----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:50:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.051052615000000 -7.893482610000002 0.000000000000000 b 2.051052615000000 7.893482610000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.812923230000001 Atomic positions (fractional): *1 Cs 0.74367765196741 0.25632234803259 0.25000000000000 132.905 2 Cs 0.25632234803259 0.74367765196741 0.75000000000000 132.905 *3 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 4 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 *5 Zn 0.46255415643742 0.53744584356258 0.25000000000000 65.380 6 Zn 0.53744584356258 0.46255415643742 0.75000000000000 65.380 *7 Se 0.38167597306114 0.61832402693886 0.05917743760019 78.960 *8 Se 0.94275285801846 0.05724714198154 0.75000000000000 78.960 9 Se 0.38167597306114 0.61832402693886 0.44082256239981 78.960 10 Se 0.05724714198154 0.94275285801846 0.25000000000000 78.960 11 Se 0.61832402693886 0.38167597306114 0.94082256239981 78.960 12 Se 0.61832402693886 0.38167597306114 0.55917743760019 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.102105230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.786965220000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.812923230000001 Atomic positions (fractional): *1 Cs 0.00000000000000 0.25632234803259 0.25000000000000 132.905 > 1 2 Cs 0.50000000000000 0.24367765196741 0.75000000000000 132.905 > 2 3 Cs 0.50000000000000 0.75632234803259 0.25000000000000 132.905 > 1 4 Cs 0.00000000000000 0.74367765196741 0.75000000000000 132.905 > 2 *5 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 3 6 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 4 7 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 3 8 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 4 *9 Zn 0.50000000000000 0.03744584356258 0.25000000000000 65.380 > 5 10 Zn 0.00000000000000 0.46255415643742 0.75000000000000 65.380 > 6 11 Zn 0.00000000000000 0.53744584356258 0.25000000000000 65.380 > 5 12 Zn 0.50000000000000 0.96255415643742 0.75000000000000 65.380 > 6 *13 Se 0.50000000000000 0.11832402693886 0.05917743760019 78.960 > 7 *14 Se 0.00000000000000 0.05724714198154 0.75000000000000 78.960 > 8 15 Se 0.50000000000000 0.11832402693886 0.44082256239981 78.960 > 9 16 Se 0.50000000000000 0.44275285801846 0.25000000000000 78.960 > 10 17 Se 0.00000000000000 0.38167597306114 0.94082256239981 78.960 > 11 18 Se 0.00000000000000 0.38167597306114 0.55917743760019 78.960 > 12 19 Se 0.00000000000000 0.61832402693886 0.05917743760019 78.960 > 7 20 Se 0.50000000000000 0.55724714198154 0.75000000000000 78.960 > 8 21 Se 0.00000000000000 0.61832402693886 0.44082256239981 78.960 > 9 22 Se 0.00000000000000 0.94275285801846 0.25000000000000 78.960 > 10 23 Se 0.50000000000000 0.88167597306114 0.94082256239981 78.960 > 11 24 Se 0.50000000000000 0.88167597306114 0.55917743760019 78.960 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.306315690000002 0.000000000000000 0.000000000000000 b 0.000000000000000 15.786965220000004 0.000000000000000 c 0.000000000000000 0.000000000000000 21.625846460000002 Atomic positions (fractional): *1 Cs 0.00000000000000 0.25632234803259 0.12500000000000 132.905 > 1 2 Cs 0.33333333333333 0.25632234803259 0.12500000000000 132.905 > 1 3 Cs 0.66666666666667 0.25632234803259 0.12500000000000 132.905 > 1 4 Cs 0.00000000000000 0.25632234803259 0.62500000000000 132.905 > 1 5 Cs 0.33333333333333 0.25632234803259 0.62500000000000 132.905 > 1 6 Cs 0.66666666666667 0.25632234803259 0.62500000000000 132.905 > 1 7 Cs 0.16666666666667 0.24367765196741 0.37500000000000 132.905 > 2 8 Cs 0.50000000000000 0.24367765196741 0.37500000000000 132.905 > 2 9 Cs 0.83333333333333 0.24367765196741 0.37500000000000 132.905 > 2 10 Cs 0.16666666666667 0.24367765196741 0.87500000000000 132.905 > 2 11 Cs 0.50000000000000 0.24367765196741 0.87500000000000 132.905 > 2 12 Cs 0.83333333333333 0.24367765196741 0.87500000000000 132.905 > 2 13 Cs 0.16666666666667 0.75632234803259 0.12500000000000 132.905 > 1 14 Cs 0.50000000000000 0.75632234803259 0.12500000000000 132.905 > 1 15 Cs 0.83333333333333 0.75632234803259 0.12500000000000 132.905 > 1 16 Cs 0.16666666666667 0.75632234803259 0.62500000000000 132.905 > 1 17 Cs 0.50000000000000 0.75632234803259 0.62500000000000 132.905 > 1 18 Cs 0.83333333333333 0.75632234803259 0.62500000000000 132.905 > 1 19 Cs 0.00000000000000 0.74367765196741 0.37500000000000 132.905 > 2 20 Cs 0.33333333333333 0.74367765196741 0.37500000000000 132.905 > 2 21 Cs 0.66666666666667 0.74367765196741 0.37500000000000 132.905 > 2 22 Cs 0.00000000000000 0.74367765196741 0.87500000000000 132.905 > 2 23 Cs 0.33333333333333 0.74367765196741 0.87500000000000 132.905 > 2 24 Cs 0.66666666666667 0.74367765196741 0.87500000000000 132.905 > 2 *25 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 3 26 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 3 27 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 3 28 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 3 29 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 3 30 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 3 31 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 4 32 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 4 33 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 4 34 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 4 35 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 4 36 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 4 37 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 3 38 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 3 39 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 3 40 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 3 41 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 3 42 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 3 43 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 4 44 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 4 45 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 4 46 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 4 47 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 4 48 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 4 *49 Zn 0.16666666666667 0.03744584356258 0.12500000000000 65.380 > 5 50 Zn 0.50000000000000 0.03744584356258 0.12500000000000 65.380 > 5 51 Zn 0.83333333333333 0.03744584356258 0.12500000000000 65.380 > 5 52 Zn 0.16666666666667 0.03744584356258 0.62500000000000 65.380 > 5 53 Zn 0.50000000000000 0.03744584356258 0.62500000000000 65.380 > 5 54 Zn 0.83333333333333 0.03744584356258 0.62500000000000 65.380 > 5 55 Zn 0.00000000000000 0.46255415643742 0.37500000000000 65.380 > 6 56 Zn 0.33333333333333 0.46255415643742 0.37500000000000 65.380 > 6 57 Zn 0.66666666666667 0.46255415643742 0.37500000000000 65.380 > 6 58 Zn 0.00000000000000 0.46255415643742 0.87500000000000 65.380 > 6 59 Zn 0.33333333333333 0.46255415643742 0.87500000000000 65.380 > 6 60 Zn 0.66666666666667 0.46255415643742 0.87500000000000 65.380 > 6 61 Zn 0.00000000000000 0.53744584356258 0.12500000000000 65.380 > 5 62 Zn 0.33333333333333 0.53744584356258 0.12500000000000 65.380 > 5 63 Zn 0.66666666666667 0.53744584356258 0.12500000000000 65.380 > 5 64 Zn 0.00000000000000 0.53744584356258 0.62500000000000 65.380 > 5 65 Zn 0.33333333333333 0.53744584356258 0.62500000000000 65.380 > 5 66 Zn 0.66666666666667 0.53744584356258 0.62500000000000 65.380 > 5 67 Zn 0.16666666666667 0.96255415643742 0.37500000000000 65.380 > 6 68 Zn 0.50000000000000 0.96255415643742 0.37500000000000 65.380 > 6 69 Zn 0.83333333333333 0.96255415643742 0.37500000000000 65.380 > 6 70 Zn 0.16666666666667 0.96255415643742 0.87500000000000 65.380 > 6 71 Zn 0.50000000000000 0.96255415643742 0.87500000000000 65.380 > 6 72 Zn 0.83333333333333 0.96255415643742 0.87500000000000 65.380 > 6 *73 Se 0.16666666666667 0.11832402693886 0.02958871880009 78.960 > 7 74 Se 0.50000000000000 0.11832402693886 0.02958871880009 78.960 > 7 75 Se 0.83333333333333 0.11832402693886 0.02958871880009 78.960 > 7 76 Se 0.16666666666667 0.11832402693886 0.52958871880009 78.960 > 7 77 Se 0.50000000000000 0.11832402693886 0.52958871880009 78.960 > 7 78 Se 0.83333333333333 0.11832402693886 0.52958871880009 78.960 > 7 *79 Se 0.00000000000000 0.05724714198154 0.37500000000000 78.960 > 8 80 Se 0.33333333333333 0.05724714198154 0.37500000000000 78.960 > 8 81 Se 0.66666666666667 0.05724714198154 0.37500000000000 78.960 > 8 82 Se 0.00000000000000 0.05724714198154 0.87500000000000 78.960 > 8 83 Se 0.33333333333333 0.05724714198154 0.87500000000000 78.960 > 8 84 Se 0.66666666666667 0.05724714198154 0.87500000000000 78.960 > 8 85 Se 0.16666666666667 0.11832402693886 0.22041128119991 78.960 > 9 86 Se 0.50000000000000 0.11832402693886 0.22041128119991 78.960 > 9 87 Se 0.83333333333333 0.11832402693886 0.22041128119991 78.960 > 9 88 Se 0.16666666666667 0.11832402693886 0.72041128119991 78.960 > 9 89 Se 0.50000000000000 0.11832402693886 0.72041128119991 78.960 > 9 90 Se 0.83333333333333 0.11832402693886 0.72041128119991 78.960 > 9 91 Se 0.16666666666667 0.44275285801846 0.12500000000000 78.960 > 10 92 Se 0.50000000000000 0.44275285801846 0.12500000000000 78.960 > 10 93 Se 0.83333333333333 0.44275285801846 0.12500000000000 78.960 > 10 94 Se 0.16666666666667 0.44275285801846 0.62500000000000 78.960 > 10 95 Se 0.50000000000000 0.44275285801846 0.62500000000000 78.960 > 10 96 Se 0.83333333333333 0.44275285801846 0.62500000000000 78.960 > 10 97 Se 0.00000000000000 0.38167597306114 0.47041128119991 78.960 > 11 98 Se 0.33333333333333 0.38167597306114 0.47041128119991 78.960 > 11 99 Se 0.66666666666667 0.38167597306114 0.47041128119991 78.960 > 11 100 Se 0.00000000000000 0.38167597306114 0.97041128119991 78.960 > 11 101 Se 0.33333333333333 0.38167597306114 0.97041128119991 78.960 > 11 102 Se 0.66666666666667 0.38167597306114 0.97041128119991 78.960 > 11 103 Se 0.00000000000000 0.38167597306114 0.27958871880009 78.960 > 12 104 Se 0.33333333333333 0.38167597306114 0.27958871880009 78.960 > 12 105 Se 0.66666666666667 0.38167597306114 0.27958871880009 78.960 > 12 106 Se 0.00000000000000 0.38167597306114 0.77958871880009 78.960 > 12 107 Se 0.33333333333333 0.38167597306114 0.77958871880009 78.960 > 12 108 Se 0.66666666666667 0.38167597306114 0.77958871880009 78.960 > 12 109 Se 0.00000000000000 0.61832402693886 0.02958871880009 78.960 > 7 110 Se 0.33333333333333 0.61832402693886 0.02958871880009 78.960 > 7 111 Se 0.66666666666667 0.61832402693886 0.02958871880009 78.960 > 7 112 Se 0.00000000000000 0.61832402693886 0.52958871880009 78.960 > 7 113 Se 0.33333333333333 0.61832402693886 0.52958871880009 78.960 > 7 114 Se 0.66666666666667 0.61832402693886 0.52958871880009 78.960 > 7 115 Se 0.16666666666667 0.55724714198154 0.37500000000000 78.960 > 8 116 Se 0.50000000000000 0.55724714198154 0.37500000000000 78.960 > 8 117 Se 0.83333333333333 0.55724714198154 0.37500000000000 78.960 > 8 118 Se 0.16666666666667 0.55724714198154 0.87500000000000 78.960 > 8 119 Se 0.50000000000000 0.55724714198154 0.87500000000000 78.960 > 8 120 Se 0.83333333333333 0.55724714198154 0.87500000000000 78.960 > 8 121 Se 0.00000000000000 0.61832402693886 0.22041128119991 78.960 > 9 122 Se 0.33333333333333 0.61832402693886 0.22041128119991 78.960 > 9 123 Se 0.66666666666667 0.61832402693886 0.22041128119991 78.960 > 9 124 Se 0.00000000000000 0.61832402693886 0.72041128119991 78.960 > 9 125 Se 0.33333333333333 0.61832402693886 0.72041128119991 78.960 > 9 126 Se 0.66666666666667 0.61832402693886 0.72041128119991 78.960 > 9 127 Se 0.00000000000000 0.94275285801846 0.12500000000000 78.960 > 10 128 Se 0.33333333333333 0.94275285801846 0.12500000000000 78.960 > 10 129 Se 0.66666666666667 0.94275285801846 0.12500000000000 78.960 > 10 130 Se 0.00000000000000 0.94275285801846 0.62500000000000 78.960 > 10 131 Se 0.33333333333333 0.94275285801846 0.62500000000000 78.960 > 10 132 Se 0.66666666666667 0.94275285801846 0.62500000000000 78.960 > 10 133 Se 0.16666666666667 0.88167597306114 0.47041128119991 78.960 > 11 134 Se 0.50000000000000 0.88167597306114 0.47041128119991 78.960 > 11 135 Se 0.83333333333333 0.88167597306114 0.47041128119991 78.960 > 11 136 Se 0.16666666666667 0.88167597306114 0.97041128119991 78.960 > 11 137 Se 0.50000000000000 0.88167597306114 0.97041128119991 78.960 > 11 138 Se 0.83333333333333 0.88167597306114 0.97041128119991 78.960 > 11 139 Se 0.16666666666667 0.88167597306114 0.27958871880009 78.960 > 12 140 Se 0.50000000000000 0.88167597306114 0.27958871880009 78.960 > 12 141 Se 0.83333333333333 0.88167597306114 0.27958871880009 78.960 > 12 142 Se 0.16666666666667 0.88167597306114 0.77958871880009 78.960 > 12 143 Se 0.50000000000000 0.88167597306114 0.77958871880009 78.960 > 12 144 Se 0.83333333333333 0.88167597306114 0.77958871880009 78.960 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7481292 0.0000000 0.0000000 0.0000000 4.5892042 0.0000000 0.0000000 0.0000000 6.4665666 -------------------------- Born effective charges -------------------------- 1 Cs 1.2077391 0.0000000 0.0000000 0.0000000 1.9889160 0.0000000 0.0000000 0.0000000 1.2887862 2 Cs 1.2077391 0.0000000 0.0000000 0.0000000 1.9889160 0.0000000 0.0000000 0.0000000 1.2887862 3 Y 4.6687715 0.0000000 0.0000000 0.0000000 1.6190203 0.3638690 0.0000000 0.5387682 4.5555077 4 Y 4.6687715 0.0000000 0.0000000 0.0000000 1.6190203 -0.3638690 0.0000000 -0.5387682 4.5555077 5 Zn 1.9730862 0.0000000 0.0000000 0.0000000 0.7629538 0.0000000 0.0000000 0.0000000 1.8414360 6 Zn 1.9730862 0.0000000 0.0000000 0.0000000 0.7629538 0.0000000 0.0000000 0.0000000 1.8414360 7 Se -2.7653780 0.0000000 0.0000000 0.0000000 -1.6144129 -0.0674625 0.0000000 -0.1544879 -2.2026457 8 Se -2.3188407 0.0000000 0.0000000 0.0000000 -1.1420643 0.0000000 0.0000000 0.0000000 -3.2804384 9 Se -2.7653780 0.0000000 0.0000000 0.0000000 -1.6144129 0.0674625 0.0000000 0.1544879 -2.2026457 10 Se -2.3188407 0.0000000 0.0000000 0.0000000 -1.1420643 0.0000000 0.0000000 0.0000000 -3.2804384 11 Se -2.7653780 0.0000000 0.0000000 0.0000000 -1.6144129 -0.0674625 0.0000000 -0.1544879 -2.2026457 12 Se -2.7653780 0.0000000 0.0000000 0.0000000 -1.6144129 0.0674625 0.0000000 0.1544879 -2.2026457 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 240 - Time: 1.625 Solver_block: 200 / 240 - Time: 1.614 Solver_block: 240 / 240 - Time: 0.723 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.993 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:50:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:50:22]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.051052615000000 -7.893482610000002 0.000000000000000 b 2.051052615000000 7.893482610000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.812923230000001 Atomic positions (fractional): 1 Cs 0.74367765196741 0.25632234803259 0.25000000000000 132.905 2 Cs 0.25632234803259 0.74367765196741 0.75000000000000 132.905 3 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 4 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 5 Zn 0.46255415643742 0.53744584356258 0.25000000000000 65.380 6 Zn 0.53744584356258 0.46255415643742 0.75000000000000 65.380 7 Se 0.38167597306114 0.61832402693886 0.05917743760019 78.960 8 Se 0.94275285801846 0.05724714198154 0.75000000000000 78.960 9 Se 0.38167597306114 0.61832402693886 0.44082256239981 78.960 10 Se 0.05724714198154 0.94275285801846 0.25000000000000 78.960 11 Se 0.61832402693886 0.38167597306114 0.94082256239981 78.960 12 Se 0.61832402693886 0.38167597306114 0.55917743760019 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.306315690000002 0.000000000000000 0.000000000000000 b 0.000000000000000 15.786965220000004 0.000000000000000 c 0.000000000000000 0.000000000000000 21.625846460000002 Atomic positions (fractional): 1 Cs 0.00000000000000 0.25632234803259 0.12500000000000 132.905 > 1 2 Cs 0.33333333333333 0.25632234803259 0.12500000000000 132.905 > 1 3 Cs 0.66666666666667 0.25632234803259 0.12500000000000 132.905 > 1 4 Cs 0.00000000000000 0.25632234803259 0.62500000000000 132.905 > 1 5 Cs 0.33333333333333 0.25632234803259 0.62500000000000 132.905 > 1 6 Cs 0.66666666666667 0.25632234803259 0.62500000000000 132.905 > 1 7 Cs 0.16666666666667 0.24367765196741 0.37500000000000 132.905 > 7 8 Cs 0.50000000000000 0.24367765196741 0.37500000000000 132.905 > 7 9 Cs 0.83333333333333 0.24367765196741 0.37500000000000 132.905 > 7 10 Cs 0.16666666666667 0.24367765196741 0.87500000000000 132.905 > 7 11 Cs 0.50000000000000 0.24367765196741 0.87500000000000 132.905 > 7 12 Cs 0.83333333333333 0.24367765196741 0.87500000000000 132.905 > 7 13 Cs 0.16666666666667 0.75632234803259 0.12500000000000 132.905 > 1 14 Cs 0.50000000000000 0.75632234803259 0.12500000000000 132.905 > 1 15 Cs 0.83333333333333 0.75632234803259 0.12500000000000 132.905 > 1 16 Cs 0.16666666666667 0.75632234803259 0.62500000000000 132.905 > 1 17 Cs 0.50000000000000 0.75632234803259 0.62500000000000 132.905 > 1 18 Cs 0.83333333333333 0.75632234803259 0.62500000000000 132.905 > 1 19 Cs 0.00000000000000 0.74367765196741 0.37500000000000 132.905 > 7 20 Cs 0.33333333333333 0.74367765196741 0.37500000000000 132.905 > 7 21 Cs 0.66666666666667 0.74367765196741 0.37500000000000 132.905 > 7 22 Cs 0.00000000000000 0.74367765196741 0.87500000000000 132.905 > 7 23 Cs 0.33333333333333 0.74367765196741 0.87500000000000 132.905 > 7 24 Cs 0.66666666666667 0.74367765196741 0.87500000000000 132.905 > 7 25 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 25 26 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 25 27 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 25 28 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 25 29 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 25 30 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 25 31 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 31 32 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 31 33 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 31 34 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 31 35 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 31 36 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 31 37 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 25 38 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 25 39 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 25 40 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 25 41 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 25 42 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 25 43 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 31 44 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 31 45 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 31 46 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 31 47 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 31 48 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 31 49 Zn 0.16666666666667 0.03744584356258 0.12500000000000 65.380 > 49 50 Zn 0.50000000000000 0.03744584356258 0.12500000000000 65.380 > 49 51 Zn 0.83333333333333 0.03744584356258 0.12500000000000 65.380 > 49 52 Zn 0.16666666666667 0.03744584356258 0.62500000000000 65.380 > 49 53 Zn 0.50000000000000 0.03744584356258 0.62500000000000 65.380 > 49 54 Zn 0.83333333333333 0.03744584356258 0.62500000000000 65.380 > 49 55 Zn 0.00000000000000 0.46255415643742 0.37500000000000 65.380 > 55 56 Zn 0.33333333333333 0.46255415643742 0.37500000000000 65.380 > 55 57 Zn 0.66666666666667 0.46255415643742 0.37500000000000 65.380 > 55 58 Zn 0.00000000000000 0.46255415643742 0.87500000000000 65.380 > 55 59 Zn 0.33333333333333 0.46255415643742 0.87500000000000 65.380 > 55 60 Zn 0.66666666666667 0.46255415643742 0.87500000000000 65.380 > 55 61 Zn 0.00000000000000 0.53744584356258 0.12500000000000 65.380 > 49 62 Zn 0.33333333333333 0.53744584356258 0.12500000000000 65.380 > 49 63 Zn 0.66666666666667 0.53744584356258 0.12500000000000 65.380 > 49 64 Zn 0.00000000000000 0.53744584356258 0.62500000000000 65.380 > 49 65 Zn 0.33333333333333 0.53744584356258 0.62500000000000 65.380 > 49 66 Zn 0.66666666666667 0.53744584356258 0.62500000000000 65.380 > 49 67 Zn 0.16666666666667 0.96255415643742 0.37500000000000 65.380 > 55 68 Zn 0.50000000000000 0.96255415643742 0.37500000000000 65.380 > 55 69 Zn 0.83333333333333 0.96255415643742 0.37500000000000 65.380 > 55 70 Zn 0.16666666666667 0.96255415643742 0.87500000000000 65.380 > 55 71 Zn 0.50000000000000 0.96255415643742 0.87500000000000 65.380 > 55 72 Zn 0.83333333333333 0.96255415643742 0.87500000000000 65.380 > 55 73 Se 0.16666666666667 0.11832402693886 0.02958871880009 78.960 > 73 74 Se 0.50000000000000 0.11832402693886 0.02958871880009 78.960 > 73 75 Se 0.83333333333333 0.11832402693886 0.02958871880009 78.960 > 73 76 Se 0.16666666666667 0.11832402693886 0.52958871880009 78.960 > 73 77 Se 0.50000000000000 0.11832402693886 0.52958871880009 78.960 > 73 78 Se 0.83333333333333 0.11832402693886 0.52958871880009 78.960 > 73 79 Se 0.00000000000000 0.05724714198154 0.37500000000000 78.960 > 79 80 Se 0.33333333333333 0.05724714198154 0.37500000000000 78.960 > 79 81 Se 0.66666666666667 0.05724714198154 0.37500000000000 78.960 > 79 82 Se 0.00000000000000 0.05724714198154 0.87500000000000 78.960 > 79 83 Se 0.33333333333333 0.05724714198154 0.87500000000000 78.960 > 79 84 Se 0.66666666666667 0.05724714198154 0.87500000000000 78.960 > 79 85 Se 0.16666666666667 0.11832402693886 0.22041128119991 78.960 > 85 86 Se 0.50000000000000 0.11832402693886 0.22041128119991 78.960 > 85 87 Se 0.83333333333333 0.11832402693886 0.22041128119991 78.960 > 85 88 Se 0.16666666666667 0.11832402693886 0.72041128119991 78.960 > 85 89 Se 0.50000000000000 0.11832402693886 0.72041128119991 78.960 > 85 90 Se 0.83333333333333 0.11832402693886 0.72041128119991 78.960 > 85 91 Se 0.16666666666667 0.44275285801846 0.12500000000000 78.960 > 91 92 Se 0.50000000000000 0.44275285801846 0.12500000000000 78.960 > 91 93 Se 0.83333333333333 0.44275285801846 0.12500000000000 78.960 > 91 94 Se 0.16666666666667 0.44275285801846 0.62500000000000 78.960 > 91 95 Se 0.50000000000000 0.44275285801846 0.62500000000000 78.960 > 91 96 Se 0.83333333333333 0.44275285801846 0.62500000000000 78.960 > 91 97 Se 0.00000000000000 0.38167597306114 0.47041128119991 78.960 > 97 98 Se 0.33333333333333 0.38167597306114 0.47041128119991 78.960 > 97 99 Se 0.66666666666667 0.38167597306114 0.47041128119991 78.960 > 97 100 Se 0.00000000000000 0.38167597306114 0.97041128119991 78.960 > 97 101 Se 0.33333333333333 0.38167597306114 0.97041128119991 78.960 > 97 102 Se 0.66666666666667 0.38167597306114 0.97041128119991 78.960 > 97 103 Se 0.00000000000000 0.38167597306114 0.27958871880009 78.960 > 103 104 Se 0.33333333333333 0.38167597306114 0.27958871880009 78.960 > 103 105 Se 0.66666666666667 0.38167597306114 0.27958871880009 78.960 > 103 106 Se 0.00000000000000 0.38167597306114 0.77958871880009 78.960 > 103 107 Se 0.33333333333333 0.38167597306114 0.77958871880009 78.960 > 103 108 Se 0.66666666666667 0.38167597306114 0.77958871880009 78.960 > 103 109 Se 0.00000000000000 0.61832402693886 0.02958871880009 78.960 > 73 110 Se 0.33333333333333 0.61832402693886 0.02958871880009 78.960 > 73 111 Se 0.66666666666667 0.61832402693886 0.02958871880009 78.960 > 73 112 Se 0.00000000000000 0.61832402693886 0.52958871880009 78.960 > 73 113 Se 0.33333333333333 0.61832402693886 0.52958871880009 78.960 > 73 114 Se 0.66666666666667 0.61832402693886 0.52958871880009 78.960 > 73 115 Se 0.16666666666667 0.55724714198154 0.37500000000000 78.960 > 79 116 Se 0.50000000000000 0.55724714198154 0.37500000000000 78.960 > 79 117 Se 0.83333333333333 0.55724714198154 0.37500000000000 78.960 > 79 118 Se 0.16666666666667 0.55724714198154 0.87500000000000 78.960 > 79 119 Se 0.50000000000000 0.55724714198154 0.87500000000000 78.960 > 79 120 Se 0.83333333333333 0.55724714198154 0.87500000000000 78.960 > 79 121 Se 0.00000000000000 0.61832402693886 0.22041128119991 78.960 > 85 122 Se 0.33333333333333 0.61832402693886 0.22041128119991 78.960 > 85 123 Se 0.66666666666667 0.61832402693886 0.22041128119991 78.960 > 85 124 Se 0.00000000000000 0.61832402693886 0.72041128119991 78.960 > 85 125 Se 0.33333333333333 0.61832402693886 0.72041128119991 78.960 > 85 126 Se 0.66666666666667 0.61832402693886 0.72041128119991 78.960 > 85 127 Se 0.00000000000000 0.94275285801846 0.12500000000000 78.960 > 91 128 Se 0.33333333333333 0.94275285801846 0.12500000000000 78.960 > 91 129 Se 0.66666666666667 0.94275285801846 0.12500000000000 78.960 > 91 130 Se 0.00000000000000 0.94275285801846 0.62500000000000 78.960 > 91 131 Se 0.33333333333333 0.94275285801846 0.62500000000000 78.960 > 91 132 Se 0.66666666666667 0.94275285801846 0.62500000000000 78.960 > 91 133 Se 0.16666666666667 0.88167597306114 0.47041128119991 78.960 > 97 134 Se 0.50000000000000 0.88167597306114 0.47041128119991 78.960 > 97 135 Se 0.83333333333333 0.88167597306114 0.47041128119991 78.960 > 97 136 Se 0.16666666666667 0.88167597306114 0.97041128119991 78.960 > 97 137 Se 0.50000000000000 0.88167597306114 0.97041128119991 78.960 > 97 138 Se 0.83333333333333 0.88167597306114 0.97041128119991 78.960 > 97 139 Se 0.16666666666667 0.88167597306114 0.27958871880009 78.960 > 103 140 Se 0.50000000000000 0.88167597306114 0.27958871880009 78.960 > 103 141 Se 0.83333333333333 0.88167597306114 0.27958871880009 78.960 > 103 142 Se 0.16666666666667 0.88167597306114 0.77958871880009 78.960 > 103 143 Se 0.50000000000000 0.88167597306114 0.77958871880009 78.960 > 103 144 Se 0.83333333333333 0.88167597306114 0.77958871880009 78.960 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.7481292 0.0000000 0.0000000 0.0000000 4.5892042 0.0000000 0.0000000 0.0000000 6.4665666 -------------------------- Born effective charges -------------------------- 1 Cs 1.2077391 0.0000000 0.0000000 0.0000000 1.9889160 0.0000000 0.0000000 0.0000000 1.2887862 2 Cs 1.2077391 0.0000000 0.0000000 0.0000000 1.9889160 0.0000000 0.0000000 0.0000000 1.2887862 3 Y 4.6687715 0.0000000 0.0000000 0.0000000 1.6190203 0.3638690 0.0000000 0.5387682 4.5555077 4 Y 4.6687715 0.0000000 0.0000000 0.0000000 1.6190203 -0.3638690 0.0000000 -0.5387682 4.5555077 5 Zn 1.9730862 0.0000000 0.0000000 0.0000000 0.7629538 0.0000000 0.0000000 0.0000000 1.8414360 6 Zn 1.9730862 0.0000000 0.0000000 0.0000000 0.7629538 0.0000000 0.0000000 0.0000000 1.8414360 7 Se -2.7653780 0.0000000 0.0000000 0.0000000 -1.6144129 -0.0674625 0.0000000 -0.1544879 -2.2026457 8 Se -2.3188407 0.0000000 0.0000000 0.0000000 -1.1420643 0.0000000 0.0000000 0.0000000 -3.2804384 9 Se -2.7653780 0.0000000 0.0000000 0.0000000 -1.6144129 0.0674625 0.0000000 0.1544879 -2.2026457 10 Se -2.3188407 0.0000000 0.0000000 0.0000000 -1.1420643 0.0000000 0.0000000 0.0000000 -3.2804384 11 Se -2.7653780 0.0000000 0.0000000 0.0000000 -1.6144129 -0.0674625 0.0000000 -0.1544879 -2.2026457 12 Se -2.7653780 0.0000000 0.0000000 0.0000000 -1.6144129 0.0674625 0.0000000 0.1544879 -2.2026457 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:50:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:50:42]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.051052615000000 -7.893482610000002 0.000000000000000 b 2.051052615000000 7.893482610000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.812923230000001 Atomic positions (fractional): 1 Cs 0.74367765196741 0.25632234803259 0.25000000000000 132.905 2 Cs 0.25632234803259 0.74367765196741 0.75000000000000 132.905 3 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 4 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 5 Zn 0.46255415643742 0.53744584356258 0.25000000000000 65.380 6 Zn 0.53744584356258 0.46255415643742 0.75000000000000 65.380 7 Se 0.38167597306114 0.61832402693886 0.05917743760019 78.960 8 Se 0.94275285801846 0.05724714198154 0.75000000000000 78.960 9 Se 0.38167597306114 0.61832402693886 0.44082256239981 78.960 10 Se 0.05724714198154 0.94275285801846 0.25000000000000 78.960 11 Se 0.61832402693886 0.38167597306114 0.94082256239981 78.960 12 Se 0.61832402693886 0.38167597306114 0.55917743760019 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.306315690000002 0.000000000000000 0.000000000000000 b 0.000000000000000 15.786965220000004 0.000000000000000 c 0.000000000000000 0.000000000000000 21.625846460000002 Atomic positions (fractional): 1 Cs 0.00000000000000 0.25632234803259 0.12500000000000 132.905 > 1 2 Cs 0.33333333333333 0.25632234803259 0.12500000000000 132.905 > 1 3 Cs 0.66666666666667 0.25632234803259 0.12500000000000 132.905 > 1 4 Cs 0.00000000000000 0.25632234803259 0.62500000000000 132.905 > 1 5 Cs 0.33333333333333 0.25632234803259 0.62500000000000 132.905 > 1 6 Cs 0.66666666666667 0.25632234803259 0.62500000000000 132.905 > 1 7 Cs 0.16666666666667 0.24367765196741 0.37500000000000 132.905 > 7 8 Cs 0.50000000000000 0.24367765196741 0.37500000000000 132.905 > 7 9 Cs 0.83333333333333 0.24367765196741 0.37500000000000 132.905 > 7 10 Cs 0.16666666666667 0.24367765196741 0.87500000000000 132.905 > 7 11 Cs 0.50000000000000 0.24367765196741 0.87500000000000 132.905 > 7 12 Cs 0.83333333333333 0.24367765196741 0.87500000000000 132.905 > 7 13 Cs 0.16666666666667 0.75632234803259 0.12500000000000 132.905 > 1 14 Cs 0.50000000000000 0.75632234803259 0.12500000000000 132.905 > 1 15 Cs 0.83333333333333 0.75632234803259 0.12500000000000 132.905 > 1 16 Cs 0.16666666666667 0.75632234803259 0.62500000000000 132.905 > 1 17 Cs 0.50000000000000 0.75632234803259 0.62500000000000 132.905 > 1 18 Cs 0.83333333333333 0.75632234803259 0.62500000000000 132.905 > 1 19 Cs 0.00000000000000 0.74367765196741 0.37500000000000 132.905 > 7 20 Cs 0.33333333333333 0.74367765196741 0.37500000000000 132.905 > 7 21 Cs 