----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:53:33]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.027548366760759 0.000000000000000 0.000000000000000 b 0.000000000000000 5.262726920000000 0.000000000000000 c -0.008772337050327 0.000000000000000 5.262285627595658 Atomic positions (fractional): *1 Li 0.00000000000000 0.24915110327357 0.25000000000000 6.941 2 Li 0.00000000000000 0.75084889672643 0.75000000000000 6.941 *3 F 0.73780318976564 0.56408764284811 0.56451263506712 18.998 4 F 0.26219681023436 0.56408764284811 0.93548736493288 18.998 *5 F 0.73792802869679 0.06389471234183 0.43653383337774 18.998 6 F 0.26207197130321 0.06389471234183 0.06346616662226 18.998 7 F 0.26207197130321 0.93610528765817 0.56346616662226 18.998 8 F 0.73792802869679 0.93610528765817 0.93653383337774 18.998 9 F 0.73780318976564 0.43591235715189 0.06451263506712 18.998 10 F 0.26219681023436 0.43591235715189 0.43548736493288 18.998 *11 Y 0.50000000000000 0.25011915389425 0.75000000000000 88.906 12 Y 0.50000000000000 0.74988084610575 0.25000000000000 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.027548366760759 0.000000000000000 0.000000000000000 b 0.000000000000000 5.262726920000000 0.000000000000000 c -0.008772337050327 0.000000000000000 5.262285627595658 Atomic positions (fractional): *1 Li 0.00000000000000 0.24915110327357 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.75084889672643 0.75000000000000 6.941 > 2 *3 F 0.73780318976564 0.56408764284811 0.56451263506712 18.998 > 3 4 F 0.26219681023436 0.56408764284811 0.93548736493288 18.998 > 4 *5 F 0.73792802869679 0.06389471234183 0.43653383337774 18.998 > 5 6 F 0.26207197130321 0.06389471234183 0.06346616662226 18.998 > 6 7 F 0.26207197130321 0.93610528765817 0.56346616662226 18.998 > 7 8 F 0.73792802869679 0.93610528765817 0.93653383337774 18.998 > 8 9 F 0.73780318976564 0.43591235715189 0.06451263506712 18.998 > 9 10 F 0.26219681023436 0.43591235715189 0.43548736493288 18.998 > 10 *11 Y 0.50000000000000 0.25011915389425 0.75000000000000 88.906 > 11 12 Y 0.50000000000000 0.74988084610575 0.25000000000000 88.906 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.082645100282278 0.000000000000000 0.000000000000000 b 0.000000000000000 10.525453840000001 0.000000000000000 c -0.017544674100654 0.000000000000000 10.524571255191317 Atomic positions (fractional): *1 Li 0.00000000000000 0.12457555163678 0.12500000000000 6.941 > 1 2 Li 0.33333333333333 0.12457555163678 0.12500000000000 6.941 > 1 3 Li 0.66666666666667 0.12457555163678 0.12500000000000 6.941 > 1 4 Li 0.00000000000000 0.62457555163678 0.12500000000000 6.941 > 1 5 Li 0.33333333333333 0.62457555163678 0.12500000000000 6.941 > 1 6 Li 0.66666666666667 0.62457555163678 0.12500000000000 6.941 > 1 7 Li 0.00000000000000 0.12457555163678 0.62500000000000 6.941 > 1 8 Li 0.33333333333333 0.12457555163678 0.62500000000000 6.941 > 1 9 Li 0.66666666666667 0.12457555163678 0.62500000000000 6.941 > 1 10 Li 0.00000000000000 0.62457555163678 0.62500000000000 6.941 > 1 11 Li 0.33333333333333 0.62457555163678 0.62500000000000 6.941 > 1 12 Li 0.66666666666667 0.62457555163678 0.62500000000000 6.941 > 1 13 Li 0.00000000000000 0.37542444836322 0.37500000000000 6.941 > 2 14 Li 0.33333333333333 0.37542444836322 0.37500000000000 6.941 > 2 15 Li 0.66666666666667 0.37542444836322 0.37500000000000 6.941 > 2 16 Li 0.00000000000000 0.87542444836322 0.37500000000000 6.941 > 2 17 Li 0.33333333333333 0.87542444836322 0.37500000000000 6.941 > 2 18 Li 0.66666666666667 0.87542444836322 0.37500000000000 6.941 > 2 19 Li 0.00000000000000 0.37542444836322 0.87500000000000 6.941 > 2 20 Li 0.33333333333333 0.37542444836322 0.87500000000000 6.941 > 2 21 Li 0.66666666666667 0.37542444836322 0.87500000000000 6.941 > 2 22 Li 0.00000000000000 0.87542444836322 0.87500000000000 6.941 > 2 23 Li 0.33333333333333 0.87542444836322 0.87500000000000 6.941 > 2 24 Li 0.66666666666667 0.87542444836322 0.87500000000000 6.941 > 2 *25 F 0.24593439658855 0.28204382142405 0.28225631753356 18.998 > 3 26 F 0.57926772992188 0.28204382142405 0.28225631753356 18.998 > 3 27 F 0.91260106325521 0.28204382142405 0.28225631753356 18.998 > 3 28 F 0.24593439658855 0.78204382142406 0.28225631753356 18.998 > 3 29 F 0.57926772992188 0.78204382142406 0.28225631753356 18.998 > 3 30 F 0.91260106325521 0.78204382142406 0.28225631753356 18.998 > 3 31 F 0.24593439658855 0.28204382142405 0.78225631753356 18.998 > 3 32 F 0.57926772992188 0.28204382142405 0.78225631753356 18.998 > 3 33 F 0.91260106325521 0.28204382142405 0.78225631753356 18.998 > 3 34 F 0.24593439658855 0.78204382142406 0.78225631753356 18.998 > 3 35 F 0.57926772992188 0.78204382142406 0.78225631753356 18.998 > 3 36 F 0.91260106325521 0.78204382142406 0.78225631753356 18.998 > 3 37 F 0.08739893674479 0.28204382142405 0.46774368246644 18.998 > 4 38 F 0.42073227007812 0.28204382142405 0.46774368246644 18.998 > 4 39 F 0.75406560341145 0.28204382142405 0.46774368246644 18.998 > 4 40 F 0.08739893674479 0.78204382142406 0.46774368246644 18.998 > 4 41 F 0.42073227007812 0.78204382142406 0.46774368246644 18.998 > 4 42 F 0.75406560341145 0.78204382142406 0.46774368246644 18.998 > 4 43 F 0.08739893674479 0.28204382142405 0.96774368246644 18.998 > 4 44 F 0.42073227007812 0.28204382142405 0.96774368246644 18.998 > 4 45 F 0.75406560341145 0.28204382142405 0.96774368246644 18.998 > 4 46 F 0.08739893674479 0.78204382142406 0.96774368246644 18.998 > 4 47 F 0.42073227007812 0.78204382142406 0.96774368246644 18.998 > 4 48 F 0.75406560341145 0.78204382142406 0.96774368246644 18.998 > 4 *49 F 0.24597600956560 0.03194735617092 0.21826691668887 18.998 > 5 50 F 0.57930934289893 0.03194735617092 0.21826691668887 18.998 > 5 51 F 0.91264267623226 0.03194735617092 0.21826691668887 18.998 > 5 52 F 0.24597600956560 0.53194735617092 0.21826691668887 18.998 > 5 53 F 0.57930934289893 0.53194735617092 0.21826691668887 18.998 > 5 54 F 0.91264267623226 0.53194735617092 0.21826691668887 18.998 > 5 55 F 0.24597600956560 0.03194735617092 0.71826691668887 18.998 > 5 56 F 0.57930934289893 0.03194735617092 0.71826691668887 18.998 > 5 57 F 0.91264267623226 0.03194735617092 0.71826691668887 18.998 > 5 58 F 0.24597600956560 0.53194735617092 0.71826691668887 18.998 > 5 59 F 0.57930934289893 0.53194735617092 0.71826691668887 18.998 > 5 60 F 0.91264267623226 0.53194735617092 0.71826691668887 18.998 > 5 61 F 0.08735732376774 0.03194735617092 0.03173308331113 18.998 > 6 62 F 0.42069065710107 0.03194735617092 0.03173308331113 18.998 > 6 63 F 0.75402399043440 0.03194735617092 0.03173308331113 18.998 > 6 64 F 0.08735732376774 0.53194735617092 0.03173308331113 18.998 > 6 65 F 0.42069065710107 0.53194735617092 0.03173308331113 18.998 > 6 66 F 0.75402399043440 0.53194735617092 0.03173308331113 18.998 > 6 67 F 0.08735732376774 0.03194735617092 0.53173308331113 18.998 > 6 68 F 0.42069065710107 0.03194735617092 0.53173308331113 18.998 > 6 69 F 0.75402399043440 0.03194735617092 0.53173308331113 18.998 > 6 70 F 0.08735732376774 0.53194735617092 0.53173308331113 18.998 > 6 71 F 0.42069065710107 0.53194735617092 0.53173308331113 18.998 > 6 72 F 0.75402399043440 0.53194735617092 0.53173308331113 18.998 > 6 73 F 0.08735732376774 0.46805264382908 0.28173308331113 18.998 > 7 74 F 0.42069065710107 0.46805264382908 0.28173308331113 18.998 > 7 75 F 0.75402399043440 0.46805264382908 0.28173308331113 18.998 > 7 76 F 0.08735732376774 0.96805264382908 0.28173308331113 18.998 > 7 77 F 0.42069065710107 0.96805264382908 0.28173308331113 18.998 > 7 78 F 0.75402399043440 0.96805264382908 0.28173308331113 18.998 > 7 79 F 0.08735732376774 0.46805264382908 0.78173308331113 18.998 > 7 80 F 0.42069065710107 0.46805264382908 0.78173308331113 18.998 > 7 81 F 0.75402399043440 0.46805264382908 0.78173308331113 18.998 > 7 82 F 0.08735732376774 0.96805264382908 0.78173308331113 18.998 > 7 83 F 0.42069065710107 0.96805264382908 0.78173308331113 18.998 > 7 84 F 0.75402399043440 0.96805264382908 0.78173308331113 18.998 > 7 85 F 0.24597600956560 0.46805264382908 0.46826691668887 18.998 > 8 86 F 0.57930934289893 0.46805264382908 0.46826691668887 18.998 > 8 87 F 0.91264267623226 0.46805264382908 0.46826691668887 18.998 > 8 88 F 0.24597600956560 0.96805264382908 0.46826691668887 18.998 > 8 89 F 0.57930934289893 0.96805264382908 0.46826691668887 18.998 > 8 90 F 0.91264267623226 0.96805264382908 0.46826691668887 18.998 > 8 91 F 0.24597600956560 0.46805264382908 0.96826691668887 18.998 > 8 92 F 0.57930934289893 0.46805264382908 0.96826691668887 18.998 > 8 93 F 0.91264267623226 0.46805264382908 0.96826691668887 18.998 > 8 94 F 0.24597600956560 0.96805264382908 0.96826691668887 18.998 > 8 95 F 0.57930934289893 0.96805264382908 0.96826691668887 18.998 > 8 96 F 0.91264267623226 0.96805264382908 0.96826691668887 18.998 > 8 97 F 0.24593439658855 0.21795617857594 0.03225631753356 18.998 > 9 98 F 0.57926772992188 0.21795617857594 0.03225631753356 18.998 > 9 99 F 0.91260106325521 0.21795617857594 0.03225631753356 18.998 > 9 100 F 0.24593439658855 0.71795617857594 0.03225631753356 18.998 > 9 101 F 0.57926772992188 0.71795617857594 0.03225631753356 18.998 > 9 102 F 0.91260106325521 0.71795617857594 0.03225631753356 18.998 > 9 103 F 0.24593439658855 0.21795617857594 0.53225631753356 18.998 > 9 104 F 0.57926772992188 0.21795617857594 0.53225631753356 18.998 > 9 105 F 0.91260106325521 0.21795617857594 0.53225631753356 18.998 > 9 106 F 0.24593439658855 0.71795617857594 0.53225631753356 18.998 > 9 107 F 0.57926772992188 0.71795617857594 0.53225631753356 18.998 > 9 108 F 0.91260106325521 0.71795617857594 0.53225631753356 18.998 > 9 109 F 0.08739893674479 0.21795617857594 0.21774368246644 18.998 > 10 110 F 0.42073227007812 0.21795617857594 0.21774368246644 18.998 > 10 111 F 0.75406560341145 0.21795617857594 0.21774368246644 18.998 > 10 112 F 0.08739893674479 0.71795617857594 0.21774368246644 18.998 > 10 113 F 0.42073227007812 0.71795617857594 0.21774368246644 18.998 > 10 114 F 0.75406560341145 0.71795617857594 0.21774368246644 18.998 > 10 115 F 0.08739893674479 0.21795617857594 0.71774368246644 18.998 > 10 116 F 0.42073227007812 0.21795617857594 0.71774368246644 18.998 > 10 117 F 0.75406560341145 0.21795617857594 0.71774368246644 18.998 > 10 118 F 0.08739893674479 0.71795617857594 0.71774368246644 18.998 > 10 119 F 0.42073227007812 0.71795617857594 0.71774368246644 18.998 > 10 120 F 0.75406560341145 0.71795617857594 0.71774368246644 18.998 > 10 *121 Y 0.16666666666667 0.12505957694713 0.37500000000000 88.906 > 11 122 Y 0.50000000000000 0.12505957694713 0.37500000000000 88.906 > 11 123 Y 0.83333333333333 0.12505957694713 0.37500000000000 88.906 > 11 124 Y 0.16666666666667 0.62505957694713 0.37500000000000 88.906 > 11 125 Y 0.50000000000000 0.62505957694713 0.37500000000000 88.906 > 11 126 Y 0.83333333333333 0.62505957694713 0.37500000000000 88.906 > 11 127 Y 0.16666666666667 0.12505957694713 0.87500000000000 88.906 > 11 128 Y 0.50000000000000 0.12505957694713 0.87500000000000 88.906 > 11 129 Y 0.83333333333333 0.12505957694713 0.87500000000000 88.906 > 11 130 Y 0.16666666666667 0.62505957694713 0.87500000000000 88.906 > 11 131 Y 0.50000000000000 0.62505957694713 0.87500000000000 88.906 > 11 132 Y 0.83333333333333 0.62505957694713 0.87500000000000 88.906 > 11 133 Y 0.16666666666667 0.37494042305287 0.12500000000000 88.906 > 12 134 Y 0.50000000000000 0.37494042305287 0.12500000000000 88.906 > 12 135 Y 0.83333333333333 0.37494042305287 0.12500000000000 88.906 > 12 136 Y 0.16666666666667 0.87494042305287 0.12500000000000 88.906 > 12 137 Y 0.50000000000000 0.87494042305287 0.12500000000000 88.906 > 12 138 Y 0.83333333333333 0.87494042305287 0.12500000000000 88.906 > 12 139 Y 0.16666666666667 0.37494042305287 0.62500000000000 88.906 > 12 140 Y 0.50000000000000 0.37494042305287 0.62500000000000 88.906 > 12 141 Y 0.83333333333333 0.37494042305287 0.62500000000000 88.906 > 12 142 Y 0.16666666666667 0.87494042305287 0.62500000000000 88.906 > 12 143 Y 0.50000000000000 0.87494042305287 0.62500000000000 88.906 > 12 144 Y 0.83333333333333 0.87494042305287 0.62500000000000 88.906 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2292516 0.0000000 -0.0002468 0.0000000 2.4636007 0.0000000 -0.0002465 0.0000000 2.4635474 -------------------------- Born effective charges -------------------------- 1 Li 1.3311997 0.0000000 0.0008611 0.0000000 1.0077189 0.0000000 0.0006439 0.0000000 1.0076971 2 Li 1.3311997 0.0000000 0.0008611 0.0000000 1.0077189 0.0000000 0.0006439 0.0000000 1.0076971 3 F -1.0363027 -0.1045952 -0.1029237 -0.1029123 -1.2376657 0.3551712 -0.1010634 0.3553753 -1.2374434 4 F -1.0363027 0.1045952 -0.1029237 0.1029123 -1.2376657 -0.3551712 -0.1010634 -0.3553753 -1.2374434 5 F -1.0378009 -0.1017185 0.1034899 -0.0997521 -1.2370058 -0.3550141 0.1017165 -0.3548549 -1.2371551 6 F -1.0378009 0.1017185 0.1034899 0.0997521 -1.2370058 0.3550141 0.1017165 0.3548549 -1.2371551 7 F -1.0378009 -0.1017185 0.1034899 -0.0997521 -1.2370058 -0.3550141 0.1017165 -0.3548549 -1.2371551 8 F -1.0378009 0.1017185 0.1034899 0.0997521 -1.2370058 0.3550141 0.1017165 0.3548549 -1.2371551 9 F -1.0363027 0.1045952 -0.1029237 0.1029123 -1.2376657 -0.3551712 -0.1010634 -0.3553753 -1.2374434 10 F -1.0363027 -0.1045952 -0.1029237 -0.1029123 -1.2376657 0.3551712 -0.1010634 0.3553753 -1.2374434 11 Y 2.8170075 0.0000000 -0.0019934 0.0000000 3.9416241 0.0000000 -0.0019500 0.0000000 3.9414999 12 Y 2.8170075 0.0000000 -0.0019934 0.0000000 3.9416241 0.0000000 -0.0019500 0.0000000 3.9414999 ---------------------------------------------------------------------------- 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: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.826 Solver_block: 200 / 400 - Time: 0.762 Solver_block: 300 / 400 - Time: 0.778 Solver_block: 400 / 400 - Time: 0.733 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.190 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:53:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:53:59]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.027548366760759 0.000000000000000 0.000000000000000 b 0.000000000000000 5.262726920000000 0.000000000000000 c -0.008772337050327 0.000000000000000 5.262285627595658 Atomic positions (fractional): 1 Li 0.00000000000000 0.24915110327357 0.25000000000000 6.941 2 Li 0.00000000000000 0.75084889672643 0.75000000000000 6.941 3 F 0.73780318976564 0.56408764284811 0.56451263506712 18.998 4 F 0.26219681023436 0.56408764284811 0.93548736493288 18.998 5 F 0.73792802869679 0.06389471234183 0.43653383337774 18.998 6 F 0.26207197130321 0.06389471234183 0.06346616662226 18.998 7 F 0.26207197130321 0.93610528765817 0.56346616662226 18.998 8 F 0.73792802869679 0.93610528765817 0.93653383337774 18.998 9 F 0.73780318976564 0.43591235715189 0.06451263506712 18.998 10 F 0.26219681023436 0.43591235715189 0.43548736493288 18.998 11 Y 0.50000000000000 0.25011915389425 0.75000000000000 88.906 12 Y 0.50000000000000 0.74988084610575 0.25000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.082645100282278 0.000000000000000 0.000000000000000 b 0.000000000000000 10.525453840000001 0.000000000000000 c -0.017544674100654 0.000000000000000 10.524571255191317 Atomic positions (fractional): 1 Li 0.00000000000000 0.12457555163678 0.12500000000000 6.941 > 1 2 Li 0.33333333333333 0.12457555163678 0.12500000000000 6.941 > 1 3 Li 0.66666666666667 0.12457555163678 0.12500000000000 6.941 > 1 4 Li 0.00000000000000 0.62457555163678 0.12500000000000 6.941 > 1 5 Li 0.33333333333333 0.62457555163678 0.12500000000000 6.941 > 1 6 Li 0.66666666666667 0.62457555163678 0.12500000000000 6.941 > 1 7 Li 0.00000000000000 0.12457555163678 0.62500000000000 6.941 > 1 8 Li 0.33333333333333 0.12457555163678 0.62500000000000 6.941 > 1 9 Li 0.66666666666667 0.12457555163678 0.62500000000000 6.941 > 1 10 Li 0.00000000000000 0.62457555163678 0.62500000000000 6.941 > 1 11 Li 0.33333333333333 0.62457555163678 0.62500000000000 6.941 > 1 12 Li 0.66666666666667 0.62457555163678 0.62500000000000 6.941 > 1 13 Li 0.00000000000000 0.37542444836322 0.37500000000000 6.941 > 13 14 Li 0.33333333333333 0.37542444836322 0.37500000000000 6.941 > 13 15 Li 0.66666666666667 0.37542444836322 0.37500000000000 6.941 > 13 16 Li 0.00000000000000 0.87542444836322 0.37500000000000 6.941 > 13 17 Li 0.33333333333333 0.87542444836322 0.37500000000000 6.941 > 13 18 Li 0.66666666666667 0.87542444836322 0.37500000000000 6.941 > 13 19 Li 0.00000000000000 0.37542444836322 0.87500000000000 6.941 > 13 20 Li 0.33333333333333 0.37542444836322 0.87500000000000 6.941 > 13 21 Li 0.66666666666667 0.37542444836322 0.87500000000000 6.941 > 13 22 Li 0.00000000000000 0.87542444836322 0.87500000000000 6.941 > 13 23 Li 0.33333333333333 0.87542444836322 0.87500000000000 6.941 > 13 24 Li 0.66666666666667 0.87542444836322 0.87500000000000 6.941 > 13 25 F 0.24593439658855 0.28204382142405 0.28225631753356 18.998 > 25 26 F 0.57926772992188 0.28204382142405 0.28225631753356 18.998 > 25 27 F 0.91260106325521 0.28204382142405 0.28225631753356 18.998 > 25 28 F 0.24593439658855 0.78204382142406 0.28225631753356 18.998 > 25 29 F 0.57926772992188 0.78204382142406 0.28225631753356 18.998 > 25 30 F 0.91260106325521 0.78204382142406 0.28225631753356 18.998 > 25 31 F 0.24593439658855 0.28204382142405 0.78225631753356 18.998 > 25 32 F 0.57926772992188 0.28204382142405 0.78225631753356 18.998 > 25 33 F 0.91260106325521 0.28204382142405 0.78225631753356 18.998 > 25 34 F 0.24593439658855 0.78204382142406 0.78225631753356 18.998 > 25 35 F 0.57926772992188 0.78204382142406 0.78225631753356 18.998 > 25 36 F 0.91260106325521 0.78204382142406 0.78225631753356 18.998 > 25 37 F 0.08739893674479 0.28204382142405 0.46774368246644 18.998 > 37 38 F 0.42073227007812 0.28204382142405 0.46774368246644 18.998 > 37 39 F 0.75406560341145 0.28204382142405 0.46774368246644 18.998 > 37 40 F 0.08739893674479 0.78204382142406 0.46774368246644 18.998 > 37 41 F 0.42073227007812 0.78204382142406 0.46774368246644 18.998 > 37 42 F 0.75406560341145 0.78204382142406 0.46774368246644 18.998 > 37 43 F 0.08739893674479 0.28204382142405 0.96774368246644 18.998 > 37 44 F 0.42073227007812 0.28204382142405 0.96774368246644 18.998 > 37 45 F 0.75406560341145 0.28204382142405 0.96774368246644 18.998 > 37 46 F 0.08739893674479 0.78204382142406 0.96774368246644 18.998 > 37 47 F 0.42073227007812 0.78204382142406 0.96774368246644 18.998 > 37 48 F 0.75406560341145 0.78204382142406 0.96774368246644 18.998 > 37 49 F 0.24597600956560 0.03194735617092 0.21826691668887 18.998 > 49 50 F 0.57930934289893 0.03194735617092 0.21826691668887 18.998 > 49 51 F 0.91264267623226 0.03194735617092 0.21826691668887 18.998 > 49 52 F 0.24597600956560 0.53194735617092 0.21826691668887 18.998 > 49 53 F 0.57930934289893 0.53194735617092 0.21826691668887 18.998 > 49 54 F 0.91264267623226 0.53194735617092 0.21826691668887 18.998 > 49 55 F 0.24597600956560 0.03194735617092 0.71826691668887 18.998 > 49 56 F 0.57930934289893 0.03194735617092 0.71826691668887 18.998 > 49 57 F 0.91264267623226 0.03194735617092 0.71826691668887 18.998 > 49 58 F 0.24597600956560 0.53194735617092 0.71826691668887 18.998 > 49 59 F 0.57930934289893 0.53194735617092 0.71826691668887 18.998 > 49 60 F 0.91264267623226 0.53194735617092 0.71826691668887 18.998 > 49 61 F 0.08735732376774 0.03194735617092 0.03173308331113 18.998 > 61 62 F 0.42069065710107 0.03194735617092 0.03173308331113 18.998 > 61 63 F 0.75402399043440 0.03194735617092 0.03173308331113 18.998 > 61 64 F 0.08735732376774 0.53194735617092 0.03173308331113 18.998 > 61 65 F 0.42069065710107 0.53194735617092 0.03173308331113 18.998 > 61 66 F 0.75402399043440 0.53194735617092 0.03173308331113 18.998 > 61 67 F 0.08735732376774 0.03194735617092 0.53173308331113 18.998 > 61 68 F 0.42069065710107 0.03194735617092 0.53173308331113 18.998 > 61 69 F 0.75402399043440 0.03194735617092 0.53173308331113 18.998 > 61 70 F 0.08735732376774 0.53194735617092 0.53173308331113 18.998 > 61 71 F 0.42069065710107 0.53194735617092 0.53173308331113 18.998 > 61 72 F 0.75402399043440 0.53194735617092 0.53173308331113 18.998 > 61 73 F 0.08735732376774 0.46805264382908 0.28173308331113 18.998 > 73 74 F 0.42069065710107 0.46805264382908 0.28173308331113 18.998 > 73 75 F 0.75402399043440 0.46805264382908 0.28173308331113 18.998 > 73 76 F 0.08735732376774 0.96805264382908 0.28173308331113 18.998 > 73 77 F 0.42069065710107 0.96805264382908 0.28173308331113 18.998 > 73 78 F 0.75402399043440 0.96805264382908 0.28173308331113 18.998 > 73 79 F 0.08735732376774 0.46805264382908 0.78173308331113 18.998 > 73 80 F 0.42069065710107 0.46805264382908 0.78173308331113 18.998 > 73 81 F 0.75402399043440 0.46805264382908 0.78173308331113 18.998 > 73 82 F 0.08735732376774 0.96805264382908 0.78173308331113 18.998 > 73 83 F 0.42069065710107 0.96805264382908 0.78173308331113 18.998 > 73 84 F 0.75402399043440 0.96805264382908 0.78173308331113 18.998 > 73 85 F 0.24597600956560 0.46805264382908 0.46826691668887 18.998 > 85 86 F 0.57930934289893 0.46805264382908 0.46826691668887 18.998 > 85 87 F 0.91264267623226 0.46805264382908 0.46826691668887 18.998 > 85 88 F 0.24597600956560 0.96805264382908 0.46826691668887 18.998 > 85 89 F 0.57930934289893 0.96805264382908 0.46826691668887 18.998 > 85 90 F 0.91264267623226 0.96805264382908 0.46826691668887 18.998 > 85 91 F 0.24597600956560 0.46805264382908 0.96826691668887 18.998 > 85 92 F 0.57930934289893 0.46805264382908 0.96826691668887 18.998 > 85 93 F 0.91264267623226 0.46805264382908 0.96826691668887 18.998 > 85 94 F 0.24597600956560 0.96805264382908 0.96826691668887 18.998 > 85 95 F 0.57930934289893 0.96805264382908 0.96826691668887 18.998 > 85 96 F 0.91264267623226 0.96805264382908 0.96826691668887 18.998 > 85 97 F 0.24593439658855 0.21795617857594 0.03225631753356 18.998 > 97 98 F 0.57926772992188 0.21795617857594 0.03225631753356 18.998 > 97 99 F 0.91260106325521 0.21795617857594 0.03225631753356 18.998 > 97 100 F 0.24593439658855 0.71795617857594 0.03225631753356 18.998 > 97 101 F 0.57926772992188 0.71795617857594 0.03225631753356 18.998 > 97 102 F 0.91260106325521 0.71795617857594 0.03225631753356 18.998 > 97 103 F 0.24593439658855 0.21795617857594 0.53225631753356 18.998 > 97 104 F 0.57926772992188 0.21795617857594 0.53225631753356 18.998 > 97 105 F 0.91260106325521 0.21795617857594 0.53225631753356 18.998 > 97 106 F 0.24593439658855 0.71795617857594 0.53225631753356 18.998 > 97 107 F 0.57926772992188 0.71795617857594 0.53225631753356 18.998 > 97 108 F 0.91260106325521 0.71795617857594 0.53225631753356 18.998 > 97 109 F 0.08739893674479 0.21795617857594 0.21774368246644 18.998 > 109 110 F 0.42073227007812 0.21795617857594 0.21774368246644 18.998 > 109 111 F 0.75406560341145 0.21795617857594 0.21774368246644 18.998 > 109 112 F 0.08739893674479 0.71795617857594 0.21774368246644 18.998 > 109 113 F 0.42073227007812 0.71795617857594 0.21774368246644 18.998 > 109 114 F 0.75406560341145 0.71795617857594 0.21774368246644 18.998 > 109 115 F 0.08739893674479 0.21795617857594 0.71774368246644 18.998 > 109 116 F 0.42073227007812 0.21795617857594 0.71774368246644 18.998 > 109 117 F 0.75406560341145 0.21795617857594 0.71774368246644 18.998 > 109 118 F 0.08739893674479 0.71795617857594 0.71774368246644 18.998 > 109 119 F 0.42073227007812 0.71795617857594 0.71774368246644 18.998 > 109 120 F 0.75406560341145 0.71795617857594 0.71774368246644 18.998 > 109 121 Y 0.16666666666667 0.12505957694713 0.37500000000000 88.906 > 121 122 Y 0.50000000000000 0.12505957694713 0.37500000000000 88.906 > 121 123 Y 0.83333333333333 0.12505957694713 0.37500000000000 88.906 > 121 124 Y 0.16666666666667 0.62505957694713 0.37500000000000 88.906 > 121 125 Y 0.50000000000000 0.62505957694713 0.37500000000000 88.906 > 121 126 Y 0.83333333333333 0.62505957694713 0.37500000000000 88.906 > 121 127 Y 0.16666666666667 0.12505957694713 0.87500000000000 88.906 > 121 128 Y 0.50000000000000 0.12505957694713 0.87500000000000 88.906 > 121 129 Y 0.83333333333333 0.12505957694713 0.87500000000000 88.906 > 121 130 Y 0.16666666666667 0.62505957694713 0.87500000000000 88.906 > 121 131 Y 0.50000000000000 0.62505957694713 0.87500000000000 88.906 > 121 132 Y 0.83333333333333 0.62505957694713 0.87500000000000 88.906 > 121 133 Y 0.16666666666667 0.37494042305287 0.12500000000000 88.906 > 133 134 Y 0.50000000000000 0.37494042305287 0.12500000000000 88.906 > 133 135 Y 0.83333333333333 0.37494042305287 0.12500000000000 88.906 > 133 136 Y 0.16666666666667 0.87494042305287 0.12500000000000 88.906 > 133 137 Y 0.50000000000000 0.87494042305287 0.12500000000000 88.906 > 133 138 Y 0.83333333333333 0.87494042305287 0.12500000000000 88.906 > 133 139 Y 0.16666666666667 0.37494042305287 0.62500000000000 88.906 > 133 140 Y 0.50000000000000 0.37494042305287 0.62500000000000 88.906 > 133 141 Y 0.83333333333333 0.37494042305287 0.62500000000000 88.906 > 133 142 Y 0.16666666666667 0.87494042305287 0.62500000000000 88.906 > 133 143 Y 0.50000000000000 0.87494042305287 0.62500000000000 88.906 > 133 144 Y 0.83333333333333 0.87494042305287 0.62500000000000 88.906 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2292516 0.0000000 -0.0002468 0.0000000 2.4636007 0.0000000 -0.0002465 0.0000000 2.4635474 -------------------------- Born effective charges -------------------------- 1 Li 1.3311997 0.0000000 0.0008611 0.0000000 1.0077189 0.0000000 0.0006439 0.0000000 1.0076971 2 Li 1.3311997 0.0000000 0.0008611 0.0000000 1.0077189 0.0000000 0.0006439 0.0000000 1.0076971 3 F -1.0363027 -0.1045952 -0.1029237 -0.1029123 -1.2376657 0.3551712 -0.1010634 0.3553753 -1.2374434 4 F -1.0363027 0.1045952 -0.1029237 0.1029123 -1.2376657 -0.3551712 -0.1010634 -0.3553753 -1.2374434 5 F -1.0378009 -0.1017185 0.1034899 -0.0997521 -1.2370058 -0.3550141 0.1017165 -0.3548549 -1.2371551 6 F -1.0378009 0.1017185 0.1034899 0.0997521 -1.2370058 0.3550141 0.1017165 0.3548549 -1.2371551 7 F -1.0378009 -0.1017185 0.1034899 -0.0997521 -1.2370058 -0.3550141 0.1017165 -0.3548549 -1.2371551 8 F -1.0378009 0.1017185 0.1034899 0.0997521 -1.2370058 0.3550141 0.1017165 0.3548549 -1.2371551 9 F -1.0363027 0.1045952 -0.1029237 0.1029123 -1.2376657 -0.3551712 -0.1010634 -0.3553753 -1.2374434 10 F -1.0363027 -0.1045952 -0.1029237 -0.1029123 -1.2376657 0.3551712 -0.1010634 0.3553753 -1.2374434 11 Y 2.8170075 0.0000000 -0.0019934 0.0000000 3.9416241 0.0000000 -0.0019500 0.0000000 3.9414999 12 Y 2.8170075 0.0000000 -0.0019934 0.0000000 3.9416241 0.0000000 -0.0019500 0.0000000 3.9414999 ---------------------------------------------------------------------------- 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[ 121, 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: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:54:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:54:24]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.027548366760759 0.000000000000000 0.000000000000000 b 0.000000000000000 5.262726920000000 0.000000000000000 c -0.008772337050327 0.000000000000000 5.262285627595658 Atomic positions (fractional): 1 Li 0.00000000000000 0.24915110327357 0.25000000000000 6.941 2 Li 0.00000000000000 0.75084889672643 0.75000000000000 6.941 3 F 0.73780318976564 0.56408764284811 0.56451263506712 18.998 4 F 0.26219681023436 0.56408764284811 0.93548736493288 18.998 5 F 0.73792802869679 0.06389471234183 0.43653383337774 18.998 6 F 0.26207197130321 0.06389471234183 0.06346616662226 18.998 7 F 0.26207197130321 0.93610528765817 0.56346616662226 18.998 8 F 0.73792802869679 0.93610528765817 0.93653383337774 18.998 9 F 0.73780318976564 0.43591235715189 0.06451263506712 18.998 10 F 0.26219681023436 0.43591235715189 0.43548736493288 18.998 11 Y 0.50000000000000 0.25011915389425 0.75000000000000 88.906 12 Y 0.50000000000000 0.74988084610575 0.25000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.082645100282278 0.000000000000000 0.000000000000000 b 0.000000000000000 10.525453840000001 0.000000000000000 c -0.017544674100654 0.000000000000000 10.524571255191317 Atomic positions (fractional): 1 Li 0.00000000000000 0.12457555163678 0.12500000000000 6.941 > 1 2 Li 0.33333333333333 0.12457555163678 0.12500000000000 6.941 > 1 3 Li 0.66666666666667 0.12457555163678 0.12500000000000 6.941 > 1 4 Li 0.00000000000000 0.62457555163678 0.12500000000000 6.941 > 1 5 Li 0.33333333333333 0.62457555163678 0.12500000000000 6.941 > 1 6 Li 0.66666666666667 0.62457555163678 0.12500000000000 6.941 > 1 7 Li 0.00000000000000 0.12457555163678 0.62500000000000 6.941 > 1 8 Li 0.33333333333333 0.12457555163678 0.62500000000000 6.941 > 1 9 Li 0.66666666666667 0.12457555163678 0.62500000000000 6.941 > 1 10 Li 0.00000000000000 0.62457555163678 0.62500000000000 6.941 > 1 11 Li 0.33333333333333 0.62457555163678 0.62500000000000 6.941 > 1 12 Li 0.66666666666667 0.62457555163678 0.62500000000000 6.941 > 1 13 Li 0.00000000000000 0.37542444836322 0.37500000000000 6.941 > 13 14 Li 0.33333333333333 0.37542444836322 0.37500000000000 6.941 > 13 15 Li 0.66666666666667 0.37542444836322 0.37500000000000 6.941 > 13 16 Li 0.00000000000000 0.87542444836322 0.37500000000000 6.941 > 13 17 Li 0.33333333333333 0.87542444836322 0.37500000000000 6.941 > 13 18 Li 0.66666666666667 0.87542444836322 0.37500000000000 6.941 > 13 19 Li 0.00000000000000 0.37542444836322 0.87500000000000 6.941 > 13 20 Li 0.33333333333333 0.37542444836322 0.87500000000000 6.941 > 13 21 Li 0.66666666666667 0.37542444836322 0.87500000000000 6.941 > 13 22 Li 0.00000000000000 0.87542444836322 0.87500000000000 6.941 > 13 23 Li 0.33333333333333 0.87542444836322 0.87500000000000 6.941 > 13 24 Li 0.66666666666667 0.87542444836322 0.87500000000000 6.941 > 13 25 F 0.24593439658855 0.28204382142405 0.28225631753356 18.998 > 25 26 F 0.57926772992188 0.28204382142405 0.28225631753356 18.998 > 25 27 F 0.91260106325521 0.28204382142405 0.28225631753356 18.998 > 25 28 F 0.24593439658855 0.78204382142406 0.28225631753356 18.998 > 25 29 F 0.57926772992188 0.78204382142406 0.28225631753356 18.998 > 25 30 F 0.91260106325521 0.78204382142406 0.28225631753356 18.998 > 25 31 F 0.24593439658855 0.28204382142405 0.78225631753356 18.998 > 25 32 F 0.57926772992188 0.28204382142405 0.78225631753356 18.998 > 25 33 F 0.91260106325521 0.28204382142405 0.78225631753356 18.998 > 25 34 F 0.24593439658855 0.78204382142406 0.78225631753356 18.998 > 25 35 F 0.57926772992188 0.78204382142406 0.78225631753356 18.998 > 25 36 F 0.91260106325521 0.78204382142406 0.78225631753356 18.998 > 25 37 F 0.08739893674479 0.28204382142405 0.46774368246644 18.998 > 37 38 F 0.42073227007812 0.28204382142405 0.46774368246644 18.998 > 37 39 F 0.75406560341145 0.28204382142405 0.46774368246644 18.998 > 37 40 F 0.08739893674479 0.78204382142406 0.46774368246644 18.998 > 37 41 F 0.42073227007812 0.78204382142406 0.46774368246644 18.998 > 37 42 F 0.75406560341145 0.78204382142406 0.46774368246644 18.998 > 37 43 F 0.08739893674479 0.28204382142405 0.96774368246644 18.998 > 37 44 F 0.42073227007812 0.28204382142405 0.96774368246644 18.998 > 37 45 F 0.75406560341145 0.28204382142405 0.96774368246644 18.998 > 37 46 F 0.08739893674479 0.78204382142406 0.96774368246644 18.998 > 37 47 F 0.42073227007812 0.78204382142406 0.96774368246644 18.998 > 37 48 F 0.75406560341145 0.78204382142406 0.96774368246644 18.998 > 37 49 F 0.24597600956560 0.03194735617092 0.21826691668887 18.998 > 49 50 F 0.57930934289893 0.03194735617092 0.21826691668887 18.998 > 49 51 F 0.91264267623226 0.03194735617092 0.21826691668887 18.998 > 49 52 F 0.24597600956560 0.53194735617092 0.21826691668887 18.998 > 49 53 F 0.57930934289893 0.53194735617092 0.21826691668887 18.998 > 49 54 F 0.91264267623226 0.53194735617092 0.21826691668887 18.998 > 49 55 F 0.24597600956560 0.03194735617092 0.71826691668887 18.998 > 49 56 F 0.57930934289893 0.03194735617092 0.71826691668887 18.998 > 49 57 F 0.91264267623226 0.03194735617092 0.71826691668887 18.998 > 49 58 F 0.24597600956560 0.53194735617092 0.71826691668887 18.998 > 49 59 F 0.57930934289893 0.53194735617092 0.71826691668887 18.998 > 49 60 F 0.91264267623226 0.53194735617092 0.71826691668887 18.998 > 49 61 F 0.08735732376774 0.03194735617092 0.03173308331113 18.998 > 61 62 F 0.42069065710107 0.03194735617092 0.03173308331113 18.998 > 61 63 F 0.75402399043440 0.03194735617092 0.03173308331113 18.998 > 61 64 F 0.08735732376774 0.53194735617092 0.03173308331113 18.998 > 61 65 F 0.42069065710107 0.53194735617092 0.03173308331113 18.998 > 61 66 F 0.75402399043440 0.53194735617092 0.03173308331113 18.998 > 61 67 F 0.08735732376774 0.03194735617092 0.53173308331113 18.998 > 61 68 F 0.42069065710107 0.03194735617092 0.53173308331113 18.998 > 61 69 F 0.75402399043440 0.03194735617092 0.53173308331113 18.998 > 61 70 F 0.08735732376774 0.53194735617092 0.53173308331113 18.998 > 61 71 F 0.42069065710107 0.53194735617092 0.53173308331113 18.998 > 61 72 F 0.75402399043440 0.53194735617092 0.53173308331113 18.998 > 61 73 F 0.08735732376774 0.46805264382908 0.28173308331113 18.998 > 73 74 F 0.42069065710107 0.46805264382908 0.28173308331113 18.998 > 73 75 F 0.75402399043440 0.46805264382908 0.28173308331113 18.998 > 73 76 F 0.08735732376774 0.96805264382908 0.28173308331113 18.998 > 73 77 F 0.42069065710107 0.96805264382908 0.28173308331113 18.998 > 73 78 F 0.75402399043440 0.96805264382908 0.28173308331113 18.998 > 73 79 F 0.08735732376774 0.46805264382908 0.78173308331113 18.998 > 73 80 F 0.42069065710107 0.46805264382908 0.78173308331113 18.998 > 73 81 F 0.75402399043440 0.46805264382908 0.78173308331113 18.998 > 73 82 F 0.08735732376774 0.96805264382908 0.78173308331113 18.998 > 73 83 F 0.42069065710107 0.96805264382908 0.78173308331113 18.998 > 73 84 F 0.75402399043440 0.96805264382908 0.78173308331113 18.998 > 73 85 F 0.24597600956560 0.46805264382908 0.46826691668887 18.998 > 85 86 F 0.57930934289893 0.46805264382908 0.46826691668887 18.998 > 85 87 F 0.91264267623226 0.46805264382908 0.46826691668887 18.998 > 85 88 F 0.24597600956560 0.96805264382908 0.46826691668887 18.998 > 85 89 F 0.57930934289893 0.96805264382908 0.46826691668887 18.998 > 85 90 F 0.91264267623226 0.96805264382908 0.46826691668887 18.998 > 85 91 F 0.24597600956560 0.46805264382908 0.96826691668887 18.998 > 85 92 F 0.57930934289893 0.46805264382908 0.96826691668887 18.998 > 85 93 F 0.91264267623226 0.46805264382908 0.96826691668887 18.998 > 85 94 F 0.24597600956560 0.96805264382908 0.96826691668887 18.998 > 85 95 F 0.57930934289893 0.96805264382908 0.96826691668887 18.998 > 85 96 F 0.91264267623226 0.96805264382908 0.96826691668887 18.998 > 85 97 F 0.24593439658855 0.21795617857594 0.03225631753356 18.998 > 97 98 F 0.57926772992188 0.21795617857594 0.03225631753356 18.998 > 97 99 F 0.91260106325521 0.21795617857594 0.03225631753356 18.998 > 97 100 F 0.24593439658855 0.71795617857594 0.03225631753356 18.998 > 97 101 F 0.57926772992188 0.71795617857594 0.03225631753356 18.998 > 97 102 F 0.91260106325521 0.71795617857594 0.03225631753356 18.998 > 97 103 F 0.24593439658855 0.21795617857594 0.53225631753356 18.998 > 97 104 F 0.57926772992188 0.21795617857594 0.53225631753356 18.998 > 97 105 F 0.91260106325521 0.21795617857594 0.53225631753356 18.998 > 97 106 F 0.24593439658855 0.71795617857594 0.53225631753356 18.998 > 97 107 F 0.57926772992188 0.71795617857594 0.53225631753356 18.998 > 97 108 F 0.91260106325521 0.71795617857594 0.53225631753356 18.998 > 97 109 F 0.08739893674479 0.21795617857594 0.21774368246644 18.998 > 109 110 F 0.42073227007812 0.21795617857594 0.21774368246644 18.998 > 109 111 F 0.75406560341145 0.21795617857594 0.21774368246644 18.998 > 109 112 F 0.08739893674479 0.71795617857594 0.21774368246644 18.998 > 109 113 F 0.42073227007812 0.71795617857594 0.21774368246644 18.998 > 109 114 F 0.75406560341145 0.71795617857594 0.21774368246644 18.998 > 109 115 F 0.08739893674479 0.21795617857594 0.71774368246644 18.998 > 109 116 F 0.42073227007812 0.21795617857594 0.71774368246644 18.998 > 109 117 F 0.75406560341145 0.21795617857594 0.71774368246644 18.998 > 109 118 F 0.08739893674479 0.71795617857594 0.71774368246644 18.998 > 109 119 F 0.42073227007812 0.71795617857594 0.71774368246644 18.998 > 109 120 F 0.75406560341145 0.71795617857594 0.71774368246644 18.998 > 109 121 Y 0.16666666666667 0.12505957694713 0.37500000000000 88.906 > 121 122 Y 0.50000000000000 0.12505957694713 0.37500000000000 88.906 > 121 123 Y 0.83333333333333 0.12505957694713 0.37500000000000 88.906 > 121 124 Y 0.16666666666667 0.62505957694713 0.37500000000000 88.906 > 121 125 Y 0.50000000000000 0.62505957694713 0.37500000000000 88.906 > 121 126 Y 0.83333333333333 0.62505957694713 0.37500000000000 88.906 > 121 127 Y 0.16666666666667 0.12505957694713 0.87500000000000 88.906 > 121 128 Y 0.50000000000000 0.12505957694713 0.87500000000000 88.906 > 121 129 Y 0.83333333333333 0.12505957694713 0.87500000000000 88.906 > 121 130 Y 0.16666666666667 0.62505957694713 0.87500000000000 88.906 > 121 131 Y 0.50000000000000 0.62505957694713 0.87500000000000 88.906 > 121 132 Y 0.83333333333333 0.62505957694713 0.87500000000000 88.906 > 121 133 Y 0.16666666666667 0.37494042305287 0.12500000000000 88.906 > 133 134 Y 0.50000000000000 0.37494042305287 0.12500000000000 88.906 > 133 135 Y 0.83333333333333 0.37494042305287 0.12500000000000 88.906 > 133 136 Y 0.16666666666667 0.87494042305287 0.12500000000000 88.906 > 133 137 Y 0.50000000000000 0.87494042305287 0.12500000000000 88.906 > 133 138 Y 0.83333333333333 0.87494042305287 0.12500000000000 88.906 > 133 139 Y 0.16666666666667 0.37494042305287 0.62500000000000 88.906 > 133 140 Y 0.50000000000000 0.37494042305287 0.62500000000000 88.906 > 133 141 Y 0.83333333333333 0.37494042305287 0.62500000000000 88.906 > 133 142 Y 0.16666666666667 0.87494042305287 0.62500000000000 88.906 > 133 143 Y 0.50000000000000 0.87494042305287 0.62500000000000 88.906 > 133 144 Y 0.83333333333333 0.87494042305287 0.62500000000000 88.906 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2292516 0.0000000 -0.0002468 0.0000000 2.4636007 0.0000000 -0.0002465 0.0000000 2.4635474 -------------------------- Born effective charges -------------------------- 1 Li 1.3311997 0.0000000 0.0008611 0.0000000 1.0077189 0.0000000 0.0006439 0.0000000 1.0076971 2 Li 1.3311997 0.0000000 0.0008611 0.0000000 1.0077189 0.0000000 0.0006439 0.0000000 1.0076971 3 F -1.0363027 -0.1045952 -0.1029237 -0.1029123 -1.2376657 0.3551712 -0.1010634 0.3553753 -1.2374434 4 F -1.0363027 0.1045952 -0.1029237 0.1029123 -1.2376657 -0.3551712 -0.1010634 -0.3553753 -1.2374434 5 F -1.0378009 -0.1017185 0.1034899 -0.0997521 -1.2370058 -0.3550141 0.1017165 -0.3548549 -1.2371551 6 F -1.0378009 0.1017185 0.1034899 0.0997521 -1.2370058 0.3550141 0.1017165 0.3548549 -1.2371551 7 F -1.0378009 -0.1017185 0.1034899 -0.0997521 -1.2370058 -0.3550141 0.1017165 -0.3548549 -1.2371551 8 F -1.0378009 0.1017185 0.1034899 0.0997521 -1.2370058 0.3550141 0.1017165 0.3548549 -1.2371551 9 F -1.0363027 0.1045952 -0.1029237 0.1029123 -1.2376657 -0.3551712 -0.1010634 -0.3553753 -1.2374434 10 F -1.0363027 -0.1045952 -0.1029237 -0.1029123 -1.2376657 0.3551712 -0.1010634 0.3553753 -1.2374434 11 Y 2.8170075 0.0000000 -0.0019934 0.0000000 3.9416241 0.0000000 -0.0019500 0.0000000 3.9414999 12 Y 2.8170075 0.0000000 -0.0019934 0.0000000 3.9416241 0.0000000 -0.0019500 0.0000000 3.9414999 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) 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 ... [ 10 10 10 ] 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: 0.80, Number of G-points: 289, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/312) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 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 3.870 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 7.388 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.573 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 9.559 ( 0.000 0.000 0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 10.217 ( 0.000 0.000 0.000) 0.000 10.261 ( 0.000 0.000 0.000) 0.000 10.262 ( 0.000 0.000 0.000) 0.000 10.541 ( 0.000 0.000 0.000) 0.000 10.850 ( 0.000 0.000 0.000) 0.000 10.850 ( 0.000 0.000 0.000) 0.000 11.214 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 12.843 ( 0.000 0.000 0.000) 0.000 12.913 ( 0.000 0.000 0.000) 0.000 12.916 ( 0.000 0.000 0.000) 0.000 13.554 ( 0.000 0.000 0.000) 0.000 13.846 ( 0.000 0.000 0.000) 0.000 14.081 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/312) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( 12.243 0.000 -0.941) 12.279 0.250 ( 12.276 0.000 -8.480) 14.920 1.098 ( 54.055 0.000 -2.522) 54.114 3.923 ( 5.127 0.000 -0.613) 5.164 4.103 ( -0.248 0.000 0.694) 0.737 4.103 ( -0.249 0.000 0.224) 0.335 4.684 ( 8.076 0.000 1.288) 8.178 4.685 ( 8.078 0.000 -0.276) 8.083 5.482 ( 3.165 0.000 -0.066) 3.166 6.192 ( 9.211 0.000 0.118) 9.211 6.192 ( 9.195 0.000 0.309) 9.200 6.326 ( -2.094 0.000 -0.190) 2.103 6.334 ( -2.614 0.000 0.200) 2.622 6.770 ( 0.379 0.000 -1.380) 1.431 7.388 ( 0.221 0.000 -0.427) 0.481 7.389 ( 0.215 0.000 -0.390) 0.445 7.441 ( -0.403 0.000 1.063) 1.137 7.561 ( -1.556 0.000 -0.175) 1.565 9.554 ( -0.384 0.000 0.685) 0.786 9.555 ( -0.401 0.000 -1.056) 1.129 10.247 ( 1.514 0.000 -2.558) 2.973 10.250 ( -1.441 0.000 0.522) 1.533 10.252 ( 0.151 0.000 4.355) 4.358 10.486 ( -4.568 0.000 0.178) 4.572 10.734 ( -10.293 0.000 0.418) 10.302 10.735 ( -10.296 0.000 -0.456) 10.306 11.332 ( 10.905 0.000 -0.115) 10.906 11.533 ( 5.728 0.000 -0.736) 5.775 11.533 ( 5.739 0.000 0.840) 5.800 11.578 ( -17.906 0.000 0.341) 17.909 12.865 ( -4.681 0.000 0.406) 4.699 12.866 ( -4.577 0.000 0.460) 4.600 12.986 ( 11.683 0.000 -0.635) 11.700 13.523 ( -3.038 0.000 -0.726) 3.124 13.807 ( -3.915 0.000 0.556) 3.955 17.658 ( -0.233 0.000 0.040) 0.237 ======================= Grid point 2 (3/312) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 10.845 0.000 -0.671) 10.866 0.482 ( 10.866 0.000 -8.706) 13.924 2.125 ( 48.554 0.000 -2.289) 48.608 4.058 ( 7.901 0.000 0.134) 7.902 4.087 ( -1.338 0.000 0.798) 1.558 4.088 ( -1.313 0.000 -0.803) 1.539 4.911 ( 14.174 0.000 1.344) 14.238 4.912 ( 14.174 0.000 -0.148) 14.175 5.570 ( 5.517 0.000 -0.060) 5.517 6.267 ( -3.637 0.000 0.578) 3.682 6.284 ( -1.683 0.000 0.348) 1.719 6.427 ( 12.869 0.000 0.279) 12.872 6.427 ( 12.850 0.000 -0.506) 12.860 6.780 ( 0.634 0.000 -2.357) 2.441 7.420 ( 4.127 0.000 -1.690) 4.459 7.421 ( 4.122 0.000 -0.225) 4.128 7.430 ( -0.660 0.000 1.983) 2.090 7.497 ( -5.115 0.000 0.440) 5.134 9.544 ( -0.612 0.000 1.193) 1.341 9.544 ( -0.638 0.000 -1.742) 1.855 10.160 ( -9.702 0.000 -0.506) 9.716 10.161 ( -9.720 0.000 1.542) 9.842 10.335 ( 5.335 0.000 1.394) 5.514 10.392 ( -4.448 0.000 0.513) 4.477 10.517 ( -8.936 0.000 0.745) 8.967 10.518 ( -8.916 0.000 -0.710) 8.944 11.153 ( -23.404 0.000 0.118) 23.405 11.609 ( 16.266 0.000 -1.208) 16.311 11.662 ( 6.777 0.000 -0.279) 6.782 11.662 ( 6.814 0.000 2.310) 7.195 12.735 ( -8.089 0.000 0.563) 8.109 12.736 ( -8.105 0.000 -0.073) 8.106 13.238 ( 12.472 0.000 -0.318) 12.476 13.439 ( -5.187 0.000 -1.254) 5.336 13.691 ( -7.668 0.000 0.933) 7.724 17.652 ( -0.391 0.000 0.706) 0.807 ======================= Grid point 3 (4/312) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 8.349 0.000 -0.368) 8.357 0.675 ( 8.360 0.000 -7.541) 11.259 2.998 ( 38.277 0.000 -1.808) 38.320 4.053 ( -1.914 0.000 0.596) 2.004 4.053 ( -1.922 0.000 0.344) 1.953 4.217 ( 7.518 0.000 -0.982) 7.582 5.217 ( 15.706 0.000 1.416) 15.770 5.218 ( 15.705 0.000 0.125) 15.706 5.687 ( 5.645 0.000 -0.142) 5.647 6.192 ( -3.524 0.000 0.414) 3.548 6.285 ( 1.989 0.000 0.375) 2.024 6.624 ( 5.386 0.000 0.478) 5.407 6.624 ( 5.372 0.000 -0.439) 5.390 6.794 ( 0.668 0.000 -2.719) 2.800 7.355 ( -8.800 0.000 -0.977) 8.854 7.416 ( -0.700 0.000 1.869) 1.996 7.613 ( 16.311 0.000 -0.851) 16.333 7.614 ( 16.300 0.000 0.565) 16.310 9.531 ( -0.637 0.000 -1.765) 1.877 9.532 ( -0.616 0.000 1.259) 1.402 9.829 ( -22.101 0.000 -0.463) 22.106 9.830 ( -22.119 0.000 1.300) 22.157 10.319 ( -2.809 0.000 0.587) 2.870 10.425 ( -1.618 0.000 0.285) 1.643 10.425 ( -1.599 0.000 -0.283) 1.623 10.450 ( 5.799 0.000 1.580) 6.010 10.691 ( -21.970 0.000 0.197) 21.971 11.796 ( 6.717 0.000 -0.111) 6.718 11.796 ( 6.730 0.000 0.108) 6.731 11.956 ( 17.994 0.000 0.971) 18.021 12.557 ( -9.455 0.000 -0.158) 9.457 12.558 ( -9.435 0.000 0.392) 9.443 13.328 ( -5.597 0.000 -1.372) 5.763 13.457 ( 9.317 0.000 -0.303) 9.322 13.506 ( -10.752 0.000 1.009) 10.799 17.644 ( -0.408 0.000 0.826) 0.921 ======================= Grid point 4 (5/312) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 4.620 0.000 -0.142) 4.622 0.805 ( 4.623 0.000 -4.444) 6.413 3.607 ( 21.950 0.000 -1.003) 21.973 4.019 ( -1.381 0.000 0.117) 1.385 4.019 ( -1.374 0.000 0.289) 1.404 4.340 ( 4.455 0.000 -0.490) 4.482 5.496 ( 11.265 0.000 1.058) 11.315 5.497 ( 11.262 0.000 0.218) 11.265 5.769 ( 2.183 0.000 -0.239) 2.196 6.146 ( -0.761 0.000 0.308) 0.821 6.356 ( 4.418 0.000 0.295) 4.428 6.647 ( -1.636 0.000 0.286) 1.661 6.647 ( -1.647 0.000 -0.326) 1.679 6.805 ( 0.428 0.000 -1.876) 1.924 7.172 ( -8.590 0.000 -0.507) 8.605 7.404 ( -0.449 0.000 1.218) 1.298 8.044 ( 25.045 0.000 -1.254) 25.076 8.045 ( 25.048 0.000 0.727) 25.059 9.338 ( -25.908 0.000 -0.539) 25.914 9.338 ( -25.910 0.000 1.272) 25.941 9.521 ( -0.413 0.000 -1.171) 1.242 9.522 ( -0.409 0.000 0.888) 0.978 10.279 ( -1.247 0.000 0.242) 1.270 10.322 ( -13.938 0.000 0.690) 13.955 10.412 ( -0.141 0.000 -0.497) 0.516 10.412 ( -0.132 0.000 0.177) 0.221 10.550 ( 3.875 0.000 0.961) 3.992 11.926 ( 6.113 0.000 0.016) 6.113 11.927 ( 6.119 0.000 0.252) 6.124 12.297 ( 15.178 0.000 0.857) 15.202 12.377 ( -8.164 0.000 -0.130) 8.165 12.377 ( -8.119 0.000 -0.360) 8.127 13.232 ( -3.718 0.000 -0.923) 3.831 13.280 ( -11.126 0.000 0.732) 11.150 13.600 ( 4.897 0.000 -0.202) 4.901 17.637 ( -0.261 0.000 0.535) 0.595 ======================= Grid point 5 (6/312) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.000 0.000 -0.000) 0.000 0.852 ( 0.000 0.000 -0.000) 0.000 3.832 ( 0.000 0.000 -0.000) 0.000 4.004 ( 0.000 0.000 -0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 -0.000) 0.000 5.618 ( 0.000 0.000 -0.000) 0.000 5.618 ( 0.000 0.000 -0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 -0.000) 0.000 6.620 ( 0.000 0.000 -0.000) 0.000 6.620 ( 0.000 0.000 -0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.399 ( 0.000 0.000 -0.000) 0.000 8.421 ( -0.000 0.000 0.000) 0.000 8.422 ( -0.000 0.000 -0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 8.957 ( 0.000 0.000 -0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 9.518 ( 0.000 0.000 -0.000) 0.000 10.177 ( 0.000 0.000 -0.000) 0.000 10.267 ( 0.000 0.000 -0.000) 0.000 10.411 ( 0.000 0.000 0.000) 0.000 10.412 ( 0.000 0.000 0.000) 0.000 10.591 ( 0.000 0.000 0.000) 0.000 12.004 ( 0.000 0.000 0.000) 0.000 12.005 ( 0.000 0.000 -0.000) 0.000 12.277 ( 0.000 0.000 0.000) 0.000 12.278 ( 0.000 0.000 0.000) 0.000 12.478 ( 0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 -0.000) 0.000 13.193 ( 0.000 0.000 -0.000) 0.000 13.649 ( 0.000 0.000 -0.000) 0.000 17.634 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 11 (7/312) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 0.000 17.948 0.000) 17.948 0.779 ( 0.000 40.663 0.000) 40.663 1.245 ( 0.000 64.786 0.000) 64.786 3.671 ( 0.000 -17.162 0.000) 17.162 4.142 ( 0.000 4.071 0.000) 4.071 4.170 ( 0.000 5.610 0.000) 5.610 4.733 ( 0.000 12.458 0.000) 12.458 4.796 ( 0.000 16.355 0.000) 16.355 5.470 ( 0.000 -0.493 0.000) 0.493 6.004 ( 0.000 -8.849 0.000) 8.849 6.052 ( 0.000 -4.279 0.000) 4.279 6.244 ( 0.000 -9.808 0.000) 9.808 6.399 ( 0.000 3.021 0.000) 3.021 6.830 ( 0.000 6.522 0.000) 6.522 7.177 ( 0.000 -13.608 0.000) 13.608 7.544 ( 0.000 9.854 0.000) 9.854 7.817 ( 0.000 16.893 0.000) 16.893 8.024 ( 0.000 13.155 0.000) 13.155 9.476 ( 0.000 -8.894 0.000) 8.894 9.547 ( 0.000 -1.447 0.000) 1.447 9.827 ( 0.000 -0.746 0.000) 0.746 10.139 ( 0.000 -6.640 0.000) 6.640 10.281 ( 0.000 0.393 0.000) 0.393 10.410 ( 0.000 -10.054 0.000) 10.054 10.696 ( 0.000 1.887 0.000) 1.887 10.936 ( 0.000 -18.608 0.000) 18.608 10.990 ( 0.000 11.367 0.000) 11.367 11.428 ( 0.000 -4.077 0.000) 4.077 11.722 ( 0.000 16.503 0.000) 16.503 12.616 ( 0.000 -23.774 0.000) 23.774 12.825 ( 0.000 -2.120 0.000) 2.120 12.861 ( 0.000 -5.394 0.000) 5.394 13.831 ( 0.000 21.831 0.000) 21.831 13.839 ( 0.000 -0.732 0.000) 0.732 14.054 ( 0.000 -2.704 0.000) 2.704 16.268 ( 0.000 -3.900 0.000) 3.900 ======================= Grid point 12 (8/312) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 4.256 39.031 -2.595) 39.348 0.989 ( 32.418 17.157 -3.250) 36.822 1.359 ( 19.762 47.751 0.240) 51.679 3.715 ( 4.235 -16.741 -0.373) 17.273 4.180 ( 3.164 5.327 0.510) 6.217 4.230 ( 3.697 7.849 0.365) 8.684 4.594 ( -4.468 3.241 0.051) 5.520 4.836 ( 4.526 13.572 0.738) 14.326 5.663 ( 11.930 8.008 -0.321) 14.372 6.060 ( 3.960 -11.872 0.221) 12.517 6.136 ( 7.408 -4.898 -0.124) 8.881 6.260 ( 2.973 -6.858 0.035) 7.475 6.377 ( -1.333 3.164 0.227) 3.441 6.831 ( 0.677 6.536 -1.324) 6.703 7.187 ( 1.097 -12.669 -0.169) 12.718 7.542 ( -0.253 9.979 0.992) 10.032 7.790 ( -12.787 26.046 -5.767) 29.583 7.800 ( -1.999 16.705 5.190) 17.606 9.474 ( -0.165 -8.725 0.665) 8.752 9.554 ( 0.608 -0.268 -1.091) 1.277 10.041 ( 12.091 -11.302 