0.66666666666667 0.74367765196741 0.37500000000000 132.905 > 7 22 Cs 0.00000000000000 0.74367765196741 0.87500000000000 132.905 > 7 23 Cs 0.33333333333333 0.74367765196741 0.87500000000000 132.905 > 7 24 Cs 0.66666666666667 0.74367765196741 0.87500000000000 132.905 > 7 25 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 25 26 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 25 27 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 25 28 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 25 29 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 25 30 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 25 31 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 31 32 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 31 33 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 31 34 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 31 35 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 31 36 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 31 37 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 25 38 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 25 39 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 25 40 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 25 41 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 25 42 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 25 43 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 31 44 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 31 45 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 31 46 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 31 47 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 31 48 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 31 49 Zn 0.16666666666667 0.03744584356258 0.12500000000000 65.380 > 49 50 Zn 0.50000000000000 0.03744584356258 0.12500000000000 65.380 > 49 51 Zn 0.83333333333333 0.03744584356258 0.12500000000000 65.380 > 49 52 Zn 0.16666666666667 0.03744584356258 0.62500000000000 65.380 > 49 53 Zn 0.50000000000000 0.03744584356258 0.62500000000000 65.380 > 49 54 Zn 0.83333333333333 0.03744584356258 0.62500000000000 65.380 > 49 55 Zn 0.00000000000000 0.46255415643742 0.37500000000000 65.380 > 55 56 Zn 0.33333333333333 0.46255415643742 0.37500000000000 65.380 > 55 57 Zn 0.66666666666667 0.46255415643742 0.37500000000000 65.380 > 55 58 Zn 0.00000000000000 0.46255415643742 0.87500000000000 65.380 > 55 59 Zn 0.33333333333333 0.46255415643742 0.87500000000000 65.380 > 55 60 Zn 0.66666666666667 0.46255415643742 0.87500000000000 65.380 > 55 61 Zn 0.00000000000000 0.53744584356258 0.12500000000000 65.380 > 49 62 Zn 0.33333333333333 0.53744584356258 0.12500000000000 65.380 > 49 63 Zn 0.66666666666667 0.53744584356258 0.12500000000000 65.380 > 49 64 Zn 0.00000000000000 0.53744584356258 0.62500000000000 65.380 > 49 65 Zn 0.33333333333333 0.53744584356258 0.62500000000000 65.380 > 49 66 Zn 0.66666666666667 0.53744584356258 0.62500000000000 65.380 > 49 67 Zn 0.16666666666667 0.96255415643742 0.37500000000000 65.380 > 55 68 Zn 0.50000000000000 0.96255415643742 0.37500000000000 65.380 > 55 69 Zn 0.83333333333333 0.96255415643742 0.37500000000000 65.380 > 55 70 Zn 0.16666666666667 0.96255415643742 0.87500000000000 65.380 > 55 71 Zn 0.50000000000000 0.96255415643742 0.87500000000000 65.380 > 55 72 Zn 0.83333333333333 0.96255415643742 0.87500000000000 65.380 > 55 73 Se 0.16666666666667 0.11832402693886 0.02958871880009 78.960 > 73 74 Se 0.50000000000000 0.11832402693886 0.02958871880009 78.960 > 73 75 Se 0.83333333333333 0.11832402693886 0.02958871880009 78.960 > 73 76 Se 0.16666666666667 0.11832402693886 0.52958871880009 78.960 > 73 77 Se 0.50000000000000 0.11832402693886 0.52958871880009 78.960 > 73 78 Se 0.83333333333333 0.11832402693886 0.52958871880009 78.960 > 73 79 Se 0.00000000000000 0.05724714198154 0.37500000000000 78.960 > 79 80 Se 0.33333333333333 0.05724714198154 0.37500000000000 78.960 > 79 81 Se 0.66666666666667 0.05724714198154 0.37500000000000 78.960 > 79 82 Se 0.00000000000000 0.05724714198154 0.87500000000000 78.960 > 79 83 Se 0.33333333333333 0.05724714198154 0.87500000000000 78.960 > 79 84 Se 0.66666666666667 0.05724714198154 0.87500000000000 78.960 > 79 85 Se 0.16666666666667 0.11832402693886 0.22041128119991 78.960 > 85 86 Se 0.50000000000000 0.11832402693886 0.22041128119991 78.960 > 85 87 Se 0.83333333333333 0.11832402693886 0.22041128119991 78.960 > 85 88 Se 0.16666666666667 0.11832402693886 0.72041128119991 78.960 > 85 89 Se 0.50000000000000 0.11832402693886 0.72041128119991 78.960 > 85 90 Se 0.83333333333333 0.11832402693886 0.72041128119991 78.960 > 85 91 Se 0.16666666666667 0.44275285801846 0.12500000000000 78.960 > 91 92 Se 0.50000000000000 0.44275285801846 0.12500000000000 78.960 > 91 93 Se 0.83333333333333 0.44275285801846 0.12500000000000 78.960 > 91 94 Se 0.16666666666667 0.44275285801846 0.62500000000000 78.960 > 91 95 Se 0.50000000000000 0.44275285801846 0.62500000000000 78.960 > 91 96 Se 0.83333333333333 0.44275285801846 0.62500000000000 78.960 > 91 97 Se 0.00000000000000 0.38167597306114 0.47041128119991 78.960 > 97 98 Se 0.33333333333333 0.38167597306114 0.47041128119991 78.960 > 97 99 Se 0.66666666666667 0.38167597306114 0.47041128119991 78.960 > 97 100 Se 0.00000000000000 0.38167597306114 0.97041128119991 78.960 > 97 101 Se 0.33333333333333 0.38167597306114 0.97041128119991 78.960 > 97 102 Se 0.66666666666667 0.38167597306114 0.97041128119991 78.960 > 97 103 Se 0.00000000000000 0.38167597306114 0.27958871880009 78.960 > 103 104 Se 0.33333333333333 0.38167597306114 0.27958871880009 78.960 > 103 105 Se 0.66666666666667 0.38167597306114 0.27958871880009 78.960 > 103 106 Se 0.00000000000000 0.38167597306114 0.77958871880009 78.960 > 103 107 Se 0.33333333333333 0.38167597306114 0.77958871880009 78.960 > 103 108 Se 0.66666666666667 0.38167597306114 0.77958871880009 78.960 > 103 109 Se 0.00000000000000 0.61832402693886 0.02958871880009 78.960 > 73 110 Se 0.33333333333333 0.61832402693886 0.02958871880009 78.960 > 73 111 Se 0.66666666666667 0.61832402693886 0.02958871880009 78.960 > 73 112 Se 0.00000000000000 0.61832402693886 0.52958871880009 78.960 > 73 113 Se 0.33333333333333 0.61832402693886 0.52958871880009 78.960 > 73 114 Se 0.66666666666667 0.61832402693886 0.52958871880009 78.960 > 73 115 Se 0.16666666666667 0.55724714198154 0.37500000000000 78.960 > 79 116 Se 0.50000000000000 0.55724714198154 0.37500000000000 78.960 > 79 117 Se 0.83333333333333 0.55724714198154 0.37500000000000 78.960 > 79 118 Se 0.16666666666667 0.55724714198154 0.87500000000000 78.960 > 79 119 Se 0.50000000000000 0.55724714198154 0.87500000000000 78.960 > 79 120 Se 0.83333333333333 0.55724714198154 0.87500000000000 78.960 > 79 121 Se 0.00000000000000 0.61832402693886 0.22041128119991 78.960 > 85 122 Se 0.33333333333333 0.61832402693886 0.22041128119991 78.960 > 85 123 Se 0.66666666666667 0.61832402693886 0.22041128119991 78.960 > 85 124 Se 0.00000000000000 0.61832402693886 0.72041128119991 78.960 > 85 125 Se 0.33333333333333 0.61832402693886 0.72041128119991 78.960 > 85 126 Se 0.66666666666667 0.61832402693886 0.72041128119991 78.960 > 85 127 Se 0.00000000000000 0.94275285801846 0.12500000000000 78.960 > 91 128 Se 0.33333333333333 0.94275285801846 0.12500000000000 78.960 > 91 129 Se 0.66666666666667 0.94275285801846 0.12500000000000 78.960 > 91 130 Se 0.00000000000000 0.94275285801846 0.62500000000000 78.960 > 91 131 Se 0.33333333333333 0.94275285801846 0.62500000000000 78.960 > 91 132 Se 0.66666666666667 0.94275285801846 0.62500000000000 78.960 > 91 133 Se 0.16666666666667 0.88167597306114 0.47041128119991 78.960 > 97 134 Se 0.50000000000000 0.88167597306114 0.47041128119991 78.960 > 97 135 Se 0.83333333333333 0.88167597306114 0.47041128119991 78.960 > 97 136 Se 0.16666666666667 0.88167597306114 0.97041128119991 78.960 > 97 137 Se 0.50000000000000 0.88167597306114 0.97041128119991 78.960 > 97 138 Se 0.83333333333333 0.88167597306114 0.97041128119991 78.960 > 97 139 Se 0.16666666666667 0.88167597306114 0.27958871880009 78.960 > 103 140 Se 0.50000000000000 0.88167597306114 0.27958871880009 78.960 > 103 141 Se 0.83333333333333 0.88167597306114 0.27958871880009 78.960 > 103 142 Se 0.16666666666667 0.88167597306114 0.77958871880009 78.960 > 103 143 Se 0.50000000000000 0.88167597306114 0.77958871880009 78.960 > 103 144 Se 0.83333333333333 0.88167597306114 0.77958871880009 78.960 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.7481292 0.0000000 0.0000000 0.0000000 4.5892042 0.0000000 0.0000000 0.0000000 6.4665666 -------------------------- Born effective charges -------------------------- 1 Cs 1.2077391 0.0000000 0.0000000 0.0000000 1.9889160 0.0000000 0.0000000 0.0000000 1.2887862 2 Cs 1.2077391 0.0000000 0.0000000 0.0000000 1.9889160 0.0000000 0.0000000 0.0000000 1.2887862 3 Y 4.6687715 0.0000000 0.0000000 0.0000000 1.6190203 0.3638690 0.0000000 0.5387682 4.5555077 4 Y 4.6687715 0.0000000 0.0000000 0.0000000 1.6190203 -0.3638690 0.0000000 -0.5387682 4.5555077 5 Zn 1.9730862 0.0000000 0.0000000 0.0000000 0.7629538 0.0000000 0.0000000 0.0000000 1.8414360 6 Zn 1.9730862 0.0000000 0.0000000 0.0000000 0.7629538 0.0000000 0.0000000 0.0000000 1.8414360 7 Se -2.7653780 0.0000000 0.0000000 0.0000000 -1.6144129 -0.0674625 0.0000000 -0.1544879 -2.2026457 8 Se -2.3188407 0.0000000 0.0000000 0.0000000 -1.1420643 0.0000000 0.0000000 0.0000000 -3.2804384 9 Se -2.7653780 0.0000000 0.0000000 0.0000000 -1.6144129 0.0674625 0.0000000 0.1544879 -2.2026457 10 Se -2.3188407 0.0000000 0.0000000 0.0000000 -1.1420643 0.0000000 0.0000000 0.0000000 -3.2804384 11 Se -2.7653780 0.0000000 0.0000000 0.0000000 -1.6144129 -0.0674625 0.0000000 -0.1544879 -2.2026457 12 Se -2.7653780 0.0000000 0.0000000 0.0000000 -1.6144129 0.0674625 0.0000000 0.1544879 -2.2026457 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 5 ] 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: 0.59, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 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 0.982 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 0.000) 0.000 1.394 ( 0.000 0.000 0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 0.000) 0.000 2.505 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 4.683 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.893 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 7.082 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 18.301 -0.576 0.000) 18.310 0.393 ( 19.942 -1.325 0.000) 19.985 0.654 ( 31.805 -6.712 0.000) 32.506 1.032 ( 5.152 0.174 0.000) 5.155 1.324 ( -4.877 1.776 0.000) 5.190 1.386 ( 4.702 0.068 0.000) 4.702 1.463 ( 3.549 -0.729 0.000) 3.623 1.750 ( 4.646 1.411 0.000) 4.855 1.880 ( 12.708 0.465 0.000) 12.717 1.916 ( 0.070 -1.042 0.000) 1.045 2.131 ( -3.999 1.265 0.000) 4.194 2.180 ( -2.874 -0.317 0.000) 2.892 2.252 ( 1.351 -1.077 0.000) 1.728 2.418 ( 1.092 0.013 0.000) 1.092 2.449 ( 3.588 -0.947 0.000) 3.711 2.623 ( 11.168 -0.075 0.000) 11.168 3.081 ( -1.275 0.151 0.000) 1.284 3.742 ( 3.274 -0.055 0.000) 3.274 3.785 ( -2.018 -0.524 0.000) 2.085 4.079 ( 4.373 -0.186 0.000) 4.377 4.209 ( -3.760 -0.083 0.000) 3.761 4.513 ( 9.228 0.035 0.000) 9.228 4.514 ( -4.185 -0.137 0.000) 4.187 4.659 ( 2.793 0.009 0.000) 2.793 4.723 ( 4.728 0.083 0.000) 4.728 4.947 ( 0.548 -0.026 0.000) 0.549 4.967 ( -1.597 0.069 0.000) 1.598 4.971 ( -0.359 -0.001 0.000) 0.359 5.422 ( -1.734 0.239 0.000) 1.751 5.427 ( -0.865 -0.254 0.000) 0.902 5.858 ( -3.117 2.017 0.000) 3.713 5.977 ( -3.883 8.520 0.000) 9.363 6.327 ( 6.491 25.412 0.000) 26.228 6.875 ( -9.328 -13.963 0.000) 16.792 6.890 ( 2.137 0.993 0.000) 2.356 7.050 ( -3.608 -1.016 0.000) 3.749 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 19.194 1.659 0.000) 19.266 0.740 ( 15.490 -1.652 0.000) 15.578 1.169 ( 9.711 0.530 0.000) 9.725 1.226 ( 24.354 -6.697 0.000) 25.258 1.234 ( -3.402 2.424 0.000) 4.177 1.498 ( 7.388 0.833 0.000) 7.435 1.571 ( 7.090 -1.668 0.000) 7.283 1.850 ( 6.873 5.336 0.000) 8.701 1.921 ( 0.601 -0.898 0.000) 1.081 2.055 ( -2.647 1.491 0.000) 3.038 2.103 ( 7.527 0.184 0.000) 7.529 2.135 ( -1.869 -2.005 0.000) 2.741 2.268 ( 0.674 0.486 0.000) 0.831 2.511 ( 11.159 0.096 0.000) 11.159 2.561 ( 7.522 -1.280 0.000) 7.630 2.880 ( 15.251 0.116 0.000) 15.252 3.045 ( -2.416 0.212 0.000) 2.425 3.747 ( -1.974 -0.850 0.000) 2.149 3.818 ( 4.248 -0.161 0.000) 4.251 4.150 ( -2.572 -0.181 0.000) 2.578 4.191 ( 6.739 -0.693 0.000) 6.775 4.441 ( -3.378 -0.118 0.000) 3.380 4.695 ( 9.437 0.124 0.000) 9.438 4.706 ( 1.830 0.155 0.000) 1.837 4.786 ( 1.334 0.053 0.000) 1.335 4.919 ( -3.524 0.036 0.000) 3.525 4.959 ( 0.307 -0.061 0.000) 0.313 4.988 ( 2.762 -0.114 0.000) 2.764 5.372 ( -3.152 -0.091 0.000) 3.153 5.414 ( -0.568 0.077 0.000) 0.573 5.760 ( -6.138 2.823 0.000) 6.756 5.816 ( -10.207 -0.379 0.000) 10.214 6.330 ( 4.156 14.754 0.000) 15.328 6.729 ( -10.923 -5.682 0.000) 12.312 6.929 ( 1.026 2.291 0.000) 2.510 6.975 ( -3.144 -2.193 0.000) 3.834 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 6.488 -0.857 0.000) 6.544 1.035 ( 18.746 4.287 0.000) 19.230 1.178 ( -1.462 1.333 0.000) 1.979 1.397 ( 14.574 0.377 0.000) 14.579 1.567 ( 10.248 -1.100 0.000) 10.307 1.659 ( 7.841 -1.588 0.000) 8.001 1.717 ( 6.651 -2.470 0.000) 7.094 1.881 ( 0.052 8.650 0.000) 8.650 1.952 ( 2.515 -0.508 0.000) 2.566 2.039 ( 0.558 1.015 0.000) 1.158 2.146 ( -1.111 -0.116 0.000) 1.117 2.230 ( 11.896 -4.656 0.000) 12.775 2.283 ( 1.341 -1.850 0.000) 2.285 2.728 ( 9.145 -1.294 0.000) 9.236 2.825 ( 19.966 0.304 0.000) 19.968 2.988 ( -3.642 0.105 0.000) 3.644 3.154 ( 12.965 0.096 0.000) 12.966 3.725 ( -0.779 -0.669 0.000) 1.027 3.883 ( 2.007 -0.189 0.000) 2.016 4.114 ( -1.257 -0.146 0.000) 1.265 4.306 ( 4.037 -1.004 0.000) 4.160 4.404 ( -0.049 0.003 0.000) 0.049 4.724 ( 0.314 0.377 0.000) 0.491 4.781 ( -0.960 0.080 0.000) 0.963 4.836 ( -5.104 -0.071 0.000) 5.105 4.847 ( 6.645 0.134 0.000) 6.646 4.940 ( -2.559 0.044 0.000) 2.559 5.063 ( 4.194 -0.193 0.000) 4.199 5.316 ( -2.666 -0.123 0.000) 2.669 5.406 ( -0.302 0.099 0.000) 0.318 5.603 ( -8.127 0.831 0.000) 8.169 5.644 ( -8.404 0.116 0.000) 8.405 6.332 ( 1.996 9.325 0.000) 9.536 6.539 ( -10.861 -2.662 0.000) 11.182 6.848 ( -5.788 -0.655 0.000) 5.825 7.016 ( 3.856 0.973 0.000) 3.977 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 1.113 0.538 0.000) 1.236 1.157 ( -1.178 -0.518 0.000) 1.287 1.340 ( 16.299 6.916 0.000) 17.705 1.676 ( 14.150 -0.035 0.000) 14.150 1.680 ( 1.549 2.435 0.000) 2.886 1.738 ( -3.297 6.532 0.000) 7.317 1.767 ( 6.257 2.239 0.000) 6.646 1.930 ( 6.163 -7.030 0.000) 9.349 2.024 ( 5.277 0.053 0.000) 5.277 2.075 ( 3.273 -1.982 0.000) 3.826 2.108 ( -2.574 -0.426 0.000) 2.609 2.272 ( -2.080 -2.499 0.000) 3.251 2.572 ( 17.493 -3.365 0.000) 17.814 2.901 ( 8.380 -0.910 0.000) 8.429 2.905 ( -5.405 -0.119 0.000) 5.407 3.185 ( 17.303 0.309 0.000) 17.306 3.333 ( 5.685 -0.181 0.000) 5.688 3.722 ( 0.162 -0.128 0.000) 0.206 3.882 ( -2.208 -0.066 0.000) 2.209 4.113 ( 1.411 0.019 0.000) 1.411 4.310 ( -4.798 -0.748 0.000) 4.856 4.458 ( 6.103 0.149 0.000) 6.105 4.721 ( -0.102 0.349 0.000) 0.364 4.744 ( -4.391 -0.092 0.000) 4.392 4.772 ( 0.423 0.287 0.000) 0.512 4.887 ( -1.853 0.217 0.000) 1.866 4.944 ( 3.918 0.061 0.000) 3.918 5.123 ( 1.854 -0.189 0.000) 1.863 5.279 ( -1.304 -0.162 0.000) 1.314 5.396 ( -0.891 0.058 0.000) 0.893 5.479 ( -8.196 0.545 0.000) 8.214 5.501 ( -3.197 -0.341 0.000) 3.216 6.287 ( -5.048 2.792 0.000) 5.769 6.384 ( -4.272 1.767 0.000) 4.623 6.751 ( -4.738 -0.785 0.000) 4.802 7.079 ( 3.243 1.243 0.000) 3.473 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.313 0.164 0.000) 0.353 1.127 ( -2.288 -0.514 0.000) 2.345 1.534 ( 4.084 9.064 0.000) 9.942 1.654 ( 3.143 3.874 0.000) 4.988 1.667 ( -0.548 2.633 0.000) 2.689 1.881 ( 5.609 2.019 0.000) 5.961 1.886 ( 7.477 0.147 0.000) 7.479 2.064 ( 3.569 -6.787 0.000) 7.669 2.065 ( -2.031 -0.497 0.000) 2.091 2.166 ( 10.080 0.032 0.000) 10.081 2.172 ( 4.867 -3.636 0.000) 6.075 2.219 ( -4.282 -2.736 0.000) 5.082 2.782 ( -7.858 -0.281 0.000) 7.863 2.865 ( 11.628 -1.386 0.000) 11.710 3.036 ( 5.383 -0.191 0.000) 5.386 3.382 ( 0.291 -0.574 0.000) 0.643 3.436 ( 9.118 0.191 0.000) 9.120 3.733 ( 1.062 0.428 0.000) 1.145 3.815 ( -4.227 0.074 0.000) 4.227 4.159 ( -9.909 -0.678 0.000) 9.932 4.174 ( 4.899 0.162 0.000) 4.901 4.615 ( 9.865 0.145 0.000) 9.866 4.682 ( -2.167 -0.018 0.000) 2.167 4.733 ( 1.557 0.169 0.000) 1.566 4.802 ( 2.903 0.473 0.000) 2.941 4.870 ( -0.550 0.355 0.000) 0.655 5.003 ( 2.573 -0.017 0.000) 2.573 5.129 ( -1.290 -0.097 0.000) 1.293 5.266 ( -0.316 -0.182 0.000) 0.365 5.317 ( -8.334 0.034 0.000) 8.334 5.367 ( -2.139 0.011 0.000) 2.139 5.491 ( 1.060 -0.390 0.000) 1.130 6.148 ( -7.341 -0.181 0.000) 7.343 6.338 ( -0.765 2.891 0.000) 2.990 6.682 ( -2.918 -0.550 0.000) 2.969 7.122 ( 1.865 0.949 0.000) 2.092 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.611 -0.385 0.000) 0.722 1.085 ( -1.725 0.170 0.000) 1.733 1.476 ( -2.035 3.034 0.000) 3.654 1.650 ( -0.241 0.788 0.000) 0.824 1.767 ( 5.539 3.207 0.000) 6.401 1.961 ( 4.898 2.440 0.000) 5.472 1.966 ( 1.816 0.157 0.000) 1.823 2.040 ( -0.711 -0.228 0.000) 0.746 2.059 ( -6.616 -4.962 0.000) 8.270 2.212 ( 1.898 -1.406 0.000) 2.362 2.256 ( 1.978 -1.544 0.000) 2.509 2.376 ( 10.889 0.011 0.000) 10.889 2.616 ( -9.414 -0.210 0.000) 9.417 3.010 ( 3.610 -0.164 0.000) 3.613 3.100 ( 1.576 0.152 0.000) 1.583 3.381 ( -0.241 -0.460 0.000) 0.520 3.536 ( 2.260 0.061 0.000) 2.261 3.751 ( -1.976 0.060 0.000) 1.977 3.755 ( 1.177 0.455 0.000) 1.262 4.009 ( -5.056 -0.548 0.000) 5.085 4.260 ( 3.092 0.098 0.000) 3.093 4.658 ( -0.573 0.011 0.000) 0.573 4.768 ( 1.823 -0.018 0.000) 1.823 4.785 ( 6.698 -0.010 0.000) 6.698 4.849 ( -0.717 0.289 0.000) 0.773 4.858 ( 1.720 0.364 0.000) 1.758 5.041 ( 1.298 -0.026 0.000) 1.299 5.085 ( -2.669 0.060 0.000) 2.670 5.188 ( -4.477 -0.263 0.000) 4.485 5.265 ( -0.006 -0.085 0.000) 0.085 5.327 ( -1.577 -0.003 0.000) 1.577 5.521 ( 1.315 -0.171 0.000) 1.326 6.044 ( -3.277 -0.116 0.000) 3.279 6.317 ( -0.385 1.037 0.000) 1.106 6.647 ( -0.971 -0.195 0.000) 0.991 7.141 ( 0.565 0.351 0.000) 0.666 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 19.779 -0.000 0.000) 19.779 0.732 ( 15.675 -0.000 0.000) 15.675 1.171 ( 9.716 -0.000 0.000) 9.716 1.191 ( 25.276 -0.000 0.000) 25.276 1.246 ( -3.724 0.000 0.000) 3.724 1.503 ( 7.232 -0.000 0.000) 7.232 1.562 ( 7.216 -0.000 0.000) 7.216 1.878 ( 8.911 -0.000 0.000) 8.911 1.916 ( 0.718 -0.000 0.000) 0.718 2.060 ( -4.409 0.000 0.000) 4.409 2.104 ( 7.472 -0.000 0.000) 7.472 2.125 ( -2.200 0.000 0.000) 2.200 2.271 ( 0.448 -0.000 0.000) 0.448 2.511 ( 11.208 -0.000 0.000) 11.208 2.555 ( 7.630 -0.000 0.000) 7.630 2.880 ( 15.271 -0.000 0.000) 15.271 3.046 ( -2.446 0.000 0.000) 2.446 3.743 ( -1.892 0.000 0.000) 1.892 3.817 ( 4.243 -0.000 0.000) 4.243 4.150 ( -2.561 0.000 0.000) 2.561 4.188 ( 6.681 -0.000 0.000) 6.681 4.440 ( -3.343 0.000 0.000) 3.343 4.695 ( 9.438 -0.000 0.000) 9.438 4.707 ( 1.872 -0.000 0.000) 1.872 4.786 ( 1.329 -0.000 0.000) 1.329 4.920 ( -3.553 0.000 0.000) 3.553 4.958 ( 0.320 -0.000 0.000) 0.320 4.988 ( 2.745 -0.000 0.000) 2.745 5.372 ( -3.159 0.000 0.000) 3.159 5.415 ( -0.558 0.000 0.000) 0.558 5.775 ( -5.952 0.000 0.000) 5.952 5.813 ( -11.414 0.000 0.000) 11.414 6.413 ( 0.580 -0.000 0.000) 0.580 6.692 ( -9.190 0.000 0.000) 9.190 6.949 ( 3.714 -0.000 0.000) 3.714 6.956 ( -5.793 0.000 0.000) 5.793 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 7.177 -0.305 0.000) 7.183 1.068 ( 19.477 1.987 0.000) 19.578 1.187 ( -2.323 0.486 0.000) 2.374 1.399 ( 14.351 0.131 0.000) 14.352 1.553 ( 13.066 -1.177 0.000) 13.119 1.647 ( 7.932 -0.592 0.000) 7.954 1.703 ( 6.160 -0.651 0.000) 6.195 1.949 ( 2.793 -0.188 0.000) 2.800 1.953 ( -4.135 5.068 0.000) 6.541 2.041 ( 1.525 -0.575 0.000) 1.630 2.145 ( -1.225 -0.041 0.000) 1.226 2.191 ( 14.238 -2.500 0.000) 14.456 2.271 ( -0.553 -0.696 0.000) 0.889 2.719 ( 9.340 -0.473 0.000) 9.352 2.827 ( 19.974 0.110 0.000) 19.975 2.989 ( -3.720 0.038 0.000) 3.720 3.155 ( 12.894 0.035 0.000) 12.894 3.721 ( -0.564 -0.244 0.000) 0.614 3.881 ( 2.045 -0.069 0.000) 2.046 4.113 ( -1.201 -0.053 0.000) 1.203 4.299 ( 4.147 -0.346 0.000) 4.161 4.404 ( 0.011 0.000 0.000) 0.011 4.727 ( 0.342 0.145 0.000) 0.371 4.782 ( -0.943 0.024 0.000) 0.943 4.836 ( -5.131 -0.026 0.000) 5.131 4.848 ( 6.618 0.049 0.000) 6.618 4.940 ( -2.497 0.017 0.000) 2.497 5.061 ( 4.198 -0.072 0.000) 4.199 5.315 ( -2.663 -0.044 0.000) 2.663 5.407 ( -0.318 0.035 0.000) 0.320 5.609 ( -8.992 0.331 0.000) 8.998 5.644 ( -7.946 -0.012 0.000) 7.946 6.405 ( -0.045 5.043 0.000) 5.043 6.511 ( -10.317 -2.598 0.000) 10.639 6.843 ( -5.918 -0.222 0.000) 5.922 7.023 ( 4.032 0.338 0.000) 4.046 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 1.306 0.359 0.000) 1.355 1.152 ( -1.589 -0.347 0.000) 1.626 1.399 ( 17.175 4.752 0.000) 17.821 1.676 ( 14.098 -0.017 0.000) 14.098 1.699 ( 2.008 1.424 0.000) 2.461 1.776 ( 5.257 2.019 0.000) 5.631 1.802 ( 0.930 3.467 0.000) 3.590 1.870 ( 2.298 -4.719 0.000) 5.249 2.025 ( 5.420 0.033 0.000) 5.420 2.060 ( 1.800 -1.083 0.000) 2.101 2.104 ( -2.648 -0.244 0.000) 2.659 2.248 ( -2.627 -2.097 0.000) 3.361 2.546 ( 18.690 -1.971 0.000) 18.794 2.894 ( 8.701 -0.499 0.000) 8.715 2.904 ( -5.492 -0.066 0.000) 5.492 3.188 ( 17.249 0.175 0.000) 17.250 3.331 ( 5.547 -0.107 0.000) 5.548 3.721 ( 0.424 -0.070 0.000) 0.430 3.881 ( -2.135 -0.039 0.000) 2.135 4.113 ( 1.489 0.011 0.000) 1.489 4.305 ( -4.611 -0.412 0.000) 4.629 4.459 ( 6.118 0.085 0.000) 6.119 4.724 ( -0.208 0.200 0.000) 0.289 4.743 ( -4.365 -0.052 0.000) 4.366 4.774 ( 0.537 0.174 0.000) 0.565 4.889 ( -1.813 0.116 0.000) 1.817 4.944 ( 3.876 0.035 0.000) 3.876 5.122 ( 1.879 -0.117 0.000) 1.882 5.278 ( -1.313 -0.092 0.000) 1.317 5.397 ( -0.917 0.033 0.000) 0.917 5.483 ( -8.569 0.345 0.000) 8.576 5.499 ( -3.105 -0.242 0.000) 3.115 6.306 ( -8.630 1.205 0.000) 8.714 6.401 ( -1.823 1.371 0.000) 2.281 6.745 ( -4.628 -0.419 0.000) 4.647 7.089 ( 3.122 0.678 0.000) 3.194 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -0.089 0.132 0.000) 0.159 1.122 ( -1.935 -0.377 0.000) 1.971 1.621 ( 2.541 8.504 0.000) 8.875 1.680 ( 0.073 1.843 0.000) 1.845 1.698 ( 1.752 3.153 0.000) 3.607 1.887 ( 7.609 0.106 0.000) 7.610 1.901 ( 5.483 1.972 0.000) 5.827 1.997 ( 3.782 -6.798 0.000) 7.779 2.060 ( -1.981 -0.361 0.000) 2.014 2.137 ( 4.807 -3.450 0.000) 5.917 2.167 ( 9.996 0.025 0.000) 9.996 2.195 ( -3.325 -2.121 0.000) 3.944 2.780 ( -7.874 -0.197 0.000) 7.876 2.853 ( 12.457 -1.014 0.000) 12.498 3.034 ( 5.719 -0.119 0.000) 5.721 3.377 ( 0.197 -0.370 0.000) 0.419 3.437 ( 9.048 0.135 0.000) 9.049 3.736 ( 1.217 0.283 0.000) 1.249 3.815 ( -4.194 0.051 0.000) 4.194 4.153 ( -9.953 -0.490 0.000) 9.965 4.176 ( 4.918 0.116 0.000) 4.919 4.617 ( 9.835 0.111 0.000) 9.836 4.682 ( -2.135 -0.014 0.000) 2.135 4.734 ( 1.471 0.126 0.000) 1.477 4.806 ( 2.918 0.358 0.000) 2.940 4.873 ( -0.540 0.225 0.000) 0.585 5.002 ( 2.550 -0.012 0.000) 2.550 5.128 ( -1.221 -0.089 0.000) 1.224 5.264 ( -0.294 -0.129 0.000) 0.321 5.317 ( -8.562 0.029 0.000) 8.562 5.368 ( -2.154 0.008 0.000) 2.154 5.488 ( 1.120 -0.266 0.000) 1.151 6.147 ( -7.470 -0.070 0.000) 7.470 6.363 ( -1.555 1.985 0.000) 2.522 6.677 ( -2.754 -0.376 0.000) 2.779 7.130 ( 1.610 0.659 0.000) 1.740 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.794 -0.198 0.000) 0.818 1.086 ( -1.727 0.017 0.000) 1.727 1.511 ( -4.535 3.996 0.000) 6.044 1.653 ( -1.385 -0.183 0.000) 1.397 1.797 ( 2.504 2.813 0.000) 3.766 1.967 ( 1.716 0.176 0.000) 1.725 1.985 ( 5.908 2.439 0.000) 6.392 2.010 ( -4.954 -5.023 0.000) 7.055 2.038 ( -0.524 -0.229 0.000) 0.572 2.201 ( 3.112 -0.789 0.000) 3.211 2.239 ( 3.319 -1.864 0.000) 3.806 2.376 ( 10.945 0.007 0.000) 10.945 2.614 ( -9.307 -0.172 0.000) 9.308 3.008 ( 3.791 -0.303 0.000) 3.803 3.102 ( 1.566 0.217 0.000) 1.581 3.377 ( 0.153 -0.271 0.000) 0.311 3.536 ( 2.199 0.050 0.000) 2.200 3.751 ( -2.024 0.049 0.000) 2.025 3.758 ( 0.815 0.260 0.000) 0.856 4.004 ( -4.651 -0.424 0.000) 4.671 4.261 ( 3.008 0.081 0.000) 3.009 4.658 ( -0.578 0.009 0.000) 0.578 4.768 ( 1.763 0.008 0.000) 1.763 4.785 ( 6.640 0.012 0.000) 6.640 4.851 ( -1.098 0.222 0.000) 1.120 4.861 ( 1.713 0.277 0.000) 1.735 5.041 ( 1.317 -0.020 0.000) 1.317 5.086 ( -2.663 0.045 0.000) 2.663 5.186 ( -4.374 -0.213 0.000) 4.379 5.264 ( 0.070 -0.072 0.000) 0.100 5.327 ( -1.576 -0.002 0.000) 1.576 5.520 ( 1.468 -0.140 0.000) 1.475 6.043 ( -3.170 -0.077 0.000) 3.171 6.326 ( -1.383 0.846 0.000) 1.621 6.645 ( -0.784 -0.159 0.000) 0.800 7.144 ( 0.230 0.289 0.000) 0.369 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.616 0.566 0.000) 0.836 1.083 ( 1.925 -0.368 0.000) 1.959 1.454 ( -0.827 -1.433 0.000) 1.655 1.636 ( -1.014 -2.101 0.000) 2.333 1.739 ( -7.286 -2.421 0.000) 7.677 1.938 ( -3.969 -2.061 0.000) 4.472 1.964 ( -1.951 -0.099 0.000) 1.953 2.042 ( 0.930 0.174 0.000) 0.946 2.104 ( 7.269 4.004 0.000) 8.299 2.228 ( -0.602 1.708 0.000) 1.811 2.268 ( -0.604 0.958 0.000) 1.133 2.376 ( -10.828 -0.013 0.000) 10.828 2.618 ( 9.528 0.200 0.000) 9.530 3.011 ( -3.337 -0.050 0.000) 3.337 3.099 ( -1.647 -0.027 0.000) 1.647 3.386 ( 0.638 0.568 0.000) 0.854 3.535 ( -2.325 -0.059 0.000) 2.326 3.749 ( -1.484 -0.566 0.000) 1.588 3.750 ( 1.924 -0.057 0.000) 1.925 4.014 ( 5.423 0.544 0.000) 5.450 4.259 ( -3.180 -0.092 0.000) 3.181 4.658 ( 0.567 -0.010 0.000) 0.567 4.769 ( -1.867 0.048 0.000) 1.868 4.785 ( -6.801 0.033 0.000) 6.801 4.846 ( 0.482 -0.283 0.000) 0.559 4.854 ( -1.869 -0.385 0.000) 1.909 5.041 ( -1.279 0.025 0.000) 1.279 5.085 ( 2.661 -0.061 0.000) 2.662 5.190 ( 4.590 0.254 0.000) 4.597 5.265 ( 0.087 0.078 0.000) 0.117 5.327 ( 1.579 0.003 0.000) 1.579 5.523 ( -1.143 0.162 0.000) 1.154 6.045 ( 3.411 0.136 0.000) 3.414 6.307 ( -0.706 -0.997 0.000) 1.221 6.649 ( 1.175 0.187 0.000) 1.190 7.138 ( -0.927 -0.334 0.000) 0.985 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -0.725 -0.150 0.000) 0.740 1.132 ( 2.643 0.527 0.000) 2.695 1.450 ( -5.593 -8.030 0.000) 9.786 1.612 ( -3.130 -4.416 0.000) 5.413 1.645 ( -0.590 -1.973 0.000) 2.059 1.863 ( -5.542 -1.743 0.000) 5.809 1.884 ( -7.331 -0.154 0.000) 7.333 2.070 ( 2.104 0.515 0.000) 2.166 2.126 ( -3.115 5.915 0.000) 6.685 2.166 ( -10.182 -0.031 0.000) 10.182 2.205 ( -4.555 3.028 0.000) 5.469 2.245 ( 4.388 2.433 0.000) 5.017 2.785 ( 7.838 0.302 0.000) 7.844 2.879 ( -10.575 1.423 0.000) 10.671 3.038 ( -4.982 0.237 0.000) 4.988 3.388 ( -0.451 0.679 0.000) 0.815 3.434 ( -9.202 -0.203 0.000) 9.204 3.728 ( -0.841 -0.495 0.000) 0.976 3.814 ( 4.266 -0.081 0.000) 4.266 4.166 ( 9.858 0.703 0.000) 9.883 4.173 ( -4.876 -0.171 0.000) 4.879 4.614 ( -9.907 -0.142 0.000) 9.908 4.683 ( 2.206 0.018 0.000) 2.206 4.731 ( -1.671 -0.169 0.000) 1.680 4.798 ( -2.870 -0.460 0.000) 2.907 4.866 ( 0.573 -0.426 0.000) 0.714 5.003 ( -2.602 0.018 0.000) 2.602 5.130 ( 1.367 0.063 0.000) 1.369 5.268 ( 0.342 0.194 0.000) 0.394 5.317 ( 8.047 -0.027 0.000) 8.047 5.367 ( 2.120 -0.011 0.000) 2.120 5.495 ( -0.985 0.435 0.000) 1.077 6.151 ( 7.252 0.361 0.000) 7.261 6.308 ( -0.261 -3.252 0.000) 3.263 6.687 ( 3.134 0.612 0.000) 3.193 7.112 ( -2.190 -1.035 0.000) 2.422 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.898 -0.512 0.000) 1.033 1.162 ( 0.654 0.487 0.000) 0.816 1.271 ( -14.976 -6.921 0.000) 16.497 1.651 ( -0.903 -4.065 0.000) 4.164 1.668 ( 3.008 -6.588 0.000) 7.242 1.677 ( -14.217 0.052 0.000) 14.217 1.749 ( -6.679 -1.611 0.000) 6.871 2.000 ( -6.704 7.200 0.000) 9.838 2.024 ( -5.085 -0.056 0.000) 5.085 2.097 ( -4.614 2.451 0.000) 5.225 2.112 ( 2.481 0.506 0.000) 2.532 2.293 ( 1.180 1.622 0.000) 2.006 2.608 ( -16.081 3.878 0.000) 16.542 2.906 ( 5.283 0.145 0.000) 5.285 2.911 ( -7.930 1.141 0.000) 8.012 3.182 ( -17.378 -0.373 0.000) 17.382 3.335 ( -5.896 0.201 0.000) 5.899 3.724 ( 0.214 0.162 0.000) 0.268 3.882 ( 2.310 0.075 0.000) 2.311 4.113 ( -1.302 -0.023 0.000) 1.302 4.319 ( 5.103 0.940 0.000) 5.189 4.456 ( -6.084 -0.176 0.000) 6.086 4.717 ( -0.020 -0.406 0.000) 0.406 4.745 ( 4.428 0.110 0.000) 4.429 4.769 ( -0.293 -0.315 0.000) 0.430 4.885 ( 1.922 -0.277 0.000) 1.942 4.943 ( -3.976 -0.074 0.000) 3.976 5.125 ( -1.816 0.191 0.000) 1.826 5.281 ( 1.291 0.197 0.000) 1.306 5.396 ( 0.854 -0.070 0.000) 0.857 5.473 ( 7.927 -0.650 0.000) 7.954 5.505 ( 3.020 0.362 0.000) 3.042 6.252 ( 0.242 -4.192 0.000) 4.199 6.369 ( 7.511 -1.302 0.000) 7.623 6.760 ( 4.926 1.032 0.000) 5.033 7.065 ( -3.447 -1.584 0.000) 3.793 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -5.189 1.241 0.000) 5.336 0.994 ( -17.029 -3.818 0.000) 17.452 1.163 ( -0.078 -1.852 0.000) 1.854 1.392 ( -15.017 -0.568 0.000) 15.027 1.571 ( -7.765 -0.183 0.000) 7.767 1.667 ( -5.038 -0.295 0.000) 5.047 1.736 ( -1.736 -2.147 0.000) 2.761 1.813 ( -9.257 -1.625 0.000) 9.399 1.958 ( -2.053 0.684 0.000) 2.164 2.028 ( -1.935 -0.925 0.000) 2.144 2.147 ( 0.913 0.174 0.000) 0.929 2.265 ( -5.807 1.873 0.000) 6.101 2.312 ( -7.843 4.190 0.000) 8.892 2.743 ( -8.858 1.788 0.000) 9.037 2.822 ( -19.951 -0.428 0.000) 19.956 2.987 ( 3.503 -0.149 0.000) 3.507 3.153 ( -13.075 -0.134 0.000) 13.075 3.733 ( 1.141 0.926 0.000) 1.469 3.885 ( -1.940 0.262 0.000) 1.958 4.116 ( 1.355 0.205 0.000) 1.371 4.318 ( -3.816 1.543 0.000) 4.116 4.403 ( 0.156 -0.011 0.000) 0.156 4.720 ( -0.265 -0.469 0.000) 0.539 4.780 ( 0.984 -0.140 0.000) 0.994 4.837 ( 5.058 0.098 0.000) 5.059 4.845 ( -6.692 -0.187 0.000) 6.695 4.939 ( 2.678 -0.055 0.000) 2.678 5.065 ( -4.188 0.248 0.000) 4.195 5.317 ( 2.674 0.173 0.000) 2.679 5.405 ( 0.270 -0.144 0.000) 0.306 5.593 ( 6.933 -1.050 0.000) 7.012 5.641 ( 8.795 -0.487 0.000) 8.808 6.232 ( -5.386 -10.775 0.000) 12.046 6.560 ( 11.867 1.675 0.000) 11.985 6.856 ( 5.540 1.052 0.000) 5.639 7.004 ( -3.528 -1.498 0.000) 3.832 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -16.779 0.416 0.000) 16.784 0.764 ( -15.002 3.062 0.000) 15.311 1.161 ( -9.710 -1.075 0.000) 9.769 1.200 ( 2.559 -4.230 0.000) 4.943 1.308 ( -21.971 9.592 0.000) 23.973 1.490 ( -8.018 -0.735 0.000) 8.051 1.591 ( -6.762 2.229 0.000) 7.120 1.783 ( -3.719 -7.973 0.000) 8.798 1.933 ( -0.311 1.470 0.000) 1.503 2.029 ( 0.773 -3.570 0.000) 3.653 2.101 ( -7.688 -0.322 0.000) 7.695 2.161 ( 0.174 3.006 0.000) 3.011 2.261 ( -1.162 -0.984 0.000) 1.522 2.509 ( -11.024 -0.173 0.000) 11.026 2.578 ( -7.328 2.025 0.000) 7.602 2.878 ( -15.194 -0.171 0.000) 15.195 3.042 ( 2.330 -0.379 0.000) 2.361 3.759 ( 2.176 1.432 0.000) 2.605 3.820 ( -4.263 0.285 0.000) 4.272 4.153 ( 2.601 0.321 0.000) 2.620 4.201 ( -6.923 1.302 0.000) 7.044 4.442 ( 3.480 0.218 0.000) 3.487 4.693 ( -9.433 -0.217 0.000) 9.435 4.704 ( -1.720 -0.245 0.000) 1.737 4.785 ( -1.361 -0.142 0.000) 1.368 4.919 ( 3.445 -0.067 0.000) 3.445 4.959 ( -0.281 0.123 0.000) 0.307 4.990 ( -2.826 0.166 0.000) 2.831 5.374 ( 3.138 0.170 0.000) 3.143 5.413 ( 0.589 -0.154 0.000) 0.609 5.721 ( 3.751 -5.354 0.000) 6.537 5.818 ( 8.937 0.100 0.000) 8.937 6.165 ( -8.886 -17.764 0.000) 19.863 6.780 ( 12.871 4.490 0.000) 13.631 6.907 ( -1.861 -2.200 0.000) 2.882 6.995 ( 4.091 2.033 0.000) 4.569 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -13.855 6.860 0.000) 15.460 0.417 ( -19.082 3.554 0.000) 19.410 0.762 ( -27.799 14.057 0.000) 31.151 1.028 ( -5.042 -0.564 0.000) 5.074 1.292 ( 4.435 -4.756 0.000) 6.503 1.385 ( -4.078 0.003 0.000) 4.078 1.477 ( -3.805 2.076 0.000) 4.334 1.724 ( -4.730 -3.894 0.000) 6.127 1.875 ( -12.036 -0.595 0.000) 12.050 1.932 ( -0.468 2.025 0.000) 2.078 2.100 ( 4.353 -4.996 0.000) 6.626 2.185 ( 1.596 0.265 0.000) 1.618 2.271 ( 3.778 2.625 0.000) 4.601 2.418 ( -1.099 -0.036 0.000) 1.100 2.465 ( -3.332 2.095 0.000) 3.936 2.624 ( -10.947 0.187 0.000) 10.949 3.078 ( 1.251 -0.420 0.000) 1.320 3.743 ( -3.311 0.152 0.000) 3.314 3.794 ( 1.943 1.289 0.000) 2.332 4.082 ( -4.528 0.501 0.000) 4.556 4.211 ( 3.719 0.232 0.000) 3.726 4.512 ( -9.170 -0.094 0.000) 9.171 4.516 ( 4.277 0.396 0.000) 4.295 4.659 ( -2.748 -0.023 0.000) 2.748 4.721 ( -4.954 -0.331 0.000) 4.965 4.947 ( -0.676 -0.003 0.000) 0.676 4.966 ( 1.558 -0.192 0.000) 1.570 4.970 ( 0.179 -0.204 0.000) 0.271 5.420 ( 1.251 -0.262 0.000) 1.278 5.430 ( 1.353 0.294 0.000) 1.385 5.688 ( -27.188 -35.879 0.000) 45.017 5.889 ( -0.927 -2.163 0.000) 2.354 6.133 ( -0.259 -10.279 0.000) 10.282 6.873 ( -2.056 -2.283 0.000) 3.072 6.997 ( 14.146 9.030 0.000) 16.782 7.067 ( 3.588 2.352 0.000) 4.290 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.094 ( -0.000 9.476 0.000) 9.476 0.172 ( -0.000 17.495 0.000) 17.495 0.257 ( -0.000 26.243 0.000) 26.243 0.981 ( 0.000 -0.233 0.000) 0.233 1.341 ( -0.000 0.589 0.000) 0.589 1.373 ( 0.000 -4.101 0.000) 4.101 1.435 ( -0.000 1.339 0.000) 1.339 1.669 ( 0.000 -2.113 0.000) 2.113 1.732 ( -0.000 0.018 0.000) 0.018 1.925 ( -0.000 1.599 0.000) 1.599 2.192 ( 0.000 -4.889 0.000) 4.889 2.193 ( 0.000 -0.702 0.000) 0.702 2.413 ( 0.000 -0.038 0.000) 0.038 2.418 ( -0.000 1.613 0.000) 1.613 2.507 ( -0.000 0.393 0.000) 0.393 2.651 ( 0.000 -3.314 0.000) 3.314 3.092 ( 0.000 -0.314 0.000) 0.314 3.710 ( -0.000 0.062 0.000) 0.062 3.805 ( -0.000 0.085 0.000) 0.085 4.039 ( -0.000 0.275 0.000) 0.275 4.268 ( -0.000 0.061 0.000) 0.061 4.373 ( -0.000 0.084 0.000) 0.084 4.399 ( -0.000 0.052 0.000) 0.052 4.574 ( -0.000 0.482 0.000) 0.482 4.628 ( -0.000 0.073 0.000) 0.073 4.683 ( -0.000 0.043 0.000) 0.043 4.950 ( -0.000 0.000 0.000) 0.000 4.981 ( -0.000 0.252 0.000) 0.252 4.981 ( -0.000 0.308 0.000) 0.308 5.430 ( 0.000 -0.306 0.000) 0.306 5.445 ( -0.000 0.336 0.000) 0.336 5.894 ( -0.000 0.169 0.000) 0.169 6.173 ( 0.000 -2.028 0.000) 2.028 6.862 ( 0.000 -1.713 0.000) 1.713 7.092 ( -0.000 1.822 0.000) 1.822 7.214 ( 0.000 -0.014 0.000) 0.014 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 1.389 -0.000 0.000) 1.389 1.150 ( -1.749 0.000 0.000) 1.749 1.424 ( 17.525 -0.000 0.000) 17.525 1.676 ( 14.079 -0.000 0.000) 14.079 1.706 ( 2.191 -0.000 0.000) 2.191 1.790 ( 7.273 -0.000 0.000) 7.273 1.811 ( 7.595 -0.000 0.000) 7.595 1.850 ( -6.580 0.000 0.000) 6.580 2.025 ( 5.473 -0.000 0.000) 5.473 2.055 ( 1.077 -0.000 0.000) 1.077 2.103 ( -2.677 0.000 0.000) 2.677 2.237 ( -2.769 0.000 0.000) 2.769 2.536 ( 19.168 -0.000 0.000) 19.168 2.892 ( 8.817 -0.000 0.000) 8.817 2.903 ( -5.523 0.000 0.000) 5.523 3.189 ( 17.230 -0.000 0.000) 17.230 3.331 ( 5.499 -0.000 0.000) 5.499 3.721 ( 0.518 -0.000 0.000) 0.518 3.881 ( -2.109 0.000 0.000) 2.109 4.113 ( 1.517 -0.000 0.000) 1.517 4.303 ( -4.549 0.000 0.000) 4.549 4.460 ( 6.124 -0.000 0.000) 6.124 4.725 ( -0.250 0.000 0.000) 0.250 4.743 ( -4.356 0.000 0.000) 4.356 4.775 ( 0.582 -0.000 0.000) 0.582 4.889 ( -1.800 0.000 0.000) 1.800 4.944 ( 3.861 -0.000 0.000) 3.861 5.121 ( 1.887 -0.000 0.000) 1.887 5.277 ( -1.317 0.000 0.000) 1.317 5.397 ( -0.926 0.000 0.000) 0.926 5.485 ( -8.889 0.000 0.000) 8.889 5.497 ( -2.881 0.000 0.000) 2.881 6.311 ( -9.756 0.000 0.000) 9.756 6.408 ( -1.110 0.000 0.000) 1.110 6.743 ( -4.593 0.000 0.000) 4.593 7.092 ( 3.081 -0.000 0.000) 3.081 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -0.345 0.051 0.000) 0.349 1.119 ( -1.706 -0.139 0.000) 1.712 1.687 ( -1.309 3.550 0.000) 3.783 1.694 ( 0.178 1.395 0.000) 1.406 1.720 ( 4.135 1.298 0.000) 4.334 1.888 ( 7.689 0.039 0.000) 7.689 1.917 ( 5.269 1.092 0.000) 5.381 1.941 ( 3.723 -3.854 0.000) 5.359 2.058 ( -1.957 -0.133 0.000) 1.962 2.111 ( 4.910 -1.569 0.000) 5.154 2.167 ( 9.948 0.009 0.000) 9.948 2.180 ( -2.515 -0.798 0.000) 2.638 2.778 ( -7.883 -0.071 0.000) 7.883 2.846 ( 12.911 -0.373 0.000) 12.916 3.034 ( 5.910 -0.039 0.000) 5.910 3.375 ( 0.160 -0.126 0.000) 0.204 3.438 ( 9.009 0.049 0.000) 9.009 3.738 ( 1.294 0.098 0.000) 1.298 3.816 ( -4.175 0.018 0.000) 4.175 4.149 ( -9.979 -0.179 0.000) 9.981 4.177 ( 4.928 0.042 0.000) 4.928 4.617 ( 9.821 0.041 0.000) 9.821 4.682 ( -2.116 -0.005 0.000) 2.116 4.735 ( 1.426 0.047 0.000) 1.427 4.809 ( 2.923 0.134 0.000) 2.926 4.874 ( -0.539 0.076 0.000) 0.544 5.002 ( 2.537 -0.004 0.000) 2.537 5.128 ( -1.181 -0.036 0.000) 1.182 5.264 ( -0.283 -0.047 0.000) 0.286 5.318 ( -8.687 0.011 0.000) 8.687 5.368 ( -2.163 0.003 0.000) 2.163 5.486 ( 1.153 -0.094 0.000) 1.157 6.147 ( -7.552 -0.017 0.000) 7.552 6.376 ( -1.991 0.706 0.000) 2.112 6.675 ( -2.667 -0.133 0.000) 2.670 7.134 ( 1.472 0.235 0.000) 1.491 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 1.010 -0.069 0.000) 1.012 1.086 ( -1.817 -0.034 0.000) 1.817 1.549 ( -6.276 3.422 0.000) 7.148 1.647 ( -2.526 -0.829 0.000) 2.659 1.820 ( -0.778 1.784 0.000) 1.946 1.966 ( -2.555 -3.574 0.000) 4.394 1.969 ( 1.662 0.121 0.000) 1.666 2.006 ( 6.793 1.705 0.000) 7.004 2.036 ( -0.402 -0.149 0.000) 0.429 2.197 ( 3.823 -0.155 0.000) 3.826 2.222 ( 4.495 -1.530 0.000) 4.748 2.376 ( 10.983 0.003 0.000) 10.983 2.613 ( -9.230 -0.096 0.000) 9.231 3.005 ( 3.880 -0.234 0.000) 3.887 3.104 ( 1.589 0.154 0.000) 1.597 3.375 ( 0.446 -0.108 0.000) 0.459 3.537 ( 2.156 0.028 0.000) 2.156 3.752 ( -2.058 0.028 0.000) 2.059 3.760 ( 0.512 0.098 0.000) 0.522 4.001 ( -4.329 -0.225 0.000) 4.335 4.262 ( 2.948 0.046 0.000) 2.948 4.658 ( -0.582 0.005 0.000) 0.582 4.768 ( 1.710 0.013 0.000) 1.710 4.785 ( 6.619 0.015 0.000) 6.619 4.853 ( -1.438 0.117 0.000) 1.443 4.863 ( 1.765 0.148 0.000) 1.771 5.041 ( 1.331 -0.011 0.000) 1.331 5.086 ( -2.650 0.024 0.000) 2.650 5.184 ( -4.303 -0.118 0.000) 4.305 5.263 ( 0.123 -0.041 0.000) 0.130 5.327 ( -1.574 -0.001 0.000) 1.574 5.519 ( 1.571 -0.078 0.000) 1.573 6.042 ( -3.103 -0.036 0.000) 3.104 6.333 ( -2.077 0.473 0.000) 2.130 6.644 ( -0.654 -0.088 0.000) 0.660 7.147 ( -0.005 0.162 0.000) 0.162 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -0.956 0.626 0.000) 1.142 1.079 ( 2.429 -0.487 0.000) 2.478 1.447 ( -3.583 -0.010 0.000) 3.583 1.611 ( -2.366 -2.790 0.000) 3.658 1.722 ( -7.451 -1.088 0.000) 7.530 1.921 ( -3.324 -1.407 0.000) 3.609 1.964 ( -2.086 -0.045 0.000) 2.086 2.043 ( 1.128 0.102 0.000) 1.133 2.136 ( 7.211 2.575 0.000) 7.657 2.243 ( 0.519 1.467 0.000) 1.556 2.275 ( 0.572 0.374 0.000) 0.683 2.375 ( -10.775 -0.011 0.000) 10.775 2.620 ( 9.623 0.143 0.000) 9.624 3.010 ( -3.052 -0.149 0.000) 3.056 3.100 ( -1.746 0.044 0.000) 1.747 3.391 ( 0.951 0.484 0.000) 1.067 3.535 ( -2.378 -0.042 0.000) 2.378 3.744 ( -1.684 -0.482 0.000) 1.752 3.750 ( 1.880 -0.041 0.000) 1.880 4.019 ( 5.683 0.398 0.000) 5.696 4.259 ( -3.253 -0.065 0.000) 3.254 4.658 ( 0.561 -0.007 0.000) 0.561 4.769 ( -1.882 0.057 0.000) 1.882 4.786 ( -6.926 0.036 0.000) 6.926 4.843 ( 0.502 -0.195 0.000) 0.538 4.851 ( -2.186 -0.313 0.000) 2.208 5.041 ( -1.263 0.018 0.000) 1.263 5.084 ( 2.643 -0.046 0.000) 2.644 5.193 ( 4.685 0.184 0.000) 4.688 5.266 ( 0.155 0.054 0.000) 0.164 5.327 ( 1.580 0.003 0.000) 1.580 5.525 ( -0.992 0.116 0.000) 0.998 6.046 ( 3.545 0.113 0.000) 3.547 6.298 ( -1.641 -0.720 0.000) 1.792 6.651 ( 1.349 0.134 0.000) 1.356 7.135 ( -1.231 -0.239 0.000) 1.254 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -1.054 -0.109 0.000) 1.060 1.136 ( 2.923 0.425 0.000) 2.953 1.381 ( -7.093 -5.970 0.000) 9.271 1.572 ( -2.826 -3.555 0.000) 4.541 1.628 ( -1.794 -1.425 0.000) 2.291 1.848 ( -5.390 -1.291 0.000) 5.542 1.883 ( -7.205 -0.127 0.000) 7.206 2.074 ( 2.187 0.420 0.000) 2.226 2.166 ( -10.281 -0.025 0.000) 10.281 2.178 ( -2.593 4.588 0.000) 5.270 2.231 ( -3.632 2.247 0.000) 4.271 2.264 ( 3.492 1.362 0.000) 3.748 2.788 ( 7.820 0.253 0.000) 7.824 2.891 ( -9.525 1.147 0.000) 9.594 3.040 ( -4.614 0.225 0.000) 4.619 3.395 ( -0.652 0.620 0.000) 0.899 3.432 ( -9.282 -0.168 0.000) 9.283 3.723 ( -0.599 -0.444 0.000) 0.746 3.813 ( 4.301 -0.069 0.000) 4.302 4.171 ( -4.854 -0.141 0.000) 4.856 4.172 ( 9.817 0.569 0.000) 9.833 4.613 ( -9.955 -0.108 0.000) 9.956 4.683 ( 2.241 0.014 0.000) 2.241 4.729 ( -1.791 -0.132 0.000) 1.796 4.794 ( -2.823 -0.345 0.000) 2.844 4.862 ( 0.608 -0.395 0.000) 0.725 5.003 ( -2.629 0.015 0.000) 2.629 5.130 ( 1.432 0.019 0.000) 1.432 5.270 ( 0.369 0.162 0.000) 0.403 5.317 ( 7.764 -0.014 0.000) 7.764 5.367 ( 2.102 -0.009 0.000) 2.102 5.499 ( -0.911 0.379 0.000) 0.986 6.155 ( 7.374 0.560 0.000) 7.395 6.277 ( -1.438 -2.968 0.000) 3.298 6.693 ( 3.358 0.532 0.000) 3.400 7.103 ( -2.517 -0.883 0.000) 2.668 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.705 -0.366 0.000) 0.794 1.166 ( 0.131 0.343 0.000) 0.367 1.210 ( -13.217 -5.621 0.000) 14.362 1.588 ( 0.665 -6.922 0.000) 6.954 1.631 ( 0.236 -2.643 0.000) 2.654 1.677 ( -14.281 0.058 0.000) 14.281 1.735 ( -6.813 -1.294 0.000) 6.935 2.023 ( -4.891 -0.045 0.000) 4.891 2.066 ( -6.466 6.114 0.000) 8.899 2.117 ( 2.395 0.468 0.000) 2.441 2.122 ( -5.519 2.669 0.000) 6.131 2.302 ( 0.195 0.279 0.000) 0.340 2.645 ( -14.871 3.506 0.000) 15.279 2.907 ( 5.152 0.139 0.000) 5.154 2.923 ( -7.456 1.114 0.000) 7.539 3.178 ( -17.458 -0.352 0.000) 17.461 3.336 ( -6.140 0.170 0.000) 6.142 3.725 ( 0.619 0.160 0.000) 0.639 3.883 ( 2.417 0.066 0.000) 2.418 4.113 ( -1.187 -0.021 0.000) 1.187 4.328 ( 5.485 0.929 0.000) 5.563 4.455 ( -6.065 -0.163 0.000) 6.067 4.713 ( -0.110 -0.358 0.000) 0.375 4.746 ( 4.467 0.102 0.000) 4.469 4.766 ( -0.195 -0.271 0.000) 0.334 4.882 ( 2.009 -0.275 0.000) 2.028 4.942 ( -4.037 -0.069 0.000) 4.037 5.127 ( -1.777 0.132 0.000) 1.782 5.283 ( 1.275 0.186 0.000) 1.289 5.395 ( 0.813 -0.066 0.000) 0.816 5.467 ( 7.666 -0.640 0.000) 7.693 5.508 ( 2.730 0.322 0.000) 2.749 6.209 ( -3.571 -4.371 0.000) 5.644 6.359 ( 9.704 -0.796 0.000) 9.736 6.770 ( 5.186 1.081 0.000) 5.298 7.050 ( -3.723 -1.600 0.000) 4.052 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -14.167 -1.607 0.000) 14.258 0.979 ( -3.451 1.369 0.000) 3.713 1.144 ( -1.993 -1.939 0.000) 2.781 1.386 ( -15.644 -0.654 0.000) 15.658 1.566 ( -6.244 -0.872 0.000) 6.304 1.647 ( -2.704 -5.382 0.000) 6.023 1.670 ( -0.161 -6.080 0.000) 6.083 1.857 ( -13.082 7.043 0.000) 14.857 1.965 ( -1.543 0.690 0.000) 1.691 2.024 ( -3.738 0.114 0.000) 3.740 2.149 ( 0.682 0.196 0.000) 0.709 2.270 ( -3.494 -0.404 0.000) 3.517 2.356 ( -11.256 4.519 0.000) 12.129 2.761 ( -8.599 1.861 0.000) 8.798 2.817 ( -19.935 -0.455 0.000) 19.940 2.985 ( 3.334 -0.160 0.000) 3.338 3.151 ( -13.177 -0.142 0.000) 13.177 3.743 ( 1.545 0.962 0.000) 1.820 3.887 ( -1.858 0.274 0.000) 1.878 4.118 ( 1.474 0.217 0.000) 1.490 4.335 ( -3.497 1.831 0.000) 3.948 4.403 ( 0.282 -0.023 0.000) 0.283 4.715 ( -0.206 -0.413 0.000) 0.461 4.779 ( 1.003 -0.174 0.000) 1.018 4.838 ( 5.001 0.102 0.000) 5.002 4.843 ( -6.749 -0.196 0.000) 6.752 4.939 ( 2.842 -0.045 0.000) 2.842 5.067 ( -4.182 0.220 0.000) 4.187 5.319 ( 2.684 0.183 0.000) 2.691 5.403 ( 0.225 -0.159 0.000) 0.276 5.583 ( 5.693 -1.022 0.000) 5.785 5.634 ( 8.821 -0.998 0.000) 8.877 6.128 ( -8.559 -10.172 0.000) 13.294 6.573 ( 12.676 0.962 0.000) 12.712 6.868 ( 5.223 1.392 0.000) 5.405 6.988 ( -3.111 -1.861 0.000) 3.625 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -12.291 4.861 0.000) 13.217 0.799 ( -14.388 4.035 0.000) 14.943 1.147 ( -9.513 -1.708 0.000) 9.666 1.154 ( 1.256 -4.967 0.000) 5.123 1.398 ( -17.353 7.960 0.000) 19.091 1.485 ( -10.176 -0.375 0.000) 10.183 1.612 ( -6.344 1.809 0.000) 6.597 1.705 ( -1.498 -7.360 0.000) 7.511 1.948 ( 0.044 1.611 0.000) 1.611 1.990 ( -0.971 -4.181 0.000) 4.292 2.097 ( -7.936 -0.382 0.000) 7.946 2.187 ( -1.787 2.176 0.000) 2.816 2.250 ( -1.643 -1.131 0.000) 1.995 2.508 ( -10.837 -0.214 0.000) 10.839 2.599 ( -7.246 2.122 0.000) 7.551 2.877 ( -15.107 -0.151 0.000) 15.108 3.038 ( 2.208 -0.462 0.000) 2.256 3.774 ( 2.405 1.616 0.000) 2.898 3.823 ( -4.282 0.341 0.000) 4.296 4.156 ( 2.642 0.388 0.000) 2.670 4.216 ( -7.239 1.721 0.000) 7.441 4.445 ( 3.640 0.281 0.000) 3.651 4.691 ( -9.426 -0.257 0.000) 9.430 4.702 ( -1.577 -0.241 0.000) 1.596 4.783 ( -1.451 -0.274 0.000) 1.477 4.918 ( 3.331 -0.086 0.000) 3.332 4.961 ( -0.264 0.188 0.000) 0.324 4.991 ( -2.970 0.112 0.000) 2.972 5.376 ( 3.133 0.225 0.000) 3.141 5.411 ( 0.599 -0.221 0.000) 0.639 5.654 ( -3.413 -8.312 0.000) 8.985 5.817 ( 8.585 -0.321 0.000) 8.591 6.006 ( -8.567 -14.030 0.000) 16.439 6.815 ( 13.884 2.800 0.000) 14.164 6.887 ( -2.744 -1.949 0.000) 3.366 7.014 ( 5.136 1.756 0.000) 5.428 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -17.930 4.803 0.000) 18.562 0.474 ( -7.349 13.197 0.000) 15.105 0.909 ( -23.497 15.458 0.000) 28.125 1.020 ( -4.861 -1.070 0.000) 4.977 1.236 ( 3.771 -6.343 0.000) 7.379 1.387 ( -3.223 0.353 0.000) 3.242 1.502 ( -3.832 2.976 0.000) 4.852 1.676 ( -4.413 -5.685 0.000) 7.197 1.870 ( -12.013 -0.420 0.000) 12.020 1.953 ( -0.099 2.108 0.000) 2.110 2.040 ( 3.379 -7.080 0.000) 7.845 2.182 ( 0.005 -0.714 0.000) 0.714 2.291 ( 7.848 1.049 0.000) 7.918 2.417 ( -1.108 -0.050 0.000) 1.109 2.486 ( -3.213 2.140 0.000) 3.860 2.626 ( -10.623 0.229 0.000) 10.626 3.073 ( 1.209 -0.599 0.000) 1.349 3.745 ( -3.375 0.214 0.000) 3.382 3.808 ( 1.607 1.479 0.000) 2.184 4.088 ( -4.833 0.670 0.000) 4.879 4.213 ( 3.646 0.331 0.000) 3.662 4.511 ( -9.069 -0.128 0.000) 9.069 4.521 ( 4.447 0.601 0.000) 4.487 4.659 ( -2.708 -0.037 0.000) 2.708 4.715 ( -5.669 -0.882 0.000) 5.737 4.945 ( -1.746 -0.799 0.000) 1.920 4.964 ( 1.490 -0.276 0.000) 1.516 4.965 ( -0.792 -0.824 0.000) 1.142 5.354 ( -41.754 -28.545 0.000) 50.579 5.417 ( 0.985 -0.201 0.000) 1.005 5.432 ( 1.624 0.225 0.000) 1.640 5.882 ( 1.259 -0.104 0.000) 1.263 6.065 ( 5.472 -5.344 0.000) 7.649 6.848 ( -2.071 -2.595 0.000) 3.320 7.057 ( 13.265 3.960 0.000) 13.843 7.092 ( 3.712 2.704 0.000) 4.592 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.183 ( -0.000 8.806 0.000) 8.806 0.339 ( -0.000 16.807 0.000) 16.807 0.510 ( -0.000 25.417 0.000) 25.417 0.977 ( 0.000 -0.595 0.000) 0.595 1.319 ( 0.000 -6.723 0.000) 6.723 1.350 ( -0.000 1.065 0.000) 1.065 1.454 ( -0.000 2.533 0.000) 2.533 1.639 ( 0.000 -4.031 0.000) 4.031 1.732 ( -0.000 0.033 0.000) 0.033 1.945 ( -0.000 2.314 0.000) 2.314 2.129 ( 0.000 -7.713 0.000) 7.713 2.183 ( 0.000 -1.239 0.000) 1.239 2.412 ( 0.000 -0.063 0.000) 0.063 2.434 ( -0.000 1.354 0.000) 1.354 2.512 ( -0.000 0.665 0.000) 0.665 2.605 ( 0.000 -6.018 0.000) 6.018 3.088 ( 0.000 -0.560 0.000) 0.560 3.711 ( -0.000 0.111 0.000) 0.111 3.806 ( -0.000 0.149 0.000) 0.149 4.043 ( -0.000 0.484 0.000) 0.484 4.268 ( -0.000 0.115 0.000) 0.115 4.374 ( -0.000 0.149 0.000) 0.149 4.400 ( -0.000 0.091 0.000) 0.091 4.581 ( -0.000 0.916 0.000) 0.916 4.629 ( -0.000 0.129 0.000) 0.129 4.684 ( -0.000 0.076 0.000) 0.076 4.950 ( -0.000 0.090 0.000) 0.090 4.979 ( 0.000 -0.309 0.000) 0.309 4.991 ( -0.000 1.190 0.000) 1.190 5.427 ( 0.000 -0.334 0.000) 0.334 5.448 ( -0.000 0.370 0.000) 0.370 5.897 ( -0.000 0.315 0.000) 0.315 6.145 ( 0.000 -3.667 0.000) 3.667 6.841 ( 0.000 -2.550 0.000) 2.550 7.115 ( -0.000 2.753 0.000) 2.753 7.214 ( 0.000 -0.022 0.000) 0.022 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 1.105 -0.000 0.000) 1.105 1.086 ( -1.867 0.000 0.000) 1.867 1.568 ( -6.968 0.000 0.000) 6.968 1.642 ( -3.009 0.000 0.000) 3.009 1.830 ( -2.588 0.000 0.000) 2.588 1.947 ( -0.899 0.000 0.000) 0.899 1.969 ( 1.646 -0.000 0.000) 1.646 2.015 ( 7.069 -0.000 0.000) 7.069 2.035 ( -0.361 0.000 0.000) 0.361 2.197 ( 3.820 -0.000 0.000) 3.820 2.213 ( 5.201 -0.000 0.000) 5.201 2.376 ( 10.997 -0.000 0.000) 10.997 2.612 ( -9.203 0.000 0.000) 9.203 3.004 ( 3.905 -0.000 0.000) 3.905 3.105 ( 1.602 -0.000 0.000) 1.602 3.375 ( 0.555 -0.000 0.000) 0.555 3.537 ( 2.140 -0.000 0.000) 2.140 3.752 ( -2.071 0.000 0.000) 2.071 3.760 ( 0.393 -0.000 0.000) 0.393 4.000 ( -4.206 0.000 0.000) 4.206 4.262 ( 2.926 -0.000 0.000) 2.926 4.658 ( -0.583 0.000 0.000) 0.583 4.768 ( 1.689 -0.000 0.000) 1.689 4.785 ( 6.615 -0.000 0.000) 6.615 4.853 ( -1.573 0.000 0.000) 1.573 4.864 ( 1.793 -0.000 0.000) 1.793 5.041 ( 1.336 -0.000 0.000) 1.336 5.086 ( -2.643 0.000 0.000) 2.643 5.183 ( -4.278 0.000 0.000) 4.278 5.263 ( 0.142 -0.000 0.000) 0.142 5.327 ( -1.574 0.000 0.000) 1.574 5.518 ( 1.607 -0.000 0.000) 1.607 6.042 ( -3.081 0.000 0.000) 3.081 6.335 ( -2.324 0.000 0.000) 2.324 6.644 ( -0.608 0.000 0.000) 0.608 7.147 ( -0.089 0.000 0.000) 0.089 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -1.649 0.336 0.000) 1.683 1.074 ( 3.217 -0.287 0.000) 3.230 1.450 ( -5.539 0.318 0.000) 5.548 1.589 ( -2.878 -1.389 0.000) 3.196 1.716 ( -7.229 -0.268 0.000) 7.234 1.912 ( -2.991 -0.504 0.000) 3.034 1.963 ( -2.172 -0.011 0.000) 2.172 2.044 ( 1.248 0.033 0.000) 1.248 2.153 ( 6.934 0.891 0.000) 6.991 2.254 ( 1.246 0.621 0.000) 1.392 2.276 ( 1.231 0.030 0.000) 1.232 2.375 ( -10.745 -0.004 0.000) 10.745 2.621 ( 9.676 0.052 0.000) 9.676 3.008 ( -2.872 -0.075 0.000) 2.873 3.100 ( -1.813 0.027 0.000) 1.813 3.395 ( 1.122 0.192 0.000) 1.138 3.534 ( -2.408 -0.015 0.000) 2.408 3.741 ( -1.778 -0.191 0.000) 1.788 3.749 ( 1.855 -0.015 0.000) 1.855 4.022 ( 5.812 0.146 0.000) 5.814 4.258 ( -3.294 -0.024 0.000) 3.294 4.658 ( 0.557 -0.003 0.000) 0.557 4.769 ( -1.877 0.026 0.000) 1.877 4.786 ( -7.019 0.015 0.000) 7.019 4.842 ( 0.692 -0.064 0.000) 0.695 4.849 ( -2.533 -0.126 0.000) 2.536 5.042 ( -1.254 0.007 0.000) 1.254 5.084 ( 2.629 -0.017 0.000) 2.629 5.194 ( 4.739 0.067 0.000) 4.739 5.266 ( 0.194 0.019 0.000) 0.195 5.327 ( 1.580 0.001 0.000) 1.580 5.525 ( -0.903 0.042 0.000) 0.904 6.047 ( 3.632 0.045 0.000) 3.632 6.294 ( -2.183 -0.263 0.000) 2.199 6.651 ( 1.449 0.049 0.000) 1.450 7.133 ( -1.405 -0.086 0.000) 1.407 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -1.260 -0.056 0.000) 1.261 1.140 ( 3.094 0.236 0.000) 3.103 1.336 ( -8.245 -3.183 0.000) 8.838 1.545 ( -2.551 -1.967 0.000) 3.221 1.618 ( -2.607 -0.740 0.000) 2.710 1.838 ( -5.251 -0.691 0.000) 5.297 1.882 ( -7.121 -0.072 0.000) 7.121 2.077 ( 2.254 0.235 0.000) 2.266 2.165 ( -10.354 -0.014 0.000) 10.354 2.214 ( -2.465 2.626 0.000) 3.601 2.250 ( -2.091 1.678 0.000) 2.681 2.271 ( 2.100 -0.041 0.000) 2.100 2.790 ( 7.807 0.144 0.000) 7.809 2.900 ( -8.743 0.637 0.000) 8.766 3.042 ( -4.361 0.139 0.000) 4.363 3.400 ( -0.825 0.374 0.000) 0.905 3.431 ( -9.338 -0.095 0.000) 9.338 3.720 ( -0.405 -0.266 0.000) 0.484 3.813 ( 4.326 -0.040 0.000) 4.326 4.170 ( -4.838 -0.079 0.000) 4.839 4.176 ( 9.792 0.316 0.000) 9.797 4.612 ( -9.994 -0.058 0.000) 9.994 4.683 ( 2.266 0.007 0.000) 2.266 4.728 ( -1.883 -0.071 0.000) 1.884 4.791 ( -2.780 -0.179 0.000) 2.785 4.859 ( 0.640 -0.241 0.000) 0.684 5.003 ( -2.648 0.009 0.000) 2.648 5.130 ( 1.470 -0.003 0.000) 1.470 5.271 ( 0.388 0.091 0.000) 0.399 5.317 ( 7.557 -0.004 0.000) 7.557 5.367 ( 2.090 -0.005 0.000) 2.090 5.502 ( -0.855 0.222 0.000) 0.883 6.161 ( 7.900 0.552 0.000) 7.920 6.253 ( -2.718 -1.917 0.000) 3.326 6.697 ( 3.532 0.311 0.000) 3.546 7.096 ( -2.765 -0.509 0.000) 2.811 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -0.556 -0.199 0.000) 0.590 1.164 ( -11.339 -3.584 0.000) 11.892 1.168 ( -0.295 0.182 0.000) 0.346 1.530 ( -0.877 -4.848 0.000) 4.927 1.609 ( 0.209 -1.771 0.000) 1.783 1.678 ( -14.327 0.047 0.000) 14.327 1.724 ( -6.952 -0.839 0.000) 7.002 2.023 ( -4.736 -0.028 0.000) 4.736 2.113 ( -6.230 3.248 0.000) 7.026 2.121 ( 2.333 0.328 0.000) 2.356 2.151 ( -5.849 3.411 0.000) 6.771 2.299 ( -0.625 -0.874 0.000) 1.074 2.674 ( -14.047 2.417 0.000) 14.254 2.908 ( 5.042 0.100 0.000) 5.043 2.932 ( -7.065 0.813 0.000) 7.112 3.175 ( -17.524 -0.250 0.000) 17.526 3.338 ( -6.359 0.108 0.000) 6.360 3.726 ( 0.960 0.118 0.000) 0.967 3.884 ( 2.506 0.044 0.000) 2.506 4.113 ( -1.092 -0.015 0.000) 1.092 4.336 ( 5.852 0.690 0.000) 5.893 4.453 ( -6.049 -0.113 0.000) 6.050 4.710 ( -0.150 -0.235 0.000) 0.278 4.747 ( 4.500 0.071 0.000) 4.501 4.764 ( -0.149 -0.180 0.000) 0.234 4.880 ( 2.095 -0.203 0.000) 2.105 4.942 ( -4.087 -0.049 0.000) 4.087 5.128 ( -1.748 0.059 0.000) 1.749 5.284 ( 1.262 0.132 0.000) 1.268 5.395 ( 0.779 -0.047 0.000) 0.780 5.461 ( 7.416 -0.481 0.000) 7.431 5.511 ( 2.450 0.223 0.000) 2.460 6.171 ( -5.962 -3.222 0.000) 6.777 6.353 ( 10.796 -0.434 0.000) 10.804 6.780 ( 5.476 0.851 0.000) 5.541 7.035 ( -4.025 -1.218 0.000) 4.205 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -10.454 0.796 0.000) 10.484 0.992 ( -1.565 1.188 0.000) 1.965 1.126 ( -3.916 -1.597 0.000) 4.229 1.380 ( -16.351 -0.587 0.000) 16.362 1.539 ( -2.556 -6.296 0.000) 6.795 1.585 ( -5.283 -2.972 0.000) 6.062 1.638 ( -1.319 -2.590 0.000) 2.907 1.925 ( -11.988 6.474 0.000) 13.625 1.971 ( -1.105 0.546 0.000) 1.233 2.029 ( -5.448 0.911 0.000) 5.523 2.151 ( 0.472 0.172 0.000) 0.503 2.261 ( -3.534 -1.504 0.000) 3.841 2.395 ( -12.335 3.363 0.000) 12.786 2.778 ( -8.428 1.521 0.000) 8.564 2.813 ( -19.920 -0.378 0.000) 19.923 2.984 ( 3.172 -0.133 0.000) 3.175 3.150 ( -13.243 -0.119 0.000) 13.244 3.751 ( 1.896 0.781 0.000) 2.051 3.890 ( -1.780 0.223 0.000) 1.794 4.120 ( 1.585 0.179 0.000) 1.595 4.353 ( -3.131 1.707 0.000) 3.566 4.403 ( 0.398 -0.041 0.000) 0.400 4.712 ( -0.146 -0.264 0.000) 0.302 4.777 ( 1.012 -0.158 0.000) 1.024 4.839 ( 4.948 0.083 0.000) 4.949 4.842 ( -6.803 -0.160 0.000) 6.805 4.939 ( 3.023 -0.024 0.000) 3.023 5.069 ( -4.183 0.128 0.000) 4.184 5.321 ( 2.697 0.152 0.000) 2.701 5.402 ( 0.176 -0.137 0.000) 0.223 5.574 ( 4.502 -0.776 0.000) 4.569 5.622 ( 8.396 -1.380 0.000) 8.509 6.040 ( -10.651 -7.666 0.000) 13.123 6.580 ( 13.228 0.514 0.000) 13.238 6.883 ( 4.995 1.637 0.000) 5.256 6.969 ( -2.786 -2.022 0.000) 3.443 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -6.882 8.867 0.000) 11.224 0.840 ( -13.924 4.411 0.000) 14.606 1.105 ( 0.557 -4.912 0.000) 4.944 1.130 ( -9.826 -1.962 0.000) 10.020 1.447 ( -11.119 1.482 0.000) 11.217 1.471 ( -10.455 -3.140 0.000) 10.917 1.613 ( -3.213 -1.397 0.000) 3.504 1.676 ( -6.119 2.706 0.000) 6.691 1.950 ( -3.273 -3.857 0.000) 5.059 1.963 ( 0.385 1.392 0.000) 1.444 2.094 ( -8.236 -0.354 0.000) 8.244 2.199 ( -2.876 0.009 0.000) 2.876 2.243 ( -2.574 -0.158 0.000) 2.579 2.505 ( -10.644 -0.207 0.000) 10.646 2.618 ( -7.330 1.747 0.000) 7.536 2.876 ( -15.001 -0.087 0.000) 15.001 3.034 ( 2.076 -0.440 0.000) 2.122 3.789 ( 2.587 1.421 0.000) 2.952 3.827 ( -4.301 0.320 0.000) 4.313 4.160 ( 2.688 0.365 0.000) 2.712 4.233 ( -7.662 1.811 0.000) 7.873 4.447 ( 3.834 0.284 0.000) 3.845 4.688 ( -9.419 -0.238 0.000) 9.422 4.700 ( -1.438 -0.155 0.000) 1.447 4.780 ( -1.670 -0.407 0.000) 1.719 4.917 ( 3.209 -0.087 0.000) 3.211 4.963 ( -0.258 0.258 0.000) 0.365 4.991 ( -3.239 -0.054 0.000) 3.239 5.378 ( 3.160 0.241 0.000) 3.169 5.409 ( 0.573 -0.253 0.000) 0.627 5.564 ( -12.804 -9.731 0.000) 16.082 5.811 ( 9.346 -1.133 0.000) 9.414 5.900 ( -4.262 -7.567 0.000) 8.685 6.836 ( 14.352 1.631 0.000) 14.445 6.870 ( -3.456 -1.540 0.000) 3.783 7.029 ( 6.021 1.368 0.000) 6.174 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -17.021 4.945 0.000) 17.725 0.618 ( -3.715 15.804 0.000) 16.235 1.007 ( -4.688 -1.683 0.000) 4.981 1.052 ( -18.692 13.253 0.000) 22.914 1.173 ( 3.157 -6.234 0.000) 6.988 1.392 ( -2.448 0.852 0.000) 2.593 1.532 ( -3.431 3.247 0.000) 4.724 1.617 ( -4.194 -6.159 0.000) 7.452 1.866 ( -12.086 -0.277 0.000) 12.090 1.967 ( 2.016 -7.828 0.000) 8.084 1.972 ( 0.334 1.764 0.000) 1.795 2.173 ( -0.847 -1.130 0.000) 1.413 2.288 ( 7.773 -1.613 0.000) 7.939 2.417 ( -1.112 -0.055 0.000) 1.114 2.504 ( -3.393 1.603 0.000) 3.753 2.628 ( -10.332 0.244 0.000) 10.335 3.067 ( 1.157 -0.644 0.000) 1.324 3.747 ( -3.453 0.228 0.000) 3.461 3.822 ( 0.979 1.223 0.000) 1.567 4.094 ( -5.243 0.668 0.000) 5.285 4.217 ( 3.563 0.356 0.000) 3.580 4.510 ( -8.947 -0.131 0.000) 8.948 4.528 ( 4.662 0.695 0.000) 4.713 4.658 ( -2.850 -0.086 0.000) 2.851 4.702 ( -7.557 -1.963 0.000) 7.808 4.920 ( -9.629 -4.645 0.000) 10.691 4.960 ( -0.875 -0.182 0.000) 0.894 4.961 ( 1.409 -0.299 0.000) 1.440 5.156 ( -29.874 -12.257 0.000) 32.290 5.416 ( 0.780 -0.137 0.000) 0.792 5.434 ( 1.831 0.136 0.000) 1.837 5.883 ( 1.821 0.134 0.000) 1.826 6.017 ( 6.487 -4.702 0.000) 8.012 6.824 ( -2.162 -2.318 0.000) 3.170 7.083 ( 12.083 1.840 0.000) 12.222 7.118 ( 3.936 2.450 0.000) 4.636 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( -0.000 7.646 0.000) 7.646 0.498 ( -0.000 15.534 0.000) 15.534 0.750 ( -0.000 23.862 0.000) 23.862 0.969 ( 0.000 -1.176 0.000) 1.176 1.249 ( 0.000 -7.358 0.000) 7.358 1.361 ( -0.000 1.337 0.000) 1.337 1.484 ( -0.000 3.450 0.000) 3.450 1.592 ( 0.000 -5.533 0.000) 5.533 1.732 ( -0.000 0.039 0.000) 0.039 1.967 ( -0.000 2.201 0.000) 2.201 2.046 ( 0.000 -9.130 0.000) 9.130 2.169 ( 0.000 -1.494 0.000) 1.494 2.411 ( 0.000 -0.070 0.000) 0.070 2.438 ( 0.000 -0.907 0.000) 0.907 2.519 ( -0.000 0.755 0.000) 0.755 2.540 ( 0.000 -6.551 0.000) 6.551 3.082 ( 0.000 -0.684 0.000) 0.684 3.712 ( -0.000 0.133 0.000) 0.133 3.807 ( -0.000 0.179 0.000) 0.179 4.048 ( -0.000 0.575 0.000) 0.575 4.270 ( -0.000 0.151 0.000) 0.151 4.376 ( -0.000 0.180 0.000) 0.180 4.401 ( -0.000 0.110 0.000) 0.110 4.592 ( -0.000 1.224 0.000) 1.224 4.630 ( -0.000 0.155 0.000) 0.155 4.685 ( -0.000 0.092 0.000) 0.092 4.952 ( -0.000 0.174 0.000) 0.174 4.975 ( 0.000 -0.378 0.000) 0.378 5.003 ( -0.000 1.342 0.000) 1.342 5.424 ( 0.000 -0.280 0.000) 0.280 5.452 ( -0.000 0.294 0.000) 0.294 5.900 ( -0.000 0.424 0.000) 0.424 6.104 ( 0.000 -4.577 0.000) 4.577 6.815 ( 0.000 -2.589 0.000) 2.589 7.143 ( -0.000 2.851 0.000) 2.851 7.214 ( 0.000 -0.023 0.000) 0.023 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -1.329 0.000 0.000) 1.329 1.141 ( 3.150 -0.000 0.000) 3.150 1.320 ( -8.681 0.000 0.000) 8.681 1.535 ( -2.436 0.000 0.000) 2.436 1.614 ( -2.896 0.000 0.000) 2.896 1.835 ( -5.196 0.000 0.000) 5.196 1.881 ( -7.092 0.000 0.000) 7.092 2.079 ( 2.280 -0.000 0.000) 2.280 2.165 ( -10.381 0.000 0.000) 10.381 2.227 ( -2.760 0.000 0.000) 2.760 2.264 ( -2.538 0.000 0.000) 2.538 2.265 ( 2.923 -0.000 0.000) 2.923 2.790 ( 7.803 -0.000 0.000) 7.803 2.903 ( -8.452 0.000 0.000) 8.452 3.043 ( -4.272 0.000 0.000) 4.272 3.402 ( -0.894 0.000 0.000) 0.894 3.430 ( -9.358 0.000 0.000) 9.358 3.718 ( -0.330 0.000 0.000) 0.330 3.812 ( 4.334 -0.000 0.000) 4.334 4.170 ( -4.833 0.000 0.000) 4.833 4.178 ( 9.784 -0.000 0.000) 9.784 4.612 ( -10.008 0.000 0.000) 10.008 4.683 ( 2.275 -0.000 0.000) 2.275 4.728 ( -1.918 0.000 0.000) 1.918 4.790 ( -2.762 0.000 0.000) 2.762 4.858 ( 0.654 -0.000 0.000) 0.654 5.003 ( -2.655 0.000 0.000) 2.655 5.130 ( 1.482 -0.000 0.000) 1.482 5.271 ( 0.395 -0.000 0.000) 0.395 5.317 ( 7.481 -0.000 0.000) 7.481 5.367 ( 2.085 -0.000 0.000) 2.085 5.503 ( -0.834 0.000 0.000) 0.834 6.164 ( 8.381 -0.000 0.000) 8.381 6.243 ( -3.470 0.000 0.000) 3.470 6.699 ( 3.599 -0.000 0.000) 3.599 7.093 ( -2.857 0.000 0.000) 2.857 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -0.471 -0.060 0.000) 0.475 1.141 ( -10.056 -1.220 0.000) 10.130 1.169 ( -0.537 0.054 0.000) 0.540 1.497 ( -2.029 -1.739 0.000) 2.672 1.597 ( 0.235 -0.630 0.000) 0.672 1.678 ( -14.351 0.018 0.000) 14.351 1.719 ( -7.024 -0.290 0.000) 7.030 2.023 ( -4.651 -0.009 0.000) 4.651 2.123 ( 2.300 0.117 0.000) 2.303 2.131 ( -6.331 0.815 0.000) 6.383 2.181 ( -5.728 1.976 0.000) 6.059 2.289 ( -1.044 -0.809 0.000) 1.320 2.691 ( -13.642 0.860 0.000) 13.669 2.909 ( 4.980 0.036 0.000) 4.980 2.938 ( -6.843 0.298 0.000) 6.850 3.174 ( -17.561 -0.090 0.000) 17.561 3.338 ( -6.490 0.036 0.000) 6.490 3.727 ( 1.155 0.043 0.000) 1.155 3.884 ( 2.556 0.015 0.000) 2.556 4.112 ( -1.039 -0.005 0.000) 1.039 4.341 ( 6.081 0.256 0.000) 6.087 4.452 ( -6.039 -0.041 0.000) 6.039 4.709 ( -0.155 -0.080 0.000) 0.174 4.747 ( 4.519 0.026 0.000) 4.519 4.763 ( -0.137 -0.063 0.000) 0.151 4.878 ( 2.149 -0.075 0.000) 2.150 4.941 ( -4.115 -0.018 0.000) 4.115 5.128 ( -1.735 0.013 0.000) 1.735 5.285 ( 1.253 0.048 0.000) 1.254 5.394 ( 0.759 -0.017 0.000) 0.759 5.458 ( 7.252 -0.180 0.000) 7.254 5.513 ( 2.278 0.080 0.000) 2.279 6.149 ( -7.115 -1.178 0.000) 7.211 6.350 ( 11.235 -0.140 0.000) 11.236 6.786 ( 5.683 0.328 0.000) 5.693 7.027 ( -4.239 -0.461 0.000) 4.264 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -6.882 1.615 0.000) 7.069 1.001 ( 0.006 0.700 0.000) 0.700 1.114 ( -5.425 -0.904 0.000) 5.500 1.375 ( -16.935 -0.351 0.000) 16.939 1.472 ( -3.046 -5.753 0.000) 6.510 1.578 ( -6.346 0.257 0.000) 6.351 1.615 ( -0.812 -2.050 