0.377) 16.555 10.151 ( 0.720 -6.904 -0.101) 6.942 10.287 ( -0.105 -0.313 0.230) 0.402 10.311 ( -7.406 -11.383 0.048) 13.580 10.584 ( -10.669 -1.755 0.256) 10.815 10.908 ( -5.694 11.023 0.403) 12.413 11.086 ( 11.225 -14.598 0.281) 18.417 11.481 ( 4.559 -3.209 0.430) 5.592 11.773 ( 4.882 15.357 -0.267) 16.116 12.314 ( -48.452 23.021 0.401) 53.644 12.585 ( -3.075 -22.667 -0.263) 22.876 12.813 ( -5.849 -3.869 0.396) 7.024 13.291 ( -7.867 27.005 0.141) 28.128 13.750 ( -6.256 9.264 -0.213) 11.181 13.834 ( -2.272 10.821 0.195) 11.059 17.076 ( 29.576 -38.349 0.173) 48.430 ======================= Grid point 13 (9/312) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 6.292 35.710 -3.916) 36.470 1.245 ( 5.731 51.862 -1.455) 52.198 2.139 ( 44.806 3.702 -1.695) 44.990 3.827 ( 6.535 -15.009 -0.314) 16.373 4.234 ( 1.673 7.211 0.436) 7.416 4.244 ( -1.737 14.333 0.368) 14.443 4.663 ( 9.503 -14.252 -0.251) 17.132 4.995 ( 11.426 8.107 1.285) 14.068 5.876 ( 9.812 18.432 0.039) 20.881 6.077 ( -2.037 -14.266 0.425) 14.417 6.243 ( 1.372 -4.035 0.257) 4.270 6.415 ( 11.002 -3.402 -4.823) 12.485 6.430 ( 7.797 -0.533 4.399) 8.968 6.875 ( 3.939 8.026 -2.386) 9.254 7.234 ( 4.101 -9.660 0.027) 10.494 7.531 ( -1.189 10.868 1.624) 11.053 7.631 ( -2.953 19.185 -1.724) 19.487 7.742 ( -3.558 15.702 0.802) 16.120 9.471 ( -0.155 -8.205 1.068) 8.276 9.570 ( 0.935 2.436 -1.793) 3.166 10.072 ( -11.669 -8.967 -0.318) 14.720 10.159 ( -3.511 -2.993 0.285) 4.623 10.175 ( -2.812 -8.852 1.254) 9.372 10.328 ( -10.016 -10.922 0.841) 14.843 10.336 ( 3.587 -0.761 -0.322) 3.681 10.776 ( -6.493 15.507 0.518) 16.819 11.350 ( 14.188 -14.732 0.946) 20.475 11.433 ( -25.458 17.467 -0.476) 30.878 11.658 ( -1.464 1.442 0.841) 2.220 11.904 ( 8.054 12.967 0.060) 15.265 12.503 ( -4.927 -19.146 -0.385) 19.774 12.673 ( -8.062 -5.456 0.504) 9.748 13.358 ( 7.464 10.280 -0.135) 12.704 13.594 ( -9.148 5.060 -0.407) 10.462 13.747 ( -6.358 12.176 0.341) 13.740 17.384 ( 6.965 -24.725 0.642) 25.695 ======================= Grid point 14 (10/312) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 5.900 32.745 -3.587) 33.465 1.348 ( 4.825 51.402 -1.474) 51.649 2.960 ( 36.342 -2.813 -1.508) 36.482 3.951 ( 5.346 -9.775 0.056) 11.142 4.198 ( -2.227 13.851 0.228) 14.031 4.255 ( 0.742 3.484 -0.153) 3.565 4.890 ( 12.029 -19.828 -0.063) 23.192 5.264 ( 14.524 4.711 1.407) 15.334 5.987 ( -2.706 -14.342 0.828) 14.619 6.080 ( 6.402 21.997 -0.257) 22.911 6.267 ( 2.439 -2.037 0.451) 3.210 6.549 ( 2.447 -7.648 -2.206) 8.328 6.616 ( 7.925 -0.611 1.330) 8.059 6.969 ( 3.832 13.893 -2.262) 14.588 7.325 ( 1.540 -1.975 -0.392) 2.535 7.497 ( -1.391 9.382 1.396) 9.587 7.702 ( 10.804 9.188 -3.277) 14.557 7.733 ( 6.996 10.559 2.977) 13.012 9.466 ( -0.571 -7.849 0.939) 7.926 9.589 ( 0.830 5.544 -1.889) 5.915 9.768 ( -18.086 -4.221 -0.079) 18.572 9.824 ( -23.076 -0.511 1.161) 23.111 10.117 ( -2.970 -11.271 0.459) 11.665 10.294 ( 0.451 -8.180 -0.261) 8.196 10.429 ( 5.129 -1.916 0.953) 5.558 10.678 ( -3.234 15.340 0.588) 15.688 10.898 ( -23.824 16.079 0.405) 28.745 11.622 ( 12.421 -12.395 -0.176) 17.548 11.753 ( 6.055 -4.328 0.935) 7.502 12.085 ( 9.410 6.037 0.300) 11.184 12.408 ( -3.619 -10.790 -0.322) 11.386 12.502 ( -8.873 -5.331 0.260) 10.355 13.399 ( -10.021 -0.170 -0.554) 10.038 13.507 ( 6.824 4.192 -0.102) 8.010 13.590 ( -9.129 13.433 0.290) 16.244 17.461 ( 1.855 -18.258 0.748) 18.367 ======================= Grid point 15 (11/312) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 3.556 30.896 -2.087) 31.170 1.429 ( 3.036 49.919 -1.035) 50.022 3.534 ( 20.234 -5.855 -0.820) 21.080 4.023 ( 1.862 -0.640 0.252) 1.985 4.167 ( -0.636 13.469 0.019) 13.484 4.277 ( 1.354 -5.155 -0.311) 5.339 5.103 ( 8.545 -22.169 0.008) 23.759 5.526 ( 10.612 2.913 0.984) 11.048 5.914 ( -3.243 -19.461 0.411) 19.734 6.183 ( 2.838 22.842 0.012) 23.017 6.346 ( 4.871 -1.070 0.338) 4.998 6.535 ( -2.539 -10.680 -0.886) 11.013 6.746 ( 5.587 7.699 0.339) 9.519 6.983 ( -1.796 16.876 -1.476) 17.035 7.240 ( -7.116 5.875 -0.641) 9.250 7.480 ( -0.489 7.904 1.128) 7.999 8.044 ( 21.051 -0.054 -0.429) 21.055 8.066 ( 22.836 2.470 0.013) 22.969 9.319 ( -19.909 -2.531 -1.399) 20.118 9.325 ( -24.821 -1.635 1.848) 24.944 9.504 ( -2.286 -0.370 1.088) 2.559 9.608 ( 0.499 9.042 -1.080) 9.120 10.067 ( -1.847 -13.604 0.029) 13.729 10.277 ( -2.688 -1.828 -0.170) 3.255 10.521 ( 3.716 -2.375 0.079) 4.411 10.534 ( -11.496 9.806 1.517) 15.186 10.637 ( -1.192 13.703 -0.140) 13.755 11.830 ( 8.264 -8.527 -0.635) 11.892 11.869 ( 5.316 -5.768 1.081) 7.918 12.179 ( -1.412 -11.462 0.264) 11.552 12.336 ( -7.247 -4.072 0.049) 8.313 12.449 ( 8.217 6.763 -0.157) 10.643 13.210 ( -8.529 -4.914 -0.238) 9.846 13.409 ( -8.016 14.610 0.103) 16.665 13.616 ( 3.832 1.124 -0.158) 3.996 17.481 ( 0.453 -15.919 0.487) 15.933 ======================= Grid point 16 (12/312) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 30.281 -0.000) 30.281 1.461 ( 0.000 49.386 -0.000) 49.386 3.736 ( 0.000 -6.703 -0.000) 6.703 4.038 ( 0.000 3.480 0.000) 3.480 4.166 ( 0.000 13.274 -0.000) 13.274 4.294 ( 0.000 -9.157 0.000) 9.157 5.194 ( 0.000 -22.524 0.000) 22.524 5.640 ( 0.000 2.132 0.000) 2.132 5.880 ( 0.000 -21.281 0.000) 21.281 6.205 ( 0.000 20.813 0.000) 20.813 6.409 ( 0.000 -0.308 -0.000) 0.308 6.500 ( 0.000 -11.395 0.000) 11.395 6.817 ( 0.000 14.018 0.000) 14.018 6.948 ( -0.000 15.178 0.000) 15.178 7.151 ( 0.000 6.834 -0.000) 6.834 7.475 ( 0.000 7.794 0.000) 7.794 8.339 ( -0.000 -7.945 -0.000) 7.945 8.420 ( -0.000 0.342 -0.000) 0.342 8.951 ( 0.000 -0.717 -0.000) 0.717 9.038 ( 0.000 7.686 -0.000) 7.686 9.493 ( 0.000 -2.042 -0.000) 2.042 9.614 ( 0.000 9.933 -0.000) 9.933 10.049 ( 0.000 -14.601 -0.000) 14.601 10.227 ( 0.000 5.521 -0.000) 5.521 10.436 ( 0.000 2.439 -0.000) 2.439 10.563 ( 0.000 -2.912 0.000) 2.912 10.624 ( 0.000 13.407 -0.000) 13.407 11.926 ( 0.000 -7.058 0.000) 7.058 11.934 ( 0.000 -7.081 -0.000) 7.081 12.139 ( 0.000 -11.546 0.000) 11.546 12.251 ( 0.000 -2.750 0.000) 2.750 12.570 ( 0.000 6.784 -0.000) 6.784 13.105 ( 0.000 -5.548 0.000) 5.548 13.320 ( 0.000 14.083 0.000) 14.083 13.654 ( 0.000 0.160 0.000) 0.160 17.485 ( 0.000 -15.330 -0.000) 15.330 ======================= Grid point 22 (13/312) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 23.291 0.000) 23.291 1.539 ( 0.000 39.237 0.000) 39.237 2.447 ( 0.000 61.340 0.000) 61.340 3.306 ( 0.000 -20.367 0.000) 20.367 4.255 ( 0.000 7.699 0.000) 7.699 4.258 ( 0.000 2.426 0.000) 2.426 5.075 ( 0.000 22.249 0.000) 22.249 5.125 ( 0.000 16.946 0.000) 16.946 5.458 ( 0.000 -1.059 0.000) 1.059 5.804 ( 0.000 -10.800 0.000) 10.800 5.946 ( 0.000 -6.834 0.000) 6.834 6.028 ( 0.000 -11.390 0.000) 11.390 6.454 ( 0.000 2.171 0.000) 2.171 6.934 ( 0.000 -11.764 0.000) 11.764 7.002 ( 0.000 11.129 0.000) 11.129 7.791 ( 0.000 15.549 0.000) 15.549 8.148 ( 0.000 17.476 0.000) 17.476 8.343 ( 0.000 19.372 0.000) 19.372 9.211 ( 0.000 -18.923 0.000) 18.923 9.493 ( 0.000 -4.553 0.000) 4.553 9.821 ( 0.000 0.411 0.000) 0.411 9.965 ( 0.000 -11.945 0.000) 11.945 10.237 ( 0.000 -6.957 0.000) 6.957 10.266 ( 0.000 -1.963 0.000) 1.963 10.601 ( 0.000 -16.408 0.000) 16.408 10.750 ( 0.000 3.785 0.000) 3.785 11.225 ( 0.000 12.895 0.000) 12.895 11.309 ( 0.000 -8.453 0.000) 8.453 12.005 ( 0.000 12.557 0.000) 12.557 12.141 ( 0.000 -24.373 0.000) 24.373 12.715 ( 0.000 -9.669 0.000) 9.669 12.769 ( 0.000 -3.726 0.000) 3.726 13.820 ( 0.000 -1.174 0.000) 1.174 13.985 ( 0.000 -4.312 0.000) 4.312 14.264 ( 0.000 22.870 0.000) 22.870 16.158 ( 0.000 -7.681 0.000) 7.681 ======================= Grid point 23 (14/312) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 38.136 11.917 -2.236) 40.017 1.571 ( 3.041 39.037 -1.225) 39.175 2.457 ( 1.533 59.145 -0.103) 59.165 3.365 ( 5.692 -19.362 -0.037) 20.181 4.298 ( 3.655 7.209 0.455) 8.096 4.302 ( 4.405 0.375 0.283) 4.430 4.834 ( -13.745 17.875 0.282) 22.550 5.119 ( 0.394 14.958 0.402) 14.969 5.702 ( 7.839 -9.643 0.211) 12.429 5.886 ( 12.964 1.432 0.182) 13.044 6.022 ( 6.421 -7.127 -2.690) 9.963 6.099 ( 7.483 -8.504 1.638) 11.445 6.420 ( -2.613 0.842 0.397) 2.774 6.968 ( 3.502 -10.178 -0.011) 10.763 7.003 ( 0.616 11.159 -1.304) 11.252 7.790 ( -0.113 15.553 0.855) 15.577 8.125 ( -2.354 17.282 -1.323) 17.492 8.243 ( -8.688 22.241 0.858) 23.893 9.214 ( 0.281 -18.420 0.474) 18.428 9.531 ( 3.550 -2.580 -0.982) 4.497 9.910 ( 7.508 -3.267 -0.242) 8.192 9.979 ( 1.006 -11.334 0.011) 11.379 10.110 ( -9.499 -8.100 -0.071) 12.484 10.272 ( 0.699 -2.204 0.227) 2.323 10.591 ( -14.093 1.140 0.302) 14.142 10.758 ( 12.395 -14.997 0.417) 19.461 11.184 ( -3.788 13.132 0.549) 13.678 11.394 ( 6.749 -5.830 0.361) 8.926 12.031 ( 1.794 7.658 -0.070) 7.865 12.142 ( 0.857 -18.662 -0.429) 18.686 12.442 ( -24.709 -2.673 0.327) 24.855 12.741 ( -6.496 -3.291 -0.077) 7.283 13.666 ( -16.461 10.390 0.806) 19.482 13.755 ( -6.487 -1.724 -0.106) 6.713 14.225 ( -3.905 22.512 -0.223) 22.849 16.500 ( 22.959 -23.603 0.175) 32.928 ======================= Grid point 24 (15/312) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 4.675 38.505 -1.947) 38.836 1.921 ( 30.995 13.870 -2.518) 34.050 2.558 ( 11.151 45.254 -0.199) 46.608 3.518 ( 9.228 -17.051 -0.054) 19.388 4.359 ( 1.455 6.460 0.620) 6.650 4.426 ( 7.744 -4.236 0.288) 8.831 4.626 ( -7.427 16.622 0.186) 18.207 5.186 ( 7.034 11.336 0.720) 13.360 5.707 ( -3.287 -19.604 0.700) 19.890 6.133 ( 3.614 -7.792 -0.971) 8.644 6.229 ( 17.028 12.689 -0.346) 21.239 6.313 ( 12.532 -4.156 -0.985) 13.240 6.385 ( -0.674 -4.504 1.644) 4.841 7.056 ( 5.576 11.144 -2.425) 12.695 7.087 ( 8.777 -5.987 0.047) 10.625 7.788 ( -0.162 15.594 1.546) 15.671 8.046 ( -7.028 19.386 -16.270) 26.266 8.060 ( -6.937 20.030 15.469) 26.241 9.222 ( 0.481 -17.401 0.638) 17.419 9.621 ( 5.113 2.419 -1.615) 5.882 9.910 ( -9.191 -6.461 0.129) 11.236 9.988 ( -1.763 -10.221 0.063) 10.372 10.065 ( 7.000 -5.754 -0.646) 9.084 10.244 ( -20.005 -0.820 1.159) 20.056 10.300 ( 2.335 -3.336 0.429) 4.094 10.989 ( 5.175 -2.730 0.310) 5.859 11.134 ( 4.346 1.629 0.723) 4.697 11.526 ( 5.579 -2.800 0.657) 6.277 11.832 ( -31.850 10.917 0.384) 33.671 12.031 ( -1.902 -10.744 -0.235) 10.914 12.221 ( 7.040 2.017 -0.426) 7.335 12.566 ( -9.676 -4.963 0.317) 10.879 13.532 ( -0.250 6.214 0.394) 6.232 13.574 ( -11.277 -3.485 -0.019) 11.803 14.112 ( -7.314 21.788 -0.204) 22.984 16.850 ( 11.916 -29.139 0.464) 31.485 ======================= Grid point 25 (16/312) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 4.528 37.795 -1.934) 38.114 2.293 ( 8.909 42.318 -1.836) 43.284 2.970 ( 26.494 8.238 -0.623) 27.752 3.716 ( 10.331 -14.163 -0.029) 17.531 4.339 ( -3.248 5.162 0.392) 6.112 4.518 ( -3.705 17.740 0.140) 18.123 4.598 ( 9.095 -10.349 0.232) 13.779 5.384 ( 11.643 7.678 0.897) 13.976 5.616 ( -5.539 -21.359 0.510) 22.072 6.191 ( 3.372 -7.232 -0.130) 7.981 6.359 ( -2.124 -10.784 -0.148) 10.992 6.464 ( 5.144 14.387 -1.041) 15.315 6.597 ( 16.247 -0.411 0.988) 16.283 7.230 ( 10.198 13.629 -2.851) 17.260 7.289 ( 9.111 -2.288 0.020) 9.394 7.761 ( -3.547 16.456 1.456) 16.897 7.948 ( 0.861 15.798 -8.496) 17.958 7.971 ( -0.862 14.374 8.045) 16.495 9.230 ( 0.026 -15.782 0.438) 15.788 9.686 ( -5.094 2.206 -1.049) 5.650 9.730 ( -8.724 -0.322 0.503) 8.745 9.846 ( -13.392 4.761 -0.991) 14.248 9.911 ( -5.758 -10.249 1.382) 11.837 10.182 ( 4.935 -3.434 -0.409) 6.026 10.367 ( 4.107 -4.886 0.628) 6.413 10.943 ( -4.139 11.830 0.329) 12.538 11.219 ( -26.625 16.695 0.736) 31.435 11.379 ( 14.437 -12.704 0.076) 19.231 11.650 ( 4.480 -5.904 0.936) 7.470 11.980 ( -2.813 -14.128 -0.216) 14.407 12.380 ( -8.426 -6.649 1.127) 10.793 12.398 ( 9.880 7.855 -1.195) 12.679 13.319 ( -13.534 -6.722 -0.041) 15.111 13.569 ( 2.638 1.301 0.037) 2.941 13.943 ( -9.357 21.325 -0.063) 23.288 17.006 ( 4.685 -28.057 0.546) 28.450 ======================= Grid point 26 (17/312) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 2.787 37.154 -1.163) 37.276 2.403 ( 3.367 49.657 -1.038) 49.782 3.430 ( 17.226 -4.414 -0.470) 17.788 3.916 ( 9.548 -10.894 -0.013) 14.486 4.244 ( -6.030 2.641 0.191) 6.586 4.469 ( -1.337 17.100 0.039) 17.153 4.769 ( 7.308 -12.870 0.163) 14.801 5.504 ( -5.140 -22.729 0.396) 23.306 5.595 ( 8.411 3.938 0.488) 9.300 6.245 ( -0.777 -15.647 -0.534) 15.676 6.343 ( 3.438 -2.911 0.584) 4.543 6.500 ( -0.216 11.746 -0.501) 11.758 6.893 ( 12.382 5.790 0.543) 13.680 7.343 ( -2.871 4.755 -0.010) 5.554 7.352 ( 0.558 19.053 -2.481) 19.222 7.693 ( -1.926 13.925 1.045) 14.097 8.043 ( 9.089 0.526 -0.148) 9.105 8.169 ( 17.772 9.264 -0.096) 20.042 9.204 ( -2.993 -9.365 -0.280) 9.836 9.285 ( -24.305 -2.291 1.111) 24.438 9.573 ( -6.068 7.606 0.652) 9.751 9.799 ( -4.515 -14.355 -0.239) 15.051 9.843 ( 2.522 14.579 -0.672) 14.811 10.282 ( 5.843 2.594 -0.632) 6.424 10.445 ( 3.314 -5.537 0.372) 6.463 10.761 ( -19.045 13.991 1.216) 23.663 10.876 ( -2.505 10.556 -0.331) 10.854 11.645 ( 11.420 -10.643 -0.289) 15.614 11.726 ( 2.935 -8.726 1.215) 9.286 11.926 ( -2.679 -13.647 -0.009) 13.907 12.235 ( -5.539 -6.206 -0.109) 8.319 12.597 ( 9.005 8.405 -0.137) 12.319 13.066 ( -10.840 -10.057 -0.185) 14.788 13.616 ( 1.805 -1.687 0.069) 2.472 13.762 ( -7.942 21.544 -0.037) 22.961 17.063 ( 1.538 -26.965 0.361) 27.011 ======================= Grid point 27 (18/312) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.000 36.892 -0.000) 36.892 2.437 ( 0.000 50.682 -0.000) 50.682 3.606 ( 0.000 -7.055 -0.000) 7.055 4.066 ( 0.000 -13.933 0.000) 13.933 4.129 ( -0.000 5.871 0.000) 5.871 4.458 ( 0.000 16.758 0.000) 16.758 4.850 ( 0.000 -13.624 -0.000) 13.624 5.444 ( 0.000 -23.644 0.000) 23.644 5.685 ( 0.000 2.100 0.000) 2.100 6.217 ( 0.000 -18.122 0.000) 18.122 6.408 ( 0.000 0.499 -0.000) 0.499 6.493 ( 0.000 11.359 0.000) 11.359 7.034 ( 0.000 7.411 0.000) 7.411 7.284 ( 0.000 6.260 -0.000) 6.260 7.335 ( -0.000 22.285 0.000) 22.285 7.678 ( 0.000 12.936 0.000) 12.936 8.169 ( 0.000 -8.477 -0.000) 8.477 8.470 ( -0.000 6.271 -0.000) 6.271 8.929 ( 0.000 -1.568 -0.000) 1.568 9.152 ( 0.000 0.308 -0.000) 0.308 9.515 ( 0.000 7.616 -0.000) 7.616 9.752 ( 0.000 -16.672 -0.000) 16.672 9.869 ( 0.000 15.766 -0.000) 15.766 10.410 ( -0.000 14.573 -0.000) 14.573 10.480 ( 0.000 -5.339 0.000) 5.339 10.498 ( 0.000 3.484 -0.000) 3.484 10.849 ( 0.000 9.566 -0.000) 9.566 11.757 ( 0.000 -10.947 0.000) 10.947 11.785 ( -0.000 -6.776 -0.000) 6.776 11.882 ( 0.000 -15.055 0.000) 15.055 12.177 ( 0.000 -4.946 0.000) 4.946 12.702 ( 0.000 7.104 -0.000) 7.104 12.942 ( 0.000 -11.395 0.000) 11.395 13.635 ( 0.000 -2.714 0.000) 2.714 13.672 ( 0.000 22.006 0.000) 22.006 17.078 ( 0.000 -26.616 -0.000) 26.616 ======================= Grid point 33 (19/312) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 0.000 24.928 0.000) 24.928 2.262 ( 0.000 36.552 0.000) 36.552 2.912 ( 0.000 -20.930 0.000) 20.930 3.555 ( 0.000 54.626 0.000) 54.626 4.223 ( 0.000 -7.057 0.000) 7.057 4.430 ( 0.000 10.555 0.000) 10.555 5.397 ( 0.000 -6.509 0.000) 6.509 5.400 ( 0.000 11.436 0.000) 11.436 5.478 ( 0.000 12.301 0.000) 12.301 5.690 ( 0.000 6.100 0.000) 6.100 5.796 ( 0.000 -8.650 0.000) 8.650 5.870 ( 0.000 -3.941 0.000) 3.941 6.458 ( 0.000 -2.385 0.000) 2.385 6.733 ( 0.000 -9.427 0.000) 9.427 7.241 ( 0.000 13.785 0.000) 13.785 8.118 ( 0.000 18.509 0.000) 18.509 8.464 ( 0.000 15.356 0.000) 15.356 8.734 ( 0.000 21.269 0.000) 21.269 8.779 ( 0.000 -25.392 0.000) 25.392 9.373 ( 0.000 -7.791 0.000) 7.791 9.689 ( 0.000 -16.589 0.000) 16.589 9.850 ( 0.000 2.499 0.000) 2.499 10.156 ( 0.000 -2.420 0.000) 2.420 10.225 ( 0.000 -1.121 0.000) 1.121 10.298 ( 0.000 -16.248 0.000) 16.248 10.840 ( 0.000 5.652 0.000) 5.652 11.102 ( 0.000 -13.041 0.000) 13.041 11.479 ( 0.000 13.508 0.000) 13.508 11.695 ( 0.000 -20.868 0.000) 20.868 12.224 ( 0.000 9.472 0.000) 9.472 12.504 ( 0.000 -12.258 0.000) 12.258 12.688 ( 0.000 -4.717 0.000) 4.717 13.798 ( 0.000 -1.079 0.000) 1.079 13.901 ( 0.000 -4.286 0.000) 4.286 14.688 ( 0.000 21.572 0.000) 21.572 15.978 ( 0.000 -11.229 0.000) 11.229 ======================= Grid point 34 (20/312) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 28.321 17.900 -1.128) 33.523 2.294 ( 3.003 36.731 -0.625) 36.859 2.992 ( 7.673 -19.692 0.191) 21.135 3.536 ( -1.723 53.601 -0.329) 53.630 4.243 ( 2.019 -7.436 0.267) 7.710 4.456 ( 2.164 9.358 0.463) 9.616 5.154 ( -12.546 12.632 0.086) 17.803 5.373 ( -1.194 11.147 0.403) 11.218 5.454 ( -4.403 -10.311 0.560) 11.225 5.853 ( 7.522 -9.237 -10.198) 15.681 5.878 ( 8.690 -8.045 9.156) 14.969 6.123 ( 21.461 12.222 -0.410) 24.700 6.389 ( -5.978 -4.676 0.258) 7.594 6.803 ( 6.724 -7.210 -0.128) 9.860 7.244 ( 0.753 14.035 -1.064) 14.095 8.116 ( -0.168 18.475 0.713) 18.489 8.432 ( -3.016 13.512 -0.684) 13.861 8.645 ( -8.137 19.879 0.253) 21.481 8.809 ( 2.415 -22.301 0.234) 22.433 9.457 ( 7.825 -4.542 -0.676) 9.073 9.721 ( 2.993 -15.458 -0.075) 15.745 9.902 ( 4.880 1.884 -0.088) 5.232 9.991 ( -10.242 -5.223 -0.184) 11.498 10.214 ( -0.496 -3.356 0.149) 3.396 10.488 ( 12.488 -13.100 0.627) 18.110 10.600 ( -17.558 -0.946 0.219) 17.585 11.273 ( 10.743 -6.070 0.906) 12.373 11.433 ( -4.189 12.681 -0.082) 13.355 11.708 ( 0.941 -18.901 -0.228) 18.926 12.265 ( 4.147 9.691 0.188) 10.543 12.317 ( -15.582 -9.228 -0.037) 18.109 12.690 ( -3.323 -2.384 -0.371) 4.107 13.716 ( -8.146 -1.973 1.429) 8.502 13.747 ( -11.476 -0.253 -0.993) 11.522 14.647 ( -4.008 21.750 -0.135) 22.116 16.112 ( 10.876 -18.418 0.120) 21.390 ======================= Grid point 35 (21/312) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 32.742 9.994 -1.367) 34.260 2.371 ( 4.435 36.927 -1.081) 37.208 3.192 ( 11.828 -16.910 0.214) 20.637 3.503 ( -1.191 49.493 -0.629) 49.511 4.304 ( 4.201 -8.431 0.468) 9.431 4.486 ( 0.092 6.959 0.622) 6.987 4.972 ( -6.163 16.688 0.159) 17.790 5.346 ( -6.249 -16.482 0.781) 17.644 5.406 ( 4.930 11.319 -0.078) 12.347 5.932 ( 1.942 -13.660 -1.485) 13.877 6.143 ( 16.025 -8.250 -0.177) 18.025 6.259 ( -6.022 -8.623 0.940) 10.560 6.533 ( 16.890 13.641 -0.174) 21.711 6.991 ( 11.640 -4.421 -0.047) 12.451 7.303 ( 6.332 14.885 -2.114) 16.313 8.111 ( -0.494 18.089 1.322) 18.144 8.347 ( -5.645 13.088 -1.747) 14.360 8.453 ( -10.035 18.882 1.185) 21.416 8.857 ( 2.294 -19.402 -0.015) 19.538 9.650 ( 10.425 0.826 -0.833) 10.491 9.759 ( -3.579 -12.939 0.018) 13.425 9.830 ( -2.136 -3.358 0.126) 3.982 10.025 ( 6.981 1.502 -0.401) 7.152 10.205 ( -0.276 -6.558 -0.711) 6.603 10.216 ( -19.811 -2.477 1.582) 20.028 10.757 ( 14.232 -14.171 0.675) 20.096 11.328 ( -5.912 11.368 0.609) 12.828 11.457 ( 7.164 -3.625 0.599) 8.051 11.723 ( 0.520 -15.095 -0.243) 15.106 11.940 ( -21.413 -0.064 -0.008) 21.413 12.388 ( 7.990 9.763 -0.249) 12.618 12.521 ( -12.350 0.913 -0.045) 12.384 13.490 ( -14.286 -4.653 0.373) 15.029 13.577 ( -4.605 -1.567 -0.055) 4.865 14.533 ( -7.234 22.339 -0.112) 23.481 16.317 ( 8.532 -26.731 0.259) 28.061 ======================= Grid point 36 (22/312) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 4.008 36.602 -1.063) 36.836 2.713 ( 26.829 7.581 -1.353) 27.913 3.441 ( 12.728 -14.064 0.154) 18.969 3.495 ( 0.272 40.800 -0.659) 40.806 4.411 ( 6.412 -9.208 0.760) 11.247 4.444 ( -4.268 5.602 0.283) 7.048 4.885 ( -3.208 18.685 0.220) 18.959 5.211 ( -7.061 -20.130 0.182) 21.333 5.540 ( 7.107 8.083 0.135) 10.764 5.939 ( -1.474 -18.487 -0.896) 18.568 6.196 ( 1.529 -6.647 0.430) 6.834 6.485 ( 16.851 -5.669 0.059) 17.779 6.749 ( 6.160 10.360 -0.067) 12.053 7.227 ( 10.634 -4.230 -0.156) 11.446 7.510 ( 12.788 15.882 -2.371) 20.528 8.074 ( -4.238 16.060 1.345) 16.664 8.210 ( -7.479 11.985 -1.443) 14.201 8.313 ( -1.621 19.926 1.044) 20.019 8.909 ( 3.182 -17.319 -0.075) 17.609 9.623 ( -7.189 -11.838 -0.811) 13.874 9.681 ( -16.685 -1.288 1.662) 16.817 9.829 ( -1.245 2.559 0.372) 2.870 9.968 ( 4.398 4.335 -0.438) 6.191 10.185 ( 8.849 5.057 -1.164) 10.258 10.233 ( 3.198 -9.283 0.506) 9.831 11.025 ( 9.578 -8.198 0.404) 12.614 11.230 ( -0.736 2.093 0.677) 2.320 11.451 ( -17.869 1.746 0.270) 17.956 11.596 ( -2.412 5.266 0.668) 5.831 11.730 ( 0.090 -10.365 -0.355) 10.371 12.271 ( -11.272 -3.479 0.175) 11.798 12.571 ( 9.920 8.911 -0.388) 13.340 13.169 ( -17.271 -8.326 -0.090) 19.173 13.537 ( -0.359 -4.768 0.121) 4.783 14.371 ( -8.728 23.495 0.002) 25.064 16.441 ( 4.178 -30.514 0.306) 30.800 ======================= Grid point 37 (23/312) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 2.313 35.883 -0.637) 35.963 3.149 ( 16.533 16.417 -1.138) 23.327 3.497 ( -0.625 23.514 -0.141) 23.523 3.679 ( 10.478 -12.351 0.033) 16.197 4.331 ( -6.278 5.535 0.366) 8.377 4.553 ( 7.494 -8.315 0.387) 11.200 4.824 ( -3.350 16.395 0.144) 16.734 5.079 ( -5.615 -20.444 -0.046) 21.201 5.650 ( 3.937 0.651 0.021) 3.991 5.875 ( -4.098 -21.812 -0.530) 22.200 6.327 ( 9.268 0.828 0.566) 9.322 6.687 ( 2.363 8.162 -0.261) 8.501 6.922 ( 12.175 -2.069 0.164) 12.351 7.357 ( 1.841 -2.552 -0.387) 3.171 7.699 ( 4.104 16.449 -1.535) 17.022 7.973 ( -3.800 14.556 0.421) 15.050 8.090 ( -3.552 4.534 0.142) 5.761 8.430 ( 12.595 17.526 -0.011) 21.583 8.984 ( 4.037 -13.430 -0.148) 14.024 9.250 ( -22.678 -0.860 0.836) 22.710 9.492 ( -5.982 -15.537 0.205) 16.650 9.784 ( -2.473 10.648 0.500) 10.943 10.108 ( 5.999 11.445 -0.385) 12.927 10.312 ( 4.086 -8.033 -0.167) 9.014 10.390 ( 11.295 9.233 -0.645) 14.603 11.016 ( -4.598 3.858 0.642) 6.036 11.049 ( -18.767 14.787 -0.545) 23.899 11.416 ( 12.993 -13.652 0.428) 18.851 11.570 ( -2.452 -6.001 1.363) 6.624 11.724 ( -0.866 -6.171 -0.324) 6.240 12.111 ( -4.675 -6.590 -0.164) 8.081 12.751 ( 6.437 4.252 -0.376) 7.724 12.845 ( -12.994 -9.406 -0.082) 16.042 13.539 ( 0.317 -6.381 0.092) 6.389 14.209 ( -6.786 25.224 0.055) 26.121 16.495 ( 1.502 -31.972 0.207) 32.008 ======================= Grid point 38 (24/312) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 0.000 35.503 -0.000) 35.503 3.338 ( 0.000 43.565 -0.000) 43.565 3.470 ( -0.000 -6.925 -0.000) 6.925 3.803 ( 0.000 -12.604 0.000) 12.604 4.249 ( 0.000 6.411 0.000) 6.411 4.665 ( 0.000 -6.316 -0.000) 6.316 4.759 ( 0.000 10.144 0.000) 10.144 5.018 ( 0.000 -16.831 0.000) 16.831 5.697 ( 0.000 -1.481 -0.000) 1.481 5.820 ( 0.000 -23.278 0.000) 23.278 6.444 ( 0.000 3.682 -0.000) 3.682 6.696 ( 0.000 10.793 0.000) 10.793 7.073 ( 0.000 -3.231 0.000) 3.231 7.352 ( 0.000 0.126 -0.000) 0.126 7.710 ( 0.000 16.461 0.000) 16.461 7.944 ( 0.000 14.697 0.000) 14.697 8.064 ( 0.000 -1.895 -0.000) 1.895 8.694 ( -0.000 17.327 -0.000) 17.327 8.892 ( 0.000 -2.237 -0.000) 2.237 9.035 ( 0.000 -10.404 -0.000) 10.404 9.420 ( 0.000 -17.830 -0.000) 17.830 9.756 ( 0.000 13.801 -0.000) 13.801 10.171 ( 0.000 15.554 0.000) 15.554 10.359 ( 0.000 -6.241 0.000) 6.241 10.571 ( -0.000 3.603 -0.000) 3.603 10.793 ( 0.000 25.050 -0.000) 25.050 10.961 ( 0.000 1.627 -0.000) 1.627 11.534 ( 0.000 -12.150 -0.000) 12.150 11.585 ( -0.000 -15.524 0.000) 15.524 11.697 ( 0.000 -1.945 -0.000) 1.945 12.069 ( 0.000 -6.197 0.000) 6.197 12.675 ( 0.000 -16.654 0.000) 16.654 12.844 ( 0.000 7.910 -0.000) 7.910 13.543 ( 0.000 -6.871 0.000) 6.871 14.135 ( 0.000 26.321 0.000) 26.321 16.509 ( 0.000 -32.365 -0.000) 32.365 ======================= Grid point 44 (25/312) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 24.290 0.000) 24.290 2.492 ( 0.000 -21.343 0.000) 21.343 2.939 ( 0.000 32.604 0.000) 32.604 3.972 ( 0.000 -19.115 0.000) 19.115 4.485 ( 0.000 41.441 0.000) 41.441 4.649 ( 0.000 12.311 0.000) 12.311 5.215 ( 0.000 -10.893 0.000) 10.893 5.520 ( 0.000 0.870 0.000) 0.870 5.542 ( 0.000 3.488 0.000) 3.488 5.590 ( 0.000 -13.811 0.000) 13.811 5.908 ( 0.000 7.194 0.000) 7.194 6.033 ( 0.000 20.041 0.000) 20.041 6.343 ( 0.000 -9.833 0.000) 9.833 6.564 ( 0.000 -9.074 0.000) 9.074 7.522 ( 0.000 15.921 0.000) 15.921 8.287 ( 0.000 -25.053 0.000) 25.053 8.481 ( 0.000 19.159 0.000) 19.159 8.714 ( 0.000 10.442 0.000) 10.442 9.148 ( 0.000 22.026 0.000) 22.026 9.212 ( 0.000 -8.560 0.000) 8.560 9.355 ( 0.000 -17.697 0.000) 17.697 9.913 ( 0.000 4.025 0.000) 4.025 9.961 ( 0.000 -19.441 0.000) 19.441 10.090 ( 0.000 -4.521 0.000) 4.521 10.292 ( 0.000 8.474 0.000) 8.474 10.823 ( 0.000 -15.904 0.000) 15.904 10.964 ( 0.000 7.498 0.000) 7.498 11.358 ( 0.000 -14.613 0.000) 14.613 11.738 ( 0.000 13.744 0.000) 13.744 12.259 ( 0.000 -13.414 0.000) 13.414 12.377 ( 0.000 6.833 0.000) 6.833 12.594 ( 0.000 -5.142 0.000) 5.142 13.784 ( 0.000 -0.303 0.000) 0.303 13.831 ( 0.000 -2.937 0.000) 2.937 15.080 ( 0.000 19.645 0.000) 19.645 15.733 ( 0.000 -14.446 0.000) 14.446 ======================= Grid point 45 (26/312) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 20.373 20.089 -0.322) 28.613 2.607 ( 10.848 -19.447 0.223) 22.269 2.969 ( 2.776 32.686 -0.116) 32.804 3.995 ( 2.205 -18.660 0.304) 18.792 4.462 ( -2.390 42.505 -0.552) 42.576 4.649 ( -0.313 10.784 0.363) 10.795 5.113 ( -7.568 -10.241 0.050) 12.734 5.526 ( -0.290 4.777 4.991) 6.915 5.534 ( -4.110 10.098 -4.857) 11.935 5.620 ( 1.286 -14.460 -1.968) 14.650 5.769 ( 3.286 -1.180 1.739) 3.901 6.224 ( -9.091 -12.762 -0.193) 15.670 6.382 ( 20.827 12.929 -0.417) 24.517 6.689 ( 10.080 -5.127 -0.282) 11.312 7.535 ( 1.728 16.701 -0.783) 16.809 8.303 ( 1.665 -22.721 0.061) 22.782 8.477 ( -0.547 18.722 0.530) 18.738 8.716 ( -0.511 8.109 -0.630) 8.149 8.969 ( -10.091 12.633 -0.011) 16.168 9.399 ( 6.642 -11.923 1.055) 13.689 9.415 ( 10.204 -3.319 -0.999) 10.776 9.851 ( -6.747 -11.159 0.071) 13.040 9.967 ( 5.165 4.606 -0.272) 6.926 10.169 ( -0.427 -2.362 0.217) 2.410 10.296 ( 5.291 -4.331 0.211) 6.841 10.530 ( -18.661 -6.690 0.371) 19.827 11.197 ( 12.721 -1.069 0.557) 12.778 11.406 ( 4.413 -11.874 -0.197) 12.669 11.677 ( -5.797 12.129 0.244) 13.445 12.120 ( -11.635 -11.055 0.354) 16.054 12.428 ( 4.800 7.432 -0.376) 8.855 12.636 ( 1.673 -3.560 -0.368) 3.950 13.684 ( -9.776 -1.159 1.284) 9.928 13.713 ( -10.425 -2.305 -1.196) 10.743 15.048 ( -3.175 20.392 -0.061) 20.638 15.771 ( 3.190 -17.926 0.064) 18.208 ======================= Grid point 46 (27/312) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 26.361 12.864 -0.411) 29.335 2.880 ( 15.135 -15.834 0.399) 21.908 3.042 ( 4.654 33.335 -0.429) 33.661 4.054 ( 3.677 -16.996 0.542) 17.398 4.390 ( -4.623 41.434 -1.086) 41.705 4.624 ( -2.434 7.590 0.543) 7.989 4.979 ( -5.502 -11.958 -0.081) 13.163 5.376 ( -8.023 16.051 0.432) 17.950 5.575 ( 1.061 -8.064 -1.439) 8.260 5.630 ( 1.739 -4.434 0.082) 4.764 5.990 ( 15.632 -7.655 0.166) 17.406 6.054 ( -5.814 -12.722 0.153) 13.988 6.745 ( 13.948 8.296 -0.304) 16.232 6.917 ( 11.979 -3.361 -0.210) 12.444 7.619 ( 7.450 18.181 -1.490) 19.705 8.351 ( 2.808 -16.381 0.260) 16.622 8.449 ( -2.814 16.138 0.850) 16.403 8.670 ( -4.067 2.670 -1.202) 5.012 8.788 ( -7.279 17.372 -0.046) 18.836 9.479 ( -0.028 -16.323 0.610) 16.335 9.672 ( 13.319 1.592 -0.426) 13.420 9.777 ( 1.926 -2.885 0.335) 3.485 10.065 ( -4.690 -2.005 5.072) 7.193 10.073 ( -6.698 -4.397 -5.302) 9.608 10.185 ( -5.356 2.150 0.497) 5.793 10.505 ( 13.282 -11.867 0.452) 17.816 11.404 ( 7.083 -1.594 0.895) 7.315 11.495 ( -1.690 -5.018 0.218) 5.299 11.538 ( -2.234 6.878 -0.133) 7.233 11.861 ( -13.001 -6.930 -0.023) 14.732 12.550 ( 6.992 6.729 -0.536) 9.719 12.579 ( -8.565 3.871 -0.126) 9.400 13.414 ( -16.719 -2.697 0.313) 16.937 13.500 ( -8.807 -5.448 -0.220) 10.358 14.958 ( -5.672 22.388 -0.030) 23.096 15.833 ( 2.628 -24.284 0.104) 24.426 ======================= Grid point 47 (28/312) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 22.888 6.300 -0.352) 23.742 3.075 ( 3.810 16.447 0.045) 16.883 3.243 ( 15.258 5.014 -0.241) 16.062 4.133 ( 3.532 -6.695 0.430) 7.582 4.300 ( -3.229 26.723 -1.061) 26.938 4.548 ( -5.115 5.339 0.436) 7.407 4.878 ( -5.438 -12.200 -0.138) 13.358 5.240 ( -5.397 17.148 0.302) 17.980 5.509 ( -5.692 -23.814 -1.319) 24.521 5.659 ( -1.207 -0.477 -0.019) 1.298 6.105 ( 11.404 -1.315 0.440) 11.487 6.346 ( 19.448 -8.517 -0.039) 21.231 6.914 ( 3.887 7.216 -0.107) 8.197 7.135 ( 9.255 -5.172 -0.201) 10.604 7.822 ( 11.373 16.752 -1.656) 20.316 8.344 ( -6.676 8.589 1.693) 11.009 8.356 ( -5.406 2.740 -0.980) 6.139 8.614 ( 1.260 -10.665 -0.358) 10.745 8.714 ( -0.037 21.832 -0.538) 21.838 9.376 ( -8.226 -13.381 0.621) 15.719 9.666 ( -18.930 0.271 0.793) 18.948 9.889 ( 2.572 1.221 0.733) 2.940 9.988 ( 11.709 -1.448 -1.536) 11.898 10.009 ( 5.518 -11.204 1.188) 12.545 10.366 ( 13.390 11.531 -0.853) 17.691 10.801 ( 16.138 -12.059 0.528) 20.153 11.297 ( -11.828 2.149 0.327) 12.026 11.386 ( -10.035 -4.301 0.482) 10.928 11.623 ( 4.507 -0.668 -0.186) 4.560 11.705 ( -1.493 1.459 0.042) 2.088 12.304 ( -17.338 7.640 0.136) 18.948 12.667 ( 2.355 -1.673 -0.468) 2.927 13.069 ( -15.200 0.754 -0.204) 15.220 13.397 ( -2.176 -9.520 0.176) 9.767 14.833 ( -6.556 25.182 0.044) 26.021 15.869 ( 0.945 -29.410 0.118) 29.425 ======================= Grid point 48 (29/312) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 1.454 22.428 -0.141) 22.476 3.206 ( 14.297 -0.116 -0.129) 14.298 3.526 ( 11.919 1.446 -0.075) 12.007 4.124 ( -3.737 28.634 -0.626) 28.884 4.344 ( 7.070 -13.270 0.516) 15.044 4.432 ( -5.890 4.695 -0.096) 7.533 4.741 ( -8.279 -9.076 -0.119) 12.285 5.168 ( -1.951 16.206 0.179) 16.324 5.395 ( -4.775 -25.628 -0.818) 26.082 5.626 ( -1.311 -6.315 -0.003) 6.449 6.391 ( 14.206 6.110 0.290) 15.467 6.719 ( 16.363 -6.647 -0.056) 17.661 6.946 ( 0.194 7.273 0.004) 7.276 7.263 ( 3.324 -6.866 -0.200) 7.631 7.979 ( 2.080 13.037 -0.605) 13.216 8.182 ( -8.882 3.985 -1.475) 9.846 8.232 ( -2.683 12.325 1.072) 12.659 8.712 ( 6.539 -14.394 0.928) 15.837 8.769 ( 4.995 15.267 -1.393) 16.123 9.204 ( -8.269 -13.839 0.709) 16.136 9.297 ( -16.320 7.827 0.645) 18.111 9.863 ( -1.679 -7.363 0.242) 7.556 10.215 ( 11.529 1.659 -0.971) 11.688 10.256 ( 13.291 4.394 1.091) 14.041 10.622 ( 8.763 13.897 -0.601) 16.440 11.036 ( -7.630 -0.270 0.131) 7.636 11.147 ( 10.749 -13.187 -1.738) 17.102 11.174 ( -5.022 -4.019 1.593) 6.626 11.627 ( -10.841 11.869 1.054) 16.109 11.692 ( 2.236 1.755 -0.233) 2.852 12.009 ( -8.577 -2.444 -0.006) 8.919 12.505 ( -15.038 -18.091 -0.357) 23.527 12.969 ( 2.448 10.525 -0.270) 10.809 13.381 ( 0.008 -9.904 0.175) 9.905 14.715 ( -4.704 28.072 0.063) 28.464 15.877 ( 0.069 -32.505 0.082) 32.505 ======================= Grid point 49 (30/312) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 0.000 22.897 -0.000) 22.897 3.359 ( 0.000 -4.373 -0.000) 4.373 3.659 ( 0.000 1.688 0.000) 1.688 4.073 ( 0.000 32.642 -0.000) 32.642 4.360 ( 0.000 4.822 -0.000) 4.822 4.476 ( 0.000 -25.024 0.000) 25.024 4.601 ( 0.000 0.170 -0.000) 0.170 5.151 ( 0.000 15.368 0.000) 15.368 5.345 ( 0.000 -26.468 0.000) 26.468 5.613 ( 0.000 -7.382 -0.000) 7.382 6.557 ( 0.000 8.089 -0.000) 8.089 6.910 ( -0.000 11.479 0.000) 11.479 6.940 ( 0.000 -9.683 0.000) 9.683 7.285 ( 0.000 -6.659 -0.000) 6.659 7.960 ( 0.000 9.934 0.000) 9.934 8.080 ( 0.000 2.196 -0.000) 2.196 8.231 ( -0.000 15.329 0.000) 15.329 8.800 ( 0.000 -13.807 -0.000) 13.807 8.856 ( -0.000 -0.968 0.000) 0.968 9.095 ( 0.000 23.468 -0.000) 23.468 9.101 ( 0.000 -14.807 0.000) 14.807 9.847 ( 0.000 -8.167 -0.000) 8.167 10.358 ( 0.000 8.658 0.000) 8.658 10.458 ( -0.000 14.623 0.000) 14.623 10.619 ( 0.000 0.737 -0.000) 0.737 10.906 ( 0.000 -6.989 -0.000) 6.989 11.310 ( -0.000 27.906 -0.000) 27.906 11.315 ( 0.000 -10.057 -0.000) 10.057 11.324 ( 0.000 -11.021 0.000) 11.021 11.712 ( 0.000 3.026 -0.000) 3.026 11.949 ( 0.000 -6.098 0.000) 6.098 12.313 ( 0.000 -21.294 0.000) 21.294 13.006 ( 0.000 9.182 -0.000) 9.182 13.383 ( 0.000 -9.627 0.000) 9.627 14.665 ( 0.000 29.454 0.000) 29.454 15.877 ( 0.000 -33.543 -0.000) 33.543 ======================= Grid point 55 (31/312) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 -0.000 0.000) 0.000 3.514 ( 0.000 -0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 -0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 -0.000 0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 -0.000 0.000) 0.000 6.100 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 -0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 -0.000 0.000) 0.000 7.858 ( 0.000 -0.001 0.000) 0.001 7.858 ( 0.000 0.001 0.000) 0.001 8.781 ( 0.000 0.000 0.000) 0.000 8.787 ( 0.000 -0.000 0.000) 0.000 9.100 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.564 ( 0.000 -0.000 0.000) 0.000 9.568 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 10.005 ( 0.000 -0.000 0.000) 0.000 10.514 ( 0.000 -0.000 0.000) 0.000 10.531 ( 0.000 0.000 0.000) 0.000 11.128 ( 0.000 0.000 0.000) 0.000 11.129 ( 0.000 -0.000 0.000) 0.000 11.997 ( 0.000 -0.000 0.000) 0.000 12.002 ( 0.000 0.000 0.000) 0.000 12.489 ( 0.000 -0.000 0.000) 0.000 12.496 ( 0.000 0.000 0.000) 0.000 13.787 ( 0.000 -0.000 0.000) 0.000 13.795 ( 0.000 0.000 0.000) 0.000 15.426 ( 0.000 0.000 0.000) 0.000 15.437 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 57 (32/312) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 14.569 0.000 1.382) 14.634 2.228 ( 14.989 -0.000 -1.119) 15.031 3.544 ( 2.877 -0.000 3.407) 4.459 3.554 ( 2.676 0.000 -3.164) 4.144 4.845 ( -2.080 -0.000 1.621) 2.637 4.851 ( -1.906 0.000 -1.419) 2.377 5.200 ( -4.481 -25.848 -0.714) 26.244 5.200 ( -4.460 25.848 -0.393) 26.233 5.605 ( 5.523 -0.000 6.531) 8.553 5.610 ( 5.214 0.000 -6.550) 8.372 5.930 ( -10.196 0.000 -5.868) 11.764 5.940 ( -10.460 -0.000 6.336) 12.229 6.576 ( 15.126 0.000 -3.601) 15.549 6.581 ( 14.859 -0.000 2.568) 15.079 7.886 ( 2.982 -20.273 -0.467) 20.496 7.886 ( 2.984 20.272 -0.303) 20.493 8.754 ( -2.848 0.000 -0.538) 2.899 8.760 ( -2.792 -0.000 0.571) 2.849 9.118 ( 1.340 -0.000 -2.978) 3.266 9.140 ( 1.139 0.000 3.139) 3.339 9.584 ( 2.950 -0.000 2.450) 3.834 9.590 ( 3.116 0.000 -2.282) 3.862 10.063 ( 6.221 0.000 -1.005) 6.301 10.078 ( 6.386 -0.000 1.292) 6.515 10.361 ( -12.535 -0.000 -6.238) 14.002 10.380 ( -12.372 0.000 6.412) 13.935 11.240 ( 8.952 0.000 4.842) 10.177 11.243 ( 9.024 -0.000 -4.505) 10.086 11.901 ( -8.609 -0.000 4.967) 9.939 11.907 ( -8.465 0.000 -4.445) 9.561 12.548 ( 4.681 -0.000 -2.732) 5.420 12.553 ( 4.520 0.000 2.031) 4.956 13.676 ( -10.683 -0.000 4.049) 11.424 13.685 ( -10.581 0.000 -4.115) 11.353 15.416 ( -1.047 0.000 -0.255) 1.077 15.427 ( -1.058 -0.000 0.262) 1.090 ======================= Grid point 59 (33/312) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 19.963 -0.000 1.649) 20.031 2.596 ( 20.283 0.000 -1.251) 20.322 3.621 ( 4.758 -0.000 5.271) 7.101 3.625 ( 4.388 0.000 -4.998) 6.650 4.773 ( -5.352 -0.000 1.974) 5.705 4.783 ( -5.143 0.000 -1.831) 5.459 5.093 ( -5.533 -0.000 -3.179) 6.381 5.095 ( -5.536 0.000 1.252) 5.676 5.659 ( -5.090 0.000 -12.365) 13.372 5.660 ( -4.892 -0.000 12.131) 13.080 5.875 ( 9.640 -0.000 -3.912) 10.403 5.881 ( 9.457 0.000 4.315) 10.395 6.852 ( 11.823 0.000 -0.717) 11.845 6.856 ( 11.830 -0.000 0.005) 11.830 7.983 ( 6.869 -0.000 -2.733) 7.393 7.984 ( 6.927 0.000 1.418) 7.071 8.662 ( -6.427 0.000 -0.841) 6.482 8.670 ( -6.271 -0.000 0.531) 6.294 9.130 ( -0.485 -0.000 -5.263) 5.285 9.147 ( -0.682 0.000 5.741) 5.782 9.711 ( 9.824 0.000 1.034) 9.878 9.720 ( 9.973 -0.000 -0.589) 9.990 10.023 ( -14.767 -0.000 -7.652) 16.632 10.025 ( -14.080 0.000 8.266) 16.327 10.307 ( 10.946 -0.000 7.106) 13.051 10.309 ( 10.262 0.000 -7.158) 12.512 11.405 ( 5.529 0.000 4.760) 7.296 11.409 ( 5.672 0.000 -3.962) 6.919 11.705 ( -9.308 -0.000 5.096) 10.612 11.712 ( -9.332 0.000 -4.903) 10.542 12.620 ( 1.080 -0.000 -6.089) 6.184 12.622 ( 0.893 0.000 5.298) 5.373 13.407 ( -14.617 -0.000 2.726) 14.869 13.418 ( -14.465 0.000 -2.749) 14.724 15.381 ( -2.420 0.000 0.571) 2.487 15.393 ( -2.414 -0.000 -0.523) 2.470 ======================= Grid point 61 (34/312) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 16.911 -0.000 1.449) 16.973 2.976 ( 16.762 0.000 -1.021) 16.793 3.729 ( 6.335 -0.000 -4.640) 7.853 3.734 ( 6.654 0.000 4.803) 8.207 4.637 ( -7.877 -0.000 0.681) 7.906 4.649 ( -7.828 0.000 -1.151) 7.912 4.990 ( -4.991 -0.001 -1.442) 5.196 4.992 ( -5.020 0.001 -0.381) 5.035 5.530 ( -5.870 0.000 -8.442) 10.282 5.532 ( -5.971 -0.000 8.511) 10.396 6.179 ( 18.376 -0.000 -5.792) 19.267 6.184 ( 18.409 0.000 5.939) 19.343 7.031 ( 6.201 0.000 1.308) 6.337 7.036 ( 6.300 -0.000 -1.636) 6.509 8.138 ( 7.370 0.000 -0.021) 7.370 8.142 ( 7.637 -0.000 -1.013) 7.704 8.510 ( -7.906 0.000 -4.010) 8.864 8.521 ( -7.855 -0.000 2.901) 8.373 9.090 ( -3.869 -0.000 -9.015) 9.810 9.106 ( -3.836 0.000 10.177) 10.876 9.736 ( -11.840 0.000 -2.379) 12.077 9.738 ( -12.192 -0.000 2.911) 12.535 9.962 ( 14.412 -0.000 -0.042) 14.413 9.974 ( 14.566 0.000 0.642) 14.580 10.584 ( 16.150 -6.665 -8.315) 19.349 10.584 ( 16.036 6.665 7.918) 19.086 11.322 ( -12.642 0.000 6.046) 14.014 11.330 ( -12.535 -0.000 -5.406) 13.651 11.665 ( 4.022 -0.000 1.447) 4.275 11.669 ( 3.930 0.000 -1.434) 4.183 12.509 ( -13.527 -0.000 14.494) 19.826 12.512 ( -13.166 0.000 -14.866) 19.858 13.193 ( -5.087 -0.000 -5.662) 7.612 13.206 ( -5.024 0.000 5.529) 7.471 15.324 ( -3.102 0.000 1.578) 3.480 15.336 ( -3.100 0.000 -1.477) 3.433 ======================= Grid point 63 (35/312) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 8.767 -0.000 1.131) 8.839 3.229 ( 8.265 0.000 -0.834) 8.307 3.877 ( 7.889 -0.000 -2.731) 8.349 3.884 ( 7.865 0.000 2.874) 8.373 4.484 ( -6.873 0.000 0.074) 6.873 4.496 ( -6.943 -0.000 -0.745) 6.983 4.890 ( -4.761 -0.002 0.323) 4.772 4.892 ( -4.702 0.002 -1.363) 4.895 5.446 ( -2.561 0.001 -4.199) 4.918 5.446 ( -2.644 -0.001 4.275) 5.027 6.543 ( 16.459 -0.000 -3.782) 16.888 6.551 ( 16.635 0.000 3.860) 17.077 7.107 ( 1.688 0.000 1.409) 2.199 7.114 ( 1.822 -0.000 -1.522) 2.374 8.166 ( -5.723 0.000 5.705) 8.081 8.180 ( -5.207 -0.000 -5.811) 7.803 8.453 ( 3.648 -0.000 -9.057) 9.764 8.460 ( 3.460 0.000 7.313) 8.090 8.974 ( -6.878 0.000 -8.233) 10.727 8.993 ( -6.801 -0.000 9.844) 11.965 9.571 ( -4.581 -0.000 -2.587) 5.261 9.577 ( -4.246 0.000 2.646) 5.003 10.274 ( 16.472 -0.000 -2.825) 16.713 10.289 ( 16.590 0.000 3.309) 16.917 10.882 ( 5.697 0.000 11.687) 13.002 10.893 ( 7.392 -0.000 -12.769) 14.754 11.070 ( -4.352 0.000 4.047) 5.943 11.071 ( -5.762 -0.000 -3.330) 6.655 11.741 ( 2.598 -0.000 1.402) 2.952 11.743 ( 2.392 0.000 -1.400) 2.772 12.149 ( -19.491 -0.000 15.900) 25.154 12.157 ( -19.291 0.000 -15.793) 24.932 13.169 ( 0.887 -0.000 -5.788) 5.856 13.185 ( 0.999 0.000 5.650) 5.738 15.269 ( -2.216 -0.000 1.440) 2.643 15.280 ( -2.231 0.000 -1.347) 2.606 ======================= Grid point 65 (36/312) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 0.000 0.000 -0.000) 0.000 3.310 ( 0.000 -0.000 0.000) 0.000 3.977 ( 0.000 -0.001 0.000) 0.001 3.984 ( 0.000 0.001 -0.000) 0.001 4.402 ( 0.000 -0.000 -0.000) 0.000 4.412 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 -0.001 0.000) 0.001 4.837 ( 0.000 0.001 -0.000) 0.001 5.421 ( 0.000 0.002 -0.000) 0.002 5.422 ( 0.000 -0.002 0.000) 0.002 6.734 ( 0.000 -0.000 -0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 -0.000) 0.000 7.125 ( 0.000 -0.000 0.000) 0.000 8.076 ( 0.000 0.000 -0.000) 0.000 8.094 ( 0.000 -0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 -0.000 -0.000) 0.000 8.885 ( 0.000 0.000 0.000) 0.000 8.905 ( 0.000 -0.000 -0.000) 0.000 9.531 ( 0.000 -0.000 0.000) 0.000 9.540 ( 0.000 0.000 -0.000) 0.000 10.546 ( -0.000 -0.000 0.000) 0.000 10.564 ( -0.000 0.000 -0.000) 0.000 10.711 ( 0.000 0.000 -0.000) 0.000 10.725 ( 0.000 -0.000 0.000) 0.000 11.207 ( 0.000 0.000 -0.000) 0.000 11.208 ( 0.000 0.000 0.000) 0.000 11.745 ( 0.000 0.000 -0.000) 0.000 11.753 ( 0.000 -0.000 0.000) 0.000 11.911 ( 0.000 -0.000 -0.000) 0.000 11.915 ( 0.000 0.000 0.000) 0.000 13.183 ( 0.000 -0.000 0.000) 0.000 13.200 ( 0.000 0.000 -0.000) 0.000 15.245 ( 0.000 -0.001 -0.000) 0.001 15.256 ( 0.000 0.001 0.000) 0.001 ======================= Grid point 121 (37/312) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( -7.428 0.000 17.963) 19.438 0.779 ( -0.399 0.000 40.668) 40.670 1.245 ( -1.892 0.000 64.808) 64.835 3.671 ( -0.709 0.000 -17.151) 17.165 4.142 ( 0.399 0.000 4.047) 4.067 4.169 ( 0.467 0.000 5.619) 5.638 4.733 ( 0.832 0.000 12.401) 12.429 4.797 ( -0.416 0.000 16.400) 16.405 5.470 ( 0.249 0.000 -0.500) 0.559 6.005 ( 0.166 0.000 -8.847) 8.848 6.051 ( 0.138 0.000 -4.262) 4.264 6.244 ( 0.123 0.000 -9.808) 9.809 6.398 ( 0.168 0.000 2.996) 3.000 6.830 ( -1.352 0.000 6.516) 6.655 7.177 ( -0.238 0.000 -13.570) 13.572 7.544 ( 0.930 0.000 9.871) 9.915 7.816 ( -0.292 0.000 16.875) 16.878 8.025 ( -0.338 0.000 13.137) 13.142 9.477 ( -0.993 0.000 -8.893) 8.948 9.547 ( 0.602 0.000 -1.431) 1.553 9.828 ( 0.423 0.000 -0.747) 0.858 10.139 ( 0.732 0.000 -6.626) 6.666 10.282 ( 0.968 0.000 0.393) 1.044 10.410 ( -0.015 0.000 -10.083) 10.083 10.694 ( -0.046 0.000 1.892) 1.892 10.936 ( 0.114 0.000 -18.594) 18.594 10.991 ( -0.129 0.000 11.337) 11.338 11.428 ( -0.366 0.000 -4.078) 4.094 11.722 ( 0.412 0.000 16.520) 16.525 12.615 ( 0.184 0.000 -23.822) 23.823 12.822 ( 1.945 0.000 -2.236) 2.964 12.865 ( -2.044 0.000 -5.232) 5.617 13.831 ( -0.339 0.000 21.821) 21.824 13.839 ( 0.442 0.000 -0.722) 0.847 14.054 ( 1.365 0.000 -2.710) 3.034 16.268 ( -0.840 0.000 -3.895) 3.984 ======================= Grid point 122 (38/312) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 3.972 0.000 38.998) 39.200 0.953 ( 32.586 0.000 15.336) 36.015 1.323 ( 17.947 0.000 48.153) 51.389 3.703 ( 3.912 0.000 -17.385) 17.819 4.186 ( 3.194 0.000 5.664) 6.502 4.240 ( 4.157 0.000 7.951) 8.972 4.602 ( -4.464 0.000 3.299) 5.551 4.831 ( 4.416 0.000 13.290) 14.005 5.667 ( 12.055 0.000 8.343) 14.661 6.063 ( 3.947 0.000 -12.007) 12.639 6.138 ( 7.573 0.000 -4.716) 8.921 6.263 ( 3.206 0.000 -6.366) 7.128 6.379 ( -1.189 0.000 3.283) 3.491 6.807 ( -0.350 0.000 5.508) 5.519 7.181 ( 0.796 0.000 -12.836) 12.861 7.560 ( 0.585 0.000 10.784) 10.800 7.787 ( -13.084 0.000 26.071) 29.170 7.794 ( -2.115 0.000 16.282) 16.419 9.456 ( -0.994 0.000 -9.575) 9.627 9.565 ( 1.163 0.000 0.175) 1.176 10.044 ( 11.992 0.000 -11.464) 16.590 10.166 ( 1.530 0.000 -6.018) 6.210 10.301 ( -4.298 0.000 -5.339) 6.854 10.314 ( -2.623 0.000 -5.960) 6.512 10.583 ( -10.581 0.000 -1.820) 10.736 10.905 ( -5.855 0.000 11.316) 12.741 11.089 ( 11.445 0.000 -14.693) 18.624 11.474 ( 4.318 0.000 -3.470) 5.540 11.781 ( 5.139 0.000 15.517) 16.346 12.322 ( -48.331 0.000 23.537) 53.758 12.587 ( -2.855 0.000 -22.756) 22.934 12.810 ( -5.713 0.000 -4.487) 7.264 13.295 ( -8.383 0.000 27.762) 29.000 13.748 ( -6.414 0.000 11.435) 13.111 13.839 ( -2.089 0.000 8.998) 9.237 17.078 ( 30.235 0.000 -38.238) 48.747 ======================= Grid point 123 (39/312) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 6.243 0.000 35.579) 36.123 1.188 ( 4.463 0.000 52.156) 52.347 2.100 ( 45.190 0.000 2.122) 45.240 3.813 ( 6.716 0.000 -15.991) 17.344 4.237 ( 1.452 0.000 7.428) 7.569 4.256 ( -2.001 0.000 15.065) 15.197 4.672 ( 9.633 0.000 -14.492) 17.402 4.993 ( 11.687 0.000 7.925) 14.120 5.882 ( 9.725 0.000 18.726) 21.100 6.080 ( -1.905 0.000 -14.228) 14.355 6.247 ( 1.432 0.000 -3.974) 4.224 6.423 ( 11.344 0.000 -2.493) 11.614 6.436 ( 7.825 0.000 -0.011) 7.825 6.832 ( 3.033 0.000 6.312) 7.003 7.220 ( 3.717 0.000 -10.065) 10.730 7.564 ( -0.739 0.000 12.637) 12.658 7.628 ( -2.568 0.000 18.491) 18.668 7.732 ( -3.796 0.000 15.113) 15.582 9.440 ( -0.514 0.000 -9.567) 9.581 9.591 ( 1.288 0.000 3.277) 3.521 10.082 ( -12.333 0.000 -10.332) 16.089 10.155 ( -4.618 0.000 -1.166) 4.763 10.188 ( -1.421 0.000 -8.141) 8.264 10.334 ( -9.487 0.000 -11.331) 14.779 10.364 ( 4.035 0.000 0.520) 4.068 10.771 ( -6.564 0.000 15.444) 16.781 11.357 ( 14.435 0.000 -14.513) 20.470 11.432 ( -24.279 0.000 16.610) 29.416 11.660 ( -2.772 0.000 2.617) 3.812 11.914 ( 8.019 0.000 13.071) 15.335 12.508 ( -4.757 0.000 -19.040) 19.625 12.670 ( -8.093 0.000 -5.848) 9.984 13.356 ( 7.303 0.000 10.524) 12.809 13.588 ( -9.317 0.000 6.936) 11.615 13.754 ( -6.328 0.000 10.770) 12.491 17.396 ( 7.328 0.000 -24.280) 25.362 ======================= Grid point 124 (40/312) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 5.959 0.000 32.576) 33.116 1.281 ( 4.924 0.000 51.152) 51.389 2.931 ( 36.971 0.000 -3.833) 37.169 3.944 ( 5.723 0.000 -10.866) 12.281 4.206 ( -2.495 0.000 14.105) 14.324 4.251 ( 0.503 0.000 4.006) 4.038 4.899 ( 11.913 0.000 -20.041) 23.314 5.267 ( 14.731 0.000 4.818) 15.499 5.988 ( -2.516 0.000 -13.739) 13.968 6.086 ( 6.116 0.000 21.564) 22.415 6.272 ( 2.419 0.000 -2.025) 3.155 6.558 ( 2.394 0.000 -7.083) 7.477 6.626 ( 8.211 0.000 0.688) 8.240 6.909 ( 3.076 0.000 11.042) 11.462 7.310 ( 1.972 0.000 -2.458) 3.151 7.537 ( -1.181 0.000 11.350) 11.412 7.713 ( 11.544 0.000 9.395) 14.884 7.714 ( 6.105 0.000 9.728) 11.485 9.436 ( 0.019 0.000 -9.000) 9.000 9.613 ( 0.840 0.000 6.738) 6.790 9.777 ( -18.195 0.000 -5.120) 18.901 9.814 ( -23.225 0.000 -1.133) 23.253 10.138 ( -3.190 0.000 -9.347) 9.876 10.300 ( 0.509 0.000 -7.830) 7.846 10.459 ( 5.008 0.000 -0.640) 5.049 10.673 ( -3.194 0.000 15.109) 15.443 10.901 ( -24.103 0.000 16.169) 29.024 11.630 ( 12.456 0.000 -12.013) 17.305 11.750 ( 6.128 0.000 -4.471) 7.586 12.091 ( 8.938 0.000 5.435) 10.461 12.417 ( -3.363 0.000 -9.905) 10.461 12.498 ( -8.833 0.000 -5.574) 10.445 13.393 ( -9.874 0.000 1.165) 9.942 13.504 ( 6.812 0.000 4.191) 7.998 13.595 ( -9.440 0.000 12.399) 15.584 17.475 ( 1.811 0.000 -17.673) 17.765 ======================= Grid point 125 (41/312) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 3.599 0.000 30.760) 30.969 1.381 ( 4.676 0.000 49.340) 49.561 3.520 ( 21.063 0.000 -6.258) 21.973 4.021 ( 2.034 0.000 -1.216) 2.370 4.170 ( -0.925 0.000 13.527) 13.559 4.271 ( 1.489 0.000 -4.943) 5.162 5.108 ( 8.282 0.000 -22.393) 23.876 5.531 ( 10.535 0.000 3.100) 10.981 5.917 ( -3.249 0.000 -19.313) 19.584 6.185 ( 2.643 0.000 22.676) 22.830 6.350 ( 4.723 0.000 -1.171) 4.866 6.541 ( -2.757 0.000 -10.229) 10.594 6.764 ( 5.754 0.000 9.428) 11.045 6.922 ( -0.942 0.000 13.114) 13.148 7.233 ( -6.822 0.000 5.662) 8.865 7.514 ( -1.233 0.000 10.036) 10.112 8.024 ( 20.971 0.000 -0.990) 20.994 8.078 ( 22.986 0.000 3.108) 23.195 9.316 ( -25.722 0.000 -1.784) 25.784 9.339 ( -18.607 0.000 -2.886) 18.830 9.477 ( -1.977 0.000 -1.245) 2.337 9.622 ( -0.007 0.000 9.383) 9.383 10.080 ( -2.322 0.000 -12.364) 12.580 10.288 ( -2.461 0.000 -1.104) 2.697 10.528 ( -11.932 0.000 9.537) 15.275 10.543 ( 2.932 0.000 -1.829) 3.456 10.634 ( -1.068 0.000 13.776) 13.817 11.836 ( 8.118 0.000 -8.236) 11.564 11.868 ( 5.393 0.000 -5.892) 7.987 12.179 ( -1.337 0.000 -11.806) 11.882 12.333 ( -7.164 0.000 -4.160) 8.284 12.456 ( 7.715 0.000 7.332) 10.643 13.212 ( -8.066 0.000 -4.489) 9.231 13.406 ( -8.375 0.000 14.315) 16.585 13.613 ( 3.929 0.000 1.039) 4.064 17.490 ( 0.093 0.000 -15.519) 15.519 ======================= Grid point 126 (42/312) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.045 0.000 30.206) 30.206 1.455 ( 2.304 0.000 49.054) 49.108 3.736 ( 0.637 0.000 -6.661) 6.691 4.038 ( 0.021 0.000 3.462) 3.462 4.167 ( -0.045 0.000 13.303) 13.304 4.293 ( 0.349 0.000 -9.180) 9.187 5.193 ( -0.249 0.000 -22.607) 22.608 5.641 ( -0.280 0.000 2.130) 2.148 5.879 ( -0.228 0.000 -21.270) 21.271 6.205 ( -0.077 0.000 20.820) 20.820 6.408 ( -0.216 0.000 -0.511) 0.555 6.501 ( -0.291 0.000 -11.213) 11.217 6.804 ( -2.404 0.000 12.391) 12.622 6.948 ( 4.179 0.000 15.557) 16.109 7.151 ( 0.431 0.000 6.847) 6.860 7.489 ( -1.317 0.000 8.930) 9.027 8.336 ( 2.089 0.000 -8.030) 8.298 8.420 ( -1.530 0.000 0.263) 1.552 8.950 ( 1.226 0.000 -0.691) 1.407 9.039 ( -2.016 0.000 7.665) 7.925 9.489 ( 1.361 0.000 -2.337) 2.704 9.614 ( -0.747 0.000 9.898) 9.927 10.050 ( -0.577 0.000 -14.356) 14.368 10.226 ( -0.974 0.000 5.466) 5.552 10.437 ( 0.722 0.000 2.643) 2.740 10.557 ( -1.519 0.000 -2.385) 2.828 10.630 ( 0.496 0.000 12.814) 12.824 11.927 ( -0.339 0.000 -7.042) 7.050 11.933 ( 0.025 0.000 -7.054) 7.054 12.140 ( 0.039 0.000 -11.504) 11.504 12.251 ( 0.133 0.000 -2.750) 2.753 12.570 ( -0.218 0.000 6.773) 6.776 13.106 ( -0.445 0.000 -5.470) 5.488 13.320 ( 0.456 0.000 14.119) 14.126 13.654 ( 0.168 0.000 0.138) 0.218 17.485 ( -0.480 0.000 -15.324) 15.331 ======================= Grid point 127 (43/312) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -3.459 0.000 30.908) 31.101 1.467 ( -1.363 0.000 49.976) 49.994 3.549 ( -19.468 0.000 -5.458) 20.219 4.024 ( -1.701 0.000 -0.150) 1.708 4.165 ( 0.320 0.000 13.472) 13.475 4.282 ( -1.186 0.000 -5.352) 5.481 5.096 ( -8.782 0.000 -22.067) 23.750 5.523 ( -10.676 0.000 2.725) 11.019 5.910 ( 3.198 0.000 -19.621) 19.880 6.181 ( -3.083 0.000 22.984) 23.190 6.342 ( -4.979 0.000 -1.137) 5.107 6.530 ( 2.290 0.000 -10.988) 11.224 6.723 ( -5.016 0.000 5.310) 7.304 7.030 ( 2.936 0.000 19.581) 19.800 7.248 ( 7.397 0.000 6.106) 9.591 7.466 ( -0.880 0.000 7.285) 7.338 8.052 ( -23.111 0.000 1.944) 23.193 8.066 ( -20.593 0.000 0.684) 20.605 9.300 ( 19.261 0.000 -2.886) 19.476 9.330 ( 25.305 0.000 -1.390) 25.343 9.525 ( 3.071 0.000 0.476) 3.108 9.596 ( -0.861 0.000 8.685) 8.727 10.057 ( 1.339 0.000 -14.471) 14.533 10.267 ( 2.904 0.000 -2.390) 3.761 10.497 ( -4.268 0.000 -3.240) 5.359 10.540 ( 11.091 0.000 10.202) 15.069 10.645 ( 1.006 0.000 13.794) 13.830 11.825 ( -8.456 0.000 -8.812) 12.213 11.869 ( -5.233 0.000 -5.607) 7.669 12.180 ( 1.462 0.000 -11.012) 11.109 12.338 ( 7.364 0.000 -3.980) 8.371 12.441 ( -8.714 0.000 6.188) 10.687 13.209 ( 8.772 0.000 -5.216) 10.206 13.413 ( 7.847 0.000 14.956) 16.890 13.618 ( -3.724 0.000 1.175) 3.905 17.472 ( -0.813 0.000 -16.307) 16.328 ======================= Grid point 128 (44/312) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -5.785 0.000 32.855) 33.360 1.407 ( -4.603 0.000 51.405) 51.611 2.988 ( -35.744 0.000 -1.906) 35.795 3.958 ( -4.926 0.000 -8.719) 10.015 4.189 ( 1.906 0.000 13.616) 13.748 4.259 ( -1.009 0.000 2.937) 3.106 4.878 ( -12.118 0.000 -19.663) 23.097 5.263 ( -14.293 0.000 4.628) 15.024 5.983 ( 2.822 0.000 -14.846) 15.112 6.073 ( -6.602 0.000 22.186) 