0.000) 2.205 1.975 ( -0.816 0.299 0.000) 0.869 1.976 ( -10.127 3.687 0.000) 10.777 2.040 ( -7.562 1.159 0.000) 7.651 2.152 ( 0.329 0.100 0.000) 0.344 2.245 ( -3.629 -1.538 0.000) 3.941 2.421 ( -12.898 1.768 0.000) 13.018 2.790 ( -8.347 0.853 0.000) 8.390 2.810 ( -19.909 -0.214 0.000) 19.910 2.983 ( 3.057 -0.075 0.000) 3.058 3.149 ( -13.272 -0.068 0.000) 13.272 3.757 ( 2.128 0.435 0.000) 2.172 3.892 ( -1.725 0.124 0.000) 1.729 4.122 ( 1.664 0.101 0.000) 1.667 4.367 ( -2.825 1.067 0.000) 3.020 4.403 ( 0.481 -0.049 0.000) 0.484 4.710 ( -0.100 -0.110 0.000) 0.149 4.776 ( 1.013 -0.094 0.000) 1.017 4.840 ( 4.910 0.046 0.000) 4.911 4.840 ( -6.841 -0.090 0.000) 6.841 4.939 ( 3.173 -0.007 0.000) 3.173 5.070 ( -4.195 0.040 0.000) 4.195 5.322 ( 2.707 0.086 0.000) 2.708 5.401 ( 0.137 -0.080 0.000) 0.159 5.568 ( 3.464 -0.383 0.000) 3.485 5.609 ( 7.784 -1.122 0.000) 7.864 5.983 ( -11.463 -3.990 0.000) 12.138 6.584 ( 13.547 0.223 0.000) 13.548 6.899 ( 5.423 1.620 0.000) 5.659 6.949 ( -3.145 -1.836 0.000) 3.641 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -1.642 10.263 0.000) 10.394 0.882 ( -14.035 3.940 0.000) 14.577 1.061 ( 0.504 -3.864 0.000) 3.897 1.111 ( -10.151 -1.827 0.000) 10.314 1.393 ( -11.476 -9.227 0.000) 14.725 1.467 ( -4.135 0.653 0.000) 4.186 1.605 ( -1.638 -0.514 0.000) 1.717 1.729 ( -10.808 6.717 0.000) 12.726 1.915 ( -5.808 -3.585 0.000) 6.825 1.974 ( 0.668 0.930 0.000) 1.145 2.091 ( -8.523 -0.250 0.000) 8.527 2.191 ( -2.552 -1.195 0.000) 2.818 2.246 ( -4.308 0.458 0.000) 4.333 2.504 ( -10.487 -0.151 0.000) 10.488 2.632 ( -7.500 1.115 0.000) 7.583 2.875 ( -14.899 -0.027 0.000) 14.899 3.030 ( 1.965 -0.315 0.000) 1.990 3.801 ( 2.698 0.954 0.000) 2.861 3.829 ( -4.315 0.225 0.000) 4.321 4.163 ( 2.726 0.259 0.000) 2.739 4.250 ( -8.092 1.426 0.000) 8.217 4.450 ( 4.016 0.215 0.000) 4.022 4.686 ( -9.411 -0.166 0.000) 9.413 4.699 ( -1.324 -0.045 0.000) 1.324 4.776 ( -2.024 -0.426 0.000) 2.068 4.917 ( 3.107 -0.064 0.000) 3.108 4.966 ( -0.190 0.305 0.000) 0.359 4.990 ( -3.674 -0.242 0.000) 3.682 5.380 ( 3.231 0.200 0.000) 3.237 5.407 ( 0.498 -0.218 0.000) 0.544 5.477 ( -18.423 -7.400 0.000) 19.854 5.794 ( 10.084 -2.074 0.000) 10.295 5.854 ( -1.134 -2.378 0.000) 2.634 6.848 ( 14.563 0.849 0.000) 14.588 6.857 ( -3.942 -0.989 0.000) 4.064 7.040 ( 6.653 0.873 0.000) 6.710 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -16.562 4.043 0.000) 17.049 0.773 ( -3.362 15.849 0.000) 16.202 0.988 ( -4.602 -2.088 0.000) 5.054 1.120 ( 2.795 -4.615 0.000) 5.396 1.151 ( -11.528 6.282 0.000) 13.128 1.405 ( -2.082 1.689 0.000) 2.681 1.561 ( -2.379 1.087 0.000) 2.616 1.567 ( -5.763 -1.895 0.000) 6.067 1.864 ( -12.117 -0.172 0.000) 12.118 1.891 ( 0.477 -7.592 0.000) 7.607 1.987 ( 0.624 1.229 0.000) 1.378 2.162 ( -1.202 -1.055 0.000) 1.600 2.264 ( 5.550 -3.107 0.000) 6.361 2.416 ( -1.112 -0.050 0.000) 1.113 2.517 ( -3.753 0.949 0.000) 3.871 2.631 ( -10.107 0.242 0.000) 10.109 3.061 ( 1.108 -0.540 0.000) 1.233 3.749 ( -3.527 0.189 0.000) 3.532 3.831 ( 0.260 0.794 0.000) 0.836 4.100 ( -5.660 0.520 0.000) 5.684 4.220 ( 3.487 0.299 0.000) 3.499 4.509 ( -8.832 -0.104 0.000) 8.833 4.534 ( 4.864 0.622 0.000) 4.904 4.656 ( -4.638 -0.491 0.000) 4.664 4.678 ( -9.523 -2.568 0.000) 9.863 4.871 ( -15.758 -4.362 0.000) 16.351 4.958 ( 1.332 -0.253 0.000) 1.356 4.960 ( -0.602 0.102 0.000) 0.610 5.089 ( -14.558 -3.114 0.000) 14.888 5.415 ( 0.618 -0.085 0.000) 0.624 5.435 ( 1.992 0.062 0.000) 1.993 5.884 ( 2.186 0.221 0.000) 2.197 5.975 ( 6.502 -3.852 0.000) 7.557 6.804 ( -2.264 -1.706 0.000) 2.835 7.096 ( 11.328 0.888 0.000) 11.363 7.139 ( 4.165 1.827 0.000) 4.548 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( -0.000 5.958 0.000) 5.958 0.639 ( -0.000 13.386 0.000) 13.386 0.954 ( 0.000 -1.856 0.000) 1.856 0.971 ( -0.000 21.170 0.000) 21.170 1.182 ( 0.000 -6.112 0.000) 6.112 1.375 ( -0.000 1.368 0.000) 1.368 1.520 ( -0.000 3.907 0.000) 3.907 1.533 ( 0.000 -6.289 0.000) 6.289 1.733 ( -0.000 0.037 0.000) 0.037 1.955 ( 0.000 -9.546 0.000) 9.546 1.987 ( -0.000 1.676 0.000) 1.676 2.155 ( 0.000 -1.414 0.000) 1.414 2.401 ( 0.000 -6.820 0.000) 6.820 2.411 ( 0.000 -0.064 0.000) 0.064 2.497 ( 0.000 -1.994 0.000) 1.994 2.527 ( -0.000 0.671 0.000) 0.671 3.075 ( 0.000 -0.652 0.000) 0.652 3.713 ( -0.000 0.126 0.000) 0.126 3.809 ( -0.000 0.168 0.000) 0.168 4.053 ( -0.000 0.533 0.000) 0.533 4.271 ( -0.000 0.155 0.000) 0.155 4.378 ( -0.000 0.169 0.000) 0.169 4.402 ( -0.000 0.104 0.000) 0.104 4.604 ( -0.000 1.288 0.000) 1.288 4.632 ( -0.000 0.146 0.000) 0.146 4.686 ( -0.000 0.086 0.000) 0.086 4.953 ( -0.000 0.193 0.000) 0.193 4.972 ( 0.000 -0.361 0.000) 0.361 5.016 ( -0.000 1.207 0.000) 1.207 5.421 ( 0.000 -0.208 0.000) 0.208 5.454 ( -0.000 0.191 0.000) 0.191 5.905 ( -0.000 0.488 0.000) 0.488 6.059 ( 0.000 -4.524 0.000) 4.524 6.792 ( 0.000 -2.131 0.000) 2.131 7.169 ( -0.000 2.395 0.000) 2.395 7.214 ( 0.000 -0.018 0.000) 0.018 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -5.264 0.000 0.000) 5.264 1.004 ( 0.644 -0.000 0.000) 0.644 1.109 ( -6.021 0.000 0.000) 6.021 1.374 ( -17.166 0.000 0.000) 17.166 1.442 ( -3.904 0.000 0.000) 3.904 1.581 ( -7.216 0.000 0.000) 7.216 1.603 ( 0.208 -0.000 0.000) 0.208 1.977 ( -0.715 0.000 0.000) 0.715 1.994 ( -8.739 0.000 0.000) 8.739 2.047 ( -9.099 0.000 0.000) 9.099 2.153 ( 0.279 -0.000 0.000) 0.279 2.236 ( -3.571 0.000 0.000) 3.571 2.429 ( -13.088 0.000 0.000) 13.088 2.794 ( -8.325 0.000 0.000) 8.325 2.809 ( -19.906 0.000 0.000) 19.906 2.983 ( 3.015 -0.000 0.000) 3.015 3.149 ( -13.278 0.000 0.000) 13.278 3.760 ( 2.209 -0.000 0.000) 2.209 3.892 ( -1.705 0.000 0.000) 1.705 4.122 ( 1.693 -0.000 0.000) 1.693 4.372 ( -2.710 0.000 0.000) 2.710 4.402 ( 0.518 -0.000 0.000) 0.518 4.710 ( -0.082 0.000 0.000) 0.082 4.775 ( 1.012 -0.000 0.000) 1.012 4.840 ( -6.855 0.000 0.000) 6.855 4.840 ( 4.898 -0.000 0.000) 4.898 4.938 ( 3.233 -0.000 0.000) 3.233 5.070 ( -4.203 0.000 0.000) 4.203 5.322 ( 2.711 -0.000 0.000) 2.711 5.400 ( 0.122 -0.000 0.000) 0.122 5.567 ( 2.974 -0.000 0.000) 2.974 5.603 ( 7.529 -0.000 0.000) 7.529 5.963 ( -11.581 0.000 0.000) 11.581 6.585 ( 13.651 -0.000 0.000) 13.651 6.910 ( 7.228 -0.000 0.000) 7.228 6.938 ( -4.925 0.000 0.000) 4.925 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -15.099 1.870 0.000) 15.215 0.957 ( 3.069 5.789 0.000) 6.552 1.033 ( 1.578 -1.704 0.000) 2.322 1.098 ( -10.458 -0.801 0.000) 10.488 1.312 ( -12.050 -5.612 0.000) 13.293 1.472 ( -3.895 0.255 0.000) 3.903 1.601 ( -0.595 -0.288 0.000) 0.661 1.788 ( -11.655 4.454 0.000) 12.477 1.881 ( -7.577 -2.859 0.000) 8.098 1.980 ( 0.836 0.326 0.000) 0.897 2.089 ( -8.706 -0.090 0.000) 8.706 2.181 ( -2.176 -0.588 0.000) 2.254 2.249 ( -5.381 0.189 0.000) 5.385 2.503 ( -10.400 -0.055 0.000) 10.400 2.639 ( -7.630 0.379 0.000) 7.640 2.875 ( -14.833 -0.002 0.000) 14.833 3.028 ( 1.902 -0.114 0.000) 1.905 3.807 ( 2.745 0.334 0.000) 2.766 3.831 ( -4.323 0.081 0.000) 4.323 4.165 ( 2.749 0.094 0.000) 2.750 4.260 ( -8.373 0.549 0.000) 8.391 4.451 ( 4.130 0.081 0.000) 4.130 4.685 ( -9.407 -0.059 0.000) 9.407 4.699 ( -1.250 0.004 0.000) 1.250 4.772 ( -2.340 -0.195 0.000) 2.348 4.916 ( 3.050 -0.024 0.000) 3.050 4.969 ( 0.043 0.178 0.000) 0.183 4.988 ( -4.203 -0.181 0.000) 4.207 5.382 ( 3.312 0.081 0.000) 3.313 5.405 ( 0.412 -0.090 0.000) 0.422 5.427 ( -20.225 -2.678 0.000) 20.402 5.778 ( 9.866 -0.942 0.000) 9.911 5.842 ( 0.535 -0.446 0.000) 0.696 6.851 ( -4.186 -0.341 0.000) 4.200 6.854 ( 14.645 0.264 0.000) 14.647 7.046 ( 6.981 0.300 0.000) 6.988 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -16.464 2.270 0.000) 16.620 0.919 ( -6.725 13.565 0.000) 15.140 0.969 ( -4.608 -1.550 0.000) 4.862 1.086 ( 2.700 -2.316 0.000) 3.557 1.163 ( -0.950 -3.536 0.000) 3.661 1.421 ( -1.621 1.262 0.000) 2.054 1.556 ( -8.767 1.543 0.000) 8.901 1.586 ( -2.054 1.699 0.000) 2.665 1.824 ( -0.857 -5.789 0.000) 5.852 1.863 ( -12.116 -0.083 0.000) 12.117 1.996 ( 0.774 0.625 0.000) 0.995 2.153 ( -1.289 -0.600 0.000) 1.422 2.235 ( 3.125 -2.506 0.000) 4.005 2.416 ( -1.109 -0.031 0.000) 1.110 2.523 ( -4.063 0.412 0.000) 4.083 2.633 ( -9.956 0.161 0.000) 9.958 3.057 ( 1.073 -0.308 0.000) 1.116 3.751 ( -3.578 0.107 0.000) 3.580 3.837 ( -0.291 0.373 0.000) 0.473 4.104 ( -5.969 0.281 0.000) 5.975 4.222 ( 3.435 0.171 0.000) 3.439 4.508 ( -8.752 -0.057 0.000) 8.752 4.539 ( 4.993 0.369 0.000) 5.006 4.643 ( -13.484 -1.781 0.000) 13.601 4.664 ( -3.400 -0.423 0.000) 3.426 4.842 ( -14.541 -1.700 0.000) 14.640 4.956 ( 1.278 -0.145 0.000) 1.286 4.961 ( -0.529 0.085 0.000) 0.536 5.073 ( -8.640 -0.701 0.000) 8.669 5.414 ( 0.509 -0.041 0.000) 0.511 5.435 ( 2.098 0.019 0.000) 2.098 5.887 ( 2.460 0.233 0.000) 2.471 5.944 ( 6.285 -2.281 0.000) 6.686 6.791 ( -2.336 -0.898 0.000) 2.503 7.102 ( 10.932 0.370 0.000) 10.939 7.153 ( 4.329 0.972 0.000) 4.437 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( -0.000 3.777 0.000) 3.777 0.754 ( -0.000 9.728 0.000) 9.728 0.934 ( 0.000 -1.979 0.000) 1.979 1.134 ( 0.000 -3.706 0.000) 3.706 1.156 ( -0.000 16.276 0.000) 16.276 1.388 ( -0.000 1.274 0.000) 1.274 1.473 ( 0.000 -5.753 0.000) 5.753 1.557 ( -0.000 3.545 0.000) 3.545 1.733 ( -0.000 0.026 0.000) 0.026 1.865 ( 0.000 -8.610 0.000) 8.610 2.000 ( -0.000 1.019 0.000) 1.019 2.143 ( 0.000 -1.011 0.000) 1.011 2.327 ( 0.000 -7.368 0.000) 7.368 2.410 ( 0.000 -0.047 0.000) 0.047 2.489 ( 0.000 -0.258 0.000) 0.258 2.532 ( -0.000 0.455 0.000) 0.455 3.069 ( 0.000 -0.467 0.000) 0.467 3.714 ( -0.000 0.089 0.000) 0.089 3.811 ( -0.000 0.118 0.000) 0.118 4.058 ( -0.000 0.372 0.000) 0.372 4.273 ( -0.000 0.117 0.000) 0.117 4.379 ( -0.000 0.120 0.000) 0.120 4.403 ( -0.000 0.074 0.000) 0.074 4.616 ( -0.000 1.004 0.000) 1.004 4.633 ( -0.000 0.104 0.000) 0.104 4.686 ( -0.000 0.061 0.000) 0.061 4.955 ( -0.000 0.145 0.000) 0.145 4.969 ( 0.000 -0.259 0.000) 0.259 5.026 ( -0.000 0.832 0.000) 0.832 5.420 ( 0.000 -0.130 0.000) 0.130 5.455 ( -0.000 0.100 0.000) 0.100 5.909 ( -0.000 0.481 0.000) 0.481 6.019 ( 0.000 -3.425 0.000) 3.425 6.775 ( 0.000 -1.382 0.000) 1.382 7.188 ( -0.000 1.578 0.000) 1.578 7.214 ( 0.000 -0.011 0.000) 0.011 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -16.478 0.000 0.000) 16.478 0.961 ( -4.633 0.000 0.000) 4.633 1.006 ( -15.796 0.000 0.000) 15.796 1.074 ( 2.712 -0.000 0.000) 2.712 1.123 ( 10.783 -0.000 0.000) 10.783 1.427 ( -1.307 0.000 0.000) 1.307 1.571 ( -10.359 0.000 0.000) 10.359 1.594 ( -1.661 0.000 0.000) 1.661 1.791 ( -1.318 0.000 0.000) 1.318 1.862 ( -12.112 0.000 0.000) 12.112 1.999 ( 0.818 -0.000 0.000) 0.818 2.151 ( -1.280 0.000 0.000) 1.280 2.222 ( 2.063 -0.000 0.000) 2.063 2.416 ( -1.108 0.000 0.000) 1.108 2.525 ( -4.179 0.000 0.000) 4.179 2.634 ( -9.904 0.000 0.000) 9.904 3.055 ( 1.060 -0.000 0.000) 1.060 3.751 ( -3.597 0.000 0.000) 3.597 3.839 ( -0.493 0.000 0.000) 0.493 4.106 ( -6.082 0.000 0.000) 6.082 4.223 ( 3.416 -0.000 0.000) 3.416 4.508 ( -8.723 0.000 0.000) 8.723 4.541 ( 5.029 -0.000 0.000) 5.029 4.634 ( -15.175 0.000 0.000) 15.175 4.662 ( -2.375 0.000 0.000) 2.375 4.834 ( -13.642 0.000 0.000) 13.642 4.955 ( 1.258 -0.000 0.000) 1.258 4.961 ( -0.512 0.000 0.000) 0.512 5.070 ( -7.260 0.000 0.000) 7.260 5.414 ( 0.470 -0.000 0.000) 0.470 5.435 ( 2.135 -0.000 0.000) 2.135 5.888 ( 2.564 -0.000 0.000) 2.564 5.933 ( 6.176 -0.000 0.000) 6.176 6.787 ( -2.362 0.000 0.000) 2.362 7.104 ( 10.810 -0.000 0.000) 10.810 7.157 ( 4.388 -0.000 0.000) 4.388 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -0.000 1.287 0.000) 1.287 0.821 ( -0.000 3.738 0.000) 3.738 0.919 ( 0.000 -0.877 0.000) 0.877 1.110 ( 0.000 -1.188 0.000) 1.188 1.273 ( -0.000 6.779 0.000) 6.779 1.401 ( -0.000 1.578 0.000) 1.578 1.427 ( 0.000 -3.534 0.000) 3.534 1.584 ( -0.000 1.678 0.000) 1.678 1.733 ( -0.000 0.009 0.000) 0.009 1.798 ( 0.000 -4.200 0.000) 4.200 2.006 ( -0.000 0.340 0.000) 0.340 2.136 ( 0.000 -0.367 0.000) 0.367 2.273 ( 0.000 -3.108 0.000) 3.108 2.410 ( 0.000 -0.018 0.000) 0.018 2.488 ( 0.000 -0.035 0.000) 0.035 2.535 ( -0.000 0.160 0.000) 0.160 3.066 ( 0.000 -0.169 0.000) 0.169 3.715 ( -0.000 0.032 0.000) 0.032 3.811 ( -0.000 0.043 0.000) 0.043 4.060 ( -0.000 0.133 0.000) 0.133 4.273 ( -0.000 0.044 0.000) 0.044 4.380 ( -0.000 0.043 0.000) 0.043 4.404 ( -0.000 0.027 0.000) 0.027 4.623 ( -0.000 0.383 0.000) 0.383 4.634 ( -0.000 0.037 0.000) 0.037 4.687 ( -0.000 0.022 0.000) 0.022 4.956 ( -0.000 0.053 0.000) 0.053 4.967 ( 0.000 -0.094 0.000) 0.094 5.032 ( -0.000 0.296 0.000) 0.296 5.419 ( 0.000 -0.045 0.000) 0.045 5.456 ( -0.000 0.030 0.000) 0.030 5.913 ( -0.000 0.245 0.000) 0.245 5.995 ( 0.000 -1.326 0.000) 1.326 6.766 ( 0.000 -0.477 0.000) 0.477 7.199 ( -0.000 0.550 0.000) 0.550 7.213 ( 0.000 -0.003 0.000) 0.003 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.198 ( 0.000 0.000 11.407) 11.407 0.396 ( 0.000 0.000 20.810) 20.810 0.628 ( 0.000 0.000 21.882) 21.882 1.012 ( 0.000 0.000 3.604) 3.604 1.265 ( 0.000 0.000 -7.814) 7.814 1.374 ( 0.000 0.000 -2.094) 2.094 1.479 ( 0.000 0.000 6.925) 6.925 1.681 ( 0.000 0.000 0.199) 0.199 1.720 ( 0.000 0.000 -1.024) 1.024 2.016 ( 0.000 0.000 3.805) 3.805 2.187 ( 0.000 0.000 -1.214) 1.214 2.234 ( 0.000 0.000 1.844) 1.844 2.234 ( 0.000 0.000 3.805) 3.805 2.314 ( 0.000 0.000 -7.265) 7.265 2.443 ( 0.000 0.000 -0.799) 0.799 2.480 ( 0.000 0.000 -2.659) 2.659 3.243 ( 0.000 0.000 2.474) 2.474 3.719 ( 0.000 0.000 0.992) 0.992 3.796 ( 0.000 0.000 -0.915) 0.915 3.867 ( 0.000 0.000 -15.359) 15.359 4.323 ( 0.000 0.000 4.007) 4.007 4.377 ( 0.000 0.000 0.367) 0.367 4.398 ( 0.000 0.000 -0.165) 0.165 4.545 ( 0.000 0.000 -2.790) 2.790 4.633 ( 0.000 0.000 0.539) 0.539 4.677 ( 0.000 0.000 -0.570) 0.570 4.949 ( 0.000 0.000 0.700) 0.700 4.977 ( 0.000 0.000 -0.076) 0.076 5.357 ( 0.000 0.000 -0.863) 0.863 5.410 ( 0.000 0.000 -2.007) 2.007 5.974 ( 0.000 0.000 8.138) 8.138 6.130 ( 0.000 0.000 6.068) 6.068 6.561 ( 0.000 0.000 -4.368) 4.368 6.674 ( 0.000 0.000 -11.960) 11.960 7.038 ( 0.000 0.000 7.349) 7.349 7.265 ( 0.000 0.000 -1.378) 1.378 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 15.566 -1.958 6.450) 16.963 0.552 ( 12.699 -2.916 12.504) 18.059 0.834 ( 16.283 -2.478 7.109) 17.940 1.104 ( 11.655 -0.589 11.499) 16.383 1.256 ( -1.878 0.244 -6.558) 6.826 1.389 ( 3.530 0.660 -0.415) 3.615 1.492 ( 1.627 -0.501 5.731) 5.978 1.742 ( 5.775 1.282 0.071) 5.916 1.837 ( 10.258 0.519 -3.864) 10.973 1.985 ( -1.485 0.224 5.413) 5.617 2.137 ( -3.662 0.918 -0.046) 3.775 2.182 ( -3.107 0.304 1.001) 3.279 2.262 ( 1.956 -0.204 -0.084) 1.968 2.359 ( 3.509 -0.316 -3.584) 5.026 2.467 ( 3.401 -0.608 0.011) 3.455 2.595 ( 10.748 -0.055 -2.718) 11.086 3.161 ( -3.912 0.058 6.206) 7.337 3.736 ( -3.926 -0.474 -6.594) 7.689 3.758 ( 3.528 -0.101 1.430) 3.808 3.948 ( 6.221 -0.093 -9.422) 11.291 4.248 ( -3.829 -0.197 2.082) 4.363 4.430 ( -1.686 -0.278 -7.523) 7.714 4.529 ( 9.367 0.054 1.530) 9.491 4.664 ( 2.802 0.027 0.488) 2.845 4.704 ( 7.646 0.391 -3.531) 8.431 4.743 ( 7.569 0.212 -7.494) 10.653 4.952 ( 0.340 -0.087 0.509) 0.618 4.984 ( 0.863 -0.184 -0.250) 0.917 5.337 ( -2.039 0.134 -2.444) 3.186 5.398 ( -1.363 0.091 -2.560) 2.901 5.977 ( -0.717 0.036 8.526) 8.556 6.060 ( -5.905 3.188 7.298) 9.915 6.427 ( -5.312 12.230 2.059) 13.492 6.666 ( -2.533 -3.111 -12.392) 13.026 7.028 ( -1.526 -1.792 6.525) 6.937 7.145 ( -7.565 0.093 4.888) 9.008 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 18.238 1.447 4.148) 18.759 0.806 ( 11.628 -2.148 4.882) 12.793 1.126 ( 13.783 -2.135 -1.721) 14.053 1.207 ( -2.050 1.018 -2.719) 3.554 1.436 ( 18.748 -2.651 10.530) 21.665 1.493 ( 7.135 0.788 2.739) 7.683 1.554 ( 4.588 -2.151 2.215) 5.530 1.862 ( 7.668 5.625 2.296) 9.783 1.963 ( 0.113 2.055 0.920) 2.254 1.995 ( 3.829 0.785 -3.480) 5.233 2.084 ( -0.500 -1.332 -0.624) 1.554 2.147 ( -0.234 -1.858 1.847) 2.630 2.312 ( 2.168 0.306 2.165) 3.079 2.453 ( 8.871 -0.391 -4.408) 9.914 2.606 ( 10.888 -0.511 3.123) 11.338 2.836 ( 13.434 0.070 -3.803) 13.962 3.112 ( -1.419 0.058 5.866) 6.036 3.677 ( -2.559 -0.854 -8.056) 8.496 3.839 ( 4.537 -0.193 2.173) 5.034 4.067 ( 5.305 -0.379 -6.403) 8.324 4.208 ( -0.182 -0.563 0.703) 0.919 4.384 ( -2.575 -0.313 -5.464) 6.049 4.698 ( 6.911 0.211 0.279) 6.920 4.716 ( 3.423 0.106 0.969) 3.560 4.778 ( 1.490 0.127 -0.918) 1.755 4.832 ( 1.746 0.057 -6.070) 6.317 4.965 ( 0.953 -0.131 0.806) 1.255 5.010 ( 1.854 -0.104 0.848) 2.042 5.288 ( -2.806 0.125 -4.772) 5.537 5.356 ( -3.066 0.168 -4.726) 5.636 5.901 ( -7.492 2.055 10.610) 13.150 5.928 ( -6.101 -0.782 10.238) 11.944 6.320 ( -0.772 9.875 -1.783) 10.064 6.596 ( -6.595 -2.526 -10.836) 12.934 7.014 ( -0.552 -0.005 5.257) 5.286 7.019 ( -5.455 0.027 4.233) 6.904 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 5.507 -0.762 1.756) 5.830 1.058 ( 17.241 3.853 2.060) 17.786 1.168 ( -0.054 1.255 -0.553) 1.373 1.408 ( 14.311 -0.890 -1.084) 14.380 1.623 ( 8.498 0.806 2.177) 8.809 1.671 ( 5.694 -1.333 0.673) 5.887 1.726 ( 8.462 -1.947 4.268) 9.675 1.894 ( 0.674 5.594 1.894) 5.944 1.941 ( -0.902 2.062 -1.128) 2.518 2.043 ( 2.251 0.319 -0.462) 2.320 2.117 ( 0.809 -2.237 0.499) 2.431 2.283 ( 13.192 -3.315 5.334) 14.610 2.329 ( 1.488 -0.941 3.098) 3.564 2.668 ( 11.334 -1.167 -4.574) 12.277 2.877 ( 17.381 0.175 3.710) 17.774 2.977 ( -0.564 0.083 -1.076) 1.218 3.179 ( 9.782 0.116 2.649) 10.135 3.649 ( -0.883 -0.633 -8.229) 8.300 3.909 ( 2.185 -0.258 2.775) 3.542 4.115 ( 0.537 -0.220 -0.244) 0.629 4.253 ( 2.916 -0.916 -4.569) 5.497 4.357 ( 0.103 -0.135 -4.537) 4.541 4.729 ( 0.255 0.335 0.571) 0.709 4.774 ( -1.027 0.110 -0.627) 1.208 4.818 ( -1.383 -0.052 -1.982) 2.417 4.820 ( 1.923 0.013 -2.111) 2.856 4.980 ( 0.574 0.043 3.630) 3.675 5.058 ( 2.716 -0.099 0.109) 2.720 5.245 ( -1.420 0.129 -5.074) 5.271 5.293 ( -2.845 0.112 -7.393) 7.922 5.758 ( -6.275 0.719 11.860) 13.437 5.799 ( -7.666 -0.251 12.810) 14.930 6.276 ( -0.283 6.564 -5.542) 8.595 6.454 ( -9.100 -1.813 -8.038) 12.276 6.912 ( -4.954 0.402 5.452) 7.378 7.036 ( 2.149 1.020 1.591) 2.862 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.966 0.351 1.210) 1.587 1.142 ( -0.877 -0.525 -1.515) 1.827 1.368 ( 16.051 6.506 3.059) 17.588 1.636 ( 8.607 2.345 -2.905) 9.382 1.729 ( 2.469 3.265 0.622) 4.140 1.734 ( -3.258 6.841 -0.329) 7.584 1.820 ( 11.345 -1.957 5.217) 12.639 1.959 ( 4.926 -5.143 2.366) 7.504 1.983 ( 5.896 -2.130 -1.772) 6.514 2.069 ( 0.321 -0.951 -1.246) 1.600 2.139 ( 1.101 -1.613 4.351) 4.769 2.303 ( -2.364 -1.201 2.658) 3.754 2.629 ( 16.822 -2.820 5.582) 17.947 2.863 ( 8.790 -1.023 -3.610) 9.557 2.911 ( -5.188 0.067 1.396) 5.373 3.203 ( 15.967 0.285 1.297) 16.022 3.344 ( 6.051 -0.153 1.020) 6.138 3.644 ( 0.008 -0.057 -8.194) 8.194 3.909 ( -2.344 -0.096 2.901) 3.731 4.132 ( 1.752 0.033 1.599) 2.372 4.255 ( -3.863 -0.600 -5.044) 6.382 4.408 ( 5.525 0.086 -4.829) 7.338 4.724 ( -0.287 0.307 0.348) 0.545 4.737 ( -3.227 -0.068 -0.412) 3.253 4.775 ( -0.082 0.230 0.031) 0.246 4.840 ( 0.080 0.188 -3.301) 3.308 5.000 ( 1.725 0.070 4.303) 4.636 5.092 ( 0.667 0.074 -1.982) 2.093 5.231 ( -0.541 -0.107 -3.099) 3.147 5.265 ( -0.331 0.076 -7.369) 7.377 5.650 ( -6.500 0.403 13.737) 15.203 5.671 ( -4.532 -0.346 11.655) 12.510 6.228 ( -2.854 3.196 -6.522) 7.803 6.298 ( -7.150 -0.345 -7.278) 10.208 6.831 ( -3.346 0.549 6.858) 7.650 7.074 ( 2.250 1.303 -0.743) 2.704 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.110 -0.003 0.989) 0.995 1.116 ( -2.046 -0.542 -1.036) 2.356 1.566 ( 3.209 8.475 3.204) 9.612 1.656 ( 4.695 4.181 0.326) 6.295 1.663 ( -0.811 2.620 -0.362) 2.766 1.834 ( 7.476 3.590 -2.635) 8.702 2.005 ( 4.943 -2.566 6.448) 8.520 2.058 ( 0.062 -3.230 0.077) 3.232 2.080 ( 3.050 -3.855 1.019) 5.021 2.149 ( 9.635 -0.709 -1.503) 9.777 2.195 ( 4.675 -2.345 3.682) 6.396 2.242 ( -4.390 -1.964 2.388) 5.369 2.774 ( -7.347 -0.293 -0.157) 7.355 2.916 ( 9.999 -0.984 5.767) 11.585 3.002 ( 5.436 -0.388 -3.551) 6.504 3.405 ( 1.041 -0.515 2.117) 2.415 3.436 ( 8.588 0.129 -0.264) 8.594 3.647 ( 0.395 0.468 -8.822) 8.843 3.837 ( -4.525 0.111 2.396) 5.121 4.101 ( -7.888 -0.319 -4.694) 9.184 4.221 ( 4.252 0.163 3.709) 5.645 4.545 ( 8.031 0.172 -6.199) 10.147 4.693 ( -0.887 -0.038 0.625) 1.086 4.731 ( 1.219 0.161 -0.170) 1.242 4.801 ( 2.697 0.442 -0.170) 2.738 4.846 ( 0.432 0.313 -2.099) 2.166 5.036 ( 1.890 -0.008 2.966) 3.517 5.080 ( -1.775 0.150 -2.415) 3.001 5.209 ( -2.045 -0.286 -1.923) 2.822 5.264 ( 0.016 0.096 -6.724) 6.725 5.537 ( -4.672 0.093 15.563) 16.249 5.611 ( -2.473 -0.447 8.888) 9.237 6.124 ( -5.993 0.074 -2.971) 6.690 6.216 ( -2.171 1.534 -10.521) 10.851 6.780 ( -1.904 0.477 8.077) 8.312 7.103 ( 1.344 1.008 -2.139) 2.720 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.428 -0.396 0.580) 0.823 1.080 ( -1.542 0.077 -0.517) 1.628 1.503 ( -1.944 2.718 2.709) 4.302 1.640 ( -0.434 0.942 -1.075) 1.494 1.786 ( 5.911 3.312 2.058) 7.081 1.937 ( 5.553 3.020 -1.214) 6.437 2.041 ( -3.573 -3.188 0.516) 4.817 2.043 ( -0.034 -0.658 3.942) 3.997 2.102 ( -2.221 -1.752 4.235) 5.092 2.220 ( 1.476 -1.333 0.918) 2.190 2.253 ( 1.905 -1.594 -0.402) 2.516 2.388 ( 12.025 0.149 0.702) 12.046 2.602 ( -10.479 -0.226 1.295) 10.561 3.044 ( 3.149 -0.087 3.739) 4.889 3.068 ( 1.658 0.011 -3.472) 3.848 3.414 ( 0.058 -0.383 3.076) 3.100 3.533 ( 2.247 0.041 -0.444) 2.291 3.653 ( 0.350 0.382 -10.277) 10.290 3.768 ( -2.085 0.085 1.886) 2.813 3.974 ( -4.190 -0.310 -3.401) 5.406 4.304 ( 3.057 0.151 4.230) 5.221 4.635 ( 1.061 0.061 -3.400) 3.563 4.731 ( 3.929 0.013 -3.757) 5.436 4.758 ( 1.235 0.017 -1.075) 1.637 4.842 ( -0.127 0.230 -0.458) 0.528 4.853 ( 1.722 0.278 -0.466) 1.805 5.035 ( -2.200 0.049 -1.034) 2.431 5.065 ( 0.997 -0.031 2.197) 2.413 5.167 ( -1.868 -0.212 -1.082) 2.169 5.262 ( -0.146 0.074 -5.839) 5.842 5.481 ( -1.424 -0.003 16.100) 16.163 5.581 ( -0.896 -0.267 5.955) 6.028 6.040 ( -2.528 -0.003 -1.153) 2.779 6.183 ( -0.820 0.568 -11.503) 11.546 6.755 ( -0.634 0.185 8.681) 8.706 7.115 ( 0.402 0.375 -2.789) 2.843 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 19.034 -0.000 3.749) 19.399 0.794 ( 12.165 -0.000 5.142) 13.207 1.114 ( 14.606 -0.000 -1.487) 14.681 1.212 ( -2.435 0.000 -3.411) 4.192 1.423 ( 18.867 -0.000 12.014) 22.368 1.499 ( 7.281 -0.000 -0.585) 7.304 1.542 ( 4.037 -0.000 4.187) 5.817 1.891 ( 9.556 -0.000 2.723) 9.936 1.974 ( 0.362 -0.000 4.274) 4.289 2.000 ( 4.187 -0.000 -6.318) 7.579 2.074 ( -2.899 0.000 -1.142) 3.116 2.138 ( -0.781 0.000 1.944) 2.095 2.313 ( 2.284 -0.000 1.957) 3.008 2.451 ( 8.677 -0.000 -4.370) 9.716 2.604 ( 11.096 -0.000 3.277) 11.570 2.836 ( 13.445 -0.000 -3.812) 13.975 3.112 ( -1.396 0.000 5.771) 5.937 3.673 ( -2.471 0.000 -8.067) 8.437 3.838 ( 4.522 -0.000 2.159) 5.011 4.065 ( 5.326 -0.000 -6.424) 8.345 4.205 ( -0.239 0.000 0.698) 0.738 4.383 ( -2.509 0.000 -5.552) 6.093 4.699 ( 6.922 -0.000 0.302) 6.929 4.716 ( 3.436 -0.000 0.963) 3.569 4.778 ( 1.479 -0.000 -0.872) 1.717 4.833 ( 1.611 -0.000 -6.093) 6.303 4.964 ( 0.986 -0.000 0.801) 1.270 5.010 ( 1.880 -0.000 0.845) 2.062 5.288 ( -2.823 0.000 -4.769) 5.542 5.356 ( -3.079 0.000 -4.735) 5.647 5.916 ( -8.914 0.000 9.195) 12.806 5.919 ( -5.235 0.000 11.388) 12.533 6.373 ( -2.791 0.000 -4.121) 4.977 6.580 ( -6.219 0.000 -9.880) 11.675 7.014 ( 0.606 -0.000 4.860) 4.898 7.019 ( -6.085 0.000 5.103) 7.941 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 6.088 -0.276 1.829) 6.363 1.087 ( 17.009 1.748 1.365) 17.153 1.178 ( 0.283 0.551 -0.280) 0.680 1.399 ( 15.252 -0.701 -0.816) 15.290 1.634 ( 7.602 1.588 -0.076) 7.767 1.653 ( 6.956 -2.109 -0.218) 7.272 1.710 ( 10.713 -0.913 8.376) 13.629 1.939 ( -1.539 2.923 -0.364) 3.324 1.959 ( -3.864 1.026 0.071) 3.998 2.055 ( 1.986 2.400 -1.935) 3.667 2.088 ( 1.719 -3.487 0.952) 4.002 2.256 ( 15.812 -1.684 6.389) 17.137 2.324 ( -0.603 -0.140 3.219) 3.278 2.660 ( 11.337 -0.432 -4.595) 12.240 2.879 ( 17.533 0.066 3.727) 17.925 2.978 ( -0.564 0.027 -1.084) 1.223 3.180 ( 9.720 0.045 2.636) 10.072 3.645 ( -0.656 -0.233 -8.211) 8.240 3.907 ( 2.226 -0.095 2.730) 3.524 4.113 ( 0.638 -0.079 -0.293) 0.706 4.247 ( 3.022 -0.321 -4.508) 5.436 4.356 ( 0.199 -0.050 -4.624) 4.629 4.731 ( 0.274 0.128 0.535) 0.614 4.775 ( -1.041 0.038 -0.614) 1.209 4.817 ( -2.883 -0.048 -1.871) 3.437 4.820 ( 3.407 0.031 -2.258) 4.087 4.981 ( 0.635 0.021 3.654) 3.709 5.057 ( 2.751 -0.042 0.123) 2.754 5.246 ( -1.448 0.051 -4.900) 5.110 5.293 ( -2.910 0.028 -7.516) 8.060 5.764 ( -6.674 0.325 11.715) 13.487 5.797 ( -7.461 -0.164 12.808) 14.824 6.324 ( -1.890 2.933 -7.485) 8.258 6.437 ( -8.825 -1.230 -7.233) 11.477 6.915 ( -4.898 0.196 6.004) 7.750 7.043 ( 2.289 0.358 1.635) 2.836 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 1.110 0.240 1.049) 1.546 1.138 ( -1.233 -0.346 -1.506) 1.976 1.425 ( 16.859 4.637 2.750) 17.700 1.654 ( 9.625 1.268 -2.177) 9.949 1.748 ( 4.126 1.018 1.826) 4.625 1.796 ( 3.536 2.086 -0.418) 4.127 1.807 ( 2.380 2.607 2.645) 4.411 1.910 ( 3.971 -4.705 3.919) 7.298 1.970 ( 5.555 -0.708 -3.107) 6.404 2.062 ( -0.238 -0.551 -2.447) 2.520 2.124 ( 1.268 -1.380 5.357) 5.675 2.292 ( -2.992 -0.899 3.493) 4.686 2.607 ( 17.737 -1.617 5.987) 18.790 2.855 ( 9.075 -0.564 -3.701) 9.817 2.912 ( -5.233 0.039 1.521) 5.449 3.205 ( 15.905 0.159 1.279) 15.957 3.343 ( 5.906 -0.093 1.047) 5.999 3.644 ( 0.276 -0.029 -8.137) 8.142 3.908 ( -2.237 -0.057 2.878) 3.646 4.133 ( 1.858 0.020 1.602) 2.454 4.250 ( -3.641 -0.334 -4.937) 6.143 4.409 ( 5.586 0.049 -4.873) 7.413 4.726 ( -0.372 0.175 0.313) 0.516 4.736 ( -3.270 -0.044 -0.421) 3.297 4.777 ( 0.100 0.145 0.029) 0.179 4.842 ( 0.117 0.100 -3.321) 3.325 5.001 ( 1.686 0.043 4.322) 4.640 5.092 ( 0.727 0.023 -1.860) 1.997 5.230 ( -0.656 -0.052 -3.020) 3.090 5.265 ( -0.315 0.035 -7.417) 7.424 5.653 ( -6.875 0.326 13.837) 15.454 5.668 ( -4.349 -0.297 11.530) 12.326 6.255 ( -5.601 2.239 -6.173) 8.631 6.293 ( -5.242 -0.683 -8.534) 10.039 6.836 ( -3.346 0.387 7.467) 8.192 7.084 ( 2.133 0.717 -0.688) 2.353 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.215 0.024 0.854) 0.881 1.112 ( -1.741 -0.383 -1.049) 2.068 1.647 ( -0.035 7.761 2.399) 8.124 1.684 ( 0.122 2.181 0.446) 2.230 1.697 ( 4.725 3.481 0.107) 5.870 1.870 ( 7.253 3.884 -1.429) 8.351 1.970 ( 5.537 -4.549 2.816) 7.700 2.011 ( 2.633 -4.988 1.696) 5.890 2.061 ( 0.876 -1.049 0.261) 1.391 2.140 ( 7.657 -0.906 -2.170) 8.010 2.176 ( 6.728 -1.388 5.570) 8.844 2.225 ( -4.129 -1.499 2.954) 5.293 2.771 ( -7.103 -0.231 -0.202) 7.109 2.908 ( 10.401 -0.696 6.161) 12.109 2.998 ( 5.746 -0.266 -3.711) 6.845 3.401 ( 0.967 -0.328 2.163) 2.392 3.437 ( 8.534 0.087 -0.290) 8.539 3.651 ( 0.505 0.316 -8.797) 8.817 3.838 ( -4.480 0.076 2.426) 5.095 4.098 ( -8.026 -0.239 -4.522) 9.215 4.223 ( 4.417 0.121 3.803) 5.830 4.547 ( 8.029 0.125 -6.177) 10.131 4.693 ( -0.865 -0.028 0.625) 1.067 4.732 ( 1.156 0.120 -0.180) 1.176 4.805 ( 2.709 0.339 -0.191) 2.737 4.849 ( 0.432 0.192 -2.138) 2.190 5.036 ( 1.862 -0.005 2.987) 3.519 5.081 ( -1.794 0.089 -2.318) 2.933 5.207 ( -2.072 -0.199 -1.936) 2.843 5.265 ( 0.018 0.068 -6.685) 6.685 5.538 ( -4.764 0.066 15.633) 16.343 5.608 ( -2.479 -0.309 8.873) 9.218 6.125 ( -6.216 0.103 -2.734) 6.791 6.229 ( -2.489 0.999 -11.292) 11.606 6.784 ( -2.019 0.387 8.529) 8.773 7.111 ( 1.077 0.702 -2.088) 2.452 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.620 -0.244 0.559) 0.869 1.080 ( -1.482 -0.026 -0.587) 1.594 1.535 ( -4.130 3.649 2.364) 5.996 1.646 ( -1.577 0.279 -0.746) 1.766 1.816 ( 2.589 2.568 2.000) 4.159 1.962 ( 3.370 1.586 -1.129) 3.892 2.008 ( -1.384 -2.827 0.638) 3.212 2.040 ( 0.911 -0.109 3.428) 3.548 2.088 ( -0.205 -1.117 4.571) 4.710 2.209 ( 2.542 -0.866 0.900) 2.832 2.236 ( 3.161 -1.840 -0.422) 3.681 2.389 ( 12.077 0.128 0.794) 12.103 2.600 ( -10.449 -0.190 1.340) 10.536 3.043 ( 3.256 -0.222 3.855) 5.051 3.069 ( 1.725 0.050 -3.626) 4.016 3.411 ( 0.431 -0.167 3.164) 3.197 3.533 ( 2.202 0.020 -0.442) 2.246 3.656 ( 0.017 0.231 -10.344) 10.346 3.769 ( -2.163 0.057 1.910) 2.886 3.971 ( -3.962 -0.246 -3.231) 5.118 4.306 ( 2.934 0.129 4.272) 5.185 4.636 ( 0.988 0.046 -3.351) 3.494 4.731 ( 3.920 0.009 -3.755) 5.428 4.758 ( 1.193 0.029 -1.048) 1.588 4.844 ( -0.385 0.214 -0.509) 0.673 4.856 ( 1.617 0.201 -0.525) 1.712 5.035 ( -2.263 0.032 -1.011) 2.479 5.065 ( 1.014 -0.026 2.194) 2.418 5.165 ( -1.708 -0.168 -1.060) 2.018 5.262 ( -0.202 0.054 -5.821) 5.825 5.480 ( -1.431 -0.002 16.162) 16.225 5.579 ( -0.676 -0.217 5.928) 5.971 6.040 ( -2.519 0.016 -1.065) 2.735 6.188 ( -1.361 0.452 -11.761) 11.848 6.756 ( -0.816 0.161 8.853) 8.892 7.119 ( 0.044 0.309 -2.768) 2.785 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -0.365 0.512 0.555) 0.838 1.079 ( 1.784 -0.221 -0.398) 1.841 1.484 ( -0.584 -1.170 2.985) 3.259 1.627 ( -0.772 -1.672 -0.974) 2.084 1.754 ( -7.866 -3.035 1.733) 8.608 1.908 ( -5.558 -2.789 -1.719) 6.452 2.050 ( 0.520 0.834 4.066) 4.183 2.064 ( 1.722 1.415 2.598) 3.423 2.123 ( 5.213 2.577 2.629) 6.382 2.234 ( -0.306 1.542 0.791) 1.760 2.266 ( -0.530 1.056 -0.319) 1.224 2.386 ( -11.980 -0.137 0.597) 11.996 2.605 ( 10.506 0.212 1.245) 10.581 3.044 ( -2.960 -0.094 3.630) 4.685 3.068 ( -1.625 0.034 -3.350) 3.723 3.418 ( 0.290 0.551 3.030) 3.094 3.532 ( -2.289 -0.057 -0.483) 2.341 3.649 ( -0.665 -0.474 -10.187) 10.220 3.768 ( 2.010 -0.094 1.864) 2.743 3.977 ( 4.406 0.302 -3.598) 5.697 4.303 ( -3.187 -0.138 4.187) 5.264 4.635 ( -1.138 -0.062 -3.457) 3.640 4.731 ( -3.930 -0.016 -3.767) 5.444 4.758 ( -1.276 0.003 -1.110) 1.691 4.840 ( -0.052 -0.189 -0.397) 0.443 4.850 ( -1.941 -0.299 -0.394) 2.003 5.034 ( 2.127 -0.056 -1.061) 2.378 5.065 ( -0.977 0.029 2.198) 2.405 5.169 ( 2.034 0.209 -1.100) 2.322 5.261 ( 0.090 -0.079 -5.865) 5.866 5.481 ( 1.418 0.002 16.036) 16.098 5.584 ( 1.135 0.257 5.981) 6.093 6.040 ( 2.561 0.029 -1.245) 2.848 6.177 ( 0.202 -0.561 -11.226) 11.242 6.753 ( 0.461 -0.164 8.495) 8.509 7.112 ( -0.787 -0.356 -2.811) 2.941 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.435 0.049 1.166) 1.245 1.122 ( 2.350 0.592 -0.997) 2.621 1.487 ( -5.155 -7.478 3.812) 9.850 1.613 ( -3.646 -4.395 0.217) 5.714 1.640 ( -0.845 -2.183 -0.515) 2.397 1.801 ( -7.439 -3.065 -3.736) 8.871 2.023 ( -4.499 1.379 8.885) 10.054 2.074 ( 0.676 1.057 0.486) 1.345 2.130 ( -3.818 5.229 0.253) 6.479 2.155 ( -9.760 0.641 -0.666) 9.804 2.219 ( -3.865 2.488 2.120) 5.061 2.261 ( 4.292 1.770 1.769) 4.969 2.776 ( 7.542 0.275 -0.129) 7.548 2.927 ( -9.355 1.045 5.327) 10.816 3.006 ( -5.050 0.430 -3.370) 6.087 3.411 ( -1.188 0.619 2.058) 2.455 3.435 ( -8.656 -0.146 -0.239) 8.660 3.642 ( -0.230 -0.532 -8.846) 8.865 3.836 ( 4.580 -0.123 2.358) 5.153 4.104 ( 7.708 0.316 -4.893) 9.135 4.220 ( -4.039 -0.164 3.588) 5.405 4.544 ( -8.030 -0.179 -6.229) 10.164 4.694 ( 0.912 0.038 0.622) 1.105 4.729 ( -1.307 -0.161 -0.160) 1.327 4.797 ( -2.677 -0.422 -0.139) 2.714 4.843 ( -0.422 -0.387 -2.059) 2.137 5.036 ( -1.922 0.011 2.944) 3.516 5.079 ( 1.739 -0.192 -2.527) 3.073 5.212 ( 2.012 0.310 -1.910) 2.792 5.263 ( -0.011 -0.103 -6.769) 6.770 5.536 ( 4.565 -0.098 15.484) 16.143 5.616 ( 2.463 0.489 8.892) 9.240 6.124 ( 5.731 0.077 -3.275) 6.601 6.200 ( 1.738 -1.855 -9.544) 9.877 6.776 ( 1.822 -0.418 7.509) 7.738 7.092 ( -1.682 -1.096 -2.198) 2.977 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.859 -0.338 1.399) 1.676 1.147 ( 0.399 0.508 -1.516) 1.647 1.304 ( -14.774 -6.312 3.565) 16.457 1.609 ( -7.401 -3.328 -3.187) 8.719 1.663 ( 2.604 -6.679 -0.295) 7.175 1.698 ( -2.385 -3.492 -1.147) 4.382 1.836 ( -12.309 1.200 8.069) 14.767 1.999 ( -5.517 2.857 -1.486) 6.388 2.021 ( -5.607 5.496 1.831) 8.063 2.079 ( -0.794 0.915 -0.631) 1.366 2.154 ( -1.522 1.433 3.707) 4.256 2.313 ( 1.470 0.761 1.840) 2.475 2.660 ( -15.670 3.330 5.069) 16.803 2.874 ( -8.391 1.273 -3.483) 9.174 2.910 ( 5.115 -0.074 1.224) 5.260 3.200 ( -16.058 -0.350 1.319) 16.116 3.345 ( -6.263 0.164 0.981) 6.342 3.645 ( 0.369 0.078 -8.272) 8.281 3.910 ( 2.492 0.106 2.929) 3.847 4.132 ( -1.601 -0.035 1.597) 2.262 4.262 ( 4.206 0.740 -5.209) 6.735 4.407 ( -5.443 -0.100 -4.767) 7.236 4.721 ( 0.174 -0.365 0.395) 0.565 4.738 ( 3.161 0.068 -0.409) 3.188 4.773 ( 0.328 -0.236 0.038) 0.406 4.838 ( -0.010 -0.245 -3.278) 3.287 5.000 ( -1.774 -0.075 4.288) 4.641 5.091 ( -0.595 -0.151 -2.165) 2.250 5.232 ( 0.405 0.162 -3.165) 3.195 5.264 ( 0.320 -0.123 -7.340) 7.348 5.646 ( 6.329 -0.378 13.849) 15.231 5.674 ( 4.411 0.295 11.578) 12.393 6.194 ( 0.446 -3.661 -6.003) 7.045 6.300 ( 8.347 0.076 -6.492) 10.575 6.826 ( 3.421 -0.432 5.973) 6.897 7.060 ( -2.436 -1.641 -0.808) 3.046 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -4.637 0.502 1.398) 4.869 1.022 ( -16.143 -2.871 2.912) 16.653 1.154 ( -0.489 -1.655 -0.565) 1.816 1.413 ( -12.818 0.171 -1.507) 12.908 1.616 ( -9.130 -0.782 4.784) 10.337 1.675 ( -3.732 -0.762 0.887) 3.911 1.728 ( -1.673 -2.990 -0.732) 3.504 1.858 ( -8.573 -0.059 5.712) 10.302 1.928 ( -1.340 -0.306 -2.911) 3.219 2.043 ( -2.547 0.007 0.962) 2.723 2.132 ( -0.971 1.003 0.489) 1.479 2.305 ( -4.835 0.668 3.267) 5.873 2.352 ( -9.646 3.870 3.854) 11.084 2.682 ( -11.418 1.573 -4.532) 12.384 2.875 ( -17.082 -0.219 3.669) 17.473 2.976 ( 0.555 -0.140 -1.073) 1.216 3.178 ( -9.864 -0.143 2.682) 10.223 3.657 ( 1.263 0.865 -8.265) 8.406 3.912 ( -2.114 0.350 2.849) 3.565 4.118 ( -0.358 0.314 -0.157) 0.502 4.264 ( -2.714 1.371 -4.705) 5.602 4.358 ( 0.066 0.180 -4.384) 4.388 4.725 ( -0.216 -0.424 0.624) 0.785 4.773 ( 0.994 -0.165 -0.639) 1.193 4.817 ( -2.489 -0.126 -2.216) 3.335 4.821 ( 1.923 0.165 -1.820) 2.653 4.980 ( -0.456 -0.026 3.610) 3.639 5.058 ( -2.643 0.085 0.063) 2.645 5.244 ( 1.343 -0.149 -5.312) 5.481 5.291 ( 2.721 -0.249 -7.249) 7.747 5.751 ( 5.722 -0.741 12.046) 13.357 5.800 ( 7.856 0.008 12.912) 15.114 6.203 ( -2.366 -8.148 -3.208) 9.071 6.470 ( 9.526 1.429 -8.470) 12.827 6.908 ( 5.083 -0.242 4.530) 6.813 7.024 ( -1.897 -1.525 1.535) 2.878 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -15.820 0.631 4.516) 16.464 0.831 ( -10.325 2.908 4.397) 11.593 1.143 ( -9.458 0.473 -2.278) 9.740 1.198 ( -1.294 -0.310 -0.239) 1.352 1.468 ( -13.189 2.192 0.750) 13.391 1.494 ( -12.505 2.662 13.780) 18.798 1.578 ( -5.102 2.690 0.334) 5.777 1.791 ( -4.704 -8.549 1.734) 9.911 1.934 ( -0.783 -3.725 -4.326) 5.762 1.990 ( -3.020 -0.196 0.565) 3.078 2.090 ( -2.443 -0.120 -0.162) 2.451 2.172 ( -1.236 3.087 1.730) 3.748 2.307 ( -1.943 -0.640 2.640) 3.340 2.458 ( -9.371 0.536 -4.414) 10.373 2.613 ( -10.382 0.905 2.691) 10.763 2.835 ( -13.395 -0.121 -3.787) 13.920 3.111 ( 1.478 -0.078 6.138) 6.314 3.688 ( 2.783 1.434 -8.030) 8.619 3.842 ( -4.577 0.332 2.210) 5.093 4.072 ( -5.249 0.671 -6.342) 8.260 4.216 ( 0.013 1.041 0.701) 1.255 4.388 ( 2.757 0.548 -5.227) 5.935 4.696 ( -6.898 -0.358 0.223) 6.911 4.714 ( -3.376 -0.164 0.985) 3.520 4.776 ( -1.571 -0.308 -1.072) 1.926 4.832 ( -2.087 -0.071 -5.970) 6.324 4.967 ( -0.865 0.248 0.826) 1.221 5.011 ( -1.781 0.184 0.861) 1.987 5.286 ( 2.728 -0.289 -4.764) 5.497 5.353 ( 3.026 -0.367 -4.716) 5.615 5.877 ( 6.214 -3.090 11.472) 13.408 5.934 ( 5.431 0.468 10.215) 11.578 6.201 ( -2.448 -13.509 2.434) 13.943 6.619 ( 6.591 1.954 -11.904) 13.746 7.012 ( 3.854 -0.481 5.828) 7.003 7.022 ( 3.495 0.577 2.589) 4.388 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -10.271 7.271 7.366) 14.582 0.598 ( -10.979 5.908 11.478) 16.947 0.879 ( -15.683 6.333 3.835) 17.342 1.117 ( -12.398 2.001 13.300) 18.293 1.250 ( 2.840 -1.198 -4.788) 5.695 1.379 ( -4.360 -0.978 0.087) 4.469 1.501 ( -2.037 1.400 4.738) 5.343 1.718 ( -5.261 -3.702 0.052) 6.433 1.827 ( -9.830 -1.509 -4.458) 10.898 1.979 ( 1.018 -0.974 3.983) 4.225 2.115 ( 3.829 -3.590 0.410) 5.265 2.184 ( 2.249 0.666 0.414) 2.382 2.264 ( -1.629 0.140 0.088) 1.637 2.364 ( -2.965 0.568 -3.944) 4.967 2.478 ( -3.126 1.395 -0.170) 3.428 2.596 ( -10.601 0.143 -2.761) 10.955 3.160 ( 3.719 -0.146 6.520) 7.508 3.745 ( 3.138 1.102 -5.859) 6.737 3.760 ( -2.889 0.378 0.768) 3.014 3.949 ( -6.364 0.244 -9.475) 11.416 4.251 ( 3.731 0.556 2.179) 4.357 4.435 ( 1.724 0.765 -7.318) 7.557 4.528 ( -9.229 -0.149 1.454) 9.344 4.663 ( -2.931 -0.123 0.356) 2.955 4.695 ( -8.915 -1.364 -4.426) 10.046 4.740 ( -6.738 -0.284 -5.979) 9.012 4.953 ( -0.331 0.254 0.483) 0.639 4.988 ( -0.732 0.486 -0.271) 0.920 5.334 ( 1.906 -0.499 -2.015) 2.818 5.396 ( 1.352 -0.307 -2.556) 2.908 5.964 ( -2.914 -7.006 8.488) 11.386 5.998 ( 3.999 -5.805 12.561) 14.404 6.275 ( 2.455 -14.803 9.403) 17.708 6.690 ( 2.275 1.273 -13.242) 13.496 7.055 ( 2.902 3.276 3.990) 5.923 7.144 ( 7.390 -0.082 4.073) 8.438 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( -0.000 16.563 6.954) 17.964 0.431 ( -0.000 6.874 19.050) 20.252 0.644 ( -0.000 3.331 20.717) 20.983 1.014 ( -0.000 0.565 5.021) 5.053 1.270 ( -0.000 1.180 -7.552) 7.644 1.362 ( 0.000 -2.578 -1.458) 2.962 1.480 ( -0.000 0.448 6.588) 6.603 1.671 ( 0.000 -2.083 0.217) 2.094 1.717 ( 0.000 -0.654 -1.297) 1.452 2.004 ( 0.000 -2.022 4.194) 4.656 2.200 ( 0.000 -1.525 -3.001) 3.366 2.223 ( -0.000 1.216 -0.796) 1.453 2.232 ( 0.000 -0.452 3.909) 3.935 2.322 ( -0.000 1.355 -6.964) 7.095 2.453 ( -0.000 1.919 -1.101) 2.212 2.482 ( -0.000 0.332 -2.691) 2.711 3.237 ( 0.000 -1.111 3.360) 3.539 3.719 ( -0.000 0.058 0.990) 0.992 3.796 ( -0.000 0.075 -0.920) 0.923 3.870 ( -0.000 0.594 -15.204) 15.216 4.324 ( -0.000 0.315 3.988) 4.000 4.377 ( -0.000 0.086 0.367) 0.377 4.398 ( -0.000 0.060 -0.161) 0.172 4.543 ( 0.000 -0.385 -2.791) 2.817 4.633 ( -0.000 0.066 0.536) 0.540 4.678 ( -0.000 0.042 -0.571) 0.572 4.950 ( -0.000 0.188 0.676) 0.701 4.979 ( -0.000 0.460 -0.116) 0.475 5.355 ( 0.000 -0.473 -0.398) 0.618 5.409 ( 0.000 -0.209 -1.988) 1.999 5.958 ( 0.000 -5.383 9.470) 10.893 6.079 ( 0.000 -9.926 11.521) 15.208 6.396 ( 0.000 -21.104 9.965) 23.339 6.705 ( -0.000 1.675 -13.285) 13.390 7.066 ( -0.000 4.301 3.878) 5.791 7.252 ( 0.000 -1.950 -0.280) 1.970 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 1.177 -0.000 0.986) 1.535 1.136 ( -1.369 0.000 -1.500) 2.031 1.449 ( 17.177 -0.000 2.668) 17.383 1.660 ( 10.298 -0.000 -1.765) 10.448 1.752 ( 5.389 -0.000 2.179) 5.813 1.793 ( 7.638 -0.000 0.228) 7.641 1.847 ( -6.623 0.000 -0.224) 6.627 1.874 ( 6.882 -0.000 5.481) 8.798 1.967 ( 5.219 -0.000 -3.449) 6.255 2.059 ( -0.682 0.000 -3.368) 3.437 2.116 ( 1.606 -0.000 6.163) 6.368 2.287 ( -3.210 0.000 3.859) 5.019 2.599 ( 18.088 -0.000 6.142) 19.102 2.852 ( 9.179 -0.000 -3.734) 9.910 2.912 ( -5.248 0.000 1.566) 5.477 3.206 ( 15.882 -0.000 1.272) 15.933 3.342 ( 5.854 -0.000 1.056) 5.949 3.643 ( 0.373 -0.000 -8.117) 8.125 3.908 ( -2.198 0.000 2.870) 3.615 4.133 ( 1.897 -0.000 1.604) 2.484 4.249 ( -3.565 0.000 -4.900) 6.060 4.409 ( 5.608 -0.000 -4.889) 7.440 4.727 ( -0.400 0.000 0.301) 0.501 4.736 ( -3.287 0.000 -0.427) 3.315 4.778 ( 0.167 -0.000 0.029) 0.170 4.842 ( 0.129 -0.000 -3.329) 3.332 5.001 ( 1.671 -0.000 4.331) 4.642 5.092 ( 0.750 -0.000 -1.818) 1.966 5.230 ( -0.700 0.000 -2.985) 3.066 5.265 ( -0.305 0.000 -7.439) 7.445 5.655 ( -7.252 0.000 14.044) 15.806 5.666 ( -4.038 0.000 11.313) 12.012 6.268 ( -8.512 0.000 -4.696) 9.722 6.287 ( -2.629 0.000 -10.333) 10.662 6.838 ( -3.358 0.000 7.682) 8.384 7.088 ( 2.094 -0.000 -0.667) 2.197 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.424 0.014 0.783) 0.890 1.109 ( -1.543 -0.139 -1.049) 1.871 1.693 ( -2.603 1.223 0.284) 2.890 1.709 ( -6.523 2.220 0.672) 6.923 1.728 ( 12.537 2.985 2.055) 13.050 1.906 ( 6.933 2.874 -0.172) 7.507 1.926 ( 5.158 -3.171 0.593) 6.084 1.969 ( 4.048 -3.317 1.698) 5.502 2.055 ( 0.663 -0.365 -0.095) 0.763 2.133 ( 5.737 -0.458 -1.938) 6.073 2.168 ( 8.677 -0.387 6.269) 10.712 2.215 ( -3.895 -0.555 3.289) 5.128 2.769 ( -6.924 -0.089 -0.236) 6.929 2.903 ( 10.568 -0.250 6.396) 12.356 2.996 ( 5.917 -0.094 -3.805) 7.035 3.399 ( 0.943 -0.111 2.188) 2.385 3.438 ( 8.503 0.030 -0.308) 8.509 3.653 ( 0.558 0.111 -8.781) 8.799 3.838 ( -4.454 0.027 2.443) 5.081 4.097 ( -8.099 -0.089 -4.422) 9.228 4.224 ( 4.506 0.045 3.854) 5.930 4.548 ( 8.028 0.045 -6.166) 10.123 4.693 ( -0.852 -0.010 0.624) 1.056 4.733 ( 1.124 0.045 -0.187) 1.140 4.807 ( 2.715 0.128 -0.201) 2.726 4.850 ( 0.428 0.063 -2.163) 2.206 5.036 ( 1.845 -0.001 2.999) 3.521 5.082 ( -1.800 0.029 -2.262) 2.891 5.205 ( -2.088 -0.071 -1.944) 2.854 5.265 ( 0.019 0.025 -6.663) 6.663 5.539 ( -4.816 0.024 15.676) 16.399 5.606 ( -2.481 -0.110 8.859) 9.200 6.126 ( -6.338 0.044 -2.604) 6.852 6.235 ( -2.659 0.345 -11.712) 12.015 6.787 ( -2.101 0.149 8.775) 9.024 7.116 ( 0.931 0.251 -2.059) 2.273 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 0.811 -0.107 0.524) 0.971 1.080 ( -1.514 -0.046 -0.617) 1.636 1.570 ( -5.600 3.166 2.015) 6.741 1.645 ( -2.642 -0.435 -0.274) 2.691 1.835 ( -1.109 1.446 1.703) 2.494 1.953 ( -2.598 -2.417 -0.665) 3.610 2.005 ( 6.340 1.293 0.457) 6.487 2.041 ( 2.019 0.278 3.812) 4.323 2.079 ( 0.596 -0.791 4.122) 4.240 2.203 ( 3.202 -0.311 0.759) 3.306 2.219 ( 4.145 -1.441 -0.377) 4.405 2.390 ( 12.120 0.074 0.858) 12.151 2.599 ( -10.426 -0.108 1.371) 10.516 3.040 ( 3.298 -0.181 3.941) 5.142 3.069 ( 1.787 0.040 -3.751) 4.155 3.410 ( 0.726 -0.035 3.247) 3.328 3.533 ( 2.166 0.005 -0.459) 2.214 3.657 ( -0.245 0.097 -10.378) 10.382 3.770 ( -2.224 0.026 1.930) 2.944 3.969 ( -3.785 -0.134 -3.121) 4.907 4.307 ( 2.847 0.074 4.304) 5.161 4.636 ( 0.936 0.024 -3.318) 3.447 4.731 ( 3.908 0.004 -3.760) 5.423 4.759 ( 1.161 0.022 -1.031) 1.553 4.846 ( -0.626 0.131 -0.538) 0.836 4.857 ( 1.606 0.101 -0.563) 1.705 5.036 ( -2.306 0.015 -0.997) 2.512 5.065 ( 1.026 -0.015 2.192) 2.420 5.164 ( -1.592 -0.092 -1.042) 1.905 5.263 ( -0.245 0.028 -5.811) 5.816 5.480 ( -1.436 -0.001 16.208) 16.271 5.577 ( -0.523 -0.121 5.908) 5.932 6.040 ( -2.522 0.016 -1.002) 2.714 6.191 ( -1.722 0.248 -11.943) 12.069 6.758 ( -0.955 0.094 8.973) 9.024 7.121 ( -0.207 0.174 -2.752) 2.766 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.569 0.510 0.472) 0.898 1.076 ( 2.271 -0.314 -0.245) 2.305 1.480 ( -3.011 0.231 3.201) 4.401 1.608 ( -2.050 -2.231 -0.435) 3.061 1.731 ( -8.240 -1.781 1.074) 8.498 1.885 ( -5.406 -1.978 -2.260) 6.185 2.059 ( 0.619 0.827 4.648) 4.761 2.072 ( 0.731 0.248 3.780) 3.858 2.147 ( 6.451 2.102 1.477) 6.943 2.249 ( 0.729 1.310 0.601) 1.615 2.273 ( 0.699 0.481 -0.195) 0.870 2.385 ( -11.951 -0.097 0.502) 11.962 2.606 ( 10.524 0.149 1.204) 10.593 3.043 ( -2.755 -0.156 3.592) 4.529 3.069 ( -1.617 0.037 -3.323) 3.696 3.424 ( 0.545 0.511 3.043) 3.133 3.532 ( -2.320 -0.053 -0.550) 2.385 3.644 ( -0.903 -0.412 -10.104) 10.153 3.767 ( 1.956 -0.073 1.847) 2.691 3.980 ( 4.564 0.219 -3.772) 5.925 4.302 ( -3.295 -0.095 4.155) 5.304 4.634 ( -1.201 -0.047 -3.506) 3.707 4.731 ( -3.923 -0.014 -3.784) 5.451 4.758 ( -1.306 0.014 -1.143) 1.735 4.839 ( -0.100 -0.113 -0.347) 0.378 4.848 ( -2.235 -0.238 -0.321) 2.271 5.034 ( 2.064 -0.045 -1.087) 2.333 5.066 ( -0.961 0.021 2.197) 2.398 5.171 ( 2.168 0.154 -1.110) 2.441 5.260 ( 0.046 -0.061 -5.890) 5.891 5.481 ( 1.412 0.002 15.985) 16.047 5.586 ( 1.339 0.186 6.001) 6.152 6.040 ( 2.613 0.038 -1.319) 2.927 6.172 ( -0.352 -0.415 -10.997) 11.010 6.752 ( 0.331 -0.110 8.339) 8.347 7.109 ( -1.111 -0.254 -2.829) 3.050 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.681 0.075 1.350) 1.514 1.128 ( 2.589 0.520 -0.930) 2.800 1.423 ( -6.809 -5.552 4.318) 9.790 1.574 ( -3.099 -3.502 0.272) 4.684 1.621 ( -2.066 -1.590 -0.726) 2.706 1.775 ( -7.266 -2.283 -4.639) 8.918 2.033 ( -4.445 0.725 10.309) 11.250 2.083 ( 0.812 0.666 0.831) 1.339 2.157 ( -10.453 0.457 -0.685) 10.486 2.180 ( -2.575 4.178 0.260) 4.915 2.241 ( -3.317 2.041 1.373) 4.130 2.275 ( 3.625 0.982 1.288) 3.970 2.779 ( 7.649 0.205 -0.129) 7.653 2.936 ( -8.606 0.866 4.948) 9.964 3.010 ( -4.678 0.371 -3.212) 5.686 3.417 ( -1.386 0.575 2.001) 2.501 3.433 ( -8.725 -0.129 -0.222) 8.729 3.637 ( -0.035 -0.474 -8.867) 8.879 3.834 ( 4.631 -0.106 2.322) 5.181 4.107 ( 7.525 0.244 -5.071) 9.077 4.218 ( -3.825 -0.128 3.466) 5.164 4.542 ( -8.028 -0.145 -6.259) 10.180 4.694 ( 0.936 0.030 0.617) 1.121 4.728 ( -1.405 -0.126 -0.152) 1.419 4.793 ( -2.649 -0.309 -0.106) 2.670 4.839 ( -0.405 -0.366 -2.027) 2.099 5.036 ( -1.951 0.011 2.925) 3.516 5.077 ( 1.689 -0.186 -2.627) 3.129 5.215 ( 1.982 0.261 -1.899) 2.757 5.262 ( -0.004 -0.085 -6.811) 6.811 5.536 ( 4.464 -0.081 15.415) 16.048 5.621 ( 2.450 0.418 8.882) 9.223 6.126 ( 5.585 0.345 -3.576) 6.641 6.181 ( 1.191 -1.872 -8.586) 8.868 6.772 ( 1.800 -0.277 6.956) 7.190 7.082 ( -2.019 -0.931 -2.251) 3.163 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -0.901 -0.294 1.541) 1.809 1.152 ( -0.110 0.370 -1.508) 1.556 1.249 ( -12.961 -4.926 4.163) 14.477 1.566 ( -4.129 -5.462 -1.763) 7.070 1.614 ( -0.452 -3.183 -1.554) 3.571 1.665 ( -3.382 -3.185 -2.695) 5.371 1.844 ( -12.711 0.565 9.747) 16.028 2.024 ( -4.850 2.307 -0.086) 5.372 2.074 ( -4.557 4.931 0.536) 6.736 2.087 ( -2.185 1.088 -0.243) 2.453 2.167 ( -2.377 1.309 3.110) 4.127 2.316 ( 0.567 -0.096 1.327) 1.446 2.691 ( -14.609 3.070 4.583) 15.615 2.887 ( -7.950 1.235 -3.346) 8.713 2.910 ( 5.002 -0.061 1.044) 5.110 3.196 ( -16.160 -0.338 1.336) 16.218 3.347 ( -6.498 0.132 0.936) 6.566 3.646 ( 0.768 0.082 -8.354) 8.390 3.911 ( 2.645 0.091 2.955) 3.967 4.132 ( -1.440 -0.028 1.599) 2.152 4.269 ( 4.611 0.719 -5.403) 7.139 4.406 ( -5.360 -0.090 -4.701) 7.131 4.717 ( 0.078 -0.335 0.435) 0.554 4.738 ( 3.077 0.052 -0.413) 3.105 4.771 ( 0.566 -0.188 0.048) 0.598 4.836 ( 0.087 -0.248 -3.260) 3.271 4.999 ( -1.818 -0.061 4.287) 4.657 5.089 ( -0.540 -0.212 -2.368) 2.438 5.234 ( 0.305 0.197 -3.156) 3.177 5.262 ( 0.254 -0.158 -7.378) 7.385 5.642 ( 6.295 -0.300 14.082) 15.428 5.676 ( 4.100 0.204 11.374) 12.092 6.159 ( -1.666 -3.446 -5.117) 6.390 6.300 ( 9.163 -0.055 -5.975) 10.939 6.823 ( 3.594 -0.176 5.017) 6.174 7.043 ( -2.674 -1.632 -0.858) 3.248 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -7.928 -1.695 1.064) 8.177 1.016 ( -9.451 1.453 3.376) 10.140 1.137 ( -1.603 -1.807 -0.389) 2.446 1.412 ( -11.282 -0.445 -1.591) 11.403 1.603 ( -8.067 -2.360 3.905) 9.267 1.656 ( -1.713 -3.126 0.909) 3.679 1.677 ( -1.187 -5.586 1.847) 6.002 1.889 ( -11.169 4.982 3.723) 12.784 1.937 ( -3.856 2.089 -2.494) 5.046 2.042 ( -2.785 -0.095 1.559) 3.193 2.137 ( -1.571 0.043 0.350) 1.610 2.303 ( -2.172 -0.649 2.419) 3.315 2.393 ( -12.639 4.169 3.850) 13.855 2.697 ( -11.667 1.584 -4.460) 12.590 2.873 ( -16.655 -0.186 3.594) 17.040 2.975 ( 0.528 -0.185 -1.092) 1.227 3.177 ( -9.917 -0.127 2.737) 10.289 3.665 ( 1.685 0.885 -8.316) 8.532 3.915 ( -2.031 0.354 2.928) 3.581 4.121 ( -0.144 0.338 -0.051) 0.371 4.279 ( -2.439 1.579 -4.923) 5.716 4.360 ( 0.265 0.174 -4.199) 4.211 4.721 ( -0.161 -0.386 0.672) 0.792 4.771 ( 0.943 -0.182 -0.639) 1.153 4.816 ( -3.329 -0.155 -2.219) 4.004 4.823 ( 2.733 0.172 -1.761) 3.256 4.980 ( -0.292 0.021 3.629) 3.641 5.059 ( -2.536 0.003 -0.027) 2.536 5.242 ( 1.191 -0.103 -5.466) 5.595 5.288 ( 2.554 -0.403 -7.208) 7.658 5.745 ( 5.174 -0.463 12.278) 13.331 5.798 ( 7.883 -0.486 13.088) 15.286 6.122 ( -5.125 -8.032 -0.984) 9.579 6.482 ( 9.906 1.002 -8.593) 13.152 6.908 ( 5.263 0.152 3.487) 6.315 7.008 ( -1.597 -1.791 1.527) 2.844 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -11.696 4.124 4.113) 13.066 0.862 ( -9.097 3.395 3.650) 10.373 1.130 ( -3.077 -2.575 -1.804) 4.400 1.204 ( -6.900 1.230 2.929) 7.597 1.469 ( -6.863 -0.614 0.672) 6.924 1.547 ( -17.508 5.968 14.004) 23.200 1.605 ( -6.060 2.757 -0.516) 6.678 1.703 ( -2.149 -9.005 0.762) 9.289 1.897 ( -2.013 -3.530 -6.322) 7.515 1.989 ( -2.783 -0.019 1.112) 2.997 2.082 ( -4.349 -1.438 -0.120) 4.582 2.202 ( -2.810 2.887 1.830) 4.425 2.300 ( -1.833 -0.936 3.120) 3.738 2.463 ( -9.968 0.450 -4.269) 10.853 2.623 ( -9.844 1.080 2.092) 10.122 2.834 ( -13.321 -0.139 -3.784) 13.849 3.110 ( 1.547 -0.064 6.530) 6.711 3.703 ( 3.056 1.612 -7.997) 8.712 3.845 ( -4.634 0.383 2.252) 5.166 4.079 ( -5.169 0.809 -6.257) 8.156 4.227 ( -0.262 1.347 0.659) 1.522 4.394 ( 3.016 0.651 -4.908) 5.797 4.692 ( -6.914 -0.407 0.151) 6.928 4.713 ( -3.283 -0.150 1.006) 3.437 4.771 ( -1.849 -0.545 -1.342) 2.349 4.831 ( -2.461 -0.035 -5.743) 6.248 4.970 ( -0.749 0.328 0.866) 1.191 5.013 ( -1.669 0.219 0.899) 1.908 5.282 ( 2.518 -0.505 -4.692) 5.349 5.348 ( 2.964 -0.572 -4.739) 5.619 5.840 ( 2.314 -4.570 12.852) 13.835 5.937 ( 4.999 0.277 10.380) 11.525 6.072 ( -2.930 -12.232 5.797) 13.850 6.633 ( 6.020 1.081 -12.319) 13.754 7.007 ( 4.611 -0.520 5.734) 7.376 7.029 ( 4.413 0.800 1.587) 4.758 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -4.545 11.833 6.794) 14.382 0.659 ( -8.822 6.246 10.898) 15.350 0.946 ( -12.836 6.612 -0.338) 14.443 1.145 ( -13.649 3.568 15.372) 20.864 1.233 ( 2.909 -1.830 -0.809) 3.530 1.375 ( -4.970 0.166 0.198) 4.977 1.519 ( -2.439 2.118 3.388) 4.681 1.672 ( -4.406 -5.602 -0.010) 7.127 1.808 ( -9.000 -2.315 -5.625) 10.863 1.963 ( -0.091 -2.651 1.481) 3.038 2.075 ( 3.071 -4.100 1.294) 5.284 2.192 ( 1.651 0.890 0.532) 1.950 2.263 ( -1.311 -0.384 0.163) 1.375 2.368 ( -2.388 0.340 -4.382) 5.002 2.492 ( -2.984 1.414 -0.480) 3.337 2.598 ( -10.359 0.182 -2.828) 10.740 3.159 ( 3.400 -0.180 7.080) 7.856 3.754 ( -0.444 0.773 -2.235) 2.407 3.767 ( 0.353 1.066 -2.683) 2.909 3.952 ( -6.608 0.313 -9.560) 11.626 4.258 ( 3.552 0.811 2.355) 4.338 4.445 ( 1.763 1.069 -6.972) 7.271 4.526 ( -8.987 -0.211 1.322) 9.086 4.660 ( -4.643 -0.765 -0.832) 4.779 4.679 ( -8.926 -1.792 -3.876) 9.895 4.739 ( -5.826 0.012 -4.306) 7.244 4.957 ( -0.317 0.383 0.474) 0.687 4.993 ( -0.520 0.636 -0.301) 0.875 5.326 ( 1.508 -1.159 -0.820) 2.071 5.391 ( 1.314 -0.565 -2.532) 2.908 5.815 ( -9.050 -17.879 19.840) 28.199 5.988 ( 2.664 0.300 10.235) 10.580 6.170 ( 4.741 -7.451 9.157) 12.721 6.694 ( 1.279 -0.368 -12.628) 12.698 7.086 ( 3.878 3.081 2.227) 5.431 7.144 ( 7.252 0.124 3.180) 7.920 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -0.000 16.761 5.417) 17.615 0.520 ( -0.000 10.845 15.666) 19.053 0.696 ( -0.000 7.556 15.680) 17.405 1.024 ( -0.000 1.549 8.506) 8.646 1.287 ( -0.000 2.191 -6.785) 7.130 1.326 ( 0.000 -4.663 0.398) 4.680 1.489 ( -0.000 1.440 5.417) 5.605 1.641 ( 0.000 -3.978 0.268) 3.987 1.708 ( 0.000 -1.267 -2.106) 2.458 1.981 ( 0.000 -2.976 2.377) 3.809 2.157 ( 0.000 -5.324 0.935) 5.406 2.226 ( 0.000 -0.780 4.201) 4.273 2.249 ( -0.000 1.978 -7.932) 8.175 2.335 ( -0.000 1.155 -7.160) 7.252 2.475 ( -0.000 2.094 -1.858) 2.799 2.486 ( -0.000 0.560 -2.777) 2.833 3.224 ( 0.000 -1.598 5.300) 5.536 3.720 ( -0.000 0.103 0.985) 0.990 3.797 ( -0.000 0.133 -0.932) 0.941 3.877 ( -0.000 0.866 -14.772) 14.797 4.328 ( -0.000 0.452 3.997) 4.023 4.378 ( -0.000 0.151 0.369) 0.399 4.399 ( -0.000 0.106 -0.150) 0.183 4.539 ( 0.000 -0.238 -2.968) 2.977 4.634 ( -0.000 0.117 0.527) 0.539 4.678 ( -0.000 0.075 -0.572) 0.576 4.953 ( -0.000 0.341 0.640) 0.725 4.985 ( -0.000 0.776 -0.229) 0.809 5.347 ( 0.000 -1.361 1.505) 2.029 5.406 ( 0.000 -0.497 -1.902) 1.966 5.806 ( 0.000 -21.977 25.552) 33.704 6.020 ( 0.000 -1.520 11.844) 11.941 6.258 ( 0.000 -8.554 9.924) 13.102 6.707 ( 0.000 -0.832 -12.250) 12.278 7.107 ( -0.000 3.864 1.537) 4.159 7.237 ( 0.000 -1.103 0.392) 1.170 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.890 -0.000 0.507) 1.025 1.080 ( -1.541 0.000 -0.624) 1.663 1.588 ( -6.166 0.000 1.855) 6.439 1.641 ( -3.085 0.000 -0.044) 3.085 1.843 ( -3.102 0.000 1.503) 3.447 1.939 ( -1.823 0.000 -0.329) 1.852 2.013 ( 6.815 -0.000 0.196) 6.818 2.043 ( 2.658 -0.000 4.310) 5.064 2.074 ( 0.787 -0.000 3.713) 3.795 2.202 ( 3.194 -0.000 0.691) 3.268 2.211 ( 4.749 -0.000 -0.362) 4.763 2.390 ( 12.137 -0.000 0.882) 12.169 2.598 ( -10.417 0.000 1.382) 10.508 3.040 ( 3.309 -0.000 3.974) 5.171 3.069 ( 1.811 -0.000 -3.800) 4.209 3.410 ( 0.839 -0.000 3.281) 3.387 3.533 ( 2.152 -0.000 -0.468) 2.202 3.658 ( -0.345 0.000 -10.388) 10.394 3.770 ( -2.246 0.000 1.937) 2.966 3.969 ( -3.718 0.000 -3.083) 4.830 4.307 ( 2.816 -0.000 4.316) 5.154 4.636 ( 0.917 -0.000 -3.306) 3.431 4.731 ( 3.903 -0.000 -3.763) 5.421 4.759 ( 1.150 -0.000 -1.025) 1.541 4.847 ( -0.728 0.000 -0.547) 0.911 4.858 ( 1.619 -0.000 -0.577) 1.718 5.036 ( -2.321 0.000 -0.992) 2.524 5.065 ( 1.031 -0.000 2.190) 2.421 5.163 ( -1.550 0.000 -1.035) 1.864 5.263 ( -0.260 0.000 -5.808) 5.814 5.480 ( -1.437 0.000 16.225) 16.288 5.576 ( -0.468 0.000 5.900) 5.919 6.040 ( -2.524 0.000 -0.979) 2.708 6.192 ( -1.849 0.000 -12.008) 12.149 6.758 ( -1.007 0.000 9.016) 9.072 7.122 ( -0.297 0.000 -2.747) 2.763 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -1.047 0.252 0.373) 1.140 1.073 ( 2.920 -0.184 -0.109) 2.927 1.485 ( -4.749 0.472 3.387) 5.852 1.589 ( -2.715 -1.242 -0.024) 2.986 1.720 ( -7.968 -0.515 0.573) 8.006 1.871 ( -5.306 -0.723 -2.608) 5.956 2.066 ( 0.468 0.612 5.450) 5.504 2.071 ( 0.669 -0.283 3.727) 3.797 2.162 ( 6.543 0.775 1.082) 6.677 2.258 ( 1.385 0.553 0.457) 1.560 2.276 ( 1.429 0.084 -0.085) 1.434 2.384 ( -11.938 -0.035 0.443) 11.947 2.607 ( 10.532 0.054 1.180) 10.598 3.042 ( -2.626 -0.072 3.604) 4.460 3.069 ( -1.614 0.013 -3.351) 3.719 3.427 ( 0.679 0.211 3.077) 3.158 3.531 ( -2.335 -0.022 -0.607) 2.412 3.641 ( -1.030 -0.166 -10.056) 10.110 3.766 ( 1.928 -0.028 1.837) 2.663 3.981 ( 4.645 0.080 -3.874) 6.049 4.301 ( -3.356 -0.034 4.138) 5.328 4.634 ( -1.236 -0.018 -3.536) 3.745 4.731 ( -3.917 -0.006 -3.796) 5.455 4.758 ( -1.321 0.008 -1.164) 1.760 4.838 ( -0.054 -0.035 -0.321) 0.328 4.846 ( -2.480 -0.093 -0.271) 2.496 5.034 ( 2.027 -0.017 -1.102) 2.308 5.066 ( -0.951 0.008 2.196) 2.393 5.172 ( 2.243 0.057 -1.115) 2.505 5.260 ( 0.022 -0.023 -5.907) 5.907 5.481 ( 1.409 0.001 15.956) 16.018 5.587 ( 1.457 0.068 6.012) 6.186 6.041 ( 2.655 0.018 -1.359) 2.982 6.169 ( -0.684 -0.154 -10.867) 10.890 6.751 ( 0.265 -0.039 8.250) 8.255 7.107 ( -1.295 -0.092 -2.839) 3.122 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.822 0.056 1.492) 1.705 1.132 ( 2.743 0.314 -0.860) 2.892 1.381 ( -8.026 -2.967 4.653) 9.740 1.547 ( -2.701 -1.935 0.322) 3.338 1.609 ( -2.909 -0.823 -0.855) 3.142 1.757 ( -7.082 -1.230 -5.245) 8.898 2.038 ( -4.523 0.315 11.058) 11.951 2.087 ( 0.952 0.334 0.991) 1.414 2.159 ( -10.341 0.169 -0.450) 10.352 2.214 ( -2.277 2.488 -0.015) 3.373 2.258 ( -2.523 1.473 1.027) 3.097 2.279 ( 2.666 -0.065 1.091) 2.881 2.780 ( 7.690 0.107 -0.146) 7.692 2.943 ( -7.999 0.489 4.697) 9.289 3.012 ( -4.408 0.216 -3.107) 5.398 3.421 ( -1.553 0.353 1.961) 2.526 3.432 ( -8.791 -0.077 -0.212) 8.794 3.633 ( 0.133 -0.284 -8.882) 8.887 3.834 ( 4.667 -0.061 2.296) 5.201 4.109 ( 7.388 0.131 -5.190) 9.030 4.217 ( -3.665 -0.070 3.375) 4.983 4.541 ( -8.025 -0.081 -6.281) 10.191 4.694 ( 0.953 0.016 0.611) 1.132 4.727 ( -1.484 -0.069 -0.148) 1.493 4.791 ( -2.623 -0.156 -0.080) 2.629 4.836 ( -0.388 -0.228 -2.008) 2.058 5.036 ( -1.971 0.007 2.914) 3.517 5.075 ( 1.643 -0.116 -2.696) 3.159 5.217 ( 1.960 0.149 -1.893) 2.729 5.261 ( 0.003 -0.048 -6.839) 6.840 5.535 ( 4.393 -0.046 15.367) 15.983 5.624 ( 2.440 0.242 8.867) 9.200 6.131 ( 5.987 0.587 -3.690) 7.057 6.164 ( 0.275 -1.470 -7.995) 8.134 6.770 ( 1.818 -0.128 6.555) 6.804 7.075 ( -2.270 -0.535 -2.286) 3.266 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -1.134 -0.250 1.593) 1.972 1.154 ( -0.559 0.205 -1.498) 1.611 1.210 ( -10.849 -2.955 4.737) 12.201 1.515 ( -3.352 -4.475 -0.802) 5.649 1.594 ( -1.017 -1.404 -1.830) 2.520 1.638 ( -4.893 -2.200 -4.231) 6.832 1.848 ( -12.909 0.231 10.539) 16.667 2.043 ( -3.922 1.575 1.756) 4.576 2.089 ( -1.435 0.319 -1.386) 2.020 2.122 ( -5.178 3.733 0.496) 6.402 2.180 ( -3.635 1.370 2.350) 4.540 2.312 ( -0.091 -0.815 1.184) 1.440 2.717 ( -13.838 2.142 4.212) 14.623 2.898 ( -7.508 0.902 -3.213) 8.217 2.909 ( 4.818 -0.042 0.886) 4.899 3.194 ( -16.248 -0.245 1.346) 16.306 3.348 ( -6.699 0.080 0.898) 6.760 3.646 ( 1.098 0.064 -8.421) 8.492 3.911 ( 2.769 0.059 2.973) 4.063 4.131 ( -1.308 -0.017 1.603) 2.069 4.275 ( 4.984 0.525 -5.581) 7.501 4.405 ( -5.294 -0.062 -4.647) 7.045 4.714 ( 0.023 -0.228 0.457) 0.511 4.739 ( 2.995 0.031 -0.420) 3.025 4.769 ( 0.739 -0.116 0.061) 0.751 4.833 ( 0.187 -0.186 -3.253) 3.263 4.998 ( -1.849 -0.037 4.299) 4.680 5.087 ( -0.516 -0.198 -2.539) 2.598 5.236 ( 0.274 0.177 -3.049) 3.066 5.261 ( 0.141 -0.148 -7.505) 7.508 5.640 ( 6.343 -0.189 14.347) 15.688 5.678 ( 3.728 0.107 11.125) 11.733 6.130 ( -3.258 -2.467 -4.263) 5.905 6.299 ( 9.689 -0.077 -5.661) 11.222 6.823 ( 3.816 0.017 4.220) 5.690 7.029 ( -2.920 -1.223 -0.879) 3.286 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -7.217 -0.853 0.697) 7.301 1.038 ( -6.026 2.792 3.452) 7.485 1.120 ( -2.720 -1.638 -0.089) 3.176 1.403 ( -9.759 -1.447 -1.098) 9.927 1.563 ( -4.127 -5.125 -1.067) 6.666 1.623 ( -1.986 -2.978 2.440) 4.332 1.640 ( -5.989 -2.190 6.419) 9.049 1.936 ( -8.774 4.086 0.110) 9.680 1.967 ( -6.793 3.829 0.141) 7.799 2.042 ( -2.922 0.206 1.496) 3.289 2.133 ( -2.520 -0.968 -0.010) 2.700 2.295 ( -1.686 -1.023 2.341) 3.061 2.429 ( -13.524 3.120 3.609) 14.341 2.711 ( -12.057 1.247 -4.354) 12.880 2.872 ( -16.167 -0.100 3.491) 16.540 2.973 ( 0.491 -0.191 -1.137) 1.253 3.176 ( -9.925 -0.087 2.804) 10.314 3.673 ( 2.052 0.709 -8.371) 8.647 3.918 ( -1.956 0.280 2.992) 3.586 4.124 ( 0.056 0.284 0.049) 0.293 4.294 ( -2.143 1.430 -5.192) 5.796 4.362 ( 0.448 0.125 -4.024) 4.051 4.718 ( -0.100 -0.262 0.699) 0.753 4.770 ( 0.883 -0.154 -0.629) 1.095 4.815 ( -3.562 -0.125 -2.187) 4.182 4.824 ( 2.934 0.110 -1.759) 3.422 4.980 ( -0.109 0.063 3.692) 3.694 5.058 ( -2.421 -0.091 -0.149) 2.427 5.242 ( 0.973 -0.013 -5.429) 5.515 5.283 ( 2.379 -0.478 -7.340) 7.730 5.743 ( 4.774 0.085 12.608) 13.482 5.790 ( 7.526 -1.155 13.192) 15.232 6.052 ( -7.165 -6.204 0.808) 9.512 6.490 ( 10.193 0.640 -8.571) 13.333 6.911 ( 5.500 0.531 2.504) 6.066 6.990 ( -1.376 -1.747 1.640) 2.764 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -6.787 6.697 2.520) 9.862 0.896 ( -8.341 3.549 2.736) 9.468 1.103 ( -1.279 -2.508 0.058) 2.816 1.215 ( -8.202 0.778 5.829) 10.093 1.460 ( -6.396 -1.500 0.735) 6.611 1.566 ( -10.549 -4.090 11.752) 16.314 1.612 ( -3.395 -2.469 0.227) 4.204 1.669 ( -8.851 5.501 -0.002) 10.421 1.871 ( -4.107 -1.679 -6.185) 7.612 1.989 ( -3.010 -0.123 0.210) 3.020 2.063 ( -5.624 -2.469 -0.327) 6.151 2.227 ( -3.876 2.188 2.142) 4.939 2.290 ( -2.018 -1.099 3.433) 4.131 2.466 ( -10.460 0.283 -4.017) 11.209 2.633 ( -9.480 1.001 1.508) 9.651 2.832 ( -13.215 -0.125 -3.811) 13.754 3.110 ( 1.598 -0.042 6.952) 7.134 3.718 ( 3.299 1.415 -7.966) 8.737 3.849 ( -4.695 0.343 2.287) 5.233 4.087 ( -5.082 0.764 -6.164) 8.025 4.241 ( -0.612 1.383 0.552) 1.610 4.401 ( 3.297 0.604 -4.589) 5.683 4.688 ( -6.969 -0.360 0.082) 6.979 4.712 ( -3.154 -0.068 1.032) 3.319 4.765 ( -2.409 -0.740 -1.671) 3.024 4.831 ( -2.702 0.016 -5.416) 6.053 4.973 ( -0.647 0.343 0.917) 1.173 5.016 ( -1.529 0.197 0.973) 1.823 5.276 ( 2.097 -0.718 -4.454) 4.975 5.342 ( 2.905 -0.673 -4.825) 5.672 5.787 ( -4.553 -6.010 14.664) 16.489 5.939 ( 5.191 0.105 10.808) 11.991 5.974 ( 0.722 -7.650 7.238) 10.556 6.641 ( 5.280 0.508 -12.337) 13.429 7.002 ( 5.081 -0.405 5.652) 7.611 7.036 ( 5.542 0.794 0.851) 5.663 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -1.121 13.569 5.680) 14.753 0.718 ( -7.053 6.004 9.647) 13.373 0.997 ( -8.616 3.611 -0.863) 9.382 1.165 ( -6.717 -0.664 10.187) 12.220 1.237 ( -5.789 3.795 8.265) 10.781 1.383 ( -4.660 1.484 0.570) 4.924 1.542 ( -2.545 2.481 2.051) 4.104 1.613 ( -3.770 -6.212 -0.184) 7.269 1.783 ( -7.882 -2.639 -7.065) 10.909 1.926 ( -2.243 -4.695 -0.490) 5.226 2.040 ( 2.404 -3.190 1.095) 4.141 2.199 ( 0.773 0.647 1.535) 1.836 2.256 ( -1.192 -1.018 0.671) 1.705 2.370 ( -2.066 0.030 -4.758) 5.188 2.504 ( -3.212 0.990 -0.805) 3.456 2.600 ( -10.112 0.188 -2.907) 10.523 3.157 ( 3.051 -0.178 7.751) 8.331 3.760 ( -3.081 0.374 0.523) 3.147 3.779 ( 2.478 1.308 -5.178) 5.888 3.955 ( -6.878 0.295 -9.654) 11.857 4.267 ( 3.324 0.897 2.575) 4.299 4.455 ( 1.751 1.126 -6.589) 6.910 4.524 ( -8.718 -0.236 1.166) 8.799 4.642 ( -10.591 -2.603 -3.880) 11.576 4.669 ( -3.932 -0.336 -0.248) 3.954 4.740 ( -5.390 0.226 -3.410) 6.382 4.961 ( -0.309 0.430 0.512) 0.736 4.999 ( -0.286 0.629 -0.316) 0.759 5.310 ( 0.588 -2.155 1.875) 2.916 5.385 ( 1.274 -0.706 -2.531) 2.920 5.661 ( -9.914 -12.742 21.943) 27.242 5.993 ( 2.680 0.553 10.099) 10.464 6.112 ( 5.611 -4.919 8.437) 11.263 6.687 ( 0.533 -0.869 -11.757) 11.801 7.114 ( 4.629 2.514 1.495) 5.475 7.146 ( 7.072 0.319 2.515) 7.513 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -0.000 10.978 10.737) 15.355 0.633 ( -0.000 12.134 12.746) 17.599 0.793 ( -0.000 11.979 3.965) 12.618 1.045 ( -0.000 2.706 13.521) 13.789 1.278 ( 0.000 -4.561 2.623) 5.261 1.312 ( -0.000 2.873 -5.558) 6.257 1.507 ( -0.000 2.254 3.975) 4.570 1.595 ( 0.000 -5.483 0.332) 5.494 1.693 ( 0.000 -1.752 -3.410) 3.834 1.941 ( 0.000 -5.230 -0.899) 5.306 2.107 ( 0.000 -4.725 1.823) 5.064 2.218 ( 0.000 -0.911 4.614) 4.703 2.257 ( 0.000 -0.225 -7.938) 7.941 2.343 ( -0.000 0.548 -7.327) 7.347 2.489 ( -0.000 0.809 -2.094) 2.245 2.492 ( -0.000 0.635 -2.894) 2.963 3.208 ( 0.000 -1.478 7.186) 7.336 3.721 ( -0.000 0.124 0.977) 0.985 3.798 ( -0.000 0.159 -0.949) 0.962 3.886 ( -0.000 0.832 -14.224) 14.249 4.332 ( -0.000 0.432 4.083) 4.106 4.380 ( -0.000 0.183 0.371) 0.413 4.400 ( -0.000 0.128 -0.134) 0.185 4.540 ( -0.000 0.306 -3.449) 3.463 4.635 ( -0.000 0.140 0.513) 0.532 4.679 ( -0.000 0.090 -0.573) 0.580 4.956 ( -0.000 0.422 0.654) 0.778 4.993 ( -0.000 0.881 -0.379) 0.959 5.326 ( 0.000 -3.017 6.429) 7.101 5.400 ( 0.000 -0.711 -1.817) 1.951 5.623 ( 0.000 -14.004 25.548) 29.134 6.017 ( -0.000 0.409 10.717) 10.725 6.194 ( 0.000 -5.464 7.970) 9.663 6.695 ( 0.000 -1.397 -11.193) 11.280 7.141 ( -0.000 3.232 0.813) 3.333 7.230 ( 0.000 -0.293 0.559) 0.631 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.866 0.000 1.546) 1.772 1.133 ( 2.799 -0.000 -0.829) 2.919 1.366 ( -8.486 0.000 4.769) 9.734 1.537 ( -2.548 0.000 0.340) 2.570 1.605 ( -3.216 0.000 -0.897) 3.338 1.751 ( -7.003 0.000 -5.461) 8.880 2.040 ( -4.566 0.000 11.293) 12.181 2.089 ( 1.007 -0.000 1.035) 1.444 2.160 ( -10.271 0.000 -0.389) 10.278 2.226 ( -2.339 0.000 -0.090) 2.341 2.268 ( -2.455 0.000 0.680) 2.547 2.276 ( 2.666 -0.000 1.283) 2.959 2.781 ( 7.699 -0.000 -0.155) 7.700 2.945 ( -7.766 0.000 4.610) 9.032 3.014 ( -4.310 0.000 -3.071) 5.293 3.423 ( -1.608 0.000 1.947) 2.525 3.432 ( -8.830 0.000 -0.210) 8.833 3.632 ( 0.201 -0.000 -8.888) 8.890 3.833 ( 4.680 -0.000 2.286) 5.208 4.110 ( 7.338 -0.000 -5.232) 9.012 4.217 ( -3.605 0.000 3.341) 4.915 4.541 ( -8.023 0.000 -6.290) 10.195 4.694 ( 0.959 -0.000 0.608) 1.136 4.727 ( -1.515 0.000 -0.147) 1.522 4.790 ( -2.612 0.000 -0.070) 2.613 4.835 ( -0.380 0.000 -2.003) 2.039 5.036 ( -1.978 0.000 2.910) 3.518 5.075 ( 1.624 -0.000 -2.720) 3.168 5.218 ( 1.952 -0.000 -1.891) 2.718 5.261 ( 0.006 -0.000 -6.850) 6.850 5.535 ( 4.368 -0.000 15.350) 15.960 5.625 ( 2.437 -0.000 8.860) 9.189 6.135 ( 7.145 -0.000 -3.385) 7.906 6.156 ( -1.073 0.000 -8.125) 8.196 6.770 ( 1.831 -0.000 6.410) 6.666 7.072 ( -2.364 0.000 -2.298) 3.297 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -1.390 -0.112 1.589) 2.115 1.156 ( -0.846 0.064 -1.494) 1.718 1.191 ( -9.274 -0.949 5.114) 10.633 1.484 ( -3.919 -1.661 -0.546) 4.291 1.585 ( -0.121 -0.431 -1.352) 1.424 1.623 ( -6.214 -0.787 -5.381) 8.258 1.849 ( -12.998 0.061 10.842) 16.927 2.053 ( -3.208 0.568 3.205) 4.570 2.091 ( -1.947 0.063 -2.103) 2.866 2.146 ( -4.194 1.184 0.515) 4.389 2.192 ( -4.974 0.904 1.393) 5.244 2.304 ( -0.334 -0.591 1.313) 1.478 2.732 ( -13.441 0.766 4.010) 14.047 2.904 ( -7.302 0.348 -3.156) 7.963 2.909 ( 4.750 -0.032 0.821) 4.821 3.192 ( -16.300 -0.090 1.349) 16.356 3.348 ( -6.816 0.026 0.876) 6.872 3.647 ( 1.283 0.024 -8.458) 8.555 3.912 ( 2.838 0.020 2.982) 4.117 4.131 ( -1.233 -0.006 1.606) 2.025 4.279 ( 5.211 0.193 -5.689) 7.718 4.405 ( -5.258 -0.022 -4.616) 6.997 4.713 ( 0.005 -0.080 0.464) 0.471 4.739 ( 2.944 0.010 -0.424) 2.975 4.768 ( 0.824 -0.039 0.069) 0.828 4.832 ( 0.253 -0.069 -3.252) 3.262 4.998 ( -1.863 -0.012 4.311) 4.697 5.085 ( -0.514 -0.082 -2.635) 2.686 5.237 ( 0.290 0.075 -2.915) 2.930 5.260 ( 0.041 -0.064 -7.649) 7.649 5.639 ( 6.401 -0.064 14.529) 15.877 5.679 ( 3.469 0.031 10.947) 11.483 6.113 ( -4.110 -0.896 -3.751) 5.636 6.298 ( 9.951 -0.033 -5.513) 11.376 6.823 ( 3.980 0.037 3.769) 5.481 7.021 ( -3.087 -0.458 -0.881) 3.243 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -5.361 -0.142 0.060) 5.363 1.067 ( -4.155 2.895 3.338) 6.065 1.105 ( -3.393 -1.374 0.535) 3.700 1.383 ( -8.391 -2.370 -0.388) 8.728 1.523 ( -4.893 -2.545 -1.637) 5.754 1.597 ( -0.454 -2.114 -0.817) 2.311 1.628 ( -9.174 -0.630 10.358) 13.851 1.967 ( -7.281 2.536 -1.172) 7.799 1.996 ( -6.457 1.337 1.373) 6.735 2.054 ( -4.356 2.628 1.374) 5.270 2.118 ( -3.620 -2.191 -0.691) 4.287 2.285 ( -1.342 -0.775 2.555) 2.988 2.452 ( -14.007 1.644 3.438) 14.516 2.721 ( -12.437 0.676 -4.244) 13.159 2.871 ( -15.756 -0.026 3.391) 16.117 2.971 ( 0.462 -0.126 -1.190) 1.282 3.175 ( -9.907 -0.042 2.859) 10.311 3.679 ( 2.295 0.391 -8.412) 8.728 3.920 ( -1.904 0.153 3.032) 3.584 4.126 ( 0.197 0.161 0.120) 0.282 4.305 ( -1.904 0.868 -5.431) 5.820 4.363 ( 0.576 0.057 -3.893) 3.936 4.716 ( -0.050 -0.120 0.704) 0.716 4.768 ( 0.832 -0.088 -0.617) 1.040 4.814 ( -3.666 -0.067 -2.158) 4.255 4.825 ( 3.009 0.043 -1.778) 3.495 4.981 ( 0.046 0.058 3.769) 3.769 5.057 ( -2.338 -0.102 -0.260) 2.354 5.242 ( 0.752 0.044 -5.218) 5.272 5.279 ( 2.254 -0.353 -7.601) 7.936 5.747 ( 4.723 0.810 13.171) 14.015 5.776 ( 6.608 -1.636 12.916) 14.600 6.005 ( -8.018 -3.232 2.006) 8.875 6.494 ( 10.372 0.314 -8.515) 13.423 6.917 ( 5.903 0.602 1.672) 6.165 6.975 ( -1.459 -1.241 1.919) 2.711 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -2.223 6.075 -0.283) 6.475 0.929 ( -8.336 3.012 1.617) 9.010 1.089 ( -0.272 0.159 2.854) 2.872 1.217 ( -8.176 -0.616 8.225) 11.613 1.430 ( -7.430 -5.153 0.566) 9.060 1.513 ( -5.693 -3.796 9.295) 11.542 1.596 ( -1.389 -1.597 -0.922) 2.308 1.737 ( -12.297 6.747 1.186) 14.077 1.864 ( -6.370 0.150 -3.976) 7.511 1.987 ( -3.720 -0.093 -1.224) 3.918 2.035 ( -6.180 -3.093 -0.684) 6.945 2.245 ( -4.207 1.533 2.643) 5.199 2.279 ( -2.631 -1.094 3.467) 4.488 2.468 ( -10.764 0.136 -3.779) 11.409 2.642 ( -9.323 0.701 1.082) 9.412 2.831 ( -13.100 -0.085 -3.858) 13.656 3.109 ( 1.622 -0.024 7.303) 7.481 3.730 ( 3.471 0.950 -7.941) 8.718 3.852 ( -4.747 0.233 2.310) 5.284 4.094 ( -5.004 0.544 -6.083) 7.895 4.253 ( -0.959 1.066 0.402) 1.489 4.406 ( 3.537 0.424 -4.343) 5.617 4.685 ( -7.037 -0.243 0.028) 7.041 4.711 ( -3.008 0.030 1.071) 3.193 4.758 ( -3.133 -0.717 -1.954) 3.761 4.831 ( -2.776 0.036 -5.100) 5.806 4.976 ( -0.589 0.269 0.955) 1.154 5.017 ( -1.381 0.127 1.077) 1.756 5.269 ( 1.502 -0.731 -4.011) 4.345 5.336 ( 2.892 -0.548 -4.969) 5.776 5.731 ( -9.732 -5.047 15.926) 19.334 5.920 ( 6.548 -3.568 8.996) 11.685 5.941 ( 3.340 0.011 9.958) 10.503 6.644 ( 4.652 0.198 -12.215) 13.073 6.999 ( 5.487 -0.242 5.599) 7.843 7.043 ( 6.368 0.578 0.407) 6.408 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -5.841 4.749 9.859) 12.404 0.810 ( 0.402 13.079 1.904) 13.223 1.020 ( -5.925 1.405 1.920) 6.385 1.147 ( -3.354 -2.049 10.402) 11.119 1.275 ( -6.891 1.854 9.191) 11.636 1.405 ( -4.490 2.925 1.841) 5.666 1.560 ( -3.733 -2.687 -0.199) 4.604 1.566 ( -3.295 1.174 0.511) 3.535 1.760 ( -6.880 -1.851 -7.756) 10.532 1.875 ( -5.029 -5.513 -1.204) 7.558 2.011 ( 1.645 -2.776 -0.833) 3.333 2.205 ( -0.093 0.540 2.758) 2.811 2.244 ( -1.215 -1.393 1.759) 2.551 2.370 ( -1.984 -0.109 -5.030) 5.408 2.511 ( -3.683 0.529 -1.054) 3.867 2.601 ( -9.910 0.172 -2.991) 10.353 3.155 ( 2.753 -0.149 8.370) 8.813 3.763 ( -3.732 0.240 1.168) 3.918 3.790 ( 2.567 0.972 -5.534) 6.177 3.958 ( -7.098 0.218 -9.739) 12.053 4.275 ( 3.092 0.775 2.793) 4.238 4.466 ( 1.662 0.933 -6.272) 6.555 4.522 ( -8.550 -0.230 1.030) 8.615 4.617 ( -11.698 -2.415 -3.419) 12.425 4.667 ( -2.823 -0.049 0.415) 2.854 4.743 ( -5.242 0.272 -3.027) 6.059 4.965 ( -0.307 0.370 0.586) 0.758 5.005 ( -0.085 0.493 -0.293) 0.580 5.286 ( -0.670 -2.642 5.826) 6.432 5.379 ( 1.315 -0.567 -2.667) 3.027 5.569 ( -7.625 -6.487 18.488) 21.024 5.999 ( 2.977 0.698 10.118) 10.570 6.070 ( 5.451 -3.721 8.452) 10.723 6.678 ( 0.064 -0.803 -11.012) 11.041 7.134 ( 5.750 1.661 1.632) 6.204 7.150 ( 6.385 0.491 1.759) 6.641 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -0.000 6.685 14.556) 16.017 0.750 ( -0.000 11.487 10.763) 15.741 0.905 ( -0.000 9.553 -4.617) 10.610 1.075 ( -0.000 2.849 17.089) 17.325 1.251 ( 0.000 -0.042 5.386) 5.386 1.341 ( -0.000 3.074 -3.969) 5.020 1.533 ( -0.000 2.934 2.546) 3.885 1.536 ( 0.000 -6.293 0.369) 6.303 1.674 ( 0.000 -1.962 -5.106) 5.470 1.879 ( 0.000 -7.242 -2.832) 7.776 2.064 ( 0.000 -4.212 0.099) 4.213 2.209 ( 0.000 -0.832 5.057) 5.125 2.248 ( 0.000 -1.253 -5.194) 5.343 2.346 ( -0.000 0.120 -7.082) 7.083 2.491 ( 0.000 -0.260 -1.764) 1.783 2.498 ( -0.000 0.563 -3.013) 3.065 3.196 ( 0.000 -1.081 8.549) 8.618 3.722 ( -0.000 0.117 0.969) 0.977 3.800 ( -0.000 0.149 -0.967) 0.979 3.893 ( -0.000 0.645 -13.763) 13.778 4.336 ( -0.000 0.354 4.184) 4.199 4.382 ( -0.000 0.172 0.373) 0.411 4.401 ( -0.000 0.120 -0.118) 0.168 4.545 ( -0.000 0.723 -4.032) 4.096 4.637 ( -0.000 0.132 0.499) 0.517 4.680 ( -0.000 0.084 -0.574) 0.580 4.960 ( -0.000 0.407 0.729) 0.834 5.002 ( -0.000 0.782 -0.501) 0.929 5.290 ( 0.000 -3.982 13.064) 13.657 5.393 ( 0.000 -0.590 -1.962) 2.048 5.531 ( 0.000 -5.828 16.325) 17.334 6.024 ( -0.000 0.840 10.603) 10.636 6.145 ( 0.000 -4.574 7.492) 8.778 6.682 ( 0.000 -1.283 -10.306) 10.385 7.169 ( -0.000 2.560 0.543) 2.617 7.229 ( -0.000 0.069 0.754) 0.758 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -4.589 0.000 -0.225) 4.594 1.090 ( -0.962 0.000 6.046) 6.122 1.091 ( -5.883 0.000 -1.936) 6.193 1.369 ( -8.051 0.000 -0.132) 8.053 1.512 ( -5.821 0.000 -1.452) 5.999 1.586 ( -0.050 0.000 -1.732) 1.732 1.625 ( -9.773 0.000 11.070) 14.767 1.983 ( -8.342 0.000 -1.471) 8.470 1.998 ( -3.839 0.000 1.648) 4.178 2.080 ( -6.419 0.000 4.218) 7.680 2.096 ( -3.367 0.000 -3.830) 5.100 2.281 ( -1.159 0.000 2.692) 2.931 2.461 ( -14.175 0.000 3.378) 14.572 2.724 ( -12.598 0.000 -4.195) 13.278 2.871 ( -15.593 0.000 3.349) 15.949 2.970 ( 0.451 -0.000 -1.214) 1.295 3.175 ( -9.896 0.000 2.880) 10.306 3.681 ( 2.379 -0.000 -8.427) 8.756 3.921 ( -1.885 0.000 3.046) 3.582 4.127 ( 0.248 -0.000 0.146) 0.288 4.310 ( -1.811 0.000 -5.530) 5.819 4.363 ( 0.621 -0.000 -3.842) 3.892 4.715 ( -0.031 0.000 0.703) 0.703 4.768 ( 0.812 -0.000 -0.612) 1.017 4.813 ( -3.700 0.000 -2.146) 4.277 4.825 ( 3.031 -0.000 -1.789) 3.519 4.981 ( 0.109 -0.000 3.804) 3.806 5.057 ( -2.310 0.000 -0.306) 2.330 5.242 ( 0.651 -0.000 -5.076) 5.118 5.277 ( 2.213 -0.000 -7.755) 8.065 5.756 ( 4.965 -0.000 14.981) 15.783 5.763 ( 5.844 -0.000 11.183) 12.618 5.989 ( -8.123 0.000 2.449) 8.484 6.496 ( 10.432 -0.000 -8.489) 13.450 6.921 ( 6.270 -0.000 1.256) 6.395 6.968 ( -1.712 0.000 2.147) 2.746 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.344 2.254 -2.568) 3.434 0.949 ( -8.424 0.897 0.257) 8.475 1.109 ( 2.235 3.001 5.658) 6.784 1.201 ( -8.603 -2.248 8.573) 12.352 1.380 ( -9.596 -3.401 4.015) 10.944 1.496 ( -4.726 -0.459 6.818) 8.308 1.582 ( -0.609 -0.897 -2.026) 2.298 1.787 ( -11.698 2.948 -0.402) 12.070 1.868 ( -8.014 0.404 -0.475) 8.038 1.989 ( -5.581 0.695 -3.226) 6.484 2.007 ( -5.092 -2.448 -0.505) 5.672 2.258 ( -3.461 1.098 3.424) 4.991 2.269 ( -3.903 -0.997 3.003) 5.024 2.469 ( -10.897 0.038 -3.643) 11.490 2.647 ( -9.286 0.252 0.869) 9.330 2.831 ( -13.022 -0.030 -3.896) 13.593 3.109 ( 1.628 -0.008 7.500) 7.675 3.737 ( 3.559 0.333 -7.927) 8.695 3.853 ( -4.777 0.082 2.320) 5.311 4.097 ( -4.956 0.197 -6.035) 7.812 4.261 ( -1.182 0.405 0.288) 1.282 4.409 ( 3.676 0.152 -4.211) 5.592 4.683 ( -7.082 -0.085 -0.001) 7.083 4.712 ( -2.881 0.040 1.119) 3.091 4.752 ( -3.686 -0.316 -2.122) 4.265 4.832 ( -2.769 0.017 -4.910) 5.636 4.978 ( -0.573 0.104 0.970) 1.132 5.018 ( -1.276 0.041 1.163) 1.728 5.263 ( 1.032 -0.325 -3.603) 3.762 5.332 ( 2.916 -0.208 -5.093) 5.872 5.696 ( -11.410 -1.867 16.360) 20.033 5.898 ( 7.527 -1.064 9.031) 11.804 5.942 ( 3.826 0.022 10.381) 11.064 6.645 ( 4.300 0.048 -12.117) 12.857 6.997 ( 5.730 -0.079 5.574) 7.994 7.047 ( 6.793 0.211 0.206) 6.799 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -5.730 2.262 8.474) 10.476 0.924 ( 2.372 9.214 -2.220) 9.770 1.032 ( -5.788 1.494 5.768) 8.307 1.135 ( -5.951 -0.234 14.518) 15.692 1.259 ( 0.208 -4.515 7.106) 8.421 1.429 ( -2.763 1.600 2.129) 3.837 1.551 ( -7.467 1.036 -0.903) 7.592 1.582 ( -2.589 1.362 -0.291) 2.940 1.752 ( -5.951 0.345 -5.890) 8.380 1.823 ( -7.901 -5.025 -2.261) 9.633 1.987 ( 0.698 -2.064 -2.987) 3.697 2.211 ( -0.821 0.660 3.744) 3.889 2.230 ( -1.107 -1.309 2.802) 3.285 2.368 ( -1.998 -0.089 -5.189) 5.561 2.515 ( -4.110 0.210 -1.198) 4.286 2.603 ( -9.774 0.109 -3.064) 10.243 3.154 ( 2.558 -0.089 8.799) 9.164 3.764 ( -3.952 0.125 1.358) 4.180 3.798 ( 2.350 0.495 -5.498) 6.000 3.959 ( -7.228 0.114 -9.800) 12.177 4.281 ( 2.914 0.452 2.956) 4.176 4.473 ( 1.554 0.531 -6.096) 6.313 4.520 ( -8.588 -0.164 0.966) 8.644 4.598 ( -11.383 -1.359 -2.641) 11.764 4.667 ( -2.567 -0.004 0.549) 2.625 4.745 ( -5.199 0.178 -2.878) 5.945 4.968 ( -0.309 0.213 0.659) 0.759 5.009 ( 0.046 0.268 -0.246) 0.367 5.264 ( -1.444 -1.731 8.741) 9.027 5.374 ( 1.396 -0.289 -2.855) 3.191 5.527 ( -5.618 -2.500 14.906) 16.125 6.007 ( 3.400 0.977 10.160) 10.758 6.040 ( 4.973 -2.589 8.627) 10.289 6.672 ( -0.190 -0.459 -10.525) 10.536 7.145 ( 7.528 0.572 2.620) 7.991 7.156 ( 4.891 0.597 0.549) 4.957 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -0.000 3.823 14.505) 15.001 0.851 ( -0.000 8.852 9.653) 13.097 0.973 ( -0.000 4.945 -2.684) 5.626 1.082 ( 0.000 -1.491 14.556) 14.632 1.290 ( -0.000 7.257 7.458) 10.406 1.370 ( -0.000 2.705 -2.264) 3.528 1.476 ( 0.000 -5.840 0.326) 5.849 1.564 ( -0.000 3.261 1.503) 3.590 1.656 ( 0.000 -1.666 -6.932) 7.130 1.807 ( 0.000 -7.318 -3.187) 7.982 2.023 ( 0.000 -4.069 -3.183) 5.166 2.202 ( 0.000 -0.576 5.426) 5.457 2.236 ( 0.000 -1.138 -1.478) 1.865 2.347 ( 0.000 -0.019 -6.822) 6.822 2.487 ( 0.000 -0.488 -1.527) 1.604 2.503 ( -0.000 0.380 -3.107) 3.131 3.187 ( 0.000 -0.639 9.382) 9.404 3.723 ( -0.000 0.083 0.963) 0.967 3.801 ( -0.000 0.105 -0.982) 0.988 3.898 ( -0.000 0.401 -13.469) 13.475 4.339 ( -0.000 0.244 4.249) 4.256 4.383 ( -0.000 0.122 0.375) 0.394 4.402 ( -0.000 0.085 -0.104) 0.135 4.552 ( -0.000 0.706 -4.490) 4.545 4.638 ( -0.000 0.094 0.488) 0.497 4.681 ( -0.000 0.060 -0.575) 0.578 4.964 ( -0.000 0.293 0.827) 0.878 5.008 ( -0.000 0.528 -0.554) 0.766 5.256 ( 0.000 -2.851 16.361) 16.608 5.389 ( 0.000 -0.337 -2.185) 2.211 5.494 ( 0.000 -2.150 10.106) 10.332 6.033 ( -0.000 1.111 10.790) 10.848 6.105 ( 0.000 -3.588 7.342) 8.172 6.671 ( 0.000 -0.861 -9.654) 9.693 7.190 ( -0.000 1.685 0.430) 1.739 7.230 ( -0.000 0.131 0.986) 0.995 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -5.627 0.000 7.879) 9.682 0.970 ( 4.377 -0.000 -6.065) 7.480 1.044 ( -7.341 0.000 9.276) 11.829 1.141 ( -11.645 0.000 17.205) 20.775 1.223 ( 7.509 -0.000 5.768) 9.469 1.436 ( -1.864 0.000 1.938) 2.689 1.559 ( -6.377 0.000 -2.274) 6.771 1.590 ( -4.639 0.000 -0.139) 4.641 1.761 ( -2.966 0.000 -1.677) 3.407 1.790 ( -11.714 0.000 -5.299) 12.857 1.976 ( 0.207 -0.000 -3.933) 3.938 2.217 ( -2.110 0.000 5.311) 5.714 2.221 ( -0.026 0.000 2.025) 2.025 2.368 ( -2.013 0.000 -5.240) 5.614 2.516 ( -4.275 0.000 -1.243) 4.452 2.603 ( -9.725 0.000 -3.093) 10.205 3.154 ( 2.490 -0.000 8.951) 9.291 3.765 ( -4.011 0.000 1.404) 4.250 3.800 ( 2.246 -0.000 -5.459) 5.903 3.960 ( -7.268 0.000 -9.822) 12.219 4.283 ( 2.847 -0.000 3.017) 4.148 4.476 ( 1.513 -0.000 -6.052) 6.238 4.519 ( -8.673 0.000 0.962) 8.726 4.591 ( -11.097 0.000 -2.342) 11.341 4.667 ( -2.504 0.000 0.580) 2.570 4.746 ( -5.190 0.000 -2.840) 5.917 4.969 ( -0.311 0.000 0.689) 0.756 5.010 ( 0.091 -0.000 -0.221) 0.239 5.255 ( -1.637 0.000 9.651) 9.789 5.373 ( 1.431 -0.000 -2.935) 3.265 5.516 ( -4.947 0.000 13.636) 14.505 6.017 ( 3.182 -0.000 12.199) 12.608 6.022 ( 5.153 -0.000 6.690) 8.444 6.670 ( -0.269 0.000 -10.356) 10.360 7.147 ( 8.006 -0.000 2.911) 8.519 7.159 ( 4.511 -0.000 0.209) 4.516 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -0.000 1.187 13.578) 13.629 0.914 ( -0.000 3.533 9.253) 9.905 1.012 ( -0.000 3.338 -1.842) 3.812 1.057 ( 0.000 -2.937 16.475) 16.734 1.355 ( -0.000 4.358 6.244) 7.615 1.393 ( -0.000 1.957 -1.103) 2.246 1.429 ( 0.000 -3.416 0.289) 3.428 1.591 ( -0.000 1.979 1.277) 2.355 1.644 ( 0.000 -0.682 -8.265) 8.293 1.748 ( 0.000 -3.877 -3.083) 4.953 1.991 ( 0.000 -1.961 -5.463) 5.804 2.198 ( 0.000 -0.205 5.636) 5.640 2.228 ( 0.000 -0.416 0.948) 1.036 2.346 ( 0.000 -0.019 -6.705) 6.705 2.483 ( 0.000 -0.206 -1.490) 1.504 2.505 ( -0.000 0.134 -3.160) 3.162 3.183 ( 0.000 -0.211 9.772) 9.774 3.724 ( -0.000 0.030 0.959) 0.960 3.802 ( -0.000 0.038 -0.990) 0.991 3.901 ( -0.000 0.136 -13.332) 13.333 4.341 ( -0.000 0.089 4.279) 4.280 4.384 ( -0.000 0.044 0.376) 0.378 4.403 ( -0.000 0.031 -0.097) 0.102 4.557 ( -0.000 0.287 -4.731) 4.740 4.638 ( -0.000 0.034 0.481) 0.482 4.681 ( -0.000 0.021 -0.576) 0.576 4.966 ( -0.000 0.107 0.895) 0.902 5.012 ( -0.000 0.185 -0.557) 0.587 5.237 ( 0.000 -0.969 17.093) 17.120 5.386 ( 0.000 -0.108 -2.307) 2.310 5.482 ( 0.000 -0.566 7.746) 7.766 6.045 ( -0.000 1.082 11.751) 11.801 6.077 ( 0.000 -1.960 6.502) 6.791 6.665 ( 0.000 -0.300 -9.308) 9.313 7.202 ( -0.000 0.597 0.381) 0.708 7.231 ( -0.000 0.051 1.150) 1.151 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 0.000 0.000 12.779) 12.779 0.648 ( 0.000 0.000 -10.154) 10.154 0.759 ( 0.000 0.000 18.241) 18.241 1.060 ( 0.000 0.000 -13.975) 13.975 1.211 ( 0.000 0.000 9.058) 9.058 1.319 ( 0.000 0.000 -3.968) 3.968 1.688 ( 0.000 0.000 0.533) 0.533 1.701 ( 0.000 0.000 -0.934) 0.934 1.760 ( 0.000 0.000 21.911) 21.911 2.094 ( 0.000 0.000 4.058) 4.058 2.118 ( 0.000 0.000 -13.919) 13.919 2.157 ( 0.000 0.000 -3.217) 3.217 2.289 ( 0.000 0.000 4.208) 4.208 2.320 ( 0.000 0.000 5.102) 5.102 2.383 ( 0.000 0.000 -5.157) 5.157 2.412 ( 0.000 0.000 -4.522) 4.522 3.334 ( 0.000 0.000 8.031) 8.031 3.558 ( 0.000 0.000 -15.893) 15.893 3.743 ( 0.000 0.000 1.549) 1.549 3.772 ( 0.000 0.000 -1.502) 1.502 4.385 ( 0.000 0.000 0.483) 0.483 4.393 ( 0.000 0.000 -0.359) 0.359 4.397 ( 0.000 0.000 4.184) 4.184 4.477 ( 0.000 0.000 -4.261) 4.261 4.646 ( 0.000 0.000 0.881) 0.881 4.663 ( 0.000 0.000 -0.900) 0.900 4.964 ( 0.000 0.000 0.766) 0.766 4.974 ( 0.000 0.000 -0.294) 0.294 5.351 ( 0.000 0.000 0.367) 0.367 5.372 ( 0.000 0.000 -1.810) 1.810 6.163 ( 0.000 0.000 11.179) 11.179 6.254 ( 0.000 0.000 5.286) 5.286 6.454 ( 0.000 0.000 -10.164) 10.164 6.455 ( 0.000 0.000 -6.365) 6.365 7.152 ( 0.000 0.000 4.980) 4.980 7.225 ( 0.000 0.000 -2.991) 2.991 ======================= Grid point 351 (100/147) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 11.698 -2.093 9.376) 15.137 0.705 ( 6.586 -0.982 -3.144) 7.364 0.881 ( 10.043 -1.966 8.790) 13.491 1.092 ( 2.461 -0.851 -10.934) 11.240 1.292 ( 7.632 -0.824 5.311) 9.335 1.360 ( 4.530 -0.374 -2.626) 5.250 1.710 ( 2.150 0.778 6.318) 6.719 1.769 ( 6.251 1.034 -3.076) 7.043 1.830 ( 8.072 0.621 17.219) 19.027 2.071 ( -1.667 2.011 3.259) 4.176 2.121 ( -2.759 1.233 -1.628) 3.433 2.150 ( 3.931 -0.533 -11.640) 12.298 2.235 ( -3.044 -0.699 4.261) 5.283 2.321 ( -0.068 -0.163 -3.268) 3.273 2.467 ( 8.369 -0.225 1.747) 8.552 2.530 ( 10.234 -0.013 -4.017) 10.994 3.294 ( -3.189 -0.371 8.989) 9.545 3.516 ( -3.500 -0.613 -14.420) 14.852 3.791 ( 4.522 -0.061 2.072) 4.974 3.837 ( 5.874 -0.080 -3.248) 6.713 4.279 ( -4.355 -0.267 1.674) 4.673 4.323 ( -3.059 -0.335 -3.609) 4.743 4.565 ( 9.278 0.180 2.346) 9.572 4.618 ( 9.209 0.397 -3.578) 9.888 4.678 ( 2.973 -0.038 1.006) 3.139 4.700 ( 3.407 -0.047 -1.280) 3.639 4.965 ( 0.265 -0.071 0.785) 0.831 4.977 ( 0.567 -0.133 -0.516) 0.778 5.323 ( -2.969 -0.023 0.513) 3.013 5.350 ( -2.445 0.020 -2.239) 3.315 6.160 ( -0.386 0.460 10.331) 10.349 6.203 ( -4.603 1.605 6.763) 8.337 6.386 ( -5.562 2.866 -4.439) 7.672 6.438 ( -2.184 -1.001 -11.330) 11.582 7.129 ( -2.266 -0.078 4.198) 4.771 7.177 ( -4.334 0.288 -0.833) 4.423 ======================= Grid point 352 (101/147) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 15.367 0.402 5.315) 16.265 0.873 ( 9.483 -0.497 1.126) 9.562 1.096 ( 10.803 -1.141 -0.504) 10.875 1.139 ( 2.677 -1.114 -4.133) 5.049 1.458 ( 8.803 -1.592 1.133) 9.017 1.494 ( 8.224 -3.247 -2.049) 9.076 1.760 ( 3.749 1.952 7.209) 8.357 1.862 ( 3.789 3.698 -5.622) 7.723 2.000 ( 4.200 5.860 7.770) 10.599 2.022 ( -2.271 1.010 1.284) 2.798 2.110 ( 7.690 -3.914 7.858) 11.670 2.216 ( 1.467 -1.032 5.261) 5.558 2.293 ( 6.718 -1.323 -4.607) 8.252 2.345 ( 6.145 0.266 -8.276) 10.311 2.672 ( 12.847 -0.066 4.151) 13.502 2.756 ( 12.859 0.068 -4.657) 13.677 3.247 ( -1.671 -0.482 9.173) 9.337 3.462 ( -2.263 -0.884 -13.427) 13.645 3.892 ( 5.630 -0.259 3.405) 6.585 3.964 ( 6.869 -0.359 -4.499) 8.218 4.225 ( -1.883 -0.606 1.633) 2.565 4.281 ( -1.808 -0.571 -4.616) 4.990 4.708 ( 5.166 0.253 0.957) 5.261 4.736 ( 3.239 0.268 0.659) 3.316 4.742 ( 3.656 0.127 -2.151) 4.244 4.762 ( 2.298 -0.049 -1.521) 2.756 4.989 ( 2.653 -0.113 1.565) 3.082 5.012 ( 3.290 -0.105 -0.661) 3.358 5.244 ( -5.049 0.039 -0.051) 5.049 5.277 ( -5.173 0.044 -3.318) 6.146 6.088 ( -6.195 1.571 9.120) 11.137 6.133 ( -2.745 -0.119 10.250) 10.611 6.254 ( -6.110 3.410 -4.273) 8.199 6.380 ( -4.711 -0.977 -11.994) 12.923 7.080 ( -2.755 0.778 2.284) 3.662 7.087 ( -4.120 0.527 1.743) 4.504 ======================= Grid point 353 (102/147) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 4.785 -0.183 2.650) 5.473 1.064 ( 7.172 1.142 -2.002) 7.533 1.209 ( 9.918 2.222 5.482) 11.548 1.331 ( 12.584 1.228 -6.498) 14.216 1.647 ( 9.830 -3.940 1.431) 10.686 1.667 ( 7.613 -3.341 -0.617) 8.336 1.803 ( 1.837 6.463 2.974) 7.348 1.866 ( 0.050 5.328 -3.774) 6.529 1.977 ( -0.462 -1.473 2.548) 2.979 2.012 ( 0.489 -2.922 -1.835) 3.485 2.231 ( 2.552 0.204 8.553) 8.928 2.334 ( 1.278 0.648 -2.079) 2.524 2.434 ( 16.944 -2.723 9.152) 19.449 2.578 ( 13.063 -1.371 -5.667) 14.305 2.933 ( 14.514 0.243 2.026) 14.657 2.957 ( 6.876 0.123 -0.981) 6.946 3.258 ( 3.660 -0.142 6.614) 7.561 3.443 ( -0.169 -0.541 -12.473) 12.486 3.981 ( 2.977 -0.380 4.830) 5.687 4.074 ( 4.077 -0.410 -4.553) 6.125 4.208 ( -0.333 -0.609 0.908) 1.143 4.265 ( 0.159 -0.380 -4.609) 4.627 4.747 ( 0.135 0.174 1.352) 1.370 4.767 ( -0.450 0.085 0.005) 0.458 4.779 ( -0.325 0.017 -1.956) 1.983 4.782 ( 0.848 0.037 -1.631) 1.838 5.054 ( 3.159 0.208 3.891) 5.016 5.080 ( 2.693 -0.218 1.834) 3.265 5.161 ( -2.798 0.523 -3.447) 4.471 5.182 ( -3.463 -0.277 -4.579) 5.747 5.970 ( -5.583 0.922 10.554) 11.975 6.046 ( -6.472 -0.459 13.070) 14.592 6.145 ( -3.923 2.839 -8.256) 9.571 6.273 ( -6.919 -0.834 -11.198) 13.190 7.006 ( -3.082 1.325 4.090) 5.290 7.050 ( -0.671 1.230 -0.600) 1.524 ======================= Grid point 354 (103/147) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.589 -0.081 2.195) 2.274 1.104 ( -0.117 -0.423 -2.399) 2.439 1.450 ( 14.842 5.397 5.476) 16.716 1.556 ( 12.292 3.878 -5.522) 14.022 1.728 ( -1.054 5.136 -0.082) 5.244 1.730 ( -2.424 6.477 -0.202) 6.919 1.881 ( 9.791 -4.697 2.076) 11.056 1.921 ( 6.901 -4.076 -2.503) 8.397 2.025 ( 3.194 -3.834 1.611) 5.244 2.046 ( 1.169 -2.964 -1.067) 3.360 2.269 ( 1.609 0.152 7.233) 7.411 2.336 ( -1.039 0.040 -0.063) 1.041 2.729 ( 11.220 -1.791 3.870) 12.003 2.791 ( 8.608 -1.285 -3.652) 9.438 3.013 ( 1.734 0.228 10.538) 10.682 3.191 ( 12.257 0.265 -4.634) 13.107 3.366 ( 5.874 -0.057 1.661) 6.105 3.456 ( 1.178 0.039 -9.575) 9.647 3.987 ( -2.610 -0.149 5.462) 6.056 4.100 ( -2.263 -0.178 -5.957) 6.375 4.223 ( 2.362 -0.140 3.032) 3.846 4.307 ( 4.441 -0.015 -5.469) 7.046 4.733 ( -1.366 0.148 0.527) 1.471 4.737 ( -2.060 -0.072 0.278) 2.079 4.770 ( 0.470 0.309 -0.279) 0.627 4.787 ( 0.464 0.160 -2.179) 2.234 5.075 ( 0.165 0.358 2.736) 2.764 5.086 ( -0.680 0.143 1.471) 1.627 5.159 ( 1.453 0.116 -3.077) 3.405 5.178 ( 0.835 -0.244 -3.186) 3.303 5.871 ( -4.742 0.290 10.788) 11.788 5.922 ( -6.299 -0.005 13.720) 15.097 6.065 ( -3.674 1.470 -10.127) 10.873 6.143 ( -6.836 -0.396 -9.954) 12.082 6.956 ( -1.637 1.418 5.999) 6.378 7.041 ( 0.233 1.458 -3.094) 3.429 ======================= Grid point 355 (104/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.497 -0.342 1.664) 1.770 1.091 ( -1.354 -0.545 -1.659) 2.209 1.629 ( -2.767 5.621 2.426) 6.718 1.652 ( -1.430 3.589 -0.699) 3.926 1.683 ( 11.129 5.325 3.313) 12.774 1.766 ( 9.883 5.575 -4.594) 12.242 2.050 ( 3.157 -5.174 0.646) 6.095 2.062 ( 1.610 -4.402 -0.429) 4.707 2.095 ( 5.290 -3.069 1.068) 6.208 2.121 ( 6.394 -2.463 -1.494) 7.013 2.290 ( -1.806 -0.526 3.021) 3.559 2.297 ( -0.223 -0.484 2.885) 2.933 2.812 ( -1.561 -0.544 4.608) 4.895 2.914 ( 4.275 -0.681 -5.569) 7.053 3.092 ( 5.633 0.178 13.357) 14.497 3.360 ( 5.367 0.656 -12.080) 13.235 3.445 ( 2.595 -0.392 1.885) 3.232 3.483 ( 1.875 -0.094 -4.040) 4.454 3.902 ( -5.429 0.162 4.616) 7.128 4.001 ( -6.802 0.040 -5.740) 8.900 4.307 ( 5.901 0.288 5.458) 8.043 4.421 ( 6.917 0.248 -6.736) 9.658 4.707 ( -0.551 0.007 0.948) 1.096 4.724 ( 0.199 0.109 -0.694) 0.730 4.797 ( 2.481 0.366 -0.028) 2.508 4.810 ( 1.863 0.264 -1.485) 2.397 5.072 ( -0.576 0.293 1.191) 1.355 5.085 ( 0.825 0.155 1.363) 1.601 5.169 ( -0.439 -0.025 -2.692) 2.728 5.175 ( -1.303 -0.256 -1.823) 2.255 5.789 ( -3.900 -0.175 10.534) 11.234 5.822 ( -4.096 0.156 13.963) 14.552 5.995 ( -3.062 0.622 -11.347) 11.770 6.033 ( -4.762 0.052 -8.705) 9.922 6.927 ( -0.863 1.064 7.295) 7.422 7.040 ( 0.216 1.120 -4.750) 4.885 ======================= Grid point 356 (105/147) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.153 -0.344 0.832) 0.913 1.068 ( -0.954 -0.149 -0.745) 1.220 1.561 ( -1.591 1.993 3.117) 4.027 1.610 ( -0.958 1.347 -2.160) 2.720 1.840 ( 6.390 3.583 3.520) 8.127 1.902 ( 6.140 3.538 -2.752) 7.602 2.054 ( -2.862 -3.169 0.992) 4.384 2.072 ( -1.259 -2.103 -0.512) 2.504 2.187 ( 1.330 -1.130 4.562) 4.885 2.235 ( 2.845 -1.589 -0.819) 3.360 2.249 ( -0.418 -1.066 1.891) 2.210 2.334 ( 2.101 -0.050 -5.759) 6.131 2.764 ( -2.222 -0.059 13.303) 13.488 2.967 ( 1.281 -0.178 -7.828) 7.934 3.161 ( 1.661 0.276 9.519) 9.666 3.397 ( 0.266 0.672 -13.987) 14.005 3.481 ( 0.994 -0.327 2.161) 2.401 3.520 ( 1.284 -0.284 -1.540) 2.025 3.820 ( -2.510 0.115 3.652) 4.433 3.898 ( -3.183 0.003 -4.481) 5.496 4.401 ( 3.208 0.206 6.047) 6.848 4.524 ( 3.287 0.163 -7.097) 7.823 4.708 ( 0.397 0.034 0.604) 0.724 4.732 ( 0.382 0.053 -1.603) 1.648 4.838 ( 1.075 0.139 0.058) 1.085 4.844 ( 1.693 0.164 -0.500) 1.773 5.059 ( -0.454 0.125 3.084) 3.119 5.103 ( 0.884 0.042 1.218) 1.506 5.143 ( -1.506 -0.172 -1.544) 2.164 5.153 ( -0.913 -0.039 -4.687) 4.775 5.734 ( -1.768 -0.170 10.419) 10.569 5.771 ( -1.324 0.098 13.980) 14.043 5.951 ( -1.286 0.153 -12.322) 12.390 5.970 ( -1.687 0.114 -7.509) 7.697 6.913 ( -0.301 0.392 7.907) 7.923 7.038 ( 0.043 0.417 -5.539) 5.555 ======================= Grid point 364 (106/147) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 16.149 -0.000 5.064) 16.924 0.871 ( 9.683 -0.000 1.633) 9.820 1.090 ( 12.381 -0.000 -0.391) 12.388 1.134 ( 2.176 -0.000 -4.370) 4.882 1.451 ( 8.679 -0.000 0.337) 8.685 1.477 ( 7.744 -0.000 -1.727) 7.934 1.769 ( 4.076 -0.000 8.161) 9.123 1.881 ( 4.542 -0.000 -5.920) 7.462 2.024 ( -2.160 0.000 3.443) 4.064 2.054 ( -4.373 0.000 -1.151) 4.522 2.068 ( 14.345 -0.000 14.428) 20.346 2.212 ( 1.173 -0.000 5.684) 5.803 2.285 ( 7.721 -0.000 -5.355) 9.396 2.346 ( 5.504 -0.000 -8.027) 9.732 2.672 ( 12.924 -0.000 4.231) 13.599 2.756 ( 12.876 -0.000 -4.661) 13.694 3.244 ( -1.567 0.000 9.003) 9.139 3.458 ( -2.142 0.000 -13.400) 13.570 3.891 ( 5.601 -0.000 3.382) 6.543 3.962 ( 6.842 -0.000 -4.473) 8.174 4.222 ( -1.860 0.000 1.623) 2.468 4.279 ( -1.736 0.000 -4.653) 4.966 4.709 ( 5.063 -0.000 0.966) 5.154 4.738 ( 3.086 -0.000 1.265) 3.335 4.743 ( 3.751 -0.000 -2.818) 4.692 4.762 ( 2.305 -0.000 -1.452) 2.724 4.988 ( 2.687 -0.000 1.573) 3.114 5.011 ( 3.328 -0.000 -0.657) 3.392 5.245 ( -5.014 0.000 -0.078) 5.015 5.277 ( -5.190 0.000 -3.349) 6.177 6.096 ( -6.524 0.000 9.309) 11.367 6.132 ( -3.016 0.000 10.715) 11.132 6.272 ( -6.429 0.000 -5.929) 8.746 6.374 ( -4.603 0.000 -11.702) 12.575 7.084 ( -2.064 0.000 2.307) 3.095 7.090 ( -4.577 0.000 1.870) 4.945 ======================= Grid point 365 (107/147) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 4.855 -0.110 2.968) 5.691 1.072 ( 5.951 0.411 -2.843) 6.608 1.227 ( 11.794 1.187 5.465) 13.053 1.340 ( 14.031 0.504 -5.567) 15.104 1.620 ( 9.344 -1.322 0.440) 9.448 1.639 ( 8.605 -1.895 -0.999) 8.868 1.852 ( 4.460 2.970 4.750) 7.160 1.919 ( -0.858 5.119 -2.527) 5.773 1.960 ( -3.979 -2.001 0.265) 4.462 1.980 ( -0.813 -3.096 -2.611) 4.130 2.232 ( 2.599 0.049 9.046) 9.412 2.338 ( 1.124 0.253 -2.258) 2.535 2.415 ( 17.758 -1.079 10.075) 20.446 2.568 ( 13.074 -0.506 -5.849) 14.332 2.935 ( 14.624 0.090 2.021) 14.763 2.957 ( 6.827 0.039 -0.936) 6.891 3.258 ( 3.811 -0.048 6.439) 7.482 3.439 ( 0.087 -0.200 -12.397) 12.399 3.978 ( 3.027 -0.141 4.792) 5.670 4.071 ( 4.180 -0.150 -4.595) 6.213 4.204 ( -0.197 -0.217 1.015) 1.057 4.262 ( 0.314 -0.138 -4.690) 4.702 4.748 ( 0.150 0.064 1.264) 1.274 4.767 ( -0.532 0.029 -0.045) 0.535 4.779 ( -0.430 0.003 -1.912) 1.960 4.782 ( 0.971 0.019 -1.548) 1.828 5.056 ( 3.417 0.114 3.985) 5.251 5.079 ( 2.498 -0.109 1.811) 3.087 5.165 ( -2.226 0.313 -3.503) 4.163 5.179 ( -4.003 -0.240 -4.609) 6.109 5.976 ( -5.914 0.355 10.871) 12.381 6.042 ( -6.262 -0.200 12.888) 14.330 6.165 ( -4.717 1.094 -9.284) 10.471 6.266 ( -6.740 -0.381 -10.874) 12.799 7.016 ( -3.095 0.512 4.175) 5.222 7.059 ( -0.591 0.447 -0.488) 0.887 ======================= Grid point 366 (108/147) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.587 -0.041 1.996) 2.080 1.101 ( -0.323 -0.270 -2.297) 2.335 1.497 ( 15.522 3.987 4.858) 16.746 1.590 ( 12.645 2.789 -4.651) 13.759 1.768 ( 2.194 2.644 0.792) 3.526 1.783 ( 1.408 3.403 -0.827) 3.774 1.846 ( 3.636 -1.543 1.912) 4.388 1.889 ( 3.103 -2.303 -2.865) 4.811 1.989 ( 4.320 -3.340 1.691) 5.717 2.018 ( 1.793 -2.520 -1.880) 3.619 2.270 ( 1.477 0.050 7.523) 7.667 2.336 ( -1.480 -0.043 0.262) 1.504 