23.148 6.262 ( -2.437 0.000 -2.138) 3.242 6.540 ( -2.497 0.000 -8.140) 8.514 6.605 ( -7.519 0.000 -2.164) 7.825 7.023 ( -4.308 0.000 16.455) 17.010 7.340 ( -1.144 0.000 -1.496) 1.883 7.464 ( 1.071 0.000 7.595) 7.670 7.698 ( -10.424 0.000 9.375) 14.020 7.747 ( -7.341 0.000 11.302) 13.477 9.492 ( 1.590 0.000 -7.154) 7.329 9.566 ( -0.808 0.000 4.379) 4.452 9.760 ( 17.609 0.000 -3.307) 17.917 9.833 ( 22.891 0.000 0.029) 22.891 10.099 ( 2.807 0.000 -12.906) 13.208 10.289 ( -0.452 0.000 -8.402) 8.414 10.399 ( -5.181 0.000 -3.285) 6.135 10.683 ( 3.181 0.000 15.564) 15.886 10.895 ( 23.541 0.000 15.984) 28.455 11.615 ( -12.424 0.000 -12.783) 17.826 11.755 ( -5.963 0.000 -4.148) 7.264 12.079 ( -9.900 0.000 6.632) 11.917 12.401 ( 3.834 0.000 -11.625) 12.241 12.505 ( 8.959 0.000 -5.077) 10.298 13.402 ( 10.142 0.000 -1.579) 10.264 13.511 ( -6.887 0.000 4.213) 8.074 13.589 ( 8.889 0.000 14.649) 17.135 17.447 ( -1.898 0.000 -18.829) 18.925 ======================= Grid point 129 (45/312) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -6.278 0.000 35.841) 36.387 1.296 ( -6.812 0.000 51.466) 51.915 2.176 ( -44.398 0.000 5.183) 44.699 3.841 ( -6.316 0.000 -13.994) 15.353 4.230 ( 1.675 0.000 14.069) 14.168 4.232 ( -2.139 0.000 6.412) 6.759 4.652 ( -9.350 0.000 -14.003) 16.838 5.000 ( -11.155 0.000 8.347) 13.932 5.870 ( -9.833 0.000 17.947) 20.464 6.075 ( 2.195 0.000 -14.203) 14.372 6.238 ( -1.264 0.000 -4.093) 4.284 6.409 ( -11.084 0.000 -4.456) 11.946 6.422 ( -7.401 0.000 -1.004) 7.469 6.915 ( -4.686 0.000 9.590) 10.674 7.247 ( -4.504 0.000 -9.194) 10.238 7.500 ( 1.607 0.000 9.336) 9.473 7.637 ( 3.153 0.000 19.845) 20.094 7.750 ( 3.358 0.000 16.230) 16.574 9.501 ( -0.077 0.000 -6.911) 6.911 9.550 ( -0.627 0.000 1.621) 1.738 10.057 ( 10.795 0.000 -8.332) 13.636 10.162 ( 3.987 0.000 -12.288) 12.919 10.168 ( 2.717 0.000 -1.376) 3.046 10.308 ( -3.465 0.000 -1.839) 3.923 10.320 ( 10.921 0.000 -10.754) 15.327 10.781 ( 6.404 0.000 15.524) 16.794 11.344 ( -14.163 0.000 -15.084) 20.691 11.433 ( 26.683 0.000 18.238) 32.320 11.657 ( 0.342 0.000 0.492) 0.599 11.893 ( -8.088 0.000 12.842) 15.177 12.498 ( 5.045 0.000 -19.233) 19.884 12.678 ( 8.077 0.000 -5.052) 9.527 13.360 ( -7.622 0.000 10.082) 12.639 13.596 ( 9.009 0.000 2.896) 9.463 13.744 ( 6.333 0.000 13.929) 15.302 17.372 ( -6.602 0.000 -25.152) 26.004 ======================= Grid point 130 (46/312) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -4.476 0.000 39.085) 39.341 1.021 ( -32.210 0.000 18.781) 37.286 1.396 ( -21.447 0.000 47.423) 52.047 3.727 ( -4.590 0.000 -16.060) 16.703 4.174 ( -3.076 0.000 4.916) 5.799 4.220 ( -3.219 0.000 7.742) 8.385 4.584 ( 4.517 0.000 3.209) 5.541 4.843 ( -4.677 0.000 13.881) 14.647 5.658 ( -11.771 0.000 7.642) 14.034 6.059 ( -3.902 0.000 -11.775) 12.404 6.133 ( -7.325 0.000 -4.972) 8.853 6.257 ( -2.722 0.000 -7.394) 7.879 6.372 ( 1.502 0.000 2.977) 3.334 6.855 ( -1.684 0.000 7.531) 7.717 7.193 ( -1.414 0.000 -12.423) 12.503 7.524 ( 1.049 0.000 9.225) 9.285 7.795 ( 12.718 0.000 26.258) 29.176 7.804 ( 1.625 0.000 16.796) 16.874 9.494 ( -0.626 0.000 -7.872) 7.897 9.543 ( -0.092 0.000 -0.680) 0.686 10.037 ( -12.205 0.000 -11.120) 16.511 10.136 ( 0.121 0.000 -7.776) 7.776 10.271 ( 0.181 0.000 -0.389) 0.429 10.311 ( 7.974 0.000 -11.756) 14.205 10.583 ( 10.730 0.000 -1.725) 10.868 10.911 ( 5.521 0.000 10.642) 11.989 11.083 ( -11.003 0.000 -14.447) 18.160 11.487 ( -4.773 0.000 -2.948) 5.610 11.766 ( -4.616 0.000 15.214) 15.899 12.306 ( 48.588 0.000 22.534) 53.559 12.582 ( 3.184 0.000 -22.659) 22.882 12.819 ( 6.042 0.000 -3.241) 6.857 13.289 ( 7.356 0.000 26.290) 27.300 13.750 ( 6.178 0.000 6.790) 9.180 13.832 ( 2.346 0.000 12.957) 13.167 17.074 ( -28.926 0.000 -38.443) 48.110 ======================= Grid point 131 (47/312) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -5.794 14.553 14.277) 21.194 0.957 ( -1.285 24.500 24.705) 34.817 1.827 ( -0.523 46.764 46.772) 66.142 3.519 ( -0.491 -14.038 -14.024) 19.849 4.173 ( 0.555 3.523 3.522) 5.012 4.242 ( 0.202 6.237 6.225) 8.814 4.845 ( 0.660 11.819 11.842) 16.744 4.887 ( 0.025 10.518 10.532) 14.885 5.486 ( -0.243 0.336 0.342) 0.537 5.867 ( -0.050 -11.103 -11.079) 15.685 6.051 ( 0.298 -2.265 -2.283) 3.230 6.147 ( -0.002 -9.040 -9.033) 12.780 6.446 ( 0.233 4.267 4.231) 6.014 6.832 ( -1.137 3.281 3.275) 4.773 7.353 ( -0.188 -3.721 -3.751) 5.286 7.526 ( -0.437 7.070 7.061) 10.002 7.630 ( 0.889 8.614 8.639) 12.232 8.431 ( -0.175 19.313 19.304) 27.307 9.398 ( -0.228 -8.392 -8.345) 11.838 9.543 ( -0.203 -0.787 -0.820) 1.155 9.808 ( -0.009 -1.723 -1.717) 2.432 10.101 ( 0.430 -4.415 -4.395) 6.244 10.301 ( 0.448 0.265 0.351) 0.627 10.327 ( -0.012 -6.656 -6.714) 9.454 10.789 ( 0.298 -12.948 -12.958) 18.321 10.839 ( -0.073 -0.417 -0.674) 0.796 10.893 ( 0.232 6.576 6.759) 9.433 11.380 ( 0.268 -4.703 -4.695) 6.651 11.850 ( -0.060 10.744 10.763) 15.208 12.462 ( -0.109 -15.239 -15.294) 21.591 12.780 ( 3.112 -5.998 -6.092) 9.098 12.810 ( -3.028 -2.415 -2.263) 4.486 13.827 ( 0.628 -0.934 -0.934) 1.463 13.998 ( -0.375 15.263 15.258) 21.585 14.029 ( 0.943 -2.541 -2.548) 3.720 16.222 ( -0.291 -4.360 -4.357) 6.171 ======================= Grid point 132 (48/312) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 4.864 21.895 22.915) 32.065 1.039 ( 39.334 7.293 5.190) 40.339 1.863 ( 5.236 44.880 43.467) 62.698 3.557 ( 4.283 -13.375 -14.189) 19.964 4.235 ( 4.728 4.459 4.665) 8.000 4.307 ( 5.370 5.259 5.553) 9.345 4.675 ( -9.604 8.263 8.806) 15.429 4.886 ( 0.907 7.673 6.925) 10.376 5.730 ( 16.723 4.271 4.846) 17.927 5.964 ( 8.847 -10.213 -11.039) 17.449 6.030 ( -1.790 -8.203 -6.866) 10.846 6.231 ( 6.980 -3.467 -3.268) 8.451 6.436 ( -0.009 4.333 4.311) 6.112 6.839 ( 1.942 4.429 3.343) 5.879 7.320 ( -2.704 -2.327 -2.515) 4.364 7.507 ( -1.257 6.586 6.274) 9.182 7.645 ( 0.640 8.546 9.423) 12.737 8.260 ( -12.384 22.586 22.356) 34.107 9.407 ( 1.183 -6.402 -8.607) 10.792 9.542 ( 0.115 -1.580 0.271) 1.607 9.941 ( 8.123 -7.504 -7.357) 13.282 10.120 ( 0.939 -5.072 -3.690) 6.342 10.222 ( -7.510 -6.361 -6.689) 11.899 10.309 ( 0.296 -0.482 0.543) 0.784 10.705 ( -11.149 -1.823 -1.071) 11.348 10.846 ( -4.584 7.442 6.120) 10.670 10.940 ( 12.167 -11.366 -11.342) 20.147 11.479 ( 7.953 -2.658 -3.213) 8.980 11.873 ( 2.299 9.420 9.959) 13.900 12.433 ( -20.318 -3.749 -3.703) 20.990 12.445 ( -17.483 -6.017 -5.273) 19.226 12.742 ( -6.943 -4.648 -5.269) 9.877 13.492 ( -16.168 15.094 15.431) 26.969 13.815 ( -3.058 0.152 0.771) 3.157 13.936 ( -5.851 14.762 14.432) 21.457 16.800 ( 30.440 -22.462 -22.420) 43.974 ======================= Grid point 133 (49/312) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 4.691 21.763 22.065) 31.344 1.658 ( 15.035 27.628 26.190) 40.930 2.203 ( 32.646 16.521 14.410) 39.324 3.680 ( 7.748 -12.081 -13.133) 19.454 4.306 ( 1.380 5.849 5.843) 8.382 4.374 ( -0.585 10.886 11.561) 15.891 4.623 ( 5.380 -4.248 -3.620) 7.752 4.973 ( 8.488 2.058 1.153) 8.810 5.947 ( -1.233 -8.689 -9.323) 12.804 6.069 ( 12.251 10.275 10.763) 19.274 6.173 ( 10.591 -11.454 -10.205) 18.642 6.295 ( -0.772 0.959 1.627) 2.040 6.568 ( 12.807 2.894 3.151) 13.502 6.909 ( 4.807 6.998 5.354) 10.037 7.268 ( -1.784 -1.426 -2.709) 3.543 7.494 ( 0.638 4.717 5.076) 6.958 7.659 ( 1.008 8.531 9.951) 13.146 8.037 ( -9.649 19.431 18.907) 28.778 9.442 ( 2.219 -2.144 -8.045) 8.617 9.547 ( 0.243 -3.053 2.572) 3.999 9.938 ( -8.673 -11.351 -11.596) 18.399 10.078 ( -7.694 -4.771 -2.724) 9.454 10.154 ( 0.077 -1.154 -1.954) 2.270 10.313 ( 0.254 -2.722 -2.157) 3.482 10.500 ( -6.416 -2.067 0.774) 6.785 10.722 ( -7.143 7.466 5.375) 11.648 11.207 ( 13.341 -10.129 -9.981) 19.499 11.647 ( 8.260 0.172 -1.721) 8.439 11.683 ( -31.829 14.172 15.657) 38.198 11.968 ( 4.659 5.122 5.837) 9.056 12.384 ( -3.120 -13.382 -12.615) 18.654 12.576 ( -8.937 -6.009 -6.772) 12.722 13.442 ( 3.988 7.448 7.520) 11.310 13.721 ( -6.524 0.419 1.724) 6.761 13.776 ( -9.879 13.193 12.209) 20.511 17.182 ( 10.666 -20.268 -19.755) 30.246 ======================= Grid point 134 (50/312) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 5.359 19.973 20.037) 28.795 1.827 ( 5.688 39.998 37.914) 55.405 2.918 ( 34.191 -0.079 -1.390) 34.219 3.845 ( 8.303 -9.366 -10.256) 16.181 4.290 ( -2.356 3.712 3.611) 5.690 4.333 ( -2.327 12.082 12.576) 17.594 4.799 ( 10.241 -9.930 -9.461) 17.117 5.201 ( 13.015 -1.208 -1.754) 13.188 5.878 ( -4.238 -11.535 -11.810) 17.044 6.283 ( 1.412 0.156 -0.307) 1.454 6.324 ( 10.373 17.988 16.032) 26.233 6.346 ( 6.563 -11.788 -7.277) 15.329 6.779 ( 5.122 3.508 5.006) 7.975 6.993 ( 2.455 10.472 6.532) 12.584 7.292 ( 4.115 -1.387 -2.415) 4.969 7.545 ( 3.006 3.391 5.203) 6.900 7.730 ( 8.573 6.368 7.267) 12.917 7.911 ( -0.629 13.316 12.484) 18.264 9.485 ( 1.328 2.262 -8.804) 9.187 9.546 ( -0.947 -6.142 5.166) 8.082 9.707 ( -13.010 -3.924 -4.386) 14.279 9.783 ( -19.763 -1.777 -2.245) 19.969 10.116 ( -3.783 -1.576 -0.640) 4.147 10.324 ( 0.690 -4.730 -3.777) 6.092 10.475 ( 1.835 -2.904 2.030) 3.990 10.586 ( -6.742 6.250 2.436) 9.510 11.109 ( -21.114 14.528 14.525) 29.459 11.488 ( 10.846 -10.250 -9.877) 17.895 11.801 ( 6.797 0.476 -0.176) 6.816 12.090 ( 5.406 -1.085 -1.154) 5.633 12.326 ( -2.333 -9.637 -8.648) 13.157 12.422 ( -4.692 -3.453 -3.668) 6.885 13.533 ( 0.338 1.437 3.745) 4.026 13.563 ( -10.839 11.059 8.115) 17.483 13.565 ( -5.229 2.269 2.972) 6.428 17.308 ( 3.288 -16.761 -16.097) 23.470 ======================= Grid point 135 (51/312) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 4.015 18.804 18.699) 26.821 1.924 ( 3.883 41.386 39.738) 57.506 3.470 ( 19.906 -4.357 -4.897) 20.957 3.990 ( 5.864 -3.829 -4.384) 8.262 4.236 ( -2.633 -2.095 -2.172) 4.005 4.301 ( -0.713 11.971 12.208) 17.113 4.983 ( 7.386 -12.225 -12.120) 18.732 5.436 ( 9.342 -2.961 -3.118) 10.284 5.795 ( -3.587 -12.041 -12.069) 17.422 6.328 ( 3.046 0.703 0.893) 3.251 6.418 ( 1.719 -9.820 -10.405) 14.410 6.494 ( 4.947 17.536 19.585) 26.750 6.789 ( -1.712 1.419 2.398) 3.271 7.008 ( 0.048 11.593 7.400) 13.754 7.317 ( -2.175 6.191 6.038) 8.918 7.565 ( -0.465 5.511 7.680) 9.464 8.023 ( 18.265 0.175 -0.834) 18.285 8.113 ( 18.970 3.641 4.271) 19.783 9.281 ( -20.022 -3.193 -3.325) 20.546 9.359 ( -20.772 1.048 1.562) 20.857 9.532 ( 0.312 4.203 -2.528) 4.915 9.613 ( 1.075 2.020 7.454) 7.797 10.046 ( -2.303 -3.725 -2.521) 5.053 10.334 ( 0.169 -5.826 -1.917) 6.135 10.407 ( -9.842 5.645 3.197) 11.788 10.525 ( 1.598 -1.759 -1.859) 3.017 10.831 ( -6.774 12.306 12.177) 18.591 11.680 ( 8.046 -10.487 -10.272) 16.740 11.906 ( 3.493 -1.281 -1.499) 4.011 12.082 ( -5.154 -10.239 -10.519) 15.557 12.301 ( -0.228 -2.457 -2.720) 3.672 12.475 ( 8.219 2.685 3.545) 9.345 13.344 ( -10.370 0.047 5.146) 11.576 13.369 ( -7.609 8.606 3.555) 12.025 13.629 ( 3.095 1.170 1.082) 3.481 17.342 ( 0.641 -15.134 -14.685) 21.097 ======================= Grid point 136 (52/312) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 1.071 18.518 18.325) 26.074 1.977 ( 1.136 41.183 40.852) 58.019 3.676 ( 0.571 -5.470 -5.423) 7.724 4.055 ( 0.025 2.606 2.584) 3.669 4.206 ( 0.188 -8.791 -8.826) 12.458 4.299 ( -0.034 11.761 11.801) 16.661 5.061 ( -0.034 -12.878 -13.015) 18.309 5.531 ( -0.428 -3.717 -3.719) 5.275 5.753 ( -0.298 -12.484 -12.424) 17.615 6.365 ( -0.340 1.612 1.637) 2.323 6.427 ( -0.285 -9.832 -9.855) 13.924 6.533 ( -0.347 17.214 17.186) 24.327 6.766 ( 0.019 0.686 0.208) 0.717 7.027 ( 2.092 10.667 9.726) 14.587 7.288 ( 0.504 9.720 9.856) 13.852 7.546 ( -1.172 6.086 7.290) 9.568 8.277 ( 0.639 -5.807 -5.993) 8.369 8.415 ( 0.135 0.419 0.436) 0.619 8.976 ( -0.270 0.639 0.543) 0.881 9.083 ( -0.632 6.004 6.125) 8.601 9.537 ( 0.148 1.159 0.562) 1.296 9.632 ( 0.231 6.001 6.261) 8.675 10.029 ( -0.250 -4.375 -4.194) 6.066 10.273 ( -0.461 4.895 4.769) 6.850 10.340 ( -0.130 -3.400 -3.149) 4.636 10.535 ( -0.809 -2.725 -2.895) 4.058 10.777 ( 0.102 10.537 10.718) 15.030 11.776 ( -0.260 -10.814 -10.802) 15.287 11.939 ( -0.048 -3.002 -2.979) 4.230 12.004 ( 0.162 -10.688 -10.620) 15.068 12.301 ( -0.213 1.454 1.433) 2.052 12.590 ( -0.051 2.570 2.563) 3.630 13.209 ( -0.734 2.928 3.219) 4.413 13.296 ( 0.792 4.450 4.273) 6.220 13.661 ( 0.115 0.399 0.377) 0.561 17.342 ( -0.436 -14.627 -14.621) 20.686 ======================= Grid point 137 (53/312) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -2.254 19.153 18.858) 26.973 1.967 ( -2.265 40.375 41.485) 57.934 3.494 ( -18.612 -4.806 -4.269) 19.691 3.994 ( -5.457 -3.575 -3.083) 7.216 4.240 ( 2.588 -2.846 -2.788) 4.751 4.298 ( 0.281 12.059 11.892) 16.938 4.980 ( -7.479 -11.826 -12.175) 18.548 5.420 ( -9.952 -3.196 -2.965) 10.865 5.785 ( 3.295 -12.307 -12.266) 17.685 6.317 ( -3.494 0.570 0.332) 3.556 6.410 ( -1.714 -10.625 -9.926) 14.641 6.484 ( -5.232 19.211 16.901) 26.117 6.788 ( 1.605 2.677 1.506) 3.465 7.082 ( 2.692 9.866 12.337) 16.025 7.334 ( 2.738 6.259 6.569) 9.478 7.523 ( -1.092 6.075 5.630) 8.354 8.035 ( -18.346 -0.696 -0.207) 18.361 8.113 ( -19.119 4.162 3.976) 19.967 9.277 ( 20.302 -2.932 -3.274) 20.773 9.345 ( 20.656 1.331 1.021) 20.724 9.538 ( -0.048 -1.530 3.358) 3.690 9.620 ( -1.028 6.996 3.044) 7.699 10.035 ( 1.708 -3.042 -3.938) 5.261 10.329 ( -0.457 -1.921 -6.127) 6.437 10.395 ( 9.590 2.923 5.259) 11.321 10.496 ( -2.607 -2.476 -1.953) 4.091 10.833 ( 6.561 12.155 12.441) 18.589 11.673 ( -8.193 -10.660 -10.848) 17.275 11.902 ( -3.836 -1.317 -1.083) 4.198 12.084 ( 5.053 -10.206 -9.797) 15.022 12.298 ( 0.475 -2.955 -2.766) 4.076 12.470 ( -8.585 3.360 2.546) 9.565 13.321 ( 9.636 3.078 1.295) 10.198 13.395 ( 8.407 5.517 7.423) 12.499 13.632 ( -3.000 1.012 1.071) 3.343 17.325 ( -1.290 -14.963 -15.399) 21.510 ======================= Grid point 138 (54/312) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -4.630 20.537 20.121) 29.121 1.893 ( -5.354 38.835 40.589) 56.430 2.965 ( -33.364 -1.238 -0.035) 33.387 3.858 ( -7.824 -9.560 -8.684) 15.101 4.289 ( 1.944 3.005 3.079) 4.721 4.319 ( 1.790 12.326 11.827) 17.176 4.796 ( -10.141 -9.111 -9.781) 16.779 5.178 ( -13.019 -1.958 -1.248) 13.224 5.864 ( 4.196 -12.026 -11.826) 17.380 6.266 ( -1.214 -0.324 -0.248) 1.281 6.314 ( -10.627 16.174 17.582) 26.146 6.343 ( -6.131 -8.502 -12.309) 16.167 6.776 ( -5.158 5.053 3.841) 8.178 7.095 ( -2.508 9.309 12.417) 15.721 7.309 ( -4.615 -2.344 -1.338) 5.346 7.505 ( -0.684 5.505 3.720) 6.680 7.722 ( -11.016 5.381 5.019) 13.247 7.914 ( 1.010 12.808 13.739) 18.810 9.501 ( -1.158 -7.643 2.264) 8.055 9.555 ( 1.281 5.042 -5.870) 7.843 9.704 ( 13.068 -4.272 -3.573) 14.205 9.769 ( 19.728 -2.475 -1.991) 19.983 10.096 ( 3.631 -1.125 -1.738) 4.180 10.307 ( -1.557 -4.085 -5.047) 6.677 10.441 ( -1.259 1.270 -3.375) 3.820 10.579 ( 7.143 2.281 5.831) 9.499 11.101 ( 20.380 14.292 14.292) 28.703 11.478 ( -10.821 -10.272 -10.634) 18.322 11.791 ( -6.984 -0.332 0.297) 6.998 12.084 ( -5.793 -0.605 -0.498) 5.846 12.331 ( 2.695 -8.273 -9.458) 12.851 12.416 ( 4.846 -4.233 -3.764) 7.455 13.518 ( 7.553 2.380 0.545) 7.938 13.551 ( -3.086 2.616 3.202) 5.159 13.596 ( 10.838 9.310 10.618) 17.802 17.282 ( -3.359 -16.487 -17.138) 24.017 ======================= Grid point 139 (55/312) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -5.362 22.332 21.840) 31.693 1.731 ( -14.102 28.844 30.036) 43.966 2.250 ( -33.966 13.138 15.184) 39.457 3.700 ( -7.544 -12.703 -11.594) 18.780 4.294 ( -2.036 5.198 5.119) 7.574 4.353 ( 0.442 11.324 10.576) 15.501 4.622 ( -5.377 -3.397 -4.154) 7.597 4.958 ( -7.825 1.175 2.280) 8.235 5.929 ( 0.703 -8.919 -8.484) 12.329 6.072 ( -11.284 10.078 9.634) 17.936 6.175 ( -10.420 -10.343 -11.512) 18.657 6.277 ( 0.951 1.193 0.441) 1.588 6.566 ( -12.821 3.223 2.938) 13.543 6.990 ( -6.479 6.917 8.392) 12.659 7.277 ( 1.571 -2.597 -1.398) 3.342 7.505 ( 0.710 5.919 5.235) 7.934 7.612 ( -1.505 8.385 7.602) 11.418 8.045 ( 9.617 19.052 19.577) 28.961 9.457 ( -2.403 -7.018 -2.022) 7.688 9.557 ( -0.284 2.367 -2.391) 3.376 9.938 ( 8.651 -11.482 -11.320) 18.298 10.062 ( 7.606 -2.881 -5.468) 9.801 10.139 ( 0.628 -2.042 -0.654) 2.234 10.281 ( -0.324 -2.083 -2.889) 3.576 10.490 ( 7.569 0.159 -2.558) 7.991 10.714 ( 6.900 4.989 7.141) 11.113 11.195 ( -13.151 -10.359 -10.502) 19.763 11.636 ( -8.287 -1.764 -0.512) 8.488 11.673 ( 32.321 14.988 14.079) 38.308 11.959 ( -5.081 6.004 5.339) 9.506 12.392 ( 3.151 -12.047 -12.969) 17.979 12.571 ( 8.997 -6.936 -5.990) 12.843 13.441 ( -4.408 7.005 6.978) 10.826 13.691 ( 6.925 1.097 -0.004) 7.012 13.802 ( 9.298 12.466 13.304) 20.466 17.161 ( -10.037 -20.037 -20.534) 30.395 ======================= Grid point 140 (56/312) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -5.467 23.776 22.394) 33.116 1.126 ( -41.092 5.694 7.915) 42.233 1.881 ( -6.338 43.437 44.872) 62.773 3.574 ( -4.767 -13.990 -13.116) 19.761 4.218 ( -4.375 4.166 3.903) 7.193 4.297 ( -4.700 5.891 5.546) 9.357 4.665 ( 9.212 8.439 7.834) 14.746 4.883 ( -0.576 7.086 7.964) 10.675 5.728 ( -16.119 4.399 3.806) 17.136 5.966 ( -8.794 -11.218 -10.089) 17.463 6.026 ( 1.586 -6.163 -7.779) 10.050 6.225 ( -6.276 -3.502 -3.704) 8.085 6.430 ( -0.058 4.113 4.065) 5.783 6.883 ( -4.027 4.059 5.133) 7.684 7.326 ( 2.515 -2.386 -2.321) 4.172 7.522 ( 0.688 6.703 7.108) 9.794 7.611 ( 0.770 8.742 7.903) 11.809 8.265 ( 12.071 22.336 22.563) 33.966 9.416 ( -1.553 -8.170 -6.143) 10.339 9.550 ( -0.404 0.306 -1.335) 1.428 9.939 ( -7.903 -6.982 -7.131) 12.730 10.105 ( -0.455 -4.058 -5.395) 6.766 10.221 ( 7.749 -6.502 -6.331) 11.933 10.290 ( 0.663 0.288 -0.639) 0.965 10.706 ( 11.300 -0.910 -1.955) 11.504 10.837 ( 4.671 5.663 7.139) 10.239 10.932 ( -11.716 -11.544 -11.522) 20.081 11.471 ( -7.688 -3.456 -2.959) 8.933 11.874 ( -2.362 9.924 9.451) 13.906 12.422 ( 34.004 4.132 4.085) 34.497 12.445 ( 3.894 -12.988 -13.886) 19.408 12.744 ( 7.908 -4.912 -4.128) 10.183 13.478 ( 15.228 14.506 14.204) 25.378 13.798 ( 3.936 0.528 -0.086) 3.973 13.950 ( 5.124 14.515 14.847) 21.386 16.794 ( -29.477 -22.520 -22.551) 43.412 ======================= Grid point 141 (57/312) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -2.933 20.990 9.847) 23.370 1.568 ( -0.931 36.173 6.557) 36.774 2.790 ( -0.318 52.209 31.385) 60.917 3.203 ( -0.086 -18.213 -10.095) 20.824 4.260 ( 0.495 4.564 3.108) 5.544 4.366 ( 0.184 6.420 8.077) 10.320 5.137 ( -0.684 14.426 3.199) 14.792 5.168 ( 1.830 20.464 9.247) 22.531 5.476 ( -0.970 -1.391 0.818) 1.883 5.630 ( 0.328 -12.666 -14.426) 19.200 5.955 ( -3.518 -9.317 -5.609) 11.430 5.979 ( 3.177 -5.006 -0.149) 5.931 6.528 ( 0.265 3.637 6.828) 7.740 6.924 ( -0.672 3.133 1.564) 3.566 7.167 ( -0.552 -5.552 12.537) 13.723 7.853 ( 0.774 14.480 6.405) 15.852 7.899 ( -0.346 22.935 -10.178) 25.094 8.747 ( -0.123 14.864 25.140) 29.206 9.148 ( 0.225 -17.928 -6.786) 19.171 9.499 ( -0.616 -4.188 0.588) 4.274 9.783 ( -0.213 -0.352 -3.876) 3.898 9.958 ( 0.073 -10.868 -1.023) 10.916 10.197 ( -0.345 -5.812 -4.317) 7.248 10.278 ( 0.322 -2.471 0.591) 2.561 10.523 ( 0.594 -14.135 -7.471) 15.999 10.781 ( -0.037 -0.108 3.004) 3.006 11.147 ( 0.681 13.981 -6.110) 15.273 11.251 ( 0.259 -8.917 -5.719) 10.597 12.042 ( -0.029 3.982 2.169) 4.534 12.114 ( -0.354 -15.307 -2.730) 15.553 12.641 ( 1.015 -8.185 -6.579) 10.551 12.756 ( -0.978 -3.381 -1.354) 3.771 13.807 ( 0.609 -1.147 -1.170) 1.748 13.964 ( 0.471 -4.053 -2.121) 4.599 14.336 ( -0.261 19.218 7.243) 20.539 16.107 ( 0.013 -7.741 -4.995) 9.213 ======================= Grid point 142 (58/312) ======================= q-point: ( 0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 35.117 12.535 3.817) 37.482 1.575 ( 1.646 36.234 5.513) 36.687 2.794 ( 0.982 50.585 30.804) 59.234 3.258 ( 5.527 -17.037 -10.388) 20.705 4.327 ( 5.517 3.801 4.325) 7.975 4.396 ( 2.711 4.821 6.942) 8.876 4.919 ( -13.499 15.849 8.301) 22.412 5.086 ( -3.778 11.481 -2.344) 12.311 5.673 ( 6.257 -13.169 -4.069) 15.137 5.795 ( 9.643 -7.062 -11.862) 16.840 5.944 ( 11.135 4.033 2.107) 12.028 6.144 ( 10.688 -5.161 0.183) 11.870 6.504 ( -1.786 2.198 6.914) 7.472 6.955 ( 3.870 5.178 1.543) 6.646 7.150 ( -1.054 -6.096 11.945) 13.452 7.866 ( 0.507 14.495 6.488) 15.889 7.869 ( -2.613 22.582 -9.443) 24.616 8.620 ( -10.874 15.157 21.603) 28.543 9.188 ( 3.058 -15.980 -3.354) 16.612 9.510 ( 1.635 -2.475 -0.729) 3.055 9.830 ( 2.248 -3.505 -7.154) 8.277 9.973 ( 1.124 -10.200 -0.929) 10.304 10.093 ( -5.044 -6.679 -2.338) 8.690 10.276 ( -0.358 -2.896 -0.246) 2.928 10.624 ( -12.382 -2.527 2.375) 12.859 10.705 ( 13.222 -12.304 -5.534) 18.890 11.100 ( -4.225 13.780 -5.787) 15.531 11.391 ( 10.117 -5.769 -2.086) 11.832 12.036 ( -0.941 -2.532 -0.340) 2.722 12.111 ( 0.571 -8.927 -2.853) 9.389 12.445 ( -19.887 -3.410 -0.513) 20.184 12.678 ( -7.936 -2.010 -4.861) 9.521 13.683 ( -12.003 3.647 0.839) 12.572 13.812 ( -6.184 0.325 4.564) 7.692 14.275 ( -5.709 19.484 5.649) 21.074 16.391 ( 20.405 -19.607 -10.506) 30.186 ======================= Grid point 143 (59/312) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 3.515 35.873 3.919) 36.257 1.935 ( 35.014 7.693 1.803) 35.894 2.854 ( 5.666 44.411 28.247) 52.937 3.412 ( 9.574 -15.289 -10.273) 20.760 4.424 ( 1.504 6.254 5.604) 8.531 4.470 ( 5.742 -2.778 4.079) 7.572 4.718 ( -7.104 15.561 8.942) 19.303 5.081 ( 4.491 7.651 -8.991) 12.631 5.675 ( -3.336 -16.847 -4.189) 17.678 5.958 ( 8.328 -10.972 -13.947) 19.602 6.230 ( 7.771 1.309 1.755) 8.074 6.378 ( 12.685 10.446 8.493) 18.497 6.552 ( 9.846 -4.063 7.515) 13.036 7.071 ( 6.580 9.954 3.432) 12.416 7.148 ( 2.612 -6.913 6.849) 10.076 7.798 ( -4.106 21.240 -7.875) 23.022 7.878 ( 0.749 14.089 6.844) 15.681 8.378 ( -12.497 15.153 16.349) 25.555 9.245 ( 2.256 -16.212 1.144) 16.408 9.566 ( 4.053 3.253 -3.707) 6.384 9.781 ( -5.752 -4.867 -9.418) 12.061 9.961 ( -3.910 -7.840 -1.780) 8.940 10.100 ( 3.591 -4.486 1.130) 5.856 10.235 ( -6.188 -4.663 -2.395) 8.110 10.392 ( -6.483 -4.788 7.034) 10.697 10.959 ( 1.192 3.020 -2.580) 4.147 11.018 ( 6.512 -0.036 -9.029) 11.132 11.589 ( 9.206 -4.484 3.096) 10.698 11.914 ( -27.447 5.869 5.411) 28.584 12.004 ( -4.213 -10.135 -1.222) 11.044 12.160 ( 3.724 1.672 -6.389) 7.582 12.492 ( -8.826 -2.412 -5.630) 10.743 13.564 ( -0.708 3.664 2.522) 4.504 13.668 ( -9.208 -3.460 8.118) 12.754 14.121 ( -9.494 20.046 1.674) 22.243 16.723 ( 12.067 -26.102 -13.032) 31.572 ======================= Grid point 144 (60/312) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 3.991 34.937 2.657) 35.264 2.497 ( 19.396 22.257 13.405) 32.423 3.062 ( 15.814 21.981 14.273) 30.610 3.622 ( 11.212 -13.288 -9.180) 19.661 4.377 ( -5.137 5.056 3.361) 7.953 4.610 ( 7.445 -5.943 0.820) 9.561 4.618 ( -3.221 14.473 9.557) 17.641 5.248 ( 10.617 4.303 -10.934) 15.837 5.594 ( -4.527 -16.792 -3.395) 17.720 6.088 ( 4.534 -14.236 -12.290) 19.346 6.275 ( 0.719 -1.829 0.034) 1.966 6.637 ( 12.049 11.126 7.615) 18.081 6.758 ( 5.654 -1.831 15.538) 16.636 7.208 ( 9.891 6.939 0.819) 12.110 7.285 ( 7.202 3.652 0.150) 8.076 7.731 ( -1.713 15.698 -3.127) 16.097 7.913 ( 3.534 12.478 5.194) 13.970 8.173 ( -6.233 13.297 11.246) 18.497 9.265 ( -0.654 -16.002 1.963) 16.135 9.632 ( -4.177 2.693 -8.074) 9.481 9.669 ( -2.219 2.152 0.316) 3.107 9.781 ( -9.949 2.955 -2.438) 10.661 10.049 ( -8.278 -7.108 6.956) 12.939 10.184 ( 3.124 -5.244 -0.279) 6.111 10.385 ( 2.493 -5.435 1.785) 6.240 10.829 ( -7.870 14.152 -7.497) 17.844 11.269 ( 10.789 -8.625 -6.217) 15.147 11.390 ( -21.628 10.334 9.720) 25.866 11.745 ( 6.213 -5.218 6.228) 10.229 11.931 ( -4.078 -13.936 -4.715) 15.267 12.215 ( -0.049 -3.428 -12.725) 13.179 12.418 ( 3.805 4.061 -0.077) 5.565 13.447 ( -12.617 -7.065 11.749) 18.632 13.588 ( 2.079 0.530 1.673) 2.721 13.914 ( -10.891 20.527 -2.708) 23.395 16.885 ( 4.949 -26.413 -12.875) 29.797 ======================= Grid point 145 (61/312) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 3.085 33.815 2.054) 34.017 2.737 ( 6.846 40.428 28.126) 49.723 3.399 ( 14.509 -1.220 -1.250) 14.614 3.840 ( 10.292 -11.353 -7.703) 17.151 4.250 ( -7.167 3.451 0.924) 8.008 4.575 ( -1.172 15.773 10.010) 18.717 4.750 ( 5.801 -10.211 -2.347) 11.976 5.432 ( 5.801 -3.953 -9.445) 11.768 5.513 ( -2.195 -11.630 -2.993) 12.208 6.136 ( 0.552 -17.679 -10.834) 20.742 6.315 ( 3.298 -1.440 -0.660) 3.658 6.783 ( 0.502 8.654 21.539) 23.218 6.819 ( 3.831 3.568 -6.367) 8.242 7.338 ( 1.075 19.707 1.626) 19.803 7.391 ( 3.905 1.352 3.431) 5.371 7.725 ( -0.096 10.742 2.425) 11.013 8.044 ( 8.806 2.792 1.243) 9.321 8.230 ( 12.560 9.152 5.664) 16.541 9.180 ( -9.935 -7.574 -1.985) 12.649 9.363 ( -14.661 -1.422 6.122) 15.951 9.577 ( -4.017 4.670 -0.148) 6.162 9.804 ( 4.280 13.061 -0.180) 13.746 9.905 ( -5.310 -9.709 7.978) 13.642 10.254 ( 4.249 -0.087 -3.333) 5.401 10.436 ( 2.123 -4.652 -0.979) 5.206 10.645 ( -10.855 13.523 -5.434) 18.172 11.045 ( -10.060 9.665 10.562) 17.498 11.476 ( 7.443 -10.448 -10.831) 16.789 11.814 ( -1.010 -11.752 -2.087) 11.979 11.851 ( -1.843 -8.379 -4.099) 9.508 12.230 ( 2.850 -5.208 1.001) 6.021 12.571 ( 8.649 6.955 -2.251) 11.325 13.198 ( -11.288 -10.328 12.743) 19.912 13.617 ( -0.321 0.071 -0.574) 0.662 13.718 ( -7.115 19.274 -4.141) 20.958 16.944 ( 1.442 -25.869 -12.700) 28.854 ======================= Grid point 146 (62/312) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.919 33.122 2.239) 33.211 2.814 ( 1.056 44.457 32.439) 55.044 3.554 ( 0.244 -7.083 -5.066) 8.711 3.985 ( 0.373 -13.467 -8.080) 15.709 4.136 ( -0.421 5.498 1.218) 5.647 4.565 ( -0.084 15.484 9.983) 18.424 4.812 ( -0.091 -11.234 -3.961) 11.912 5.442 ( -0.072 -19.204 -0.541) 19.212 5.532 ( -0.541 2.228 -10.711) 10.953 6.137 ( 0.231 -18.864 -9.377) 21.067 6.358 ( -0.355 -0.903 -1.840) 2.080 6.787 ( -0.058 8.940 21.314) 23.113 6.840 ( -0.068 4.872 -12.741) 13.641 7.358 ( 1.387 21.054 3.064) 21.321 7.424 ( 0.795 3.826 8.244) 9.123 7.713 ( -1.009 10.714 3.530) 11.326 8.158 ( -0.108 -5.262 -0.695) 5.308 8.477 ( 1.118 7.128 1.389) 7.347 8.950 ( -1.262 -3.027 1.743) 3.714 9.221 ( 0.004 4.479 6.166) 7.621 9.531 ( -0.767 2.965 1.979) 3.646 9.840 ( -0.051 -14.145 8.392) 16.447 9.871 ( 0.846 16.265 1.014) 16.318 10.359 ( 3.292 4.983 -11.099) 12.603 10.451 ( -2.763 12.934 3.886) 13.785 10.457 ( -1.339 -4.929 -2.519) 5.695 10.956 ( 0.127 7.427 7.991) 10.910 11.553 ( -0.575 -11.942 -13.004) 17.665 11.770 ( 0.236 -13.606 -9.478) 16.583 11.851 ( -0.012 -5.376 -0.006) 5.376 12.273 ( -0.384 -3.913 7.828) 8.760 12.676 ( 0.148 6.263 -2.510) 6.749 13.069 ( 0.179 -11.896 12.447) 17.219 13.574 ( -0.148 12.365 -6.530) 13.984 13.675 ( 0.121 6.434 0.247) 6.440 16.953 ( -0.320 -25.553 -12.865) 28.610 ======================= Grid point 147 (63/312) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -1.562 33.187 3.087) 33.367 2.778 ( -5.121 41.132 30.537) 51.484 3.408 ( -14.086 -2.479 -1.728) 14.406 3.845 ( -10.238 -11.594 -7.120) 17.028 4.242 ( 6.990 3.134 0.547) 7.680 4.572 ( 0.901 15.759 9.666) 18.509 4.746 ( -5.944 -10.600 -2.284) 12.366 5.429 ( -7.257 -1.542 -9.542) 12.087 5.493 ( 2.676 -13.343 -3.398) 14.026 6.145 ( -0.090 -16.887 -11.232) 20.282 6.303 ( -3.719 -1.451 -1.026) 4.121 6.787 ( -0.986 10.293 20.389) 22.861 6.812 ( -3.420 1.933 -5.295) 6.593 7.384 ( 0.278 11.946 4.349) 12.716 7.424 ( -2.277 8.872 3.877) 9.946 7.693 ( -0.674 11.241 1.364) 11.344 8.042 ( -8.837 2.149 0.563) 9.112 8.238 ( -13.631 9.287 6.165) 17.608 9.177 ( 11.228 -7.572 -2.416) 13.756 9.345 ( 12.910 -2.162 6.394) 14.567 9.556 ( 3.970 5.421 -0.627) 6.748 9.834 ( -2.490 10.846 0.984) 11.171 9.903 ( 4.355 -7.900 7.354) 11.639 10.273 ( -5.047 0.810 -3.161) 6.010 10.424 ( -2.607 -4.866 -1.508) 5.722 10.609 ( 11.205 14.317 -6.878) 19.438 11.047 ( 9.784 9.797 10.748) 17.528 11.461 ( -7.682 -11.147 -11.825) 17.975 11.809 ( -0.432 -11.121 0.002) 11.129 11.854 ( 2.613 -8.992 -4.678) 10.467 12.223 ( -2.638 -5.157 -0.149) 5.795 12.574 ( -8.588 7.237 -2.231) 11.450 13.201 ( 11.043 -10.027 12.506) 19.465 13.614 ( 0.486 0.210 -0.662) 0.847 13.721 ( 7.080 18.677 -3.878) 20.347 16.931 ( -1.908 -25.593 -13.221) 28.869 ======================= Grid point 148 (64/312) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -3.347 33.913 4.336) 34.352 2.566 ( -18.662 22.156 16.302) 33.241 3.077 ( -15.617 21.105 14.685) 30.083 3.628 ( -11.152 -13.848 -8.531) 19.721 4.365 ( 4.764 4.589 2.941) 7.239 4.601 ( -4.615 3.996 3.043) 6.821 4.614 ( 0.150 4.140 6.764) 7.932 5.229 ( -10.813 5.228 -11.008) 16.292 5.574 ( 4.399 -16.881 -4.105) 17.921 6.104 ( -4.087 -13.075 -12.214) 18.353 6.261 ( -0.519 -1.953 -1.052) 2.279 6.620 ( -12.263 10.406 6.438) 17.324 6.771 ( -5.748 -1.179 16.474) 17.488 7.261 ( -9.450 -1.671 -0.653) 9.619 7.333 ( -8.050 11.801 6.202) 15.574 7.715 ( 3.345 16.156 -2.510) 16.688 7.894 ( -4.873 12.443 1.585) 13.457 8.170 ( 6.420 13.172 12.338) 19.156 9.257 ( -0.037 -15.458 2.463) 15.653 9.617 ( 8.649 -1.218 -7.485) 11.503 9.705 ( 4.467 2.347 0.518) 5.073 9.783 ( 5.405 6.413 -3.074) 8.932 10.028 ( 7.083 -7.242 6.440) 12.004 10.192 ( -3.360 -4.403 -0.866) 5.606 10.368 ( -2.415 -5.241 1.550) 5.975 10.805 ( 8.469 14.638 -9.037) 19.174 11.248 ( -10.418 -8.880 -6.374) 15.100 11.387 ( 20.653 10.077 8.902) 24.644 11.723 ( -6.630 -5.664 6.016) 10.594 11.939 ( 4.321 -13.231 -4.206) 14.540 12.217 ( 0.713 -3.988 -12.306) 12.956 12.419 ( -4.310 4.786 -0.494) 6.460 13.442 ( 12.013 -6.682 10.782) 17.471 13.585 ( -2.247 0.353 1.323) 2.631 13.920 ( 11.211 20.083 -1.920) 23.081 16.866 ( -4.979 -25.981 -13.620) 29.754 ======================= Grid point 149 (65/312) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -3.938 34.854 5.643) 35.526 2.009 ( -35.129 6.238 4.218) 35.927 2.872 ( -5.898 44.678 29.608) 53.922 3.417 ( -9.579 -16.161 -9.674) 21.131 4.404 ( -1.683 6.181 4.821) 8.017 4.463 ( -5.968 -2.961 3.991) 7.766 4.708 ( 6.996 15.307 8.275) 18.755 5.067 ( -3.916 8.217 -8.771) 12.640 5.652 ( 3.081 -16.784 -4.995) 17.780 5.985 ( -7.682 -10.023 -13.945) 18.813 6.223 ( -7.085 0.795 0.615) 7.156 6.367 ( -11.865 10.683 8.300) 17.994 6.553 ( -11.171 -3.702 8.175) 14.330 7.132 ( -9.027 1.329 4.849) 10.333 7.169 ( -1.611 1.422 8.755) 9.014 7.796 ( 3.656 18.188 -1.713) 18.631 7.852 ( 0.167 17.444 -1.081) 17.478 8.380 ( 12.546 14.880 17.010) 25.849 9.231 ( -2.158 -15.629 1.578) 15.856 9.619 ( -4.991 3.139 -2.178) 6.285 9.773 ( 6.626 -5.414 -9.969) 13.138 9.963 ( 3.635 -7.434 -2.364) 8.606 10.096 ( -2.803 -3.352 0.291) 4.379 10.213 ( 6.353 -4.288 -2.673) 8.117 10.381 ( 6.608 -5.510 7.064) 11.132 10.946 ( -0.565 4.110 -3.427) 5.381 10.994 ( -6.891 -1.370 -9.853) 12.101 11.567 ( -8.928 -4.702 2.360) 10.363 11.897 ( 25.891 5.026 3.981) 26.673 12.019 ( 5.474 -7.782 0.308) 9.519 12.172 ( -3.408 0.705 -6.013) 6.947 12.485 ( 8.897 -1.957 -5.675) 10.733 13.552 ( 0.235 2.934 1.870) 3.487 13.657 ( 9.032 -2.443 6.831) 11.585 14.132 ( 9.573 19.593 2.540) 21.954 16.708 ( -11.628 -25.736 -13.578) 31.335 ======================= Grid point 150 (66/312) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -36.371 10.755 6.133) 38.421 1.610 ( -3.087 35.635 6.570) 36.367 2.804 ( -1.594 50.863 31.628) 59.916 3.262 ( -5.647 -17.855 -10.007) 21.233 4.311 ( -5.101 4.364 3.492) 7.567 4.388 ( -2.327 4.225 6.914) 8.430 4.910 ( 13.584 15.970 7.865) 22.393 5.080 ( 3.862 11.504 -2.041) 12.305 5.659 ( -4.102 -13.741 -4.970) 15.177 5.807 ( -12.509 -4.708 -10.859) 17.221 5.965 ( -9.764 3.277 1.230) 10.373 6.134 ( -10.875 -5.394 0.264) 12.142 6.495 ( 2.031 2.216 6.792) 7.427 6.983 ( -5.284 3.116 3.299) 6.965 7.169 ( 0.262 -4.279 12.081) 12.819 7.836 ( 1.015 14.740 5.380) 15.724 7.884 ( 1.858 22.536 -9.205) 24.414 8.623 ( 10.758 15.072 21.933) 28.705 9.180 ( -2.662 -16.133 -2.802) 16.590 9.536 ( -3.057 -2.300 -0.428) 3.849 9.835 ( -2.141 -3.152 -7.180) 8.128 9.970 ( -0.985 -10.133 -1.355) 10.270 10.095 ( 5.297 -6.378 -2.334) 8.613 10.268 ( 0.797 -2.620 -0.704) 2.827 10.621 ( 13.141 -2.705 2.829) 13.711 10.689 ( -13.162 -12.831 -6.287) 19.427 11.085 ( 4.625 13.582 -6.239) 15.646 11.378 ( -9.496 -5.593 -2.598) 11.323 12.036 ( 0.948 -1.863 -0.316) 2.114 12.124 ( -0.921 -9.852 -2.864) 10.301 12.435 ( 19.277 -3.072 -0.690) 19.532 12.684 ( 9.023 -1.580 -4.386) 10.156 13.661 ( 11.881 3.567 0.088) 12.405 13.806 ( 6.652 0.832 3.692) 7.653 14.284 ( 5.372 19.255 6.067) 20.891 16.386 ( -19.857 -19.544 -10.618) 29.816 ======================= Grid point 151 (67/312) ======================= q-point: ( 0.00 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -1.241 22.803 5.685) 23.534 2.264 ( -0.581 36.183 1.168) 36.206 2.839 ( 0.161 -19.439 -7.220) 20.738 3.757 ( -0.320 47.854 19.410) 51.642 4.268 ( 0.289 -5.851 4.716) 7.521 4.506 ( 0.382 8.833 7.458) 11.566 5.365 ( 0.733 5.822 -0.692) 5.909 5.395 ( -0.534 -5.772 -13.170) 14.389 5.419 ( 0.337 -2.383 0.364) 2.434 5.597 ( -0.406 15.432 0.332) 15.441 5.849 ( -0.252 -0.256 -0.615) 0.712 5.903 ( -0.136 -0.316 5.373) 5.384 6.560 ( 0.120 -0.863 9.611) 9.650 6.840 ( -0.220 -8.612 9.853) 13.088 7.258 ( -0.890 11.378 2.343) 11.651 8.165 ( 0.630 17.962 4.868) 18.621 8.342 ( -0.290 23.087 -6.941) 24.109 8.734 ( 0.029 -24.725 -4.799) 25.186 8.999 ( 0.022 11.556 20.689) 23.697 9.386 ( -0.518 -7.387 1.283) 7.515 9.695 ( -0.177 -15.989 0.564) 16.000 9.804 ( -0.049 2.047 -4.853) 5.268 10.127 ( -1.496 -2.145 -3.092) 4.049 10.230 ( 1.866 -1.550 0.022) 2.426 10.252 ( 0.208 -14.537 -4.294) 15.159 10.828 ( -0.262 4.629 -0.955) 4.734 11.042 ( 1.068 -12.679 -5.794) 13.981 11.410 ( 0.100 13.509 -6.615) 15.042 11.709 ( -0.211 -19.366 0.824) 19.385 12.184 ( 0.148 2.397 -5.767) 6.247 12.494 ( 0.301 -5.916 0.449) 5.940 12.684 ( -0.641 -4.103 -0.389) 4.170 13.786 ( 0.560 -0.994 -1.114) 1.595 13.885 ( -0.006 -4.035 -1.606) 4.343 14.706 ( -0.160 19.415 1.991) 19.518 15.928 ( 0.072 -11.059 -5.003) 12.138 ======================= Grid point 152 (68/312) ======================= q-point: ( 0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 26.077 17.484 2.700) 31.512 2.277 ( 1.793 36.718 0.041) 36.762 2.917 ( 7.316 -18.079 -7.665) 20.955 3.737 ( -1.494 46.898 19.680) 50.882 4.307 ( 3.184 -6.757 6.281) 9.760 4.526 ( 1.546 8.348 6.430) 10.650 5.200 ( -11.349 9.572 4.453) 15.500 5.238 ( -6.499 2.769 -11.617) 13.596 5.482 ( -1.235 -1.130 0.666) 1.801 5.627 ( 5.448 -8.784 -11.830) 15.710 6.007 ( 8.602 -5.092 4.932) 11.146 6.161 ( 23.132 12.071 3.462) 26.321 6.500 ( -5.113 -3.055 9.811) 11.478 6.896 ( 5.442 -7.140 9.114) 12.794 7.249 ( 0.228 12.098 1.913) 12.250 8.174 ( 0.300 17.762 5.289) 18.535 8.310 ( -3.006 22.938 -6.887) 24.137 8.691 ( -4.566 -15.716 -1.996) 16.488 8.972 ( -2.243 2.043 16.822) 17.094 9.446 ( 6.276 -3.593 -0.089) 7.232 9.722 ( 2.651 -13.793 -0.357) 14.050 9.827 ( -0.088 0.110 -6.710) 6.711 9.982 ( -4.649 -4.883 -1.304) 6.867 10.207 ( -1.649 -4.059 -1.238) 4.552 10.476 ( 13.377 -11.063 -1.895) 17.462 10.606 ( -14.858 -0.688 0.449) 14.881 11.234 ( 10.121 -4.571 -4.383) 11.939 11.388 ( -1.180 10.818 -4.731) 11.867 11.707 ( 0.016 -17.616 0.016) 17.616 12.160 ( -3.807 -1.470 -9.016) 9.896 12.390 ( -7.591 0.394 4.990) 9.093 12.650 ( -4.729 -1.370 -3.040) 5.786 13.681 ( -8.637 -2.090 -2.128) 9.137 13.808 ( -7.107 -1.326 4.044) 8.284 14.652 ( -5.101 19.898 0.798) 20.556 16.045 ( 9.637 -17.290 -6.853) 20.947 ======================= Grid point 153 (69/312) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 31.671 9.774 -0.485) 33.148 2.327 ( 3.048 37.058 -1.892) 37.231 3.112 ( 11.786 -15.525 -8.130) 21.120 3.710 ( -1.010 43.294 20.301) 47.828 4.377 ( 3.698 -7.407 6.880) 10.764 4.548 ( -0.385 6.498 5.411) 8.465 5.032 ( -5.921 14.918 5.894) 17.098 5.165 ( -0.697 -3.047 -14.546) 14.878 5.432 ( -1.704 -2.771 -0.434) 3.282 5.745 ( 4.706 -11.445 -13.000) 17.948 6.180 ( 6.258 -4.945 4.638) 9.226 6.415 ( 1.009 -9.442 10.001) 13.791 6.622 ( 19.947 12.328 6.521) 24.339 7.035 ( 7.656 -4.871 5.897) 10.822 7.295 ( 5.644 13.552 1.163) 14.726 8.173 ( -1.156 17.353 4.522) 17.969 8.225 ( -4.683 22.088 -5.645) 23.274 8.551 ( -9.005 -0.069 3.576) 9.689 8.941 ( -0.403 -11.750 8.466) 14.488 9.615 ( 9.511 1.170 -1.720) 9.736 9.728 ( -6.365 -3.723 -6.238) 9.658 9.784 ( 2.991 -8.507 -1.227) 9.101 10.035 ( 6.350 -1.089 0.921) 6.508 10.138 ( -7.030 -5.748 -3.778) 9.835 10.318 ( -11.052 -3.359 5.856) 12.951 10.758 ( 14.392 -12.292 -0.542) 18.935 11.247 ( -5.693 12.125 -7.015) 15.121 11.490 ( 7.621 -5.742 1.194) 9.616 11.707 ( -0.097 -13.004 -1.125) 13.053 11.957 ( -15.455 -3.358 -1.163) 15.859 12.298 ( -4.122 8.227 -5.563) 10.753 12.505 ( -5.764 3.606 -1.888) 7.056 13.542 ( -5.989 -4.586 2.593) 7.976 13.620 ( -10.028 -2.463 6.014) 11.950 14.514 ( -8.548 21.083 -1.807) 22.821 16.231 ( 7.928 -25.284 -8.998) 27.984 ======================= Grid point 154 (70/312) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 3.094 36.666 -3.724) 36.985 2.689 ( 27.517 4.889 -1.777) 28.004 3.364 ( 13.070 -13.203 -7.815) 20.155 3.701 ( -0.273 37.350 20.396) 42.557 4.438 ( -0.414 -3.088 2.733) 4.144 4.514 ( 0.132 1.156 5.615) 5.734 4.943 ( -3.406 16.728 5.527) 17.943 5.154 ( -1.991 -16.895 -6.525) 18.220 5.458 ( 4.170 5.823 -6.058) 9.381 5.794 ( 0.338 -16.619 -12.204) 20.621 6.215 ( 0.988 -4.386 2.957) 5.382 6.583 ( 12.255 -8.770 6.005) 16.222 6.896 ( 6.719 8.762 13.157) 17.177 7.203 ( 9.605 -2.882 -1.517) 10.142 7.488 ( 12.065 13.615 0.004) 18.191 8.067 ( -7.300 17.727 -2.870) 19.385 8.191 ( -0.930 16.021 3.202) 16.365 8.389 ( -4.679 8.965 4.375) 11.018 8.963 ( 2.422 -14.324 4.972) 15.354 9.563 ( -8.996 -6.260 -1.391) 11.048 9.767 ( -2.601 4.145 -1.622) 5.155 9.838 ( -1.049 -3.911 3.895) 5.619 9.934 ( -1.172 1.406 -1.641) 2.458 10.160 ( 5.503 1.830 -0.995) 5.884 10.258 ( 3.293 -7.230 1.912) 8.172 11.003 ( 4.709 -3.846 -2.228) 6.476 11.143 ( 0.870 4.106 -7.567) 8.653 11.484 ( -12.358 -4.910 0.343) 13.303 11.684 ( -8.076 -1.372 5.087) 9.643 11.724 ( 2.405 -3.004 3.009) 4.885 12.146 ( -7.095 -2.381 -10.719) 13.073 12.547 ( 7.527 8.147 -2.672) 11.409 13.294 ( -16.251 -8.543 11.890) 21.874 13.549 ( -0.188 -4.682 0.981) 4.787 14.327 ( -9.777 22.775 -4.532) 25.196 16.347 ( 3.888 -29.353 -10.004) 31.253 ======================= Grid point 155 (71/312) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 2.195 35.645 -4.737) 36.025 3.162 ( 19.578 2.460 -1.248) 19.771 3.601 ( 9.016 -9.614 -5.728) 14.371 3.684 ( -1.214 29.374 18.282) 34.620 4.335 ( -6.659 4.570 0.306) 8.082 4.596 ( 5.256 -5.708 3.164) 8.380 4.886 ( -2.505 15.063 6.103) 16.444 5.089 ( -3.587 -20.679 1.092) 21.016 5.544 ( 3.569 3.941 -9.118) 10.555 5.772 ( -1.892 -19.922 -9.728) 22.251 6.287 ( 5.397 -0.988 -1.987) 5.836 6.793 ( 7.800 -3.138 -2.291) 8.714 6.953 ( 0.290 6.298 12.175) 13.711 7.363 ( 5.516 -3.490 0.892) 6.588 7.682 ( 5.664 15.422 -0.101) 16.429 7.944 ( -4.030 11.915 -1.615) 12.681 8.152 ( -1.677 8.264 5.622) 10.135 8.454 ( 10.771 13.207 2.286) 17.195 9.007 ( -0.015 -9.574 1.898) 9.761 9.314 ( -14.569 -2.731 6.274) 16.096 9.608 ( -6.870 -12.345 9.621) 17.092 9.758 ( -3.457 7.403 -2.499) 8.543 10.093 ( 8.075 11.740 -0.765) 14.269 10.270 ( 5.523 -2.951 -4.235) 7.560 10.373 ( 6.867 3.749 -0.938) 7.880 10.904 ( -7.384 11.635 -5.173) 14.719 11.175 ( -13.362 2.345 3.536) 14.019 11.309 ( 6.536 -5.497 -5.978) 10.425 11.546 ( -6.116 -12.143 -4.998) 14.486 11.761 ( 0.858 -2.543 2.600) 3.737 12.114 ( 3.307 -6.644 2.034) 7.696 12.718 ( 8.153 7.705 -3.537) 11.762 12.970 ( -14.939 -12.771 12.436) 23.258 13.549 ( -0.208 -6.019 0.770) 6.072 14.149 ( -7.242 24.761 -6.219) 26.537 16.395 ( 1.256 -30.997 -10.522) 32.758 ======================= Grid point 156 (72/312) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 0.614 34.944 -4.697) 35.264 3.416 ( 1.297 -6.876 -5.340) 8.802 3.598 ( -0.243 33.162 21.747) 39.658 3.740 ( 0.107 -7.647 -4.460) 8.853 4.248 ( -0.374 5.748 0.046) 5.760 4.660 ( -0.394 -4.834 -0.369) 4.864 4.852 ( -0.074 11.641 8.453) 14.387 5.048 ( 0.080 -19.454 3.292) 19.731 5.582 ( -0.107 2.117 -10.067) 10.288 5.750 ( 0.493 -21.095 -7.729) 22.471 6.354 ( -0.342 1.167 -4.865) 5.015 6.887 ( -0.363 -0.827 -15.089) 15.116 6.930 ( 0.296 6.874 17.637) 18.931 7.423 ( 0.417 -3.350 4.557) 5.671 7.731 ( 1.404 16.918 2.425) 17.148 7.910 ( -0.398 8.832 -1.852) 9.033 8.137 ( -0.333 4.512 6.417) 7.852 8.702 ( 1.580 16.034 0.929) 16.138 8.866 ( -1.527 -5.792 -0.854) 6.050 9.172 ( -0.629 -7.254 11.475) 13.590 9.540 ( 0.041 -16.361 11.269) 19.866 9.713 ( -0.594 12.445 -4.266) 13.169 10.183 ( 0.319 15.505 1.561) 15.586 10.339 ( 0.409 -5.573 -2.292) 6.040 10.472 ( 0.769 5.758 -8.706) 10.466 10.802 ( -0.910 22.940 1.352) 22.998 11.029 ( 0.527 -0.466 3.420) 3.491 11.336 ( -1.543 -10.641 -11.793) 15.959 11.504 ( 0.473 -13.741 -7.157) 15.500 11.768 ( -0.029 -2.721 1.279) 3.006 12.176 ( -0.344 -5.836 9.772) 11.387 12.791 ( 0.561 -16.918 11.509) 20.469 12.817 ( 0.027 8.190 -2.638) 8.604 13.543 ( -0.138 -6.492 -0.339) 6.502 14.071 ( -0.049 25.754 -6.507) 26.563 16.404 ( -0.177 -31.348 -10.809) 33.160 ======================= Grid point 157 (73/312) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -1.160 35.035 -3.738) 35.253 3.192 ( -18.798 0.418 -0.707) 18.816 3.600 ( -9.185 -9.813 -5.779) 14.630 3.697 ( 2.188 30.940 19.462) 36.617 4.322 ( 6.128 4.215 -0.230) 7.441 4.586 ( -5.478 -5.961 3.006) 8.636 4.881 ( 2.198 15.157 5.904) 16.415 5.091 ( 3.614 -20.114 1.311) 20.478 5.539 ( -3.840 4.772 -9.722) 11.490 5.789 ( 2.596 -19.901 -9.196) 22.076 6.275 ( -5.815 -0.933 -2.164) 6.274 6.792 ( -7.686 -3.054 -2.867) 8.754 6.955 ( -0.304 6.409 12.670) 14.202 7.375 ( -5.349 -3.834 1.289) 6.706 7.737 ( -3.492 14.534 2.462) 15.149 7.931 ( 3.838 13.316 -2.397) 14.064 8.141 ( 1.299 8.190 4.804) 9.584 8.455 ( -11.717 12.203 2.384) 17.084 9.014 ( 0.520 -8.249 2.227) 8.560 9.288 ( 14.548 -2.889 5.518) 15.825 9.601 ( 5.710 -12.986 9.337) 16.983 9.742 ( 3.326 7.508 -2.996) 8.741 10.107 ( -7.198 10.607 -0.053) 12.819 10.289 ( -4.511 -5.255 -2.621) 7.405 10.380 ( -7.830 6.852 -1.817) 10.562 10.889 ( 7.610 12.963 -6.424) 16.346 11.183 ( 12.828 2.400 3.140) 13.423 11.275 ( -6.334 -5.969 -6.986) 11.160 11.547 ( 5.282 -12.098 -3.075) 13.554 11.758 ( -1.219 -2.842 2.499) 3.976 12.109 ( -3.052 -6.496 0.869) 7.230 12.727 ( -7.983 8.076 -3.316) 11.829 12.975 ( 14.859 -12.866 12.691) 23.396 13.546 ( 0.115 -6.106 0.540) 6.131 14.148 ( 7.266 24.683 -6.251) 26.479 16.388 ( -1.501 -30.725 -10.807) 32.605 ======================= Grid point 158 (74/312) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -2.678 35.629 -2.123) 35.792 2.729 ( -27.160 3.169 -0.468) 27.349 3.360 ( -13.172 -13.600 -7.832) 20.489 3.727 ( 0.443 38.131 21.664) 43.858 4.415 ( 0.463 -3.451 1.912) 3.972 4.503 ( -0.538 0.879 5.345) 5.443 4.935 ( 3.368 16.918 5.187) 18.013 5.155 ( 1.919 -16.348 -5.795) 17.451 5.445 ( -4.530 7.125 -7.242) 11.123 5.820 ( -0.015 -16.693 -11.612) 20.335 6.202 ( -0.698 -4.308 2.539) 5.049 6.581 ( -12.377 -8.207 5.994) 16.015 6.899 ( -6.728 8.727 13.306) 17.276 7.211 ( -9.975 -3.244 -0.984) 10.535 7.566 ( -11.668 12.960 3.014) 17.697 8.049 ( 6.350 17.432 -1.525) 18.615 8.181 ( 1.891 16.934 -0.216) 17.041 8.382 ( 4.692 8.197 4.821) 10.604 8.974 ( -2.324 -12.749 6.106) 14.326 9.545 ( 8.815 -6.084 -3.316) 11.212 9.759 ( 5.546 2.890 -0.375) 6.265 9.832 ( 5.373 -7.269 4.787) 10.229 9.943 ( -4.802 3.525 -2.457) 6.443 10.184 ( -6.330 2.874 -1.154) 7.048 10.248 ( -3.385 -6.832 1.767) 7.826 10.991 ( -5.788 -5.014 -2.534) 8.066 11.115 ( 0.462 5.918 -9.230) 10.974 11.469 ( 10.514 -5.852 -0.110) 12.034 11.686 ( 7.599 4.191 8.575) 12.200 11.723 ( -0.286 -7.663 -0.140) 7.670 12.145 ( 7.161 -2.308 -10.530) 12.942 12.557 ( -7.606 8.423 -2.495) 11.620 13.294 ( 15.793 -8.291 11.652) 21.305 13.544 ( 0.116 -4.739 0.621) 4.781 14.327 ( 10.002 22.602 -4.398) 25.104 16.337 ( -3.881 -28.941 -10.395) 30.996 ======================= Grid point 159 (75/312) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -31.655 7.941 1.066) 32.653 2.365 ( -3.489 36.099 -0.199) 36.268 3.106 ( -11.791 -16.146 -8.191) 21.606 3.734 ( 0.486 43.727 21.341) 48.660 4.361 ( -3.479 -7.797 6.260) 10.587 4.527 ( 0.235 6.662 4.606) 8.103 5.026 ( 6.076 15.582 5.560) 17.624 5.165 ( 0.670 -2.794 -13.602) 13.902 5.414 ( 1.463 -1.922 -1.489) 2.838 5.778 ( -4.219 -11.920 -12.693) 17.916 6.172 ( -6.394 -4.930 3.961) 8.993 6.411 ( -0.784 -8.507 10.780) 13.755 6.626 ( -20.018 12.246 6.476) 24.344 7.039 ( -7.548 -4.695 6.224) 10.851 7.366 ( -7.004 12.771 3.868) 15.071 8.127 ( 1.659 17.886 2.888) 18.193 8.248 ( 4.587 21.833 -5.744) 23.037 8.543 ( 9.019 -0.868 3.810) 9.829 8.951 ( 0.209 -9.825 9.843) 13.908 9.634 ( -6.784 -2.010 -1.661) 7.268 9.721 ( 3.751 -2.582 -6.399) 7.854 9.792 ( -2.785 -8.675 -0.890) 9.155 10.041 ( -5.907 -1.248 0.564) 6.063 10.131 ( 7.458 -4.417 -3.866) 9.491 10.299 ( 10.661 -3.625 5.294) 12.442 10.737 ( -14.461 -12.273 -1.250) 19.008 11.228 ( 5.503 12.136 -7.730) 15.406 11.469 ( -6.740 -5.269 0.535) 8.572 11.714 ( 0.395 -13.155 -1.076) 13.205 11.953 ( 14.280 -3.513 -1.641) 14.797 12.309 ( 4.992 8.428 -4.723) 10.874 12.508 ( 5.655 4.114 -1.673) 7.191 13.526 ( 5.441 -4.239 1.969) 7.173 13.621 ( 10.094 -2.285 5.560) 11.748 14.518 ( 8.694 20.847 -1.501) 22.636 16.223 ( -7.694 -24.954 -9.274) 27.711 ======================= Grid point 160 (76/312) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -27.056 15.834 4.052) 31.610 2.299 ( -2.799 36.111 1.058) 36.235 2.912 ( -7.152 -18.601 -7.699) 21.364 3.749 ( 0.813 47.083 20.191) 51.236 4.297 ( -2.822 -6.766 5.757) 9.321 4.511 ( -0.928 8.439 5.905) 10.341 5.199 ( 11.567 11.122 4.615) 16.697 5.235 ( 6.387 2.092 -11.046) 12.930 5.458 ( 1.296 -1.348 -0.545) 1.948 5.664 ( -5.960 -8.502 -11.817) 15.730 5.994 ( -8.797 -5.883 4.975) 11.694 6.174 ( -22.916 12.751 3.955) 26.521 6.495 ( 5.383 -2.738 9.832) 11.538 6.903 ( -5.592 -7.073 9.566) 13.146 7.285 ( -2.057 11.816 3.235) 12.422 8.149 ( 0.887 18.065 4.205) 18.569 8.322 ( 2.422 22.739 -6.720) 23.834 8.687 ( 4.900 -15.844 -1.885) 16.691 8.975 ( 1.717 2.880 17.559) 17.876 9.464 ( -7.048 -4.406 0.231) 8.315 9.728 ( -2.875 -14.876 0.507) 15.159 9.824 ( 0.832 0.773 -7.687) 7.770 9.989 ( 4.725 -4.578 -1.007) 6.656 10.201 ( 1.512 -3.958 -1.476) 4.487 10.458 ( -13.273 -11.030 -2.358) 17.418 10.597 ( 15.929 -0.813 -0.006) 15.949 11.209 ( -9.272 -3.976 -4.923) 11.226 11.387 ( 1.136 10.530 -5.039) 11.728 11.714 ( -0.239 -17.852 0.204) 17.854 12.151 ( 4.499 -2.157 -9.527) 10.755 12.394 ( 6.461 1.264 5.413) 8.523 12.662 ( 4.960 -1.253 -2.717) 5.792 13.663 ( 9.039 -1.705 -2.505) 9.533 13.808 ( 7.122 -0.992 3.479) 7.988 14.657 ( 4.961 19.737 1.036) 20.377 16.042 ( -9.379 -17.200 -6.930) 20.781 ======================= Grid point 161 (77/312) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -0.318 22.424 1.840) 22.502 2.451 ( 0.229 -20.188 -4.238) 20.629 2.940 ( -0.182 33.435 -0.044) 33.436 4.013 ( 0.282 -20.207 3.867) 20.575 4.548 ( -0.421 32.968 6.027) 33.517 4.691 ( 0.328 10.108 3.885) 10.834 5.247 ( 0.593 -7.946 3.668) 8.771 5.322 ( -0.916 -2.093 -12.995) 13.194 5.509 ( -0.377 3.549 -1.992) 4.087 5.647 ( -0.363 -5.740 0.574) 5.780 5.956 ( 2.757 10.373 4.237) 11.539 6.122 ( -2.298 17.387 8.911) 19.672 6.474 ( 0.166 -8.223 12.301) 14.797 6.668 ( -0.545 -9.533 10.407) 14.124 7.513 ( -0.693 15.015 -0.682) 15.046 8.254 ( -0.054 -24.535 -3.382) 24.767 8.523 ( 0.449 19.268 4.334) 19.754 8.738 ( -0.253 16.795 1.283) 16.846 9.202 ( -1.453 9.992 6.330) 11.917 9.237 ( 1.207 -7.592 2.592) 8.112 9.376 ( 0.067 -15.438 2.018) 15.570 9.828 ( 0.120 -4.468 -7.413) 8.656 9.964 ( -1.059 -10.332 -0.835) 10.420 10.068 ( 1.230 -4.491 -2.371) 5.226 10.299 ( -0.118 8.392 0.284) 8.397 10.782 ( 0.212 -14.231 -4.042) 14.796 10.948 ( 0.644 7.877 -1.511) 8.046 11.378 ( -0.118 -15.258 1.585) 15.341 11.662 ( 0.182 12.989 -7.633) 15.067 12.110 ( 0.389 -9.054 -12.076) 15.098 12.467 ( -0.270 2.247 6.048) 6.457 12.605 ( -0.412 -4.138 1.119) 4.307 13.773 ( 0.729 -0.243 -0.995) 1.257 13.819 ( -0.612 -2.785 -1.196) 3.092 15.066 ( -0.082 18.333 -1.314) 18.380 15.689 ( 0.057 -14.022 -4.476) 14.719 ======================= Grid point 162 (78/312) ======================= q-point: ( 0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 19.038 19.057 0.337) 26.939 2.563 ( 10.332 -18.332 -4.792) 21.582 2.959 ( 1.951 33.812 -1.001) 33.883 4.049 ( 2.937 -20.013 4.601) 20.744 4.529 ( -1.661 33.853 6.876) 34.584 4.695 ( -0.136 9.243 3.992) 10.069 5.116 ( -9.085 -6.238 -0.324) 11.026 5.339 ( 0.165 -1.228 -10.483) 10.556 5.504 ( -2.084 -2.488 -5.174) 6.108 5.621 ( -1.543 9.957 3.302) 10.603 5.903 ( 3.226 -3.446 8.028) 9.312 6.335 ( -4.788 -6.120 9.555) 12.316 6.447 ( 16.259 7.689 7.232) 19.385 6.776 ( 8.678 -5.233 9.271) 13.735 7.517 ( 1.395 15.855 -0.968) 15.945 8.274 ( 1.989 -23.125 -3.265) 23.439 8.526 ( -0.288 18.591 4.541) 19.140 8.711 ( -2.852 17.021 0.080) 17.259 9.046 ( -8.437 2.737 7.362) 11.527 9.401 ( 8.916 -4.980 0.034) 10.213 9.435 ( 6.220 -10.169 2.695) 12.221 9.773 ( -5.763 -9.172 -7.393) 13.115 9.946 ( 3.411 2.502 -2.131) 4.736 10.135 ( -2.046 -3.989 -3.301) 5.567 10.315 ( 6.645 -4.237 1.163) 7.966 10.577 ( -14.401 -2.673 3.729) 15.114 11.148 ( 12.434 -2.620 -5.174) 13.720 11.429 ( 4.728 -10.931 2.043) 12.083 11.612 ( -5.039 11.312 -6.645) 14.054 12.042 ( -7.188 -8.742 -8.986) 14.451 12.455 ( -0.021 4.527 3.462) 5.699 12.616 ( 0.063 -2.259 -1.429) 2.674 13.637 ( -10.156 -2.055 -2.783) 10.729 13.774 ( -6.807 -1.718 4.010) 8.085 15.025 ( -3.912 19.245 -2.200) 19.762 15.719 ( 2.502 -17.304 -5.362) 18.288 ======================= Grid point 163 (79/312) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 25.188 12.285 -2.144) 28.106 2.822 ( 14.342 -14.582 -6.313) 21.405 3.014 ( 3.819 34.329 -2.416) 34.626 4.115 ( 3.381 -17.927 4.792) 18.862 4.481 ( -3.054 33.368 9.889) 34.937 4.672 ( -2.622 7.032 4.094) 8.549 4.957 ( -6.281 -9.706 -2.307) 11.789 5.316 ( -3.457 7.449 -7.141) 10.883 5.453 ( -0.808 -6.412 -5.564) 8.528 5.615 ( 0.838 6.921 -0.644) 7.001 6.070 ( 9.407 -5.811 7.717) 13.484 6.187 ( -3.404 -14.354 