2.715 ( 11.793 -1.017 4.248) 12.576 2.781 ( 8.895 -0.719 -3.782) 9.692 3.015 ( 1.726 0.141 10.562) 10.703 3.193 ( 12.229 0.149 -4.622) 13.074 3.366 ( 5.781 -0.038 1.710) 6.028 3.456 ( 1.364 0.024 -9.589) 9.685 3.986 ( -2.447 -0.090 5.440) 5.965 4.098 ( -2.144 -0.105 -5.992) 6.365 4.222 ( 2.625 -0.076 3.146) 4.098 4.307 ( 4.592 -0.007 -5.506) 7.170 4.734 ( -1.657 0.106 0.408) 1.710 4.736 ( -1.781 -0.073 0.328) 1.813 4.772 ( 0.533 0.189 -0.265) 0.625 4.788 ( 0.517 0.078 -2.150) 2.213 5.078 ( 0.051 0.307 3.120) 3.135 5.086 ( -0.516 -0.027 1.346) 1.442 5.160 ( 1.250 0.137 -3.333) 3.562 5.175 ( 0.940 -0.209 -3.136) 3.280 5.873 ( -5.009 0.173 11.053) 12.136 5.921 ( -6.186 -0.054 13.656) 14.992 6.077 ( -4.200 0.945 -10.969) 11.783 6.139 ( -6.615 -0.316 -9.638) 11.694 6.967 ( -1.794 0.830 6.123) 6.434 7.053 ( 0.093 0.819 -3.026) 3.136 ======================= Grid point 367 (109/147) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -0.607 -0.206 1.521) 1.650 1.086 ( -1.212 -0.360 -1.616) 2.052 1.676 ( -3.542 3.667 0.633) 5.138 1.685 ( -2.609 3.007 -0.369) 3.998 1.741 ( 11.249 6.467 4.444) 13.715 1.823 ( 9.067 6.005 -3.781) 11.514 1.992 ( 4.070 -6.374 0.787) 7.603 2.011 ( 3.489 -5.796 -1.169) 6.865 2.073 ( 4.303 -1.712 1.051) 4.749 2.100 ( 6.286 -1.717 -1.881) 6.783 2.285 ( -3.393 -0.556 3.011) 4.570 2.294 ( 1.121 -0.210 3.285) 3.478 2.807 ( -1.143 -0.413 4.449) 4.611 2.908 ( 4.578 -0.480 -5.645) 7.283 3.094 ( 5.736 0.139 13.907) 15.044 3.366 ( 5.747 0.457 -11.786) 13.121 3.441 ( 2.470 -0.260 1.942) 3.153 3.482 ( 1.541 -0.070 -4.425) 4.686 3.904 ( -5.366 0.111 4.615) 7.079 4.001 ( -6.778 0.020 -5.618) 8.803 4.309 ( 5.981 0.208 5.472) 8.109 4.423 ( 6.962 0.179 -6.696) 9.661 4.707 ( -0.526 0.000 0.986) 1.118 4.725 ( 0.188 0.078 -0.739) 0.766 4.801 ( 2.446 0.281 -0.090) 2.464 4.812 ( 1.839 0.158 -1.460) 2.353 5.075 ( -0.657 0.208 1.229) 1.409 5.087 ( 0.787 0.099 1.538) 1.730 5.169 ( -0.458 -0.010 -2.875) 2.911 5.173 ( -1.316 -0.182 -1.801) 2.238 5.787 ( -4.015 -0.119 10.707) 11.435 5.823 ( -4.076 0.083 13.998) 14.580 6.001 ( -3.365 0.539 -11.930) 12.407 6.033 ( -4.635 -0.041 -8.433) 9.623 6.936 ( -1.155 0.768 7.400) 7.529 7.049 ( -0.083 0.788 -4.711) 4.777 ======================= Grid point 368 (110/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.056 -0.263 0.877) 0.917 1.067 ( -0.782 -0.154 -0.848) 1.164 1.584 ( -3.157 2.651 2.585) 4.866 1.624 ( -2.176 1.374 -1.679) 3.073 1.869 ( 2.493 2.176 3.499) 4.815 1.929 ( 2.323 1.649 -2.605) 3.860 2.028 ( 0.544 -1.839 1.494) 2.431 2.058 ( 1.400 -0.823 -1.227) 2.036 2.174 ( 2.824 -1.380 4.291) 5.319 2.219 ( 4.253 -1.721 -1.045) 4.706 2.240 ( -0.187 -0.792 2.646) 2.768 2.333 ( 2.139 -0.051 -5.974) 6.346 2.763 ( -2.122 -0.061 13.242) 13.412 2.965 ( 1.463 -0.165 -7.871) 8.008 3.163 ( 1.427 0.141 9.811) 9.916 3.403 ( -0.240 0.640 -14.208) 14.225 3.478 ( 1.218 -0.350 2.305) 2.630 3.518 ( 1.553 -0.187 -1.519) 2.180 3.821 ( -2.613 0.089 3.647) 4.487 3.898 ( -3.200 -0.002 -4.372) 5.418 4.403 ( 3.041 0.176 6.049) 6.773 4.526 ( 3.147 0.133 -7.054) 7.725 4.709 ( 0.378 0.022 0.619) 0.726 4.732 ( 0.335 0.046 -1.606) 1.641 4.839 ( 0.930 0.128 0.032) 0.940 4.845 ( 1.572 0.129 -0.534) 1.665 5.060 ( -0.564 0.094 3.136) 3.187 5.104 ( 0.828 0.024 1.379) 1.609 5.142 ( -1.363 -0.119 -1.471) 2.009 5.152 ( -0.896 -0.046 -4.956) 5.037 5.732 ( -1.631 -0.128 10.507) 10.634 5.771 ( -1.411 0.062 14.015) 14.086 5.952 ( -1.448 0.175 -12.579) 12.664 5.971 ( -1.769 0.062 -7.376) 7.586 6.916 ( -0.679 0.328 7.952) 7.987 7.042 ( -0.355 0.345 -5.526) 5.548 ======================= Grid point 369 (111/147) ======================= q-point: (-0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.357 0.357 0.743) 0.898 1.069 ( 1.235 0.089 -0.596) 1.375 1.547 ( -0.191 -0.796 3.356) 3.455 1.599 ( -0.341 -1.009 -2.171) 2.419 1.803 ( -8.517 -3.899 3.338) 9.944 1.865 ( -7.555 -3.741 -3.036) 8.961 2.083 ( 2.975 2.649 1.046) 4.119 2.096 ( 2.673 2.532 -0.016) 3.682 2.196 ( 0.318 0.814 4.595) 4.677 2.249 ( -1.331 1.280 -0.711) 1.979 2.260 ( 0.848 1.021 1.294) 1.853 2.334 ( -2.043 0.034 -5.506) 5.873 2.764 ( 2.318 0.042 13.354) 13.554 2.968 ( -1.081 0.149 -7.795) 7.871 3.158 ( -1.865 -0.371 9.255) 9.448 3.391 ( -0.816 -0.567 -14.131) 14.166 3.484 ( -0.701 0.265 2.361) 2.477 3.523 ( -1.077 0.307 -1.564) 1.924 3.819 ( 2.405 -0.117 3.661) 4.382 3.898 ( 3.161 -0.009 -4.598) 5.580 4.399 ( -3.385 -0.188 6.041) 6.928 4.523 ( -3.432 -0.156 -7.137) 7.921 4.708 ( -0.418 -0.040 0.589) 0.724 4.731 ( -0.430 -0.048 -1.608) 1.666 4.837 ( -1.203 -0.118 0.073) 1.211 4.842 ( -1.855 -0.163 -0.449) 1.916 5.058 ( 0.340 -0.129 3.031) 3.053 5.103 ( -0.942 -0.052 1.034) 1.400 5.145 ( 1.629 0.196 -1.582) 2.279 5.153 ( 0.958 0.012 -4.429) 4.531 5.735 ( 1.917 0.178 10.306) 10.484 5.769 ( 1.224 -0.120 13.935) 13.990 5.950 ( 1.139 -0.085 -12.168) 12.221 5.969 ( 1.578 -0.147 -7.504) 7.670 6.909 ( -0.095 -0.366 7.857) 7.866 7.034 ( -0.469 -0.394 -5.552) 5.585 ======================= Grid point 370 (112/147) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.394 0.434 1.840) 1.932 1.097 ( 1.497 0.641 -1.695) 2.351 1.573 ( -0.925 -5.581 4.505) 7.232 1.616 ( -0.296 -3.750 -0.592) 3.808 1.638 ( -7.827 -3.848 1.560) 8.861 1.715 ( -10.224 -4.816 -5.330) 12.495 2.086 ( -2.052 2.237 0.770) 3.131 2.098 ( -1.577 3.030 -0.016) 3.416 2.133 ( -6.010 4.164 0.717) 7.346 2.149 ( -5.399 3.304 -0.659) 6.364 2.295 ( -0.199 0.328 3.246) 3.269 2.303 ( 1.745 0.589 2.099) 2.793 2.817 ( 2.039 0.526 4.825) 5.265 2.921 ( -3.894 0.727 -5.492) 6.772 3.091 ( -5.430 -0.164 12.679) 13.793 3.354 ( -4.935 -0.710 -12.400) 13.365 3.449 ( -2.761 0.454 1.792) 3.323 3.484 ( -2.250 0.086 -3.588) 4.236 3.901 ( 5.501 -0.181 4.615) 7.182 4.000 ( 6.827 -0.059 -5.884) 9.013 4.304 ( -5.805 -0.298 5.441) 7.962 4.418 ( -6.859 -0.259 -6.782) 9.650 4.707 ( 0.585 -0.015 0.901) 1.074 4.723 ( -0.218 -0.115 -0.646) 0.692 4.794 ( -2.527 -0.356 0.019) 2.552 4.807 ( -1.895 -0.328 -1.489) 2.432 5.069 ( 0.498 -0.315 1.146) 1.289 5.084 ( -0.886 -0.179 1.160) 1.470 5.169 ( 0.425 0.037 -2.470) 2.507 5.178 ( 1.275 0.274 -1.852) 2.266 5.791 ( 3.762 0.209 10.298) 10.966 5.820 ( 4.084 -0.240 13.863) 14.455 5.989 ( 2.746 -0.518 -10.803) 11.158 6.032 ( 4.885 -0.153 -8.774) 10.043 6.917 ( 0.530 -1.103 7.142) 7.246 7.028 ( -0.582 -1.201 -4.787) 4.970 ======================= Grid point 371 (113/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.713 0.079 2.431) 2.535 1.109 ( -0.230 0.420 -2.515) 2.560 1.398 ( -13.717 -5.029 6.210) 15.875 1.518 ( -11.604 -3.690 -6.297) 13.709 1.663 ( 2.272 -6.730 0.365) 7.113 1.676 ( 1.168 -5.530 -0.956) 5.732 1.926 ( -10.600 4.351 2.365) 11.700 1.963 ( -7.498 4.345 -1.966) 8.886 2.062 ( -3.301 3.737 1.283) 5.149 2.074 ( -1.287 2.591 -0.200) 2.900 2.267 ( -1.845 -0.313 6.813) 7.065 2.335 ( 0.441 -0.299 -0.438) 0.690 2.749 ( -10.410 2.132 3.345) 11.140 2.805 ( -8.212 1.566 -3.487) 9.058 3.011 ( -1.787 -0.228 10.506) 10.659 3.188 ( -12.306 -0.319 -4.635) 13.154 3.367 ( -6.003 0.049 1.597) 6.212 3.455 ( -0.919 -0.042 -9.565) 9.609 3.989 ( 2.837 0.164 5.493) 6.184 4.101 ( 2.433 0.201 -5.910) 6.395 4.224 ( -1.986 0.178 2.865) 3.490 4.307 ( -4.232 0.021 -5.417) 6.874 4.731 ( 1.161 -0.181 0.668) 1.351 4.737 ( 2.231 0.056 0.236) 2.244 4.767 ( -0.379 -0.331 -0.315) 0.593 4.785 ( -0.372 -0.225 -2.215) 2.257 5.072 ( -0.192 -0.289 2.448) 2.472 5.083 ( 0.765 -0.319 1.452) 1.672 5.158 ( -1.575 -0.032 -2.824) 3.234 5.180 ( -0.845 0.179 -3.192) 3.307 5.868 ( 4.389 -0.310 10.357) 11.253 5.921 ( 6.367 -0.203 13.650) 15.063 6.050 ( 2.984 -1.525 -8.948) 9.555 6.146 ( 7.125 0.339 -10.143) 12.400 6.941 ( 1.463 -1.619 5.763) 6.162 7.025 ( -0.428 -1.778 -3.160) 3.651 ======================= Grid point 372 (114/147) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -5.033 -0.390 2.190) 5.503 1.052 ( -8.245 -1.091 -0.983) 8.375 1.190 ( -7.424 -1.575 5.515) 9.381 1.319 ( -10.426 -0.956 -7.232) 12.724 1.681 ( -6.170 0.642 1.424) 6.364 1.696 ( -6.302 2.981 0.129) 6.973 1.735 ( -2.285 -6.523 3.569) 7.779 1.829 ( -3.715 -1.419 -5.454) 6.750 1.989 ( -2.760 1.148 4.019) 5.009 2.034 ( -1.611 1.618 -1.534) 2.750 2.228 ( -2.516 -0.434 7.939) 8.340 2.326 ( -1.329 -0.901 -1.965) 2.538 2.465 ( -16.138 3.383 7.991) 18.323 2.594 ( -13.095 1.862 -5.362) 14.272 2.930 ( -14.346 -0.332 2.030) 14.493 2.955 ( -6.933 -0.210 -1.053) 7.015 3.260 ( -3.387 0.220 6.909) 7.698 3.449 ( 0.602 0.736 -12.600) 12.636 3.985 ( -2.892 0.509 4.897) 5.710 4.079 ( -3.898 0.562 -4.487) 5.970 4.216 ( 0.573 0.877 0.705) 1.263 4.270 ( 0.111 0.531 -4.460) 4.493 4.744 ( -0.095 -0.235 1.491) 1.512 4.766 ( 0.332 -0.128 0.064) 0.362 4.779 ( -0.029 -0.048 -1.916) 1.917 4.782 ( -0.485 -0.021 -1.848) 1.911 5.053 ( -2.865 -0.104 3.827) 4.782 5.082 ( -2.805 0.180 1.863) 3.372 5.156 ( 3.105 -0.465 -3.362) 4.600 5.183 ( 3.120 0.008 -4.594) 5.553 5.960 ( 5.051 -1.191 9.929) 11.203 6.050 ( 6.899 0.351 13.339) 15.022 6.112 ( 2.470 -3.700 -6.552) 7.920 6.281 ( 7.143 0.915 -11.518) 13.584 6.991 ( 3.147 -1.640 3.853) 5.239 7.036 ( 0.833 -1.716 -0.745) 2.047 ======================= Grid point 373 (115/147) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -13.228 0.387 5.405) 14.295 0.880 ( -8.885 0.890 0.101) 8.931 1.108 ( -6.802 1.139 -0.033) 6.897 1.157 ( -3.988 2.465 -3.894) 6.095 1.483 ( -9.487 3.597 2.629) 10.481 1.535 ( -8.743 5.001 -2.232) 10.317 1.729 ( -2.781 -4.414 4.647) 6.986 1.813 ( -2.755 -6.192 -5.293) 8.599 1.945 ( -4.755 -4.942 9.716) 11.892 2.011 ( -0.340 -1.495 -0.021) 1.533 2.136 ( -7.938 1.402 8.077) 11.411 2.233 ( -2.464 2.368 4.410) 5.580 2.307 ( -3.605 1.294 -2.868) 4.785 2.342 ( -8.853 -0.042 -9.038) 12.652 2.673 ( -12.644 0.125 3.932) 13.242 2.755 ( -12.806 -0.124 -4.644) 13.623 3.253 ( 1.947 0.847 9.620) 9.852 3.474 ( 2.578 1.489 -13.494) 13.819 3.896 ( -5.708 0.443 3.468) 6.694 3.969 ( -6.941 0.625 -4.571) 8.334 4.234 ( 1.947 1.080 1.655) 2.774 4.289 ( 2.004 0.999 -4.511) 5.036 4.705 ( -5.441 -0.443 0.924) 5.536 4.733 ( -3.718 -0.505 -0.512) 3.787 4.741 ( -3.351 -0.202 -0.804) 3.452 4.763 ( -2.272 0.131 -1.694) 2.837 4.990 ( -2.563 0.229 1.541) 2.999 5.013 ( -3.192 0.203 -0.665) 3.267 5.244 ( 5.133 -0.116 0.014) 5.135 5.276 ( 5.139 -0.164 -3.225) 6.069 6.067 ( 5.222 -2.690 8.581) 10.399 6.131 ( 1.571 -0.993 7.825) 8.043 6.213 ( 6.068 -4.322 0.965) 7.512 6.390 ( 4.746 1.097 -12.391) 13.314 7.071 ( 3.756 -1.011 2.116) 4.428 7.080 ( 3.859 -0.843 1.469) 4.214 ======================= Grid point 374 (116/147) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -8.803 5.762 8.256) 13.374 0.723 ( -5.697 2.671 -2.758) 6.871 0.917 ( -9.596 5.172 7.998) 13.520 1.108 ( -1.926 2.326 -9.865) 10.317 1.308 ( -7.491 2.345 4.806) 9.204 1.368 ( -5.721 1.464 -2.041) 6.248 1.694 ( -2.330 -2.532 4.668) 5.799 1.749 ( -5.683 -3.075 -3.268) 7.241 1.820 ( -6.997 -1.476 18.456) 19.793 2.038 ( 1.052 -4.545 1.466) 4.891 2.098 ( 1.363 -3.311 -1.660) 3.947 2.159 ( -3.835 1.134 -10.035) 10.803 2.246 ( 2.484 1.296 3.896) 4.799 2.323 ( 0.289 0.236 -2.568) 2.595 2.471 ( -8.088 0.547 1.260) 8.204 2.531 ( -10.169 0.034 -4.020) 10.935 3.301 ( 3.201 1.016 9.429) 10.010 3.527 ( 3.542 1.619 -14.400) 14.918 3.792 ( -4.588 0.164 2.089) 5.044 3.839 ( -5.987 0.220 -3.260) 6.821 4.284 ( 4.206 0.749 1.737) 4.612 4.330 ( 2.941 0.928 -3.662) 4.788 4.562 ( -9.166 -0.486 2.171) 9.432 4.611 ( -9.185 -1.068 -3.313) 9.822 4.679 ( -2.990 0.096 1.002) 3.155 4.700 ( -3.429 0.137 -1.304) 3.671 4.966 ( -0.265 0.227 0.806) 0.878 4.980 ( -0.522 0.359 -0.585) 0.862 5.323 ( 2.989 0.028 0.543) 3.038 5.349 ( 2.459 -0.093 -2.140) 3.261 6.144 ( -0.101 -3.765 9.722) 10.426 6.178 ( 3.800 -2.701 6.689) 8.153 6.345 ( 4.999 -4.859 -0.110) 6.972 6.448 ( 2.157 0.914 -11.932) 12.160 7.131 ( 2.629 0.356 3.627) 4.494 7.173 ( 4.431 -0.508 -0.643) 4.506 ======================= Grid point 375 (117/147) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -0.000 8.129 10.744) 13.473 0.664 ( -0.000 3.187 -9.246) 9.780 0.777 ( -0.000 3.608 17.737) 18.101 1.071 ( -0.000 2.242 -13.676) 13.859 1.219 ( -0.000 1.644 8.581) 8.737 1.318 ( 0.000 -0.184 -3.448) 3.453 1.678 ( 0.000 -1.942 0.597) 2.032 1.694 ( 0.000 -1.530 -1.101) 1.885 1.759 ( 0.000 -0.163 21.945) 21.946 2.073 ( 0.000 -4.019 1.958) 4.471 2.118 ( 0.000 -0.815 -9.802) 9.836 2.147 ( 0.000 -1.534 -6.155) 6.343 2.290 ( -0.000 0.225 4.710) 4.716 2.320 ( 0.000 -0.089 5.185) 5.186 2.390 ( -0.000 1.297 -5.294) 5.451 2.413 ( -0.000 0.166 -4.579) 4.582 3.337 ( -0.000 0.636 8.339) 8.363 3.564 ( -0.000 1.145 -15.842) 15.883 3.744 ( -0.000 0.053 1.549) 1.549 3.773 ( -0.000 0.058 -1.505) 1.506 4.385 ( -0.000 0.085 0.482) 0.489 4.393 ( -0.000 0.076 -0.355) 0.363 4.398 ( -0.000 0.088 4.084) 4.085 4.476 ( 0.000 -0.267 -4.182) 4.191 4.647 ( -0.000 0.052 0.878) 0.879 4.664 ( -0.000 0.043 -0.899) 0.900 4.965 ( -0.000 0.147 0.780) 0.793 4.975 ( -0.000 0.288 -0.348) 0.451 5.351 ( -0.000 0.050 0.383) 0.386 5.372 ( 0.000 -0.026 -1.759) 1.760 6.155 ( 0.000 -2.059 11.139) 11.327 6.235 ( 0.000 -3.568 5.413) 6.483 6.421 ( 0.000 -4.750 -3.168) 5.710 6.466 ( -0.000 0.642 -10.997) 11.016 7.155 ( -0.000 0.577 4.586) 4.622 7.222 ( 0.000 -0.420 -2.690) 2.722 ======================= Grid point 378 (118/147) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.602 -0.000 1.916) 2.008 1.100 ( -0.392 0.000 -2.255) 2.289 1.518 ( 15.773 -0.000 4.598) 16.429 1.604 ( 12.759 -0.000 -4.198) 13.432 1.779 ( 6.518 -0.000 1.085) 6.607 1.793 ( 7.632 -0.000 -0.372) 7.641 1.849 ( -5.291 0.000 0.655) 5.331 1.877 ( -1.264 0.000 -2.401) 2.713 1.970 ( 5.930 -0.000 1.719) 6.174 2.004 ( 2.496 -0.000 -2.339) 3.421 2.270 ( 1.436 -0.000 7.629) 7.763 2.336 ( -1.642 0.000 0.391) 1.688 2.710 ( 11.999 -0.000 4.386) 12.776 2.777 ( 9.001 -0.000 -3.830) 9.782 3.015 ( 1.728 -0.000 10.572) 10.712 3.194 ( 12.219 -0.000 -4.616) 13.062 3.365 ( 5.746 -0.000 1.728) 6.000 3.456 ( 1.432 -0.000 -9.595) 9.701 3.986 ( -2.387 0.000 5.431) 5.933 4.098 ( -2.100 0.000 -6.004) 6.361 4.221 ( 2.720 -0.000 3.187) 4.189 4.307 ( 4.647 -0.000 -5.519) 7.215 4.735 ( -2.327 0.000 0.290) 2.345 4.735 ( -1.114 0.000 0.421) 1.191 4.773 ( 0.555 -0.000 -0.262) 0.614 4.788 ( 0.533 -0.000 -2.140) 2.205 5.080 ( -0.042 0.000 3.496) 3.496 5.086 ( -0.401 0.000 1.070) 1.143 5.161 ( 1.126 -0.000 -3.459) 3.637 5.174 ( 1.027 -0.000 -3.090) 3.256 5.874 ( -5.110 0.000 11.141) 12.257 5.921 ( -6.135 0.000 13.617) 14.935 6.082 ( -4.399 0.000 -11.325) 12.149 6.137 ( -6.527 0.000 -9.444) 11.480 6.972 ( -1.857 0.000 6.160) 6.433 7.057 ( 0.042 -0.000 -2.998) 2.998 ======================= Grid point 379 (119/147) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.680 -0.067 1.439) 1.593 1.084 ( -1.120 -0.125 -1.586) 1.946 1.699 ( -2.484 1.166 0.403) 2.773 1.707 ( -3.067 1.286 -0.406) 3.351 1.800 ( 9.523 4.597 4.850) 11.634 1.881 ( 8.189 5.487 -3.037) 10.314 1.935 ( 4.584 -4.438 0.532) 6.403 1.954 ( 4.717 -5.528 -1.745) 7.473 2.061 ( 4.086 -0.633 0.894) 4.230 2.088 ( 6.205 -0.661 -2.048) 6.568 2.281 ( -3.752 -0.221 3.187) 4.927 2.293 ( 1.388 -0.062 3.308) 3.588 2.805 ( -0.900 -0.154 4.368) 4.462 2.905 ( 4.743 -0.173 -5.692) 7.411 3.095 ( 5.770 0.052 14.212) 15.339 3.369 ( 5.973 0.163 -11.608) 13.055 3.440 ( 2.402 -0.090 1.968) 3.106 3.482 ( 1.343 -0.025 -4.650) 4.840 3.904 ( -5.330 0.039 4.613) 7.049 4.001 ( -6.763 0.005 -5.548) 8.747 4.311 ( 6.026 0.076 5.480) 8.145 4.424 ( 6.986 0.065 -6.673) 9.661 4.707 ( -0.513 -0.001 1.007) 1.130 4.726 ( 0.184 0.028 -0.767) 0.789 4.803 ( 2.430 0.107 -0.134) 2.436 4.813 ( 1.823 0.050 -1.437) 2.322 5.076 ( -0.715 0.075 1.249) 1.441 5.087 ( 0.775 0.033 1.641) 1.815 5.169 ( -0.479 -0.001 -2.983) 3.021 5.171 ( -1.313 -0.067 -1.785) 2.217 5.787 ( -4.079 -0.043 10.797) 11.542 5.824 ( -4.056 0.025 14.000) 14.575 6.005 ( -3.565 0.223 -12.412) 12.915 6.032 ( -4.540 -0.040 -8.098) 9.284 6.942 ( -1.325 0.280 7.452) 7.574 7.055 ( -0.249 0.283 -4.685) 4.700 ======================= Grid point 380 (120/147) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.204 -0.139 0.890) 0.923 1.066 ( -0.706 -0.096 -0.902) 1.149 1.609 ( -4.187 2.195 1.880) 5.088 1.635 ( -3.123 0.727 -0.934) 3.340 1.882 ( -2.041 0.667 3.092) 3.764 1.932 ( -2.519 -0.720 -1.886) 3.228 2.022 ( 5.857 0.392 1.472) 6.052 2.056 ( 4.378 0.331 -1.630) 4.684 2.161 ( 3.906 -1.148 4.046) 5.739 2.204 ( 5.183 -1.271 -1.136) 5.455 2.234 ( 0.006 -0.394 3.136) 3.160 2.333 ( 2.159 -0.032 -6.118) 6.488 2.763 ( -2.046 -0.039 13.191) 13.349 2.964 ( 1.588 -0.100 -7.908) 8.067 3.164 ( 1.237 0.046 10.043) 10.119 3.409 ( -0.614 0.411 -14.734) 14.752 3.475 ( 1.373 -0.250 2.779) 3.110 3.516 ( 1.781 -0.082 -1.523) 2.345 3.822 ( -2.687 0.047 3.645) 4.528 3.898 ( -3.211 -0.003 -4.296) 5.364 4.404 ( 2.921 0.101 6.050) 6.719 4.527 ( 3.046 0.074 -7.020) 7.653 4.709 ( 0.366 0.010 0.630) 0.728 4.733 ( 0.301 0.027 -1.613) 1.641 4.840 ( 0.814 0.078 0.006) 0.818 4.846 ( 1.504 0.069 -0.550) 1.603 5.061 ( -0.645 0.049 3.174) 3.239 5.104 ( 0.788 0.009 1.483) 1.680 5.141 ( -1.242 -0.058 -1.395) 1.869 5.152 ( -0.901 -0.031 -5.162) 5.240 5.731 ( -1.534 -0.068 10.562) 10.673 5.772 ( -1.471 0.028 14.034) 14.111 5.954 ( -1.578 0.119 -12.854) 12.951 5.972 ( -1.812 0.020 -7.175) 7.401 6.919 ( -0.950 0.186 7.982) 8.040 7.045 ( -0.636 0.195 -5.516) 5.556 ======================= Grid point 381 (121/147) ======================= q-point: (-0.62 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.457 0.287 0.620) 0.821 1.070 ( 1.601 0.012 -0.426) 1.656 1.545 ( -1.787 0.320 3.261) 3.732 1.590 ( -1.519 -0.789 -1.613) 2.352 1.768 ( -9.331 -3.000 3.033) 10.260 1.832 ( -8.094 -2.872 -3.436) 9.250 2.105 ( 2.326 1.749 1.507) 3.277 2.118 ( 2.734 1.792 0.265) 3.279 2.203 ( 1.828 0.538 4.322) 4.724 2.260 ( -0.155 0.832 -1.005) 1.313 2.268 ( 1.538 0.729 1.208) 2.087 2.334 ( -1.980 0.014 -5.259) 5.619 2.765 ( 2.392 0.023 13.384) 13.596 2.970 ( -0.907 0.095 -7.780) 7.833 3.154 ( -2.004 -0.330 9.076) 9.300 3.386 ( -1.290 -0.376 -14.434) 14.496 3.486 ( -0.409 0.186 2.663) 2.700 3.526 ( -0.964 0.230 -1.561) 1.849 3.818 ( 2.320 -0.088 3.670) 4.343 3.898 ( 3.141 -0.010 -4.697) 5.651 4.398 ( -3.531 -0.130 6.035) 6.994 4.521 ( -3.550 -0.112 -7.167) 7.999 4.708 ( -0.437 -0.033 0.578) 0.725 4.731 ( -0.468 -0.033 -1.620) 1.687 4.836 ( -1.287 -0.075 0.078) 1.292 4.841 ( -2.019 -0.120 -0.396) 2.061 5.057 ( 0.249 -0.098 2.989) 3.001 5.102 ( -0.990 -0.043 0.872) 1.320 5.147 ( 1.720 0.173 -1.543) 2.317 5.153 ( 1.005 -0.020 -4.278) 4.395 5.737 ( 2.048 0.140 10.191) 10.395 5.768 ( 1.128 -0.105 13.899) 13.945 5.949 ( 1.038 -0.021 -12.134) 12.178 5.968 ( 1.467 -0.131 -7.385) 7.530 6.906 ( -0.420 -0.258 7.813) 7.828 7.031 ( -0.824 -0.280 -5.561) 5.629 ======================= Grid point 382 (122/147) ======================= q-point: (-0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.330 0.420 2.014) 2.083 1.103 ( 1.615 0.595 -1.719) 2.432 1.525 ( -4.095 -4.249 5.898) 8.343 1.581 ( -1.607 -3.183 0.051) 3.566 1.608 ( -5.412 -2.398 -0.030) 5.919 1.674 ( -10.154 -3.673 -5.965) 12.336 2.102 ( -1.884 1.152 1.139) 2.484 2.120 ( -2.575 1.592 -0.482) 3.065 2.169 ( -6.099 3.069 1.409) 6.971 2.183 ( -3.284 3.444 -0.239) 4.765 2.297 ( -0.954 0.277 3.061) 3.219 2.307 ( 1.762 0.265 1.611) 2.403 2.822 ( 2.454 0.392 5.053) 5.631 2.928 ( -3.525 0.605 -5.435) 6.506 3.089 ( -5.147 -0.113 12.024) 13.080 3.347 ( -4.548 -0.598 -12.673) 13.478 3.453 ( -2.937 0.413 1.674) 3.406 3.485 ( -2.576 0.053 -3.164) 4.080 3.899 ( 5.565 -0.156 4.611) 7.229 4.000 ( 6.847 -0.061 -6.017) 9.115 4.301 ( -5.715 -0.241 5.425) 7.883 4.416 ( -6.803 -0.211 -6.823) 9.637 4.707 ( 0.621 -0.017 0.858) 1.059 4.722 ( -0.244 -0.095 -0.607) 0.661 4.791 ( -2.566 -0.267 0.034) 2.580 4.803 ( -1.934 -0.312 -1.467) 2.447 5.066 ( 0.435 -0.266 1.109) 1.221 5.082 ( -0.947 -0.157 0.974) 1.368 5.170 ( 0.412 0.038 -2.260) 2.298 5.180 ( 1.245 0.229 -1.884) 2.270 5.793 ( 3.645 0.219 10.016) 10.661 5.818 ( 4.017 -0.291 13.730) 14.309 5.985 ( 2.485 -0.322 -10.324) 10.623 6.030 ( 4.995 -0.194 -8.691) 10.026 6.907 ( 0.235 -0.893 6.971) 7.032 7.017 ( -0.935 -1.007 -4.810) 5.003 ======================= Grid point 383 (123/147) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -1.049 0.007 2.641) 2.842 1.112 ( -0.700 0.298 -2.620) 2.729 1.355 ( -12.107 -3.729 6.881) 14.417 1.486 ( -10.576 -2.917 -6.671) 12.840 1.603 ( 1.101 -5.580 0.588) 5.718 1.624 ( 0.700 -4.928 -1.605) 5.230 1.962 ( -10.239 2.888 3.040) 11.064 2.003 ( -6.904 3.627 -1.844) 8.014 2.097 ( -2.193 2.215 0.732) 3.202 2.098 ( -3.782 3.496 0.721) 5.201 2.263 ( -2.161 -0.469 6.301) 6.678 2.330 ( -0.134 -0.644 -0.707) 0.965 2.769 ( -9.535 1.960 2.803) 10.130 2.820 ( -7.801 1.486 -3.336) 8.614 3.009 ( -1.913 -0.153 10.471) 10.645 3.185 ( -12.371 -0.301 -4.612) 13.206 3.367 ( -6.133 0.025 1.536) 6.322 3.455 ( -0.649 -0.035 -9.566) 9.588 3.990 ( 3.072 0.139 5.523) 6.322 4.103 ( 2.618 0.178 -5.863) 6.423 4.226 ( -1.581 0.174 2.680) 3.116 4.307 ( -4.015 0.023 -5.362) 6.699 4.729 ( 0.991 -0.181 0.812) 1.294 4.738 ( 2.347 0.029 0.198) 2.356 4.764 ( -0.284 -0.268 -0.377) 0.543 4.782 ( -0.248 -0.246 -2.244) 2.272 5.069 ( -0.113 -0.158 2.179) 2.188 5.080 ( 0.742 -0.413 1.476) 1.703 5.158 ( -1.590 0.031 -2.651) 3.091 5.181 ( -0.977 0.093 -3.167) 3.316 5.865 ( 4.040 -0.224 9.799) 10.602 5.918 ( 6.259 -0.496 13.267) 14.678 6.036 ( 2.364 -1.187 -7.402) 7.861 6.149 ( 7.429 0.246 -10.186) 12.610 6.926 ( 1.339 -1.425 5.430) 5.771 7.008 ( -0.635 -1.699 -3.187) 3.667 ======================= Grid point 384 (124/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -6.189 -1.323 2.260) 6.721 1.046 ( -7.413 -0.260 -1.255) 7.523 1.181 ( -5.484 -0.225 5.979) 8.116 1.314 ( -8.126 -0.056 -7.361) 10.964 1.646 ( -0.765 -7.400 1.135) 7.525 1.658 ( -0.284 -5.455 -0.295) 5.470 1.751 ( -9.811 4.643 4.640) 11.804 1.842 ( -7.553 3.414 -5.104) 9.735 2.000 ( -5.006 1.181 3.905) 6.458 2.045 ( -2.840 0.533 -1.324) 3.178 2.222 ( -2.506 -0.664 7.486) 7.922 2.317 ( -1.276 -1.018 -1.894) 2.500 2.497 ( -15.710 3.183 6.985) 17.485 2.612 ( -13.209 1.903 -5.026) 14.261 2.927 ( -14.174 -0.338 2.019) 14.321 2.953 ( -6.960 -0.278 -1.122) 7.056 3.263 ( -3.049 0.255 7.241) 7.861 3.457 ( 1.093 0.751 -12.739) 12.808 3.990 ( -2.796 0.507 4.975) 5.730 4.084 ( -3.688 0.580 -4.420) 5.786 4.225 ( 0.865 0.957 0.433) 1.361 4.275 ( 0.434 0.557 -4.274) 4.332 4.742 ( -0.028 -0.232 1.629) 1.645 4.764 ( 0.221 -0.136 0.107) 0.280 4.778 ( -0.482 -0.062 -1.799) 1.863 4.782 ( -0.043 -0.021 -2.125) 2.126 5.053 ( -2.641 0.105 3.842) 4.663 5.083 ( -2.663 0.045 1.990) 3.325 5.152 ( 3.104 -0.270 -3.437) 4.639 5.181 ( 2.888 -0.351 -4.601) 5.444 5.948 ( 4.462 -1.124 9.043) 10.146 6.048 ( 6.833 -1.376 10.525) 12.624 6.080 ( 1.278 -2.337 -1.390) 3.004 6.290 ( 7.342 0.819 -11.721) 13.855 6.976 ( 3.346 -1.457 3.429) 5.007 7.018 ( 1.069 -1.807 -0.820) 2.254 ======================= Grid point 385 (125/147) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -10.137 1.676 4.645) 11.276 0.891 ( -8.063 1.263 -0.927) 8.214 1.119 ( -3.508 1.333 1.730) 4.133 1.186 ( -4.124 3.428 -3.984) 6.681 1.522 ( -10.047 3.859 4.601) 11.705 1.587 ( -8.361 5.501 -1.804) 10.169 1.675 ( -1.601 -6.458 1.809) 6.896 1.748 ( -3.120 -6.681 -5.646) 9.287 1.907 ( -5.602 -2.925 10.575) 12.320 1.993 ( -2.580 -2.107 -1.178) 3.533 2.140 ( -8.026 -0.233 8.600) 11.766 2.259 ( -3.724 2.634 3.851) 5.970 2.313 ( -0.211 -0.141 -2.479) 2.492 2.347 ( -12.393 1.034 -8.470) 15.046 2.674 ( -12.381 0.165 3.624) 12.901 2.754 ( -12.721 -0.159 -4.616) 13.533 3.263 ( 2.309 1.000 10.199) 10.505 3.490 ( 2.981 1.683 -13.572) 13.997 3.901 ( -5.811 0.507 3.557) 6.833 3.975 ( -7.041 0.733 -4.680) 8.486 4.246 ( 2.037 1.320 1.663) 2.942 4.300 ( 2.276 1.185 -4.356) 5.056 4.700 ( -5.796 -0.525 0.858) 5.883 4.727 ( -4.425 -0.679 -1.390) 4.688 4.739 ( -2.921 -0.173 0.328) 2.945 4.765 ( -2.218 0.209 -1.894) 2.924 4.993 ( -2.451 0.322 1.508) 2.895 5.016 ( -3.070 0.272 -0.659) 3.152 5.242 ( 5.225 -0.218 0.087) 5.230 5.274 ( 5.115 -0.354 -3.074) 5.978 6.037 ( 3.246 -3.530 8.000) 9.327 6.106 ( 0.434 -4.127 2.552) 4.872 6.183 ( 6.527 -1.566 9.389) 11.541 6.400 ( 4.636 0.929 -12.567) 13.427 7.062 ( 4.677 -0.748 1.757) 5.052 7.072 ( 4.142 -0.838 1.202) 4.394 ======================= Grid point 386 (126/147) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -4.938 8.040 6.079) 11.224 0.754 ( -4.283 3.663 -1.972) 5.971 0.977 ( -8.414 6.725 7.006) 12.850 1.136 ( -0.967 3.454 -7.913) 8.688 1.336 ( -7.082 3.308 4.252) 8.898 1.391 ( -7.900 3.367 -1.286) 8.684 1.660 ( -2.433 -4.502 2.516) 5.703 1.709 ( -4.573 -4.940 -3.507) 7.591 1.804 ( -5.464 -1.597 19.413) 20.231 1.987 ( -0.236 -5.800 0.499) 5.826 2.061 ( -0.501 -4.087 -1.181) 4.284 2.169 ( -4.300 1.000 -10.254) 11.164 2.258 ( 1.979 1.241 3.909) 4.554 2.324 ( 0.453 -0.011 -1.500) 1.567 2.477 ( -7.758 0.608 0.602) 7.805 2.531 ( -10.062 0.041 -4.029) 10.839 3.313 ( 3.227 1.388 10.149) 10.740 3.545 ( 3.591 2.099 -14.343) 14.934 3.794 ( -4.704 0.218 2.125) 5.166 3.841 ( -6.183 0.301 -3.278) 7.005 4.293 ( 3.951 1.082 1.843) 4.492 4.341 ( 2.748 1.309 -3.744) 4.825 4.556 ( -8.970 -0.660 1.876) 9.188 4.599 ( -9.124 -1.444 -2.864) 9.671 4.680 ( -2.995 0.126 1.023) 3.167 4.702 ( -3.477 0.209 -1.353) 3.737 4.969 ( -0.253 0.383 0.826) 0.945 4.984 ( -0.447 0.491 -0.678) 0.949 5.323 ( 3.024 -0.043 0.601) 3.083 5.348 ( 2.486 -0.235 -1.956) 3.172 6.081 ( -0.941 -8.225 10.799) 13.607 6.156 ( 2.722 -2.210 4.664) 5.835 6.302 ( 4.478 -3.695 5.049) 7.694 6.456 ( 1.923 0.653 -11.887) 12.059 7.136 ( 3.231 0.777 2.744) 4.310 7.169 ( 4.690 -0.213 -0.427) 4.714 ======================= Grid point 387 (127/147) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -0.000 11.878 6.774) 13.674 0.706 ( -0.000 5.311 -7.021) 8.804 0.827 ( -0.000 6.511 16.453) 17.694 1.103 ( -0.000 4.209 -12.838) 13.511 1.243 ( -0.000 3.376 7.247) 7.994 1.316 ( -0.000 0.003 -1.869) 1.869 1.650 ( 0.000 -3.735 0.774) 3.814 1.672 ( 0.000 -2.979 -1.587) 3.375 1.757 ( 0.000 -0.284 21.925) 21.927 2.020 ( 0.000 -6.538 1.326) 6.672 2.090 ( 0.000 -4.554 -4.448) 6.366 2.140 ( -0.000 0.073 -12.787) 12.787 2.294 ( -0.000 0.448 5.604) 5.622 2.319 ( 0.000 -0.153 5.410) 5.412 2.404 ( -0.000 1.365 -5.582) 5.747 2.415 ( -0.000 0.279 -4.731) 4.739 3.345 ( -0.000 1.122 9.142) 9.211 3.579 ( -0.000 1.860 -15.671) 15.781 3.744 ( -0.000 0.093 1.547) 1.550 3.774 ( -0.000 0.103 -1.515) 1.519 4.386 ( -0.000 0.151 0.479) 0.502 4.394 ( -0.000 0.134 -0.345) 0.370 4.399 ( -0.000 0.181 3.841) 3.846 4.473 ( 0.000 -0.311 -4.009) 4.021 4.647 ( -0.000 0.092 0.868) 0.873 4.664 ( -0.000 0.076 -0.896) 0.899 4.967 ( -0.000 0.321 0.809) 0.870 4.979 ( -0.000 0.498 -0.473) 0.687 5.352 ( -0.000 0.031 0.430) 0.431 5.371 ( 0.000 -0.114 -1.613) 1.617 6.110 ( 0.000 -7.557 12.226) 14.373 6.199 ( 0.000 -3.118 4.957) 5.856 6.370 ( 0.000 -5.214 1.892) 5.547 6.471 ( -0.000 0.452 -11.296) 11.305 7.163 ( -0.000 1.178 3.651) 3.837 7.219 ( 0.000 -0.175 -2.121) 2.128 ======================= Grid point 392 (128/147) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.257 -0.000 0.891) 0.927 1.065 ( -0.686 0.000 -0.917) 1.146 1.621 ( -4.554 0.000 1.427) 4.772 1.638 ( -3.486 0.000 -0.449) 3.515 1.885 ( -4.188 0.000 2.773) 5.022 1.926 ( -3.440 0.000 -1.353) 3.696 2.026 ( 7.353 -0.000 1.276) 7.463 2.059 ( 5.568 -0.000 -1.734) 5.832 2.155 ( 4.313 -0.000 3.988) 5.874 2.197 ( 5.509 -0.000 -1.156) 5.629 2.232 ( 0.087 -0.000 3.296) 3.297 2.333 ( 2.164 -0.000 -6.169) 6.537 2.763 ( -2.018 0.000 13.171) 13.325 2.963 ( 1.632 -0.000 -7.923) 8.089 3.164 ( 1.163 -0.000 10.131) 10.198 3.411 ( -0.760 0.000 -15.046) 15.065 3.473 ( 1.437 -0.000 3.077) 3.396 3.516 ( 1.870 -0.000 -1.531) 2.417 3.822 ( -2.714 0.000 3.644) 4.544 3.898 ( -3.215 0.000 -4.269) 5.344 4.405 ( 2.878 -0.000 6.050) 6.700 4.527 ( 3.010 -0.000 -7.007) 7.626 4.709 ( 0.361 -0.000 0.634) 0.729 4.733 ( 0.289 -0.000 -1.617) 1.642 4.841 ( 0.768 -0.000 -0.005) 0.768 4.846 ( 1.484 -0.000 -0.554) 1.584 5.061 ( -0.674 0.000 3.188) 3.258 5.104 ( 0.773 -0.000 1.519) 1.704 5.141 ( -1.194 0.000 -1.363) 1.812 5.152 ( -0.907 0.000 -5.239) 5.317 5.731 ( -1.498 0.000 10.580) 10.686 5.772 ( -1.492 0.000 14.040) 14.119 5.954 ( -1.628 0.000 -12.981) 13.083 5.972 ( -1.824 0.000 -7.072) 7.303 6.920 ( -1.048 0.000 7.992) 8.060 7.046 ( -0.737 0.000 -5.512) 5.561 ======================= Grid point 393 (129/147) ======================= q-point: (-0.69 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.405 0.119 0.514) 0.665 1.070 ( 1.938 -0.016 -0.294) 1.960 1.550 ( -2.775 0.505 2.956) 4.086 1.583 ( -2.272 -0.498 -0.801) 2.460 1.748 ( -9.452 -1.118 2.696) 9.892 1.812 ( -8.286 -1.104 -3.740) 9.157 2.117 ( 1.821 0.643 1.805) 2.643 2.129 ( 2.386 0.586 0.557) 2.519 2.206 ( 2.753 0.205 3.987) 4.850 2.265 ( 0.538 0.275 -1.329) 1.460 2.273 ( 2.036 0.278 1.309) 2.436 2.334 ( -1.938 0.003 -5.095) 5.451 2.765 ( 2.430 0.007 13.397) 13.616 2.970 ( -0.806 0.032 -7.777) 7.819 3.152 ( -2.071 -0.133 8.992) 9.229 3.384 ( -1.566 -0.132 -14.656) 14.740 3.487 ( -0.227 0.069 2.860) 2.870 3.527 ( -0.920 0.084 -1.545) 1.800 3.817 ( 2.272 -0.033 3.676) 4.322 3.898 ( 3.128 -0.004 -4.754) 5.691 4.397 ( -3.613 -0.046 6.031) 7.031 4.521 ( -3.615 -0.041 -7.182) 8.041 4.707 ( -0.447 -0.013 0.573) 0.727 4.731 ( -0.489 -0.011 -1.630) 1.702 4.835 ( -1.322 -0.025 0.076) 1.324 4.840 ( -2.128 -0.045 -0.361) 2.159 5.056 ( 0.199 -0.037 2.966) 2.973 5.102 ( -1.017 -0.017 0.779) 1.281 5.148 ( 1.788 0.077 -1.399) 2.272 5.153 ( 1.015 -0.021 -4.314) 4.432 5.738 ( 2.128 0.054 10.113) 10.335 5.768 ( 1.065 -0.043 13.883) 13.923 5.949 ( 0.993 0.002 -12.167) 12.208 5.967 ( 1.395 -0.054 -7.255) 7.388 6.904 ( -0.602 -0.093 7.787) 7.810 7.029 ( -1.026 -0.101 -5.566) 5.660 ======================= Grid point 394 (130/147) ======================= q-point: (-0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.307 0.263 2.144) 2.182 1.108 ( 1.697 0.368 -1.734) 2.454 1.492 ( -6.148 -2.277 6.721) 9.389 1.557 ( -1.636 -1.796 0.394) 2.461 1.591 ( -4.919 -1.115 -0.787) 5.105 1.645 ( -9.893 -2.057 -6.480) 12.003 2.110 ( -1.886 0.541 1.304) 2.355 2.131 ( -3.227 0.692 -0.698) 3.373 2.192 ( -5.341 1.597 2.425) 6.079 2.211 ( -2.436 2.126 -0.366) 3.254 2.300 ( -1.321 0.295 2.602) 2.933 2.308 ( 1.345 -0.148 1.450) 1.983 2.825 ( 2.723 0.203 5.227) 5.897 2.932 ( -3.260 0.342 -5.404) 6.320 3.088 ( -4.886 -0.053 11.552) 12.543 3.342 ( -4.282 -0.341 -12.851) 13.550 3.457 ( -3.078 0.252 1.569) 3.464 3.485 ( -2.790 0.018 -2.858) 3.994 3.898 ( 5.608 -0.091 4.606) 7.258 3.999 ( 6.859 -0.039 -6.110) 9.186 4.299 ( -5.651 -0.133 5.414) 7.827 4.414 ( -6.761 -0.117 -6.851) 9.626 4.706 ( 0.651 -0.011 0.828) 1.053 4.721 ( -0.270 -0.053 -0.581) 0.643 4.789 ( -2.589 -0.137 0.025) 2.593 4.801 ( -1.970 -0.196 -1.435) 2.445 5.064 ( 0.394 -0.153 1.087) 1.167 5.081 ( -0.991 -0.092 0.844) 1.304 5.170 ( 0.403 0.024 -2.112) 2.150 5.182 ( 1.223 0.130 -1.908) 2.271 5.795 ( 3.583 0.166 9.716) 10.357 5.815 ( 3.919 -0.227 13.672) 14.224 5.983 ( 2.316 -0.135 -9.977) 10.243 6.028 ( 5.077 -0.137 -8.566) 9.959 6.900 ( 0.039 -0.495 6.833) 6.851 7.009 ( -1.190 -0.573 -4.819) 4.997 ======================= Grid point 395 (131/147) ======================= q-point: (-0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -1.549 -0.075 2.807) 3.207 1.114 ( -1.196 0.148 -2.709) 2.965 1.326 ( -10.258 -2.092 7.357) 12.796 1.462 ( -9.413 -1.957 -6.353) 11.523 1.558 ( -0.280 -3.436 0.126) 3.449 1.582 ( 0.071 -3.573 -1.936) 4.064 1.983 ( -9.665 1.484 3.731) 10.466 2.032 ( -5.902 2.244 -2.125) 6.662 2.116 ( -3.196 1.683 1.870) 4.068 2.129 ( -4.494 2.775 0.050) 5.282 2.258 ( -2.505 -0.471 5.730) 6.272 2.323 ( -0.515 -0.806 -0.789) 1.240 2.786 ( -8.786 1.349 2.371) 9.200 2.833 ( -7.462 1.059 -3.234) 8.201 3.008 ( -2.088 -0.061 10.435) 10.642 3.183 ( -12.439 -0.213 -4.569) 13.254 3.367 ( -6.233 0.005 1.489) 6.408 3.455 ( -0.429 -0.023 -9.578) 9.587 3.991 ( 3.263 0.090 5.548) 6.437 4.105 ( 2.775 0.121 -5.827) 6.455 4.228 ( -1.242 0.127 2.520) 2.812 4.307 ( -3.840 0.018 -5.316) 6.558 4.728 ( 0.861 -0.136 0.928) 1.274 4.738 ( 2.423 0.007 0.168) 2.428 4.762 ( -0.216 -0.162 -0.445) 0.521 4.780 ( -0.122 -0.198 -2.263) 2.275 5.069 ( 0.066 0.001 1.885) 1.886 5.076 ( 0.616 -0.402 1.630) 1.788 5.159 ( -1.535 0.047 -2.570) 2.994 5.182 ( -1.170 0.030 -3.130) 3.342 5.864 ( 3.774 -0.083 9.207) 9.951 5.912 ( 5.953 -0.605 12.679) 14.020 6.027 ( 2.000 -0.674 -5.763) 6.137 6.151 ( 7.689 0.148 -10.149) 12.733 6.914 ( 1.287 -0.947 5.083) 5.328 6.993 ( -0.811 -1.225 -3.170) 3.494 ======================= Grid point 396 (132/147) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -6.479 -1.173 2.579) 7.072 1.044 ( -6.521 -0.170 -2.383) 6.945 1.186 ( -3.976 1.205 6.609) 7.806 1.317 ( -6.087 0.596 -6.876) 9.202 1.573 ( -1.201 -6.985 1.617) 7.270 1.605 ( -0.227 -5.294 -1.584) 5.531 1.790 ( -9.266 3.329 5.898) 11.477 1.881 ( -8.199 4.005 -4.358) 10.113 2.012 ( -6.488 1.252 2.589) 7.097 2.046 ( -4.107 -0.087 -1.141) 4.264 2.215 ( -2.515 -0.779 7.338) 7.796 2.307 ( -1.132 -0.933 -1.817) 2.336 2.525 ( -15.615 2.400 6.264) 16.995 2.629 ( -13.385 1.534 -4.741) 14.283 2.924 ( -14.040 -0.264 1.983) 14.182 2.950 ( -6.943 -0.283 -1.165) 7.046 3.265 ( -2.728 0.226 7.533) 8.015 3.464 ( 1.529 0.602 -12.858) 12.962 3.995 ( -2.712 0.396 5.049) 5.745 4.090 ( -3.495 0.470 -4.371) 5.616 4.234 ( 1.146 0.817 0.143) 1.415 4.280 ( 0.733 0.454 -4.090) 4.180 4.740 ( 0.052 -0.176 1.731) 1.740 4.763 ( 0.128 -0.110 0.135) 0.216 4.778 ( -0.842 -0.039 -1.687) 1.886 4.781 ( 0.299 -0.051 -2.350) 2.370 5.055 ( -2.547 0.301 3.946) 4.706 5.083 ( -2.211 -0.149 2.215) 3.133 5.151 ( 2.782 0.068 -3.708) 4.636 5.176 ( 2.743 -0.667 -4.583) 5.382 5.939 ( 3.986 -0.724 7.998) 8.966 6.021 ( 3.041 -3.359 3.173) 5.532 6.072 ( 3.826 0.021 8.300) 9.140 6.297 ( 7.492 0.617 -11.826) 14.013 6.964 ( 3.634 -0.979 2.890) 4.745 7.002 ( 1.329 -1.510 -0.774) 2.155 ======================= Grid point 397 (133/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -6.859 2.359 3.128) 7.899 0.904 ( -7.149 1.349 -1.766) 7.486 1.138 ( -1.624 2.599 3.976) 5.020 1.222 ( -3.018 3.888 -3.867) 6.259 1.538 ( -7.932 -2.382 6.601) 10.590 1.615 ( -1.364 -5.037 -0.148) 5.221 1.633 ( -5.533 3.267 -0.462) 6.442 1.700 ( -7.980 -1.378 -6.284) 10.251 1.887 ( -6.384 -1.174 9.012) 11.106 1.970 ( -4.383 -2.606 -1.908) 5.444 2.134 ( -8.370 -0.971 9.296) 12.546 2.282 ( -4.143 1.973 3.298) 5.651 2.308 ( -0.726 -0.632 -3.161) 3.304 2.359 ( -12.786 1.187 -6.732) 14.499 2.676 ( -12.130 0.175 3.288) 12.569 2.752 ( -12.616 -0.168 -4.577) 13.422 3.272 ( 2.658 0.915 10.759) 11.121 3.506 ( 3.360 1.489 -13.636) 14.123 3.905 ( -5.914 0.449 3.651) 6.964 3.982 ( -7.147 0.670 -4.807) 8.639 4.259 ( 2.131 1.268 1.640) 2.973 4.311 ( 2.559 1.095 -4.182) 5.024 4.695 ( -6.139 -0.486 0.766) 6.206 4.720 ( -5.131 -0.700 -1.759) 5.469 4.737 ( -2.553 -0.103 0.989) 2.739 4.767 ( -2.141 0.234 -2.065) 2.984 4.997 ( -2.353 0.346 1.470) 2.796 5.018 ( -2.961 0.285 -0.642) 3.043 5.240 ( 5.285 -0.279 0.141) 5.294 5.270 ( 5.124 -0.506 -2.879) 5.899 5.999 ( 0.018 -4.039 7.938) 8.906 6.062 ( 1.808 -4.305 1.630) 4.946 6.177 ( 5.986 -0.037 12.570) 13.923 6.408 ( 4.477 0.692 -12.568) 13.359 7.057 ( 5.495 -0.341 1.323) 5.662 7.064 ( 4.721 -0.622 1.029) 4.872 ======================= Grid point 398 (134/147) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -1.770 8.320 3.087) 9.049 0.791 ( -2.809 3.800 -0.996) 4.830 1.043 ( -6.494 6.819 6.707) 11.561 1.176 ( -0.018 4.792 -5.568) 7.346 1.369 ( -6.670 3.194 4.560) 8.688 1.434 ( -9.718 5.311 -1.123) 11.132 1.609 ( -2.286 -5.749 1.098) 6.284 1.654 ( -3.182 -6.203 -3.711) 7.897 1.789 ( -4.406 -1.471 18.320) 18.900 1.928 ( -2.030 -6.216 0.138) 6.541 2.019 ( -2.715 -4.337 -0.221) 5.122 2.178 ( -4.706 0.749 -11.091) 12.071 2.270 ( 1.638 1.054 4.019) 4.466 2.323 ( 0.511 -0.279 -0.344) 0.676 2.482 ( -7.576 0.483 0.074) 7.592 2.531 ( -9.947 0.034 -4.041) 10.736 3.326 ( 3.259 1.399 10.931) 11.492 3.566 ( 3.607 2.021 -14.246) 14.834 3.796 ( -4.837 0.216 2.174) 5.308 3.844 ( -6.412 0.302 -3.292) 7.214 4.305 ( 3.656 1.186 1.962) 4.315 4.354 ( 2.539 1.393 -3.822) 4.795 4.549 ( -8.742 -0.681 1.543) 8.903 4.584 ( -8.983 -1.477 -2.337) 9.398 4.681 ( -2.988 0.136 1.069) 3.177 4.704 ( -3.548 0.244 -1.419) 3.829 4.973 ( -0.222 0.472 0.831) 0.981 4.989 ( -0.357 0.514 -0.753) 0.979 5.323 ( 3.071 -0.148 0.687) 3.150 5.345 ( 2.521 -0.398 -1.710) 3.072 5.997 ( -2.308 -8.560 13.585) 16.222 6.130 ( 2.555 -3.120 0.821) 4.115 6.276 ( 3.865 -1.656 9.227) 10.140 6.461 ( 1.773 0.497 -11.453) 11.600 7.145 ( 3.881 1.078 1.884) 4.446 7.169 ( 5.066 0.191 -0.227) 5.075 ======================= Grid point 399 (135/147) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -0.000 11.400 3.266) 11.859 0.763 ( -0.000 6.128 -4.649) 7.692 0.901 ( -0.000 8.317 14.873) 17.041 1.151 ( -0.000 5.690 -11.605) 12.925 1.284 ( -0.000 5.079 5.336) 7.367 1.321 ( -0.000 1.109 0.732) 1.329 1.606 ( 0.000 -5.229 1.017) 5.327 1.636 ( 0.000 -4.243 -2.354) 4.853 1.753 ( 0.000 -0.584 21.501) 21.509 1.949 ( 0.000 -7.967 1.223) 8.060 2.037 ( 0.000 -6.173 -4.403) 7.582 2.143 ( -0.000 0.385 -14.316) 14.322 2.299 ( -0.000 0.562 6.157) 6.183 2.317 ( 0.000 -0.178 5.711) 5.714 2.415 ( -0.000 0.770 -5.738) 5.789 2.418 ( -0.000 0.313 -4.935) 4.945 3.358 ( -0.000 1.312 10.163) 10.247 3.598 ( -0.000 1.979 -15.378) 15.504 3.745 ( -0.000 0.112 1.546) 1.550 3.775 ( -0.000 0.124 -1.529) 1.534 4.388 ( -0.000 0.182 0.474) 0.508 4.396 ( -0.000 0.161 -0.330) 0.367 4.401 ( -0.000 0.258 3.582) 3.592 4.470 ( 0.000 -0.109 -3.881) 3.882 4.648 ( -0.000 0.111 0.855) 0.862 4.665 ( -0.000 0.092 -0.891) 0.896 4.971 ( -0.000 0.468 0.835) 0.957 4.985 ( -0.000 0.598 -0.607) 0.852 5.352 ( 0.000 -0.050 0.505) 0.507 5.369 ( 0.000 -0.272 -1.382) 1.408 6.019 ( 0.000 -10.053 15.559) 18.524 6.171 ( 0.000 -2.999 1.560) 3.381 6.327 ( 0.000 -3.357 6.297) 7.136 6.475 ( -0.000 0.441 -10.734) 10.743 7.177 ( -0.000 1.601 2.645) 3.092 7.220 ( -0.000 0.355 -1.618) 1.657 ======================= Grid point 406 (136/147) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.304 -0.000 2.193) 2.214 1.110 ( 1.728 -0.000 -1.740) 2.452 1.481 ( -6.877 0.000 7.001) 9.813 1.548 ( -1.504 0.000 0.484) 1.580 1.585 ( -4.941 0.000 -0.957) 5.033 1.635 ( -9.745 0.000 -6.712) 11.833 2.112 ( -1.887 0.000 1.351) 2.321 2.134 ( -3.431 0.000 -0.750) 3.512 2.199 ( -4.984 0.000 2.849) 5.741 2.222 ( -2.193 0.000 -0.442) 2.237 2.302 ( -1.935 0.000 2.322) 3.023 2.306 ( 1.599 -0.000 1.462) 2.167 2.826 ( 2.815 -0.000 5.292) 5.994 2.934 ( -3.164 0.000 -5.395) 6.254 3.088 ( -4.778 0.000 11.380) 12.342 3.341 ( -4.188 0.000 -12.912) 13.575 3.458 ( -3.133 0.000 1.525) 3.484 3.485 ( -2.863 0.000 -2.746) 3.967 3.897 ( 5.624 -0.000 4.604) 7.268 3.999 ( 6.863 -0.000 -6.143) 9.210 4.299 ( -5.627 0.000 5.410) 7.806 4.414 ( -6.745 0.000 -6.861) 9.621 4.706 ( 0.663 -0.000 0.817) 1.052 4.721 ( -0.281 0.000 -0.572) 0.637 4.788 ( -2.596 0.000 0.018) 2.596 4.800 ( -1.985 0.000 -1.420) 2.440 5.064 ( 0.379 -0.000 1.081) 1.145 5.080 ( -1.006 0.000 0.797) 1.283 5.170 ( 0.399 -0.000 -2.058) 2.097 5.182 ( 1.215 -0.000 -1.917) 2.270 5.796 ( 3.569 -0.000 9.552) 10.197 5.814 ( 3.868 -0.000 13.693) 14.229 5.983 ( 2.257 -0.000 -9.849) 10.105 6.027 ( 5.110 -0.000 -8.508) 9.925 6.897 ( -0.029 0.000 6.780) 6.780 7.007 ( -1.283 0.000 -4.821) 4.989 ======================= Grid point 408 (137/147) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -1.941 -0.051 2.908) 3.497 1.115 ( -1.527 0.039 -2.764) 3.158 1.313 ( -8.906 -0.630 7.589) 11.718 1.449 ( -8.618 -0.745 -5.629) 10.321 1.537 ( -1.297 -1.009 -0.869) 1.859 1.557 ( -0.341 -1.415 -1.871) 2.370 1.992 ( -9.349 0.444 4.114) 10.224 2.046 ( -5.137 0.724 -2.400) 5.716 2.128 ( -4.095 0.696 2.622) 4.913 2.149 ( -4.716 1.081 -0.277) 4.846 2.255 ( -2.792 -0.199 5.251) 5.951 2.316 ( -0.635 -0.410 -0.742) 1.059 2.795 ( -8.348 0.476 2.137) 8.630 2.840 ( -7.268 0.384 -3.188) 7.945 3.007 ( -2.223 -0.010 10.410) 10.645 3.181 ( -12.485 -0.077 -4.535) 13.283 3.367 ( -6.286 -0.001 1.464) 6.455 3.455 ( -0.307 -0.008 -9.589) 9.594 3.992 ( 3.370 0.031 5.562) 6.503 4.106 ( 2.866 0.043 -5.809) 6.478 4.228 ( -1.049 0.047 2.428) 2.645 4.308 ( -3.743 0.007 -5.290) 6.481 4.727 ( 0.790 -0.051 0.992) 1.269 4.738 ( 2.460 -0.000 0.151) 2.465 4.761 ( -0.188 -0.052 -0.488) 0.525 4.779 ( -0.037 -0.077 -2.272) 2.273 5.069 ( 0.347 0.138 1.385) 1.434 5.072 ( 0.369 -0.282 2.075) 2.127 5.159 ( -1.478 0.021 -2.548) 2.946 5.182 ( -1.314 0.004 -3.102) 3.369 5.863 ( 3.638 -0.003 8.778) 9.502 5.907 ( 5.669 -0.286 12.290) 13.538 6.023 ( 1.873 -0.206 -4.694) 5.058 6.152 ( 7.840 0.049 -10.106) 12.790 6.908 ( 1.281 -0.327 4.856) 5.033 6.985 ( -0.914 -0.447 -3.141) 3.302 ======================= Grid point 409 (138/147) ======================= q-point: (-0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -6.075 -0.583 2.680) 6.666 1.042 ( -6.149 -0.195 -3.099) 6.889 1.201 ( -2.565 1.610 6.762) 7.409 1.323 ( -4.638 0.448 -5.853) 7.481 1.517 ( -2.363 -4.165 1.701) 5.082 1.560 ( -0.702 -3.446 -2.482) 4.304 1.814 ( -8.765 1.585 7.238) 11.477 1.914 ( -7.935 2.638 -4.235) 9.373 2.022 ( -6.977 0.540 1.365) 7.130 2.046 ( -5.568 0.060 -1.247) 5.707 2.208 ( -2.520 -0.591 7.501) 7.935 2.300 ( -0.953 -0.576 -1.745) 2.070 2.543 ( -15.667 1.277 5.844) 16.770 2.641 ( -13.550 0.853 -4.557) 14.321 2.922 ( -13.968 -0.139 1.938) 14.103 2.947 ( -6.895 -0.186 -1.178) 6.998 3.267 ( -2.500 0.133 7.727) 8.123 3.468 ( 1.825 0.332 -12.935) 13.067 3.998 ( -2.656 0.215 5.101) 5.755 4.093 ( -3.362 0.262 -4.343) 5.498 4.240 ( 1.351 0.473 -0.087) 1.434 4.284 ( 0.942 0.253 -3.954) 4.072 4.739 ( 0.118 -0.090 1.786) 1.792 4.762 ( 0.062 -0.061 0.153) 0.176 4.777 ( -1.143 -0.006 -1.576) 1.947 4.781 ( 0.593 -0.057 -2.523) 2.593 5.058 ( -2.647 0.328 4.143) 4.927 5.081 ( -1.572 -0.246 2.346) 2.835 5.154 ( 2.189 0.443 -4.011) 4.591 5.169 ( 2.822 -0.801 -4.539) 5.405 5.934 ( 3.843 -0.181 6.984) 7.974 5.992 ( 1.119 -2.296 2.934) 3.891 6.073 ( 4.691 0.158 10.434) 11.442 6.302 ( 7.582 0.332 -11.871) 14.090 6.957 ( 3.902 -0.448 2.410) 4.608 6.990 ( 1.521 -0.875 -0.646) 1.870 ======================= Grid point 410 (139/147) ======================= q-point: (-0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -4.331 1.948 1.589) 5.008 0.915 ( -6.268 0.938 -2.241) 6.723 1.172 ( -0.059 4.324 5.402) 6.919 1.259 ( -1.459 3.492 -3.029) 4.848 1.481 ( -5.008 -7.255 5.233) 10.252 1.565 ( -1.228 -5.505 -2.883) 6.334 1.659 ( -6.154 2.422 3.534) 7.498 1.722 ( -10.756 3.862 -4.103) 12.142 1.882 ( -6.958 0.148 5.385) 8.800 1.943 ( -5.937 -2.796 -2.280) 6.947 2.124 ( -8.905 -1.081 10.284) 13.646 2.293 ( -1.228 0.198 -0.713) 1.434 2.306 ( -4.523 0.466 0.296) 4.557 2.369 ( -12.831 0.771 -5.767) 14.089 2.677 ( -11.945 0.139 2.994) 12.316 2.750 ( -12.518 -0.134 -4.539) 13.316 3.280 ( 2.920 0.632 11.192) 11.584 3.518 ( 3.644 1.008 -13.678) 14.191 3.909 ( -5.994 0.302 3.728) 7.065 3.988 ( -7.238 0.463 -4.921) 8.765 4.269 ( 2.208 0.918 1.592) 2.872 4.321 ( 2.792 0.765 -4.027) 4.960 4.691 ( -6.400 -0.341 0.675) 6.444 4.714 ( -5.696 -0.531 -1.844) 6.010 4.737 ( -2.304 -0.046 1.347) 2.669 4.769 ( -2.062 0.185 -2.184) 3.010 5.000 ( -2.291 0.270 1.437) 2.718 5.021 ( -2.888 0.220 -0.621) 2.963 5.237 ( 5.299 -0.235 0.169) 5.307 5.265 ( 5.171 -0.476 -2.679) 5.843 5.962 ( -2.795 -3.344 8.557) 9.603 6.028 ( 3.296 -2.599 1.791) 4.564 6.178 ( 5.641 0.176 13.273) 14.423 6.413 ( 4.339 0.425 -12.497) 13.236 7.055 ( 6.067 -0.052 0.968) 6.144 7.060 ( 5.354 -0.369 0.955) 5.451 ======================= Grid point 411 (140/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -0.857 5.388 0.231) 5.461 0.828 ( -0.649 4.082 -0.465) 4.159 1.110 ( -4.623 6.979 7.606) 11.311 1.231 ( 0.749 6.330 -3.510) 7.277 1.389 ( -4.957 0.043 5.794) 7.625 1.487 ( -10.213 4.709 -2.377) 11.494 1.557 ( -2.713 -4.153 0.812) 5.027 1.595 ( -2.351 -5.197 -3.195) 6.538 1.775 ( -4.525 -1.544 14.267) 15.047 1.868 ( -3.652 -5.891 0.126) 6.932 1.978 ( -4.881 -3.996 1.910) 6.591 2.184 ( -4.893 0.476 -11.857) 12.836 2.279 ( 1.404 0.835 4.025) 4.344 2.319 ( 0.523 -0.385 0.719) 0.969 2.486 ( -7.556 0.310 -0.234) 7.566 2.532 ( -9.845 0.020 -4.059) 10.649 3.339 ( 3.279 1.092 11.596) 12.100 3.583 ( 3.579 1.534 -14.141) 14.667 3.798 ( -4.957 0.166 2.225) 5.436 3.847 ( -6.620 0.232 -3.295) 7.398 4.315 ( 3.389 1.018 2.067) 4.098 4.367 ( 2.362 1.161 -3.872) 4.682 4.543 ( -8.546 -0.563 1.249) 8.656 4.571 ( -8.753 -1.196 -1.850) 9.026 4.682 ( -2.982 0.119 1.123) 3.189 4.707 ( -3.628 0.221 -1.488) 3.928 4.978 ( -0.182 0.437 0.821) 0.948 4.993 ( -0.271 0.424 -0.797) 0.943 5.321 ( 3.121 -0.200 0.797) 3.227 5.341 ( 2.549 -0.458 -1.454) 2.970 5.922 ( -3.120 -6.473 15.847) 17.400 6.099 ( 2.403 -2.974 -2.064) 4.345 6.267 ( 3.454 -0.485 11.517) 12.033 6.466 ( 1.701 0.349 -10.967) 11.103 7.156 ( 4.421 1.037 1.243) 4.708 7.172 ( 5.437 0.379 -0.029) 5.450 ======================= Grid point 412 (141/147) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.000 7.354 1.567) 7.519 0.824 ( -0.000 6.442 -3.656) 7.408 0.985 ( -0.000 8.855 13.468) 16.118 1.212 ( -0.000 6.523 -10.149) 12.065 1.335 ( -0.000 4.319 3.270) 5.417 1.347 ( -0.000 5.396 4.075) 6.762 1.550 ( 0.000 -6.187 1.236) 6.309 1.590 ( 0.000 -5.171 -3.363) 6.169 1.743 ( 0.000 -1.752 19.643) 19.721 1.870 ( 0.000 -7.865 1.510) 8.009 1.974 ( 0.000 -6.584 -4.227) 7.823 2.147 ( -0.000 0.337 -14.748) 14.752 2.304 ( -0.000 0.577 6.263) 6.290 2.315 ( 0.000 -0.163 6.013) 6.015 2.419 ( -0.000 0.211 -5.612) 5.616 2.421 ( -0.000 0.274 -5.140) 5.147 3.370 ( -0.000 1.164 11.121) 11.181 3.616 ( -0.000 1.622 -15.024) 15.111 3.746 ( -0.000 0.106 1.544) 1.547 3.776 ( -0.000 0.117 -1.543) 1.547 4.390 ( -0.000 0.171 0.469) 0.500 4.397 ( -0.000 0.152 -0.314) 0.349 4.404 ( -0.000 0.280 3.405) 3.416 4.471 ( -0.000 0.143 -3.880) 3.883 4.649 ( -0.000 0.104 0.840) 0.847 4.666 ( -0.000 0.086 -0.886) 0.890 4.976 ( -0.000 0.510 0.852) 0.993 4.990 ( -0.000 0.569 -0.707) 0.908 5.351 ( 0.000 -0.125 0.605) 0.617 5.366 ( 0.000 -0.415 -1.099) 1.175 5.927 ( 0.000 -8.387 18.472) 20.287 6.139 ( 0.000 -3.459 -2.666) 4.367 6.305 ( 0.000 -1.381 9.814) 9.911 6.479 ( -0.000 0.383 -10.065) 10.073 7.193 ( -0.000 1.627 1.862) 2.473 7.225 ( -0.000 0.671 -1.207) 1.381 ======================= Grid point 421 (142/147) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -5.841 0.000 2.682) 6.428 1.041 ( -6.049 0.000 -3.291) 6.886 1.210 ( -1.824 0.000 6.672) 6.917 1.325 ( -4.139 0.000 -5.116) 6.581 1.496 ( -2.977 0.000 1.505) 3.336 1.543 ( -0.992 0.000 -2.808) 2.978 1.822 ( -8.583 0.000 7.775) 11.581 1.928 ( -7.713 0.000 -4.359) 8.859 2.024 ( -6.847 0.000 1.184) 6.949 2.047 ( -6.466 0.000 -1.576) 6.655 2.205 ( -2.513 0.000 7.661) 8.062 2.297 ( -0.867 0.000 -1.714) 1.921 2.549 ( -15.704 0.000 5.707) 16.709 2.646 ( -13.618 0.000 -4.494) 14.341 2.921 ( -13.950 0.000 1.916) 14.081 2.946 ( -6.867 0.000 -1.179) 6.967 3.267 ( -2.418 0.000 7.795) 8.162 3.470 ( 1.929 -0.000 -12.961) 13.104 3.999 ( -2.637 0.000 5.120) 5.759 4.095 ( -3.315 0.000 -4.334) 5.456 4.242 ( 1.427 -0.000 -0.176) 1.437 4.285 ( 1.017 -0.000 -3.903) 4.033 4.738 ( 0.144 -0.000 1.803) 1.808 4.762 ( 0.037 -0.000 0.159) 0.164 4.777 ( -1.312 0.000 -1.505) 1.997 4.780 ( 0.761 -0.000 -2.612) 2.721 5.060 ( -2.798 0.000 4.295) 5.126 5.079 ( -1.193 0.000 2.322) 2.611 5.158 ( 1.058 -0.000 -4.084) 4.219 5.163 ( 3.729 -0.000 -4.567) 5.896 5.934 ( 3.963 -0.000 6.474) 7.591 5.980 ( 0.398 -0.000 3.349) 3.373 6.074 ( 4.863 -0.000 10.842) 11.882 6.303 ( 7.611 -0.000 -11.883) 14.112 6.955 ( 4.016 -0.000 2.210) 4.584 6.985 ( 1.585 -0.000 -0.571) 1.685 ======================= Grid point 423 (143/147) ======================= q-point: (-0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -3.046 0.746 0.703) 3.214 0.921 ( -5.733 0.296 -2.314) 6.189 1.214 ( 2.139 3.448 5.241) 6.628 1.283 ( -0.366 0.966 -0.954) 1.406 1.422 ( -5.793 -3.737 4.481) 8.222 1.521 ( -1.981 -2.756 -4.743) 5.832 1.676 ( -6.602 1.008 6.536) 9.345 1.753 ( -10.190 1.870 -3.102) 10.814 1.888 ( -6.926 0.786 1.754) 7.187 1.919 ( -7.353 -1.861 -2.254) 7.913 2.115 ( -9.326 -0.489 11.172) 14.561 2.292 ( -0.130 -0.182 -3.349) 3.357 2.311 ( -5.993 0.382 2.745) 6.603 2.374 ( -12.924 0.259 -5.352) 13.991 2.678 ( -11.851 0.054 2.819) 12.181 2.749 ( -12.458 -0.052 -4.514) 13.250 3.284 ( 3.057 0.224 11.425) 11.830 3.525 ( 3.792 0.355 -13.698) 14.218 3.911 ( -6.037 0.105 3.770) 7.118 3.991 ( -7.292 0.165 -4.990) 8.837 4.276 ( 2.251 0.336 1.551) 2.754 4.326 ( 2.923 0.274 -3.936) 4.910 4.688 ( -6.539 -0.122 0.617) 6.569 4.710 ( -6.016 -0.199 -1.839) 6.294 4.737 ( -2.178 -0.012 1.512) 2.652 4.770 ( -2.013 0.070 -2.244) 3.015 5.001 ( -2.267 0.102 1.417) 2.675 5.022 ( -2.854 0.083 -0.606) 2.919 5.235 ( 5.285 -0.091 0.177) 5.289 5.261 ( 5.222 -0.199 -2.548) 5.814 5.939 ( -3.971 -1.269 9.138) 10.044 6.011 ( 3.781 -0.854 1.715) 4.239 6.180 ( 5.511 0.080 13.484) 14.567 6.416 ( 4.260 0.143 -12.440) 13.150 7.055 ( 6.286 0.067 0.722) 6.328 7.057 ( 5.823 -0.172 0.990) 5.909 ======================= Grid point 424 (144/147) ======================= q-point: (-0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -1.521 1.708 0.549) 2.352 0.869 ( 1.500 3.129 -2.373) 4.204 1.182 ( -4.293 7.726 8.975) 12.597 1.295 ( 2.107 6.495 -1.310) 6.953 1.359 ( -0.862 -5.693 5.333) 7.848 1.483 ( -5.130 -5.137 -6.902) 10.017 1.553 ( -6.698 2.084 3.695) 7.929 1.577 ( -4.793 1.684 -0.423) 5.098 1.760 ( -6.463 -1.371 7.015) 9.637 1.817 ( -4.102 -4.341 0.757) 6.020 1.945 ( -6.418 -2.541 5.273) 8.686 2.187 ( -4.929 0.219 -12.332) 13.282 2.286 ( 1.242 0.513 3.937) 4.160 2.316 ( 0.527 -0.293 1.504) 1.621 2.489 ( -7.602 0.150 -0.373) 7.613 2.532 ( -9.772 0.007 -4.079) 10.589 3.347 ( 3.284 0.588 12.034) 12.488 3.595 ( 3.534 0.816 -14.063) 14.523 3.799 ( -5.038 0.089 2.262) 5.523 3.849 ( -6.762 0.122 -3.292) 7.521 4.324 ( 3.207 0.592 2.135) 3.898 4.376 ( 2.247 0.660 -3.894) 4.543 4.539 ( -8.434 -0.324 1.054) 8.506 4.562 ( -8.516 -0.668 -1.514) 8.675 4.683 ( -2.980 0.071 1.164) 3.200 4.709 ( -3.692 0.132 -1.541) 4.002 4.981 ( -0.147 0.264 0.807) 0.862 4.997 ( -0.208 0.239 -0.816) 0.876 5.319 ( 3.162 -0.144 0.910) 3.294 5.337 ( 2.565 -0.314 -1.267) 2.878 5.874 ( -3.434 -3.368 17.047) 17.713 6.076 ( 2.225 -1.738 -3.571) 4.553 6.264 ( 3.276 -0.089 12.463) 12.887 6.468 ( 1.672 0.181 -10.618) 10.751 7.164 ( 4.768 0.633 0.861) 4.886 7.175 ( 5.701 0.279 0.134) 5.709 ======================= Grid point 425 (145/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -0.000 3.480 1.813) 3.924 0.881 ( -0.000 4.590 -4.209) 6.227 1.068 ( -0.000 7.701 12.627) 14.790 1.276 ( -0.000 6.399 -8.653) 10.762 1.381 ( -0.000 5.402 5.867) 7.975 1.409 ( -0.000 6.246 3.352) 7.089 1.489 ( 0.000 -6.030 1.287) 6.166 1.538 ( 0.000 -5.346 -4.574) 7.036 1.713 ( 0.000 -4.469 13.526) 14.245 1.804 ( 0.000 -5.318 3.110) 6.161 1.914 ( 0.000 -5.251 -1.687) 5.515 2.149 ( -0.000 0.206 -14.823) 14.825 2.310 ( -0.000 0.450 6.141) 6.157 2.314 ( 0.000 -0.113 6.251) 6.252 2.420 ( 0.000 -0.042 -5.318) 5.318 2.423 ( -0.000 0.183 -5.302) 5.305 3.380 ( -0.000 0.770 11.829) 11.854 3.629 ( -0.000 1.021 -14.719) 14.754 3.747 ( -0.000 0.075 1.542) 1.544 3.777 ( -0.000 0.083 -1.555) 1.557 4.391 ( -0.000 0.121 0.465) 0.481 4.399 ( -0.000 0.108 -0.301) 0.319 4.406 ( -0.000 0.220 3.322) 3.330 4.473 ( -0.000 0.230 -3.972) 3.979 4.650 ( -0.000 0.074 0.828) 0.832 4.667 ( -0.000 0.061 -0.882) 0.884 4.980 ( -0.000 0.399 0.862) 0.949 4.995 ( -0.000 0.410 -0.766) 0.869 5.349 ( 0.000 -0.127 0.730) 0.741 5.362 ( 0.000 -0.405 -0.849) 0.940 5.861 ( 0.000 -5.199 19.960) 20.626 6.108 ( 0.000 -2.677 -5.316) 5.953 6.297 ( 0.000 -0.401 11.649) 11.656 6.483 ( -0.000 0.258 -9.544) 9.548 7.207 ( -0.000 1.205 1.367) 1.822 7.232 ( -0.000 0.608 -0.888) 1.076 ======================= Grid point 436 (146/147) ======================= q-point: (-0.54 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -1.361 0.000 0.760) 1.559 0.884 ( 1.733 -0.000 -3.012) 3.475 1.239 ( -7.976 0.000 11.492) 13.989 1.309 ( 5.667 -0.000 3.346) 6.582 1.339 ( 2.699 -0.000 0.915) 2.850 1.445 ( -5.237 0.000 -9.792) 11.104 1.565 ( -6.196 0.000 5.802) 8.489 1.592 ( -6.384 0.000 0.151) 6.385 1.752 ( -8.619 0.000 1.684) 8.782 1.793 ( -3.430 0.000 1.809) 3.878 1.932 ( -6.922 0.000 7.239) 10.015 2.188 ( -4.923 0.000 -12.485) 13.420 2.288 ( 1.178 -0.000 3.875) 4.050 2.314 ( 0.530 -0.000 1.806) 1.882 2.489 ( -7.627 0.000 -0.410) 7.638 2.532 ( -9.745 0.000 -4.089) 10.568 3.350 ( 3.283 -0.000 12.186) 12.621 3.599 ( 3.513 -0.000 -14.035) 14.468 3.800 ( -5.066 0.000 2.276) 5.554 3.849 ( -6.812 0.000 -3.289) 7.565 4.326 ( 3.143 -0.000 2.159) 3.813 4.379 ( 2.207 -0.000 -3.898) 4.479 4.537 ( -8.402 0.000 0.987) 8.460 4.558 ( -8.411 0.000 -1.395) 8.525 4.684 ( -2.980 0.000 1.179) 3.205 4.709 ( -3.716 0.000 -1.561) 4.030 4.983 ( -0.133 0.000 0.801) 0.812 4.998 ( -0.184 0.000 -0.822) 0.842 5.318 ( 3.179 -0.000 0.963) 3.321 5.335 ( 2.570 -0.000 -1.203) 2.837 5.857 ( -3.503 0.000 17.397) 17.746 6.067 ( 2.152 -0.000 -4.031) 4.569 6.264 ( 3.229 -0.000 12.715) 13.119 6.469 ( 1.665 -0.000 -10.494) 10.625 7.168 ( 4.884 -0.000 0.732) 4.939 7.177 ( 5.797 -0.000 0.201) 5.800 ======================= Grid point 438 (147/147) ======================= q-point: (-0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -0.000 1.064 2.246) 2.486 0.910 ( -0.000 1.467 -4.601) 4.829 1.125 ( -0.000 3.482 12.554) 13.028 1.328 ( -0.000 3.688 -7.511) 8.367 1.432 ( -0.000 4.141 8.125) 9.119 1.441 ( 0.000 -3.188 1.174) 3.397 1.454 ( -0.000 2.250 3.624) 4.265 1.494 ( 0.000 -3.023 -5.779) 6.522 1.669 ( 0.000 -3.278 6.871) 7.613 1.767 ( 0.000 -2.162 2.393) 3.225 1.879 ( 0.000 -1.881 2.959) 3.506 2.151 ( -0.000 0.067 -14.796) 14.796 2.313 ( -0.000 0.172 6.022) 6.024 2.313 ( 0.000 -0.040 6.381) 6.381 2.419 ( 0.000 -0.042 -5.090) 5.090 2.424 ( -0.000 0.064 -5.391) 5.391 3.385 ( -0.000 0.265 12.199) 12.202 3.635 ( -0.000 0.344 -14.547) 14.551 3.748 ( -0.000 0.027 1.541) 1.541 3.777 ( -0.000 0.030 -1.561) 1.561 4.392 ( -0.000 0.044 0.463) 0.465 4.399 ( -0.000 0.039 -0.293) 0.296 4.408 ( -0.000 0.084 3.297) 3.298 4.474 ( -0.000 0.106 -4.056) 4.057 4.651 ( -0.000 0.027 0.822) 0.822 4.667 ( -0.000 0.022 -0.879) 0.880 4.983 ( -0.000 0.151 0.866) 0.879 4.998 ( -0.000 0.149 -0.792) 0.805 5.348 ( 0.000 -0.051 0.848) 0.850 5.359 ( 0.000 -0.173 -0.727) 0.747 5.827 ( 0.000 -1.729 20.470) 20.543 6.089 ( 0.000 -0.984 -6.446) 6.521 6.295 ( 0.000 -0.073 12.332) 12.332 6.484 ( -0.000 0.091 -9.266) 9.266 7.215 ( -0.000 0.443 1.132) 1.216 7.236 ( -0.000 0.240 -0.707) 0.746 =================== 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 3/30420 10.0 31.315 23.920 15.514 0.000 0.000 -0.000 3/30420 20.0 11.004 4.590 4.806 0.000 0.000 -0.000 3/30420 30.0 8.115 2.507 3.391 0.000 0.000 -0.000 3/30420 40.0 6.742 1.773 2.858 0.000 0.000 -0.000 3/30420 50.0 5.754 1.386 2.533 0.000 0.000 -0.000 3/30420 60.0 4.996 1.145 2.298 0.000 0.000 -0.000 3/30420 70.0 4.403 0.980 2.114 0.000 0.000 -0.000 3/30420 80.0 3.931 0.859 1.960 0.000 0.000 -0.000 3/30420 90.0 3.547 0.767 1.828 0.000 0.000 -0.000 3/30420 100.0 3.231 0.693 1.711 0.000 0.000 -0.000 3/30420 110.0 2.966 0.633 1.607 0.000 0.000 -0.000 3/30420 120.0 2.740 0.583 1.514 0.000 0.000 -0.000 3/30420 130.0 2.546 0.540 1.430 0.000 0.000 -0.000 3/30420 140.0 2.378 0.503 1.354 0.000 0.000 -0.000 3/30420 150.0 2.230 0.471 1.285 0.000 0.000 -0.000 3/30420 160.0 2.099 0.443 1.222 0.000 0.000 -0.000 3/30420 170.0 1.983 0.418 1.164 0.000 0.000 -0.000 3/30420 180.0 1.879 0.395 1.111 0.000 0.000 -0.000 3/30420 190.0 1.785 0.375 1.063 0.000 0.000 -0.000 3/30420 200.0 1.700 0.357 1.018 0.000 0.000 -0.000 3/30420 210.0 1.622 0.341 0.976 0.000 0.000 -0.000 3/30420 220.0 1.552 0.326 0.938 0.000 0.000 -0.000 3/30420 230.0 1.487 0.312 0.902 0.000 0.000 -0.000 3/30420 240.0 1.427 0.299 0.869 0.000 0.000 -0.000 3/30420 250.0 1.372 0.287 0.839 0.000 0.000 -0.000 3/30420 260.0 1.321 0.277 0.810 0.000 0.000 -0.000 3/30420 270.0 1.274 0.267 0.783 0.000 0.000 -0.000 3/30420 280.0 1.230 0.257 0.758 0.000 0.000 -0.000 3/30420 290.0 1.189 0.249 0.734 0.000 0.000 -0.000 3/30420 300.0 1.150 0.240 0.711 0.000 0.000 -0.000 3/30420 310.0 1.114 0.233 0.690 0.000 0.000 -0.000 3/30420 320.0 1.080 0.226 0.670 0.000 0.000 -0.000 3/30420 330.0 1.048 0.219 0.652 0.000 0.000 -0.000 3/30420 340.0 1.018 0.213 0.634 0.000 0.000 -0.000 3/30420 350.0 0.990 0.207 0.617 0.000 0.000 -0.000 3/30420 360.0 0.963 0.201 0.601 0.000 0.000 -0.000 3/30420 370.0 0.938 0.196 0.586 0.000 0.000 -0.000 3/30420 380.0 0.913 0.191 0.571 0.000 0.000 -0.000 3/30420 390.0 0.890 0.186 0.558 0.000 0.000 -0.000 3/30420 400.0 0.869 0.181 0.544 0.000 0.000 -0.000 3/30420 410.0 0.848 0.177 0.532 0.000 0.000 -0.000 3/30420 420.0 0.828 0.173 0.520 0.000 0.000 -0.000 3/30420 430.0 0.809 0.169 0.508 0.000 0.000 -0.000 3/30420 440.0 0.791 0.165 0.497 0.000 0.000 -0.000 3/30420 450.0 0.774 0.161 0.487 0.000 0.000 -0.000 3/30420 460.0 0.757 0.158 0.477 0.000 0.000 -0.000 3/30420 470.0 0.741 0.154 0.467 0.000 0.000 -0.000 3/30420 480.0 0.726 0.151 0.458 0.000 0.000 -0.000 3/30420 490.0 0.712 0.148 0.449 0.000 0.000 -0.000 3/30420 500.0 0.698 0.145 0.440 0.000 0.000 -0.000 3/30420 510.0 0.684 0.142 0.432 0.000 0.000 -0.000 3/30420 520.0 0.671 0.140 0.424 0.000 0.000 -0.000 3/30420 530.0 0.659 0.137 0.416 0.000 0.000 -0.000 3/30420 540.0 0.647 0.135 0.409 0.000 0.000 -0.000 3/30420 550.0 0.635 0.132 0.402 0.000 0.000 -0.000 3/30420 560.0 0.624 0.130 0.395 0.000 0.000 -0.000 3/30420 570.0 0.613 0.128 0.388 0.000 0.000 -0.000 3/30420 580.0 0.603 0.125 0.382 0.000 0.000 -0.000 3/30420 590.0 0.593 0.123 0.375 0.000 0.000 -0.000 3/30420 600.0 0.583 0.121 0.369 0.000 0.000 -0.000 3/30420 610.0 0.573 0.119 0.363 0.000 0.000 -0.000 3/30420 620.0 0.564 0.117 0.358 0.000 0.000 -0.000 3/30420 630.0 0.555 0.115 0.352 0.000 0.000 -0.000 3/30420 640.0 0.547 0.114 0.347 0.000 0.000 -0.000 3/30420 650.0 0.539 0.112 0.342 0.000 0.000 -0.000 3/30420 660.0 0.530 0.110 0.337 0.000 0.000 -0.000 3/30420 670.0 0.523 0.109 0.332 0.000 0.000 -0.000 3/30420 680.0 0.515 0.107 0.327 0.000 0.000 -0.000 3/30420 690.0 0.508 0.105 0.322 0.000 0.000 -0.000 3/30420 700.0 0.500 0.104 0.318 0.000 0.000 -0.000 3/30420 710.0 0.494 0.103 0.313 0.000 0.000 -0.000 3/30420 720.0 0.487 0.101 0.309 0.000 0.000 -0.000 3/30420 730.0 0.480 0.100 0.305 0.000 0.000 -0.000 3/30420 740.0 0.474 0.098 0.301 0.000 0.000 -0.000 3/30420 750.0 0.467 0.097 0.297 0.000 0.000 -0.000 3/30420 760.0 0.461 0.096 0.293 0.000 0.000 -0.000 3/30420 770.0 0.455 0.095 0.290 0.000 0.000 -0.000 3/30420 780.0 0.450 0.093 0.286 0.000 0.000 -0.000 3/30420 790.0 0.444 0.092 0.282 0.000 0.000 -0.000 3/30420 800.0 0.438 0.091 0.279 0.000 0.000 -0.000 3/30420 810.0 0.433 0.090 0.276 0.000 0.000 -0.000 3/30420 820.0 0.428 0.089 0.272 0.000 0.000 -0.000 3/30420 830.0 0.423 0.088 0.269 0.000 0.000 -0.000 3/30420 840.0 0.418 0.087 0.266 0.000 0.000 -0.000 3/30420 850.0 0.413 0.086 0.263 0.000 0.000 -0.000 3/30420 860.0 0.408 0.085 0.260 0.000 0.000 -0.000 3/30420 870.0 0.404 0.084 0.257 0.000 0.000 -0.000 3/30420 880.0 0.399 0.083 0.254 0.000 0.000 -0.000 3/30420 890.0 0.395 0.082 0.251 0.000 0.000 -0.000 3/30420 900.0 0.390 0.081 0.249 0.000 0.000 -0.000 3/30420 910.0 0.386 0.080 0.246 0.000 0.000 -0.000 3/30420 920.0 0.382 0.079 0.243 0.000 0.000 -0.000 3/30420 930.0 0.378 0.078 0.241 0.000 0.000 -0.000 3/30420 940.0 0.374 0.078 0.238 0.000 0.000 -0.000 3/30420 950.0 0.370 0.077 0.236 0.000 0.000 -0.000 3/30420 960.0 0.366 0.076 0.233 0.000 0.000 -0.000 3/30420 970.0 0.362 0.075 0.231 0.000 0.000 -0.000 3/30420 980.0 0.359 0.074 0.229 0.000 0.000 -0.000 3/30420 990.0 0.355 0.074 0.226 0.000 0.000 -0.000 3/30420 1000.0 0.351 0.073 0.224 0.000 0.000 -0.000 3/30420 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:51:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|