10.575) 18.151 6.812 ( 15.926 7.056 4.572) 18.009 6.963 ( 9.335 -2.592 6.494) 11.663 7.588 ( 6.396 17.150 -1.671) 18.380 8.323 ( 2.389 -18.445 -3.638) 18.952 8.500 ( -2.870 15.588 4.320) 16.429 8.621 ( -5.795 17.152 -0.917) 18.128 8.894 ( -6.010 4.210 8.117) 10.942 9.497 ( -0.891 -14.226 1.000) 14.288 9.639 ( 12.069 -0.489 -2.017) 12.246 9.713 ( 3.164 -3.603 -6.023) 7.699 9.995 ( -4.644 -5.216 -3.109) 7.645 10.102 ( 6.636 4.136 -1.986) 8.067 10.260 ( -16.249 -2.509 7.603) 18.114 10.538 ( 13.755 -9.989 2.234) 17.146 11.368 ( 8.211 -3.490 -4.167) 9.847 11.465 ( -8.549 7.319 -4.928) 12.286 11.543 ( 5.291 -3.938 2.498) 7.053 11.849 ( -10.852 -7.002 -3.557) 13.396 12.430 ( -6.277 5.224 -5.614) 9.910 12.596 ( 0.719 4.870 -1.870) 5.266 13.451 ( -8.314 -4.268 2.027) 9.562 13.554 ( -13.473 -3.801 6.455) 15.415 14.919 ( -6.550 21.548 -3.994) 22.873 15.768 ( 2.006 -23.515 -6.889) 24.585 ======================= Grid point 164 (80/312) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 22.197 5.810 -4.106) 23.309 3.015 ( 3.964 15.583 -6.023) 17.171 3.188 ( 14.089 7.913 -5.095) 16.943 4.180 ( 3.125 -10.480 3.522) 11.489 4.417 ( -3.098 23.233 12.331) 26.484 4.588 ( -5.376 4.295 3.298) 7.630 4.858 ( -4.433 -10.365 -1.474) 11.369 5.221 ( -4.928 8.886 -2.744) 10.525 5.438 ( -1.581 -14.671 -4.133) 15.324 5.639 ( -0.182 7.326 -2.011) 7.599 6.117 ( 5.251 -5.255 2.679) 7.897 6.399 ( 15.403 -9.667 4.479) 18.728 7.021 ( 4.974 4.617 9.032) 11.298 7.142 ( 8.562 -3.153 1.093) 9.189 7.769 ( 10.615 15.732 -3.595) 19.316 8.314 ( -4.764 -1.027 -4.553) 6.669 8.399 ( -7.073 6.797 3.861) 10.542 8.538 ( -0.258 8.977 -0.152) 8.982 8.847 ( 1.416 5.564 8.687) 10.413 9.412 ( -5.211 -8.683 2.688) 10.477 9.722 ( -13.582 -4.049 4.065) 14.744 9.837 ( 3.508 -0.778 -6.173) 7.143 9.948 ( 8.470 -0.841 -1.469) 8.638 10.061 ( 2.726 -7.550 3.166) 8.629 10.312 ( 12.476 8.280 -3.043) 15.280 10.833 ( 14.962 -8.955 1.560) 17.507 11.260 ( -10.448 1.795 -2.812) 10.968 11.387 ( -9.231 -0.530 -3.620) 9.930 11.612 ( 0.900 -2.173 0.223) 2.362 11.737 ( 1.906 -2.099 2.816) 3.996 12.180 ( -15.604 5.507 -8.300) 18.513 12.682 ( 5.954 4.698 -1.835) 7.803 13.160 ( -18.781 -4.044 10.256) 21.778 13.423 ( -1.508 -7.888 2.221) 8.332 14.777 ( -7.287 24.610 -5.847) 26.323 15.792 ( 0.519 -28.655 -8.023) 29.762 ======================= Grid point 165 (81/312) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 1.764 23.394 -6.137) 24.249 3.157 ( 13.676 0.173 -4.859) 14.514 3.455 ( 11.142 1.547 -6.835) 13.163 4.222 ( 0.661 11.090 6.958) 13.109 4.364 ( -2.988 2.056 3.819) 5.267 4.508 ( -0.350 -1.524 7.299) 7.464 4.751 ( -6.584 -7.706 1.557) 10.254 5.144 ( -2.556 5.598 -2.577) 6.672 5.401 ( -1.605 -13.350 1.465) 13.525 5.602 ( -2.249 -0.407 -2.150) 3.137 6.306 ( 10.619 3.609 -6.483) 12.955 6.678 ( 11.283 -8.366 -4.897) 14.875 7.064 ( 0.272 5.575 10.395) 11.799 7.274 ( 4.421 -5.397 1.542) 7.145 7.941 ( 5.281 12.261 -2.899) 13.661 8.153 ( -9.163 8.874 -1.085) 12.802 8.306 ( -1.088 5.676 6.223) 8.493 8.607 ( 6.547 -0.220 -2.708) 7.088 8.913 ( 3.999 1.433 7.751) 8.839 9.314 ( -8.806 4.837 3.329) 10.584 9.361 ( -14.039 -10.584 11.397) 20.953 9.831 ( -1.397 -5.714 -3.440) 6.814 10.167 ( 11.442 1.795 -2.866) 11.932 10.272 ( 13.403 3.577 -1.214) 13.925 10.554 ( 8.750 11.045 -4.497) 14.791 11.000 ( -0.589 -0.806 -2.828) 3.000 11.118 ( -13.705 -4.290 -3.682) 14.825 11.195 ( 7.251 -9.486 -0.701) 11.960 11.543 ( -10.910 10.582 -3.602) 15.619 11.762 ( -0.996 2.286 3.277) 4.117 11.993 ( 1.078 -5.435 0.688) 5.584 12.655 ( -14.202 -13.290 12.885) 23.332 12.933 ( 1.847 8.434 -2.577) 9.011 13.404 ( -1.056 -8.664 1.914) 8.935 14.648 ( -5.040 27.704 -7.009) 29.018 15.793 ( -0.217 -31.802 -8.769) 32.990 ======================= Grid point 166 (82/312) ======================= q-point: (-0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 0.230 24.480 -5.825) 25.165 3.304 ( 0.087 -4.329 -5.478) 6.983 3.578 ( 0.104 1.484 -7.561) 7.706 4.230 ( 0.508 24.812 14.231) 28.608 4.307 ( -0.487 -3.834 -4.290) 5.775 4.573 ( 0.228 -19.243 7.797) 20.763 4.631 ( 0.094 2.966 3.719) 4.758 5.120 ( 0.090 4.245 -2.629) 4.994 5.388 ( 0.443 -12.102 4.244) 12.832 5.577 ( -0.032 -3.302 -3.659) 4.929 6.429 ( -0.162 7.051 -9.605) 11.916 6.798 ( -0.106 -8.119 -13.342) 15.619 7.059 ( 0.022 6.750 11.888) 13.670 7.320 ( 0.218 -6.713 3.486) 7.567 7.992 ( -0.109 10.288 3.537) 10.879 8.044 ( 1.035 5.825 -2.365) 6.372 8.312 ( 0.248 11.908 7.554) 14.104 8.730 ( -0.310 -8.497 -2.262) 8.799 9.001 ( 6.656 6.955 -0.722) 9.654 9.029 ( -7.040 -4.282 8.974) 12.183 9.301 ( -0.377 -2.245 13.556) 13.746 9.814 ( -0.243 -6.072 -3.341) 6.935 10.322 ( 0.268 7.972 -3.375) 8.661 10.472 ( -0.622 13.469 0.554) 13.495 10.561 ( 0.705 2.756 -4.623) 5.428 10.924 ( -0.200 -9.836 -5.446) 11.245 11.165 ( -1.627 -6.924 -5.049) 8.722 11.184 ( 3.087 2.143 -4.974) 6.234 11.364 ( -1.535 12.910 -1.858) 13.133 11.751 ( -0.147 0.368 -0.184) 0.437 12.073 ( -0.360 -4.203 11.643) 12.384 12.430 ( 0.448 -20.292 11.911) 23.534 12.992 ( 0.359 9.886 -1.491) 10.004 13.385 ( -0.247 -9.685 0.056) 9.688 14.595 ( -0.055 29.169 -7.297) 30.068 15.789 ( -0.061 -32.817 -9.092) 34.053 ======================= Grid point 167 (83/312) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( -1.617 21.957 -5.688) 22.739 3.162 ( -13.310 -0.667 -4.636) 14.110 3.458 ( -10.969 2.442 -6.670) 13.068 4.221 ( -1.811 3.977 4.374) 6.183 4.368 ( 4.796 9.586 6.174) 12.370 4.513 ( -0.191 -0.102 8.102) 8.105 4.756 ( 6.795 -8.635 1.745) 11.125 5.146 ( 2.607 7.077 -1.846) 7.765 5.419 ( 2.434 -14.745 1.338) 15.005 5.600 ( 2.124 -0.258 -2.460) 3.260 6.298 ( -10.968 4.162 -6.578) 13.449 6.676 ( -11.148 -8.619 -5.239) 15.033 7.065 ( -0.201 5.568 10.670) 12.037 7.280 ( -4.308 -5.619 1.691) 7.279 7.969 ( -2.918 10.274 -1.094) 10.737 8.165 ( 8.614 10.137 -1.768) 13.420 8.308 ( 0.812 7.247 7.545) 10.493 8.589 ( -7.255 0.445 -4.127) 8.358 8.937 ( -3.744 -0.252 8.781) 9.549 9.295 ( 11.916 6.529 0.805) 13.611 9.337 ( 10.076 -11.936 12.304) 19.884 9.822 ( 0.996 -4.938 -3.877) 6.357 10.174 ( -11.167 1.125 -3.045) 11.630 10.268 ( -13.200 3.149 -0.158) 13.571 10.570 ( -8.278 10.073 -4.449) 13.776 10.989 ( -0.005 -1.474 -3.494) 3.792 11.112 ( 12.951 -4.122 -5.799) 14.777 11.205 ( -7.873 -7.624 0.854) 10.993 11.536 ( 12.546 11.008 -2.494) 16.876 11.751 ( 0.186 1.968 2.972) 3.569 11.990 ( -0.803 -5.378 0.058) 5.438 12.664 ( 14.442 -13.588 13.154) 23.795 12.942 ( -1.881 8.916 -2.290) 9.395 13.398 ( 0.955 -8.903 1.607) 9.097 14.646 ( 5.021 27.702 -7.076) 29.029 15.790 ( 0.147 -31.620 -8.862) 32.839 ======================= Grid point 168 (84/312) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -21.966 4.358 -3.971) 22.744 3.016 ( -5.101 10.906 -5.763) 13.348 3.200 ( -13.044 11.768 -4.256) 18.075 4.162 ( -3.462 -12.216 2.650) 12.971 4.454 ( 3.657 26.579 13.812) 30.176 4.574 ( 4.731 4.255 3.016) 7.042 4.866 ( 4.510 -10.744 -0.873) 11.685 5.224 ( 4.989 10.766 -1.464) 11.956 5.468 ( 2.004 -16.508 -4.191) 17.149 5.631 ( -0.352 8.107 -3.136) 8.700 6.107 ( -5.087 -4.924 2.651) 7.560 6.401 ( -15.216 -9.947 4.552) 18.740 7.026 ( -4.764 4.734 9.471) 11.611 7.148 ( -8.673 -3.148 1.135) 9.296 7.827 ( -10.187 14.273 -1.153) 17.573 8.301 ( 4.411 0.575 -3.729) 5.804 8.403 ( 5.571 6.493 3.837) 9.376 8.527 ( 2.073 11.144 -2.043) 11.518 8.874 ( -1.418 3.893 10.306) 11.107 9.390 ( 4.903 -9.005 1.619) 10.380 9.697 ( 15.190 -3.805 3.264) 15.996 9.821 ( -3.208 -0.705 -5.841) 6.701 9.953 ( -9.647 -1.529 -2.103) 9.992 10.063 ( -3.057 -8.006 3.591) 9.292 10.328 ( -12.675 7.398 -3.491) 15.086 10.823 ( -14.907 -7.651 1.836) 16.856 11.255 ( 10.009 1.668 -2.730) 10.508 11.362 ( 8.423 0.105 -4.834) 9.712 11.619 ( -1.422 -2.762 0.406) 3.133 11.732 ( -0.744 -1.920 2.132) 2.964 12.183 ( 16.174 5.888 -7.637) 18.831 12.695 ( -6.035 4.715 -1.432) 7.791 13.164 ( 18.517 -3.779 10.248) 21.498 13.416 ( 1.585 -8.000 1.899) 8.374 14.776 ( 7.420 24.538 -5.865) 26.297 15.788 ( -0.494 -28.382 -8.133) 29.529 ======================= Grid point 169 (85/312) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -25.141 10.736 -1.848) 27.399 2.809 ( -14.065 -14.267 -6.765) 21.146 3.034 ( -4.464 33.062 -1.110) 33.381 4.096 ( -3.199 -17.497 4.149) 18.264 4.514 ( 2.342 33.879 10.805) 35.637 4.654 ( 2.685 6.988 3.477) 8.254 4.964 ( 6.090 -9.581 -1.484) 11.449 5.323 ( 3.909 9.705 -5.240) 11.702 5.480 ( 0.121 -6.846 -6.189) 9.229 5.601 ( -0.745 5.820 -1.889) 6.165 6.061 ( -9.135 -5.881 7.322) 13.101 6.195 ( 3.053 -14.236 11.288) 18.423 6.822 ( -15.768 7.445 4.784) 18.082 6.970 ( -9.048 -2.403 6.888) 11.623 7.640 ( -7.307 15.970 0.497) 17.570 8.320 ( -1.889 -17.198 -3.332) 17.620 8.473 ( 2.671 16.953 3.420) 17.499 8.637 ( 5.935 16.890 -1.438) 17.960 8.917 ( 5.516 3.350 10.080) 11.969 9.476 ( 1.354 -13.970 0.087) 14.036 9.647 ( -12.014 -2.105 -2.217) 12.397 9.704 ( -2.948 -3.892 -6.094) 7.809 9.988 ( 4.703 -4.934 -3.029) 7.459 10.119 ( -6.817 3.616 -2.696) 8.174 10.237 ( 16.197 -2.790 7.221) 17.952 10.529 ( -13.732 -8.782 2.318) 16.464 11.346 ( -7.890 -2.745 -4.556) 9.515 11.453 ( 8.197 6.277 -4.911) 11.433 11.544 ( -4.651 -3.773 1.623) 6.204 11.845 ( 10.155 -6.935 -3.998) 12.930 12.446 ( 6.693 5.426 -4.808) 9.867 12.606 ( -0.800 5.015 -1.454) 5.283 13.440 ( 7.928 -4.134 1.668) 9.095 13.560 ( 13.713 -3.472 6.386) 15.521 14.920 ( 6.683 21.408 -3.894) 22.762 15.765 ( -1.930 -23.295 -6.956) 24.388 ======================= Grid point 170 (86/312) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -19.330 17.909 0.646) 26.359 2.555 ( -10.007 -18.483 -5.119) 21.633 2.967 ( -2.443 33.322 -0.265) 33.412 4.038 ( -2.457 -19.590 4.153) 20.176 4.545 ( 0.755 33.845 7.321) 34.636 4.683 ( 0.626 9.239 3.538) 9.913 5.116 ( 8.639 -6.136 0.117) 10.597 5.351 ( -0.166 0.281 -9.582) 9.588 5.523 ( 1.274 -4.974 -5.704) 7.675 5.613 ( 2.830 11.661 2.896) 12.344 5.883 ( -4.350 -3.565 8.035) 9.808 6.345 ( 6.399 -8.204 10.121) 14.515 6.455 ( -17.886 9.746 7.051) 21.554 6.787 ( -8.791 -4.880 9.832) 14.063 7.545 ( -2.745 15.325 0.225) 15.571 8.275 ( -1.931 -22.569 -2.953) 22.843 8.508 ( 1.082 19.145 3.871) 19.563 8.722 ( 2.351 16.822 -0.231) 16.987 9.058 ( 7.909 2.940 8.818) 12.205 9.393 ( -7.944 -8.116 0.404) 11.364 9.438 ( -7.112 -8.457 1.768) 11.191 9.769 ( 6.084 -9.207 -7.773) 13.498 9.954 ( -3.014 2.109 -1.898) 4.139 10.128 ( 0.871 -4.286 -3.554) 5.636 10.312 ( -5.876 -2.711 1.408) 6.622 10.561 ( 15.192 -3.258 2.866) 15.800 11.134 ( -12.016 -2.116 -5.498) 13.382 11.431 ( -4.536 -11.412 1.695) 12.396 11.606 ( 5.187 11.238 -6.578) 14.016 12.031 ( 7.338 -8.495 -9.254) 14.548 12.466 ( -0.509 4.687 3.796) 6.053 12.627 ( -0.230 -2.435 -1.138) 2.697 13.627 ( 10.384 -1.752 -2.861) 10.913 13.780 ( 6.756 -1.468 3.775) 7.877 15.028 ( 3.880 19.136 -2.069) 19.635 15.717 ( -2.410 -17.220 -5.390) 18.204 ======================= Grid point 171 (87/312) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 1.413 0.000 -1.845) 2.323 2.057 ( -1.139 -0.000 -1.119) 1.597 3.535 ( 3.102 0.000 1.584) 3.483 3.541 ( -2.968 -0.000 1.071) 3.155 4.843 ( 1.624 -0.000 -2.392) 2.892 4.850 ( -1.581 0.000 -2.103) 2.631 5.233 ( -1.257 0.000 -0.027) 1.258 5.235 ( 0.633 -0.000 0.323) 0.711 5.550 ( 5.487 -0.000 0.163) 5.489 5.555 ( -5.569 0.000 0.043) 5.569 6.202 ( -12.151 0.001 9.242) 15.267 6.202 ( 13.127 -0.001 7.903) 15.323 6.461 ( 9.468 -0.000 10.169) 13.894 6.465 ( -11.146 0.000 11.731) 16.182 7.830 ( -1.499 -0.000 -2.670) 3.062 7.840 ( 0.744 0.000 -1.812) 1.959 8.841 ( -0.423 -0.000 5.802) 5.817 8.853 ( 0.509 0.000 6.601) 6.620 9.126 ( -2.891 0.000 2.580) 3.875 9.132 ( 2.922 0.000 0.929) 3.066 9.523 ( 2.964 -0.000 -3.763) 4.790 9.531 ( -2.720 0.000 -3.552) 4.474 9.971 ( -1.585 0.000 -2.221) 2.729 9.985 ( 1.776 -0.000 -2.174) 2.807 10.504 ( -9.418 0.000 -1.298) 9.507 10.526 ( 9.768 -0.000 -0.914) 9.811 11.128 ( 7.536 0.000 -0.059) 7.536 11.129 ( -7.310 -0.000 -0.043) 7.310 11.900 ( 4.327 0.000 -9.488) 10.428 11.903 ( -3.821 -0.000 -9.786) 10.506 12.527 ( -1.935 -0.000 3.415) 3.925 12.532 ( 1.286 0.000 3.330) 3.570 13.778 ( 4.508 -0.000 -0.931) 4.603 13.785 ( -4.562 0.000 -1.052) 4.682 15.391 ( -0.500 -0.000 -3.463) 3.499 15.406 ( 0.490 0.000 -3.197) 3.234 ======================= Grid point 173 (88/312) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 13.637 0.000 -2.679) 13.897 2.221 ( 14.349 -0.000 -1.963) 14.483 3.513 ( 0.238 0.000 -1.392) 1.412 3.622 ( 5.252 -0.000 3.654) 6.398 4.811 ( -2.431 0.000 -2.895) 3.781 4.865 ( 0.362 0.000 -0.085) 0.372 5.149 ( -6.681 0.000 -1.082) 6.768 5.203 ( -3.284 -0.000 0.138) 3.287 5.490 ( -1.431 0.000 -4.732) 4.944 5.712 ( 10.475 0.000 4.835) 11.537 5.947 ( -10.686 0.000 6.645) 12.584 6.166 ( -11.002 -0.000 15.628) 19.112 6.577 ( 16.069 0.000 3.207) 16.386 6.708 ( 12.870 0.000 10.653) 16.707 7.830 ( 1.538 -0.000 -4.371) 4.633 7.886 ( 4.016 0.000 -0.490) 4.046 8.806 ( -3.187 -0.000 5.670) 6.504 8.831 ( -2.993 0.000 6.472) 7.130 9.091 ( -1.099 0.000 0.051) 1.100 9.209 ( 3.778 0.000 3.862) 5.403 9.496 ( 1.236 -0.000 -7.029) 7.137 9.578 ( 3.064 0.000 -2.397) 3.890 10.013 ( 5.449 0.000 -3.883) 6.691 10.055 ( 1.278 -0.000 -3.299) 3.538 10.301 ( -5.348 0.000 -0.656) 5.388 10.535 ( -10.005 0.000 8.678) 13.245 11.134 ( 8.319 0.000 -7.040) 10.898 11.315 ( 9.728 0.000 3.194) 10.239 11.772 ( -8.540 0.000 -8.914) 12.344 11.904 ( -4.256 0.000 -5.907) 7.280 12.516 ( 0.369 -0.000 0.586) 0.693 12.579 ( 3.121 0.000 0.479) 3.157 13.615 ( -11.174 0.000 -3.030) 11.577 13.756 ( -7.011 0.000 4.192) 8.169 15.370 ( -1.371 -0.000 -4.367) 4.577 15.393 ( -1.921 0.000 -3.765) 4.227 ======================= Grid point 175 (89/312) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 19.510 0.000 -4.636) 20.053 2.565 ( 18.907 -0.000 -3.704) 19.266 3.549 ( 3.313 0.000 -3.308) 4.682 3.726 ( 4.873 -0.000 4.134) 6.391 4.748 ( -4.123 0.000 -2.133) 4.643 4.832 ( -4.825 -0.000 4.394) 6.526 5.015 ( -5.080 0.000 -4.105) 6.531 5.115 ( -5.378 -0.000 1.858) 5.690 5.467 ( -1.992 0.000 -7.296) 7.563 5.853 ( 3.067 0.000 2.157) 3.750 5.903 ( -1.801 -0.000 11.637) 11.776 6.009 ( 5.684 0.000 10.198) 11.675 6.881 ( 13.378 0.000 2.248) 13.566 6.937 ( 9.695 0.000 8.615) 12.970 7.898 ( 5.566 -0.000 -6.095) 8.254 7.994 ( 6.353 0.000 -0.189) 6.356 8.706 ( -7.259 -0.000 4.974) 8.800 8.735 ( -6.229 0.000 5.895) 8.576 9.057 ( -2.728 0.000 -2.166) 3.484 9.257 ( 1.785 0.000 5.393) 5.681 9.628 ( 11.020 0.000 -8.199) 13.735 9.666 ( 5.495 0.000 -3.522) 6.527 9.937 ( -7.280 0.000 -2.349) 7.650 10.166 ( 8.036 0.000 -3.065) 8.600 10.236 ( -16.126 0.000 7.687) 17.864 10.425 ( 13.186 0.000 4.716) 14.003 11.327 ( 7.175 0.000 -4.429) 8.431 11.486 ( 6.624 -0.000 3.887) 7.680 11.594 ( -7.460 0.000 -7.124) 10.315 11.748 ( -10.129 0.000 -2.348) 10.397 12.482 ( -5.689 0.000 -5.925) 8.214 12.650 ( 3.944 -0.000 -2.455) 4.645 13.405 ( -8.219 0.000 0.825) 8.260 13.511 ( -16.760 0.000 8.043) 18.590 15.330 ( -4.185 -0.000 -5.953) 7.277 15.338 ( -1.979 0.000 -5.032) 5.407 ======================= Grid point 177 (90/312) ======================= q-point: ( 0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 16.459 0.000 -5.940) 17.499 2.927 ( 16.464 -0.000 -5.164) 17.255 3.645 ( 6.401 0.000 -4.626) 7.898 3.815 ( 4.304 -0.000 2.058) 4.771 4.642 ( -6.385 0.000 0.086) 6.386 4.681 ( -8.758 0.000 4.451) 9.824 4.958 ( -1.852 0.000 -1.652) 2.481 5.001 ( -5.745 -0.000 2.933) 6.450 5.413 ( -2.274 0.000 -4.157) 4.739 5.734 ( -9.348 0.000 12.166) 15.343 6.058 ( 15.501 0.000 -5.918) 16.592 6.283 ( 15.314 0.000 5.002) 16.110 7.085 ( 6.964 -0.000 2.318) 7.340 7.089 ( 5.674 0.000 7.320) 9.262 8.055 ( 10.139 -0.000 -8.225) 13.056 8.100 ( 3.064 0.000 -2.567) 3.997 8.513 ( -11.784 0.000 4.151) 12.493 8.623 ( -3.921 -0.000 7.432) 8.403 8.987 ( -3.739 0.000 -1.421) 4.000 9.301 ( 2.206 0.000 8.682) 8.958 9.697 ( -3.151 0.000 -0.493) 3.189 9.748 ( -11.809 0.000 -3.627) 12.353 9.958 ( 9.976 -0.000 -0.732) 10.003 9.996 ( 8.034 0.000 2.606) 8.446 10.412 ( 13.766 0.000 -6.584) 15.259 10.733 ( 16.859 -0.000 4.467) 17.441 11.247 ( -12.044 0.000 -2.484) 12.298 11.413 ( -14.519 0.000 1.663) 14.614 11.608 ( 5.476 0.000 -5.293) 7.616 11.687 ( 5.126 -0.000 1.895) 5.465 12.257 ( -15.938 0.000 -9.700) 18.658 12.712 ( 0.047 -0.000 3.529) 3.529 13.151 ( -16.318 -0.000 4.127) 16.831 13.315 ( -1.706 0.000 5.462) 5.722 15.241 ( -4.237 -0.000 -8.350) 9.363 15.288 ( -3.025 0.000 -5.299) 6.102 ======================= Grid point 179 (91/312) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 8.825 0.000 -5.994) 10.668 3.183 ( 8.618 0.000 -5.322) 10.129 3.795 ( 8.002 0.000 -6.221) 10.135 3.902 ( 4.033 -0.000 -2.326) 4.656 4.514 ( -5.628 0.000 2.674) 6.231 4.525 ( -6.393 0.000 4.495) 7.815 4.901 ( -3.853 0.000 3.539) 5.232 4.913 ( -2.624 -0.000 2.125) 3.376 5.402 ( 1.200 0.000 -0.776) 1.429 5.568 ( -7.098 0.000 8.272) 10.900 6.386 ( 15.584 -0.000 -11.421) 19.321 6.550 ( 10.027 0.000 -3.059) 10.484 7.169 ( 2.085 -4.986 4.555) 7.068 7.169 ( 2.314 4.986 6.042) 8.168 8.104 ( -1.454 0.000 -2.009) 2.480 8.230 ( -4.080 0.000 -7.840) 8.838 8.327 ( 5.256 -0.000 5.941) 7.932 8.593 ( 0.003 0.000 7.456) 7.456 8.929 ( -1.477 0.000 2.307) 2.740 9.243 ( -12.446 0.000 14.275) 18.939 9.508 ( -2.767 0.000 -4.268) 5.086 9.625 ( -3.616 0.000 2.919) 4.647 10.222 ( 15.225 -0.000 -2.297) 15.397 10.304 ( 17.879 0.000 -3.701) 18.258 10.683 ( 9.545 0.000 -7.095) 11.893 11.004 ( -8.027 -0.000 -1.956) 8.262 11.028 ( 2.007 0.000 -9.006) 9.227 11.094 ( -8.104 0.000 8.818) 11.976 11.685 ( 1.771 0.000 -5.290) 5.579 11.793 ( 1.867 0.000 4.112) 4.516 11.944 ( -9.313 0.000 -4.700) 10.432 12.488 ( -20.290 -0.000 18.526) 27.476 13.054 ( 4.736 -0.000 -6.160) 7.770 13.284 ( -2.511 0.000 4.678) 5.309 15.179 ( -1.693 -0.000 -9.206) 9.360 15.222 ( -3.309 0.000 -6.184) 7.013 ======================= Grid point 181 (92/312) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( -0.478 -1.252 -5.402) 5.566 3.257 ( 0.244 1.252 -5.358) 5.508 3.914 ( 2.569 -0.000 -6.888) 7.352 3.929 ( -2.592 0.000 -6.144) 6.668 4.450 ( -0.516 -0.000 4.873) 4.900 4.460 ( 1.093 0.000 4.864) 4.985 4.870 ( 1.011 -0.000 3.774) 3.907 4.879 ( -0.013 0.000 4.811) 4.811 5.455 ( 4.059 0.000 3.334) 5.252 5.456 ( -4.183 -0.000 3.492) 5.449 6.601 ( 4.332 -0.000 -12.137) 12.887 6.615 ( -4.482 0.000 -11.886) 12.703 7.183 ( -0.135 0.000 6.201) 6.202 7.194 ( 0.279 0.000 6.346) 6.352 8.093 ( -3.615 0.000 1.730) 4.008 8.113 ( 3.918 -0.000 1.896) 4.353 8.527 ( 7.780 -0.000 2.098) 8.058 8.554 ( -6.071 0.000 3.393) 6.955 8.973 ( 7.540 0.000 6.903) 10.223 8.976 ( -9.355 -0.000 5.835) 11.025 9.547 ( 3.610 -0.000 1.884) 4.072 9.552 ( -3.681 0.000 1.682) 4.047 10.516 ( 10.456 -0.000 -2.087) 10.662 10.524 ( -11.428 0.000 -2.706) 11.744 10.707 ( 15.232 0.000 -6.259) 16.467 10.708 ( -14.494 -0.000 -4.644) 15.220 11.091 ( -8.973 0.000 -4.883) 10.216 11.119 ( 9.728 -0.000 -2.878) 10.145 11.695 ( 1.066 0.000 -5.149) 5.258 11.706 ( -1.726 -0.000 -5.249) 5.525 12.092 ( -16.837 -0.000 15.520) 22.899 12.098 ( 16.816 0.000 15.753) 23.042 13.179 ( 6.172 -0.000 -0.411) 6.185 13.198 ( -6.041 0.000 -0.329) 6.049 15.169 ( -1.661 -0.001 -7.896) 8.069 15.178 ( 1.601 0.001 -8.046) 8.204 ======================= Grid point 183 (93/312) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -9.713 0.000 -6.467) 11.669 3.187 ( -8.101 0.000 -5.169) 9.610 3.809 ( -8.008 0.000 -5.294) 9.600 3.888 ( -3.864 -0.000 -2.649) 4.685 4.509 ( 5.552 0.000 2.675) 6.163 4.549 ( 6.857 0.000 4.799) 8.370 4.923 ( 3.452 0.000 1.991) 3.985 4.928 ( 4.626 -0.000 5.280) 7.020 5.402 ( -1.188 0.000 -0.782) 1.423 5.564 ( 6.911 -0.000 7.970) 10.549 6.394 ( -15.966 -0.000 -11.422) 19.631 6.537 ( -9.740 0.000 -3.503) 10.350 7.162 ( -2.218 -0.000 6.971) 7.315 7.181 ( -1.956 0.000 4.017) 4.468 8.092 ( 1.975 0.000 -1.919) 2.754 8.268 ( 8.235 -0.000 -3.967) 9.140 8.355 ( -9.262 -0.000 4.174) 10.160 8.597 ( 0.840 0.000 7.205) 7.254 8.914 ( 1.276 0.000 1.038) 1.645 9.214 ( 12.302 0.000 14.459) 18.984 9.507 ( 1.748 0.000 -4.741) 5.053 9.620 ( 3.729 0.000 2.872) 4.706 10.223 ( -15.425 -0.000 -3.020) 15.718 10.295 ( -17.748 0.000 -2.403) 17.910 10.679 ( -9.896 0.000 -7.774) 12.584 10.991 ( 8.497 0.000 -2.241) 8.787 11.029 ( 3.121 0.000 -9.306) 9.816 11.118 ( 2.108 0.000 9.721) 9.946 11.685 ( -2.064 0.000 -5.225) 5.618 11.783 ( -1.284 0.000 3.162) 3.412 11.941 ( 9.563 -0.000 -4.127) 10.415 12.494 ( 20.281 -0.000 18.454) 27.420 13.073 ( -4.830 -0.000 -6.035) 7.729 13.270 ( 2.709 0.000 4.670) 5.399 15.167 ( 1.630 -0.000 -9.130) 9.274 15.231 ( 3.341 0.000 -6.337) 7.164 ======================= Grid point 185 (94/312) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( -16.855 0.000 -6.960) 18.236 2.939 ( -16.169 -0.000 -4.820) 16.872 3.656 ( -6.796 0.000 -3.733) 7.754 3.807 ( -3.978 -0.000 2.083) 4.490 4.632 ( 6.128 0.000 0.072) 6.129 4.705 ( 8.192 0.000 4.891) 9.541 4.985 ( 2.692 0.000 -0.971) 2.862 5.036 ( 5.588 -0.000 4.426) 7.128 5.415 ( 2.535 0.000 -4.151) 4.864 5.728 ( 9.297 0.000 11.873) 15.080 6.059 ( -15.713 -0.000 -6.166) 16.880 6.275 ( -15.122 0.000 4.846) 15.880 7.089 ( -5.283 -0.000 7.496) 9.170 7.097 ( -6.953 0.000 2.742) 7.474 8.099 ( -10.512 -0.000 -5.651) 11.934 8.102 ( -2.207 0.000 -2.619) 3.425 8.532 ( 11.767 -0.000 4.037) 12.440 8.630 ( 3.573 -0.000 8.037) 8.796 8.974 ( 4.204 0.000 -2.669) 4.979 9.283 ( -2.100 0.000 9.504) 9.734 9.695 ( 3.268 0.000 -0.818) 3.368 9.719 ( 11.459 -0.000 -5.013) 12.508 9.954 ( -10.261 -0.000 -1.472) 10.366 9.991 ( -8.170 0.000 3.331) 8.823 10.409 ( -13.583 0.000 -7.420) 15.478 10.747 ( -17.132 0.000 5.450) 17.978 11.232 ( 11.638 0.000 -2.547) 11.914 11.406 ( 13.729 0.000 0.814) 13.753 11.606 ( -5.392 0.000 -5.208) 7.496 11.684 ( -4.674 -0.000 0.986) 4.777 12.266 ( 16.605 0.000 -8.862) 18.822 12.724 ( 0.162 -0.000 4.124) 4.127 13.163 ( 15.994 -0.000 3.723) 16.422 13.304 ( 1.759 0.000 5.495) 5.770 15.229 ( 4.250 -0.000 -8.339) 9.360 15.298 ( 3.132 0.000 -5.356) 6.205 ======================= Grid point 187 (95/312) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -19.125 0.000 -5.909) 20.017 2.578 ( -19.120 -0.000 -3.178) 19.382 3.550 ( -3.776 0.000 -2.527) 4.544 3.723 ( -4.647 -0.000 4.088) 6.190 4.736 ( 4.224 0.000 -2.018) 4.682 4.839 ( 4.211 -0.000 4.050) 5.843 5.053 ( 4.960 0.000 -2.489) 5.549 5.138 ( 4.474 -0.000 2.122) 4.952 5.473 ( 1.906 -0.000 -7.319) 7.563 5.852 ( -2.914 0.000 2.199) 3.651 5.907 ( 3.776 -0.000 12.367) 12.930 5.995 ( -7.598 0.000 9.423) 12.105 6.895 ( -13.208 0.000 2.554) 13.453 6.946 ( -9.270 0.000 9.160) 13.032 7.933 ( -6.039 -0.000 -4.029) 7.260 8.006 ( -6.332 0.000 -0.044) 6.332 8.720 ( 6.903 -0.000 5.459) 8.801 8.733 ( 5.684 0.000 6.224) 8.429 9.057 ( 3.407 0.000 -3.265) 4.719 9.241 ( -1.610 0.000 5.867) 6.084 9.614 ( -10.691 0.000 -8.158) 13.448 9.662 ( -5.616 0.000 -4.541) 7.223 9.932 ( 7.233 0.000 -2.487) 7.649 10.172 ( -9.145 0.000 -4.981) 10.414 10.208 ( 17.242 0.000 8.446) 19.199 10.435 ( -13.246 0.000 5.391) 14.301 11.310 ( -6.637 0.000 -4.954) 8.282 11.474 ( -6.183 -0.000 2.975) 6.862 11.589 ( 6.915 0.000 -6.764) 9.673 11.746 ( 9.674 0.000 -3.000) 10.128 12.500 ( 5.934 0.000 -5.161) 7.865 12.660 ( -4.103 -0.000 -1.962) 4.548 13.395 ( 8.337 0.000 0.857) 8.381 13.521 ( 16.697 0.000 7.869) 18.459 15.317 ( 4.192 -0.000 -6.005) 7.323 15.350 ( 2.107 0.000 -4.926) 5.357 ======================= Grid point 189 (96/312) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -12.918 0.000 -3.742) 13.449 2.227 ( -14.665 -0.000 -1.374) 14.729 3.508 ( -0.392 0.000 -0.753) 0.849 3.624 ( -5.029 -0.000 3.330) 6.032 4.802 ( 2.574 0.000 -2.900) 3.878 4.871 ( -0.224 0.000 0.295) 0.370 5.169 ( 5.509 0.000 -0.595) 5.541 5.211 ( 2.789 -0.000 -0.276) 2.802 5.489 ( 1.119 -0.000 -4.544) 4.680 5.716 ( -10.471 0.000 5.127) 11.659 5.947 ( 10.447 0.000 6.408) 12.255 6.150 ( 10.665 -0.000 15.350) 18.692 6.595 ( -15.860 0.000 3.452) 16.232 6.723 ( -12.892 0.000 11.579) 17.329 7.854 ( -2.191 -0.000 -2.814) 3.566 7.891 ( -4.650 0.000 -0.621) 4.691 8.817 ( 3.145 -0.000 6.290) 7.032 8.821 ( 2.671 0.000 5.981) 6.550 9.098 ( 1.133 0.000 -1.143) 1.610 9.199 ( -3.496 0.000 5.221) 6.284 9.486 ( -1.083 -0.000 -7.378) 7.457 9.578 ( -2.595 0.000 -3.033) 3.992 10.022 ( -5.118 0.000 -4.181) 6.609 10.041 ( -1.598 -0.000 -3.005) 3.403 10.319 ( 5.665 0.000 -0.574) 5.694 10.509 ( 10.000 0.000 8.084) 12.859 11.126 ( -7.824 0.000 -7.261) 10.674 11.310 ( -9.387 0.000 2.782) 9.791 11.763 ( 8.681 0.000 -8.632) 12.242 11.899 ( 4.439 0.000 -6.389) 7.780 12.532 ( -0.734 -0.000 0.916) 1.174 12.584 ( -3.512 0.000 0.790) 3.600 13.608 ( 11.303 0.000 -2.957) 11.683 13.764 ( 6.897 0.000 4.073) 8.010 15.380 ( 1.873 -0.000 -3.926) 4.350 15.384 ( 1.463 0.000 -4.116) 4.368 ======================= Grid point 231 (97/312) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -5.015 0.000 23.290) 23.824 1.540 ( -0.417 0.000 39.236) 39.238 2.448 ( -1.552 0.000 61.342) 61.362 3.306 ( -1.284 0.000 -20.364) 20.404 4.255 ( 0.648 0.000 7.670) 7.698 4.257 ( 0.137 0.000 2.435) 2.439 5.075 ( 0.855 0.000 22.346) 22.363 5.126 ( -0.636 0.000 16.872) 16.884 5.457 ( 0.560 0.000 -1.078) 1.215 5.805 ( -0.107 0.000 -10.860) 10.860 5.948 ( 0.280 0.000 -6.510) 6.516 6.027 ( 0.673 0.000 -11.633) 11.652 6.452 ( 0.239 0.000 2.131) 2.145 6.934 ( -0.335 0.000 -11.718) 11.723 7.001 ( -1.915 0.000 11.123) 11.287 7.792 ( 1.436 0.000 15.558) 15.625 8.147 ( -0.431 0.000 17.465) 17.471 8.343 ( -0.331 0.000 19.354) 19.357 9.212 ( -1.586 0.000 -18.924) 18.991 9.492 ( 0.617 0.000 -4.532) 4.574 9.821 ( 0.182 0.000 0.424) 0.462 9.966 ( 1.514 0.000 -11.924) 12.020 10.236 ( -0.284 0.000 -7.007) 7.012 10.266 ( 1.318 0.000 -1.985) 2.383 10.601 ( 0.418 0.000 -16.390) 16.395 10.749 ( 0.124 0.000 3.792) 3.794 11.226 ( -0.308 0.000 12.993) 12.996 11.308 ( -0.588 0.000 -8.558) 8.578 12.006 ( 0.377 0.000 12.603) 12.609 12.141 ( 0.220 0.000 -24.413) 24.414 12.715 ( 2.039 0.000 -9.512) 9.728 12.770 ( -2.171 0.000 -3.888) 4.453 13.820 ( 0.885 0.000 -1.173) 1.470 13.985 ( 1.626 0.000 -4.321) 4.616 14.264 ( -0.407 0.000 22.878) 22.882 16.158 ( -0.396 0.000 -7.673) 7.683 ======================= Grid point 232 (98/312) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 37.516 0.000 11.798) 39.328 1.565 ( 2.707 0.000 39.003) 39.097 2.430 ( 0.201 0.000 59.638) 59.639 3.343 ( 4.916 0.000 -19.769) 20.371 4.305 ( 4.514 0.000 -0.127) 4.515 4.308 ( 3.956 0.000 7.336) 8.335 4.846 ( -13.487 0.000 17.965) 22.464 5.112 ( 0.208 0.000 14.934) 14.935 5.709 ( 7.461 0.000 -10.179) 12.621 5.888 ( 13.736 0.000 2.123) 13.899 6.028 ( 6.483 0.000 -6.891) 9.461 6.110 ( 8.107 0.000 -8.388) 11.665 6.425 ( -2.221 0.000 0.899) 2.396 6.960 ( 3.052 0.000 -10.147) 10.596 6.968 ( -0.920 0.000 11.036) 11.074 7.819 ( 1.190 0.000 15.807) 15.851 8.117 ( -2.791 0.000 17.221) 17.446 8.237 ( -9.041 0.000 22.108) 23.886 9.185 ( -0.957 0.000 -18.666) 18.691 9.544 ( 4.251 0.000 -2.888) 5.140 9.913 ( 7.694 0.000 -2.957) 8.243 10.007 ( 2.190 0.000 -10.959) 11.176 10.103 ( -9.690 0.000 -8.306) 12.763 10.299 ( 1.829 0.000 -2.020) 2.725 10.589 ( -14.311 0.000 1.135) 14.356 10.765 ( 12.799 0.000 -15.159) 19.839 11.178 ( -4.153 0.000 13.115) 13.757 11.384 ( 6.469 0.000 -5.856) 8.726 12.034 ( 1.368 0.000 5.458) 5.627 12.150 ( 1.765 0.000 -16.478) 16.572 12.456 ( -24.226 0.000 -2.692) 24.375 12.728 ( -6.637 0.000 -3.393) 7.454 13.683 ( -16.676 0.000 10.943) 19.946 13.769 ( -5.985 0.000 -1.528) 6.177 14.219 ( -4.072 0.000 22.593) 22.957 16.502 ( 23.622 0.000 -23.681) 33.448 ======================= Grid point 233 (99/312) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 4.567 0.000 38.426) 38.696 1.865 ( 31.047 0.000 13.471) 33.843 2.513 ( 10.642 0.000 46.207) 47.417 3.487 ( 9.204 0.000 -17.745) 19.990 4.370 ( 1.247 0.000 6.819) 6.932 4.429 ( 7.708 0.000 -5.371) 9.395 4.639 ( -7.604 0.000 17.092) 18.707 5.182 ( 7.454 0.000 11.325) 13.558 5.712 ( -3.121 0.000 -19.441) 19.689 6.136 ( 3.369 0.000 -7.977) 8.659 6.238 ( 16.781 0.000 13.853) 21.761 6.334 ( 13.014 0.000 -4.836) 13.884 6.400 ( -0.182 0.000 -4.186) 4.190 6.997 ( 4.690 0.000 11.078) 12.030 7.069 ( 8.392 0.000 -5.916) 10.268 7.841 ( 0.988 0.000 16.058) 16.089 8.035 ( -5.327 0.000 16.359) 17.205 8.042 ( -9.358 0.000 22.564) 24.427 9.175 ( 0.025 0.000 -17.712) 17.712 9.647 ( 5.702 0.000 2.004) 6.044 9.898 ( -9.684 0.000 -7.294) 12.124 10.038 ( -0.718 0.000 -9.183) 9.211 10.071 ( 7.276 0.000 -4.986) 8.820 10.236 ( -20.382 0.000 -1.185) 20.416 10.342 ( 2.795 0.000 -3.075) 4.156 11.001 ( 3.964 0.000 -0.570) 4.005 11.124 ( 5.636 0.000 -0.731) 5.684 11.511 ( 5.193 0.000 -2.661) 5.835 11.853 ( -31.641 0.000 11.079) 33.525 12.024 ( -2.026 0.000 -11.338) 11.517 12.245 ( 7.411 0.000 2.608) 7.857 12.554 ( -9.565 0.000 -5.376) 10.972 13.540 ( -0.586 0.000 6.965) 6.989 13.590 ( -11.634 0.000 -3.178) 12.061 14.107 ( -7.223 0.000 21.826) 22.990 16.865 ( 12.499 0.000 -29.210) 31.771 ======================= Grid point 234 (100/312) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 4.586 0.000 37.703) 37.981 2.232 ( 8.745 0.000 42.908) 43.790 2.935 ( 27.508 0.000 8.605) 28.822 3.689 ( 10.643 0.000 -14.971) 18.368 4.346 ( -3.354 0.000 5.660) 6.579 4.527 ( -4.031 0.000 16.855) 17.330 4.598 ( 8.917 0.000 -10.259) 13.593 5.389 ( 11.996 0.000 7.736) 14.274 5.624 ( -5.326 0.000 -20.945) 21.612 6.188 ( 3.072 0.000 -7.834) 8.415 6.382 ( -2.024 0.000 -10.173) 10.372 6.459 ( 4.834 0.000 14.561) 15.343 6.626 ( 16.372 0.000 -0.740) 16.389 7.151 ( 8.658 0.000 14.247) 16.671 7.271 ( 9.499 0.000 -2.142) 9.738 7.827 ( -3.812 0.000 17.343) 17.757 7.937 ( -2.704 0.000 12.989) 13.267 7.956 ( 4.046 0.000 16.072) 16.573 9.183 ( 0.657 0.000 -16.437) 16.450 9.714 ( -8.873 0.000 -1.282) 8.966 9.714 ( -8.399 0.000 0.486) 8.413 9.833 ( -10.588 0.000 6.006) 12.173 9.968 ( -5.916 0.000 -9.065) 10.824 10.197 ( 5.548 0.000 -2.560) 6.111 10.412 ( 3.885 0.000 -4.605) 6.025 10.938 ( -4.374 0.000 12.181) 12.942 11.225 ( -27.080 0.000 17.139) 32.048 11.387 ( 14.777 0.000 -13.290) 19.874 11.643 ( 4.243 0.000 -6.280) 7.579 11.974 ( -2.623 0.000 -13.932) 14.177 12.372 ( -8.379 0.000 -7.060) 10.956 12.421 ( 9.822 0.000 8.000) 12.668 13.329 ( -13.919 0.000 -6.355) 15.301 13.569 ( 2.385 0.000 1.599) 2.872 13.940 ( -9.333 0.000 21.420) 23.365 17.026 ( 4.690 0.000 -28.009) 28.399 ======================= Grid point 235 (101/312) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 2.865 0.000 37.102) 37.213 2.356 ( 4.697 0.000 49.985) 50.205 3.415 ( 18.219 0.000 -4.003) 18.653 3.896 ( 9.942 0.000 -11.644) 15.311 4.251 ( -5.903 0.000 3.180) 6.705 4.472 ( -1.592 0.000 17.014) 17.088 4.764 ( 7.212 0.000 -13.416) 15.232 5.513 ( -5.275 0.000 -22.293) 22.909 5.602 ( 8.271 0.000 4.022) 9.197 6.240 ( -0.195 0.000 -14.794) 14.795 6.362 ( 2.341 0.000 -3.677) 4.359 6.494 ( -0.128 0.000 11.624) 11.625 6.922 ( 11.761 0.000 5.065) 12.805 7.254 ( 1.884 0.000 19.924) 20.013 7.335 ( -2.859 0.000 3.930) 4.860 7.760 ( -2.601 0.000 14.820) 15.047 8.013 ( 9.597 0.000 0.500) 9.610 8.190 ( 17.860 0.000 9.508) 20.233 9.183 ( -1.288 0.000 -11.832) 11.902 9.274 ( -24.734 0.000 -2.399) 24.850 9.554 ( -6.261 0.000 8.181) 10.302 9.841 ( -5.759 0.000 -13.000) 14.219 9.855 ( 2.075 0.000 13.978) 14.132 10.311 ( 6.415 0.000 3.737) 7.424 10.475 ( 1.970 0.000 -5.322) 5.675 10.751 ( -20.089 0.000 14.054) 24.517 10.871 ( -2.257 0.000 10.501) 10.741 11.653 ( 11.234 0.000 -10.828) 15.603 11.719 ( 3.149 0.000 -9.156) 9.682 11.924 ( -2.396 0.000 -13.376) 13.589 12.232 ( -5.304 0.000 -6.193) 8.154 12.610 ( 8.217 0.000 8.492) 11.816 13.071 ( -10.857 0.000 -10.077) 14.813 13.613 ( 1.822 0.000 -1.602) 2.426 13.759 ( -7.967 0.000 21.761) 23.174 17.077 ( 1.025 0.000 -26.890) 26.910 ======================= Grid point 236 (102/312) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.091 0.000 36.891) 36.891 2.429 ( 2.194 0.000 50.681) 50.728 3.607 ( 0.650 0.000 -6.998) 7.028 4.062 ( 3.453 0.000 -13.526) 13.960 4.131 ( -2.812 0.000 5.426) 6.112 4.459 ( -0.093 0.000 16.764) 16.764 4.848 ( 0.297 0.000 -13.620) 13.623 5.444 ( -0.641 0.000 -23.616) 23.625 5.685 ( -0.461 0.000 2.080) 2.131 6.216 ( 0.027 0.000 -18.032) 18.032 6.409 ( -0.801 0.000 0.407) 0.899 6.489 ( 0.123 0.000 11.021) 11.022 7.014 ( -3.184 0.000 8.244) 8.837 7.284 ( 0.536 0.000 6.240) 6.263 7.322 ( 6.058 0.000 21.004) 21.860 7.711 ( -2.624 0.000 13.599) 13.850 8.165 ( 1.940 0.000 -8.506) 8.724 8.469 ( -2.645 0.000 6.209) 6.749 8.929 ( 2.019 0.000 -1.532) 2.534 9.147 ( -0.094 0.000 -0.448) 0.458 9.508 ( 1.490 0.000 7.752) 7.894 9.762 ( -1.892 0.000 -16.064) 16.175 9.869 ( -0.583 0.000 15.798) 15.809 10.403 ( -7.023 0.000 13.409) 15.136 10.476 ( -1.957 0.000 -5.679) 6.007 10.507 ( 5.949 0.000 4.997) 7.769 10.854 ( 0.477 0.000 9.532) 9.543 11.757 ( 0.412 0.000 -10.912) 10.920 11.786 ( -0.426 0.000 -6.773) 6.786 11.884 ( 0.081 0.000 -15.042) 15.042 12.176 ( 0.095 0.000 -4.946) 4.947 12.702 ( -0.448 0.000 7.063) 7.077 12.945 ( -0.364 0.000 -11.300) 11.306 13.634 ( 0.168 0.000 -2.728) 2.734 13.672 ( 0.214 0.000 22.014) 22.015 17.078 ( -0.716 0.000 -26.606) 26.616 ======================= Grid point 237 (103/312) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -2.628 0.000 37.207) 37.299 2.436 ( -1.819 0.000 49.418) 49.451 3.444 ( -16.459 0.000 -4.829) 17.153 3.935 ( -9.118 0.000 -10.173) 13.661 4.235 ( 6.171 0.000 2.078) 6.511 4.467 ( 1.039 0.000 17.174) 17.206 4.769 ( -7.313 0.000 -12.248) 14.265 5.493 ( 4.949 0.000 -23.163) 23.686 5.589 ( -8.524 0.000 3.845) 9.351 6.249 ( 1.637 0.000 -16.693) 16.773 6.325 ( -4.785 0.000 -1.970) 5.175 6.500 ( 0.309 0.000 11.166) 11.170 6.851 ( -12.174 0.000 6.829) 13.959 7.353 ( 3.550 0.000 3.811) 5.209 7.428 ( 1.725 0.000 20.289) 20.362 7.660 ( -1.539 0.000 12.590) 12.684 8.070 ( -8.288 0.000 0.334) 8.295 8.151 ( -17.368 0.000 9.331) 19.716 9.210 ( 4.557 0.000 -7.138) 8.468 9.293 ( 23.801 0.000 -2.178) 23.900 9.590 ( 6.404 0.000 6.540) 9.154 9.771 ( 2.878 0.000 -15.076) 15.349 9.832 ( -3.008 0.000 15.236) 15.530 10.257 ( -5.220 0.000 1.642) 5.472 10.408 ( -4.344 0.000 -5.856) 7.291 10.772 ( 17.912 0.000 13.936) 22.695 10.884 ( 2.418 0.000 10.514) 10.788 11.639 ( -11.639 0.000 -10.416) 15.619 11.732 ( -2.723 0.000 -8.242) 8.680 11.930 ( 2.932 0.000 -13.860) 14.167 12.238 ( 5.812 0.000 -6.211) 8.506 12.584 ( -9.784 0.000 8.327) 12.847 13.063 ( 10.606 0.000 -9.945) 14.539 13.618 ( -1.743 0.000 -1.810) 2.513 13.766 ( 8.034 0.000 21.332) 22.795 17.050 ( -2.051 0.000 -27.019) 27.097 ======================= Grid point 238 (104/312) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -4.381 0.000 37.894) 38.146 2.343 ( -8.878 0.000 41.866) 42.797 3.002 ( -25.540 0.000 7.730) 26.684 3.743 ( -9.932 0.000 -13.335) 16.627 4.331 ( 3.091 0.000 4.629) 5.566 4.509 ( 3.202 0.000 18.314) 18.591 4.597 ( -9.119 0.000 -10.042) 13.565 5.382 ( -11.232 0.000 7.609) 13.567 5.605 ( 5.749 0.000 -21.740) 22.487 6.191 ( -3.609 0.000 -6.482) 7.419 6.337 ( 2.282 0.000 -11.716) 11.936 6.463 ( -5.309 0.000 13.504) 14.510 6.562 ( -15.976 0.000 0.474) 15.983 7.302 ( -11.641 0.000 13.174) 17.580 7.306 ( -8.697 0.000 -2.435) 9.031 7.699 ( 3.355 0.000 15.434) 15.794 7.964 ( -0.668 0.000 17.808) 17.821 7.990 ( 1.586 0.000 13.489) 13.582 9.267 ( 1.078 0.000 -14.995) 15.034 9.657 ( 3.225 0.000 3.389) 4.679 9.746 ( 8.623 0.000 0.302) 8.628 9.858 ( 14.770 0.000 4.220) 15.362 9.859 ( 5.166 0.000 -11.616) 12.713 10.170 ( -4.418 0.000 -4.009) 5.966 10.319 ( -4.171 0.000 -5.238) 6.696 10.948 ( 3.721 0.000 11.249) 11.849 11.213 ( 26.148 0.000 16.276) 30.800 11.373 ( -14.201 0.000 -12.027) 18.609 11.657 ( -4.597 0.000 -5.435) 7.118 11.988 ( 2.936 0.000 -14.328) 14.626 12.373 ( -10.433 0.000 8.093) 13.204 12.389 ( 8.950 0.000 -6.582) 11.109 13.308 ( 13.083 0.000 -6.979) 14.828 13.570 ( -2.855 0.000 1.009) 3.028 13.949 ( 9.406 0.000 21.176) 23.171 16.986 ( -4.678 0.000 -28.080) 28.467 ======================= Grid point 239 (105/312) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -4.705 0.000 38.596) 38.881 1.969 ( -30.850 0.000 14.265) 33.988 2.601 ( -11.494 0.000 44.258) 45.726 3.549 ( -9.215 0.000 -16.337) 18.757 4.346 ( -1.680 0.000 6.082) 6.310 4.421 ( -7.712 0.000 -2.954) 8.259 4.613 ( 7.180 0.000 16.068) 17.599 5.194 ( -6.597 0.000 11.355) 13.132 5.701 ( 3.483 0.000 -19.719) 20.024 6.131 ( -3.717 0.000 -7.567) 8.431 6.217 ( -17.098 0.000 10.742) 20.192 6.293 ( -12.271 0.000 -2.779) 12.582 6.366 ( 1.295 0.000 -4.914) 5.082 7.105 ( -9.142 0.000 -6.032) 10.952 7.111 ( -6.288 0.000 11.212) 12.855 7.738 ( 1.145 0.000 15.110) 15.154 8.068 ( 8.723 0.000 23.023) 24.620 8.068 ( 4.378 0.000 16.831) 17.391 9.267 ( -0.684 0.000 -17.126) 17.140 9.595 ( -4.556 0.000 2.795) 5.345 9.915 ( 6.767 0.000 -5.685) 8.838 9.945 ( 4.701 0.000 -11.274) 12.215 10.058 ( -6.757 0.000 -6.299) 9.238 10.250 ( 19.477 0.000 -0.495) 19.483 10.257 ( -1.794 0.000 -3.617) 4.038 10.975 ( -5.955 0.000 -4.358) 7.379 11.146 ( -3.524 0.000 3.435) 4.921 11.539 ( -5.929 0.000 -2.980) 6.635 11.812 ( 32.102 0.000 10.855) 33.888 12.038 ( 1.668 0.000 -10.209) 10.345 12.197 ( -6.684 0.000 1.442) 6.837 12.579 ( 9.799 0.000 -4.590) 10.821 13.526 ( -0.397 0.000 5.810) 5.823 13.556 ( 11.263 0.000 -4.041) 11.966 14.119 ( 7.315 0.000 21.700) 22.900 16.835 ( -11.336 0.000 -29.042) 31.176 ======================= Grid point 240 (106/312) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -38.562 0.000 12.063) 40.405 1.577 ( -3.320 0.000 39.073) 39.214 2.484 ( -2.749 0.000 58.653) 58.717 3.388 ( -6.512 0.000 -18.954) 20.042 4.286 ( -3.295 0.000 7.058) 7.789 4.299 ( -4.266 0.000 0.907) 4.362 4.821 ( 14.035 0.000 17.794) 22.663 5.130 ( -0.637 0.000 15.001) 15.015 5.694 ( -8.171 0.000 -9.072) 12.210 5.884 ( -12.130 0.000 0.540) 12.142 6.020 ( -6.298 0.000 -6.924) 9.360 6.085 ( -6.947 0.000 -8.877) 11.272 6.413 ( 3.027 0.000 0.717) 3.111 6.976 ( -3.956 0.000 -10.131) 10.876 7.037 ( -2.076 0.000 11.245) 11.435 7.763 ( 1.359 0.000 15.312) 15.372 8.133 ( 1.904 0.000 17.325) 17.430 8.249 ( 8.296 0.000 22.328) 23.820 9.245 ( -1.456 0.000 -18.188) 18.246 9.518 ( -2.867 0.000 -2.259) 3.650 9.907 ( -7.414 0.000 -3.422) 8.165 9.951 ( 0.336 0.000 -11.812) 11.816 10.115 ( 9.248 0.000 -7.915) 12.172 10.246 ( 0.460 0.000 -2.389) 2.433 10.590 ( 13.901 0.000 1.180) 13.951 10.751 ( -11.989 0.000 -14.874) 19.105 11.190 ( 3.412 0.000 13.166) 13.601 11.402 ( -7.015 0.000 -5.841) 9.129 12.028 ( -2.146 0.000 9.765) 9.998 12.135 ( -0.042 0.000 -20.760) 20.760 12.429 ( 25.255 0.000 -2.576) 25.386 12.753 ( 6.331 0.000 -3.260) 7.121 13.651 ( 16.244 0.000 9.909) 19.027 13.740 ( 6.950 0.000 -1.994) 7.230 14.231 ( 3.669 0.000 22.434) 22.732 16.498 ( -22.309 0.000 -23.506) 32.407 ======================= Grid point 241 (107/312) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -4.575 9.816 21.064) 23.685 1.570 ( -1.025 6.560 36.143) 36.748 2.790 ( -0.890 31.363 52.231) 60.931 3.203 ( -1.049 -10.111 -18.214) 20.858 4.260 ( 0.720 3.117 4.564) 5.574 4.366 ( 0.056 8.092 6.417) 10.328 5.138 ( 0.246 2.997 14.334) 14.646 5.168 ( 0.055 9.433 20.604) 22.661 5.476 ( 0.768 0.865 -1.370) 1.793 5.630 ( -0.206 -14.487 -12.705) 19.270 5.957 ( -0.189 -6.223 -9.427) 11.298 5.977 ( 0.611 0.454 -4.882) 4.941 6.527 ( 0.290 6.876 3.610) 7.771 6.924 ( -1.439 1.566 3.161) 3.809 7.167 ( -0.485 12.541 -5.562) 13.728 7.853 ( 1.368 6.358 14.506) 15.897 7.899 ( -0.707 -10.135 22.899) 25.052 8.747 ( -0.147 25.143 14.848) 29.200 9.149 ( -1.245 -6.817 -17.908) 19.202 9.499 ( 0.277 0.607 -4.181) 4.234 9.783 ( 0.138 -3.891 -0.352) 3.910 9.959 ( 1.226 -1.035 -10.834) 10.953 10.196 ( -0.294 -4.274 -5.835) 7.238 10.278 ( 0.818 0.557 -2.497) 2.686 10.523 ( 0.561 -7.470 -14.108) 15.973 10.780 ( 0.044 3.030 -0.133) 3.033 11.147 ( -0.661 -6.105 13.898) 15.194 11.251 ( 0.553 -5.708 -8.846) 10.542 12.043 ( 0.013 2.168 4.067) 4.609 12.113 ( 0.091 -2.739 -15.406) 15.648 12.642 ( 0.846 -6.559 -8.153) 10.498 12.757 ( -0.965 -1.388 -3.397) 3.794 13.807 ( 0.986 -1.171 -1.147) 1.913 13.964 ( 1.382 -2.115 -4.062) 4.784 14.336 ( -0.405 7.241 19.222) 20.544 16.107 ( -0.250 -4.999 -7.734) 9.213 ======================= Grid point 242 (108/312) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 35.006 5.108 11.658) 37.248 1.576 ( 1.507 5.507 36.298) 36.745 2.784 ( 0.515 31.886 50.782) 59.965 3.242 ( 4.970 -9.826 -17.913) 21.027 4.331 ( 5.686 4.164 3.700) 7.959 4.393 ( 2.526 6.696 4.615) 8.516 4.926 ( -13.338 8.044 16.001) 22.330 5.078 ( -3.856 -2.076 11.320) 12.137 5.668 ( 4.612 -5.169 -14.048) 15.663 5.815 ( 12.507 -10.430 -4.452) 16.883 5.952 ( 10.181 0.915 3.319) 10.747 6.145 ( 11.107 0.088 -5.218) 12.272 6.504 ( -1.730 6.888 2.261) 7.453 6.941 ( 3.262 2.262 5.021) 6.401 7.151 ( -1.005 12.728 -6.144) 14.168 7.862 ( -2.908 -9.950 22.532) 24.803 7.879 ( 1.035 6.112 14.704) 15.957 8.618 ( -11.057 21.877 15.113) 28.797 9.160 ( 1.742 -2.515 -16.563) 16.843 9.531 ( 2.962 -1.068 -2.316) 3.908 9.834 ( 2.098 -7.351 -3.049) 8.230 9.995 ( 2.083 -1.650 -9.647) 10.006 10.087 ( -5.237 -2.258 -6.785) 8.864 10.291 ( 0.057 -1.183 -2.466) 2.736 10.624 ( -12.384 2.722 -2.717) 12.968 10.704 ( 13.418 -5.886 -12.656) 19.361 11.088 ( -4.530 -5.595 13.418) 15.227 11.386 ( 9.641 -1.661 -5.684) 11.314 12.035 ( -1.104 -0.505 -3.624) 3.822 12.120 ( 1.140 -3.259 -7.742) 8.477 12.449 ( -19.389 -1.032 -3.526) 19.734 12.673 ( -8.351 -4.266 -1.793) 9.547 13.690 ( -11.853 0.517 4.001) 12.521 13.822 ( -6.012 4.059 0.770) 7.294 14.273 ( -5.829 5.801 19.504) 21.167 16.391 ( 20.683 -10.561 -19.670) 30.434 ======================= Grid point 243 (109/312) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 3.317 3.897 35.954) 36.317 1.914 ( 35.403 3.009 6.679) 36.153 2.837 ( 5.404 30.034 44.704) 54.127 3.390 ( 9.562 -9.432 -16.395) 21.194 4.426 ( 0.960 5.367 6.494) 8.479 4.467 ( 6.114 3.792 -3.661) 8.073 4.726 ( -7.148 8.626 15.799) 19.368 5.073 ( 4.670 -8.645 7.761) 12.521 5.666 ( -2.944 -4.696 -16.971) 17.853 5.984 ( 7.637 -13.838 -10.091) 18.753 6.237 ( 8.361 0.992 1.676) 8.585 6.382 ( 11.990 8.236 10.232) 17.785 6.558 ( 10.615 7.161 -3.686) 13.325 7.053 ( 7.284 4.726 9.177) 12.634 7.142 ( 1.321 8.185 -6.296) 10.411 7.791 ( -3.853 -8.441 20.820) 22.794 7.899 ( 0.977 5.836 14.692) 15.839 8.371 ( -12.775 16.870 14.847) 25.850 9.197 ( 1.787 2.102 -16.198) 16.431 9.615 ( 5.156 -3.512 3.154) 6.991 9.768 ( -6.757 -9.745 -5.652) 13.136 9.996 ( -4.234 -3.396 -6.419) 8.406 10.099 ( 3.770 0.964 -3.715) 5.380 10.233 ( -7.087 -2.041 -5.053) 8.940 10.418 ( -4.277 6.306 -4.621) 8.912 10.958 ( -3.375 -3.683 8.944) 10.245 11.003 ( 10.836 -8.408 -6.403) 15.136 11.576 ( 8.921 3.660 -4.744) 10.746 11.922 ( -26.441 4.259 5.031) 27.250 12.005 ( -5.311 -0.274 -8.552) 10.071 12.173 ( 3.626 -7.797 1.034) 8.661 12.487 ( -8.345 -4.793 -2.093) 9.849 13.569 ( -0.966 2.417 4.075) 4.835 13.681 ( -9.171 7.646 -3.080) 12.331 14.117 ( -9.567 1.740 20.138) 22.363 16.729 ( 12.367 -13.476 -25.995) 31.785 ======================= Grid point 244 (110/312) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 3.840 2.694 35.025) 35.338 2.479 ( 19.318 14.886 21.822) 32.726 3.047 ( 16.297 15.627 22.026) 31.543 3.603 ( 11.415 -8.381 -14.271) 20.105 4.376 ( -5.069 3.069 4.955) 7.724 4.606 ( 7.389 0.641 -7.898) 10.834 4.624 ( -3.496 9.439 15.931) 18.844 5.247 ( 11.034 -10.749 4.890) 16.162 5.589 ( -4.377 -3.842 -17.007) 17.977 6.103 ( 4.196 -11.598 -13.349) 18.175 6.286 ( 0.549 -1.210 -1.843) 2.272 6.635 ( 11.984 7.791 11.193) 18.155 6.773 ( 5.921 14.637 -2.040) 15.921 7.195 ( 8.079 4.667 10.469) 14.023 7.257 ( 7.977 -0.804 0.458) 8.031 7.742 ( -0.259 -4.567 15.194) 15.868 7.931 ( 2.839 4.576 13.217) 14.273 8.161 ( -6.126 12.006 12.936) 18.682 9.223 ( 0.573 3.298 -16.171) 16.514 9.609 ( -8.452 -7.289 -1.003) 11.206 9.718 ( -2.304 -0.334 3.183) 3.943 9.782 ( -8.344 -3.097 5.012) 10.215 10.065 ( -6.675 5.764 -6.368) 10.878 10.202 ( 3.616 -0.646 -4.574) 5.866 10.420 ( 2.236 1.277 -4.986) 5.612 10.808 ( -8.317 -8.284 14.348) 18.538 11.267 ( 10.683 -6.244 -8.935) 15.263 11.396 ( -21.813 9.476 10.718) 26.086 11.731 ( 6.377 6.371 -6.161) 10.918 11.929 ( -4.076 -4.475 -13.516) 14.809 12.212 ( -0.728 -12.641 -4.301) 13.373 12.434 ( 4.576 -0.545 5.052) 6.838 13.458 ( -12.711 11.656 -6.889) 18.571 13.588 ( 1.833 1.672 0.735) 2.588 13.910 ( -10.903 -2.795 20.680) 23.544 16.894 ( 4.978 -13.460 -26.162) 29.839 ======================= Grid point 245 (111/312) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 2.918 2.137 33.886) 34.078 2.721 ( 7.172 29.419 40.014) 50.180 3.395 ( 14.942 -0.706 -0.969) 14.990 3.826 ( 10.619 -7.067 -12.045) 17.544 4.252 ( -6.990 0.633 3.516) 7.850 4.578 ( -1.331 9.917 15.832) 18.729 4.743 ( 5.854 -2.289 -10.822) 12.515 5.446 ( 7.378 -10.182 -0.135) 12.575 5.502 ( -3.619 -2.636 -14.922) 15.579 6.147 ( 0.229 -10.568 -17.180) 20.172 6.320 ( 2.970 -1.085 -1.508) 3.503 6.784 ( 1.388 20.455 9.962) 22.794 6.829 ( 2.397 -5.880 2.037) 6.669 7.289 ( 1.851 4.036 19.020) 19.532 7.391 ( 3.684 3.802 1.133) 5.414 7.758 ( 0.112 0.385 11.711) 11.718 8.033 ( 7.773 2.337 2.782) 8.581 8.241 ( 13.761 4.983 9.587) 17.496 9.165 ( -9.716 -1.523 -8.854) 13.233 9.347 ( -13.090 6.832 -3.050) 15.078 9.547 ( -4.634 -0.245 6.062) 7.634 9.835 ( 2.897 -0.464 13.111) 13.435 9.929 ( -5.656 7.242 -9.219) 13.016 10.287 ( 5.054 -3.948 1.317) 6.547 10.460 ( 1.074 -1.597 -4.932) 5.294 10.616 ( -11.338 -5.707 14.058) 18.941 11.044 ( -10.154 10.761 9.773) 17.731 11.474 ( 7.387 -11.124 -10.946) 17.267 11.808 ( -0.183 -1.348 -11.887) 11.965 11.850 ( -2.051 -4.435 -8.481) 9.787 12.226 ( 3.024 0.764 -5.236) 6.095 12.584 ( 8.028 -2.460 7.353) 11.161 13.206 ( -11.367 12.823 -10.351) 20.020 13.611 ( -0.668 -0.948 0.747) 1.379 13.717 ( -6.775 -3.853 18.798) 20.350 16.950 ( 1.216 -13.099 -25.666) 28.841 ======================= Grid point 246 (112/312) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 0.770 2.351 33.108) 33.200 2.810 ( 1.809 32.695 44.305) 55.092 3.555 ( 0.348 -5.086 -6.989) 8.651 3.984 ( 1.772 -7.981 -13.485) 15.770 4.136 ( -1.223 1.151 5.457) 5.710 4.565 ( -0.182 9.955 15.498) 18.421 4.810 ( 0.304 -3.880 -11.261) 11.914 5.442 ( -0.960 -0.643 -18.906) 18.941 5.533 ( 0.098 -10.602 1.941) 10.779 6.136 ( -0.472 -9.328 -18.844) 21.031 6.359 ( -0.477 -1.879 -0.919) 2.146 6.784 ( -0.701 20.147 8.106) 21.728 6.838 ( -0.332 -10.858 5.551) 12.199 7.329 ( 2.499 4.292 18.440) 19.097 7.434 ( 1.848 7.356 5.562) 9.405 7.735 ( -2.172 2.556 11.609) 12.083 8.156 ( 1.163 -0.569 -5.302) 5.458 8.477 ( -1.366 1.431 7.087) 7.358 8.949 ( 1.262 1.729 -3.069) 3.742 9.219 ( -0.491 6.376 4.017) 7.552 9.525 ( 1.488 2.114 3.034) 3.986 9.845 ( -0.729 7.489 -12.354) 14.465 9.873 ( -1.192 1.639 14.900) 15.037 10.356 ( -4.924 -10.190 4.875) 12.323 10.453 ( -1.343 0.934 4.381) 4.676 10.459 ( 3.655 -0.393 3.724) 5.233 10.958 ( 0.362 7.837 7.457) 10.823 11.553 ( -0.307 -13.015 -11.939) 17.664 11.771 ( 0.339 -9.527 -13.560) 16.575 11.851 ( 0.237 -0.038 -5.354) 5.359 12.273 ( -0.209 7.847 -3.924) 8.776 12.676 ( -0.488 -2.495 6.253) 6.750 13.071 ( -0.351 12.359 -11.840) 17.119 13.574 ( 0.493 -6.533 12.374) 14.002 13.674 ( -0.053 0.243 6.431) 6.435 16.953 ( -0.647 -12.870 -25.543) 28.610 ======================= Grid point 247 (113/312) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -1.686 3.210 33.103) 33.301 2.788 ( -4.608 29.728 41.438) 51.207 3.412 ( -13.842 -2.280 -2.765) 14.298 3.859 ( -9.870 -7.720 -10.963) 16.650 4.239 ( 7.169 0.846 3.030) 7.829 4.570 ( 0.713 9.708 15.709) 18.481 4.750 ( -5.823 -2.218 -9.977) 11.763 5.416 ( -5.807 -8.960 -4.682) 11.659 5.504 ( 1.354 -3.568 -10.731) 11.389 6.132 ( -0.441 -11.321 -17.333) 20.707 6.299 ( -4.044 -0.728 -1.441) 4.355 6.782 ( 0.510 19.420 5.165) 20.101 6.798 ( -5.263 -2.801 6.808) 9.050 7.383 ( 1.194 3.652 7.717) 8.621 7.454 ( -1.159 2.033 13.834) 14.030 7.681 ( -2.691 2.323 10.186) 10.788 8.052 ( -9.373 -0.181 2.505) 9.703 8.230 ( -12.152 6.655 8.875) 16.454 9.186 ( 10.873 -2.397 -6.552) 12.919 9.354 ( 14.509 5.740 -0.891) 15.629 9.582 ( 4.026 -0.578 4.176) 5.829 9.808 ( -4.165 1.438 11.444) 12.263 9.885 ( 4.177 7.774 -8.650) 12.357 10.242 ( -4.259 -2.855 -0.472) 5.149 10.397 ( -3.397 -0.740 -4.778) 5.909 10.641 ( 10.489 -6.524 13.904) 18.599 11.049 ( 9.553 10.433 9.683) 17.143 11.464 ( -7.719 -11.569 -10.622) 17.500 11.816 ( 0.153 -0.474 -10.613) 10.624 11.857 ( 2.583 -4.713 -9.138) 10.601 12.226 ( -2.453 0.069 -5.114) 5.672 12.561 ( -9.196 -2.010 6.837) 11.634 13.194 ( 10.811 12.358 -9.941) 19.194 13.619 ( 0.102 -0.279 -0.502) 0.583 13.722 ( 7.580 -4.241 19.194) 21.068 16.925 ( -2.134 -12.833 -25.775) 28.872 ======================= Grid point 248 (114/312) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -3.423 4.451 33.832) 34.295 2.580 ( -18.678 15.158 22.580) 32.992 3.089 ( -15.137 13.426 20.894) 29.085 3.647 ( -10.892 -9.329 -12.858) 19.261 4.364 ( 4.795 3.256 4.628) 7.417 4.599 ( -1.506 5.955 11.722) 13.234 4.614 ( -3.266 4.231 -3.019) 6.139 5.232 ( -10.379 -11.244 4.651) 15.993 5.578 ( 4.533 -3.614 -16.681) 17.659 6.087 ( -4.386 -12.858 -14.020) 19.522 6.250 ( -0.755 0.206 -1.931) 2.083 6.616 ( -12.045 6.638 9.972) 16.987 6.756 ( -5.578 17.339 -0.971) 18.240 7.263 ( -9.620 -1.470 -0.855) 9.769 7.368 ( -8.759 4.326 10.738) 14.517 7.690 ( 3.956 -0.528 15.490) 15.996 7.895 ( -4.790 1.304 12.948) 13.867 8.183 ( 6.402 11.484 13.531) 18.867 9.291 ( 1.504 1.306 -15.233) 15.363 9.638 ( 3.908 -7.941 2.663) 9.242 9.660 ( 4.340 1.252 0.929) 4.612 9.777 ( 7.211 -2.212 3.827) 8.458 10.020 ( 8.810 7.244 -7.369) 13.579 10.174 ( -2.954 -0.761 -5.001) 5.857 10.332 ( -2.606 2.109 -5.740) 6.647 10.825 ( 7.914 -8.228 14.339) 18.329 11.250 ( -10.376 -6.307 -8.367) 14.746 11.381 ( 20.271 9.074 9.590) 24.192 11.737 ( -6.456 5.810 -4.737) 9.893 11.943 ( 4.293 -4.462 -13.607) 14.950 12.218 ( -0.175 -12.261 -2.949) 12.612 12.404 ( -3.345 -0.166 3.667) 4.967 13.431 ( 11.893 10.912 -6.821) 17.523 13.585 ( -2.465 1.290 0.174) 2.788 13.926 ( 11.198 -1.959 19.937) 22.950 16.858 ( -4.949 -13.049 -26.208) 29.692 ======================= Grid point 249 (115/312) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -4.171 5.722 34.718) 35.433 2.028 ( -34.591 3.296 7.258) 35.497 2.887 ( -6.073 27.875 44.308) 52.698 3.440 ( -9.573 -10.558 -15.014) 20.701 4.399 ( -2.145 5.082 5.799) 8.004 4.466 ( -5.644 4.406 -1.876) 7.402 4.700 ( 6.938 8.636 15.019) 18.662 5.076 ( -3.764 -9.276 8.079) 12.864 5.661 ( 3.464 -4.464 -16.618) 17.552 5.958 ( -8.282 -13.993 -10.981) 19.621 6.215 ( -6.515 1.425 0.453) 6.685 6.363 ( -12.352 8.578 10.843) 18.540 6.547 ( -10.494 8.577 -4.094) 14.158 7.158 ( -8.598 4.890 -1.877) 10.068 7.165 ( -2.515 6.173 4.771) 8.197 7.779 ( 3.632 1.865 16.420) 16.920 7.858 ( 0.497 -3.226 19.012) 19.290 8.387 ( 12.257 16.467 15.171) 25.525 9.278 ( -2.436 0.679 -15.618) 15.821 9.570 ( -3.874 -2.448 3.160) 5.567 9.785 ( 5.601 -9.498 -4.647) 11.965 9.927 ( 3.668 -0.872 -8.739) 9.518 10.098 ( -2.998 0.554 -4.157) 5.155 10.211 ( 4.887 -2.660 -4.086) 6.903 10.360 ( 9.246 7.451 -5.448) 13.064 10.942 ( -3.861 -2.710 -0.402) 4.734 11.013 ( -3.824 -10.084 3.550) 11.354 11.578 ( -9.146 1.837 -4.481) 10.349 11.890 ( 26.499 4.868 5.502) 27.499 12.019 ( 4.644 -0.430 -9.137) 10.259 12.157 ( -3.417 -4.592 1.420) 5.897 12.492 ( 9.306 -6.519 -2.217) 11.577 13.548 ( 0.002 1.929 2.493) 3.152 13.645 ( 9.064 7.355 -2.764) 11.995 14.137 ( 9.441 2.366 19.525) 21.817 16.703 ( -11.330 -13.150 -25.819) 31.111 ======================= Grid point 250 (116/312) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -36.175 5.000 11.865) 38.398 1.613 ( -3.412 6.600 35.328) 36.101 2.814 ( -2.000 30.530 50.689) 59.207 3.279 ( -6.236 -10.620 -16.973) 20.970 4.306 ( -4.877 3.718 4.341) 7.513 4.391 ( -2.513 7.185 4.557) 8.872 4.903 ( 13.778 8.212 15.840) 22.543 5.089 ( 3.768 -2.473 11.651) 12.492 5.664 ( -5.622 -3.726 -12.769) 14.441 5.787 ( -9.841 -12.390 -7.334) 17.440 5.957 ( -10.581 2.399 3.911) 11.533 6.133 ( -10.474 0.336 -5.289) 11.739 6.494 ( 2.080 6.921 2.093) 7.523 6.997 ( -5.904 2.740 3.202) 7.254 7.168 ( 0.390 11.154 -4.142) 11.904 7.825 ( 1.513 6.332 14.261) 15.676 7.889 ( 1.532 -9.305 22.827) 24.698 8.625 ( 10.557 21.653 15.094) 28.428 9.208 ( -3.936 -3.664 -15.456) 16.365 9.515 ( -1.738 -0.078 -2.526) 3.067 9.831 ( -2.268 -7.017 -3.622) 8.216 9.949 ( -0.039 -0.590 -10.638) 10.654 10.099 ( 5.065 -2.397 -6.299) 8.430 10.254 ( 1.396 0.178 -3.030) 3.341 10.621 ( 12.940 2.521 -2.510) 13.420 10.690 ( -12.912 -5.853 -12.482) 18.889 11.097 ( 4.316 -6.439 13.943) 15.953 11.383 ( -9.922 -3.005 -5.736) 11.849 12.038 ( 0.791 -0.129 -0.653) 1.034 12.113 ( -0.354 -2.510 -11.189) 11.473 12.431 ( 19.803 -0.156 -2.917) 20.018 12.690 ( 8.564 -5.001 -1.802) 10.080 13.653 ( 11.989 0.381 3.205) 12.416 13.796 ( 6.831 4.206 0.389) 8.031 14.287 ( 5.220 5.890 19.249) 20.796 16.387 ( -19.587 -10.574 -19.463) 29.568 ======================= Grid point 251 (117/312) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -3.239 15.500 15.443) 22.118 1.845 ( -1.215 21.773 21.849) 30.869 2.957 ( -0.469 -14.868 -14.862) 21.028 3.489 ( -0.532 39.326 39.336) 55.625 4.349 ( 0.814 5.210 5.210) 7.413 4.540 ( -0.018 9.532 9.543) 13.488 5.252 ( -0.587 8.209 8.247) 11.651 5.315 ( 0.374 -17.299 -17.208) 24.403 5.416 ( 0.286 15.114 15.057) 21.336 5.472 ( 1.158 -1.463 -1.470) 2.375 5.843 ( -0.988 -4.411 -4.403) 6.310 5.969 ( 0.384 -0.153 -0.173) 0.448 6.670 ( 0.294 7.170 7.154) 10.133 6.994 ( -1.338 4.904 4.923) 7.077 7.324 ( -0.211 1.368 1.357) 1.939 7.904 ( -0.803 12.396 12.382) 17.539 8.030 ( 1.216 12.004 12.008) 17.023 8.945 ( -0.584 -14.832 -14.801) 20.962 9.165 ( -0.039 17.859 17.833) 25.238 9.501 ( -0.255 -1.372 -1.354) 1.945 9.694 ( -0.031 -4.211 -4.235) 5.972 9.903 ( 0.588 -5.901 -5.857) 8.335 10.092 ( -0.953 -5.299 -5.277) 7.539 10.261 ( 0.478 -2.483 -2.557) 3.596 10.351 ( 1.116 -9.984 -9.932) 14.127 10.812 ( -0.483 -0.842 -0.925) 1.341 11.103 ( 0.822 -7.112 -7.246) 10.186 11.116 ( 0.435 2.362 2.521) 3.483 11.972 ( -0.337 -10.068 -10.092) 14.259 12.068 ( 0.237 -3.166 -3.181) 4.494 12.542 ( 0.173 -2.134 -2.085) 2.989 12.721 ( -0.499 -2.279 -2.290) 3.269 13.783 ( 1.023 -1.273 -1.273) 2.071 13.910 ( 0.795 -3.354 -3.362) 4.815 14.520 ( -0.332 11.609 11.609) 16.420 15.980 ( -0.054 -8.207 -8.201) 11.602 ======================= Grid point 252 (118/312) ======================= q-point: ( 0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 28.423 10.824 9.877) 31.978 1.839 ( 0.573 21.428 21.510) 30.367 3.007 ( 5.476 -14.112 -14.899) 21.239 3.483 ( 0.056 39.071 38.881) 55.120 4.435 ( 7.004 5.521 5.732) 10.602 4.537 ( -0.076 7.993 7.402) 10.894 5.045 ( -10.306 -2.776 -2.911) 11.063 5.125 ( -12.886 11.894 12.119) 21.316 5.522 ( 10.467 -7.959 -9.332) 16.124 5.606 ( -1.374 -9.456 -7.208) 11.969 6.055 ( 19.067 9.028 9.235) 23.029 6.114 ( 13.709 -2.712 -2.686) 14.230 6.635 ( -3.113 5.898 5.943) 8.933 7.025 ( 4.432 5.687 5.092) 8.827 7.312 ( -1.181 1.319 2.062) 2.718 7.867 ( -2.833 12.491 11.776) 17.399 8.050 ( 0.737 11.671 12.113) 16.837 8.839 ( -9.438 -4.314 -4.794) 11.432 9.182 ( 1.740 8.815 7.688) 11.826 9.506 ( 0.743 -2.027 -0.418) 2.199 9.685 ( -2.483 -6.357 -6.355) 9.326 9.923 ( 1.067 -6.559 -5.143) 8.403 10.019 ( 0.204 -4.418 -5.000) 6.675 10.246 ( -2.469 -3.558 -3.063) 5.304 10.564 ( 14.866 -7.848 -8.045) 18.636 10.636 ( -11.194 -2.037 -2.118) 11.574 11.082 ( -3.757 5.386 4.611) 8.024 11.308 ( 14.125 -6.010 -6.044) 16.498 11.953 ( -1.448 -10.237 -9.972) 14.364 12.028 ( -4.458 -5.189 -5.437) 8.738 12.441 ( -9.798 1.287 1.368) 9.976 12.620 ( -9.742 -1.290 -1.154) 9.894 13.686 ( -7.559 -1.235 -0.802) 7.701 13.876 ( -3.051 1.187 1.663) 3.672 14.438 ( -7.807 11.245 11.192) 17.683 16.148 ( 13.544 -14.127 -14.197) 24.178 ======================= Grid point 253 (119/312) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 2.992 20.109 20.236) 28.685 1.983 ( 32.861 4.923 4.034) 33.472 3.167 ( 10.403 -13.145 -14.237) 21.993 3.504 ( 2.031 37.443 37.257) 52.860 4.545 ( 0.824 5.958 6.130) 8.588 4.554 ( 1.818 4.838 3.855) 6.447 4.930 ( 0.409 -4.190 -1.679) 4.533 4.940 ( -5.201 11.511 9.440) 15.769 5.537 ( -3.305 -8.795 -10.164) 13.841 5.713 ( 7.415 -12.683 -10.448) 18.028 6.279 ( 5.597 2.114 2.333) 6.422 6.541 ( 18.639 8.551 8.697) 22.275 6.625 ( 8.358 0.187 0.434) 8.371 7.162 ( 8.746 6.718 5.775) 12.449 7.273 ( -2.444 1.762 2.962) 4.225 7.803 ( -3.162 11.848 10.763) 16.317 8.061 ( 0.351 11.143 11.933) 16.331 8.598 ( -13.758 5.077 4.543) 15.352 9.218 ( 1.135 -2.351 -4.796) 5.460 9.522 ( 0.680 -2.660 0.617) 2.814 9.651 ( 1.480 -2.004 -3.326) 4.156 9.912 ( -3.910 -5.697 -3.793) 7.883 10.093 ( 4.604 -1.748 -1.693) 5.207 10.162 ( -4.682 -4.930 -4.956) 8.413 10.467 ( -5.058 -2.105 -0.442) 5.497 10.863 ( 13.712 -6.463 -7.290) 16.820 10.962 ( -7.447 5.546 4.527) 10.330 11.598 ( 14.487 -1.798 -2.398) 14.794 11.871 ( -12.129 -8.650 -8.464) 17.134 11.923 ( -1.048 -10.562 -10.460) 14.902 12.155 ( -17.748 8.314 8.389) 21.319 12.436 ( -5.428 -0.367 0.032) 5.440 13.599 ( -1.038 0.008 0.394) 1.110 13.790 ( -5.784 2.303 2.954) 6.891 14.220 ( -13.831 10.018 9.823) 19.701 16.398 ( 10.295 -20.197 -20.027) 30.249 ======================= Grid point 254 (120/312) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 2.885 19.254 19.491) 27.549 2.615 ( 29.096 2.078 1.366) 29.202 3.402 ( 12.643 -12.011 -13.078) 21.798 3.560 ( 2.984 33.647 33.622) 47.660 4.450 ( -7.909 4.080 3.586) 9.595 4.612 ( 3.769 -0.019 -0.479) 3.800 4.847 ( -3.251 12.974 13.417) 18.945 5.093 ( 11.352 -4.722 -4.370) 13.048 5.477 ( -2.670 -7.674 -8.550) 11.795 5.819 ( 3.242 -16.045 -14.515) 21.878 6.301 ( -0.806 1.151 1.413) 1.993 6.708 ( 5.029 0.251 0.390) 5.050 7.005 ( 16.256 6.624 6.885) 18.856 7.247 ( 3.013 1.050 2.184) 3.867 7.344 ( 7.738 8.896 7.154) 13.791 7.766 ( 0.116 8.856 8.659) 12.386 8.072 ( 1.017 10.138 10.954) 14.960 8.358 ( -8.163 7.838 7.305) 13.470 9.214 ( -1.708 -6.555 -8.097) 10.557 9.533 ( 0.247 0.707 -1.470) 1.650 9.731 ( -9.715 -1.915 2.909) 10.320 9.752 ( 4.708 4.601 2.746) 7.133 10.122 ( 0.146 -6.294 -5.821) 8.574 10.136 ( -1.058 0.521 2.073) 2.385 10.413 ( -1.235 -4.162 -1.368) 4.552 10.768 ( -8.932 5.617 3.045) 10.982 11.130 ( 10.682 -6.938 -7.276) 14.669 11.544 ( -18.824 1.463 1.926) 18.979 11.801 ( 2.493 -0.705 -1.569) 3.029 11.841 ( -12.736 -2.479 -2.564) 13.225 11.995 ( 11.510 -6.888 -7.221) 15.234 12.425 ( 3.657 0.492 1.563) 4.008 13.595 ( -2.630 -0.185 0.122) 2.639 13.662 ( -4.425 2.611 3.301) 6.107 13.908 ( -16.914 7.927 7.400) 20.092 16.545 ( 4.757 -22.359 -22.031) 31.748 ======================= Grid point 255 (121/312) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 2.474 18.243 18.372) 26.009 3.115 ( 20.827 4.278 3.671) 21.576 3.592 ( -0.775 27.226 27.362) 38.608 3.644 ( 10.975 -11.355 -12.022) 19.847 4.286 ( -7.886 2.795 2.657) 8.778 4.685 ( 3.068 -3.137 -3.683) 5.729 4.802 ( -1.375 12.624 12.821) 18.045 5.301 ( 8.340 -4.709 -3.435) 10.175 5.431 ( -1.881 -5.292 -6.628) 8.687 5.846 ( -0.075 -19.347 -18.242) 26.591 6.304 ( 1.317 -1.029 -0.913) 1.905 6.719 ( -2.995 -3.930 -3.805) 6.237 7.131 ( 0.539 11.110 11.692) 16.138 7.424 ( 8.932 -0.597 -0.396) 8.960 7.446 ( 2.998 13.448 10.954) 17.602 7.802 ( 2.073 4.853 6.183) 8.129 8.118 ( 3.685 7.048 6.884) 10.519 8.362 ( 9.018 7.406 7.821) 14.048 9.120 ( -8.493 -3.814 -4.638) 10.401 9.465 ( -9.294 3.928 3.037) 10.537 9.565 ( -1.164 1.922 -0.279) 2.264 9.892 ( 6.152 8.327 10.222) 14.549 10.063 ( -4.585 2.374 3.482) 6.228 10.136 ( 0.837 -7.644 -4.684) 9.004 10.397 ( -0.562 -4.779 -4.005) 6.260 10.639 ( -4.173 7.262 5.262) 9.891 11.179 ( -11.092 -0.660 -0.587) 11.127 11.315 ( 2.820 -2.205 -2.566) 4.404 11.636 ( -7.386 -10.251 -10.306) 16.305 11.804 ( -0.543 -4.056 -4.252) 5.902 12.267 ( 12.879 1.587 0.768) 12.999 12.546 ( 7.211 0.004 1.231) 7.316 13.439 ( -9.001 0.663 2.486) 9.361 13.584 ( -14.172 5.665 3.075) 15.570 13.667 ( 1.316 1.060 1.981) 2.604 16.601 ( 1.345 -22.898 -22.646) 32.233 ======================= Grid point 256 (122/312) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 1.003 17.816 17.756) 25.174 3.422 ( 6.507 -3.385 -3.683) 8.208 3.509 ( -4.771 33.244 33.419) 47.379 3.782 ( 0.677 -12.485 -12.530) 17.702 4.183 ( -0.469 3.599 3.572) 5.092 4.719 ( 0.119 -4.796 -4.867) 6.834 4.787 ( -0.321 12.360 12.385) 17.500 5.385 ( -0.205 -3.588 -3.670) 5.137 5.411 ( -0.340 -4.582 -4.444) 6.392 5.836 ( -0.236 -20.691 -20.724) 29.286 6.323 ( -0.522 -2.039 -2.016) 2.915 6.671 ( 0.081 -4.764 -4.842) 6.793 7.123 ( -0.416 10.955 11.095) 15.597 7.500 ( 2.790 14.170 11.747) 18.617 7.518 ( 0.860 1.748 2.820) 3.428 7.808 ( -1.525 4.914 6.065) 7.953 8.171 ( -0.204 3.068 3.003) 4.298 8.551 ( 0.630 6.894 6.888) 9.766 8.957 ( -0.391 -2.088 -2.179) 3.043 9.347 ( -0.375 6.838 6.790) 9.644 9.563 ( 0.168 0.430 0.063) 0.466 9.970 ( 1.145 11.105 9.633) 14.745 10.003 ( -1.125 1.537 3.730) 4.188 10.145 ( -0.149 -5.393 -5.648) 7.810 10.383 ( -0.917 -5.024 -5.087) 7.208 10.586 ( -0.849 10.548 10.608) 14.983 11.053 ( 0.276 -0.642 -0.624) 0.937 11.344 ( -0.924 -6.514 -6.490) 9.242 11.568 ( 0.842 -11.407 -11.357) 16.118 11.800 ( 0.311 -4.354 -4.330) 6.148 12.410 ( -0.783 4.530 4.524) 6.450 12.637 ( -0.069 0.288 0.283) 0.410 13.324 ( -0.699 1.833 2.028) 2.821 13.431 ( 0.992 1.890 1.806) 2.796 13.680 ( -0.173 1.384 1.332) 1.929 16.607 ( -0.467 -22.848 -22.838) 32.308 ======================= Grid point 257 (123/312) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -0.809 18.181 17.946) 25.559 3.186 ( -19.840 1.488 2.022) 19.999 3.589 ( 2.754 29.392 29.069) 41.430 3.662 ( -10.540 -12.222 -11.587) 19.867 4.276 ( 7.774 2.801 2.861) 8.745 4.688 ( -2.996 -3.605 -3.142) 5.643 4.790 ( 0.727 12.473 12.302) 17.534 5.291 ( -8.882 -3.191 -4.387) 10.408 5.419 ( 1.489 -6.447 -5.093) 8.349 5.840 ( 0.121 -18.016 -19.189) 26.321 6.288 ( -1.900 -0.840 -0.922) 2.273 6.716 ( 2.495 -3.559 -3.836) 5.796 7.121 ( -0.495 11.646 11.275) 16.217 7.443 ( -8.517 -0.570 -0.825) 8.576 7.562 ( 1.628 12.650 13.837) 18.819 7.753 ( -3.180 5.471 4.773) 7.926 8.099 ( -5.628 5.720 6.117) 10.090 8.375 ( -8.834 8.114 7.799) 14.307 9.121 ( 9.268 -4.568 -3.898) 11.044 9.456 ( 9.677 3.791 3.990) 11.132 9.569 ( 0.796 -0.529 1.533) 1.806 9.908 ( -5.973 10.020 8.766) 14.592 10.044 ( 3.910 3.153 2.721) 5.712 10.127 ( -1.387 -4.364 -7.831) 9.072 10.365 ( -0.632 -3.728 -4.690) 6.024 10.619 ( 4.085 5.066 7.354) 9.820 11.178 ( 9.646 -2.015 -2.034) 10.062 11.295 ( -2.200 -1.749 -1.414) 3.146 11.655 ( 7.610 -9.704 -9.528) 15.584 11.814 ( 0.816 -3.956 -3.732) 5.499 12.247 ( -13.031 0.446 1.201) 13.093 12.540 ( -7.649 1.257 0.094) 7.752 13.418 ( 8.389 2.718 1.398) 8.928 13.613 ( 14.763 2.663 5.684) 16.042 13.658 ( -1.861 1.889 0.116) 2.655 16.583 ( -1.985 -22.471 -22.702) 32.004 ======================= Grid point 258 (124/312) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -2.172 19.211 18.912) 27.045 2.702 ( -28.353 0.535 1.153) 28.382 3.423 ( -12.478 -13.275 -12.205) 21.929 3.588 ( -2.228 33.987 33.892) 48.050 4.438 ( 7.580 3.803 4.205) 9.466 4.615 ( -3.823 -0.328 0.156) 3.840 4.825 ( 2.881 12.996 12.549) 18.294 5.076 ( -11.369 -4.202 -4.479) 12.922 5.461 ( 2.661 -8.312 -7.489) 11.501 5.816 ( -2.865 -14.228 -15.850) 21.491 6.276 ( 0.578 1.456 1.189) 1.967 6.693 ( -5.430 0.979 0.776) 5.572 7.013 ( -15.387 7.398 6.984) 18.446 7.257 ( -3.446 0.838 0.598) 3.596 7.476 ( -9.795 6.629 7.300) 13.899 7.761 ( 3.718 10.342 9.922) 14.806 8.009 ( -2.785 9.989 10.041) 14.435 8.373 ( 8.150 7.588 8.126) 13.785 9.233 ( 2.611 -7.892 -6.785) 10.730 9.546 ( -0.089 -1.555 0.842) 1.770 9.717 ( 11.677 1.205 -1.436) 11.826 9.765 ( -7.209 4.839 4.336) 9.705 10.101 ( -0.370 -6.784 -4.084) 7.927 10.113 ( 1.214 2.892 -1.437) 3.450 10.369 ( 1.405 -1.156 -4.038) 4.429 10.752 ( 8.983 2.885 5.486) 10.914 11.108 ( -10.543 -7.247 -6.902) 14.537 11.529 ( 18.000 1.972 1.513) 18.171 11.799 ( -4.843 -0.550 0.468) 4.896 11.860 ( 12.858 -2.273 -2.254) 13.251 11.994 ( -8.987 -8.247 -7.990) 14.581 12.412 ( -3.777 1.708 0.677) 4.200 13.585 ( 4.047 0.363 -0.031) 4.063 13.623 ( 2.211 2.796 2.285) 4.234 13.939 ( 16.681 7.099 7.612) 19.662 16.519 ( -4.688 -21.711 -22.016) 31.274 ======================= Grid point 259 (125/312) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -3.488 20.143 19.894) 28.525 2.083 ( -32.627 3.413 4.331) 33.090 3.190 ( -10.425 -14.533 -13.401) 22.349 3.535 ( -2.551 37.190 37.332) 52.757 4.516 ( -1.792 6.751 6.397) 9.471 4.554 ( -2.042 3.357 4.512) 5.983 4.914 ( 6.337 13.135 11.745) 18.725 4.930 ( -0.255 -5.236 -4.336) 6.803 5.522 ( 3.360 -9.912 -8.640) 13.572 5.715 ( -7.266 -10.275 -12.513) 17.747 6.257 ( -4.904 2.160 1.920) 5.692 6.529 ( -15.840 8.886 8.782) 20.174 6.631 ( -11.380 0.664 0.407) 11.407 7.252 ( -8.986 3.354 7.317) 12.064 7.285 ( 0.739 4.763 0.447) 4.840 7.842 ( 3.707 11.365 12.134) 17.033 7.986 ( 0.122 11.679 11.273) 16.232 8.612 ( 13.615 4.958 5.457) 15.483 9.248 ( -1.135 -4.823 -2.380) 5.496 9.536 ( -0.714 0.537 -2.728) 2.871 9.657 ( -1.940 -3.236 -1.954) 4.249 9.887 ( 3.504 -3.732 -5.728) 7.682 10.082 ( -3.703 -1.841 -1.753) 4.491 10.142 ( 4.906 -4.437 -4.533) 8.019 10.440 ( 6.478 -0.632 -2.150) 6.855 10.842 ( -13.655 -7.407 -6.509) 16.843 10.945 ( 7.464 4.599 5.529) 10.365 11.574 ( -14.344 -2.604 -2.093) 14.728 11.850 ( 12.481 -7.839 -7.894) 16.719 11.945 ( 0.863 -10.183 -10.470) 14.631 12.171 ( 17.300 8.342 8.295) 20.921 12.427 ( 5.869 0.006 -0.314) 5.877 13.571 ( 0.171 -0.127 -0.498) 0.542 13.757 ( 6.282 3.098 2.466) 7.426 14.243 ( 13.285 9.559 9.781) 19.066 16.380 ( -9.559 -19.691 -19.840) 29.542 ======================= Grid point 260 (126/312) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -30.367 9.146 9.895) 33.222 1.883 ( -2.504 21.339 21.424) 30.341 3.023 ( -6.014 -15.126 -14.296) 21.664 3.501 ( -1.032 38.827 39.014) 55.051 4.407 ( -6.019 5.717 5.461) 9.937 4.537 ( 0.016 7.508 8.149) 11.081 5.052 ( 10.212 -2.731 -2.555) 10.875 5.107 ( 13.417 12.221 11.947) 21.728 5.523 ( -10.247 -9.597 -7.602) 15.965 5.590 ( 0.897 -6.556 -9.441) 11.529 6.065 ( -16.586 8.530 8.369) 20.442 6.105 ( -15.033 -2.364 -2.377) 15.402 6.625 ( 3.310 6.040 5.955) 9.105 7.076 ( -6.819 4.796 5.538) 10.008 7.319 ( 0.939 2.111 1.212) 2.609 7.896 ( 1.538 11.918 12.604) 17.415 8.003 ( 1.333 12.117 11.691) 16.890 8.852 ( 9.415 -3.994 -3.558) 10.828 9.196 ( -3.078 7.139 8.382) 11.432 9.516 ( -1.139 -0.435 -2.089) 2.419 9.687 ( 2.400 -6.441 -6.471) 9.440 9.903 ( -0.294 -5.196 -6.424) 8.267 10.026 ( 0.588 -4.722 -4.333) 6.435 10.231 ( 2.986 -2.722 -3.196) 5.151 10.545 ( -14.613 -8.227 -8.096) 18.622 10.635 ( 12.034 -2.221 -2.066) 12.411 11.070 ( 4.190 4.620 5.388) 8.242 11.289 ( -13.736 -6.219 -6.241) 16.318 11.966 ( 0.862 -9.893 -10.234) 14.260 12.018 ( 5.044 -5.765 -5.524) 9.444 12.441 ( 9.172 2.179 2.147) 9.668 12.627 ( 10.340 -1.333 -1.436) 10.524 13.652 ( 8.248 -0.838 -1.263) 8.386 13.855 ( 3.762 1.640 1.156) 4.264 14.450 ( 7.161 11.057 11.121) 17.240 16.144 ( -12.878 -14.071 -13.986) 23.653 ======================= Grid point 261 (127/312) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -1.618 17.330 8.828) 19.516 2.347 ( -1.013 29.644 8.204) 30.775 2.657 ( 0.055 -16.381 -11.418) 19.968 4.201 ( -0.382 33.345 24.671) 41.481 4.382 ( 0.478 -5.360 5.918) 7.999 4.687 ( 0.490 4.578 10.829) 11.767 5.063 ( -0.558 -4.715 -18.670) 19.264 5.398 ( -0.305 3.720 3.904) 5.401 5.432 ( 0.107 -0.130 1.517) 1.526 5.636 ( 0.502 4.703 1.169) 4.872 5.843 ( 0.802 5.677 1.385) 5.898 6.058 ( -0.838 11.887 11.886) 16.831 6.770 ( 0.127 2.688 11.314) 11.629 7.039 ( -0.671 -2.455 9.674) 10.003 7.337 ( -0.901 4.438 5.166) 6.870 8.276 ( -0.414 23.752 1.177) 23.785 8.302 ( 0.944 16.344 9.581) 18.969 8.592 ( -0.266 -21.590 -10.220) 23.889 9.391 ( -1.371 4.519 17.357) 17.988 9.422 ( 0.922 -5.314 3.363) 6.356 9.663 ( -0.713 -0.802 -7.847) 7.920 9.712 ( 0.604 -12.275 -0.552) 12.302 10.044 ( -3.693 -0.592 -4.931) 6.189 10.142 ( 5.053 -11.521 -6.666) 14.237 10.212 ( -0.792 -1.670 -2.900) 3.439 10.808 ( -1.032 2.141 -1.436) 2.777 10.902 ( 1.865 -11.626 -8.622) 14.594 11.275 ( 0.282 10.457 -5.762) 11.943 11.707 ( -0.219 -16.390 -1.274) 16.441 11.974 ( 0.397 -6.288 -15.528) 16.758 12.550 ( -0.247 1.726 4.719) 5.031 12.675 ( -0.403 -2.419 -0.521) 2.507 13.762 ( 0.951 -0.914 -1.314) 1.862 13.845 ( 0.075 -3.342 -2.479) 4.162 14.764 ( -0.232 13.837 4.154) 14.449 15.799 ( 0.026 -10.792 -8.304) 13.617 ======================= Grid point 262 (128/312) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 21.753 14.085 5.805) 26.557 2.339 ( 0.214 29.888 7.225) 30.750 2.725 ( 6.725 -15.228 -11.790) 20.399 4.191 ( -0.615 33.264 25.582) 41.969 4.453 ( 5.714 -7.273 7.268) 11.763 4.675 ( -1.046 5.703 8.684) 10.442 4.961 ( -7.515 -1.535 -16.100) 17.834 5.322 ( -7.400 5.203 7.574) 11.798 5.463 ( -0.022 -3.234 -4.577) 5.604 5.494 ( -2.844 5.324 1.548) 6.231 6.058 ( 12.664 -2.685 0.355) 12.950 6.281 ( 19.493 13.883 10.067) 25.963 6.702 ( -6.017 0.584 10.284) 11.929 7.087 ( 5.169 -1.522 9.254) 10.709 7.324 ( -0.408 4.932 5.554) 7.439 8.241 ( -3.105 23.677 0.901) 23.897 8.316 ( 0.363 16.006 9.565) 18.650 8.579 ( -1.031 -19.095 -9.411) 21.314 9.298 ( -8.148 -1.736 13.760) 16.085 9.479 ( 4.114 1.403 4.420) 6.200 9.634 ( -2.000 -1.004 -8.358) 8.653 9.745 ( 1.868 -11.164 -1.466) 11.413 9.931 ( 0.748 -4.474 -4.214) 6.191 10.160 ( -3.647 -5.208 -3.631) 7.321 10.420 ( 14.443 -6.969 -3.607) 16.437 10.605 ( -9.912 -0.137 -1.440) 10.017 11.143 ( 10.859 -5.937 -4.422) 13.142 11.270 ( 1.562 8.233 -6.445) 10.572 11.696 ( -0.819 -14.498 -1.544) 14.603 11.924 ( -5.274 -6.083 -15.415) 17.391 12.491 ( -5.294 3.156 5.245) 8.094 12.607 ( -6.884 -0.431 -1.118) 6.987 13.645 ( -7.155 -2.738 -1.742) 7.857 13.872 ( -1.179 -1.246 2.526) 3.054 14.685 ( -7.526 14.376 2.926) 16.489 15.870 ( 6.102 -15.033 -11.140) 19.680 ======================= Grid point 263 (129/312) ======================= q-point: ( 0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 28.315 7.450 0.953) 29.294 2.353 ( 1.111 29.383 5.380) 29.892 2.913 ( 11.785 -13.160 -11.897) 21.298 4.181 ( -0.449 31.307 26.896) 41.276 4.539 ( 1.467 -8.010 8.436) 11.725 4.664 ( -2.020 5.123 5.612) 7.862 4.865 ( 1.490 0.225 -15.137) 15.212 5.184 ( -5.882 9.838 9.532) 14.908 5.393 ( -2.250 -2.218 -2.695) 4.153 5.542 ( 2.021 -5.104 -7.081) 8.960 6.291 ( 7.962 -0.955 6.106) 10.079 6.568 ( 0.026 -6.160 5.669) 8.372 6.711 ( 17.578 8.810 3.500) 19.971 7.216 ( 5.892 -2.711 10.907) 12.689 7.338 ( 3.527 9.294 3.253) 10.460 8.157 ( -5.104 21.866 1.259) 22.490 8.318 ( -0.123 15.732 9.295) 18.273 8.536 ( -3.994 -10.508 -5.121) 12.353 9.114 ( -7.533 -5.400 7.318) 11.810 9.558 ( 1.719 2.501 -6.610) 7.274 9.648 ( 5.232 0.401 3.001) 6.045 9.771 ( 1.041 -8.727 -1.251) 8.877 10.040 ( 6.414 -3.878 -1.059) 7.570 10.063 ( -4.568 -4.411 -3.819) 7.410 10.402 ( -7.989 -3.075 2.215) 8.842 10.736 ( 14.673 -7.327 -2.001) 16.522 11.121 ( -7.326 9.196 -4.960) 12.761 11.477 ( 10.276 -10.021 -2.532) 14.575 11.682 ( 0.963 -6.354 -3.064) 7.119 11.788 ( -6.611 -6.394 -13.302) 16.172 12.311 ( -14.797 7.361 5.743) 17.497 12.462 ( -3.872 2.668 -2.228) 5.203 13.560 ( -1.199 -3.786 -0.230) 3.978 13.777 ( -8.157 -2.658 8.649) 12.182 14.479 ( -12.646 16.301 -1.066) 20.659 15.994 ( 5.612 -21.790 -15.300) 27.210 ======================= Grid point 264 (130/312) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 1.677 28.171 3.700) 28.462 2.642 ( 25.745 1.675 -2.896) 25.961 3.172 ( 13.601 -11.499 -11.590) 21.249 4.176 ( -0.280 27.554 26.961) 38.551 4.486 ( -6.771 -1.482 0.162) 6.933 4.627 ( 0.761 2.354 6.207) 6.682 4.988 ( 7.191 -6.470 -6.510) 11.660 5.088 ( -3.734 7.990 7.093) 11.318 5.381 ( 0.747 2.521 -1.603) 3.079 5.553 ( -0.696 -11.023 -11.708) 16.096 6.302 ( -3.002 -1.359 5.460) 6.377 6.641 ( 3.996 -7.069 -0.234) 8.124 7.062 ( 15.906 0.963 0.807) 15.956 7.275 ( 1.945 1.368 10.712) 10.973 7.505 ( 10.923 8.857 1.918) 14.193 8.052 ( -5.079 18.081 3.226) 19.056 8.311 ( -0.729 14.349 8.897) 16.899 8.441 ( -2.988 0.869 0.502) 3.152 9.051 ( 0.039 -7.384 3.037) 7.984 9.546 ( -2.405 -1.774 -2.315) 3.781 9.715 ( -2.377 0.187 -0.205) 2.393 9.868 ( 10.731 4.965 0.697) 11.844 9.949 ( -4.931 -8.972 0.147) 10.239 10.165 ( 2.466 2.074 1.774) 3.678 10.293 ( -0.781 -6.882 1.265) 7.041 10.937 ( -8.278 7.729 -5.892) 12.767 11.010 ( 10.588 -3.957 -4.444) 12.145 11.409 ( -11.617 -10.167 -6.900) 16.909 11.704 ( -2.660 -7.030 -3.113) 8.136 11.870 ( 6.344 -0.200 7.231) 9.622 11.987 ( -8.615 5.751 -1.439) 10.458 12.474 ( 4.784 4.659 -4.429) 8.013 13.545 ( -9.561 -5.277 5.663) 12.302 13.582 ( -2.996 -6.690 9.899) 12.318 14.209 ( -13.682 19.940 -7.286) 25.256 16.077 ( 2.756 -26.126 -17.839) 31.755 ======================= Grid point 265 (131/312) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 1.624 26.997 2.638) 27.175 3.084 ( 17.666 -3.548 -5.924) 18.968 3.422 ( 10.618 -11.099 -11.265) 19.048 4.163 ( -1.167 26.050 27.202) 37.682 4.338 ( -7.002 2.403 -0.359) 7.412 4.656 ( 1.330 0.910 3.850) 4.173 5.020 ( -1.841 9.144 6.550) 11.397 5.110 ( 3.709 -18.711 -0.022) 19.075 5.399 ( 0.425 5.005 -3.835) 6.319 5.532 ( -0.806 -10.989 -14.063) 17.866 6.272 ( 0.196 -2.474 -0.192) 2.490 6.647 ( -2.477 -4.499 -9.286) 10.611 7.238 ( 1.105 2.148 12.413) 12.645 7.388 ( 8.973 -2.463 1.988) 9.515 7.703 ( 8.062 11.116 2.610) 13.978 7.967 ( -3.363 12.420 5.054) 13.824 8.297 ( -0.219 10.849 9.739) 14.580 8.503 ( 9.530 6.528 2.405) 11.800 9.031 ( -4.541 -3.969 0.138) 6.033 9.459 ( -5.523 -4.175 6.935) 9.799 9.647 ( -2.677 6.654 -3.442) 7.956 9.847 ( -5.198 -14.198 9.130) 17.662 10.105 ( 11.408 10.237 2.632) 15.552 10.179 ( 1.937 0.147 -4.242) 4.665 10.332 ( 0.805 1.731 -4.158) 4.575 10.824 ( -0.766 10.440 -3.777) 11.128 11.080 ( -9.274 -5.344 -6.184) 12.361 11.257 ( 2.625 -7.930 -5.934) 10.246 11.537 ( -14.492 0.028 5.984) 15.679 11.732 ( -2.212 -1.883 -5.259) 6.007 12.225 ( 14.534 -5.324 8.848) 17.830 12.626 ( 9.063 7.486 -5.746) 13.084 13.259 ( -14.869 -12.943 15.972) 25.371 13.565 ( -2.635 -5.250 1.428) 6.045 13.981 ( -7.845 23.239 -10.979) 26.873 16.109 ( 0.704 -28.200 -19.124) 34.080 ======================= Grid point 266 (132/312) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 0.891 26.383 2.303) 26.498 3.284 ( 0.897 -7.373 -8.048) 10.952 3.541 ( 0.135 -11.763 -11.257) 16.282 4.152 ( 0.787 28.759 29.193) 40.987 4.250 ( -0.615 2.431 -0.158) 2.513 4.668 ( -0.169 0.508 2.100) 2.167 5.000 ( -0.266 8.875 5.496) 10.442 5.152 ( 0.408 -23.195 6.137) 23.997 5.392 ( -0.694 3.076 -8.602) 9.162 5.530 ( 0.517 -7.428 -13.382) 15.314 6.281 ( -0.350 -2.193 -3.316) 3.991 6.607 ( -0.010 -3.455 -12.964) 13.417 7.238 ( 0.038 3.237 12.879) 13.279 7.490 ( 0.385 -3.306 2.598) 4.222 7.823 ( 4.293 16.217 7.426) 18.346 7.909 ( -2.757 6.282 2.552) 7.319 8.294 ( -0.617 9.574 10.008) 13.863 8.735 ( 2.063 11.719 2.670) 12.195 8.859 ( -1.894 -7.576 -0.965) 7.868 9.396 ( -0.437 -4.579 10.326) 11.304 9.618 ( -0.491 8.043 -4.658) 9.307 9.783 ( -0.368 -15.006 12.491) 19.528 10.237 ( 1.030 13.828 -1.151) 13.914 10.255 ( 3.061 -0.322 -4.066) 5.099 10.299 ( -2.736 5.460 -5.793) 8.418 10.859 ( -3.843 15.963 4.170) 16.940 10.918 ( 2.504 -8.875 -11.052) 14.394 11.304 ( -3.760 -1.562 4.817) 6.307 11.358 ( 3.808 -9.660 -6.762) 12.392 11.719 ( 0.242 -3.480 -5.540) 6.547 12.397 ( -1.163 -3.948 12.861) 13.503 12.745 ( 0.378 9.649 -4.563) 10.680 13.074 ( 0.511 -17.652 16.587) 24.228 13.511 ( -0.260 -3.887 -3.585) 5.294 13.909 ( -0.069 22.623 -9.319) 24.467 16.111 ( -0.245 -28.671 -19.545) 34.700 ======================= Grid point 267 (133/312) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -0.144 26.560 2.733) 26.701 3.116 ( -16.320 -5.074 -6.060) 18.133 3.424 ( -10.626 -11.645 -11.027) 19.238 4.189 ( 1.953 26.706 27.368) 38.289 4.322 ( 6.645 1.893 -0.063) 6.909 4.652 ( -1.410 0.988 4.519) 4.836 5.011 ( 1.510 9.777 6.283) 11.719 5.123 ( -3.505 -18.369 0.660) 18.712 5.374 ( -1.225 5.384 -5.153) 7.552 5.549 ( 1.394 -10.396 -14.439) 17.847 6.260 ( -0.583 -2.119 0.031) 2.198 6.645 ( 2.380 -4.625 -9.077) 10.462 7.242 ( -0.569 2.870 12.824) 13.153 7.399 ( -8.987 -3.166 1.211) 9.605 7.795 ( -6.921 8.743 3.312) 11.632 7.938 ( 5.213 14.572 4.841) 16.216 8.273 ( -1.116 11.964 9.228) 15.151 8.509 ( -10.242 4.710 2.878) 11.635 9.038 ( 6.215 -2.364 -0.103) 6.650 9.435 ( 4.203 -5.251 7.900) 10.375 9.634 ( 2.684 6.561 -3.128) 7.748 9.836 ( 4.800 -14.048 9.345) 17.542 10.125 ( -10.333 8.107 2.410) 13.353 10.214 ( -3.595 -0.049 -4.554) 5.802 10.312 ( 0.106 4.752 -5.821) 7.515 10.787 ( 0.595 10.454 -4.074) 11.236 11.061 ( 6.362 -5.531 -5.630) 10.137 11.251 ( -0.200 -7.016 -5.209) 8.740 11.560 ( 14.408 -0.089 6.305) 15.727 11.738 ( 2.124 -2.388 -4.934) 5.878 12.196 ( -15.004 -5.187 8.161) 17.850 12.636 ( -8.930 7.843 -5.901) 13.269 13.264 ( 14.327 -12.547 15.705) 24.685 13.557 ( 2.319 -5.506 1.365) 6.128 13.981 ( 8.080 23.037 -10.907) 26.739 16.099 ( -1.009 -27.779 -19.116) 33.736 ======================= Grid point 268 (134/312) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -1.301 27.023 3.841) 27.326 2.695 ( -24.704 -0.054 -2.686) 24.850 3.171 ( -13.698 -12.309 -11.207) 21.558 4.212 ( 0.267 26.824 26.258) 37.538 4.464 ( 6.394 -1.128 1.778) 6.732 4.623 ( -0.792 2.339 7.074) 7.493 4.999 ( -7.283 -4.866 -6.982) 11.201 5.073 ( 3.516 9.277 6.710) 11.977 5.353 ( -0.374 2.394 -1.576) 2.891 5.573 ( 0.650 -11.124 -12.735) 16.922 6.285 ( 2.727 -0.839 5.482) 6.180 6.640 ( -3.587 -6.514 -0.192) 7.439 7.076 ( -16.497 1.046 1.612) 16.608 7.279 ( -1.845 1.021 9.815) 10.039 7.610 ( -10.697 7.992 1.621) 13.451 8.055 ( 6.260 17.656 4.200) 19.198 8.259 ( -0.337 15.902 8.068) 17.835 8.444 ( 3.179 -0.464 1.269) 3.454 9.082 ( 0.725 -5.453 3.445) 6.491 9.514 ( 2.812 -3.333 -0.709) 4.418 9.718 ( 3.529 0.244 -1.266) 3.757 9.892 ( -11.007 4.054 0.106) 11.730 9.934 ( 4.536 -8.999 0.849) 10.113 10.166 ( -3.620 2.943 -0.019) 4.666 10.280 ( 0.440 -6.115 0.924) 6.200 10.908 ( 9.776 10.542 -7.559) 16.243 10.981 ( -11.142 -5.920 -2.204) 12.808 11.402 ( 10.872 -10.296 -6.354) 16.266 11.725 ( 1.964 -7.100 -2.479) 7.773 11.845 ( -8.815 -1.516 5.366) 10.430 11.993 ( 12.081 6.937 -0.086) 13.932 12.482 ( -4.955 5.397 -4.810) 8.764 13.539 ( 8.006 -4.711 3.938) 10.089 13.565 ( 3.407 -6.286 10.377) 12.602 14.215 ( 14.120 19.211 -6.747) 24.778 16.064 ( -2.660 -25.506 -17.750) 31.188 ======================= Grid point 269 (135/312) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -27.866 5.099 1.132) 28.351 2.415 ( -1.981 28.417 5.980) 29.106 2.911 ( -11.780 -14.120 -11.499) 21.688 4.211 ( -0.241 30.474 26.330) 40.274 4.518 ( -1.276 -7.822 8.681) 11.755 4.639 ( 0.685 5.731 6.468) 8.669 4.886 ( -0.461 1.093 -14.701) 14.749 5.172 ( 6.171 11.369 9.314) 15.940 5.373 ( 2.564 -1.258 -1.657) 3.302 5.559 ( -2.293 -6.700 -8.846) 11.332 6.275 ( -7.357 -0.576 6.002) 9.512 6.577 ( 0.419 -5.675 5.984) 8.258 6.710 ( -18.616 9.127 3.186) 20.976 7.228 ( -4.590 -2.998 11.672) 12.895 7.426 ( -6.251 9.274 1.956) 11.354 8.174 ( 5.288 20.170 2.718) 21.028 8.262 ( 0.624 17.340 8.108) 19.152 8.541 ( 4.191 -10.892 -3.941) 12.318 9.153 ( 7.352 -3.513 8.225) 11.578 9.560 ( 2.287 -0.416 -7.378) 7.735 9.640 ( -8.527 -0.282 2.296) 8.836 9.778 ( -2.018 -7.221 -1.473) 7.641 10.031 ( -3.656 -4.073 -1.792) 5.759 10.058 ( 2.704 -3.143 -3.824) 5.641 10.382 ( 8.250 -3.428 2.533) 9.287 10.711 ( -14.946 -6.794 -1.722) 16.508 11.096 ( 7.673 9.248 -4.779) 12.932 11.459 ( -10.683 -8.976 -1.773) 14.065 11.674 ( 1.093 -7.131 -5.003) 8.779 11.789 ( 5.054 -7.059 -11.797) 14.648 12.331 ( 15.238 7.634 5.783) 17.997 12.465 ( 3.647 3.369 -2.436) 5.531 13.535 ( 0.817 -3.397 -0.690) 3.561 13.763 ( 8.090 -1.708 7.822) 11.381 14.491 ( 12.670 15.730 -0.741) 20.212 15.985 ( -5.221 -21.330 -15.102) 26.651 ======================= Grid point 270 (136/312) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -23.152 11.873 5.915) 26.683 2.377 ( -1.874 29.363 7.751) 30.426 2.724 ( -6.623 -16.024 -11.475) 20.792 4.206 ( -0.298 32.542 25.250) 41.190 4.436 ( -5.170 -6.166 7.259) 10.837 4.656 ( 1.895 5.093 8.678) 10.239 4.980 ( 6.911 -0.694 -15.025) 16.553 5.319 ( 7.918 5.410 7.020) 11.884 5.457 ( 3.983 5.538 1.608) 7.009 5.493 ( -1.387 -2.879 -4.683) 5.670 6.046 ( -12.865 -2.847 0.508) 13.186 6.292 ( -19.106 13.946 9.459) 25.475 6.698 ( 6.027 1.027 10.341) 12.013 7.109 ( -5.805 -2.771 10.448) 12.269 7.361 ( -1.628 6.157 4.172) 7.614 8.255 ( 2.657 22.407 1.921) 22.646 8.280 ( 1.066 17.182 8.721) 19.298 8.586 ( 0.972 -19.307 -8.529) 21.129 9.321 ( 6.981 0.582 15.324) 16.849 9.486 ( -5.622 -0.905 3.171) 6.518 9.639 ( 4.071 0.162 -10.425) 11.193 9.733 ( -2.370 -12.351 -0.644) 12.593 9.940 ( 0.187 -4.127 -4.312) 5.972 10.154 ( 3.245 -5.136 -3.451) 6.987 10.399 ( -14.656 -6.395 -3.612) 16.394 10.593 ( 11.426 -0.945 -1.175) 11.525 11.120 ( -10.308 -5.570 -3.888) 12.344 11.262 ( -1.199 8.367 -6.952) 10.945 11.703 ( 0.731 -15.060 -1.750) 15.179 11.912 ( 5.544 -6.014 -15.036) 17.117 12.502 ( 4.583 3.385 5.339) 7.809 12.617 ( 6.917 -0.259 -1.375) 7.057 13.622 ( 7.785 -2.107 -2.015) 8.313 13.862 ( 1.637 -0.611 2.075) 2.713 14.693 ( 7.194 14.156 2.982) 16.157 15.867 ( -5.808 -14.941 -10.957) 19.417 ======================= Grid point 271 (137/312) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -0.372 17.509 2.477) 17.687 2.338 ( 0.316 -16.971 -7.465) 18.543 2.939 ( -0.644 31.803 0.175) 31.810 4.070 ( 0.273 -24.658 -0.026) 24.659 4.678 ( -0.356 15.337 6.797) 16.780 4.756 ( 0.298 3.850 1.836) 4.275 5.143 ( -0.562 8.632 -3.099) 9.189 5.357 ( 0.472 -2.733 7.146) 7.665 5.502 ( -0.338 2.745 1.333) 3.070 5.624 ( -0.598 -3.506 -2.232) 4.199 6.074 ( 1.582 17.758 9.343) 20.128 6.353 ( -1.137 15.500 14.925) 21.548 6.748 ( 0.288 -5.161 15.199) 16.054 6.918 ( -0.925 -8.804 14.565) 17.044 7.506 ( -1.035 12.023 -0.001) 12.068 8.161 ( -0.250 -22.401 -6.326) 23.278 8.642 ( 0.586 18.944 8.092) 20.608 8.743 ( -0.084 24.145 0.011) 24.146 9.299 ( -1.937 -5.753 4.016) 7.279 9.376 ( 0.768 -12.747 8.561) 15.374 9.435 ( 0.658 -6.300 5.614) 8.464 9.660 ( 0.430 -5.561 -9.539) 11.050 9.920 ( -2.049 -7.529 -3.846) 8.699 10.002 ( 2.129 -4.674 -4.313) 6.707 10.282 ( -0.461 8.131 -2.582) 8.544 10.677 ( 0.874 -11.651 -6.961) 13.600 10.911 ( 0.559 8.479 -2.655) 8.903 11.393 ( -0.002 -15.711 -0.760) 15.729 11.479 ( 0.113 10.436 -10.251) 14.629 11.837 ( 0.335 -8.029 -15.823) 17.747 12.581 ( -0.301 1.329 5.863) 6.020 12.633 ( -0.374 -1.857 1.827) 2.632 13.751 ( 1.095 -0.172 -1.260) 1.679 13.790 ( -0.768 -2.336 -1.745) 3.015 15.037 ( -0.151 14.643 -1.549) 14.725 15.573 ( 0.028 -12.888 -7.437) 14.880 ======================= Grid point 272 (138/312) ======================= q-point: ( 0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 16.327 15.079 0.772) 22.238 2.434 ( 8.908 -15.339 -8.353) 19.606 2.937 ( 0.457 32.172 -0.936) 32.188 4.105 ( 2.743 -25.405 -1.203) 25.580 4.680 ( 0.567 15.148 8.011) 17.145 4.763 ( 0.365 4.485 2.337) 5.071 5.069 ( -6.346 10.022 -1.063) 11.910 5.283 ( -5.187 -4.405 2.976) 7.427 5.458 ( -2.681 0.137 0.522) 2.735 5.698 ( 1.992 10.722 5.463) 12.197 6.046 ( 3.185 3.490 7.696) 9.031 6.526 ( 7.758 8.855 11.154) 16.218 6.648 ( -2.861 -4.733 12.414) 13.591 7.010 ( 7.507 -4.390 14.002) 16.483 7.504 ( 0.956 12.429 -0.402) 12.472 8.182 ( 2.208 -20.851 -6.148) 21.850 8.643 ( -0.749 18.218 7.468) 19.704 8.712 ( -2.877 23.977 0.546) 24.155 9.204 ( -7.195 -5.985 7.814) 12.192 9.429 ( 4.648 -11.372 2.231) 12.486 9.509 ( 5.057 -6.429 5.139) 9.660 9.614 ( -3.675 -6.046 -7.532) 10.334 9.881 ( 2.711 0.377 -4.787) 5.514 10.057 ( -2.642 -5.512 -4.791) 7.766 10.319 ( 7.929 -3.181 -0.905) 8.591 10.632 ( -7.621 2.301 0.805) 8.002 11.023 ( 11.023 -4.837 -7.555) 14.212 11.454 ( -2.303 7.987 -7.605) 11.267 11.458 ( 5.419 -7.952 -1.183) 9.696 11.797 ( -4.490 -7.169 -15.211) 17.405 12.543 ( -3.236 2.272 4.596) 6.063 12.596 ( -3.665 -0.719 0.193) 3.740 13.595 ( -8.686 -2.223 -1.656) 9.117 13.844 ( -1.041 -1.318 3.333) 3.732 14.973 ( -5.952 15.718 -2.924) 17.060 15.578 ( 0.398 -15.619 -9.088) 18.075 ======================= Grid point 273 (139/312) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 22.263 9.251 -2.699) 24.259 2.659 ( 12.606 -11.300 -10.142) 19.735 2.961 ( 2.380 31.491 -2.648) 31.692 4.155 ( 1.907 -24.851 -3.594) 25.182 4.698 ( 1.050 12.494 10.494) 16.350 4.755 ( -2.231 8.638 5.123) 10.288 4.931 ( -5.809 5.379 2.077) 8.185 5.214 ( -1.850 -2.602 -1.517) 3.534 5.406 ( -2.232 -1.926 -0.550) 2.998 5.661 ( -3.184 17.474 6.881) 19.049 6.241 ( 12.434 -4.767 8.749) 15.934 6.399 ( -9.228 -10.753 11.635) 18.334 6.846 ( 12.024 4.946 -0.407) 13.008 7.172 ( 7.740 -1.559 13.343) 15.504 7.557 ( 4.868 13.303 -1.584) 14.254 8.230 ( 1.798 -16.248 -5.386) 17.212 8.587 ( -5.015 17.682 3.349) 18.682 8.658 ( -2.203 19.775 5.688) 20.695 9.049 ( -6.413 -1.944 7.374) 9.964 9.501 ( -3.136 -10.358 -3.493) 11.372 9.559 ( 7.733 -6.832 -2.196) 10.550 9.685 ( 8.370 -1.672 3.494) 9.223 9.936 ( -2.639 -4.745 -3.366) 6.389 10.049 ( 8.192 1.526 -3.276) 8.954 10.371 ( -12.554 -0.223 2.537) 12.810 10.578 ( 11.753 -8.680 1.798) 14.721 11.238 ( 6.008 0.947 -9.845) 11.573 11.380 ( -3.432 3.142 -2.777) 5.419 11.601 ( 8.599 -3.015 2.197) 9.373 11.662 ( -8.045 -6.793 -13.982) 17.503 12.423 ( -11.041 4.277 4.402) 12.632 12.520 ( -1.205 2.937 -5.479) 6.332 13.477 ( -2.564 -4.140 1.031) 4.977 13.720 ( -11.298 -2.775 9.956) 15.313 14.816 ( -9.440 18.774 -6.461) 21.985 15.583 ( -0.017 -21.321 -12.147) 24.539 ======================= Grid point 274 (140/312) ======================= q-point: ( 0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 19.992 3.604 -5.886) 21.150 2.864 ( 6.277 6.772 -9.321) 13.120 3.072 ( 9.866 15.674 -6.420) 19.601 4.180 ( 0.725 -21.958 -6.613) 22.944 4.651 ( -6.445 7.702 6.246) 11.826 4.718 ( 0.102 11.190 15.523) 19.136 4.869 ( -1.618 -1.803 3.578) 4.321 5.171 ( -3.136 -0.136 -0.749) 3.227 5.382 ( -0.004 -4.598 -2.646) 5.305 5.627 ( -0.585 17.905 2.511) 18.090 6.229 ( -4.853 -7.458 7.900) 11.898 6.475 ( 7.502 -8.547 2.907) 11.738 7.069 ( 10.775 0.126 -3.225) 11.248 7.287 ( 3.712 -0.163 12.153) 12.708 7.704 ( 9.489 11.955 -2.652) 15.492 8.231 ( -1.603 -6.512 -2.542) 7.172 8.478 ( -4.927 11.232 4.092) 12.930 8.619 ( -1.256 14.980 7.603) 16.845 9.000 ( 0.953 1.259 6.756) 6.938 9.450 ( -2.249 -6.937 -0.088) 7.292 9.695 ( 4.268 -3.573 -5.109) 7.556 9.797 ( -4.337 -5.209 2.210) 7.130 9.930 ( 8.968 0.963 -0.142) 9.021 10.122 ( -7.759 -5.925 2.829) 10.164 10.281 ( 13.157 4.915 -0.515) 14.055 10.826 ( 10.467 -8.810 -2.987) 14.003 11.167 ( -6.655 10.332 -9.494) 15.530 11.287 ( -11.163 -2.362 -1.691) 11.535 11.570 ( -0.065 -7.133 -7.186) 10.126 11.813 ( 11.799 -3.891 5.749) 13.690 12.128 ( -17.048 6.779 3.652) 18.706 12.577 ( 7.064 5.229 -8.108) 11.958 13.417 ( -18.348 -6.250 14.983) 24.499 13.469 ( 0.346 -5.266 3.034) 6.087 14.618 ( -9.715 22.846 -10.529) 26.966 15.574 ( -0.817 -26.365 -14.547) 30.122 ======================= Grid point 275 (141/312) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 2.293 20.075 -7.649) 21.605 3.033 ( 12.343 -0.922 -7.845) 14.653 3.290 ( 9.759 2.425 -9.958) 14.152 4.186 ( -0.117 -17.486 -9.776) 20.034 4.540 ( -4.048 8.259 10.075) 13.642 4.710 ( -0.474 -2.665 13.075) 13.353 4.830 ( -2.507 2.540 8.108) 8.859 5.106 ( -2.644 -0.830 -0.328) 2.791 5.411 ( 2.963 -1.926 -1.784) 3.958 5.588 ( -3.831 12.196 2.156) 12.964 6.214 ( 2.702 -3.292 -2.741) 5.064 6.535 ( -0.764 -6.821 -9.581) 11.786 7.245 ( 5.101 -0.820 6.302) 8.149 7.353 ( 4.079 -1.055 7.979) 9.023 7.896 ( 8.741 10.303 -1.219) 13.566 8.174 ( -3.973 5.150 4.130) 7.705 8.447 ( 2.390 3.288 7.442) 8.480 8.626 ( 2.523 8.908 4.434) 10.266 9.024 ( -0.625 1.656 3.281) 3.728 9.365 ( -8.137 -3.626 2.496) 9.252 9.598 ( -6.243 -9.381 10.911) 15.685 9.750 ( -0.661 0.030 -4.268) 4.319 10.105 ( 6.560 -1.599 -4.146) 7.923 10.221 ( 15.296 0.978 -2.255) 15.492 10.485 ( 3.184 10.700 -4.134) 11.905 10.898 ( -2.924 -6.283 -10.174) 12.310 11.022 ( -8.336 -0.625 1.219) 8.447 11.171 ( 5.367 2.282 -3.853) 6.990 11.534 ( -7.351 -0.370 -0.465) 7.375 11.763 ( -12.390 3.893 -0.283) 12.990 12.113 ( 14.605 -5.408 10.749) 18.924 12.770 ( 10.064 5.763 -3.889) 12.232 13.029 ( -18.932 -9.063 14.872) 25.724 13.444 ( -3.485 -6.686 2.269) 7.874 14.458 ( -5.707 26.585 -12.663) 29.994 15.554 ( -0.981 -29.653 -16.035) 33.725 ======================= Grid point 276 (142/312) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 0.528 22.457 -7.280) 23.613 3.166 ( 0.147 -4.575 -8.572) 9.717 3.398 ( 0.132 0.551 -10.892) 10.907 4.178 ( -0.361 -14.020 -10.333) 17.420 4.502 ( 0.172 7.648 11.545) 13.850 4.719 ( 1.209 -15.584 6.903) 17.087 4.792 ( -0.178 11.655 14.428) 18.548 5.083 ( 0.387 -0.826 -0.563) 1.072 5.487 ( 1.186 5.557 -5.063) 7.611 5.499 ( -1.358 2.491 7.021) 7.573 6.262 ( -0.014 1.078 -7.521) 7.598 6.506 ( -0.278 -7.349 -15.820) 17.445 7.284 ( 0.326 2.145 10.956) 11.169 7.411 ( -0.010 -4.534 5.925) 7.461 8.021 ( 2.083 7.865 0.177) 8.138 8.105 ( -0.604 9.670 8.602) 12.956 8.497 ( 0.885 10.342 11.601) 15.567 8.709 ( -1.101 -6.621 -0.920) 6.774 8.950 ( 0.420 9.059 -2.470) 9.399 9.243 ( -1.057 -9.843 10.390) 14.351 9.558 ( -0.200 -5.910 12.004) 13.382 9.732 ( -0.463 -0.403 -4.641) 4.681 10.217 ( 0.548 3.879 -8.003) 8.910 10.439 ( -0.400 7.948 -9.647) 12.505 10.496 ( 1.506 8.581 1.968) 8.931 10.677 ( -1.439 -13.129 -11.265) 17.360 11.165 ( -4.946 -1.553 3.066) 6.023 11.253 ( 11.786 -0.248 6.583) 13.502 11.276 ( -6.634 11.667 -4.713) 14.225 11.671 ( 0.021 -2.490 -7.440) 7.846 12.336 ( -1.159 -0.948 15.063) 15.137 12.717 ( 0.607 -18.802 16.938) 25.314 12.952 ( 0.698 11.580 -2.511) 11.869 13.375 ( -0.523 -9.396 -1.340) 9.506 14.401 ( -0.051 28.070 -12.552) 30.749 15.541 ( -0.063 -30.775 -16.582) 34.958 ======================= Grid point 277 (143/312) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -2.550 17.269 -7.531) 19.011 3.042 ( -11.369 -1.363 -7.647) 13.769 3.296 ( -9.218 4.040 -9.799) 14.047 4.174 ( -0.235 -16.781 -8.438) 18.784 4.546 ( 4.117 7.033 9.129) 12.237 4.745 ( 1.420 -2.274 13.443) 13.707 4.831 ( 2.794 2.978 8.017) 8.997 5.120 ( 3.236 0.802 0.072) 3.334 5.416 ( -2.552 -2.235 -2.522) 4.227 5.576 ( 3.057 12.151 1.520) 12.621 6.212 ( -2.865 -2.660 -2.227) 4.499 6.527 ( 0.733 -7.392 -9.707) 12.223 7.262 ( -4.250 -0.412 7.316) 8.471 7.349 ( -4.428 -1.620 6.999) 8.439 7.953 ( -6.492 8.740 -0.388) 10.894 8.176 ( 4.227 6.721 3.931) 8.860 8.469 ( -3.208 3.919 7.743) 9.252 8.584 ( -3.040 9.416 3.943) 10.651 9.057 ( 2.193 0.830 2.639) 3.530 9.323 ( 7.216 -3.953 2.763) 8.680 9.587 ( 5.216 -9.094 11.748) 15.746 9.737 ( 0.463 0.333 -4.263) 4.301 10.115 ( -6.763 -1.871 -3.882) 8.019 10.230 ( -15.139 0.015 -2.463) 15.338 10.489 ( -3.239 10.021 -5.058) 11.683 10.876 ( 3.578 -4.688 -10.279) 11.851 11.006 ( 7.798 -0.493 1.523) 7.961 11.178 ( -5.896 2.915 -4.388) 7.906 11.549 ( 7.243 -1.366 -0.287) 7.376 11.765 ( 12.780 4.086 0.893) 13.447 12.091 ( -14.764 -4.891 10.068) 18.528 12.784 ( -9.606 5.724 -3.913) 11.847 13.037 ( 18.440 -8.919 14.763) 25.249 13.432 ( 3.336 -6.906 2.044) 7.938 14.456 ( 5.726 26.582 -12.598) 29.969 15.551 ( 0.943 -29.369 -15.972) 33.444 ======================= Grid point 278 (144/312) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -19.544 1.591 -6.328) 20.605 2.871 ( -8.304 1.666 -9.056) 12.399 3.103 ( -7.918 19.850 -5.414) 22.046 4.165 ( -0.635 -20.650 -4.904) 21.233 4.650 ( 5.419 4.866 6.149) 9.532 4.762 ( -0.030 15.153 15.674) 21.802 4.878 ( 2.228 -3.492 2.906) 5.060 5.190 ( 2.933 1.908 -0.977) 3.633 5.397 ( 0.392 -6.364 -3.610) 7.327 5.599 ( 0.183 19.369 2.377) 19.515 6.224 ( 4.668 -6.639 8.471) 11.732 6.474 ( -6.754 -9.275 2.428) 11.728 7.086 ( -11.263 0.336 -2.835) 11.619 7.287 ( -3.313 -0.177 11.992) 12.442 7.789 ( -9.050 10.671 -2.309) 14.181 8.230 ( 1.537 -5.859 -2.149) 6.427 8.484 ( 4.284 11.326 4.332) 12.860 8.586 ( 2.012 16.986 7.252) 18.578 9.052 ( -0.412 0.051 7.266) 7.278 9.405 ( 2.230 -6.617 -0.786) 7.027 9.688 ( -3.122 -4.373 -3.738) 6.545 9.784 ( 5.373 -4.976 2.436) 7.718 9.927 ( -9.633 -0.060 -0.285) 9.637 10.118 ( 5.803 -5.958 2.001) 8.554 10.279 ( -13.448 3.883 -1.403) 14.067 10.833 ( -10.156 -7.140 -1.907) 12.560 11.143 ( 6.724 11.794 -10.947) 17.440 11.270 ( 10.636 -3.127 -0.514) 11.098 11.581 ( -0.271 -7.921 -7.117) 10.652 11.785 ( -11.697 -3.584 4.820) 13.149 12.146 ( 17.555 7.190 4.193) 19.428 12.593 ( -7.052 5.439 -8.157) 12.077 13.420 ( 17.973 -6.016 14.935) 24.130 13.456 ( -0.387 -5.140 2.482) 5.721 14.618 ( 9.949 22.677 -10.390) 26.855 15.571 ( 0.919 -25.947 -14.395) 29.687 ======================= Grid point 279 (145/312) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -22.066 6.821 -2.978) 23.287 2.645 ( -12.680 -11.355 -9.876) 19.679 3.005 ( -2.931 30.478 -1.633) 30.662 4.143 ( -1.796 -23.427 -2.065) 23.587 4.708 ( -0.046 6.224 7.156) 9.484 4.761 ( -0.067 14.335 8.229) 16.529 4.955 ( 6.173 5.743 1.946) 8.653 5.222 ( 1.100 -1.815 -2.851) 3.554 5.423 ( 2.118 -3.801 -1.221) 4.520 5.638 ( 3.837 19.637 7.749) 21.456 6.233 ( -11.597 -3.765 9.354) 15.367 6.409 ( 8.231 -11.753 11.096) 18.139 6.854 ( -12.177 5.473 -0.629) 13.365 7.184 ( -7.113 -1.409 13.398) 15.234 7.632 ( -6.173 12.292 -1.350) 13.821 8.234 ( -1.362 -15.589 -4.988) 16.424 8.571 ( 3.680 18.098 6.185) 19.476 8.647 ( 3.606 20.679 2.917) 21.193 9.106 ( 6.209 -2.740 8.470) 10.854 9.460 ( 3.638 -10.158 -3.337) 11.294 9.563 ( -7.533 -6.658 -2.759) 10.425 9.678 ( -8.841 -3.622 3.032) 10.024 9.932 ( 2.889 -4.638 -3.086) 6.275 10.047 ( -7.898 0.872 -4.435) 9.100 10.346 ( 13.050 -0.276 3.046) 13.404 10.576 ( -12.929 -6.944 2.334) 14.860 11.218 ( -5.585 1.206 -9.447) 11.041 11.367 ( 3.525 3.015 -3.051) 5.552 11.585 ( -7.647 -3.210 1.497) 8.428 11.655 ( 7.337 -7.039 -13.833) 17.168 12.447 ( 11.155 4.383 4.467) 12.791 12.533 ( 0.910 3.216 -5.540) 6.470 13.461 ( 2.545 -3.690 0.785) 4.551 13.719 ( 11.208 -2.242 9.514) 14.872 14.820 ( 9.622 18.515 -6.303) 21.797 15.581 ( 0.140 -21.012 -11.942) 24.169 ======================= Grid point 280 (146/312) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -16.591 13.311 0.642) 21.281 2.423 ( -8.484 -15.391 -8.301) 19.436 2.961 ( -1.637 31.401 -0.096) 31.443 4.096 ( -2.425 -24.465 -0.402) 24.588 4.692 ( -0.981 13.661 7.102) 15.428 4.754 ( -0.222 6.251 3.344) 7.093 5.088 ( 5.665 9.743 -1.424) 11.360 5.277 ( 4.744 -4.648 1.911) 6.911 5.470 ( 2.268 -1.019 0.123) 2.489 5.699 ( -0.537 12.979 6.736) 14.633 6.028 ( -4.389 3.252 7.666) 9.413 6.536 ( -6.594 7.813 10.651) 14.764 6.652 ( 1.595 -3.936 12.289) 13.002 7.029 ( -7.736 -3.956 14.199) 16.646 7.544 ( -2.933 12.171 -0.307) 12.523 8.190 ( -2.348 -20.607 -5.866) 21.554 8.622 ( 1.534 19.192 7.949) 20.830 8.715 ( 2.804 23.440 0.122) 23.608 9.246 ( 6.039 -6.606 8.903) 12.625 9.427 ( -5.090 -10.022 3.371) 11.735 9.493 ( -4.807 -8.656 3.773) 10.595 9.596 ( 4.460 -5.838 -8.576) 11.293 9.891 ( -1.851 -0.018 -4.852) 5.193 10.049 ( 1.709 -5.583 -4.624) 7.448 10.323 ( -7.604 -1.586 -0.640) 7.794 10.605 ( 8.447 1.549 0.636) 8.611 11.008 ( -10.652 -4.451 -7.325) 13.673 11.438 ( 0.236 1.405 -4.236) 4.469 11.465 ( -2.502 -1.596 -4.959) 5.779 11.787 ( 4.819 -7.129 -14.871) 17.181 12.555 ( 2.558 2.176 4.018) 5.236 12.609 ( 3.287 -0.624 0.528) 3.387 13.583 ( 9.058 -1.717 -1.769) 9.388 13.845 ( 1.151 -0.890 3.006) 3.340 14.978 ( 5.852 15.585 -2.833) 16.887 15.578 ( -0.336 -15.537 -8.942) 17.930 ======================= Grid point 281 (147/312) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 1.893 0.000 -3.383) 3.876 2.022 ( -1.410 -0.000 -2.606) 2.963 3.535 ( -4.183 0.001 -2.528) 4.888 3.536 ( 3.778 -0.001 -2.387) 4.469 4.799 ( 1.665 0.000 -0.976) 1.930 4.811 ( -1.940 0.000 -0.848) 2.117 5.284 ( 0.806 -0.000 5.035) 5.099 5.293 ( -0.620 0.000 5.556) 5.590 5.549 ( 8.344 0.000 -0.327) 8.350 5.555 ( -8.927 -0.000 -0.225) 8.930 6.412 ( 12.926 0.000 14.175) 19.183 6.425 ( -13.217 -0.000 14.253) 19.438 6.722 ( 12.150 -0.000 16.005) 20.095 6.744 ( -12.711 0.000 16.249) 20.630 7.768 ( -3.637 -0.000 -3.588) 5.109 7.793 ( 2.344 0.000 -3.064) 3.858 8.977 ( -0.769 -0.000 7.988) 8.025 9.014 ( 0.701 0.000 9.561) 9.587 9.156 ( 3.769 0.000 1.463) 4.043 9.180 ( -4.081 0.000 2.214) 4.643 9.456 ( 5.239 -0.000 -1.951) 5.590 9.459 ( -4.225 0.000 -3.065) 5.220 9.906 ( -3.252 0.000 -4.633) 5.660 9.921 ( 3.355 -0.000 -4.627) 5.715 10.451 ( -13.438 0.000 -4.544) 14.186 10.479 ( 13.883 -0.000 -4.351) 14.549 11.116 ( 12.720 0.000 -1.834) 12.852 11.120 ( -12.237 -0.000 -1.528) 12.332 11.665 ( -2.072 0.000 -13.886) 14.039 11.675 ( 2.433 -0.000 -12.905) 13.132 12.601 ( 0.164 -0.000 4.173) 4.176 12.608 ( -0.800 0.000 4.380) 4.452 13.756 ( 7.893 -0.000 -1.292) 7.998 13.760 ( -7.845 0.000 -1.396) 7.968 15.304 ( -0.770 -0.000 -5.410) 5.465 15.323 ( 0.669 0.000 -5.197) 5.240 ======================= Grid point 283 (148/312) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 11.561 0.000 -3.673) 12.131 2.155 ( 12.646 -0.000 -4.613) 13.461 3.476 ( -1.516 0.000 -3.152) 3.498 3.625 ( 4.655 -0.000 -4.442) 6.434 4.781 ( -1.162 0.000 1.226) 1.689 4.840 ( 2.445 0.000 -1.227) 2.735 5.212 ( -7.419 -0.000 7.125) 10.286 5.224 ( -4.207 0.000 1.739) 4.552 5.445 ( -3.672 0.000 -0.109) 3.674 5.788 ( 14.541 0.000 2.859) 14.820 6.164 ( -12.090 -0.000 15.996) 20.051 6.480 ( -11.318 -0.000 16.539) 20.041 6.681 ( 11.394 0.000 7.477) 13.629 6.962 ( 11.309 0.000 15.108) 18.871 7.731 ( -0.034 -0.000 -5.696) 5.696 7.869 ( 5.190 0.000 -1.287) 5.347 8.938 ( -3.644 -0.000 7.209) 8.077 8.989 ( -3.646 0.000 9.707) 10.369 9.110 ( -3.249 0.000 1.476) 3.569 9.271 ( 7.741 0.000 1.383) 7.863 9.360 ( -4.079 -0.000 -5.373) 6.746 9.546 ( 4.498 0.000 0.624) 4.541 9.919 ( 4.550 0.000 -6.068) 7.585 9.976 ( -1.596 -0.000 -4.880) 5.134 10.293 ( 1.589 0.000 -0.914) 1.833 10.660 ( -4.752 0.000 2.968) 5.602 10.979 ( 5.884 0.000 -9.017) 10.766 11.360 ( 11.337 0.000 0.895) 11.372 11.596 ( -4.721 0.000 -8.639) 9.845 11.680 ( -2.493 -0.000 -15.928) 16.122 12.576 ( -2.056 -0.000 -0.574) 2.135 12.579 ( -2.731 0.000 5.348) 6.005 13.572 ( -9.602 0.000 -1.527) 9.723 13.831 ( -1.257 0.000 3.645) 3.856 15.261 ( -2.999 -0.000 -6.778) 7.412 15.292 ( -3.889 0.000 -6.552) 7.619 ======================= Grid point 285 (149/312) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 17.311 0.000 -6.241) 18.401 2.458 ( 16.767 -0.000 -7.009) 18.173 3.476 ( 1.429 0.000 -4.989) 5.190 3.702 ( 2.876 -0.000 -7.615) 8.140 4.754 ( -1.930 0.000 4.431) 4.833 4.891 ( 2.339 0.000 0.598) 2.415 5.026 ( -10.247 0.000 7.095) 12.463 5.166 ( -2.109 -0.000 2.513) 3.280 5.382 ( -2.497 -0.000 -1.920) 3.150 5.985 ( -4.800 0.000 12.052) 12.972 6.061 ( 8.728 -0.000 6.079) 10.636 6.281 ( -5.378 0.000 16.390) 17.250 6.894 ( 9.591 0.000 -1.409) 9.694 7.156 ( 8.011 0.000 13.331) 15.553 7.770 ( 4.048 -0.000 -6.800) 7.914 7.982 ( 5.458 0.000 -1.031) 5.555 8.814 ( -8.656 -0.000 5.449) 10.228 8.883 ( -5.847 -0.000 9.357) 11.034 9.054 ( -2.209 0.000 2.080) 3.035 9.317 ( 0.865 0.000 -1.338) 1.594 9.474 ( 10.818 0.000 -4.785) 11.829 9.656 ( 6.333 -0.000 3.304) 7.143 9.894 ( -3.317 0.000 -2.700) 4.277 10.073 ( 10.746 0.000 -5.197) 11.936 10.380 ( -17.881 0.000 4.613) 18.467 10.472 ( 12.924 0.000 0.146) 12.925 11.233 ( 13.634 0.000 -6.830) 15.249 11.472 ( -7.808 0.000 -3.726) 8.652 11.549 ( -3.714 0.000 -5.175) 6.370 11.578 ( 3.940 -0.000 -6.989) 8.024 12.465 ( -9.488 0.000 3.882) 10.252 12.552 ( 0.629 0.000 -7.092) 7.119 13.433 ( -3.613 0.000 1.882) 4.073 13.691 ( -12.675 0.000 10.290) 16.326 15.176 ( -7.328 -0.000 -9.919) 12.333 15.199 ( -3.127 0.000 -9.280) 9.793 ======================= Grid point 287 (150/312) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 15.401 0.000 -8.375) 17.531 2.787 ( 15.468 -0.000 -8.886) 17.839 3.531 ( 4.107 0.000 -7.739) 8.761 3.739 ( 1.065 -0.000 -10.597) 10.650 4.695 ( -3.981 -0.000 6.800) 7.879 4.809 ( -9.344 0.000 8.781) 12.822 4.950 ( 1.672 0.000 1.163) 2.036 5.113 ( -3.564 -0.000 7.271) 8.097 5.355 ( 0.161 0.000 -2.163) 2.169 5.964 ( -11.016 0.000 11.040) 15.596 6.002 ( 6.053 -0.000 0.880) 6.116 6.389 ( 7.559 -0.000 6.235) 9.799 7.071 ( 8.619 0.000 -3.837) 9.435 7.281 ( 4.611 0.000 11.677) 12.554 7.895 ( 8.560 -0.000 -7.176) 11.170 8.064 ( 2.721 0.000 -0.805) 2.837 8.625 ( -9.342 0.000 6.851) 11.585 8.797 ( -2.615 -0.000 10.587) 10.906 9.020 ( -1.285 0.000 4.141) 4.336 9.369 ( 3.766 0.000 -3.362) 5.048 9.640 ( 1.545 0.000 -4.243) 4.516 9.730 ( -0.334 -0.000 3.197) 3.214 9.942 ( 9.270 0.000 -0.261) 9.274 10.061 ( -9.371 0.000 3.026) 9.847 10.343 ( 16.133 0.000 -1.316) 16.186 10.726 ( 10.491 0.000 -5.137) 11.681 11.256 ( -11.921 0.000 3.393) 12.394 11.326 ( -11.725 -0.000 -10.104) 15.478 11.462 ( 6.843 0.000 -9.823) 11.972 11.769 ( 10.594 -0.000 6.479) 12.418 12.199 ( -16.492 0.000 3.156) 16.791 12.634 ( 7.978 -0.000 -9.056) 12.069 13.353 ( -20.338 -0.000 14.541) 25.001 13.410 ( -0.208 0.000 4.648) 4.653 15.027 ( -6.737 -0.000 -13.853) 15.404 15.131 ( -3.855 0.000 -10.946) 11.605 ======================= Grid point 289 (151/312) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 9.108 0.000 -9.022) 12.820 3.038 ( 8.901 -0.000 -9.327) 12.892 3.629 ( 5.310 0.000 -11.140) 12.341 3.753 ( 0.483 -0.000 -13.049) 13.058 4.613 ( -3.561 -0.000 7.810) 8.583 4.650 ( -6.208 0.000 8.272) 10.342 4.976 ( 0.976 0.000 4.396) 4.503 5.032 ( -4.027 -0.000 8.882) 9.752 5.406 ( 4.987 0.000 1.282) 5.149 5.742 ( -10.764 0.000 9.425) 14.308 6.171 ( 9.507 0.000 -10.043) 13.829 6.450 ( -1.381 0.000 -7.175) 7.307 7.233 ( 6.975 0.000 3.547) 7.825 7.344 ( 1.618 0.000 10.450) 10.575 8.087 ( 8.736 0.000 -5.061) 10.096 8.107 ( 2.277 -0.000 2.418) 3.322 8.493 ( -1.881 0.000 9.472) 9.657 8.758 ( -2.288 -0.000 9.725) 9.990 9.009 ( 0.569 0.000 5.377) 5.407 9.350 ( -13.467 0.000 -6.591) 14.993 9.527 ( 0.632 0.000 9.077) 9.099 9.689 ( -3.095 0.000 3.210) 4.459 10.140 ( 12.209 -0.000 -11.218) 16.580 10.195 ( 14.880 0.000 -0.490) 14.888 10.657 ( 10.396 0.000 3.012) 10.823 10.745 ( -9.921 -0.000 -17.579) 20.185 11.022 ( -6.517 0.000 3.638) 7.463 11.213 ( 0.812 0.000 1.944) 2.107 11.537 ( 1.150 0.000 -10.169) 10.234 11.812 ( -16.318 0.000 1.343) 16.373 12.056 ( 14.091 0.000 12.032) 18.529 12.795 ( -3.651 0.000 8.595) 9.339 12.974 ( -6.245 -0.000 2.696) 6.803 13.363 ( -5.526 0.000 3.799) 6.706 14.938 ( -1.617 -0.000 -15.740) 15.822 15.043 ( -4.770 0.000 -12.322) 13.213 ======================= Grid point 291 (152/312) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -1.315 0.000 -9.072) 9.166 3.118 ( 1.083 -0.000 -8.874) 8.940 3.715 ( 2.754 0.000 -13.627) 13.902 3.743 ( -2.072 -0.000 -13.172) 13.334 4.576 ( -1.065 -0.000 7.996) 8.066 4.586 ( 1.396 0.000 7.940) 8.061 4.978 ( -1.107 -0.000 6.939) 7.027 5.005 ( 2.462 0.000 7.584) 7.973 5.542 ( 8.344 0.000 5.655) 10.079 5.548 ( -8.631 -0.000 6.051) 10.540 6.341 ( 7.044 -0.000 -13.861) 15.548 6.357 ( -7.283 0.000 -13.988) 15.770 7.327 ( 2.408 0.000 8.631) 8.961 7.341 ( -2.155 0.000 8.705) 8.968 8.142 ( -1.898 0.000 3.508) 3.988 8.166 ( 3.221 0.000 3.721) 4.921 8.611 ( 10.303 -0.000 6.020) 11.933 8.652 ( -9.317 0.000 6.206) 11.195 9.069 ( -9.379 -0.000 3.741) 10.097 9.076 ( 7.581 0.000 3.708) 8.440 9.605 ( 4.387 0.000 3.757) 5.776 9.612 ( -4.610 -0.000 4.053) 6.138 10.404 ( 8.588 -0.001 -15.525) 17.742 10.406 ( -7.525 0.001 -14.859) 16.655 10.551 ( -8.297 0.000 -0.829) 8.338 10.565 ( 7.266 -0.000 -1.191) 7.362 11.142 ( -11.462 0.000 7.022) 13.442 11.183 ( 11.734 0.000 6.690) 13.507 11.562 ( 4.638 0.000 -8.113) 9.345 11.568 ( -4.694 -0.000 -8.475) 9.688 12.414 ( -21.695 -0.000 17.510) 27.880 12.423 ( 21.211 0.000 17.576) 27.547 13.164 ( 12.087 -0.000 -1.253) 12.152 13.183 ( -11.942 0.000 -1.287) 12.011 14.955 ( -3.465 -0.001 -14.237) 14.653 14.961 ( 3.440 0.001 -14.440) 14.844 ======================= Grid point 293 (153/312) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -10.409 0.000 -9.316) 13.969 3.047 ( -8.230 0.000 -9.005) 12.199 3.667 ( -5.003 0.000 -9.918) 11.108 3.741 ( 0.456 -0.000 -12.595) 12.604 4.605 ( 3.490 0.000 7.677) 8.433 4.671 ( 6.734 0.000 7.761) 10.275 4.976 ( 0.310 0.000 3.700) 3.713 5.079 ( 4.535 -0.000 8.974) 10.055 5.407 ( -5.248 0.000 1.476) 5.452 5.732 ( 10.613 0.000 9.114) 13.990 6.180 ( -9.905 0.000 -9.880) 13.990 6.431 ( 1.494 0.000 -7.128) 7.283 7.252 ( -6.714 0.000 3.765) 7.698 7.336 ( -1.338 0.000 10.352) 10.438 8.098 ( -1.814 0.000 2.658) 3.218 8.156 ( -6.889 -0.000 -4.498) 8.228 8.513 ( 0.500 0.000 9.211) 9.224 8.753 ( 3.797 -0.000 9.206) 9.959 8.988 ( -0.647 0.000 5.874) 5.910 9.321 ( 12.906 0.000 -6.587) 14.490 9.527 ( -1.601 0.000 9.457) 9.592 9.679 ( 2.973 0.000 2.820) 4.098 10.150 ( -12.030 -0.000 -11.001) 16.302 10.187 ( -15.164 0.000 -0.756) 15.183 10.641 ( -11.900 0.000 2.876) 12.243 10.747 ( 11.520 -0.000 -17.657) 21.083 11.010 ( 7.941 0.000 3.939) 8.864 11.233 ( -2.839 0.000 1.239) 3.097 11.536 ( -1.395 0.000 -10.266) 10.360 11.817 ( 16.059 0.000 2.671) 16.280 12.042 ( -13.444 0.000 11.353) 17.597 12.803 ( 5.115 0.000 9.305) 10.619 12.990 ( 4.596 -0.000 1.754) 4.919 13.348 ( 5.709 0.000 3.733) 6.822 14.930 ( 1.535 -0.000 -15.485) 15.561 15.049 ( 4.912 0.000 -12.417) 13.354 ======================= Grid point 295 (154/312) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -16.249 0.000 -9.030) 18.589 2.808 ( -14.999 -0.000 -8.492) 17.236 3.567 ( -4.525 0.000 -6.207) 7.681 3.744 ( -0.307 -0.000 -9.336) 9.341 4.686 ( 3.881 0.000 6.787) 7.818 4.831 ( 8.450 0.000 8.142) 11.734 4.977 ( -0.016 0.000 0.695) 0.695 5.153 ( 2.189 -0.000 6.377) 6.742 5.354 ( -0.064 -0.000 -2.478) 2.479 5.955 ( 11.330 0.000 11.093) 15.857 6.006 ( -5.933 -0.000 1.639) 6.155 6.376 ( -7.217 -0.000 5.865) 9.300 7.091 ( -8.894 0.000 -3.477) 9.549 7.282 ( -4.065 0.000 11.571) 12.264 7.972 ( -8.840 -0.000 -6.363) 10.892 8.065 ( -2.145 0.000 -0.869) 2.314 8.643 ( 9.796 -0.000 6.837) 11.946 8.809 ( 2.793 -0.000 10.563) 10.926 9.002 ( 1.570 0.000 4.696) 4.951 9.349 ( -4.025 0.000 -5.148) 6.534 9.629 ( 0.174 0.000 -1.055) 1.069 9.716 ( -0.149 0.000 2.463) 2.467 9.929 ( -9.209 0.000 -0.475) 9.221 10.055 ( 7.320 0.000 2.555) 7.754 10.321 ( -15.924 0.000 -2.025) 16.052 10.756 ( -10.285 0.000 -4.695) 11.307 11.245 ( 11.193 0.000 3.987) 11.882 11.309 ( 11.055 0.000 -10.215) 15.052 11.459 ( -6.604 0.000 -10.169) 12.125 11.745 ( -10.495 -0.000 5.661) 11.924 12.221 ( 16.816 0.000 3.535) 17.184 12.652 ( -7.900 -0.000 -9.019) 11.990 13.358 ( 20.258 -0.000 14.244) 24.765 13.397 ( 0.266 0.000 4.501) 4.508 15.017 ( 6.706 -0.000 -13.624) 15.185 15.140 ( 4.134 0.000 -10.897) 11.655 ======================= Grid point 297 (155/312) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -16.991 0.000 -7.171) 18.442 2.483 ( -16.849 -0.000 -6.514) 18.064 3.499 ( -2.120 0.000 -3.595) 4.173 3.714 ( -2.882 -0.000 -6.139) 6.782 4.745 ( 1.994 0.000 4.412) 4.842 4.904 ( -1.442 0.000 1.789) 2.297 5.063 ( 8.715 0.000 5.211) 10.154 5.174 ( 0.667 -0.000 1.186) 1.361 5.381 ( 2.473 -0.000 -2.363) 3.420 5.994 ( 4.786 0.000 12.709) 13.580 6.076 ( -8.156 -0.000 6.466) 10.409 6.259 ( 5.302 0.000 16.338) 17.177 6.908 ( -9.706 0.000 -1.685) 9.851 7.171 ( -7.337 0.000 13.313) 15.201 7.837 ( -4.739 -0.000 -5.772) 7.469 7.991 ( -5.390 0.000 -1.410) 5.571 8.842 ( 9.028 -0.000 6.029) 10.856 8.886 ( 4.748 0.000 9.579) 10.691 9.043 ( 2.491 0.000 2.243) 3.352 9.294 ( -0.636 0.000 -3.217) 3.280 9.482 ( -10.418 0.000 -2.032) 10.614 9.628 ( -6.692 0.000 2.052) 6.999 9.889 ( 3.563 0.000 -2.530) 4.370 10.060 ( -10.028 0.000 -5.977) 11.674 10.352 ( 17.443 0.000 4.842) 18.103 10.496 ( -13.378 0.000 0.782) 13.401 11.213 ( -13.323 0.000 -6.488) 14.819 11.472 ( 7.586 0.000 -3.834) 8.500 11.516 ( 2.041 0.000 -3.717) 4.240 11.572 ( -1.701 -0.000 -9.307) 9.461 12.490 ( 9.386 0.000 3.889) 10.160 12.567 ( -0.929 -0.000 -7.086) 7.147 13.422 ( 3.746 0.000 1.750) 4.135 13.695 ( 12.655 0.000 9.964) 16.107 15.164 ( 7.226 -0.000 -9.804) 12.180 15.214 ( 3.437 0.000 -9.065) 9.695 ======================= Grid point 299 (156/312) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -10.590 0.000 -4.595) 11.544 2.175 ( -12.865 -0.000 -3.986) 13.469 3.487 ( 0.985 0.000 -2.226) 2.434 3.631 ( -5.042 -0.000 -3.591) 6.190 4.773 ( 1.116 0.000 1.156) 1.607 4.857 ( -2.615 0.000 -0.805) 2.736 5.215 ( 3.827 -0.000 0.688) 3.888 5.226 ( 6.592 0.000 6.501) 9.258 5.445 ( 3.669 -0.000 -0.270) 3.679 5.802 ( -14.747 0.000 3.393) 15.133 6.164 ( 11.276 0.000 16.067) 19.628 6.462 ( 11.265 -0.000 16.647) 20.100 6.696 ( -11.351 0.000 6.985) 13.328 6.987 ( -11.128 0.000 15.222) 18.856 7.780 ( -1.069 -0.000 -4.854) 4.970 7.869 ( -6.141 0.000 -1.650) 6.359 8.965 ( 2.330 -0.000 8.932) 9.231 8.970 ( 3.857 0.000 8.779) 9.589 9.097 ( 2.776 0.000 0.965) 2.939 9.294 ( -7.713 0.000 1.439) 7.846 9.341 ( 5.117 0.000 -4.090) 6.551 9.525 ( -3.490 0.000 -0.857) 3.594 9.923 ( -3.663 0.000 -6.314) 7.300 9.968 ( 1.019 -0.000 -4.515) 4.628 10.314 ( -1.252 0.000 -0.745) 1.457 10.624 ( 4.361 0.000 2.784) 5.174 10.968 ( -5.079 0.000 -9.061) 10.388 11.351 ( -10.564 0.000 1.091) 10.620 11.599 ( 5.094 0.000 -7.842) 9.351 11.665 ( 2.667 -0.000 -16.757) 16.968 12.581 ( 1.465 -0.000 -0.797) 1.668 12.597 ( 2.188 0.000 5.343) 5.774 13.565 ( 9.829 0.000 -1.580) 9.955 13.835 ( 1.203 0.000 3.374) 3.582 15.276 ( 3.693 -0.000 -6.610) 7.571 15.280 ( 3.153 0.000 -6.488) 7.213 ======================= Grid point 341 (157/312) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -3.142 0.000 24.922) 25.119 2.262 ( -0.438 0.000 36.544) 36.547 2.912 ( -1.421 0.000 -20.925) 20.973 3.556 ( -1.026 0.000 54.592) 54.602 4.223 ( -0.142 0.000 -7.016) 7.017 4.429 ( 0.590 0.000 10.541) 10.558 5.397 ( 0.576 0.000 -6.531) 6.556 5.401 ( -0.567 0.000 11.402) 11.416 5.478 ( -0.275 0.000 12.393) 12.396 5.689 ( 1.660 0.000 6.025) 6.249 5.802 ( 0.311 0.000 -8.978) 8.983 5.866 ( -0.021 0.000 -3.563) 3.563 6.456 ( 0.079 0.000 -2.375) 2.377 6.734 ( -0.115 0.000 -9.415) 9.416 7.240 ( -1.602 0.000 13.790) 13.882 8.119 ( 1.368 0.000 18.500) 18.551 8.463 ( -0.188 0.000 15.317) 15.318 8.734 ( -0.437 0.000 21.410) 21.415 8.780 ( -1.632 0.000 -25.520) 25.572 9.373 ( 0.190 0.000 -7.779) 7.781 9.690 ( 1.657 0.000 -16.605) 16.688 9.850 ( 0.438 0.000 2.530) 2.567 10.155 ( -0.036 0.000 -2.360) 2.360 10.223 ( -0.074 0.000 -1.662) 1.663 10.300 ( 1.053 0.000 -15.771) 15.806 10.838 ( 0.186 0.000 5.650) 5.653 11.102 ( -0.567 0.000 -13.050) 13.062 11.478 ( -0.446 0.000 13.458) 13.465 11.695 ( 0.176 0.000 -20.816) 20.817 12.224 ( 0.503 0.000 9.472) 9.486 12.505 ( 0.524 0.000 -12.253) 12.264 12.688 ( -0.609 0.000 -4.726) 4.765 13.798 ( 0.905 0.000 -1.078) 1.407 13.901 ( 1.506 0.000 -4.295) 4.552 14.688 ( -0.239 0.000 21.580) 21.581 15.978 ( -0.261 0.000 -11.222) 11.225 ======================= Grid point 342 (158/312) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 27.133 0.000 18.818) 33.020 2.287 ( 2.638 0.000 36.694) 36.789 2.967 ( 6.751 0.000 -19.552) 20.685 3.519 ( -2.512 0.000 54.177) 54.235 4.240 ( 1.839 0.000 -7.479) 7.701 4.466 ( 2.533 0.000 9.203) 9.546 5.166 ( -12.152 0.000 12.539) 17.461 5.367 ( -1.297 0.000 11.336) 11.410 5.453 ( -4.216 0.000 -10.784) 11.579 5.868 ( 4.583 0.000 -10.319) 11.291 5.889 ( 12.025 0.000 -6.840) 13.835 6.127 ( 21.825 0.000 12.109) 24.959 6.392 ( -5.516 0.000 -4.924) 7.395 6.799 ( 6.367 0.000 -6.857) 9.357 7.214 ( -0.588 0.000 14.646) 14.658 8.144 ( 1.093 0.000 18.101) 18.134 8.425 ( -3.567 0.000 13.722) 14.178 8.638 ( -8.480 0.000 19.916) 21.646 8.781 ( 1.392 0.000 -21.963) 22.007 9.461 ( 8.006 0.000 -5.032) 9.456 9.753 ( 4.363 0.000 -15.683) 16.278 9.911 ( 5.385 0.000 2.135) 5.793 9.981 ( -10.657 0.000 -5.310) 11.906 10.239 ( 0.601 0.000 -3.848) 3.895 10.491 ( 12.691 0.000 -13.268) 18.360 10.597 ( -17.912 0.000 -1.041) 17.942 11.267 ( 10.616 0.000 -5.820) 12.107 11.425 ( -4.473 0.000 12.577) 13.348 11.708 ( 0.892 0.000 -18.656) 18.677 12.276 ( 4.630 0.000 9.562) 10.624 12.326 ( -15.141 0.000 -9.565) 17.909 12.681 ( -3.699 0.000 -2.136) 4.271 13.732 ( -7.458 0.000 -2.182) 7.771 13.767 ( -11.240 0.000 -0.240) 11.243 14.644 ( -4.088 0.000 21.933) 22.311 16.112 ( 11.261 0.000 -18.540) 21.692 ======================= Grid point 343 (159/312) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 32.925 0.000 10.681) 34.614 2.360 ( 4.317 0.000 36.888) 37.140 3.156 ( 11.671 0.000 -16.775) 20.435 3.477 ( -1.477 0.000 50.592) 50.613 4.296 ( 3.940 0.000 -8.649) 9.504 4.500 ( 0.076 0.000 6.871) 6.872 4.986 ( -6.312 0.000 16.757) 17.907 5.351 ( -5.773 0.000 -16.817) 17.781 5.403 ( 5.283 0.000 11.493) 12.649 5.933 ( 1.670 0.000 -13.666) 13.768 6.171 ( 16.443 0.000 -8.399) 18.464 6.273 ( -5.526 0.000 -9.103) 10.649 6.534 ( 16.296 0.000 13.478) 21.147 6.980 ( 11.452 0.000 -3.837) 12.078 7.254 ( 5.721 0.000 15.812) 16.815 8.162 ( 0.616 0.000 17.421) 17.432 8.328 ( -6.226 0.000 12.909) 14.332 8.440 ( -10.347 0.000 19.054) 21.682 8.814 ( 1.861 0.000 -18.405) 18.499 9.659 ( 10.820 0.000 -0.171) 10.822 9.784 ( -7.946 0.000 -8.143) 11.378 9.841 ( 2.773 0.000 -8.699) 9.130 10.045 ( 7.426 0.000 1.957) 7.680 10.206 ( -20.374 0.000 -2.413) 20.516 10.242 ( 0.222 0.000 -7.420) 7.423 10.766 ( 14.792 0.000 -14.473) 20.695 11.316 ( -6.282 0.000 11.572) 13.167 11.448 ( 7.168 0.000 -3.252) 7.871 11.722 ( 0.570 0.000 -14.839) 14.849 11.957 ( -21.242 0.000 -0.526) 21.248 12.405 ( 8.159 0.000 9.344) 12.405 12.507 ( -12.503 0.000 1.089) 12.550 13.510 ( -14.447 0.000 -4.812) 15.227 13.593 ( -5.132 0.000 -1.246) 5.281 14.532 ( -7.115 0.000 22.608) 23.701 16.327 ( 9.091 0.000 -27.141) 28.623 ======================= Grid point 344 (160/312) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 4.109 0.000 36.620) 36.850 2.667 ( 27.152 0.000 8.486) 28.447 3.406 ( 13.001 0.000 -14.050) 19.142 3.473 ( 0.823 0.000 41.777) 41.785 4.397 ( 6.177 0.000 -9.609) 11.423 4.456 ( -4.341 0.000 5.682) 7.150 4.893 ( -3.557 0.000 18.624) 18.961 5.226 ( -6.587 0.000 -20.057) 21.111 5.546 ( 7.444 0.000 8.115) 11.013 5.938 ( -1.313 0.000 -18.139) 18.186 6.215 ( 1.283 0.000 -7.480) 7.590 6.519 ( 16.962 0.000 -5.865) 17.947 6.734 ( 5.517 0.000 10.358) 11.735 7.216 ( 10.823 0.000 -3.689) 11.435 7.448 ( 11.698 0.000 16.853) 20.515 8.138 ( -4.642 0.000 14.770) 15.482 8.183 ( -7.802 0.000 11.997) 14.311 8.309 ( 0.211 0.000 20.500) 20.501 8.859 ( 2.929 0.000 -16.705) 16.960 9.648 ( -5.568 0.000 -9.028) 10.607 9.685 ( -18.551 0.000 -1.859) 18.644 9.846 ( -2.685 0.000 -0.832) 2.811 9.954 ( 5.720 0.000 3.910) 6.929 10.222 ( 9.636 0.000 5.792) 11.242 10.273 ( 3.121 0.000 -10.330) 10.791 11.045 ( 9.330 0.000 -7.928) 12.244 11.211 ( -0.411 0.000 1.860) 1.905 11.472 ( -16.876 0.000 0.593) 16.886 11.577 ( -4.225 0.000 6.783) 7.992 11.731 ( 0.318 0.000 -10.072) 10.077 12.259 ( -10.833 0.000 -3.624) 11.423 12.588 ( 9.730 0.000 8.345) 12.819 13.181 ( -17.791 0.000 -8.373) 19.663 13.542 ( -0.806 0.000 -4.518) 4.590 14.372 ( -8.659 0.000 23.782) 25.309 16.457 ( 4.286 0.000 -30.945) 31.240 ======================= Grid point 345 (161/312) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 2.438 0.000 35.952) 36.034 3.108 ( 16.782 0.000 17.936) 24.564 3.497 ( 0.763 0.000 23.325) 23.338 3.653 ( 11.175 0.000 -12.295) 16.615 4.343 ( -6.415 0.000 5.507) 8.455 4.536 ( 7.524 0.000 -8.898) 11.653 4.828 ( -3.407 0.000 16.520) 16.868 5.097 ( -5.835 0.000 -20.127) 20.956 5.658 ( 3.834 0.000 0.830) 3.922 5.875 ( -4.145 0.000 -22.002) 22.389 6.338 ( 8.859 0.000 0.551) 8.876 6.692 ( 0.957 0.000 9.565) 9.612 6.928 ( 13.079 0.000 -3.690) 13.589 7.352 ( 2.059 0.000 -2.334) 3.113 7.616 ( 4.227 0.000 17.736) 18.233 8.037 ( -3.920 0.000 13.565) 14.120 8.065 ( -2.873 0.000 4.958) 5.730 8.452 ( 12.894 0.000 17.465) 21.709 8.934 ( 4.556 0.000 -13.742) 14.477 9.237 ( -23.148 0.000 -0.861) 23.164 9.543 ( -5.624 0.000 -14.847) 15.877 9.773 ( -3.114 0.000 9.888) 10.367 10.103 ( 6.217 0.000 10.976) 12.615 10.342 ( 2.909 0.000 -8.370) 8.861 10.432 ( 10.971 0.000 8.939) 14.151 11.012 ( -4.747 0.000 3.995) 6.204 11.054 ( -20.018 0.000 16.379) 25.865 11.418 ( 13.182 0.000 -13.737) 19.039 11.551 ( -1.906 0.000 -6.999) 7.254 11.729 ( -0.721 0.000 -6.085) 6.128 12.108 ( -4.324 0.000 -6.556) 7.853 12.764 ( 6.222 0.000 3.771) 7.276 12.847 ( -13.524 0.000 -9.394) 16.466 13.539 ( 0.194 0.000 -6.265) 6.268 14.211 ( -6.897 0.000 25.449) 26.367 16.507 ( 1.104 0.000 -32.227) 32.246 ======================= Grid point 346 (162/312) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 0.117 0.000 35.573) 35.573 3.329 ( 4.185 0.000 42.342) 42.549 3.476 ( -2.321 0.000 -5.478) 5.949 3.800 ( 1.727 0.000 -12.592) 12.710 4.250 ( -0.999 0.000 6.398) 6.476 4.662 ( 2.204 0.000 -6.350) 6.722 4.761 ( -1.175 0.000 10.290) 10.357 5.019 ( -1.272 0.000 -16.862) 16.910 5.696 ( -0.735 0.000 -1.656) 1.812 5.821 ( 0.222 0.000 -23.094) 23.095 6.444 ( -0.696 0.000 3.672) 3.737 6.689 ( -0.362 0.000 10.811) 10.817 7.069 ( -1.153 0.000 -2.675) 2.912 7.352 ( 0.387 0.000 0.110) 0.402 7.685 ( 4.781 0.000 16.703) 17.374 7.977 ( -2.912 0.000 13.948) 14.248 8.060 ( 1.263 0.000 -1.881) 2.265 8.691 ( -4.632 0.000 17.125) 17.740 8.893 ( 3.941 0.000 -2.027) 4.432 9.021 ( 3.236 0.000 -10.440) 10.930 9.434 ( -3.810 0.000 -17.733) 18.137 9.755 ( 1.045 0.000 13.771) 13.811 10.173 ( 0.396 0.000 15.597) 15.602 10.355 ( -1.982 0.000 -6.052) 6.368 10.568 ( -4.857 0.000 4.073) 6.339 10.797 ( 2.134 0.000 24.412) 24.505 10.965 ( 0.546 0.000 1.565) 1.658 11.535 ( 1.291 0.000 -12.082) 12.151 11.586 ( 0.090 0.000 -15.611) 15.611 11.698 ( -0.679 0.000 -1.976) 2.090 12.069 ( -0.010 0.000 -6.194) 6.194 12.677 ( 0.046 0.000 -16.565) 16.565 12.845 ( -0.465 0.000 7.789) 7.802 13.542 ( 0.067 0.000 -6.871) 6.871 14.135 ( -0.159 0.000 26.304) 26.305 16.509 ( -0.609 0.000 -32.360) 32.365 ======================= Grid point 347 (163/312) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -2.122 0.000 35.939) 36.002 3.186 ( -16.217 0.000 15.575) 22.485 3.492 ( 1.851 0.000 23.431) 23.504 3.703 ( -9.643 0.000 -12.433) 15.734 4.320 ( 6.086 0.000 5.598) 8.269 4.569 ( -7.368 0.000 -7.575) 10.568 4.821 ( 3.278 0.000 16.277) 16.603 5.060 ( 5.311 0.000 -20.757) 21.426 5.642 ( -3.973 0.000 0.352) 3.989 5.874 ( 3.996 0.000 -21.470) 21.838 6.316 ( -9.633 0.000 1.058) 9.691 6.666 ( -3.768 0.000 6.909) 7.870 6.916 ( -10.936 0.000 0.038) 10.936 7.363 ( -1.608 0.000 -2.794) 3.224 7.769 ( -1.591 0.000 15.569) 15.650 7.925 ( 0.529 0.000 14.810) 14.819 8.109 ( 4.304 0.000 3.946) 5.839 8.413 ( -11.731 0.000 17.471) 21.044 9.023 ( -2.747 0.000 -12.483) 12.781 9.260 ( 22.199 0.000 -0.814) 22.214 9.445 ( 4.897 0.000 -15.977) 16.711 9.797 ( 2.522 0.000 10.693) 10.986 10.116 ( -5.807 0.000 12.192) 13.504 10.277 ( -4.972 0.000 -7.599) 9.081 10.350 ( -11.635 0.000 9.319) 14.907 11.021 ( 3.944 0.000 3.508) 5.279 11.046 ( 17.539 0.000 13.313) 22.019 11.416 ( -12.640 0.000 -13.529) 18.515 11.590 ( 2.881 0.000 -5.076) 5.836 11.721 ( 1.000 0.000 -6.389) 6.467 12.113 ( 5.083 0.000 -6.613) 8.341 12.739 ( -6.781 0.000 4.819) 8.319 12.847 ( 12.411 0.000 -9.538) 15.652 13.539 ( -0.381 0.000 -6.500) 6.511 14.207 ( 6.742 0.000 24.931) 25.826 16.483 ( -1.899 0.000 -31.708) 31.765 ======================= Grid point 348 (164/312) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -3.842 0.000 36.668) 36.869 2.753 ( -26.582 0.000 6.862) 27.454 3.476 ( -12.343 0.000 -14.133) 18.764 3.512 ( 0.370 0.000 39.970) 39.972 4.425 ( -6.684 0.000 -8.738) 11.001 4.430 ( 4.199 0.000 5.616) 7.012 4.876 ( 2.801 0.000 18.708) 18.916 5.196 ( 7.558 0.000 -20.111) 21.484 5.537 ( -6.679 0.000 7.991) 10.414 5.940 ( 1.712 0.000 -18.804) 18.882 6.178 ( -1.839 0.000 -5.816) 6.100 6.448 ( -16.572 0.000 -5.288) 17.395 6.757 ( -6.691 0.000 10.502) 12.452 7.237 ( -10.424 0.000 -4.765) 11.462 7.568 ( -13.816 0.000 15.116) 20.478 8.011 ( 4.211 0.000 17.019) 17.532 8.235 ( 7.419 0.000 11.588) 13.760 8.324 ( 2.665 0.000 19.405) 19.587 8.955 ( -3.294 0.000 -17.511) 17.818 9.582 ( 7.912 0.000 -13.001) 15.219 9.674 ( 15.308 0.000 -0.493) 15.316 9.831 ( 0.429 0.000 3.981) 4.004 9.984 ( -3.442 0.000 5.240) 6.269 10.152 ( -8.273 0.000 4.284) 9.316 10.191 ( -2.988 0.000 -8.673) 9.173 11.004 ( -9.655 0.000 -8.290) 12.726 11.253 ( 0.718 0.000 2.165) 2.281 11.430 ( 18.223 0.000 2.392) 18.379 11.613 ( 1.281 0.000 4.272) 4.460 11.730 ( 0.048 0.000 -10.769) 10.770 12.284 ( 11.705 0.000 -3.342) 12.173 12.553 ( -10.120 0.000 9.466) 13.857 13.158 ( 16.682 0.000 -8.246) 18.609 13.532 ( -0.041 0.000 -5.026) 5.026 14.371 ( 8.816 0.000 23.116) 24.740 16.426 ( -4.067 0.000 -30.077) 30.350 ======================= Grid point 349 (165/312) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -32.501 0.000 9.460) 33.850 2.381 ( -4.500 0.000 36.992) 37.265 3.230 ( -11.954 0.000 -17.068) 20.838 3.526 ( 1.060 0.000 48.422) 48.434 4.313 ( -4.476 0.000 -8.091) 9.246 4.471 ( -0.129 0.000 7.081) 7.082 4.957 ( 6.004 0.000 16.606) 17.658 5.340 ( 6.762 0.000 -16.087) 17.451 5.411 ( -4.553 0.000 11.133) 12.028 5.932 ( -2.063 0.000 -13.665) 13.819 6.112 ( -15.758 0.000 -8.078) 17.708 6.243 ( 6.563 0.000 -8.089) 10.417 6.529 ( -17.291 0.000 13.853) 22.155 7.002 ( -11.804 0.000 -4.997) 12.818 7.350 ( -6.899 0.000 14.081) 15.681 8.061 ( 1.532 0.000 18.628) 18.691 8.364 ( 5.052 0.000 13.105) 14.045 8.466 ( 9.683 0.000 18.655) 21.018 8.898 ( -2.623 0.000 -20.266) 20.435 9.643 ( -10.067 0.000 2.043) 10.272 9.711 ( 2.429 0.000 -12.961) 13.187 9.842 ( 3.823 0.000 -2.912) 4.805 10.006 ( -6.565 0.000 1.053) 6.649 10.168 ( 0.469 0.000 -5.739) 5.758 10.224 ( 19.584 0.000 -2.513) 19.744 10.747 ( -13.700 0.000 -13.834) 19.470 11.340 ( 5.537 0.000 11.193) 12.487 11.464 ( -7.135 0.000 -4.033) 8.196 11.724 ( -0.575 0.000 -15.419) 15.430 11.923 ( 21.548 0.000 0.412) 21.552 12.370 ( -7.777 0.000 10.183) 12.813 12.536 ( 12.201 0.000 0.725) 12.223 13.471 ( 14.186 0.000 -4.501) 14.883 13.561 ( 3.990 0.000 -1.881) 4.411 14.536 ( 7.312 0.000 22.012) 23.194 16.307 ( -7.980 0.000 -26.319) 27.502 ======================= Grid point 350 (166/312) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -29.274 0.000 17.118) 33.912 2.301 ( -3.326 0.000 36.758) 36.908 3.018 ( -8.648 0.000 -19.842) 21.645 3.552 ( 1.053 0.000 52.981) 52.992 4.246 ( -2.210 0.000 -7.299) 7.626 4.444 ( -1.770 0.000 9.512) 9.675 5.142 ( 12.970 0.000 12.706) 18.157 5.382 ( 1.057 0.000 10.954) 11.005 5.456 ( 4.620 0.000 -9.752) 10.791 5.845 ( -11.113 0.000 -7.312) 13.303 5.861 ( -4.598 0.000 -10.154) 11.146 6.120 ( -21.184 0.000 12.385) 24.539 6.382 ( 6.436 0.000 -4.388) 7.790 6.809 ( -7.053 0.000 -7.566) 10.343 7.273 ( -2.027 0.000 13.457) 13.609 8.090 ( 1.404 0.000 18.806) 18.859 8.437 ( 2.459 0.000 13.309) 13.535 8.652 ( 7.784 0.000 19.789) 21.265 8.838 ( -3.368 0.000 -22.691) 22.939 9.454 ( -7.671 0.000 -3.967) 8.636 9.692 ( -1.546 0.000 -15.235) 15.314 9.893 ( -4.420 0.000 1.678) 4.728 9.999 ( 9.732 0.000 -5.165) 11.018 10.192 ( 1.643 0.000 -2.824) 3.267 10.485 ( -12.423 0.000 -13.005) 17.985 10.600 ( 17.374 0.000 -0.778) 17.391 11.279 ( -10.893 0.000 -6.411) 12.640 11.439 ( 3.912 0.000 12.816) 13.399 11.707 ( -0.999 0.000 -19.128) 19.155 12.256 ( -3.696 0.000 9.872) 10.541 12.309 ( 16.099 0.000 -8.948) 18.418 12.700 ( 2.958 0.000 -2.637) 3.963 13.701 ( 8.563 0.000 -1.889) 8.769 13.725 ( 11.912 0.000 -0.166) 11.914 14.650 ( 3.897 0.000 21.563) 21.912 16.113 ( -10.499 0.000 -18.288) 21.088 ======================= Grid point 351 (167/312) ======================= q-point: ( 0.00 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -3.044 5.670 22.858) 23.747 2.264 ( -0.728 1.185 36.144) 36.171 2.840 ( -1.244 -7.231 -19.435) 20.774 3.757 ( -0.698 19.397 47.852) 51.639 4.268 ( 0.156 4.728 -5.807) 7.490 4.506 ( 0.300 7.501 8.826) 11.587 5.366 ( -0.113 -0.568 5.724) 5.753 5.395 ( -1.749 -13.049 -6.115) 14.517 5.420 ( 1.359 0.072 -2.021) 2.437 5.596 ( 2.168 0.394 15.544) 15.700 5.852 ( -0.391 -1.098 -0.167) 1.177 5.900 ( 0.094 5.813 -0.415) 5.829 6.559 ( 0.171 9.673 -0.864) 9.713 6.841 ( -0.248 9.840 -8.607) 13.075 7.258 ( -1.260 2.350 11.398) 11.706 8.165 ( 1.314 4.845 17.953) 18.641 8.342 ( -0.675 -6.916 23.053) 24.077 8.735 ( -1.107 -4.800 -24.683) 25.169 8.998 ( -0.356 20.674 11.534) 23.676 9.386 ( 0.087 1.287 -7.386) 7.498 9.697 ( 1.530 0.634 -16.038) 16.124 9.803 ( 0.349 -4.949 2.114) 5.393 10.127 ( -0.124 -2.969 -2.012) 3.589 10.224 ( -3.058 -0.943 -4.373) 5.419 10.258 ( 3.906 -3.414 -11.844) 12.930 10.827 ( -0.349 -0.970 4.616) 4.730 11.042 ( 0.189 -5.800 -12.679) 13.944 11.410 ( -0.087 -6.583 13.498) 15.018 11.708 ( -0.103 0.819 -19.377) 19.394 12.184 ( 0.350 -5.789 2.407) 6.279 12.495 ( 0.153 0.456 -5.929) 5.949 12.684 ( -0.355 -0.407 -4.101) 4.136 13.786 ( 1.009 -1.116 -0.994) 1.803 13.885 ( 1.298 -1.599 -4.044) 4.538 14.707 ( -0.244 1.983 19.422) 19.525 15.929 ( -0.216 -5.009 -11.054) 12.138 ======================= Grid point 352 (168/312) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 25.363 3.514 17.594) 31.067 2.277 ( 1.725 0.177 36.589) 36.630 2.893 ( 6.470 -7.328 -18.307) 20.754 3.733 ( -1.697 20.356 47.455) 51.665 4.302 ( 2.774 6.307 -7.061) 9.865 4.526 ( 1.628 5.902 8.456) 10.440 5.211 ( -11.060 4.604 10.405) 15.868 5.232 ( -6.368 -11.339 2.364) 13.219 5.463 ( -1.190 -0.308 -1.526) 1.959 5.665 ( 5.598 -11.681 -8.906) 15.719 6.007 ( 8.980 4.794 -5.334) 11.493 6.167 ( 23.268 3.525 12.421) 26.610 6.501 ( -4.852 9.876 -3.029) 11.413 6.895 ( 5.316 9.182 -6.518) 12.452 7.243 ( -0.054 3.158 12.190) 12.593 8.188 ( 0.924 4.619 17.542) 18.164 8.302 ( -3.406 -7.130 23.071) 24.387 8.672 ( -5.170 -2.136 -16.736) 17.646 8.964 ( -2.673 17.954 3.905) 18.567 9.457 ( 6.794 -0.075 -4.504) 8.152 9.754 ( 3.787 -0.246 -14.331) 14.825 9.829 ( -0.802 -7.526 0.125) 7.570 9.978 ( -4.159 -1.084 -4.447) 6.184 10.222 ( -0.856 -1.939 -4.416) 4.898 10.471 ( 13.331 -2.017 -11.103) 17.466 10.600 ( -15.096 0.397 -0.876) 15.126 11.219 ( 9.337 -4.243 -3.695) 10.902 11.386 ( -1.128 -4.457 10.237) 11.222 11.707 ( 0.072 -0.097 -17.703) 17.704 12.162 ( -3.888 -9.658 -2.027) 10.606 12.395 ( -6.861 4.792 0.731) 8.401 12.651 ( -4.918 -2.549 -1.132) 5.654 13.692 ( -8.173 -2.261 -2.076) 8.730 13.823 ( -6.842 3.575 -1.209) 7.813 14.652 ( -5.142 0.880 20.020) 20.689 16.043 ( 9.831 -6.904 -17.375) 21.123 ======================= Grid point 353 (169/312) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 31.856 0.376 9.582) 33.268 2.328 ( 3.088 -1.574 36.935) 37.097 3.078 ( 11.668 -7.607 -15.804) 21.066 3.705 ( -0.941 21.460 44.326) 49.257 4.361 ( 3.153 6.551 -7.853) 10.702 4.550 ( -0.245 4.935 6.455) 8.129 5.043 ( -6.123 5.769 15.501) 17.637 5.168 ( 0.070 -14.078 -2.870) 14.368 5.420 ( -1.500 -1.078 -2.650) 3.230 5.774 ( 4.123 -12.681 -12.055) 17.976 6.189 ( 6.553 3.951 -5.052) 9.169 6.424 ( 1.534 9.839 -9.243) 13.587 6.626 ( 19.577 6.463 12.243) 23.977 7.030 ( 7.555 6.411 -4.262) 10.786 7.286 ( 5.538 3.003 13.998) 15.351 8.196 ( -2.576 0.294 18.000) 18.186 8.215 ( -2.951 -2.967 21.161) 21.571 8.527 ( -9.004 3.224 -1.886) 9.748 8.922 ( -0.950 10.554 -8.513) 13.593 9.628 ( 8.049 -1.936 -1.329) 8.385 9.717 ( -4.599 -7.317 -1.850) 8.838 9.830 ( 2.697 -0.700 -10.363) 10.731 10.051 ( 7.034 0.333 -0.464) 7.057 10.139 ( -9.257 -3.973 -5.042) 11.265 10.332 ( -8.622 5.769 -4.546) 11.327 10.755 ( 14.805 -1.070 -12.433) 19.363 11.228 ( -5.950 -7.112 12.251) 15.365 11.479 ( 7.260 1.576 -5.218) 9.078 11.707 ( -0.197 -1.318 -13.103) 13.171 11.966 ( -14.840 -2.096 -3.985) 15.508 12.301 ( -5.698 -5.876 8.126) 11.534 12.511 ( -4.457 -1.052 4.146) 6.178 13.555 ( -6.031 2.294 -4.467) 7.848 13.636 ( -10.405 5.748 -2.309) 12.110 14.513 ( -8.536 -1.783 21.312) 23.027 16.235 ( 8.314 -9.281 -25.503) 28.384 ======================= Grid point 354 (170/312) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 3.060 -3.420 36.570) 36.857 2.665 ( 27.841 -0.928 4.828) 28.272 3.332 ( 13.352 -7.296 -13.416) 20.286 3.700 ( -0.037 21.554 38.414) 44.048 4.416 ( 0.576 2.355 -4.713) 5.300 4.515 ( -1.012 5.220 2.098) 5.716 4.949 ( -3.654 5.535 16.758) 18.022 5.172 ( -1.503 -5.954 -16.706) 17.799 5.450 ( 4.565 -7.125 6.726) 10.809 5.814 ( 0.055 -11.535 -16.897) 20.459 6.222 ( 0.678 2.474 -4.822) 5.462 6.602 ( 12.636 4.989 -8.570) 16.063 6.891 ( 6.325 13.782 8.764) 17.514 7.199 ( 9.792 -0.928 -2.631) 10.181 7.469 ( 10.914 1.870 14.510) 18.252 8.073 ( -6.542 -4.676 18.048) 19.758 8.205 ( -1.751 3.361 14.414) 14.904 8.372 ( -3.475 4.209 8.624) 10.206 8.935 ( 2.218 6.968 -12.189) 14.215 9.553 ( -8.783 -3.701 -4.912) 10.722 9.766 ( -5.679 -0.380 2.782) 6.335 9.876 ( -3.514 4.589 -7.145) 9.190 9.924 ( 3.130 -2.090 2.117) 4.318 10.201 ( 6.967 -1.599 3.297) 7.872 10.290 ( 2.942 1.485 -8.314) 8.943 11.011 ( 3.893 -3.073 -3.055) 5.825 11.113 ( 1.453 -7.953 3.777) 8.924 11.491 ( -10.646 -0.329 -6.364) 12.408 11.678 ( -8.839 8.687 4.404) 13.152 11.718 ( 1.003 -0.049 -6.969) 7.041 12.135 ( -6.681 -10.439 -2.467) 12.637 12.569 ( 7.531 -2.696 7.945) 11.274 13.305 ( -16.506 11.712 -8.651) 22.010 13.553 ( -0.627 0.908 -4.495) 4.628 14.328 ( -9.783 -4.603 23.054) 25.463 16.356 ( 3.997 -10.392 -29.548) 31.576 ======================= Grid point 355 (171/312) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 2.021 -4.497 35.700) 36.039 3.144 ( 19.808 -0.334 2.873) 20.018 3.580 ( 10.181 -6.034 -10.703) 15.957 3.688 ( -1.360 19.373 30.669) 36.301 4.334 ( -6.240 -0.406 4.043) 7.446 4.579 ( 5.230 3.445 -6.034) 8.697 4.890 ( -2.558 6.170 15.198) 16.601 5.108 ( -3.946 1.189 -20.173) 20.590 5.544 ( 3.743 -9.894 4.567) 11.522 5.785 ( -2.408 -9.198 -20.177) 22.305 6.289 ( 5.225 -2.167 -1.221) 5.787 6.816 ( 7.656 -4.443 -3.416) 9.488 6.942 ( -0.013 14.087 6.703) 15.600 7.364 ( 5.719 1.149 -3.513) 6.809 7.632 ( 4.568 1.667 16.281) 16.991 7.976 ( -2.870 -2.685 11.066) 11.743 8.148 ( -1.907 5.849 8.595) 10.570 8.465 ( 11.564 1.436 12.438) 17.044 8.984 ( 0.804 3.872 -8.394) 9.279 9.285 ( -15.556 5.591 -2.703) 16.750 9.636 ( -4.840 7.195 -9.998) 13.234 9.748 ( -5.108 -1.248 4.564) 6.962 10.098 ( 7.674 -0.179 10.710) 13.177 10.316 ( 4.057 -3.129 -5.222) 7.315 10.402 ( 6.824 -2.699 5.939) 9.441 10.892 ( -7.374 -5.974 12.954) 16.058 11.182 ( -13.421 2.970 2.583) 13.987 11.292 ( 5.519 -5.666 -5.528) 9.650 11.540 ( -4.931 -4.002 -12.447) 13.973 11.754 ( 1.273 2.126 -2.892) 3.808 12.111 ( 3.476 1.675 -6.525) 7.581 12.735 ( 7.719 -3.443 7.740) 11.461 12.975 ( -15.243 12.619 -13.113) 23.739 13.547 ( -0.339 0.629 -5.960) 6.003 14.150 ( -7.320 -6.258 24.958) 26.752 16.402 ( 1.030 -10.794 -31.097) 32.933 ======================= Grid point 356 (172/312) ======================= q-point: (-0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 0.395 -4.636 35.013) 35.321 3.413 ( 3.469 -4.845 -6.090) 8.521 3.597 ( -1.738 21.109 32.160) 38.508 3.739 ( 1.268 -4.162 -7.314) 8.510 4.247 ( -0.630 -0.022 5.722) 5.757 4.658 ( 1.133 -0.289 -4.844) 4.983 4.853 ( -0.460 8.399 11.736) 14.439 5.048 ( -1.212 3.284 -19.466) 19.779 5.582 ( -0.177 -10.021 2.108) 10.242 5.750 ( -0.248 -7.731 -21.026) 22.403 6.354 ( -0.329 -4.814 1.149) 4.960 6.876 ( -3.449 -9.709 0.508) 10.316 6.936 ( 2.399 12.607 5.678) 14.033 7.422 ( 0.110 4.586 -3.096) 5.534 7.705 ( 4.501 2.465 16.826) 17.591 7.936 ( -2.228 -2.155 8.082) 8.656 8.139 ( 0.267 6.473 5.027) 8.200 8.701 ( -2.679 1.000 15.906) 16.161 8.864 ( 2.407 -0.879 -5.833) 6.371 9.164 ( 2.020 11.768 -7.119) 13.901 9.549 ( -2.874 10.831 -16.202) 19.699 9.712 ( 1.056 -4.175 12.341) 13.071 10.185 ( 0.311 1.572 15.517) 15.599 10.335 ( -2.443 -2.303 -5.324) 6.295 10.473 ( -2.073 -8.461 5.711) 10.416 10.805 ( 0.393 1.263 22.767) 22.806 11.031 ( 0.388 3.223 -0.548) 3.293 11.336 ( 0.735 -11.744 -10.574) 15.820 11.505 ( -0.115 -7.225 -13.842) 15.614 11.768 ( 0.320 1.261 -2.722) 3.017 12.175 ( -0.211 9.793 -5.830) 11.399 12.790 ( -0.748 10.111 -14.356) 17.575 12.821 ( 0.214 -1.321 5.601) 5.759 13.542 ( 0.143 -0.307 -6.499) 6.508 14.071 ( -0.182 -6.526 25.751) 26.566 16.404 ( -0.544 -10.813 -31.342) 33.159 ======================= Grid point 357 (173/312) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -1.299 -3.879 35.101) 35.339 3.209 ( -18.608 -1.504 0.148) 18.669 3.617 ( -7.272 -4.533 -7.337) 11.281 3.691 ( 1.400 17.605 28.314) 33.371 4.322 ( 6.479 0.418 4.686) 8.007 4.603 ( -5.327 2.739 -5.416) 8.075 4.879 ( 2.096 5.837 15.022) 16.252 5.072 ( 3.214 1.277 -20.667) 20.954 5.540 ( -3.668 -8.916 4.167) 10.503 5.775 ( 2.041 -9.719 -19.542) 21.920 6.274 ( -5.998 -1.931 -0.724) 6.342 6.765 ( -7.708 -0.813 -2.720) 8.214 6.961 ( -0.647 11.343 6.198) 12.942 7.374 ( -5.035 1.070 -3.758) 6.373 7.779 ( -2.784 1.161 14.559) 14.868 7.895 ( 2.361 -1.837 12.759) 13.105 8.153 ( 1.476 4.473 8.065) 9.339 8.446 ( -10.476 3.088 12.773) 16.805 9.032 ( 1.494 0.603 -9.080) 9.222 9.309 ( 13.701 5.967 -2.791) 15.203 9.575 ( 6.276 10.812 -13.106) 18.113 9.759 ( 2.837 -3.334 7.986) 9.107 10.106 ( -7.576 -0.577 11.710) 13.959 10.244 ( -5.599 -3.402 -3.282) 7.327 10.348 ( -8.033 -0.413 5.000) 9.471 10.902 ( 7.246 -5.586 11.410) 14.625 11.177 ( 12.659 3.712 2.199) 13.374 11.293 ( -7.011 -7.418 -5.759) 11.719 11.555 ( 6.307 -4.062 -11.992) 14.145 11.765 ( -0.892 2.914 -2.513) 3.950 12.111 ( -2.835 1.209 -6.593) 7.277 12.711 ( -8.441 -3.417 8.031) 12.142 12.973 ( 14.443 12.420 -12.549) 22.811 13.547 ( 0.012 0.710 -6.169) 6.210 14.147 ( 7.256 -6.249 24.439) 26.248 16.381 ( -1.727 -10.545 -30.614) 32.426 ======================= Grid point 358 (174/312) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -2.658 -2.343 35.828) 36.003 2.750 ( -26.873 -1.151 3.327) 27.102 3.392 ( -12.805 -8.359 -13.389) 20.325 3.725 ( 0.770 20.670 37.159) 42.529 4.435 ( 2.186 2.378 -1.001) 3.382 4.503 ( -2.409 5.668 -0.756) 6.205 4.928 ( 3.074 5.184 16.832) 17.879 5.138 ( 2.463 -6.255 -16.572) 17.883 5.453 ( -4.177 -6.307 6.312) 9.852 5.797 ( -0.324 -12.283 -16.338) 20.442 6.195 ( -1.048 3.002 -3.909) 5.039 6.560 ( -11.864 7.112 -8.358) 16.162 6.900 ( -6.979 12.824 8.816) 17.056 7.216 ( -9.790 -1.479 -3.538) 10.515 7.582 ( -12.719 1.112 12.286) 17.719 8.019 ( 6.369 0.619 17.714) 18.834 8.192 ( 2.183 -0.650 17.127) 17.278 8.400 ( 5.386 4.809 8.773) 11.363 8.999 ( -2.387 4.121 -14.460) 15.224 9.545 ( 8.902 -0.664 -7.411) 11.602 9.760 ( 4.136 0.092 3.234) 5.251 9.808 ( 2.033 2.670 -3.415) 4.788 9.952 ( -1.254 -2.396 3.271) 4.244 10.143 ( -4.762 -0.714 1.121) 4.944 10.216 ( -3.767 2.263 -5.598) 7.117 10.982 ( -5.888 -1.884 -5.034) 7.973 11.148 ( 0.239 -8.705 5.498) 10.298 11.462 ( 11.890 0.526 -4.582) 12.753 11.694 ( 7.682 5.791 -1.126) 9.686 11.726 ( -2.321 2.086 -4.078) 5.135 12.156 ( 7.535 -10.823 -2.200) 13.370 12.536 ( -7.582 -2.449 8.594) 11.720 13.284 ( 15.492 11.790 -8.156) 21.107 13.540 ( -0.288 0.675 -4.934) 4.988 14.328 ( 10.011 -4.371 22.252) 24.789 16.328 ( -3.771 -10.020 -28.739) 30.668 ======================= Grid point 359 (175/312) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -31.379 0.438 8.473) 32.506 2.365 ( -3.441 -0.466 36.065) 36.232 3.141 ( -11.873 -8.748 -15.850) 21.649 3.737 ( 0.650 20.297 42.732) 47.312 4.377 ( -4.121 6.531 -7.226) 10.576 4.524 ( 0.452 5.201 6.669) 8.469 5.014 ( 5.879 5.689 14.917) 17.013 5.162 ( 1.413 -14.118 -2.872) 14.477 5.426 ( 1.694 -0.955 -2.090) 2.855 5.747 ( -4.760 -13.010 -11.252) 17.848 6.163 ( -6.027 4.645 -4.780) 8.986 6.401 ( -0.326 10.978 -8.763) 14.050 6.621 ( -20.210 6.667 12.382) 24.621 7.044 ( -7.630 5.715 -5.266) 10.891 7.373 ( -7.071 2.057 12.417) 14.437 8.101 ( 2.232 4.079 18.225) 18.809 8.262 ( 4.222 -5.430 21.557) 22.628 8.565 ( 8.980 4.139 0.804) 9.920 8.971 ( -0.148 7.801 -12.865) 15.046 9.623 ( -8.814 -1.065 0.982) 8.933 9.711 ( 4.498 -2.279 -8.480) 9.866 9.764 ( -1.494 -4.783 -3.112) 5.899 10.029 ( -5.573 1.168 -1.817) 5.977 10.123 ( 5.376 -3.329 -5.105) 8.127 10.291 ( 13.206 5.114 -2.562) 14.391 10.739 ( -14.065 -0.699 -12.095) 18.563 11.248 ( 5.273 -7.713 12.021) 15.225 11.478 ( -7.144 0.217 -5.789) 9.198 11.713 ( 0.228 -0.949 -13.198) 13.234 11.945 ( 14.808 -0.804 -2.875) 15.106 12.305 ( 3.500 -4.227 8.581) 10.186 12.504 ( 6.968 -2.630 3.517) 8.236 13.514 ( 5.398 2.246 -4.358) 7.292 13.606 ( 9.699 5.804 -2.447) 11.565 14.520 ( 8.673 -1.568 20.579) 22.387 16.219 ( -7.314 -9.006 -24.732) 27.318 ======================= Grid point 360 (176/312) ======================= q-point: (-0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -27.632 3.346 15.924) 32.067 2.301 ( -2.852 0.977 36.169) 36.294 2.937 ( -8.048 -8.056 -18.359) 21.604 3.755 ( 0.687 19.533 46.537) 50.475 4.302 ( -3.179 5.667 -6.324) 9.068 4.512 ( -0.869 6.584 8.265) 10.602 5.188 ( 11.928 4.527 10.142) 16.298 5.242 ( 6.527 -11.457 2.617) 13.443 5.478 ( 1.478 0.417 -0.972) 1.818 5.625 ( -5.872 -11.990 -8.322) 15.732 5.994 ( -8.404 5.067 -5.652) 11.325 6.168 ( -22.856 3.953 12.451) 26.326 6.491 ( 5.637 9.867 -2.768) 11.695 6.905 ( -5.703 9.493 -7.645) 13.457 7.291 ( -2.279 2.014 11.745) 12.132 8.136 ( 1.493 4.833 18.239) 18.928 8.328 ( 2.024 -6.459 22.555) 23.549 8.705 ( 4.469 -1.606 -14.592) 15.345 8.985 ( 1.136 16.341 0.781) 16.399 9.453 ( -6.550 0.185 -3.436) 7.399 9.699 ( -1.597 0.540 -14.298) 14.397 9.819 ( 0.249 -7.042 0.602) 7.072 9.992 ( 4.889 -1.207 -4.886) 7.017 10.187 ( 2.501 -0.800 -3.538) 4.406 10.462 ( -13.377 -2.291 -11.033) 17.490 10.602 ( 15.568 0.228 -0.578) 15.580 11.223 ( -10.096 -5.104 -4.937) 12.343 11.388 ( 1.277 -5.300 11.131) 12.395 11.712 ( -0.205 0.295 -17.811) 17.815 12.149 ( 4.479 -8.927 -1.598) 10.115 12.390 ( 7.196 5.602 0.935) 9.167 12.661 ( 4.733 -3.202 -1.499) 5.908 13.652 ( 9.466 -2.371 -1.739) 9.912 13.792 ( 7.377 3.930 -1.111) 8.432 14.658 ( 4.897 0.932 19.614) 20.238 16.044 ( -9.191 -6.892 -17.109) 20.608 ======================= Grid point 361 (177/312) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -2.483 8.842 17.395) 19.671 2.347 ( -1.051 8.174 29.633) 30.757 2.657 ( -0.741 -11.420 -16.374) 19.977 4.201 ( -0.341 24.678 33.412) 41.539 4.382 ( 0.513 5.888 -5.367) 7.984 4.688 ( -0.183 10.870 4.611) 11.810 5.062 ( 0.001 -18.720 -4.747) 19.312 5.399 ( 0.218 3.889 3.642) 5.333 5.433 ( 0.503 1.506 -0.017) 1.588 5.636 ( -0.155 1.146 4.676) 4.817 5.843 ( 0.729 1.373 5.760) 5.966 6.057 ( -0.374 11.923 11.851) 16.815 6.770 ( 0.224 11.335 2.693) 11.653 7.039 ( -0.759 9.671 -2.448) 10.005 7.336 ( -0.413 5.158 4.463) 6.834 8.276 ( -0.899 1.210 23.718) 23.766 8.302 ( 1.160 9.566 16.352) 18.980 8.593 ( -0.809 -10.248 -21.539) 23.866 9.392 ( 0.598 18.193 5.182) 18.926 9.421 ( -0.712 2.560 -6.021) 6.581 9.666 ( 0.607 -8.397 0.526) 8.435 9.710 ( 0.556 -0.056 -13.569) 13.581 10.046 ( -1.717 -4.855 -0.229) 5.155 10.137 ( -0.184 -6.538 -11.611) 13.326 10.214 ( 2.193 -3.084 -1.926) 4.246 10.806 ( -2.384 -1.463 1.960) 3.415 10.902 ( 2.779 -8.550 -11.504) 14.600 11.275 ( 0.096 -5.774 10.456) 11.945 11.706 ( -0.178 -1.260 -16.413) 16.462 11.974 ( 0.085 -15.519 -6.281) 16.742 12.551 ( -0.174 4.683 1.710) 4.989 12.675 ( -0.171 -0.511 -2.419) 2.478 13.762 ( 1.146 -1.315 -0.917) 1.971 13.845 ( 0.725 -2.471 -3.350) 4.225 14.764 ( -0.218 4.150 13.841) 14.452 15.799 ( -0.135 -8.311 -10.790) 13.621 ======================= Grid point 362 (178/312) ======================= q-point: ( 0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 21.323 6.505 13.710) 26.172 2.340 ( 0.265 7.241 29.867) 30.733 2.712 ( 6.287 -11.056 -15.679) 20.189 4.194 ( -0.426 25.648 33.586) 42.261 4.449 ( 5.225 7.378 -7.759) 11.914 4.666 ( -1.160 8.276 5.860) 10.206 4.970 ( -7.201 -15.167 -0.854) 16.812 5.331 ( -7.183 7.128 4.920) 11.252 5.462 ( -2.799 1.394 5.857) 6.640 5.493 ( 0.010 -5.049 -3.776) 6.305 6.057 ( 12.853 0.410 -2.755) 13.151 6.285 ( 19.388 9.799 14.100) 25.898 6.704 ( -5.817 10.252 0.733) 11.810 7.086 ( 5.095 9.320 -0.902) 10.660 7.333 ( 0.035 5.695 4.930) 7.533 8.232 ( -3.546 1.078 23.378) 23.670 8.320 ( 0.518 9.222 16.018) 18.490 8.568 ( -1.523 -8.675 -19.151) 21.079 9.309 ( -7.821 15.039 0.452) 16.957 9.479 ( 4.971 3.312 -0.665) 6.010 9.637 ( -3.916 -9.942 -0.103) 10.686 9.756 ( 3.299 -1.304 -12.049) 12.561 9.928 ( 0.770 -4.263 -4.204) 6.036 10.164 ( -3.168 -4.007 -5.272) 7.341 10.416 ( 14.350 -3.361 -6.861) 16.257 10.600 ( -9.843 -1.338 -0.544) 9.948 11.139 ( 10.116 -3.603 -5.235) 11.946 11.269 ( 1.819 -6.690 7.661) 10.332 11.695 ( -0.830 -1.521 -14.815) 14.916 11.918 ( -5.527 -15.463 -6.246) 17.569 12.493 ( -5.091 5.154 3.328) 7.972 12.610 ( -6.723 -1.289 -0.275) 6.851 13.652 ( -6.902 -2.094 -2.558) 7.653 13.879 ( -1.033 2.094 -1.015) 2.545 14.686 ( -7.535 2.953 14.466) 16.576 15.868 ( 6.138 -11.077 -15.122) 19.725 ======================= Grid point 363 (179/312) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 28.172 1.681 6.953) 29.066 2.358 ( 1.459 5.398 29.381) 29.909 2.895 ( 11.722 -10.887 -13.721) 21.076 4.188 ( -0.270 26.881 31.850) 41.678 4.517 ( 0.536 8.033 -8.408) 11.641 4.663 ( -1.212 6.160 5.249) 8.183 4.881 ( 1.689 -14.559 0.870) 14.682 5.195 ( -5.945 9.423 10.601) 15.380 5.381 ( -2.486 -1.781 -1.535) 3.422 5.553 ( 2.251 -8.994 -6.747) 11.467 6.294 ( 7.938 5.939 -0.945) 9.959 6.573 ( 0.468 5.378 -5.951) 8.035 6.713 ( 17.110 3.421 8.905) 19.590 7.215 ( 6.187 10.628 -1.528) 12.393 7.353 ( 3.462 3.840 9.077) 10.446 8.143 ( -5.167 1.541 21.534) 22.198 8.324 ( -0.122 8.641 15.535) 17.777 8.518 ( -4.099 -4.112 -11.089) 12.517 9.128 ( -7.729 8.180 -3.183) 11.695 9.554 ( -1.411 -7.762 0.333) 7.896 9.633 ( 7.643 3.028 -0.253) 8.225 9.805 ( 1.546 -2.255 -7.300) 7.795 10.045 ( 6.522 -1.348 -3.683) 7.611 10.063 ( -4.524 -3.990 -4.190) 7.345 10.413 ( -7.190 1.886 -3.477) 8.206 10.728 ( 14.816 -1.910 -7.199) 16.583 11.106 ( -7.816 -4.285 8.949) 12.631 11.478 ( 10.603 -1.957 -9.639) 14.462 11.676 ( 0.190 -3.321 -7.088) 7.830 11.783 ( -6.238 -13.456 -6.643) 16.251 12.314 ( -14.993 5.641 7.548) 17.708 12.472 ( -3.485 -2.548 3.075) 5.300 13.567 ( -1.359 -0.599 -3.544) 3.843 13.785 ( -8.161 8.198 -2.456) 11.826 14.480 ( -12.701 -1.041 16.478) 20.831 15.995 ( 5.776 -15.422 -21.876) 27.381 ======================= Grid point 364 (180/312) ======================= q-point: ( 0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 1.921 3.540 28.128) 28.415 2.632 ( 25.716 -2.199 1.507) 25.854 3.155 ( 13.755 -10.648 -12.028) 21.149 4.185 ( -0.237 26.702 27.857) 38.589 4.465 ( -5.878 1.129 -2.090) 6.339 4.626 ( -0.027 6.263 2.610) 6.785 5.009 ( 7.360 -6.694 -5.324) 11.284 5.097 ( -3.689 6.744 8.531) 11.483 5.363 ( 0.384 -1.382 2.358) 2.760 5.569 ( -0.462 -12.673 -11.450) 17.086 6.304 ( -3.029 5.309 -1.451) 6.283 6.646 ( 3.825 -0.727 -6.815) 7.849 7.061 ( 15.964 1.010 1.006) 16.028 7.282 ( 2.108 10.674 1.420) 10.972 7.510 ( 10.099 2.422 9.773) 14.261 8.044 ( -4.409 3.242 17.899) 18.717 8.313 ( -1.266 8.107 13.207) 15.548 8.428 ( -2.355 1.253 0.637) 2.743 9.058 ( -0.201 4.065 -5.442) 6.795 9.511 ( -2.850 -1.398 -2.453) 4.012 9.731 ( -3.375 -1.021 0.040) 3.526 9.880 ( 10.276 -0.141 5.363) 11.593 9.957 ( -3.890 0.207 -10.015) 10.746 10.186 ( 3.896 0.454 3.082) 4.988 10.315 ( -1.123 0.460 -7.351) 7.451 10.917 ( -9.688 -6.758 9.789) 15.341 10.999 ( 11.379 -2.868 -6.158) 13.252 11.412 ( -11.351 -6.975 -10.248) 16.809 11.709 ( -1.930 -3.529 -7.059) 8.124 11.855 ( 5.938 7.378 -0.514) 9.485 11.985 ( -9.068 -0.709 6.033) 10.915 12.490 ( 4.975 -4.993 5.080) 8.688 13.552 ( -8.572 4.375 -4.861) 10.782 13.584 ( -4.348 10.731 -7.039) 13.550 14.209 ( -13.705 -7.294 20.207) 25.482 16.080 ( 2.828 -18.098 -26.139) 31.918 ======================= Grid point 365 (181/312) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 1.443 2.604 27.230) 27.392 3.077 ( 17.888 -5.491 -3.763) 19.087 3.410 ( 10.996 -10.604 -11.440) 19.085 4.172 ( -1.280 27.113 26.378) 37.848 4.329 ( -6.635 -0.387 1.908) 6.915 4.649 ( 1.416 4.505 0.822) 4.793 5.025 ( -2.087 6.537 9.482) 11.704 5.131 ( 3.148 -0.278 -18.586) 18.853 5.381 ( 0.943 -4.688 5.520) 7.303 5.548 ( -1.190 -14.110 -10.848) 17.837 6.272 ( 0.151 -0.196 -2.551) 2.563 6.650 ( -2.600 -9.635 -4.416) 10.914 7.241 ( 1.174 12.386 2.076) 12.614 7.391 ( 8.774 2.005 -2.331) 9.297 7.686 ( 6.971 4.248 11.767) 14.321 7.979 ( -2.342 4.037 12.289) 13.146 8.293 ( -0.168 9.673 10.310) 14.138 8.502 ( 9.953 2.133 5.917) 11.774 9.034 ( -4.955 0.764 -2.423) 5.569 9.430 ( -4.422 7.678 -5.095) 10.220 9.641 ( -3.064 -2.733 6.688) 7.847 9.858 ( -5.563 8.107 -14.030) 17.132 10.115 ( 11.091 2.532 9.102) 14.569 10.228 ( 2.800 -5.081 0.536) 5.827 10.327 ( -1.313 -5.752 2.676) 6.479 10.802 ( -0.200 -3.473 9.997) 10.586 11.076 ( -7.848 -5.619 -5.523) 11.121 11.260 ( 1.472 -5.992 -7.607) 9.795 11.541 ( -15.018 6.460 0.703) 16.364 11.725 ( -1.476 -5.277 -2.473) 6.012 12.215 ( 14.668 8.651 -5.374) 17.857 12.642 ( 8.756 -5.957 7.741) 13.118 13.266 ( -14.921 16.051 -13.110) 25.537 13.558 ( -2.808 1.107 -5.170) 5.986 13.983 ( -7.836 -10.874 23.329) 26.906 16.111 ( 0.636 -19.328 -28.176) 34.174 ======================= Grid point 366 (182/312) ======================= q-point: (-0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 0.607 2.334 26.403) 26.513 3.284 ( 1.330 -8.037 -7.363) 10.981 3.540 ( 0.770 -11.175 -11.794) 16.265 4.153 ( -0.018 29.404 28.916) 41.240 4.249 ( -0.106 -0.342 2.229) 2.258 4.668 ( 0.371 2.149 0.510) 2.240 5.000 ( -0.499 5.486 8.897) 10.465 5.152 ( -0.769 6.090 -23.213) 24.011 5.393 ( 0.362 -8.660 3.159) 9.225 5.531 ( -0.467 -13.284 -7.386) 15.207 6.281 ( -0.301 -3.332 -2.172) 3.989 6.606 ( -0.173 -12.893 -3.411) 13.338 7.238 ( -0.223 12.902 3.153) 13.284 7.491 ( 0.247 2.654 -3.257) 4.209 7.802 ( 5.329 8.048 15.215) 18.018 7.928 ( -3.527 2.035 7.295) 8.354 8.294 ( -0.256 9.916 9.569) 13.783 8.734 ( 0.815 2.702 11.609) 11.947 8.858 ( -0.762 -0.865 -7.521) 7.609 9.393 ( 0.741 10.549 -4.691) 11.568 9.617 ( 0.112 -4.587 8.169) 9.370 9.785 ( -0.701 12.078 -14.919) 19.208 10.245 ( -1.145 -1.322 13.242) 13.357 10.249 ( -3.411 -2.754 1.454) 4.619 10.298 ( 2.582 -6.817 4.217) 8.422 10.864 ( 0.185 5.199 18.160) 18.891 10.914 ( -0.671 -12.157 -11.109) 16.482 11.307 ( -2.091 5.284 -0.945) 5.761 11.355 ( 2.578 -7.305 -10.315) 12.900 11.720 ( 0.444 -5.567 -3.466) 6.573 12.397 ( -0.232 12.878 -3.940) 13.469 12.745 ( -0.895 -4.559 9.643) 10.704 13.074 ( 0.037 16.496 -17.663) 24.168 13.512 ( 0.483 -3.543 -3.907) 5.296 13.908 ( -0.334 -9.326 22.645) 24.492 16.111 ( -0.375 -19.553 -28.663) 34.699 ======================= Grid point 367 (183/312) ======================= q-point: (-0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -0.311 2.826 26.367) 26.519 3.123 ( -16.100 -6.455 -4.834) 18.007 3.435 ( -10.164 -11.621 -11.357) 19.166 4.178 ( 1.843 27.475 26.293) 38.073 4.330 ( 7.031 0.129 2.488) 7.459 4.659 ( -1.239 3.862 1.123) 4.208 5.007 ( 1.224 6.272 9.472) 11.426 5.103 ( -4.034 0.848 -18.651) 19.102 5.392 ( -0.754 -4.352 5.022) 6.688 5.534 ( 0.917 -14.249 -10.442) 17.689 6.260 ( -0.664 0.016 -2.003) 2.110 6.642 ( 2.242 -8.606 -4.677) 10.048 7.238 ( -0.616 12.922 2.800) 13.236 7.397 ( -9.047 1.264 -3.240) 9.693 7.808 ( -8.259 1.509 7.836) 11.484 7.923 ( 6.228 6.478 15.124) 17.592 8.279 ( -1.036 8.896 12.119) 15.069 8.511 ( -9.505 3.208 5.494) 11.438 9.035 ( 5.738 -0.608 -3.846) 6.934 9.456 ( 5.417 7.427 -4.287) 10.143 9.641 ( 2.432 -3.616 6.408) 7.749 9.830 ( 4.492 9.865 -14.161) 17.833 10.120 ( -11.057 2.489 8.726) 14.304 10.165 ( -2.642 -4.015 0.770) 4.867 10.313 ( -1.884 -3.909 3.205) 5.394 10.811 ( 1.077 -4.458 10.836) 11.767 11.066 ( 7.747 -6.316 -5.325) 11.326 11.248 ( -1.276 -5.159 -7.369) 9.086 11.557 ( 13.976 5.831 -0.771) 15.163 11.745 ( 2.745 -4.996 -1.846) 5.992 12.207 ( -14.889 8.359 -5.113) 17.824 12.620 ( -9.239 -5.686 7.560) 13.223 13.258 ( 14.246 15.558 -12.407) 24.473 13.564 ( 2.098 1.726 -5.578) 6.205 13.979 ( 8.160 -11.047 22.944) 26.740 16.097 ( -1.079 -18.929 -27.788) 33.640 ======================= Grid point 368 (184/312) ======================= q-point: (-0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -0.957 4.073 27.220) 27.540 2.705 ( -24.767 -3.323 0.108) 24.989 3.188 ( -13.499 -12.157 -11.798) 21.661 4.203 ( 0.430 26.799 26.881) 37.960 4.483 ( 7.319 0.745 -0.649) 7.385 4.625 ( -1.604 7.005 2.026) 7.467 4.978 ( -7.171 -6.918 -6.055) 11.659 5.064 ( 3.513 7.043 8.660) 11.702 5.371 ( -0.751 -1.720 2.699) 3.287 5.556 ( 0.817 -11.748 -10.800) 15.978 6.284 ( 2.658 5.640 -0.765) 6.281 6.634 ( -3.685 0.322 -6.762) 7.708 7.076 ( -16.370 1.630 1.084) 16.487 7.274 ( -1.737 9.773 0.807) 9.959 7.603 ( -11.371 1.212 7.261) 13.546 8.056 ( 6.768 4.911 17.817) 19.682 8.263 ( -0.523 7.856 16.166) 17.981 8.459 ( 3.523 0.757 0.519) 3.640 9.072 ( 0.498 2.503 -7.321) 7.753 9.548 ( 2.835 -1.125 -2.956) 4.248 9.704 ( 2.392 -0.858 0.613) 2.614 9.874 ( -10.347 1.470 2.246) 10.689 9.937 ( 4.103 0.018 -6.435) 7.632 10.144 ( -2.024 1.364 1.952) 3.125 10.258 ( 0.108 1.691 -5.550) 5.803 10.927 ( 8.192 -6.073 7.975) 12.946 10.993 ( -10.272 -4.407 -3.266) 11.645 11.400 ( 11.166 -6.305 -10.226) 16.401 11.721 ( 2.620 -2.247 -7.197) 7.982 11.858 ( -9.463 5.324 -1.187) 10.923 11.995 ( 11.822 -0.755 6.676) 13.598 12.466 ( -4.748 -4.243 4.964) 8.074 13.533 ( 9.198 5.421 -5.096) 11.831 13.562 ( 1.849 9.335 -5.976) 11.237 14.216 ( 14.098 -6.789 18.931) 24.560 16.061 ( -2.589 -17.512 -25.484) 31.029 ======================= Grid point 369 (185/312) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -28.103 0.542 5.759) 28.692 2.410 ( -1.493 5.935 28.484) 29.134 2.930 ( -11.813 -12.554 -13.549) 21.925 4.206 ( -0.041 26.624 30.439) 40.440 4.538 ( -2.613 8.974 -7.633) 12.068 4.641 ( 1.892 6.002 5.435) 8.315 4.869 ( -0.328 -15.473 0.364) 15.481 5.162 ( 6.150 9.448 10.634) 15.497 5.384 ( 2.355 -2.444 -1.786) 3.835 5.546 ( -2.047 -7.015 -5.296) 9.025 6.273 ( -7.312 6.184 -0.530) 9.591 6.572 ( 0.670 6.236 -5.988) 8.672 6.709 ( -18.878 3.277 9.096) 21.210 7.230 ( -4.140 11.984 -3.874) 13.257 7.410 ( -6.416 1.413 9.284) 11.373 8.180 ( 5.349 3.486 19.986) 20.981 8.263 ( 0.467 7.652 17.852) 19.429 8.558 ( 4.086 -4.817 -10.144) 11.950 9.139 ( 7.306 7.247 -5.782) 11.804 9.571 ( -0.931 -6.985 2.129) 7.361 9.651 ( -6.125 3.262 0.113) 6.941 9.744 ( -1.443 -0.587 -8.512) 8.653 10.028 ( -4.264 -1.591 -4.350) 6.296 10.055 ( 3.259 -3.488 -3.364) 5.840 10.373 ( 9.115 2.666 -2.934) 9.940 10.720 ( -14.796 -1.750 -6.948) 16.440 11.109 ( 7.214 -5.491 9.471) 13.111 11.459 ( -10.547 -2.235 -9.326) 14.255 11.678 ( 0.386 -4.713 -6.635) 8.148 11.794 ( 5.468 -11.694 -6.768) 14.576 12.328 ( 15.039 5.862 7.427) 17.768 12.456 ( 4.055 -2.156 2.976) 5.472 13.528 ( 0.659 -0.338 -3.654) 3.728 13.755 ( 8.076 8.275 -1.914) 11.720 14.491 ( 12.603 -0.805 15.550) 20.032 15.985 ( -5.060 -15.001 -21.239) 26.490 ======================= Grid point 370 (186/312) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -23.580 5.306 12.417) 27.172 2.377 ( -1.823 7.677 29.372) 30.414 2.738 ( -7.088 -12.237 -15.525) 21.000 4.205 ( -0.161 25.334 32.591) 41.279 4.437 ( -5.461 7.027 -5.911) 10.683 4.668 ( 1.650 9.178 4.946) 10.556 4.969 ( 7.328 -16.069 -1.452) 17.720 5.310 ( 8.144 7.456 5.576) 12.370 5.461 ( 1.588 -4.119 -2.722) 5.187 5.490 ( 1.172 1.686 5.534) 5.903 6.046 ( -12.687 0.450 -2.773) 12.994 6.288 ( -19.257 9.674 13.772) 25.575 6.695 ( 6.231 10.407 0.842) 12.158 7.112 ( -5.925 10.476 -3.377) 12.500 7.351 ( -1.115 3.954 6.250) 7.479 8.261 ( 2.553 3.041 21.496) 21.860 8.279 ( 0.912 7.787 18.285) 19.895 8.597 ( 0.527 -9.251 -19.138) 21.263 9.311 ( 7.306 14.046 -1.684) 15.922 9.484 ( -4.816 4.248 1.271) 6.547 9.636 ( 2.244 -8.753 -0.577) 9.054 9.722 ( -1.035 -0.857 -11.683) 11.760 9.942 ( 0.121 -4.260 -4.352) 6.091 10.151 ( 3.988 -3.086 -4.959) 7.072 10.401 ( -14.754 -3.871 -6.610) 16.624 10.600 ( 11.214 -1.251 -0.456) 11.292 11.122 ( -11.052 -4.731 -6.285) 13.566 11.263 ( -0.914 -6.668 8.846) 11.115 11.702 ( 0.737 -1.758 -14.832) 14.954 11.918 ( 5.337 -14.960 -5.861) 16.930 12.499 ( 4.802 5.390 3.199) 7.895 12.613 ( 7.034 -1.226 -0.407) 7.151 13.615 ( 8.026 -1.666 -2.303) 8.514 13.855 ( 1.780 2.513 -0.850) 3.194 14.693 ( 7.180 2.941 14.068) 16.066 15.869 ( -5.775 -11.035 -14.848) 19.380 ======================= Grid point 371 (187/312) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -1.391 10.135 10.192) 14.441 2.424 ( -0.157 -12.764 -12.755) 18.045 2.584 ( -1.103 16.572 16.585) 23.472 4.357 ( 0.221 -13.588 -13.516) 19.167 4.602 ( -0.191 15.767 15.731) 22.273 4.761 ( 0.124 -2.784 -2.718) 3.893 4.962 ( -0.006 12.195 12.179) 17.234 5.459 ( 0.637 1.298 1.323) 1.959 5.500 ( -0.103 4.852 4.897) 6.894 5.623 ( -1.075 -1.981 -2.027) 3.031 5.970 ( 1.152 13.606 13.663) 19.317 6.346 ( -0.378 17.387 17.358) 24.571 6.954 ( 0.130 7.157 7.163) 10.127 7.184 ( -0.923 4.824 4.868) 6.916 7.411 ( -0.162 2.776 2.760) 3.918 8.343 ( -0.581 -15.493 -15.490) 21.916 8.426 ( -0.625 14.155 14.209) 20.066 8.528 ( 0.863 14.034 14.017) 19.854 9.448 ( -0.131 -1.275 -1.153) 1.724 9.521 ( 0.006 -4.118 -4.055) 5.779 9.611 ( 0.260 3.028 2.977) 4.254 9.668 ( 0.374 -6.139 -6.290) 8.797 9.983 ( -12.106 -7.417 -6.860) 15.768 10.024 ( 11.983 1.165 0.527) 12.051 10.122 ( 0.038 -5.251 -5.132) 7.343 10.718 ( -3.239 -10.156 -10.336) 14.848 10.775 ( 3.782 -1.346 -1.252) 4.205 11.244 ( 0.351 2.571 2.572) 3.653 11.629 ( 0.103 -15.818 -15.885) 22.418 11.669 ( -0.188 -6.360 -6.319) 8.968 12.636 ( 0.152 3.670 3.653) 5.181 12.669 ( -0.595 -0.012 -0.004) 0.595 13.740 ( 1.176 -0.892 -0.896) 1.727 13.797 ( -0.021 -2.419 -2.427) 3.427 14.867 ( -0.169 6.702 6.705) 9.482 15.622 ( -0.085 -10.189 -10.189) 14.409 ======================= Grid point 372 (188/312) ======================= q-point: ( 0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 17.186 8.369 7.744) 20.624 2.480 ( 4.938 -9.757 -10.366) 15.068 2.573 ( 0.907 13.940 14.098) 19.847 4.392 ( 2.362 -17.436 -17.727) 24.977 4.618 ( 1.671 16.553 16.919) 23.729 4.755 ( 0.143 2.022 1.956) 2.817 4.900 ( -5.555 11.194 11.797) 17.185 5.362 ( -6.105 -1.999 -2.101) 6.759 5.491 ( -1.059 2.371 3.278) 4.182 5.616 ( -3.891 13.289 12.338) 18.546 6.068 ( 12.088 2.669 2.622) 12.654 6.521 ( 13.093 13.823 14.013) 23.640 6.858 ( -8.775 5.179 5.345) 11.507 7.223 ( 4.736 4.766 4.875) 8.301 7.416 ( 0.334 2.986 3.724) 4.785 8.341 ( 0.706 -12.703 -14.337) 19.168 8.386 ( -3.225 12.855 13.786) 19.124 8.538 ( 0.165 13.729 13.724) 19.413 9.425 ( -11.006 -6.243 -0.400) 12.660 9.460 ( 0.244 0.957 -3.548) 3.683 9.638 ( 1.693 5.760 3.959) 7.192 9.691 ( 1.749 -6.273 -4.638) 7.995 9.829 ( 4.371 -5.213 -5.696) 8.872 10.072 ( -4.431 -5.675 -5.521) 9.073 10.360 ( 16.795 -2.878 -2.816) 17.271 10.545 ( -7.830 -2.628 -3.103) 8.823 11.039 ( 15.991 -8.117 -7.596) 19.475 11.216 ( -3.654 2.053 1.554) 4.470 11.596 ( -3.418 -13.224 -13.506) 19.209 11.667 ( 0.104 -5.176 -5.445) 7.514 12.561 ( -6.547 1.126 1.383) 6.785 12.620 ( -5.230 2.655 2.742) 6.475 13.610 ( -6.580 -2.269 -2.015) 7.246 13.901 ( 3.393 0.328 0.607) 3.462 14.773 ( -9.154 6.416 6.502) 12.932 15.638 ( 1.571 -12.858 -12.957) 18.321 ======================= Grid point 373 (189/312) ======================= q-point: ( 0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 23.608 3.561 2.619) 24.018 2.529 ( 0.469 9.946 10.198) 14.253 2.703 ( 11.254 -6.183 -6.730) 14.498 4.400 ( -2.160 -19.814 -20.780) 28.793 4.659 ( 1.626 19.457 20.616) 28.395 4.785 ( -4.236 7.215 9.002) 12.290 4.809 ( 5.298 6.470 5.357) 9.931 5.266 ( -3.555 -1.849 -1.698) 4.352 5.451 ( -3.063 -2.126 0.201) 3.734 5.516 ( -4.763 16.233 13.586) 21.697 6.376 ( 14.755 2.178 2.309) 15.092 6.635 ( -8.591 1.211 1.392) 8.787 6.776 ( 9.051 3.276 3.348) 10.191 7.363 ( 8.984 4.536 4.293) 10.941 7.425 ( 0.942 4.073 5.710) 7.077 8.303 ( -4.345 14.850 12.832) 20.101 8.371 ( 1.230 -10.891 -10.294) 15.037 8.536 ( -0.433 13.452 13.514) 19.073 9.177 ( -9.891 -1.529 0.238) 10.011 9.479 ( 1.048 -0.900 -1.863) 2.320 9.708 ( 3.312 -0.642 -3.984) 5.221 9.743 ( 5.033 -0.890 2.881) 5.867 9.971 ( -4.966 -5.109 -4.703) 8.537 10.013 ( 11.028 -2.336 -2.754) 11.605 10.403 ( -6.722 -2.262 -1.581) 7.267 10.676 ( 14.827 -3.328 -3.772) 15.657 11.074 ( -10.760 -0.905 -1.381) 10.886 11.372 ( 15.899 -10.483 -10.185) 21.597 11.495 ( -6.785 -5.982 -6.705) 11.259 11.694 ( 4.127 -1.082 -1.611) 4.561 12.428 ( -6.638 -1.046 -0.527) 6.740 12.439 ( -11.723 5.761 5.999) 14.373 13.539 ( -0.538 -2.203 -1.911) 2.965 13.900 ( -3.257 3.054 3.356) 5.586 14.513 ( -16.697 5.515 5.622) 18.462 15.672 ( 1.587 -18.086 -18.131) 25.658 ======================= Grid point 374 (190/312) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 1.425 11.755 11.202) 16.300 2.593 ( 21.130 -1.589 -1.186) 21.223 2.959 ( 13.578 -8.859 -9.545) 18.814 4.324 ( -4.691 -14.997 -15.975) 22.408 4.633 ( -3.210 15.010 16.058) 22.214 4.785 ( 2.978 11.614 11.781) 16.809 4.938 ( 6.307 0.119 1.129) 6.408 5.200 ( -3.800 2.190 2.832) 5.221 5.377 ( -4.079 -5.618 -5.432) 8.816 5.451 ( -1.278 10.885 9.854) 14.738 6.389 ( -8.164 2.522 2.576) 8.924 6.586 ( -1.718 -4.698 -4.628) 6.815 7.036 ( 17.252 -2.244 -2.099) 17.523 7.448 ( 0.862 5.430 5.643) 7.879 7.568 ( 10.994 3.936 4.909) 12.668 8.220 ( -3.819 14.113 13.440) 19.859 8.394 ( 2.308 -4.019 -4.974) 6.799 8.525 ( -0.537 13.209 13.423) 18.840 9.074 ( -1.763 -0.905 0.435) 2.029 9.495 ( 0.584 -0.751 -2.470) 2.647 9.717 ( -2.096 -1.754 -1.363) 3.054 9.893 ( -1.068 -4.689 -4.232) 6.406 9.919 ( 10.507 2.436 2.678) 11.113 10.210 ( 7.064 1.719 2.467) 7.677 10.278 ( -5.585 -4.474 -3.508) 7.970 10.831 ( -10.830 -2.313 -3.762) 11.696 10.937 ( 11.106 -4.235 -4.457) 12.694 11.309 ( -12.045 -1.639 -1.589) 12.259 11.555 ( 2.967 -10.223 -10.128) 14.693 11.941 ( 19.985 2.493 1.465) 20.193 12.108 ( -19.137 8.865 9.051) 22.950 12.409 ( 3.476 -2.670 -1.679) 4.694 13.539 ( -1.830 -1.776 -1.634) 3.029 13.812 ( -3.507 4.661 4.752) 7.524 14.127 ( -21.590 3.911 4.048) 22.312 15.691 ( 0.406 -22.208 -22.157) 31.373 ======================= Grid point 375 (191/312) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 0.879 11.331 11.671) 16.291 2.965 ( 14.624 -5.750 -6.047) 16.837 3.207 ( 10.355 -9.889 -10.381) 17.686 4.233 ( -3.914 -10.249 -10.758) 15.365 4.581 ( -1.725 10.798 11.031) 15.533 4.838 ( 1.597 16.804 17.132) 24.050 5.026 ( 2.310 -9.117 -7.974) 12.330 5.115 ( -4.044 3.585 4.131) 6.802 5.306 ( -2.474 -4.909 -5.768) 7.968 5.467 ( 2.005 7.819 7.894) 11.290 6.259 ( -4.365 -1.757 -1.723) 5.011 6.480 ( -6.585 -8.047 -8.063) 13.158 7.342 ( 9.597 0.284 0.380) 9.609 7.463 ( 2.391 4.377 4.616) 6.795 7.781 ( 9.886 5.321 5.405) 12.460 8.151 ( -3.443 13.039 13.230) 18.892 8.514 ( 5.538 8.714 3.095) 10.779 8.523 ( 5.082 3.862 8.657) 10.756 9.017 ( -5.988 -1.342 -0.564) 6.162 9.501 ( 0.021 -0.673 -2.332) 2.428 9.641 ( -4.397 2.410 2.533) 5.618 9.886 ( 0.441 -6.428 -6.216) 8.953 10.167 ( 5.601 -0.829 2.850) 6.339 10.187 ( -0.928 -6.307 -2.338) 6.790 10.225 ( 0.538 6.608 1.002) 6.705 10.779 ( 3.655 1.440 0.261) 3.937 11.040 ( -11.334 0.830 1.017) 11.409 11.118 ( 6.635 -6.493 -6.556) 11.365 11.581 ( 0.588 -7.938 -7.359) 10.840 11.707 ( -20.268 8.289 7.847) 23.261 12.373 ( 21.344 4.621 2.993) 22.042 12.548 ( 9.026 -0.915 0.932) 9.120 13.410 ( -9.462 -2.457 -1.878) 9.954 13.686 ( -21.381 2.162 0.352) 21.493 13.809 ( 1.836 4.859 6.121) 8.028 15.689 ( -0.385 -24.514 -24.445) 34.622 ======================= Grid point 376 (192/312) ======================= q-point: (-0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 0.689 11.121 11.120) 15.741 3.127 ( 0.693 -8.042 -8.050) 11.400 3.322 ( 0.239 -10.771 -10.824) 15.272 4.189 ( 0.116 -7.823 -7.878) 11.102 4.566 ( 0.168 9.508 9.508) 13.447 4.852 ( 0.220 19.861 19.853) 28.083 5.045 ( 0.261 -14.891 -15.052) 21.175 5.070 ( -0.216 2.251 2.388) 3.289 5.280 ( -0.331 -2.399 -2.292) 3.335 5.491 ( -0.371 8.325 8.387) 11.823 6.216 ( -0.132 -3.735 -3.709) 5.265 6.402 ( 0.095 -9.229 -9.192) 13.026 7.398 ( 0.253 4.853 4.824) 6.847 7.529 ( -0.030 1.478 1.512) 2.115 7.930 ( 3.333 4.610 4.324) 7.146 8.086 ( -1.877 13.989 14.276) 20.075 8.514 ( -0.670 12.968 12.874) 18.285 8.783 ( 8.734 -5.733 -5.849) 11.974 8.812 ( -8.434 3.825 3.940) 10.064 9.500 ( 0.147 -0.750 -0.911) 1.189 9.587 ( -0.379 2.784 2.808) 3.972 9.892 ( -0.056 -6.186 -6.361) 8.873 10.106 ( -0.131 0.059 0.314) 0.346 10.160 ( -0.429 -6.112 -5.978) 8.560 10.414 ( 0.346 10.043 9.995) 14.173 10.712 ( -0.644 -8.226 -8.219) 11.646 10.999 ( -0.096 8.231 8.175) 11.601 11.237 ( -1.611 -3.012 -2.978) 4.532 11.415 ( 1.839 3.718 3.669) 5.538 11.590 ( 0.326 -7.072 -7.061) 9.999 12.642 ( -0.910 7.206 7.299) 10.297 12.667 ( -0.099 2.414 2.330) 3.356 13.282 ( -0.245 -3.737 -3.843) 5.366 13.416 ( 0.784 -2.373 -2.238) 3.355 13.830 ( -0.383 6.110 6.074) 8.624 15.682 ( -0.166 -25.142 -25.132) 35.550 ======================= Grid point 377 (193/312) ======================= q-point: (-0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.337 11.258 10.928) 15.693 2.991 ( -13.409 -6.830 -6.522) 16.400 3.214 ( -10.105 -10.543 -10.117) 17.766 4.239 ( 4.425 -9.998 -9.564) 14.526 4.588 ( 1.927 10.131 9.976) 14.348 4.846 ( -1.429 17.044 16.722) 23.920 5.027 ( -2.935 -8.045 -9.315) 12.653 5.109 ( 3.940 5.570 4.956) 8.433 5.300 ( 2.746 -5.878 -4.700) 8.011 5.454 ( -2.500 7.468 7.387) 10.798 6.254 ( 4.202 -1.221 -1.205) 4.538 6.481 ( 6.453 -8.113 -8.083) 13.146 7.363 ( -8.871 0.513 0.406) 8.895 7.450 ( -2.790 4.539 4.360) 6.884 7.852 ( -8.889 3.582 3.284) 10.131 8.137 ( 4.947 14.321 14.232) 20.787 8.492 ( -1.327 13.249 13.594) 19.029 8.538 ( -10.717 -1.185 -0.739) 10.808 9.013 ( 7.025 -0.707 -1.468) 7.212 9.507 ( 0.187 -2.370 -1.002) 2.580 9.629 ( 4.078 2.529 2.424) 5.376 9.882 ( -0.752 -6.070 -6.153) 8.676 10.165 ( 3.186 0.626 -8.553) 9.148 10.180 ( -7.050 -1.048 1.281) 7.242 10.214 ( -2.648 2.066 7.017) 7.779 10.763 ( -3.761 0.807 2.001) 4.336 11.033 ( 10.021 1.600 1.487) 10.256 11.114 ( -5.173 -6.803 -6.897) 10.982 11.593 ( -0.029 -7.574 -8.028) 11.037 11.725 ( 20.176 7.795 8.115) 23.102 12.352 ( -21.792 3.237 4.760) 22.540 12.543 ( -9.231 0.879 -0.863) 9.313 13.402 ( 9.156 -1.807 -2.386) 9.633 13.702 ( 21.531 -0.313 2.078) 21.634 13.794 ( -2.609 6.660 4.813) 8.622 15.682 ( 0.246 -24.120 -24.172) 34.149 ======================= Grid point 378 (194/312) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -1.119 9.847 10.808) 14.664 2.640 ( -19.931 -2.076 -2.728) 20.224 2.968 ( -13.459 -9.456 -8.806) 18.658 4.340 ( 5.187 -15.272 -14.080) 21.410 4.642 ( 3.346 14.589 13.533) 20.179 4.793 ( -3.254 11.851 11.677) 16.952 4.919 ( -7.288 1.224 0.114) 7.391 5.194 ( 3.716 4.477 3.757) 6.926 5.379 ( 4.384 -5.187 -5.128) 8.510 5.436 ( 1.528 9.430 10.224) 13.992 6.379 ( 7.560 3.405 3.337) 8.938 6.584 ( 2.017 -4.796 -4.878) 7.132 7.055 ( -17.797 -2.186 -2.318) 18.080 7.442 ( -0.331 5.775 5.614) 8.061 7.643 ( -11.311 3.627 2.584) 12.156 8.239 ( 5.082 13.320 13.893) 19.906 8.415 ( -2.091 -4.926 -4.243) 6.829 8.476 ( -0.245 14.095 14.283) 20.068 9.090 ( 2.572 0.321 -1.085) 2.810 9.503 ( -0.566 -2.833 -1.030) 3.067 9.703 ( 2.030 -1.199 -1.637) 2.870 9.884 ( 1.736 -4.367 -4.957) 6.831 9.923 ( -11.435 2.438 2.480) 11.952 10.191 ( -7.281 2.848 2.087) 8.092 10.253 ( 5.636 -2.849 -3.799) 7.370 10.817 ( 10.633 -2.948 -1.388) 11.121 10.934 ( -10.914 -4.302 -4.232) 12.471 11.301 ( 11.858 -1.799 -1.880) 12.140 11.574 ( -3.034 -10.505 -10.584) 15.218 11.916 ( -19.810 1.782 2.698) 20.072 12.124 ( 19.023 9.141 8.964) 22.930 12.404 ( -3.265 -1.558 -2.526) 4.412 13.522 ( 1.039 -1.719 -1.868) 2.743 13.787 ( 3.440 5.345 5.233) 8.234 14.143 ( 21.426 3.605 3.488) 22.005 15.684 ( -0.172 -21.648 -21.688) 30.644 ======================= Grid point 379 (195/312) ======================= q-point: (-0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -23.500 1.046 2.208) 23.627 2.578 ( -1.413 6.621 6.557) 9.425 2.718 ( -10.579 -4.025 -3.624) 11.885 4.417 ( 1.639 -20.758 -19.246) 28.354 4.672 ( -1.927 19.799 18.211) 26.970 4.780 ( -4.078 8.684 4.367) 10.541 4.788 ( 3.209 6.020 9.598) 11.775 5.259 ( 3.548 -0.864 -1.028) 3.794 5.456 ( 3.146 0.858 -1.723) 3.688 5.508 ( 5.061 13.496 16.300) 21.758 6.364 ( -13.954 2.805 2.730) 14.493 6.640 ( 8.116 1.158 0.829) 8.240 6.775 ( -9.953 3.520 3.523) 11.130 7.421 ( -7.017 -0.015 7.948) 10.602 7.434 ( -3.664 8.988 -0.265) 9.710 8.335 ( 4.342 12.254 14.098) 19.177 8.396 ( -1.099 -10.291 -10.962) 15.076 8.483 ( 0.853 14.418 14.609) 20.543 9.201 ( 9.829 0.204 -1.681) 9.974 9.486 ( -1.102 -2.312 -1.087) 2.783 9.695 ( -2.432 -4.547 -2.607) 5.779 9.739 ( -6.174 3.624 1.282) 7.273 9.966 ( 5.280 -4.402 -4.992) 8.495 9.998 ( -10.337 -2.847 -2.267) 10.959 10.386 ( 7.419 -1.113 -1.734) 7.700 10.665 ( -15.312 -3.333 -2.811) 15.921 11.059 ( 10.635 -1.199 -0.852) 10.736 11.364 ( -17.243 -9.672 -9.907) 22.113 11.487 ( 7.030 -6.612 -5.994) 11.361 11.694 ( -2.968 -2.332 -1.957) 4.252 12.423 ( 6.806 -0.412 -0.906) 6.879 12.461 ( 11.760 6.089 5.847) 14.476 13.508 ( 0.264 -1.630 -1.936) 2.545 13.877 ( 3.446 3.771 3.469) 6.175 14.524 ( 16.429 5.299 5.192) 18.027 15.670 ( -1.209 -17.709 -17.657) 25.037 ======================= Grid point 380 (196/312) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -18.642 6.393 7.166) 20.970 2.489 ( -5.872 -12.286 -11.616) 17.899 2.608 ( -1.680 15.451 15.319) 21.823 4.392 ( -2.915 -16.745 -16.228) 23.500 4.624 ( -2.052 16.496 15.978) 23.057 4.745 ( 0.755 1.266 1.518) 2.116 4.900 ( 5.472 11.597 10.812) 16.773 5.355 ( 6.086 -1.655 -1.545) 6.494 5.495 ( 0.863 3.149 2.342) 4.018 5.621 ( 4.906 13.458 14.324) 20.257 6.053 ( -12.771 2.201 2.252) 13.154 6.522 ( -12.789 13.836 13.705) 23.298 6.854 ( 8.815 5.526 5.293) 11.673 7.258 ( -6.357 4.169 4.391) 8.779 7.421 ( -0.538 3.819 2.867) 4.805 8.362 ( -1.388 -14.595 -13.300) 19.795 8.408 ( 2.318 13.536 12.956) 18.880 8.505 ( 1.212 14.361 14.385) 20.362 9.438 ( 9.482 -0.046 -6.921) 11.739 9.465 ( -0.055 -4.391 1.328) 4.588 9.633 ( -1.835 3.922 5.474) 6.980 9.680 ( -1.415 -4.139 -5.472) 7.005 9.838 ( -2.349 -5.697 -5.396) 8.191 10.071 ( 4.556 -5.337 -5.386) 8.846 10.337 ( -17.293 -2.573 -2.800) 17.706 10.546 ( 8.808 -3.012 -2.364) 9.605 11.019 ( -16.102 -7.448 -8.135) 19.517 11.204 ( 4.089 1.444 1.954) 4.756 11.593 ( 3.631 -13.033 -12.872) 18.674 11.673 ( -0.262 -5.769 -5.513) 7.984 12.561 ( 6.500 0.839 0.608) 6.582 12.634 ( 4.800 3.190 3.082) 6.535 13.585 ( 7.396 -1.589 -1.854) 7.789 13.886 ( -2.729 0.900 0.613) 2.938 14.779 ( 8.833 6.336 6.251) 12.540 15.640 ( -1.478 -12.808 -12.707) 18.102 ======================= Grid point 381 (197/312) ======================= q-point: ( 0.00 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -0.279 10.927 2.897) 11.308 2.181 ( 0.227 -12.592 -8.624) 15.263 2.964 ( -0.934 23.022 3.104) 23.249 3.943 ( -0.192 -25.906 -13.233) 29.090 4.788 ( 0.174 4.154 4.278) 5.965 4.798 ( -0.251 4.261 4.360) 6.101 5.214 ( 0.229 12.642 8.300) 15.125 5.461 ( 1.221 -0.855 2.378) 2.806 5.555 ( -0.841 0.598 4.310) 4.431 5.578 ( -0.815 -2.362 -2.156) 3.300 6.343 ( 0.713 23.070 18.512) 29.588 6.667 ( -0.424 14.670 17.332) 22.711 7.014 ( 0.231 -1.165 11.861) 11.920 7.179 ( -0.840 -5.184 12.083) 13.175 7.506 ( -0.761 8.062 -0.198) 8.100 8.014 ( -0.334 -17.800 -9.154) 20.019 8.782 ( -0.428 21.502 5.398) 22.173 8.829 ( 0.661 17.373 11.259) 20.713 9.378 ( -0.976 -3.590 4.043) 5.494 9.453 ( -0.894 -11.566 1.187) 11.661 9.503 ( 1.018 -5.493 -5.267) 7.678 9.578 ( 1.195 -5.414 4.605) 7.208 9.817 ( -2.005 -6.720 -7.005) 9.912 9.927 ( 1.477 -8.401 -2.500) 8.888 10.192 ( -0.135 7.580 -6.829) 10.204 10.517 ( 0.536 -10.325 -9.865) 14.290 10.824 ( 0.453 6.922 -6.495) 9.503 11.296 ( 0.394 -16.429 -11.212) 19.895 11.339 ( 0.091 6.354 -3.086) 7.064 11.579 ( -0.008 -5.288 -8.902) 10.354 12.671 ( 1.935 0.630 2.577) 3.283 12.685 ( -2.388 1.023 4.275) 5.003 13.729 ( 1.377 -0.192 -0.909) 1.661 13.757 ( -0.888 -1.688 -1.602) 2.491 15.018 ( -0.146 9.158 -0.095) 9.160 15.419 ( -0.063 -11.013 -8.544) 13.938 ======================= Grid point 382 (198/312) ======================= q-point: ( 0.10 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 13.479 9.313 1.360) 16.440 2.263 ( 7.718 -11.302 -9.102) 16.436 2.945 ( -0.886 23.082 2.475) 23.231 3.945 ( 0.184 -26.515 -14.709) 30.322 4.814 ( 2.311 5.122 5.239) 7.682 4.819 ( 2.270 3.300 4.991) 6.399 5.144 ( -5.591 11.513 6.676) 14.435 5.339 ( -6.803 0.288 2.822) 7.371 5.516 ( -3.537 -0.492 4.681) 5.888 5.794 ( 12.919 3.516 2.940) 13.707 6.257 ( -4.065 17.199 15.648) 23.605 6.762 ( 5.798 10.126 12.478) 17.084 6.872 ( -11.642 -4.126 10.849) 16.439 7.254 ( 6.331 -0.739 10.333) 12.141 7.502 ( 0.458 6.881 0.334) 6.904 8.045 ( 3.334 -15.804 -8.253) 18.138 8.738 ( -3.794 20.791 5.058) 21.731 8.836 ( -0.025 17.354 11.042) 20.569 9.317 ( -7.618 -4.286 3.645) 9.471 9.422 ( -1.038 -7.964 -2.366) 8.372 9.510 ( 1.547 -10.872 -0.447) 10.991 9.668 ( 5.803 -2.276 7.373) 9.655 9.762 ( 3.766 -0.929 -7.681) 8.604 9.953 ( -2.746 -6.464 -6.131) 9.323 10.291 ( 9.802 -3.458 -1.541) 10.508 10.560 ( -0.906 3.058 -8.622) 9.193 10.879 ( 7.637 -7.078 -7.240) 12.682 11.256 ( -2.973 -1.281 -14.421) 14.780 11.415 ( 5.176 -1.641 -2.662) 6.048 11.582 ( 0.837 -4.804 -5.024) 7.002 12.565 ( -8.031 -0.063 -0.324) 8.038 12.671 ( -3.099 2.059 5.308) 6.482 13.571 ( -7.050 -1.603 -0.906) 7.286 13.898 ( 4.927 -0.401 2.296) 5.451 14.930 ( -8.539 9.932 -1.209) 13.153 15.388 ( -2.724 -13.171 -10.507) 17.067 ======================= Grid point 383 (199/312) ======================= q-point: ( 0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 18.844 4.835 -1.976) 19.554 2.464 ( 11.687 -8.570 -9.742) 17.463 2.937 ( 0.283 22.158 0.820) 22.175 3.941 ( -0.638 -26.504 -16.948) 31.466 4.865 ( 1.383 3.187 8.512) 9.193 4.880 ( 3.944 4.683 5.966) 8.549 5.035 ( -4.977 12.776 6.872) 15.337 5.234 ( -2.934 -1.173 2.827) 4.240 5.419 ( -5.764 -1.811 1.871) 6.325 5.879 ( -4.287 19.566 14.384) 24.660 6.372 ( 13.093 -2.791 5.514) 14.478 6.614 ( -12.693 -2.874 9.349) 16.024 6.826 ( 1.533 1.585 -0.533) 2.268 7.399 ( 7.303 0.126 9.117) 11.682 7.538 ( 3.712 7.798 0.101) 8.637 8.129 ( 4.662 -13.215 -5.463) 15.041 8.647 ( -4.919 19.198 4.967) 20.431 8.828 ( -0.812 16.745 11.268) 20.200 9.145 ( -6.770 -1.667 2.424) 7.382 9.424 ( 0.317 -6.958 -1.070) 7.047 9.569 ( 3.900 -8.873 -0.132) 9.694 9.788 ( 7.038 1.585 5.943) 9.347 9.863 ( -1.771 -5.153 -4.213) 6.888 9.980 ( 12.285 -1.086 -3.707) 12.878 10.367 ( -7.754 -0.410 -1.689) 7.946 10.577 ( 8.601 -8.062 -2.647) 12.083 11.024 ( -0.099 -1.945 -11.549) 11.712 11.236 ( 5.088 -3.701 -16.912) 18.045 11.469 ( -1.364 1.710 1.306) 2.548 11.666 ( 9.007 -1.945 2.535) 9.557 12.407 ( -6.030 -0.606 -6.025) 8.546 12.539 ( -10.551 3.843 6.552) 13.001 13.496 ( -0.431 -1.953 0.991) 2.232 13.908 ( -4.408 -1.212 9.242) 10.311 14.696 ( -14.376 13.096 -5.308) 20.158 15.323 ( -3.499 -18.318 -14.775) 23.792 ======================= Grid point 384 (200/312) ======================= q-point: ( 0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 17.428 0.292 -5.120) 18.167 2.686 ( 9.381 -2.048 -8.697) 12.955 2.974 ( 4.240 16.310 -2.883) 17.097 3.921 ( -1.143 -25.221 -18.367) 31.221 4.814 ( -5.574 6.302 10.445) 13.412 4.964 ( 2.332 2.768 5.534) 6.613 4.977 ( -0.365 4.620 9.651) 10.706 5.208 ( -1.259 -0.471 3.972) 4.193 5.331 ( -1.365 0.491 -2.135) 2.581 5.759 ( -6.131 18.885 10.802) 22.604 6.339 ( -10.504 -8.457 1.264) 13.544 6.523 ( -4.939 -1.265 3.535) 6.204 6.994 ( 16.907 -1.780 -3.595) 17.377 7.495 ( 2.369 0.299 9.122) 9.429 7.681 ( 10.271 7.999 0.118) 13.019 8.221 ( 4.706 -10.396 0.133) 11.413 8.558 ( -3.655 16.758 5.321) 17.959 8.808 ( -1.052 15.435 11.945) 19.546 9.073 ( -1.459 0.712 0.789) 1.805 9.425 ( -0.309 -7.950 -0.205) 7.959 9.648 ( 3.674 -4.514 -1.872) 6.114 9.801 ( -3.379 -3.949 -1.941) 5.548 9.967 ( 10.272 1.973 3.844) 11.144 10.156 ( -10.297 -5.837 0.769) 11.861 10.274 ( 14.058 3.978 -0.545) 14.620 10.696 ( 0.211 -10.369 -10.231) 14.569 10.974 ( 1.830 7.255 -8.466) 11.299 11.334 ( -8.557 -1.800 0.765) 8.778 11.376 ( 2.139 -4.074 -6.958) 8.341 11.939 ( 17.468 -2.252 6.580) 18.801 12.254 ( -17.531 5.896 7.718) 20.041 12.405 ( 6.945 1.674 -9.337) 11.756 13.507 ( -1.265 -1.079 2.489) 2.994 13.736 ( -11.536 -7.287 16.820) 21.658 14.394 ( -14.541 19.397 -12.382) 27.221 15.256 ( -3.106 -23.136 -18.467) 29.765 ======================= Grid point 385 (201/312) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 3.105 9.702 -4.633) 11.191 2.877 ( 11.136 -2.975 -7.976) 14.017 3.104 ( 7.236 3.616 -8.547) 11.768 3.901 ( -0.626 -23.311 -18.854) 29.988 4.711 ( -3.997 5.256 8.471) 10.740 4.886 ( -5.196 -4.897 6.338) 9.547 5.048 ( 3.493 3.372 8.460) 9.754 5.161 ( -3.311 0.533 6.376) 7.205 5.369 ( 3.512 9.194 0.185) 9.844 5.672 ( -2.299 13.256 5.712) 14.616 6.179 ( -4.965 -7.320 -2.416) 9.169 6.354 ( -9.425 -4.631 -7.821) 13.094 7.325 ( 13.103 -1.312 3.208) 13.553 7.526 ( 1.129 2.132 8.890) 9.211 7.901 ( 10.650 7.761 1.552) 13.269 8.309 ( 2.929 -3.699 8.612) 9.819 8.532 ( 2.635 8.548 1.788) 9.122 8.789 ( -1.037 13.547 12.196) 18.257 9.025 ( -4.826 2.305 -2.283) 5.815 9.410 ( -1.162 -8.841 2.160) 9.175 9.693 ( -0.206 1.516 -1.888) 2.430 9.725 ( -2.785 -6.716 1.853) 7.503 10.019 ( -1.922 -7.102 -3.989) 8.369 10.182 ( 7.641 -0.961 -5.521) 9.476 10.376 ( -0.186 7.808 -3.472) 8.547 10.798 ( 7.015 -2.004 0.121) 7.296 11.059 ( 2.144 4.066 -4.788) 6.638 11.100 ( -3.787 2.419 3.980) 6.003 11.425 ( 1.135 -7.955 -9.614) 12.530 11.846 ( -21.700 5.584 7.381) 23.591 12.336 ( 20.213 -4.062 11.689) 23.700 12.655 ( 16.299 7.629 -6.744) 19.218 13.305 ( -17.540 -6.528 10.469) 21.445 13.527 ( -11.174 -8.381 8.990) 16.611 14.188 ( -4.968 24.107 -14.832) 28.737 15.201 ( -2.221 -26.358 -20.633) 33.547 ======================= Grid point 386 (202/312) ======================= q-point: (-0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 0.519 13.150 -4.101) 13.785 2.997 ( 0.164 -5.165 -8.725) 10.140 3.189 ( 0.167 -0.081 -10.205) 10.207 3.898 ( 0.417 -22.033 -18.558) 28.810 4.669 ( -0.098 4.014 7.343) 8.369 4.827 ( 0.236 -6.760 4.486) 8.116 5.092 ( -2.840 1.259 5.714) 6.504 5.118 ( 3.450 2.494 11.005) 11.800 5.413 ( 0.158 16.681 -0.467) 16.688 5.652 ( -0.662 6.601 8.354) 10.667 6.142 ( 0.310 -3.681 -5.329) 6.484 6.234 ( -0.213 -8.542 -12.406) 15.064 7.461 ( 0.881 2.472 7.731) 8.164 7.539 ( -0.630 -0.683 7.279) 7.338 8.043 ( 1.767 7.920 1.661) 8.283 8.319 ( -0.159 5.941 13.394) 14.653 8.645 ( 1.586 -3.273 -5.512) 6.604 8.749 ( -1.870 8.456 13.335) 15.901 8.923 ( -0.274 8.002 0.143) 8.008 9.391 ( -0.347 -9.817 4.752) 10.912 9.667 ( -0.328 3.087 -1.560) 3.474 9.711 ( -0.033 -7.528 3.197) 8.178 10.041 ( 0.668 -2.863 -9.671) 10.108 10.159 ( -0.350 -0.636 -15.576) 15.593 10.576 ( -2.662 5.377 5.478) 8.124 10.614 ( 2.276 -1.838 1.766) 3.417 11.117 ( 0.129 4.616 -6.557) 8.020 11.302 ( -4.362 8.722 7.718) 12.437 11.383 ( 3.970 -6.700 2.185) 8.088 11.516 ( 0.617 -1.019 -5.819) 5.939 12.625 ( -1.159 1.486 15.030) 15.147 12.906 ( 0.061 12.990 -1.806) 13.115 13.025 ( 1.077 -16.613 13.417) 21.382 13.333 ( -0.631 -7.999 -2.628) 8.443 14.154 ( -0.015 23.788 -11.774) 26.542 15.176 ( 0.005 -27.615 -21.408) 34.941 ======================= Grid point 387 (203/312) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -4.131 6.786 -5.258) 9.527 2.888 ( -9.825 -2.863 -8.001) 12.990 3.115 ( -6.119 5.223 -8.141) 11.445 3.916 ( 1.325 -22.782 -17.904) 29.006 4.710 ( 3.978 5.008 8.327) 10.499 4.894 ( 5.270 -5.060 5.356) 9.059 5.040 ( -2.592 2.800 7.127) 8.085 5.186 ( 2.726 0.650 5.491) 6.165 5.374 ( -3.434 10.518 1.589) 11.178 5.653 ( 2.053 13.517 5.855) 14.873 6.187 ( 5.173 -6.807 -1.973) 8.774 6.348 ( 9.163 -5.081 -7.651) 12.974 7.345 ( -12.886 -1.419 2.960) 13.298 7.517 ( -0.861 2.218 9.033) 9.341 7.955 ( -8.939 7.451 0.570) 11.651 8.314 ( -2.533 -2.923 9.069) 9.860 8.537 ( -3.112 8.180 0.956) 8.804 8.766 ( 0.613 13.945 13.321) 19.295 9.030 ( 5.976 1.983 -3.709) 7.308 9.395 ( 0.496 -9.394 3.698) 10.108 9.682 ( 0.645 1.901 -1.633) 2.588 9.727 ( 2.291 -6.745 2.132) 7.436 10.024 ( 1.367 -7.019 -4.463) 8.430 10.179 ( -8.200 -1.707 -6.467) 10.582 10.367 ( 1.013 8.432 -3.261) 9.098 10.785 ( -8.105 -1.723 0.783) 8.323 11.065 ( -3.246 4.137 -5.840) 7.858 11.088 ( 5.455 2.706 5.280) 8.060 11.434 ( -1.038 -8.408 -9.896) 13.027 11.864 ( 21.843 5.697 7.549) 23.803 12.311 ( -20.790 -3.649 11.873) 24.218 12.665 ( -16.142 7.819 -7.094) 19.288 13.307 ( 16.708 -6.224 9.635) 20.266 13.517 ( 11.198 -8.959 9.655) 17.288 14.188 ( 5.130 24.190 -14.736) 28.786 15.200 ( 2.325 -26.090 -20.453) 33.233 ======================= Grid point 388 (204/312) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -16.803 -1.968 -5.170) 17.690 2.693 ( -10.888 -3.672 -9.076) 14.643 3.018 ( -2.747 17.803 -2.655) 18.208 3.944 ( 1.409 -24.490 -17.045) 29.871 4.812 ( 5.407 5.729 10.286) 12.956 4.960 ( -1.329 2.865 5.071) 5.974 4.990 ( -0.667 5.400 7.342) 9.138 5.220 ( 0.477 -0.640 3.672) 3.757 5.333 ( 1.312 0.409 -2.390) 2.757 5.749 ( 6.785 20.022 12.141) 24.378 6.350 ( 10.769 -7.904 1.865) 13.487 6.509 ( 4.517 -1.697 3.240) 5.813 7.015 ( -17.204 -1.611 -3.752) 17.682 7.493 ( -2.042 0.406 9.078) 9.314 7.754 ( -10.015 7.805 -1.290) 12.762 8.227 ( -4.664 -10.525 0.401) 11.519 8.569 ( 4.150 16.461 5.407) 17.817 8.778 ( 0.779 16.788 12.591) 20.999 9.102 ( 2.514 0.083 -1.485) 2.921 9.404 ( 0.350 -8.806 1.920) 9.020 9.649 ( -3.381 -3.258 -1.859) 5.050 9.794 ( 3.194 -4.292 -1.738) 5.625 9.958 ( -10.363 1.109 3.387) 10.958 10.146 ( 9.636 -5.609 1.134) 11.208 10.264 ( -14.625 3.649 -0.503) 15.081 10.707 ( 2.186 -9.241 -10.707) 14.311 10.953 ( -3.527 7.491 -7.399) 11.104 11.331 ( 10.685 1.515 4.623) 11.740 11.378 ( -4.938 -8.083 -10.898) 14.439 11.907 ( -17.445 -2.213 7.006) 18.929 12.275 ( 17.617 6.062 7.678) 20.151 12.416 ( -6.828 2.129 -9.906) 12.219 13.492 ( 0.770 -0.985 2.330) 2.645 13.729 ( 11.406 -6.701 16.494) 21.144 14.398 ( 14.788 19.082 -12.126) 27.015 15.257 ( 3.312 -22.756 -18.150) 29.296 ======================= Grid point 389 (205/312) ======================= q-point: (-0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -18.581 2.242 -2.035) 18.826 2.455 ( -11.870 -8.807 -9.516) 17.579 2.990 ( -0.677 21.848 0.702) 21.870 3.962 ( 0.278 -25.724 -15.815) 30.198 4.856 ( -1.646 3.070 8.441) 9.132 4.890 ( -3.837 5.195 5.238) 8.315 5.033 ( 4.657 12.936 5.268) 14.723 5.233 ( 2.596 -1.147 3.186) 4.267 5.422 ( 5.703 -2.486 1.325) 6.361 5.883 ( 5.133 20.768 15.723) 26.549 6.373 ( -14.042 -1.925 5.480) 15.195 6.614 ( 13.178 -3.589 9.255) 16.498 6.828 ( -2.206 1.825 -0.985) 3.027 7.414 ( -6.212 -0.571 9.613) 11.460 7.597 ( -5.242 8.738 -1.930) 10.371 8.139 ( -4.388 -13.588 -5.361) 15.252 8.663 ( 4.879 18.685 5.198) 19.999 8.797 ( 0.966 17.913 11.847) 21.498 9.190 ( 7.260 -1.922 0.181) 7.512 9.408 ( 0.066 -7.933 0.588) 7.955 9.568 ( -4.394 -6.925 0.267) 8.206 9.771 ( -6.534 -0.787 5.618) 8.653 9.866 ( 1.323 -4.499 -3.758) 6.009 9.959 ( -11.932 -1.330 -4.111) 12.690 10.360 ( 8.787 -0.230 -0.720) 8.819 10.583 ( -10.721 -6.623 -2.393) 12.827 11.011 ( 1.610 -1.847 -11.232) 11.496 11.220 ( -6.638 -4.133 -16.627) 18.373 11.460 ( 1.536 1.741 0.920) 2.498 11.647 ( -7.968 -2.757 2.715) 8.858 12.415 ( 5.749 -0.144 -6.397) 8.602 12.561 ( 10.425 3.839 6.289) 12.766 13.476 ( 0.510 -1.415 0.974) 1.792 13.899 ( 4.396 -0.575 8.921) 9.962 14.702 ( 14.426 12.849 -5.272) 20.026 15.327 ( 3.595 -18.080 -14.450) 23.423 ======================= Grid point 390 (206/312) ======================= q-point: (-0.10 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -13.658 7.543 1.242) 15.652 2.256 ( -7.430 -11.527 -8.887) 16.342 2.979 ( -0.563 22.637 2.524) 22.784 3.955 ( -0.738 -25.891 -14.034) 29.459 4.808 ( -2.137 3.931 5.384) 7.001 4.826 ( -2.470 5.063 4.493) 7.206 5.138 ( 5.541 10.749 5.511) 13.290 5.333 ( 6.557 0.516 3.477) 7.439 5.518 ( 3.506 -0.903 4.202) 5.546 5.813 ( -13.101 3.677 3.038) 13.942 6.241 ( 4.059 17.974 16.264) 24.578 6.764 ( -5.333 10.201 12.233) 16.798 6.872 ( 11.258 -4.313 10.592) 16.048 7.274 ( -6.816 -0.978 10.393) 12.467 7.532 ( -1.898 7.941 -0.799) 8.203 8.055 ( -3.568 -16.259 -8.254) 18.580 8.750 ( 3.449 20.628 5.136) 21.536 8.814 ( 0.717 17.754 11.581) 21.209 9.362 ( 6.040 -3.890 2.974) 7.775 9.421 ( 3.321 -6.980 -4.380) 8.885 9.491 ( -2.962 -11.401 1.856) 11.925 9.645 ( -6.481 -3.815 7.530) 10.643 9.768 ( -1.724 -1.124 -7.923) 8.185 9.952 ( 2.354 -6.581 -5.578) 8.942 10.294 ( -10.347 -1.835 -2.078) 10.712 10.544 ( 1.535 2.187 -7.265) 7.741 10.869 ( -7.699 -6.843 -7.213) 12.575 11.242 ( 3.752 -0.619 -14.935) 15.412 11.409 ( -4.855 -2.325 -2.229) 5.827 11.581 ( -0.451 -5.061 -5.018) 7.141 12.565 ( 7.542 -0.013 -0.691) 7.574 12.689 ( 2.755 2.049 5.220) 6.248 13.558 ( 7.517 -1.092 -0.860) 7.645 13.894 ( -4.622 0.023 2.130) 5.090 14.935 ( 8.371 9.898 -1.292) 13.028 15.391 ( 2.640 -13.158 -10.322) 16.930 ======================= Grid point 391 (207/312) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 1.428 0.000 -3.483) 3.764 1.963 ( -0.904 -0.000 -3.453) 3.569 3.439 ( -3.002 0.001 -6.938) 7.559 3.439 ( 1.837 -0.001 -7.125) 7.358 4.827 ( 0.225 0.000 3.506) 3.513 4.838 ( -0.483 0.000 3.311) 3.346 5.394 ( 7.146 -0.000 5.260) 8.873 5.414 ( -6.311 0.000 5.644) 8.466 5.548 ( 5.691 0.000 0.987) 5.776 5.551 ( -6.367 -0.000 0.652) 6.401 6.721 ( 7.323 0.000 17.228) 18.719 6.730 ( -7.463 -0.000 16.916) 18.490 7.026 ( 11.474 -0.000 15.198) 19.043 7.044 ( -11.950 0.000 14.655) 18.910 7.696 ( -5.657 -0.000 -4.014) 6.936 7.724 ( 4.438 0.000 -4.204) 6.113 9.135 ( -2.102 -0.000 8.619) 8.872 9.176 ( 1.837 0.000 2.910) 3.441 9.192 ( -2.076 -0.000 0.040) 2.076 9.199 ( 2.596 0.000 7.450) 7.889 9.449 ( -6.444 0.000 2.381) 6.870 9.480 ( 6.660 0.000 3.829) 7.682 9.797 ( -5.010 0.000 -6.729) 8.389 9.810 ( 4.861 -0.000 -6.973) 8.500 10.326 ( -11.138 0.000 -8.632) 14.092 10.352 ( 11.436 -0.000 -9.236) 14.700 11.016 ( 12.275 -0.000 -9.375) 15.445 11.019 ( -11.903 0.000 -10.052) 15.580 11.454 ( 1.374 0.000 -6.332) 6.479 11.476 ( -0.940 -0.000 -6.565) 6.632 12.680 ( 3.380 0.000 4.028) 5.258 12.690 ( -3.816 0.000 4.131) 5.624 13.733 ( 9.892 -0.000 -1.067) 9.949 13.736 ( -9.676 0.000 -1.124) 9.741 15.199 ( -0.659 -0.000 -5.206) 5.247 15.220 ( 0.460 0.000 -5.357) 5.376 ======================= Grid point 393 (208/312) ======================= q-point: ( 0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 9.815 0.000 -3.837) 10.539 2.060 ( 10.629 -0.000 -4.999) 11.746 3.385 ( -2.230 0.000 -6.144) 6.536 3.472 ( 1.260 -0.000 -10.088) 10.167 4.855 ( 1.933 -0.000 5.206) 5.554 4.855 ( 2.495 0.000 2.802) 3.752 5.249 ( -6.381 -0.000 0.595) 6.409 5.382 ( -6.047 0.000 9.881) 11.584 5.484 ( -3.815 0.000 4.100) 5.600 5.814 ( 18.046 0.000 -0.040) 18.046 6.527 ( -12.084 0.000 21.056) 24.277 6.741 ( -8.102 0.000 9.074) 12.165 6.874 ( -2.128 0.000 13.496) 13.663 7.241 ( 9.497 0.000 13.178) 16.244 7.622 ( -1.299 -0.000 -5.602) 5.751 7.834 ( 6.283 0.000 -2.422) 6.733 9.058 ( -6.268 -0.000 5.133) 8.102 9.150 ( -1.468 -0.000 3.750) 4.027 9.174 ( -4.791 0.000 5.696) 7.443 9.229 ( 1.303 0.000 2.093) 2.466 9.364 ( 1.039 0.000 2.471) 2.681 9.628 ( 7.908 0.000 7.229) 10.714 9.781 ( 4.285 0.000 -8.405) 9.434 9.868 ( -0.918 -0.000 -6.497) 6.562 10.257 ( 5.268 0.000 -2.799) 5.966 10.595 ( 5.160 0.000 -10.201) 11.431 10.811 ( -2.525 0.000 -7.923) 8.315 11.214 ( 5.584 0.000 -18.699) 19.515 11.480 ( 3.064 -0.000 -1.468) 3.397 11.485 ( 1.561 0.000 -2.591) 3.025 12.564 ( -8.370 0.000 -0.495) 8.384 12.691 ( -2.393 0.000 5.895) 6.362 13.555 ( -7.358 0.000 -0.360) 7.366 13.893 ( 5.057 0.000 2.918) 5.838 15.129 ( -5.786 -0.000 -6.646) 8.812 15.158 ( -6.581 0.000 -7.080) 9.666 ======================= Grid point 395 (209/312) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 14.902 0.000 -5.798) 15.990 2.320 ( 14.698 -0.000 -6.964) 16.265 3.354 ( -0.744 0.000 -7.373) 7.411 3.483 ( -0.041 -0.000 -13.171) 13.171 4.896 ( 1.426 0.000 8.455) 8.575 4.920 ( 3.819 0.000 2.992) 4.851 5.190 ( -0.018 -0.000 0.395) 0.395 5.212 ( -10.263 0.000 11.014) 15.055 5.387 ( -4.986 0.000 2.234) 5.463 6.147 ( 10.885 0.000 2.990) 11.288 6.283 ( -11.770 -0.000 17.849) 21.381 6.574 ( -4.653 0.000 12.502) 13.340 6.840 ( -1.445 0.000 -2.693) 3.056 7.396 ( 6.068 0.000 10.603) 12.217 7.655 ( 4.649 -0.000 -5.053) 6.867 7.959 ( 6.023 0.000 -1.264) 6.154 8.908 ( -7.922 -0.000 5.116) 9.431 9.053 ( -5.176 -0.000 5.623) 7.643 9.132 ( -0.600 0.000 5.566) 5.598 9.245 ( 0.513 0.000 0.492) 0.711 9.470 ( 7.185 0.000 1.099) 7.268 9.764 ( 3.141 -0.000 3.838) 4.960 9.847 ( 2.708 -0.000 1.094) 2.920 9.967 ( 14.360 0.000 -5.935) 15.538 10.400 ( -15.351 -0.000 -1.756) 15.451 10.439 ( 10.257 0.000 -3.161) 10.733 11.023 ( 13.352 0.000 -14.359) 19.608 11.194 ( -5.505 0.000 -21.126) 21.832 11.502 ( -0.697 -0.000 5.762) 5.804 11.637 ( 11.420 0.000 3.610) 11.977 12.402 ( -5.879 0.000 -8.236) 10.119 12.576 ( -9.469 0.000 6.516) 11.494 13.475 ( -0.438 0.000 2.645) 2.681 13.891 ( -6.124 0.000 10.551) 12.200 14.971 ( -11.672 -0.000 -11.096) 16.105 15.000 ( -6.392 0.000 -11.149) 12.851 ======================= Grid point 397 (210/312) ======================= q-point: ( 0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 13.928 0.000 -7.725) 15.927 2.615 ( 14.259 -0.000 -8.556) 16.629 3.356 ( 1.009 0.000 -10.032) 10.083 3.473 ( -0.758 -0.000 -15.110) 15.129 4.880 ( -3.403 -0.000 11.217) 11.722 4.985 ( -3.228 0.000 6.398) 7.166 5.014 ( -3.355 0.000 7.951) 8.630 5.203 ( -0.205 0.000 1.166) 1.184 5.345 ( 2.208 0.000 1.476) 2.656 6.090 ( -7.040 0.000 7.343) 10.173 6.112 ( -9.877 -0.000 3.743) 10.562 6.512 ( -7.366 0.000 6.348) 9.724 6.978 ( 16.322 0.000 -4.453) 16.919 7.493 ( 3.828 0.000 9.963) 10.674 7.801 ( 9.857 -0.000 -2.866) 10.265 8.073 ( 5.579 0.000 1.296) 5.728 8.765 ( -6.195 -0.000 7.906) 10.044 8.983 ( -2.483 -0.000 6.032) 6.523 9.124 ( -0.184 0.000 6.381) 6.384 9.254 ( 0.301 0.000 -2.365) 2.384 9.602 ( 5.375 0.000 -1.953) 5.719 9.754 ( -1.608 -0.000 -1.595) 2.265 9.988 ( 9.004 0.000 5.179) 10.387 10.093 ( -13.753 -0.000 0.594) 13.766 10.338 ( 21.729 0.000 0.401) 21.733 10.564 ( -0.190 0.000 -10.747) 10.749 11.102 ( -0.913 0.000 -11.916) 11.951 11.209 ( 4.233 -0.000 -12.813) 13.494 11.404 ( -9.192 0.000 8.168) 12.297 11.906 ( 15.410 0.000 7.226) 17.020 12.314 ( -16.487 0.000 7.207) 17.993 12.429 ( 9.750 -0.000 -11.902) 15.386 13.503 ( 1.262 0.000 5.503) 5.646 13.649 ( -17.561 -0.000 16.152) 23.859 14.732 ( -10.911 -0.000 -16.662) 19.917 14.885 ( -5.418 0.000 -14.599) 15.572 ======================= Grid point 399 (211/312) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 8.822 0.000 -8.710) 12.397 2.854 ( 8.906 0.000 -9.311) 12.884 3.390 ( 2.190 0.000 -13.176) 13.357 3.461 ( -0.299 -0.000 -16.056) 16.059 4.788 ( -4.564 0.000 9.791) 10.802 4.820 ( -7.112 0.000 8.946) 11.428 5.068 ( 3.002 0.000 4.909) 5.754 5.163 ( -3.249 0.000 3.610) 4.857 5.467 ( 8.845 0.000 5.292) 10.307 5.892 ( -11.174 0.000 5.140) 12.300 6.024 ( 0.636 0.000 -5.328) 5.366 6.311 ( -11.082 0.000 -5.806) 12.511 7.310 ( 14.162 0.000 4.406) 14.831 7.545 ( 1.030 0.000 10.626) 10.676 8.035 ( 12.693 0.000 -1.044) 12.736 8.181 ( 5.019 -0.000 4.174) 6.528 8.673 ( -2.444 0.000 9.476) 9.786 8.915 ( -5.524 -0.000 4.023) 6.833 9.127 ( 0.649 0.000 7.012) 7.042 9.232 ( -3.254 0.000 -1.407) 3.545 9.648 ( -0.577 0.000 2.258) 2.331 9.716 ( -2.268 0.000 -0.717) 2.379 9.950 ( 1.431 -0.000 -7.490) 7.625 10.164 ( 5.702 0.000 -5.718) 8.075 10.468 ( -3.703 0.000 -8.029) 8.842 10.751 ( 12.788 0.000 6.108) 14.172 11.116 ( -4.902 0.000 5.221) 7.162 11.162 ( 4.806 0.000 -6.042) 7.720 11.317 ( 0.166 -0.000 -12.079) 12.080 11.900 ( -21.391 0.000 6.906) 22.478 12.295 ( 20.438 0.000 12.129) 23.766 12.740 ( 19.378 -0.000 -7.090) 20.634 13.230 ( -23.599 0.000 17.111) 29.149 13.440 ( -9.104 0.000 4.732) 10.261 14.597 ( -1.581 -0.000 -19.652) 19.715 14.771 ( -6.150 0.000 -15.819) 16.973 ======================= Grid point 401 (212/312) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -1.131 0.000 -9.138) 9.207 2.941 ( 1.008 -0.000 -9.066) 9.121 3.428 ( 1.491 0.000 -15.414) 15.486 3.458 ( -0.207 -0.000 -15.681) 15.682 4.737 ( -0.897 -0.000 8.425) 8.472 4.744 ( 0.839 0.000 8.221) 8.263 5.100 ( -2.681 0.000 5.179) 5.832 5.129 ( 3.247 0.000 4.811) 5.804 5.663 ( 10.399 -0.000 6.711) 12.377 5.678 ( -10.517 0.000 7.130) 12.706 6.109 ( 7.560 -0.000 -10.008) 12.542 6.118 ( -7.427 0.000 -10.572) 12.920 7.500 ( 5.114 0.000 9.390) 10.693 7.513 ( -4.885 -0.000 9.207) 10.422 8.213 ( 2.847 0.000 2.965) 4.110 8.240 ( -0.820 -0.000 2.997) 3.107 8.722 ( 8.051 0.000 5.288) 9.632 8.753 ( -8.699 -0.000 4.120) 9.625 9.155 ( -3.101 -0.001 6.263) 6.988 9.156 ( 2.295 0.001 5.827) 6.263 9.659 ( 2.004 0.000 1.290) 2.384 9.668 ( -2.125 -0.000 1.160) 2.421 10.080 ( 9.087 -0.000 -16.108) 18.495 10.085 ( -8.886 0.000 -16.135) 18.420 10.608 ( -14.764 0.000 4.927) 15.565 10.619 ( 14.509 -0.000 4.771) 15.273 11.225 ( -0.710 0.000 -2.212) 2.323 11.244 ( -0.329 -0.000 -3.979) 3.993 11.455 ( -20.152 0.000 0.122) 20.152 11.465 ( 21.507 -0.000 1.291) 21.545 12.739 ( -24.681 -0.000 16.256) 29.553 12.749 ( 24.026 0.000 16.278) 29.021 13.135 ( 18.543 -0.000 -1.482) 18.602 13.150 ( -18.502 0.000 -1.910) 18.601 14.648 ( -5.522 -0.002 -17.450) 18.303 14.650 ( 5.637 0.002 -17.587) 18.468 ======================= Grid point 403 (213/312) ======================= q-point: (-0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -10.154 0.000 -8.606) 13.310 2.868 ( -8.248 0.000 -9.253) 12.395 3.442 ( -1.353 0.000 -13.136) 13.206 3.458 ( 1.850 0.000 -15.585) 15.694 4.780 ( 4.518 0.000 9.846) 10.833 4.828 ( 7.185 0.000 8.322) 10.994 5.057 ( -1.944 0.000 4.466) 4.871 5.192 ( 2.578 0.000 2.019) 3.274 5.477 ( -9.224 0.000 5.754) 10.872 5.879 ( 11.380 0.000 5.189) 12.507 6.039 ( -0.230 -0.000 -4.954) 4.959 6.301 ( 10.922 0.000 -5.159) 12.079 7.329 ( -13.837 0.000 4.145) 14.445 7.537 ( -0.832 0.000 10.795) 10.827 8.101 ( -11.514 0.000 -1.906) 11.670 8.176 ( -4.606 -0.000 4.298) 6.300 8.686 ( 2.047 0.000 9.000) 9.230 8.899 ( 7.041 -0.000 3.372) 7.807 9.120 ( -0.675 0.000 7.743) 7.773 9.209 ( 2.045 0.000 -0.475) 2.100 9.657 ( 0.854 0.000 2.513) 2.654 9.704 ( 2.122 0.000 -0.486) 2.177 9.956 ( -1.739 -0.000 -7.976) 8.164 10.153 ( -6.440 0.000 -5.691) 8.594 10.466 ( 5.045 0.000 -8.286) 9.701 10.738 ( -14.420 0.000 6.423) 15.786 11.112 ( 6.604 0.000 5.727) 8.741 11.171 ( -5.360 0.000 -6.414) 8.359 11.314 ( -0.609 -0.000 -12.168) 12.183 11.919 ( 21.251 0.000 7.033) 22.384 12.275 ( -20.737 0.000 12.122) 24.020 12.751 ( -19.295 -0.000 -7.404) 20.666 13.234 ( 23.179 0.000 16.848) 28.655 13.424 ( 9.074 0.000 4.820) 10.275 14.595 ( 1.602 -0.000 -19.320) 19.387 14.776 ( 6.420 0.000 -15.837) 17.089 ======================= Grid point 405 (214/312) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -14.894 0.000 -7.392) 16.627 2.639 ( -13.815 -0.000 -8.647) 16.298 3.413 ( -1.272 -0.000 -9.717) 9.800 3.498 ( 1.923 0.000 -14.494) 14.621 4.872 ( 3.357 0.000 11.367) 11.852 4.987 ( 2.862 0.000 6.110) 6.747 5.032 ( 4.502 0.000 6.563) 7.959 5.212 ( -0.905 0.000 -0.506) 1.037 5.345 ( -2.766 0.000 1.738) 3.266 6.108 ( 10.682 0.001 4.087) 11.437 6.111 ( 7.139 -0.001 7.953) 10.687 6.496 ( 6.962 0.000 6.543) 9.553 7.000 ( -16.461 0.000 -4.684) 17.114 7.491 ( -3.396 0.000 9.949) 10.512 7.878 ( -9.790 -0.000 -3.745) 10.482 8.073 ( -5.466 0.000 1.158) 5.587 8.782 ( 6.716 -0.000 7.763) 10.265 8.990 ( 3.044 -0.000 4.837) 5.715 9.119 ( 0.423 0.000 7.001) 7.014 9.217 ( -0.662 0.000 -1.560) 1.695 9.626 ( -4.430 0.000 -1.699) 4.745 9.738 ( 1.244 0.000 -1.111) 1.668 9.969 ( -9.094 0.000 4.783) 10.275 10.085 ( 13.122 0.000 0.977) 13.159 10.315 ( -21.919 0.000 0.912) 21.938 10.592 ( 1.549 0.000 -11.246) 11.353 11.089 ( -0.308 0.000 -11.531) 11.535 11.214 ( -4.857 -0.000 -13.380) 14.235 11.389 ( 9.132 0.000 8.895) 12.748 11.876 ( -15.724 -0.000 7.387) 17.372 12.336 ( 16.596 0.000 6.940) 17.989 12.443 ( -9.504 -0.000 -12.223) 15.483 13.487 ( -1.254 0.000 5.412) 5.555 13.648 ( 17.383 -0.000 15.860) 23.531 14.728 ( 10.825 -0.000 -16.281) 19.551 14.896 ( 5.836 0.000 -14.517) 15.647 ======================= Grid point 407 (215/312) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -14.705 0.000 -5.417) 15.671 2.348 ( -14.696 -0.000 -7.093) 16.318 3.397 ( -0.156 -0.000 -6.992) 6.994 3.519 ( -0.029 0.000 -12.503) 12.503 4.887 ( -1.463 0.000 8.572) 8.696 4.938 ( -3.522 0.000 2.570) 4.360 5.178 ( -0.718 -0.000 -0.080) 0.722 5.221 ( 9.842 0.000 9.937) 13.986 5.382 ( 4.848 -0.000 2.163) 5.308 6.166 ( -10.226 0.000 2.953) 10.644 6.299 ( 11.059 -0.000 17.825) 20.977 6.557 ( 5.112 0.000 13.321) 14.268 6.845 ( 0.618 0.000 -3.470) 3.524 7.406 ( -5.410 0.000 10.322) 11.654 7.726 ( -5.234 -0.000 -5.693) 7.734 7.959 ( -6.112 0.000 -1.753) 6.359 8.937 ( 8.544 -0.000 4.891) 9.845 9.058 ( 4.388 -0.000 4.656) 6.398 9.133 ( 0.809 0.000 6.198) 6.251 9.204 ( -0.397 -0.000 1.209) 1.273 9.510 ( -6.727 0.000 1.771) 6.957 9.722 ( -4.747 0.000 4.824) 6.768 9.848 ( -1.231 -0.000 0.439) 1.307 9.943 ( -13.828 0.000 -6.142) 15.131 10.386 ( 15.140 -0.000 -0.690) 15.156 10.470 ( -10.934 0.000 -3.098) 11.364 11.013 ( -13.994 0.000 -13.992) 19.789 11.175 ( 6.009 0.000 -21.387) 22.215 11.496 ( 1.553 0.000 5.488) 5.703 11.608 ( -11.266 -0.000 3.697) 11.857 12.414 ( 5.394 -0.000 -8.514) 10.079 12.598 ( 9.309 0.000 6.229) 11.201 13.462 ( 0.626 0.000 2.596) 2.670 13.889 ( 6.097 0.000 10.180) 11.866 14.962 ( 11.434 -0.000 -10.828) 15.747 15.019 ( 6.751 0.000 -11.051) 12.950 ======================= Grid point 409 (216/312) ======================= q-point: (-0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -8.923 0.000 -3.659) 9.644 2.086 ( -10.699 -0.000 -5.010) 11.814 3.407 ( 1.179 -0.000 -5.949) 6.065 3.495 ( -2.273 0.000 -9.540) 9.807 4.846 ( -1.961 0.000 5.303) 5.654 4.872 ( -2.765 0.000 2.462) 3.702 5.229 ( 6.140 -0.000 0.665) 6.176 5.386 ( 6.112 0.000 9.486) 11.284 5.478 ( 3.979 -0.000 3.797) 5.500 5.832 ( -18.383 0.000 -0.205) 18.384 6.527 ( 11.255 0.000 20.970) 23.799 6.737 ( 9.053 -0.000 10.236) 13.664 6.870 ( 1.378 0.000 12.327) 12.404 7.262 ( -9.318 0.000 12.744) 15.787 7.675 ( 0.128 -0.000 -6.041) 6.042 7.827 ( -6.986 0.000 -2.723) 7.498 9.099 ( 7.000 -0.000 3.517) 7.834 9.146 ( 2.332 -0.000 8.157) 8.484 9.151 ( 1.074 0.000 6.075) 6.169 9.204 ( 0.588 0.000 -1.678) 1.778 9.406 ( -1.431 0.000 4.178) 4.416 9.585 ( -7.416 0.000 6.756) 10.032 9.779 ( -2.872 0.000 -8.761) 9.220 9.869 ( 0.272 0.000 -5.797) 5.803 10.277 ( -5.317 0.000 -3.208) 6.209 10.571 ( -5.883 0.000 -8.945) 10.707 10.802 ( 3.210 0.000 -7.720) 8.361 11.208 ( -4.872 0.000 -19.602) 20.198 11.453 ( -2.918 0.000 -0.828) 3.033 11.495 ( -0.835 -0.000 -2.744) 2.868 12.564 ( 7.766 0.000 -0.787) 7.806 12.708 ( 2.071 0.000 5.765) 6.126 13.547 ( 7.666 0.000 -0.378) 7.675 13.893 ( -4.939 0.000 2.694) 5.626 15.144 ( 6.267 -0.000 -6.891) 9.314 15.151 ( 5.855 0.000 -6.701) 8.899 ======================= Grid point 451 (217/312) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -1.534 0.000 24.283) 24.331 2.493 ( -0.936 0.000 -21.333) 21.354 2.940 ( -0.433 0.000 32.596) 32.599 3.972 ( 0.077 0.000 -19.065) 19.066 4.486 ( -0.413 0.000 41.446) 41.448 4.648 ( 0.330 0.000 12.265) 12.270 5.214 ( -0.239 0.000 -10.888) 10.891 5.521 ( 0.344 0.000 0.858) 0.925 5.543 ( -0.539 0.000 3.438) 3.480 5.591 ( 0.408 0.000 -13.880) 13.886 5.907 ( 1.861 0.000 7.326) 7.559 6.033 ( -1.004 0.000 20.031) 20.057 6.342 ( -0.368 0.000 -9.784) 9.791 6.564 ( 0.404 0.000 -9.110) 9.119 7.522 ( -0.833 0.000 15.939) 15.960 8.287 ( -0.616 0.000 -25.042) 25.050 8.481 ( 0.744 0.000 19.131) 19.146 8.713 ( -0.333 0.000 10.407) 10.413 9.148 ( 0.216 0.000 21.987) 21.988 9.213 ( -0.588 0.000 -8.466) 8.487 9.356 ( 1.029 0.000 -17.742) 17.772 9.913 ( 0.423 0.000 4.055) 4.077 9.960 ( -0.189 0.000 -19.382) 19.383 10.090 ( -0.041 0.000 -4.524) 4.524 10.292 ( 0.616 0.000 8.432) 8.454 10.823 ( -0.513 0.000 -15.920) 15.928 10.963 ( 0.312 0.000 7.497) 7.503 11.357 ( -0.061 0.000 -14.606) 14.607 11.738 ( -0.252 0.000 13.736) 13.738 12.259 ( 0.299 0.000 -13.419) 13.422 12.377 ( 0.417 0.000 6.829) 6.842 12.594 ( -0.322 0.000 -5.141) 5.151 13.784 ( 0.542 0.000 -0.288) 0.614 13.830 ( 0.924 0.000 -2.956) 3.097 15.080 ( -0.048 0.000 19.651) 19.651 15.734 ( -0.190 0.000 -14.444) 14.445 ======================= Grid point 452 (218/312) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 19.517 0.000 21.343) 28.921 2.590 ( 10.217 0.000 -18.726) 21.332 2.962 ( 2.455 0.000 32.746) 32.838 3.995 ( 2.243 0.000 -18.412) 18.548 4.456 ( -2.835 0.000 43.140) 43.233 4.654 ( -0.080 0.000 10.477) 10.477 5.113 ( -7.177 0.000 -10.691) 12.877 5.525 ( 0.698 0.000 3.943) 4.005 5.532 ( -5.125 0.000 11.211) 12.327 5.623 ( 1.142 0.000 -14.732) 14.776 5.786 ( 3.763 0.000 -1.599) 4.088 6.222 ( -8.920 0.000 -12.981) 15.750 6.383 ( 20.968 0.000 12.814) 24.573 6.692 ( 9.968 0.000 -4.945) 11.127 7.520 ( 0.999 0.000 17.552) 17.580 8.289 ( 0.955 0.000 -22.221) 22.242 8.492 ( 0.111 0.000 17.799) 17.799 8.710 ( -0.613 0.000 8.677) 8.699 8.967 ( -10.258 0.000 13.121) 16.655 9.407 ( 12.154 0.000 1.759) 12.280 9.424 ( 5.473 0.000 -18.213) 19.017 9.843 ( -7.186 0.000 -10.824) 12.992 9.976 ( 5.648 0.000 4.392) 7.155 10.178 ( 0.600 0.000 -3.248) 3.303 10.300 ( 4.978 0.000 -4.109) 6.455 10.525 ( -18.854 0.000 -6.761) 20.030 11.197 ( 12.653 0.000 -0.843) 12.682 11.404 ( 4.457 0.000 -11.805) 12.619 11.673 ( -5.999 0.000 12.045) 13.456 12.125 ( -11.427 0.000 -11.153) 15.968 12.435 ( 5.038 0.000 7.284) 8.857 12.630 ( 1.417 0.000 -3.455) 3.734 13.694 ( -9.398 0.000 -1.636) 9.540 13.728 ( -9.980 0.000 -2.882) 10.388 15.048 ( -3.141 0.000 20.540) 20.779 15.769 ( 3.273 0.000 -17.986) 18.281 ======================= Grid point 453 (219/312) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 26.383 0.000 14.326) 30.022 2.856 ( 15.190 0.000 -14.778) 21.193 3.031 ( 4.374 0.000 33.431) 33.716 4.054 ( 3.685 0.000 -16.990) 17.385 4.377 ( -4.942 0.000 42.647) 42.932 4.632 ( -2.370 0.000 7.190) 7.571 4.987 ( -5.171 0.000 -12.550) 13.574 5.378 ( -7.932 0.000 16.061) 17.913 5.576 ( 1.385 0.000 -7.667) 7.791 5.630 ( 1.622 0.000 -4.780) 5.048 6.010 ( 15.714 0.000 -8.268) 17.756 6.056 ( -5.606 0.000 -13.317) 14.449 6.745 ( 13.710 0.000 8.231) 15.991 6.916 ( 11.887 0.000 -3.004) 12.261 7.592 ( 6.916 0.000 19.547) 20.734 8.322 ( 2.081 0.000 -15.503) 15.642 8.475 ( -2.498 0.000 14.240) 14.457 8.665 ( -3.981 0.000 3.739) 5.462 8.785 ( -7.129 0.000 18.158) 19.508 9.509 ( -0.241 0.000 -17.882) 17.884 9.668 ( 13.617 0.000 1.529) 13.703 9.766 ( 2.472 0.000 -2.605) 3.591 10.077 ( -8.515 0.000 -1.619) 8.667 10.087 ( -6.245 0.000 -7.246) 9.566 10.184 ( -1.897 0.000 3.054) 3.595 10.512 ( 13.680 0.000 -11.931) 18.152 11.402 ( 7.058 0.000 -1.365) 7.189 11.496 ( -2.473 0.000 -4.303) 4.963 11.529 ( -1.471 0.000 6.308) 6.477 11.870 ( -12.843 0.000 -7.235) 14.741 12.560 ( 6.942 0.000 6.404) 9.445 12.569 ( -8.717 0.000 4.096) 9.631 13.426 ( -16.791 0.000 -3.341) 17.120 13.517 ( -9.070 0.000 -5.812) 10.772 14.961 ( -5.554 0.000 22.538) 23.212 15.835 ( 2.931 0.000 -24.682) 24.855 ======================= Grid point 454 (220/312) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 23.339 0.000 7.544) 24.528 3.067 ( 4.225 0.000 15.377) 15.947 3.218 ( 15.118 0.000 7.180) 16.736 4.134 ( 3.666 0.000 -8.209) 8.990 4.284 ( -3.512 0.000 29.633) 29.841 4.557 ( -5.130 0.000 4.952) 7.131 4.890 ( -5.238 0.000 -12.867) 13.892 5.244 ( -5.384 0.000 17.031) 17.862 5.514 ( -5.482 0.000 -24.247) 24.859 5.660 ( -1.238 0.000 -0.238) 1.261 6.110 ( 11.506 0.000 -1.866) 11.657 6.367 ( 19.442 0.000 -9.394) 21.593 6.908 ( 3.598 0.000 7.715) 8.513 7.134 ( 9.236 0.000 -4.851) 10.432 7.784 ( 10.610 0.000 18.402) 21.241 8.321 ( -4.307 0.000 -1.073) 4.438 8.376 ( -6.841 0.000 10.082) 12.184 8.600 ( -0.057 0.000 -7.948) 7.948 8.721 ( 0.618 0.000 22.091) 22.100 9.407 ( -7.693 0.000 -14.615) 16.516 9.664 ( -19.538 0.000 0.181) 19.538 9.882 ( 2.339 0.000 1.429) 2.741 9.982 ( 13.040 0.000 0.066) 13.040 10.027 ( 4.831 0.000 -13.569) 14.403 10.387 ( 13.550 0.000 10.175) 16.945 10.815 ( 16.348 0.000 -12.427) 20.535 11.291 ( -11.934 0.000 2.903) 12.282 11.390 ( -9.416 0.000 -4.688) 10.518 11.623 ( 4.641 0.000 -1.074) 4.764 11.708 ( -2.226 0.000 1.833) 2.884 12.293 ( -17.311 0.000 7.948) 19.048 12.673 ( 2.000 0.000 -2.080) 2.885 13.078 ( -15.371 0.000 0.352) 15.375 13.404 ( -2.625 0.000 -9.612) 9.964 14.838 ( -6.542 0.000 25.239) 26.073 15.874 ( 1.102 0.000 -29.988) 30.008 ======================= Grid point 455 (221/312) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 1.572 0.000 22.404) 22.459 3.192 ( 14.959 0.000 0.828) 14.982 3.507 ( 12.486 0.000 2.268) 12.690 4.124 ( -3.820 0.000 29.135) 29.384 4.326 ( 7.120 0.000 -12.508) 14.392 4.440 ( -6.083 0.000 4.352) 7.479 4.758 ( -8.103 0.000 -10.021) 12.887 5.171 ( -2.087 0.000 16.087) 16.221 5.400 ( -4.883 0.000 -25.992) 26.447 5.626 ( -1.312 0.000 -6.192) 6.329 6.396 ( 14.115 0.000 5.811) 15.264 6.738 ( 16.278 0.000 -7.938) 18.111 6.935 ( -0.102 0.000 8.357) 8.358 7.261 ( 3.325 0.000 -6.709) 7.488 7.932 ( 2.763 0.000 15.517) 15.761 8.167 ( -8.434 0.000 4.278) 9.457 8.263 ( -3.010 0.000 10.337) 10.766 8.679 ( 6.402 0.000 -12.732) 14.251 8.786 ( 5.111 0.000 14.825) 15.681 9.242 ( -8.334 0.000 -15.537) 17.631 9.288 ( -16.599 0.000 8.325) 18.570 9.857 ( -1.537 0.000 -6.371) 6.553 10.228 ( 11.054 0.000 -0.023) 11.054 10.254 ( 13.544 0.000 4.930) 14.413 10.638 ( 7.931 0.000 12.254) 14.597 11.035 ( -8.882 0.000 -0.354) 8.889 11.156 ( 12.680 0.000 -13.451) 18.485 11.189 ( -5.019 0.000 -4.325) 6.625 11.611 ( -11.951 0.000 13.678) 18.163 11.693 ( 2.283 0.000 1.432) 2.695 12.006 ( -7.989 0.000 -2.646) 8.415 12.504 ( -15.181 0.000 -18.255) 23.743 12.974 ( 2.170 0.000 10.283) 10.509 13.382 ( -0.155 0.000 -9.916) 9.917 14.720 ( -4.912 0.000 28.065) 28.492 15.882 ( -0.046 0.000 -32.915) 32.915 ======================= Grid point 456 (222/312) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 0.098 0.000 22.945) 22.945 3.359 ( 0.840 0.000 -4.347) 4.428 3.658 ( 1.142 0.000 1.782) 2.117 4.072 ( -0.186 0.000 32.778) 32.779 4.360 ( -0.575 0.000 4.785) 4.819 4.473 ( 3.150 0.000 -24.224) 24.427 4.605 ( -3.033 0.000 -0.624) 3.097 5.151 ( -0.154 0.000 15.378) 15.379 5.344 ( -0.322 0.000 -26.412) 26.414 5.614 ( 0.067 0.000 -7.412) 7.413 6.556 ( -0.468 0.000 8.108) 8.122 6.901 ( -3.292 0.000 9.198) 9.770 6.946 ( 2.586 0.000 -7.126) 7.581 7.285 ( 0.179 0.000 -6.658) 6.661 7.951 ( 2.349 0.000 10.968) 11.217 8.077 ( 0.656 0.000 2.228) 2.322 8.241 ( -1.160 0.000 14.194) 14.241 8.794 ( 3.170 0.000 -13.176) 13.552 8.854 ( -2.158 0.000 -0.757) 2.287 9.096 ( 1.517 0.000 23.378) 23.427 9.108 ( -3.284 0.000 -15.473) 15.818 9.846 ( 0.331 0.000 -8.047) 8.054 10.358 ( -0.861 0.000 8.753) 8.795 10.460 ( 0.140 0.000 14.570) 14.570 10.619 ( -0.633 0.000 0.745) 0.977 10.908 ( 0.569 0.000 -7.104) 7.126 11.285 ( -16.491 0.000 10.557) 19.581 11.323 ( -0.742 0.000 -11.034) 11.059 11.339 ( 16.328 0.000 7.156) 17.827 11.713 ( -0.123 0.000 2.998) 3.000 11.949 ( -0.051 0.000 -6.094) 6.094 12.314 ( 0.344 0.000 -21.377) 21.380 13.006 ( -0.251 0.000 9.171) 9.174 13.382 ( 0.009 0.000 -9.625) 9.625 14.665 ( -0.322 0.000 29.450) 29.452 15.877 ( -0.245 0.000 -33.551) 33.552 ======================= Grid point 457 (223/312) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -1.273 0.000 22.541) 22.577 3.221 ( -13.752 0.000 -0.972) 13.786 3.544 ( -11.278 0.000 0.723) 11.301 4.122 ( 3.658 0.000 28.431) 28.666 4.362 ( -7.016 0.000 -14.198) 15.837 4.424 ( 5.704 0.000 5.024) 7.600 4.725 ( 8.405 0.000 -7.992) 11.598 5.166 ( 1.821 0.000 16.344) 16.445 5.389 ( 4.665 0.000 -25.158) 25.587 5.628 ( 1.325 0.000 -6.502) 6.635 6.385 ( -14.274 0.000 6.438) 15.659 6.698 ( -16.387 0.000 -5.171) 17.183 6.954 ( -0.478 0.000 6.456) 6.474 7.264 ( -3.308 0.000 -7.030) 7.769 8.021 ( -0.262 0.000 10.906) 10.909 8.192 ( 9.618 0.000 3.441) 10.215 8.206 ( 0.700 0.000 14.292) 14.309 8.746 ( -6.301 0.000 -16.069) 17.260 8.753 ( -4.708 0.000 15.859) 16.543 9.168 ( 7.850 0.000 -12.470) 14.735 9.305 ( 16.028 0.000 7.602) 17.739 9.867 ( 1.839 0.000 -8.200) 8.404 10.205 ( -11.697 0.000 3.264) 12.144 10.257 ( -13.222 0.000 3.862) 13.774 10.607 ( -9.659 0.000 15.530) 18.289 11.037 ( 5.376 0.000 -0.257) 5.382 11.144 ( -9.559 0.000 -14.285) 17.188 11.156 ( 6.697 0.000 -2.725) 7.231 11.643 ( 9.701 0.000 10.161) 14.048 11.691 ( -2.218 0.000 2.019) 3.000 12.013 ( 9.233 0.000 -2.215) 9.495 12.507 ( 14.796 0.000 -18.014) 23.312 12.964 ( -2.716 0.000 10.745) 11.083 13.380 ( -0.125 0.000 -9.895) 9.895 14.711 ( 4.519 0.000 28.048) 28.410 15.872 ( -0.187 0.000 -32.114) 32.114 ======================= Grid point 458 (224/312) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -22.502 0.000 5.228) 23.101 3.083 ( -3.380 0.000 17.500) 17.823 3.267 ( -15.308 0.000 2.933) 15.586 4.132 ( -3.396 0.000 -5.055) 6.090 4.317 ( 2.959 0.000 23.869) 24.052 4.538 ( 5.071 0.000 5.676) 7.612 4.865 ( 5.613 0.000 -11.439) 12.742 5.237 ( 5.414 0.000 17.289) 18.117 5.504 ( 5.939 0.000 -23.285) 24.031 5.660 ( 1.216 0.000 -0.824) 1.469 6.101 ( -11.309 0.000 -0.722) 11.332 6.325 ( -19.425 0.000 -7.520) 20.830 6.918 ( -4.128 0.000 6.914) 8.052 7.136 ( -9.251 0.000 -5.516) 10.771 7.861 ( -12.091 0.000 15.205) 19.426 8.317 ( 7.019 0.000 14.185) 15.826 8.378 ( 6.250 0.000 0.003) 6.250 8.632 ( -2.867 0.000 -13.698) 13.995 8.709 ( 0.693 0.000 21.306) 21.317 9.345 ( 8.677 0.000 -11.913) 14.738 9.667 ( 18.382 0.000 0.459) 18.388 9.898 ( -2.304 0.000 0.519) 2.361 9.990 ( -5.064 0.000 -10.161) 11.353 9.998 ( -11.932 0.000 -1.371) 12.010 10.345 ( -13.282 0.000 12.842) 18.475 10.787 ( -15.921 0.000 -11.721) 19.770 11.305 ( 11.644 0.000 1.325) 11.719 11.381 ( 10.606 0.000 -3.864) 11.288 11.624 ( -4.412 0.000 -0.292) 4.422 11.703 ( 0.818 0.000 1.003) 1.294 12.315 ( 17.353 0.000 7.314) 18.832 12.661 ( -2.729 0.000 -1.242) 2.998 13.061 ( 15.018 0.000 1.117) 15.059 13.389 ( 1.761 0.000 -9.446) 9.609 14.828 ( 6.587 0.000 25.066) 25.917 15.863 ( -0.790 0.000 -28.857) 28.868 ======================= Grid point 459 (225/312) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -26.296 0.000 11.592) 28.738 2.906 ( -15.064 0.000 -16.863) 22.612 3.052 ( -4.919 0.000 33.213) 33.575 4.053 ( -3.663 0.000 -16.798) 17.193 4.403 ( 4.358 0.000 40.156) 40.392 4.614 ( 2.470 0.000 7.956) 8.331 4.970 ( 5.802 0.000 -11.306) 12.708 5.375 ( 8.149 0.000 16.078) 18.025 5.574 ( -0.608 0.000 -8.858) 8.879 5.633 ( -1.896 0.000 -3.806) 4.252 5.969 ( -15.584 0.000 -6.951) 17.063 6.050 ( 5.994 0.000 -12.054) 13.462 6.744 ( -14.111 0.000 8.427) 16.435 6.917 ( -12.065 0.000 -3.753) 12.635 7.646 ( -7.986 0.000 16.927) 18.716 8.380 ( -3.446 0.000 -17.019) 17.365 8.422 ( 3.205 0.000 17.914) 18.198 8.672 ( 4.132 0.000 1.394) 4.360 8.792 ( 7.300 0.000 16.635) 18.166 9.451 ( 0.158 0.000 -14.663) 14.664 9.676 ( -13.142 0.000 1.715) 13.253 9.788 ( -1.597 0.000 -3.292) 3.659 10.055 ( 6.285 0.000 -5.090) 8.088 10.057 ( 2.411 0.000 1.236) 2.709 10.185 ( 8.198 0.000 1.237) 8.291 10.497 ( -12.953 0.000 -11.860) 17.563 11.405 ( -7.107 0.000 -1.851) 7.344 11.492 ( 0.920 0.000 -5.668) 5.742 11.547 ( 2.916 0.000 7.366) 7.922 11.853 ( 13.154 0.000 -6.636) 14.733 12.540 ( -7.007 0.000 7.059) 9.946 12.589 ( 8.425 0.000 3.636) 9.176 13.403 ( 16.673 0.000 -2.033) 16.796 13.484 ( 8.471 0.000 -5.129) 9.903 14.955 ( 5.796 0.000 22.196) 22.940 15.832 ( -2.323 0.000 -23.907) 24.020 ======================= Grid point 460 (226/312) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -21.118 0.000 18.928) 28.359 2.625 ( -11.506 0.000 -20.145) 23.199 2.976 ( -3.083 0.000 32.598) 32.744 3.994 ( -2.154 0.000 -18.783) 18.906 4.470 ( 2.001 0.000 41.855) 41.903 4.641 ( 0.532 0.000 11.031) 11.044 5.111 ( 7.942 0.000 -9.767) 12.588 5.532 ( -0.610 0.000 3.502) 3.555 5.536 ( 4.967 0.000 10.928) 12.004 5.620 ( -1.259 0.000 -14.409) 14.464 5.749 ( -2.937 0.000 -0.407) 2.965 6.225 ( 9.331 0.000 -12.515) 15.611 6.381 ( -20.761 0.000 13.120) 24.559 6.688 ( -10.188 0.000 -5.361) 11.512 7.551 ( -2.457 0.000 15.916) 16.105 8.317 ( -2.334 0.000 -23.154) 23.272 8.462 ( 1.230 0.000 19.572) 19.610 8.719 ( 0.426 0.000 7.439) 7.452 8.971 ( 9.914 0.000 12.198) 15.719 9.386 ( -3.725 0.000 -16.237) 16.658 9.416 ( -12.381 0.000 2.203) 12.575 9.857 ( 6.297 0.000 -11.403) 13.026 9.958 ( -4.706 0.000 4.878) 6.778 10.162 ( 1.465 0.000 -1.544) 2.129 10.290 ( -5.651 0.000 -4.554) 7.258 10.534 ( 18.563 0.000 -6.597) 19.700 11.197 ( -12.812 0.000 -1.356) 12.884 11.406 ( -4.389 0.000 -11.922) 12.704 11.681 ( 5.581 0.000 12.195) 13.412 12.116 ( 11.849 0.000 -10.962) 16.142 12.421 ( -4.531 0.000 7.570) 8.823 12.642 ( -1.918 0.000 -3.664) 4.135 13.675 ( 10.059 0.000 -0.642) 10.079 13.698 ( 10.901 0.000 -1.789) 11.047 15.048 ( 3.215 0.000 20.239) 20.493 15.773 ( -3.098 0.000 -17.869) 18.135 ======================= Grid point 461 (227/312) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -1.517 1.870 22.430) 22.558 2.452 ( -0.838 -4.234 -20.173) 20.630 2.940 ( -0.605 -0.042 33.433) 33.439 4.014 ( 0.225 3.926 -20.195) 20.574 4.549 ( -0.267 5.973 32.951) 33.489 4.691 ( 0.275 3.963 10.133) 10.884 5.246 ( -1.095 3.530 -7.873) 8.697 5.324 ( 1.296 -12.858 -2.178) 13.106 5.509 ( 0.196 -2.008 3.521) 4.058 5.647 ( -0.354 0.534 -5.740) 5.776 5.958 ( 0.850 4.312 10.339) 11.234 6.121 ( -0.296 8.876 17.452) 19.582 6.474 ( -0.237 12.356 -8.170) 14.815 6.668 ( 0.337 10.392 -9.569) 14.130 7.513 ( -0.747 -0.646 15.047) 15.079 8.255 ( -0.611 -3.365 -24.515) 24.753 8.523 ( 0.712 4.323 19.260) 19.752 8.738 ( -0.426 1.335 16.745) 16.804 9.201 ( 2.101 6.255 9.807) 11.820 9.238 ( -2.358 2.612 -7.351) 8.150 9.377 ( 0.992 2.053 -15.495) 15.662 9.827 ( 0.132 -7.459 -4.508) 8.717 9.965 ( -0.195 -0.781 -10.264) 10.296 10.068 ( 0.075 -2.396 -4.434) 5.041 10.299 ( 0.646 0.279 8.353) 8.383 10.782 ( -0.966 -4.088 -14.246) 14.852 10.947 ( 0.989 -1.503 7.871) 8.074 11.377 ( -0.182 1.608 -15.271) 15.357 11.662 ( -0.165 -7.645 12.990) 15.074 12.110 ( 0.218 -12.080 -9.052) 15.096 12.467 ( 0.120 6.029 2.230) 6.430 12.605 ( -0.155 1.102 -4.135) 4.283 13.773 ( 0.660 -1.002 -0.235) 1.222 13.818 ( 0.746 -1.186 -2.799) 3.130 15.067 ( -0.047 -1.322 18.341) 18.388 15.690 ( -0.181 -4.487 -14.023) 14.724 ======================= Grid point 462 (228/312) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 18.353 0.596 19.736) 26.958 2.544 ( 9.637 -4.743 -17.786) 20.777 2.954 ( 1.797 -0.844 33.749) 33.807 4.046 ( 2.747 4.558 -19.668) 20.375 4.533 ( -1.539 7.254 34.306) 35.098 4.694 ( -0.156 3.784 9.151) 9.904 5.114 ( -8.473 -0.342 -6.390) 10.618 5.351 ( 0.039 -9.516 -0.169) 9.518 5.519 ( -1.561 -5.590 -4.816) 7.542 5.612 ( -2.214 2.863 10.884) 11.470 5.902 ( 4.002 7.727 -3.445) 9.359 6.337 ( -5.372 9.712 -7.062) 13.155 6.454 ( 17.020 7.386 8.386) 20.361 6.784 ( 8.719 9.553 -4.909) 13.834 7.518 ( 1.400 -0.185 16.338) 16.399 8.262 ( 1.291 -3.058 -22.284) 22.530 8.531 ( -0.055 4.141 18.007) 18.477 8.708 ( -2.936 -0.156 17.511) 17.756 9.055 ( -8.127 8.509 3.176) 12.188 9.395 ( 9.432 -0.172 -4.070) 10.275 9.452 ( 6.482 2.295 -12.890) 14.610 9.764 ( -6.539 -7.611 -9.262) 13.655 9.954 ( 3.711 -2.371 2.506) 5.067 10.138 ( -0.984 -3.595 -4.663) 5.969 10.319 ( 6.153 1.272 -3.551) 7.217 10.566 ( -14.496 3.521 -2.924) 15.201 11.144 ( 12.143 -5.024 -2.313) 13.343 11.426 ( 4.632 1.776 -11.165) 12.217 11.606 ( -5.276 -6.536 11.273) 14.058 12.039 ( -7.251 -9.344 -8.745) 14.709 12.464 ( 0.334 3.279 4.570) 5.635 12.619 ( 0.106 -1.054 -2.261) 2.497 13.644 ( -9.781 -2.784 -2.464) 10.464 13.787 ( -6.485 3.743 -2.055) 7.764 15.027 ( -3.865 -2.147 19.353) 19.851 15.716 ( 2.512 -5.397 -17.326) 18.320 ======================= Grid point 463 (229/312) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 25.191 -1.871 12.990) 28.404 2.795 ( 14.252 -6.207 -13.600) 20.655 3.010 ( 3.912 -1.987 34.058) 34.340 4.107 ( 3.198 4.529 -17.643) 18.493 4.488 ( -2.981 10.634 34.497) 36.221 4.671 ( -2.636 3.786 6.774) 8.195 4.967 ( -5.731 -2.066 -10.064) 11.764 5.324 ( -3.620 -5.760 8.742) 11.077 5.472 ( -0.451 -5.876 -7.138) 9.256 5.604 ( 0.815 -1.650 6.225) 6.491 6.075 ( 8.692 7.271 -6.073) 12.857 6.194 ( -2.316 10.599 -14.747) 18.308 6.817 ( 15.628 4.710 7.197) 17.839 6.969 ( 9.156 6.908 -2.259) 11.691 7.590 ( 6.386 -0.296 17.832) 18.944 8.296 ( 1.674 -3.271 -17.013) 17.405 8.509 ( -2.886 3.628 14.707) 15.420 8.618 ( -5.584 -1.340 18.080) 18.970 8.911 ( -5.663 9.561 4.236) 11.892 9.506 ( -1.734 -0.428 -14.447) 14.557 9.642 ( 12.009 -2.443 -1.980) 12.414 9.701 ( 4.218 -5.188 -3.885) 7.732 9.997 ( -5.489 -3.228 -5.565) 8.458 10.122 ( 7.381 -3.077 3.641) 8.787 10.254 ( -15.845 8.055 -3.294) 18.078 10.541 ( 14.062 2.277 -9.393) 17.063 11.358 ( 8.032 -4.231 -2.744) 9.484 11.456 ( -8.712 -4.801 6.837) 12.070 11.539 ( 5.258 2.051 -4.002) 6.918 11.849 ( -10.457 -4.288 -7.187) 13.394 12.435 ( -7.091 -5.339 5.414) 10.397 12.606 ( 1.360 -1.428 4.738) 5.132 13.459 ( -8.573 1.988 -4.787) 10.018 13.570 ( -13.531 6.123 -4.052) 15.395 14.922 ( -6.507 -3.977 21.662) 22.965 15.767 ( 2.241 -7.008 -23.772) 24.885 ======================= Grid point 464 (230/312) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 22.540 -3.924 6.302) 23.731 3.006 ( 4.966 -5.987 12.585) 14.795 3.172 ( 13.418 -4.408 11.627) 18.294 4.169 ( 3.113 2.830 -11.763) 12.493 4.425 ( -3.325 13.579 26.525) 29.983 4.589 ( -5.191 2.997 3.984) 7.198 4.875 ( -4.245 -1.166 -11.219) 12.052 5.229 ( -4.912 -1.765 9.890) 11.183 5.457 ( -1.893 -4.300 -16.367) 17.028 5.634 ( 0.282 -2.779 8.084) 8.553 6.115 ( 5.184 2.534 -5.682) 8.098 6.414 ( 15.365 3.967 -10.300) 18.919 7.021 ( 4.805 9.375 4.934) 11.633 7.145 ( 8.493 1.367 -2.878) 9.071 7.765 ( 9.824 -1.885 16.560) 19.347 8.297 ( -1.972 -4.634 -5.203) 7.241 8.389 ( -8.890 2.998 11.027) 14.478 8.541 ( -0.865 0.194 10.070) 10.108 8.867 ( 1.454 9.846 5.961) 11.602 9.415 ( -5.057 0.785 -9.019) 10.369 9.715 ( -15.095 4.119 -4.966) 16.415 9.824 ( 3.260 -5.633 -0.588) 6.535 9.948 ( 10.270 -1.778 -0.540) 10.436 10.078 ( 2.553 3.514 -9.391) 10.347 10.336 ( 12.742 -3.721 6.839) 14.933 10.840 ( 15.010 1.533 -8.532) 17.333 11.256 ( -10.194 -2.731 3.009) 10.974 11.370 ( -8.765 -4.386 -1.313) 9.889 11.618 ( 1.566 0.337 -2.674) 3.118 11.734 ( 0.835 2.223 -1.710) 2.927 12.173 ( -15.930 -7.727 6.044) 18.709 12.696 ( 5.836 -1.505 4.198) 7.345 13.168 ( -18.859 10.010 -4.257) 21.771 13.428 ( -2.033 2.106 -8.065) 8.580 14.781 ( -7.331 -5.894 24.664) 26.397 15.795 ( 0.666 -8.190 -29.049) 30.189 ======================= Grid point 465 (231/312) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 1.910 -5.966 22.714) 23.562 3.146 ( 14.084 -4.684 0.663) 14.857 3.440 ( 11.571 -6.512 2.648) 13.539 4.219 ( 1.316 4.887 6.272) 8.059 4.362 ( -3.318 6.495 7.576) 10.516 4.508 ( -1.005 6.973 -0.245) 7.049 4.770 ( -6.560 1.570 -9.277) 11.470 5.151 ( -2.783 -1.978 6.435) 7.285 5.412 ( -2.095 1.174 -14.589) 14.785 5.602 ( -2.157 -2.233 -0.189) 3.110 6.305 ( 10.733 -6.691 3.677) 13.172 6.690 ( 10.972 -5.609 -9.128) 15.335 7.061 ( 0.183 10.934 5.944) 12.447 7.276 ( 4.381 1.723 -5.345) 7.123 7.914 ( 4.189 -1.413 13.551) 14.254 8.173 ( -9.016 -0.702 8.709) 12.555 8.296 ( 0.591 4.960 5.081) 7.125 8.594 ( 6.083 -2.139 0.337) 6.456 8.938 ( 4.638 9.027 2.222) 10.389 9.294 ( -13.624 0.918 6.326) 15.049 9.369 ( -9.741 11.500 -13.051) 19.937 9.822 ( -1.080 -3.508 -4.546) 5.843 10.180 ( 11.311 -2.836 0.653) 11.680 10.275 ( 12.993 -0.469 3.050) 13.355 10.575 ( 7.875 -4.834 9.407) 13.186 10.999 ( -0.666 -3.241 -1.275) 3.545 11.110 ( -12.157 -4.910 -4.063) 13.726 11.212 ( 7.154 -0.626 -8.971) 11.491 11.536 ( -12.750 -2.425 11.719) 17.486 11.749 ( -0.268 2.836 2.189) 3.593 11.992 ( 1.390 0.676 -5.514) 5.726 12.659 ( -14.589 13.135 -13.739) 23.961 12.943 ( 1.777 -2.471 8.542) 9.068 13.401 ( -1.215 1.714 -8.802) 9.049 14.652 ( -5.226 -7.054 27.706) 29.063 15.796 ( -0.267 -8.889 -32.088) 33.297 ======================= Grid point 466 (232/312) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 0.127 -5.814 24.476) 25.158 3.304 ( 0.793 -5.514 -4.323) 7.052 3.576 ( 0.940 -7.549 1.598) 7.774 4.230 ( 0.234 14.206 24.844) 28.620 4.306 ( -0.284 -4.243 -3.758) 5.675 4.568 ( 3.225 7.597 -17.369) 19.230 4.636 ( -3.671 3.859 1.068) 5.432 5.120 ( -0.330 -2.593 4.264) 5.001 5.388 ( -0.102 4.274 -12.076) 12.810 5.578 ( -0.001 -3.619 -3.299) 4.897 6.429 ( -0.132 -9.550 7.086) 11.892 6.798 ( -0.958 -13.200 -7.954) 15.441 7.058 ( 0.245 11.843 6.749) 13.633 7.320 ( 0.105 3.500 -6.713) 7.571 7.978 ( 3.912 2.707 11.343) 12.300 8.053 ( -2.166 -1.092 5.124) 5.670 8.316 ( 0.169 7.171 11.595) 13.634 8.729 ( 1.899 -2.144 -8.329) 8.808 8.982 ( -9.692 2.275 3.866) 10.680 9.047 ( 8.129 5.872 -0.758) 10.057 9.302 ( -1.211 13.430 -2.802) 13.773 9.813 ( 0.304 -3.280 -5.993) 6.839 10.322 ( -0.993 -3.419 8.054) 8.806 10.473 ( 0.144 0.600 13.452) 13.466 10.562 ( -0.679 -4.649 2.708) 5.423 10.925 ( 0.842 -5.553 -9.925) 11.404 11.160 ( -11.741 -4.189 -3.950) 13.076 11.188 ( 10.097 -5.627 -1.110) 11.613 11.364 ( 0.467 -2.044 13.061) 13.228 11.752 ( 0.376 -0.177 0.336) 0.534 12.073 ( -0.313 11.667 -4.185) 12.399 12.431 ( 0.390 11.859 -20.356) 23.561 12.992 ( -0.369 -1.494 9.880) 9.999 13.384 ( 0.109 0.075 -9.690) 9.691 14.594 ( -0.321 -7.298 29.171) 30.072 15.789 ( -0.207 -9.093 -32.822) 34.059 ======================= Grid point 467 (233/312) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( -1.432 -5.855 22.591) 23.381 3.174 ( -12.928 -4.800 -1.044) 13.830 3.471 ( -10.462 -6.978 1.470) 12.661 4.226 ( -1.116 6.454 8.691) 10.883 4.368 ( 4.567 3.731 4.897) 7.666 4.514 ( -0.930 8.196 -2.093) 8.510 4.738 ( 6.800 1.732 -6.867) 9.818 5.140 ( 2.351 -2.388 6.314) 7.149 5.408 ( 1.933 1.661 -13.498) 13.737 5.602 ( 2.178 -2.345 -0.477) 3.235 6.301 ( -10.880 -6.276 4.178) 13.236 6.664 ( -11.454 -4.478 -7.731) 14.527 7.065 ( -0.275 10.178 5.357) 11.505 7.278 ( -4.335 1.549 -5.703) 7.329 7.995 ( -3.785 -2.375 9.156) 10.188 8.140 ( 8.766 -1.438 10.926) 14.081 8.317 ( 1.867 7.853 7.193) 10.812 8.604 ( -7.336 -4.370 0.399) 8.548 8.912 ( -2.812 7.338 -1.320) 7.969 9.306 ( 3.603 6.640 1.931) 7.798 9.338 ( 17.610 8.618 -6.491) 20.652 9.831 ( 1.349 -3.686 -6.033) 7.198 10.161 ( -11.318 -3.154 2.535) 12.019 10.268 ( -13.478 -0.837 3.317) 13.906 10.549 ( -9.234 -4.174 11.765) 15.528 10.989 ( -0.055 -3.096 -0.988) 3.250 11.120 ( 13.993 -4.881 -4.695) 15.546 11.191 ( -7.494 1.091 -8.201) 11.163 11.542 ( 10.795 -3.724 9.989) 15.172 11.764 ( 0.712 3.393 1.951) 3.978 11.992 ( -0.428 0.047 -5.269) 5.287 12.660 ( 13.948 12.820 -13.174) 23.075 12.932 ( -1.908 -2.391 8.741) 9.260 13.400 ( 0.826 1.837 -8.756) 8.985 14.643 ( 4.855 -7.038 27.680) 28.970 15.788 ( 0.091 -8.745 -31.350) 32.547 ======================= Grid point 468 (234/312) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -21.615 -3.960 4.029) 22.341 3.027 ( -4.001 -5.767 13.695) 15.389 3.215 ( -13.671 -4.978 8.338) 16.769 4.174 ( -3.500 3.430 -11.138) 12.168 4.446 ( 3.427 12.561 23.556) 26.915 4.573 ( 4.951 3.336 4.580) 7.525 4.850 ( 4.696 -1.132 -9.806) 10.932 5.215 ( 5.015 -2.430 9.854) 11.320 5.448 ( 1.652 -4.052 -14.756) 15.391 5.637 ( 0.039 -2.478 7.267) 7.678 6.109 ( -5.219 2.771 -4.495) 7.424 6.386 ( -15.190 5.088 -9.253) 18.500 7.024 ( -4.857 9.192 4.588) 11.363 7.146 ( -8.710 0.903 -3.438) 9.408 7.831 ( -10.934 -2.850 13.576) 17.663 8.303 ( 6.743 -2.315 5.762) 9.167 8.418 ( 4.509 3.588 2.356) 6.225 8.529 ( 1.225 -2.431 9.135) 9.532 8.855 ( -1.446 8.991 3.310) 9.690 9.384 ( 5.076 3.438 -8.244) 10.274 9.705 ( 13.811 3.419 -3.099) 14.562 9.836 ( -3.301 -6.321 -1.030) 7.205 9.954 ( -7.657 -1.709 -1.987) 8.093 10.049 ( -3.654 3.104 -6.088) 7.750 10.303 ( -12.393 -2.776 8.895) 15.505 10.815 ( -14.837 1.825 -8.131) 17.017 11.258 ( 10.222 -2.911 0.537) 10.642 11.379 ( 8.768 -3.990 0.742) 9.662 11.612 ( -0.869 0.322 -2.337) 2.515 11.734 ( -1.712 2.601 -2.314) 3.879 12.189 ( 15.832 -8.223 5.327) 18.618 12.681 ( -6.123 -1.748 5.209) 8.227 13.157 ( 18.415 10.454 -3.580) 21.476 13.412 ( 1.070 1.998 -7.836) 8.157 14.771 ( 7.389 -5.831 24.436) 26.186 15.786 ( -0.351 -7.975 -28.011) 29.126 ======================= Grid point 469 (235/312) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -25.107 -1.878 10.236) 27.178 2.838 ( -14.133 -6.869 -15.306) 21.937 3.038 ( -4.322 -1.461 33.459) 33.768 4.104 ( -3.427 4.478 -17.847) 18.717 4.507 ( 2.465 10.002 32.763) 34.344 4.655 ( 2.698 3.908 7.361) 8.760 4.953 ( 6.585 -1.691 -9.169) 11.414 5.315 ( 3.733 -6.764 8.360) 11.383 5.459 ( 0.513 -5.824 -6.044) 8.409 5.612 ( -0.747 -1.112 6.434) 6.572 6.056 ( -9.647 7.851 -5.568) 13.627 6.187 ( 3.929 11.157 -13.850) 18.214 6.817 ( -15.963 4.793 7.360) 18.219 6.966 ( -9.208 6.509 -2.739) 11.604 7.639 ( -7.317 -0.860 15.406) 17.077 8.347 ( -2.408 -3.651 -18.226) 18.744 8.462 ( 2.711 4.039 17.576) 18.236 8.637 ( 5.945 -0.903 15.767) 16.875 8.900 ( 5.857 8.604 3.355) 10.936 9.466 ( 0.868 1.340 -13.233) 13.329 9.645 ( -11.734 -2.047 -0.755) 11.935 9.719 ( -2.644 -6.450 -3.968) 8.021 9.985 ( 3.935 -2.910 -4.447) 6.613 10.098 ( -5.947 -1.533 4.208) 7.445 10.247 ( 16.492 6.865 -2.085) 17.985 10.524 ( -13.505 2.258 -9.479) 16.653 11.355 ( -8.063 -4.441 -3.477) 9.840 11.462 ( 7.959 -5.069 6.688) 11.566 11.546 ( -4.695 1.885 -3.736) 6.289 11.844 ( 10.524 -3.323 -6.753) 12.939 12.440 ( 5.831 -5.018 5.261) 9.320 12.597 ( -0.055 -1.932 5.111) 5.464 13.431 ( 7.638 1.660 -3.660) 8.631 13.545 ( 13.651 6.713 -3.207) 15.547 14.917 ( 6.731 -3.930 21.260) 22.644 15.765 ( -1.695 -6.849 -23.059) 24.114 ======================= Grid point 470 (236/312) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -19.979 0.537 17.341) 26.461 2.575 ( -10.746 -5.148 -19.020) 22.444 2.973 ( -2.619 -0.368 33.427) 33.531 4.040 ( -2.576 4.246 -19.947) 20.555 4.542 ( 0.916 6.862 33.356) 34.067 4.683 ( 0.586 3.911 9.418) 10.215 5.118 ( 9.264 0.205 -5.958) 11.016 5.339 ( -0.274 -10.730 -0.864) 10.768 5.509 ( 1.953 -5.255 -2.504) 6.140 5.624 ( 2.136 3.252 10.695) 11.380 5.884 ( -3.639 8.322 -3.624) 9.779 6.343 ( 6.163 9.995 -7.486) 13.926 6.448 ( -17.470 6.949 9.318) 20.984 6.780 ( -8.767 9.605 -5.232) 14.018 7.545 ( -2.718 -0.511 14.932) 15.186 8.288 ( -2.581 -3.138 -23.339) 23.690 8.503 ( 1.332 4.260 19.690) 20.190 8.722 ( 2.326 0.070 16.251) 16.417 9.048 ( 8.165 7.689 2.501) 11.491 9.398 ( -6.194 0.975 -11.428) 13.035 9.427 ( -8.154 1.837 -3.363) 9.010 9.775 ( 5.310 -7.621 -8.935) 12.888 9.947 ( -2.730 -1.694 2.100) 3.838 10.127 ( 2.067 -3.244 -3.630) 5.289 10.307 ( -6.413 1.220 -3.504) 7.409 10.572 ( 14.992 3.271 -2.906) 15.618 11.136 ( -12.375 -5.697 -2.493) 13.850 11.432 ( -4.624 1.962 -11.229) 12.301 11.611 ( 5.011 -6.784 11.292) 14.094 12.034 ( 7.304 -8.922 -8.484) 14.315 12.458 ( -0.127 3.948 4.614) 6.074 12.625 ( -0.227 -1.504 -2.429) 2.866 13.619 ( 10.751 -2.864 -1.356) 11.209 13.766 ( 7.049 4.028 -1.137) 8.198 15.026 ( 3.933 -2.139 19.030) 19.549 15.721 ( -2.394 -5.372 -17.205) 18.183 ======================= Grid point 471 (237/312) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -1.323 2.501 17.538) 17.765 2.338 ( -0.551 -7.469 -16.950) 18.531 2.939 ( -0.839 0.178 31.813) 31.825 4.072 ( 0.327 -0.023 -24.665) 24.667 4.678 ( -0.144 6.745 15.317) 16.737 4.757 ( 0.282 1.879 3.894) 4.333 5.143 ( 0.166 -3.068 8.666) 9.195 5.358 ( 0.240 7.166 -2.719) 7.668 5.502 ( 0.209 1.316 2.712) 3.022 5.624 ( -0.669 -2.268 -3.495) 4.220 6.076 ( 0.247 9.318 17.754) 20.053 6.352 ( 0.075 14.952 15.504) 21.540 6.748 ( -0.010 15.222 -5.097) 16.053 6.918 ( 0.090 14.568 -8.851) 17.046 7.507 ( -0.499 -0.005 12.085) 12.095 8.162 ( -0.571 -6.345 -22.378) 23.267 8.642 ( 0.618 8.132 18.994) 20.670 8.743 ( -0.422 0.029 24.141) 24.144 9.299 ( 1.312 4.092 -5.928) 7.322 9.378 ( -1.305 9.010 -12.031) 15.088 9.435 ( 0.601 5.169 -6.972) 8.700 9.658 ( -0.107 -9.625 -5.475) 11.074 9.921 ( -0.773 -3.838 -7.626) 8.572 10.002 ( 0.587 -4.315 -4.557) 6.303 10.282 ( 0.463 -2.592 8.116) 8.533 10.675 ( -0.732 -6.996 -11.658) 13.616 10.910 ( 1.262 -2.615 8.439) 8.925 11.393 ( -0.282 -0.718 -15.857) 15.875 11.478 ( -0.038 -10.281 10.567) 14.743 11.837 ( -0.023 -15.847 -8.042) 17.771 12.581 ( -0.031 5.846 1.328) 5.995 12.633 ( -0.102 1.827 -1.871) 2.617 13.751 ( 0.915 -1.264 -0.171) 1.570 13.789 ( 0.253 -1.736 -2.346) 2.929 15.037 ( -0.033 -1.553 14.656) 14.738 15.573 ( -0.166 -7.449 -12.898) 14.895 ======================= Grid point 472 (238/312) ======================= q-point: ( 0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 15.732 1.018 15.292) 21.963 2.420 ( 8.390 -7.982 -14.941) 18.904 2.937 ( 0.560 -0.647 32.079) 32.091 4.104 ( 2.566 -0.907 -24.797) 24.946 4.684 ( 0.683 7.562 14.319) 16.207 4.766 ( 0.590 3.053 5.644) 6.444 5.080 ( -6.033 -0.863 10.058) 11.761 5.285 ( -4.795 1.983 -4.862) 7.111 5.466 ( -2.442 0.155 -0.892) 2.604 5.690 ( 1.047 5.997 11.973) 13.432 6.043 ( 3.975 7.616 3.260) 9.189 6.529 ( 6.436 11.105 7.936) 15.090 6.654 ( -1.473 12.222 -4.068) 12.965 7.021 ( 7.691 13.983 -3.925) 16.434 7.515 ( 1.451 -0.068 12.777) 12.860 8.175 ( 1.686 -5.937 -20.180) 21.102 8.645 ( -0.603 7.603 18.076) 19.619 8.706 ( -3.205 0.437 24.135) 24.350 9.235 ( -6.569 8.665 -6.111) 12.473 9.422 ( 5.111 2.888 -9.412) 11.093 9.511 ( 5.329 3.765 -9.913) 11.868 9.596 ( -4.485 -8.062 -5.680) 10.834 9.884 ( 2.595 -5.073 0.469) 5.717 10.058 ( -2.128 -4.768 -5.680) 7.715 10.324 ( 7.787 -0.870 -2.628) 8.265 10.620 ( -7.291 0.839 1.977) 7.600 11.024 ( 10.632 -7.185 -4.919) 13.743 11.444 ( 0.681 -3.453 -0.344) 3.536 11.458 ( 1.892 -5.454 0.249) 5.778 11.790 ( -4.796 -15.190 -7.159) 17.464 12.549 ( -2.938 4.557 2.389) 5.925 12.601 ( -3.417 -0.004 -0.728) 3.493 13.600 ( -8.441 -1.847 -2.495) 8.994 13.852 ( -0.837 3.033 -1.457) 3.467 14.976 ( -5.890 -2.890 15.836) 17.141 15.575 ( 0.358 -9.044 -15.646) 18.076 ======================= Grid point 473 (239/312) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 22.177 -2.483 9.391) 24.211 2.639 ( 12.675 -9.498 -10.758) 19.147 2.967 ( 2.570 -2.259 31.469) 31.654 4.149 ( 1.558 -3.078 -23.693) 23.943 4.702 ( 0.876 9.248 10.041) 13.679 4.768 ( -1.461 6.959 11.155) 13.229 4.947 ( -5.680 1.850 5.326) 8.003 5.225 ( -1.401 -2.542 -2.511) 3.838 5.416 ( -2.196 -1.214 -3.672) 4.448 5.641 ( -3.372 7.322 18.793) 20.449 6.244 ( 12.072 8.907 -4.323) 15.613 6.402 ( -8.664 11.270 -11.461) 18.260 6.851 ( 11.763 -0.514 5.186) 12.866 7.182 ( 7.577 13.316 -1.368) 15.381 7.577 ( 5.149 -1.055 13.789) 14.757 8.210 ( 1.237 -4.967 -15.079) 15.924 8.589 ( -5.325 3.193 18.283) 19.309 8.653 ( -1.831 5.873 19.374) 20.327 9.088 ( -6.349 7.851 -2.065) 10.306 9.475 ( -3.658 -4.714 -9.552) 11.263 9.560 ( 8.053 -1.455 -6.755) 10.611 9.690 ( 8.827 3.048 -4.095) 10.196 9.939 ( -3.025 -3.207 -4.895) 6.588 10.050 ( 8.406 -4.157 1.079) 9.439 10.369 ( -12.389 2.816 -0.964) 12.742 10.584 ( 12.402 1.972 -7.658) 14.708 11.229 ( 5.008 -9.628 1.402) 10.942 11.375 ( -2.967 -2.820 2.544) 4.820 11.589 ( 8.258 2.125 -3.102) 9.074 11.653 ( -7.796 -14.192 -6.816) 17.569 12.430 ( -11.100 4.316 4.522) 12.739 12.533 ( -0.864 -5.567 2.828) 6.304 13.484 ( -2.732 0.813 -4.490) 5.319 13.728 ( -11.381 9.604 -2.903) 15.172 14.820 ( -9.448 -6.444 18.914) 22.102 15.581 ( 0.117 -12.171 -21.453) 24.665 ======================= Grid point 474 (240/312) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 20.175 -5.845 3.702) 21.328 2.859 ( 7.553 -8.924 4.380) 12.484 3.071 ( 8.928 -5.711 18.572) 21.383 4.165 ( 0.439 -5.922 -20.645) 21.482 4.660 ( -5.889 5.820 5.373) 9.871 4.735 ( -0.130 16.401 14.420) 21.839 4.885 ( -1.774 3.054 -3.268) 4.811 5.189 ( -2.989 -1.221 0.510) 3.269 5.390 ( -0.287 -3.400 -6.016) 6.916 5.610 ( -0.033 2.587 19.031) 19.206 6.227 ( -4.790 8.078 -7.592) 12.076 6.480 ( 7.139 2.351 -8.958) 11.694 7.073 ( 10.837 -3.024 0.540) 11.265 7.293 ( 3.594 12.089 -0.281) 12.615 7.723 ( 8.949 -1.996 12.660) 15.631 8.211 ( -0.686 -2.524 -6.620) 7.118 8.470 ( -5.714 4.674 12.851) 14.820 8.621 ( -1.156 7.378 14.870) 16.640 9.037 ( 0.894 6.989 1.168) 7.142 9.418 ( -2.509 -1.206 -6.426) 7.003 9.697 ( 3.804 -4.060 -4.564) 7.196 9.799 ( -5.486 2.199 -5.663) 8.186 9.928 ( 9.757 -0.032 0.752) 9.786 10.136 ( -6.693 2.328 -7.150) 10.067 10.288 ( 13.506 -1.322 3.853) 14.107 10.837 ( 10.151 -2.814 -7.927) 13.183 11.147 ( -6.746 -10.237 11.503) 16.812 11.281 ( -11.079 -0.930 -3.189) 11.566 11.572 ( 0.432 -7.466 -7.336) 10.476 11.798 ( 11.740 5.468 -3.728) 13.477 12.132 ( -17.273 3.953 7.163) 19.112 12.594 ( 7.100 -8.165 4.954) 11.900 13.422 ( -18.187 15.260 -6.508) 24.617 13.470 ( -0.317 2.397 -5.364) 5.884 14.622 ( -9.782 -10.528 22.940) 27.069 15.574 ( -0.705 -14.644 -26.561) 30.339 ======================= Grid point 475 (241/312) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 2.741 -7.603 18.818) 20.480 3.026 ( 12.230 -7.523 -0.316) 14.362 3.281 ( 9.888 -9.591 3.524) 14.219 4.171 ( 0.267 -8.990 -16.777) 19.036 4.550 ( -4.356 9.231 7.622) 12.739 4.724 ( -0.857 14.285 -0.697) 14.328 4.840 ( -2.907 7.131 0.785) 7.741 5.119 ( -3.124 -0.351 -0.300) 3.158 5.413 ( 2.733 -2.262 -2.290) 4.222 5.585 ( -3.324 2.038 12.380) 12.979 6.213 ( 2.795 -2.588 -3.224) 4.990 6.535 ( -0.811 -9.935 -7.177) 12.283 7.248 ( 4.927 6.410 -0.629) 8.109 7.356 ( 3.922 7.900 -1.247) 8.908 7.897 ( 7.642 -0.001 11.234) 13.587 8.182 ( -2.973 3.240 4.821) 6.525 8.430 ( 2.983 7.576 3.881) 9.020 8.623 ( 2.089 4.902 9.317) 10.733 9.061 ( -0.878 2.694 1.890) 3.406 9.325 ( -7.994 2.771 -3.821) 9.284 9.600 ( -5.925 10.819 -9.925) 15.832 9.744 ( -0.673 -3.918 0.329) 3.988 10.124 ( 6.633 -3.803 -2.569) 8.066 10.229 ( 15.048 -2.705 0.384) 15.294 10.492 ( 2.587 -5.047 10.022) 11.516 10.882 ( -3.779 -10.115 -5.024) 11.909 11.017 ( -7.351 1.384 -0.878) 7.532 11.176 ( 5.701 -4.379 2.285) 7.543 11.543 ( -7.317 -0.492 -0.805) 7.378 11.753 ( -12.506 0.424 4.388) 13.260 12.105 ( 14.688 10.416 -5.200) 18.742 12.784 ( 9.619 -3.708 5.281) 11.583 13.033 ( -18.759 14.802 -8.983) 25.528 13.437 ( -3.663 2.040 -6.769) 7.962 14.461 ( -5.874 -12.638 26.591) 30.022 15.555 ( -0.973 -16.123 -29.798) 33.894 ======================= Grid point 476 (242/312) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 0.133 -7.306 22.367) 23.530 3.166 ( 0.652 -8.590 -4.586) 9.759 3.397 ( 0.617 -10.847 0.659) 10.885 4.177 ( 0.472 -10.316 -13.976) 17.377 4.503 ( -0.268 11.507 7.677) 13.836 4.718 ( 0.219 7.201 -15.222) 16.841 4.792 ( -0.613 14.130 11.337) 18.126 5.084 ( -0.351 -0.585 -0.860) 1.097 5.489 ( 2.217 -4.570 5.487) 7.477 5.499 ( -2.318 6.609 2.587) 7.466 6.263 ( 0.067 -7.521 1.127) 7.605 6.507 ( -0.259 -15.785 -7.299) 17.393 7.284 ( 0.123 10.992 2.184) 11.207 7.411 ( -0.147 5.936 -4.570) 7.492 8.015 ( 3.212 1.024 8.733) 9.361 8.112 ( -2.165 7.888 8.984) 12.150 8.496 ( 1.265 11.441 10.295) 15.443 8.710 ( 0.230 -0.852 -6.507) 6.567 8.947 ( -2.762 -2.276 8.911) 9.602 9.243 ( 1.604 10.248 -9.610) 14.140 9.558 ( -0.385 11.945 -6.079) 13.408 9.733 ( 0.070 -4.624 -0.368) 4.639 10.216 ( -1.429 -7.992 3.928) 9.019 10.444 ( 0.537 -10.118 7.699) 12.725 10.494 ( -0.811 2.423 8.699) 9.067 10.677 ( 0.893 -11.285 -13.169) 17.366 11.167 ( -1.458 3.020 -1.111) 3.532 11.253 ( -1.657 8.041 -4.566) 9.394 11.272 ( 2.471 -6.163 15.466) 16.831 11.671 ( 0.551 -7.453 -2.502) 7.881 12.336 ( -0.371 15.067 -0.951) 15.102 12.717 ( 0.177 16.898 -18.822) 25.295 12.952 ( -0.550 -2.519 11.581) 11.864 13.375 ( 0.351 -1.314 -9.418) 9.516 14.401 ( -0.327 -12.549 28.080) 30.759 15.542 ( -0.109 -16.585 -30.774) 34.959 ======================= Grid point 477 (243/312) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -1.973 -7.586 18.381) 19.983 3.049 ( -11.449 -7.977 -1.913) 14.085 3.303 ( -9.060 -10.118 3.092) 13.929 4.187 ( 0.320 -9.189 -17.358) 19.643 4.539 ( 3.842 9.814 7.632) 13.013 4.728 ( 1.014 12.327 -4.328) 13.104 4.823 ( 2.376 9.013 4.898) 10.530 5.107 ( 2.680 0.040 0.270) 2.694 5.416 ( -2.867 -1.895 -1.958) 3.956 5.581 ( 3.492 1.623 12.092) 12.691 6.214 ( -2.849 -2.382 -2.619) 4.544 6.527 ( 0.592 -9.301 -7.014) 11.665 7.258 ( -4.320 7.352 -0.467) 8.541 7.345 ( -4.619 7.029 -1.545) 8.552 7.951 ( -7.502 -1.639 8.192) 11.229 8.169 ( 4.868 4.922 6.884) 9.763 8.481 ( -2.192 8.007 4.036) 9.231 8.589 ( -3.630 3.132 8.447) 9.713 9.021 ( 1.891 3.312 0.668) 3.871 9.360 ( 7.507 2.510 -3.482) 8.648 9.585 ( 5.594 11.733 -8.911) 15.759 9.744 ( 0.448 -4.609 0.010) 4.630 10.095 ( -6.718 -4.119 -0.804) 7.921 10.224 ( -15.327 -2.252 0.324) 15.495 10.482 ( -3.831 -4.060 10.855) 12.206 10.891 ( 2.444 -10.144 -5.943) 12.008 11.011 ( 9.023 1.218 -0.480) 9.117 11.172 ( -5.587 -4.091 2.967) 7.533 11.539 ( 7.388 -0.164 -1.042) 7.463 11.773 ( 12.598 0.132 3.600) 13.103 12.099 ( -14.734 10.399 -5.118) 18.746 12.769 ( -10.061 -4.074 6.176) 12.489 13.033 ( 18.602 14.760 -9.027) 25.404 13.439 ( 3.155 2.311 -6.823) 7.864 14.453 ( 5.571 -12.627 26.574) 29.944 15.550 ( 0.941 -15.893 -29.229) 33.283 ======================= Grid point 478 (244/312) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -19.251 -6.162 1.673) 20.283 2.876 ( -6.972 -9.600 3.459) 12.359 3.103 ( -8.746 -6.087 17.598) 20.573 4.181 ( -0.820 -5.524 -22.035) 22.732 4.643 ( 5.825 6.081 6.285) 10.508 4.742 ( -0.013 15.326 12.734) 19.926 4.862 ( 1.954 3.343 -1.786) 4.264 5.173 ( 3.023 -0.489 1.340) 3.343 5.389 ( 0.064 -2.830 -4.935) 5.689 5.614 ( 0.530 2.265 18.195) 18.343 6.226 ( 4.639 8.306 -6.518) 11.532 6.469 ( -7.079 2.957 -8.869) 11.727 7.081 ( -11.170 -2.992 -0.019) 11.564 7.281 ( -3.368 12.119 -0.011) 12.578 7.770 ( -9.535 -2.984 10.112) 14.215 8.247 ( 2.577 -1.944 -5.453) 6.336 8.490 ( 3.147 3.778 9.957) 11.105 8.588 ( 2.356 7.381 16.640) 18.355 9.014 ( -0.533 6.966 0.209) 6.990 9.436 ( 1.994 0.610 -6.971) 7.276 9.691 ( -3.541 -5.019 -3.497) 7.068 9.783 ( 4.441 2.426 -4.621) 6.853 9.930 ( -8.882 -0.390 0.057) 8.891 10.104 ( 6.769 2.445 -4.739) 8.617 10.273 ( -13.001 -0.542 5.040) 13.954 10.821 ( -10.408 -2.099 -8.054) 13.327 11.163 ( 6.449 -10.231 10.621) 16.096 11.274 ( 10.797 -1.307 -2.377) 11.132 11.578 ( 0.170 -6.843 -7.779) 10.362 11.798 ( -11.845 5.112 -3.772) 13.441 12.141 ( 17.326 3.872 6.782) 19.005 12.577 ( -6.977 -8.086 5.704) 12.108 13.415 ( 17.995 14.357 -5.806) 23.742 13.455 ( -0.927 3.396 -5.015) 6.127 14.614 ( 9.888 -10.405 22.560) 26.739 15.570 ( 1.022 -14.311 -25.767) 29.492 ======================= Grid point 479 (245/312) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -22.174 -3.003 6.962) 23.434 2.665 ( -12.553 -10.604 -12.035) 20.368 3.002 ( -2.663 -2.016 30.728) 30.909 4.151 ( -2.231 -2.455 -24.827) 25.048 4.708 ( -0.415 8.159 8.214) 11.585 4.747 ( 0.937 6.734 12.573) 14.294 4.937 ( 6.258 1.922 5.846) 8.777 5.211 ( 1.557 -1.666 -1.918) 2.980 5.412 ( 2.204 -0.550 -2.015) 3.037 5.654 ( 3.671 7.197 18.120) 19.839 6.231 ( -12.024 9.210 -4.090) 15.688 6.403 ( 8.793 11.375 -11.195) 18.222 6.851 ( -12.321 -0.540 5.249) 13.404 7.176 ( -7.207 13.535 -1.573) 15.414 7.612 ( -5.893 -1.915 11.943) 13.455 8.254 ( -1.874 -5.407 -16.617) 17.574 8.566 ( 3.757 6.145 18.312) 19.677 8.655 ( 3.545 3.093 20.211) 20.752 9.067 ( 6.358 7.872 -2.570) 10.440 9.483 ( 2.756 -1.361 -11.002) 11.423 9.567 ( -7.016 -3.992 -6.286) 10.231 9.676 ( -8.339 3.370 -1.711) 9.155 9.929 ( 2.498 -3.305 -4.392) 6.037 10.046 ( -7.647 -3.470 1.428) 8.518 10.351 ( 13.185 2.654 0.466) 13.457 10.569 ( -12.229 2.241 -8.057) 14.815 11.226 ( -6.583 -9.722 0.778) 11.767 11.371 ( 3.904 -3.003 3.513) 6.050 11.592 ( -8.016 1.662 -3.195) 8.788 11.663 ( 7.569 -13.734 -7.026) 17.183 12.440 ( 11.088 4.531 4.114) 12.665 12.522 ( 1.292 -5.458 3.338) 6.527 13.454 ( 2.381 0.994 -3.384) 4.255 13.711 ( 11.108 9.864 -2.098) 15.003 14.816 ( 9.618 -6.339 18.362) 21.676 15.583 ( 0.271 -11.935 -20.900) 24.069 ======================= Grid point 480 (246/312) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -17.272 0.495 13.256) 21.779 2.439 ( -9.027 -8.699 -15.777) 20.152 2.963 ( -1.597 -0.382 31.594) 31.636 4.098 ( -2.542 -0.632 -25.193) 25.329 4.689 ( -0.974 7.597 14.823) 16.684 4.753 ( 0.086 2.564 4.836) 5.475 5.075 ( 6.082 -1.691 9.792) 11.651 5.276 ( 5.198 3.024 -4.136) 7.299 5.463 ( 2.510 0.500 -0.014) 2.559 5.707 ( -1.357 6.113 11.714) 13.283 6.031 ( -3.616 7.717 3.379) 9.168 6.533 ( -7.532 10.762 8.509) 15.652 6.646 ( 2.630 12.392 -4.345) 13.392 7.020 ( -7.624 14.297 -4.426) 16.796 7.534 ( -2.384 -0.664 11.965) 12.219 8.199 ( -2.814 -6.107 -21.186) 22.228 8.620 ( 1.651 7.962 19.406) 21.041 8.720 ( 2.568 0.224 23.219) 23.362 9.215 ( 6.668 8.117 -6.445) 12.324 9.435 ( -4.499 2.868 -12.263) 13.374 9.494 ( -4.827 5.094 -5.377) 8.841 9.609 ( 3.622 -8.158 -5.774) 10.631 9.887 ( -1.959 -4.604 -0.060) 5.004 10.051 ( 2.321 -4.677 -5.457) 7.552 10.314 ( -7.749 -0.678 -2.156) 8.072 10.621 ( 8.568 0.666 1.953) 8.813 11.004 ( -11.158 -7.725 -4.455) 14.284 11.447 ( 0.984 -5.233 3.598) 6.427 11.462 ( -3.608 -3.838 -3.750) 6.466 11.793 ( 4.561 -14.933 -7.161) 17.178 12.550 ( 2.857 4.104 2.082) 5.417 12.604 ( 3.482 0.634 -0.657) 3.600 13.577 ( 9.310 -1.578 -1.464) 9.556 13.836 ( 1.338 3.310 -0.755) 3.649 14.975 ( 5.926 -2.881 15.479) 16.824 15.581 ( -0.375 -9.007 -15.527) 17.955 ======================= Grid point 481 (247/312) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -0.829 2.856 10.993) 11.388 2.181 ( -0.161 -8.642 -12.589) 15.271 2.965 ( -0.889 3.096 23.042) 23.267 3.944 ( 0.108 -13.278 -25.886) 29.093 4.787 ( -0.058 4.450 4.397) 6.256 4.799 ( 0.360 4.157 4.046) 5.812 5.214 ( 0.311 8.304 12.684) 15.164 5.462 ( 0.177 2.339 -0.841) 2.492 5.556 ( 0.354 4.452 0.595) 4.506 5.577 ( -1.050 -2.283 -2.374) 3.457 6.344 ( 0.162 18.464 23.082) 29.559 6.666 ( 0.042 17.355 14.658) 22.717 7.014 ( 0.089 11.843 -1.120) 11.896 7.179 ( -0.218 12.089 -5.214) 13.167 7.507 ( -0.179 -0.230 8.128) 8.133 8.015 ( -0.495 -9.183 -17.795) 20.031 8.784 ( -0.359 5.293 21.707) 22.346 8.828 ( 0.451 11.368 17.280) 20.690 9.380 ( 0.655 4.116 -3.355) 5.350 9.461 ( 0.548 2.298 -13.391) 13.597 9.494 ( -0.678 -6.532 -3.737) 7.556 9.576 ( -0.495 4.724 -5.616) 7.355 9.817 ( -1.138 -7.059 -6.769) 9.846 9.927 ( 0.935 -2.496 -8.380) 8.794 10.192 ( 0.307 -6.836 7.577) 10.209 10.516 ( -0.255 -9.808 -10.365) 14.273 10.824 ( 0.984 -6.468 6.898) 9.507 11.296 ( 0.433 -11.108 -16.300) 19.730 11.339 ( -0.593 -3.163 6.229) 7.011 11.578 ( -0.045 -8.915 -5.337) 10.391 12.671 ( 1.843 2.559 0.708) 3.233 12.684 ( -2.048 4.303 0.931) 4.856 13.729 ( 1.156 -0.907 -0.193) 1.482 13.757 ( -0.393 -1.595 -1.697) 2.362 15.019 ( -0.018 -0.097 9.175) 9.175 15.418 ( -0.152 -8.546 -11.029) 13.954 ======================= Grid point 482 (248/312) ======================= q-point: ( 0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 13.084 1.766 9.101) 16.036 2.257 ( 7.534 -8.662 -11.262) 16.082 2.948 ( -0.700 2.471 23.230) 23.371 3.950 ( 0.336 -14.612 -25.887) 29.728 4.811 ( 2.323 5.851 4.395) 7.678 4.830 ( 2.609 4.086 4.205) 6.418 5.145 ( -5.562 6.112 11.231) 13.944 5.335 ( -6.721 3.087 0.254) 7.400 5.517 ( -3.579 4.415 -0.749) 5.732 5.795 ( 12.664 3.150 3.960) 13.637 6.253 ( -3.832 15.789 17.039) 23.543 6.765 ( 5.478 12.519 10.286) 17.104 6.873 ( -11.366 10.511 -4.370) 16.086 7.262 ( 6.503 10.076 -0.245) 11.995 7.514 ( 0.924 -0.032 7.489) 7.546 8.041 ( 3.084 -8.061 -15.715) 17.929 8.740 ( -3.802 5.060 21.272) 22.194 8.833 ( -0.087 11.223 17.017) 20.385 9.349 ( -7.841 2.280 -3.975) 9.082 9.415 ( -1.733 -2.468 -6.974) 7.598 9.500 ( 2.579 0.651 -11.683) 11.982 9.654 ( 6.614 7.380 -3.524) 10.519 9.760 ( 2.788 -7.879 -0.766) 8.392 9.956 ( -2.572 -5.935 -6.337) 9.055 10.295 ( 10.075 -1.729 -3.149) 10.696 10.552 ( -0.703 -8.154 2.797) 8.649 10.885 ( 7.611 -7.227 -7.229) 12.744 11.249 ( -3.580 -14.697 -1.412) 15.192 11.409 ( 5.186 -2.164 -1.794) 5.899 11.580 ( 0.596 -4.891 -4.891) 6.942 12.568 ( -7.815 -0.548 -0.078) 7.834 12.674 ( -3.000 5.235 2.276) 6.449 13.573 ( -6.985 -1.092 -1.715) 7.275 13.901 ( 4.998 2.063 -0.410) 5.423 14.932 ( -8.471 -1.273 10.098) 13.242 15.387 ( -2.754 -10.420 -13.225) 17.060 ======================= Grid point 483 (249/312) ======================= q-point: ( 0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 18.694 -1.405 4.408) 19.257 2.457 ( 11.824 -9.156 -8.481) 17.192 2.945 ( 0.464 0.672 22.592) 22.607 3.946 ( -0.713 -16.630 -25.569) 30.510 4.863 ( 1.845 8.336 3.240) 9.132 4.897 ( 3.835 5.523 4.427) 8.050 5.037 ( -4.928 6.101 13.125) 15.290 5.233 ( -2.741 2.827 -1.283) 4.142 5.419 ( -5.823 1.589 -2.261) 6.446 5.873 ( -4.421 15.021 19.889) 25.313 6.377 ( 13.303 5.361 -2.365) 14.536 6.614 ( -12.847 9.513 -3.234) 16.310 6.827 ( 1.602 -0.902 1.676) 2.488 7.404 ( 6.863 8.732 0.447) 11.115 7.558 ( 4.155 -0.475 8.625) 9.586 8.120 ( 4.376 -4.819 -12.930) 14.477 8.650 ( -4.881 4.988 19.603) 20.808 8.825 ( -0.754 11.421 16.542) 20.116 9.167 ( -7.116 0.444 -1.657) 7.319 9.414 ( 0.067 0.556 -7.009) 7.032 9.570 ( 4.298 -0.077 -8.215) 9.272 9.780 ( 6.688 5.405 -0.122) 8.600 9.870 ( -1.374 -3.989 -4.624) 6.259 9.969 ( 12.404 -3.860 -1.484) 13.075 10.371 ( -7.939 -1.524 -0.663) 8.111 10.584 ( 9.474 -2.812 -7.202) 12.229 11.022 ( -1.471 -11.167 -2.098) 11.458 11.225 ( 5.920 -16.847 -4.177) 18.339 11.467 ( -1.301 1.465 1.711) 2.601 11.655 ( 8.698 2.892 -2.468) 9.493 12.415 ( -5.776 -6.410 -0.438) 8.640 12.543 ( -10.487 6.376 4.116) 12.944 13.497 ( -0.488 0.769 -2.137) 2.323 13.910 ( -4.488 8.971 -1.241) 10.107 14.699 ( -14.366 -5.378 13.311) 20.310 15.321 ( -3.453 -14.706 -18.382) 23.792 ======================= Grid point 484 (250/312) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 17.318 -4.658 -0.056) 17.933 2.688 ( 10.204 -8.536 -2.601) 13.555 2.981 ( 3.766 -2.786 17.479) 18.096 3.923 ( -1.313 -17.862 -24.367) 30.241 4.817 ( -5.622 10.120 6.044) 13.060 4.971 ( 1.427 5.161 2.456) 5.891 4.988 ( 0.508 8.749 5.155) 10.167 5.214 ( -0.782 3.633 -0.499) 3.749 5.328 ( -1.513 -2.416 0.391) 2.878 5.753 ( -6.073 11.423 19.245) 23.189 6.342 ( -10.605 1.379 -8.318) 13.548 6.520 ( -4.924 3.432 -1.588) 6.208 7.000 ( 16.941 -3.739 -1.390) 17.405 7.495 ( 2.370 8.630 0.309) 8.955 7.702 ( 9.915 -0.258 8.981) 13.380 8.209 ( 4.866 0.870 -10.150) 11.290 8.560 ( -3.899 5.549 16.990) 18.293 8.808 ( -0.989 11.965 15.510) 19.613 9.089 ( -1.687 -1.086 0.516) 2.072 9.409 ( -0.497 1.656 -8.039) 8.222 9.653 ( 3.618 -2.091 -4.243) 5.956 9.801 ( -3.281 -1.968 -4.251) 5.719 9.963 ( 10.233 3.625 1.516) 10.961 10.162 ( -10.130 0.496 -6.286) 11.933 10.272 ( 14.587 -0.724 3.409) 14.998 10.701 ( -1.128 -10.743 -9.553) 14.421 10.963 ( 2.679 -7.513 7.230) 10.765 11.333 ( -8.794 1.243 -1.440) 8.997 11.375 ( 2.617 -7.420 -4.745) 9.188 11.925 ( 17.437 6.942 -2.561) 18.942 12.259 ( -17.508 7.573 6.200) 20.058 12.417 ( 7.076 -9.765 1.783) 12.191 13.508 ( -1.175 2.349 -1.221) 2.896 13.734 ( -11.893 16.652 -7.378) 21.752 14.398 ( -14.549 -12.364 19.554) 27.329 15.255 ( -3.054 -18.466 -23.195) 29.805 ======================= Grid point 485 (251/312) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 3.918 -4.887 8.522) 10.576 2.877 ( 10.531 -7.660 -2.302) 13.224 3.103 ( 7.065 -8.228 4.350) 11.685 3.901 ( -0.693 -18.418 -22.829) 29.340 4.713 ( -4.100 8.315 5.237) 10.647 4.894 ( -5.423 5.609 -5.213) 9.383 5.050 ( 2.930 7.989 3.066) 9.045 5.174 ( -3.171 6.141 0.759) 6.953 5.365 ( 3.607 0.250 9.876) 10.517 5.669 ( -2.043 5.863 13.267) 14.648 6.181 ( -5.006 -2.353 -7.195) 9.076 6.352 ( -9.314 -7.783 -4.815) 13.058 7.329 ( 12.942 3.108 -1.045) 13.351 7.525 ( 1.110 8.688 1.954) 8.974 7.913 ( 10.077 1.463 8.692) 13.388 8.307 ( 3.636 8.438 -4.150) 10.082 8.527 ( 2.284 2.519 9.277) 9.881 8.789 ( -1.005 12.183 13.622) 18.303 9.034 ( -5.357 -3.677 1.971) 6.790 9.396 ( -0.689 3.685 -8.942) 9.696 9.692 ( -0.564 -1.738 1.477) 2.350 9.728 ( -2.708 1.881 -6.852) 7.604 10.033 ( -1.708 -4.662 -7.558) 9.043 10.179 ( 7.602 -6.297 -1.331) 9.961 10.372 ( -0.524 -3.201 8.087) 8.714 10.791 ( 7.411 0.563 -1.837) 7.656 11.064 ( 3.013 -5.677 4.076) 7.610 11.094 ( -4.748 4.968 2.227) 7.224 11.428 ( 1.318 -9.869 -8.039) 12.797 11.848 ( -21.792 7.543 5.924) 23.809 12.326 ( 20.389 11.690 -3.933) 23.829 12.668 ( 16.167 -6.961 7.460) 19.118 13.310 ( -17.414 10.289 -6.574) 21.268 13.516 ( -11.268 9.110 -8.475) 16.786 14.193 ( -5.159 -14.771 24.094) 28.728 15.201 ( -2.200 -20.661 -26.397) 33.594 ======================= Grid point 486 (252/312) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 0.137 -4.109 13.033) 13.666 2.996 ( 0.382 -8.716 -5.181) 10.147 3.189 ( 0.347 -10.165 0.004) 10.171 3.898 ( 0.439 -18.513 -22.022) 28.773 4.670 ( -0.083 7.322 4.028) 8.357 4.827 ( -0.169 4.478 -6.772) 8.120 5.099 ( -2.103 2.986 1.274) 3.868 5.109 ( 1.728 13.656 2.577) 14.004 5.416 ( 0.580 -0.468 16.672) 16.689 5.652 ( -0.635 8.335 6.597) 10.648 6.142 ( 0.268 -5.361 -3.640) 6.486 6.235 ( -0.065 -12.442 -8.498) 15.067 7.461 ( 0.706 7.764 2.511) 8.190 7.539 ( -0.531 7.267 -0.712) 7.321 8.043 ( 1.109 1.718 8.008) 8.264 8.320 ( -0.262 13.271 5.905) 14.528 8.644 ( 2.339 -5.218 -2.967) 6.442 8.749 ( -2.226 13.048 8.201) 15.571 8.923 ( -0.544 0.244 7.959) 7.981 9.390 ( 0.378 4.783 -9.787) 10.899 9.667 ( -0.201 -1.610 3.194) 3.583 9.710 ( -0.079 3.241 -7.607) 8.269 10.041 ( -1.249 -9.631 -2.864) 10.126 10.161 ( 0.837 -15.666 -0.735) 15.706 10.576 ( -1.690 5.512 5.444) 7.929 10.613 ( 1.655 1.732 -1.912) 3.065 11.116 ( 0.001 -6.551 4.612) 8.012 11.303 ( -1.172 7.763 8.924) 11.886 11.381 ( 0.021 2.218 -6.947) 7.293 11.517 ( 1.355 -5.846 -1.035) 6.090 12.624 ( -0.078 15.015 1.472) 15.087 12.907 ( -1.030 -1.827 13.089) 13.256 13.024 ( -0.041 13.430 -16.701) 21.431 13.333 ( 0.766 -2.609 -8.028) 8.476 14.154 ( -0.330 -11.768 23.798) 26.551 15.176 ( 0.010 -21.415 -27.608) 34.940 ======================= Grid point 487 (253/312) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -3.088 -5.002 7.890) 9.839 2.889 ( -10.472 -8.354 -3.583) 13.867 3.117 ( -6.318 -8.406 4.608) 11.481 3.916 ( 1.345 -18.319 -23.241) 29.624 4.709 ( 3.871 8.424 5.034) 10.550 4.886 ( 5.030 6.074 -4.799) 9.232 5.038 ( -3.126 7.631 3.151) 8.828 5.172 ( 2.972 5.815 0.667) 6.564 5.380 ( -3.605 1.356 9.625) 10.367 5.657 ( 2.302 5.659 13.631) 14.937 6.186 ( 5.083 -2.090 -6.855) 8.786 6.350 ( 9.202 -7.704 -4.884) 12.957 7.342 ( -13.018 3.057 -1.659) 13.475 7.517 ( -0.871 9.240 2.398) 9.586 7.943 ( -9.516 0.694 6.638) 11.623 8.317 ( -2.028 9.123 -2.671) 9.720 8.543 ( -3.312 0.375 7.755) 8.441 8.765 ( 0.752 13.261 13.770) 19.132 9.022 ( 5.462 -2.304 2.388) 6.391 9.407 ( 1.050 2.312 -9.231) 9.574 9.684 ( 0.337 -1.811 2.019) 2.733 9.723 ( 2.346 2.126 -6.779) 7.482 10.011 ( 1.555 -3.848 -6.518) 7.728 10.182 ( -8.299 -5.656 -1.419) 10.143 10.372 ( 0.676 -3.612 8.124) 8.917 10.792 ( -7.700 0.299 -1.888) 7.934 11.060 ( -2.255 -4.864 4.029) 6.706 11.092 ( 4.395 4.301 2.893) 6.795 11.432 ( -0.872 -9.665 -8.381) 12.823 11.861 ( 21.765 7.430 5.361) 23.615 12.321 ( -20.635 11.852 -3.797) 24.098 12.652 ( -16.285 -6.851 7.976) 19.384 13.301 ( 16.891 9.867 -6.224) 20.528 13.527 ( 11.049 9.492 -8.851) 17.044 14.184 ( 4.939 -14.793 24.214) 28.802 15.200 ( 2.336 -20.437 -26.044) 33.187 ======================= Grid point 488 (254/312) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -16.870 -5.636 -1.222) 17.828 2.688 ( -9.979 -9.420 -3.571) 14.180 3.011 ( -3.143 -2.697 16.891) 17.391 3.943 ( 1.312 -17.660 -25.344) 30.918 4.809 ( 5.281 10.579 5.975) 13.248 4.954 ( -1.557 5.291 2.948) 6.254 4.979 ( -0.432 8.443 5.141) 9.894 5.215 ( 1.002 4.068 -0.517) 4.222 5.336 ( 1.112 -2.155 0.496) 2.475 5.753 ( 6.663 11.558 19.611) 23.719 6.347 ( 10.562 1.737 -8.109) 13.429 6.513 ( 4.546 3.371 -1.368) 5.823 7.010 ( -17.183 -3.628 -1.963) 17.671 7.494 ( -1.959 9.522 0.496) 9.734 7.733 ( -10.340 -0.886 6.850) 12.435 8.239 ( -4.473 -0.323 -10.776) 11.672 8.567 ( 3.865 5.280 16.347) 17.608 8.781 ( 0.907 12.463 16.718) 20.873 9.086 ( 2.178 0.492 0.327) 2.257 9.421 ( 0.330 0.045 -8.653) 8.659 9.644 ( -3.493 -1.756 -3.558) 5.286 9.793 ( 3.303 -1.699 -4.023) 5.475 9.961 ( -10.373 3.555 1.536) 11.072 10.140 ( 9.864 1.368 -5.137) 11.205 10.267 ( -14.093 -0.362 4.242) 14.722 10.701 ( 0.725 -10.120 -10.161) 14.359 10.963 ( -2.567 -8.382 7.536) 11.561 11.332 ( 10.516 4.172 1.189) 11.375 11.379 ( -4.538 -10.421 -7.518) 13.628 11.920 ( -17.541 6.694 -1.949) 18.875 12.270 ( 17.633 7.852 5.729) 20.134 12.404 ( -6.680 -9.482 2.020) 11.773 13.491 ( 0.825 2.479 -0.874) 2.755 13.731 ( 11.081 16.669 -6.592) 21.073 14.393 ( 14.776 -12.143 18.913) 26.898 15.258 ( 3.355 -18.158 -22.706) 29.267 ======================= Grid point 489 (255/312) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -18.822 -2.731 3.118) 19.273 2.461 ( -11.620 -10.191 -9.123) 17.948 2.983 ( -0.453 0.796 21.557) 21.577 3.958 ( 0.175 -16.248 -26.711) 31.265 4.855 ( -1.299 8.432 3.269) 9.137 4.878 ( -3.909 5.736 5.125) 8.629 5.030 ( 4.770 6.224 12.751) 14.969 5.235 ( 2.774 3.183 -0.979) 4.334 5.422 ( 5.696 1.600 -2.060) 6.265 5.886 ( 5.045 15.238 20.344) 25.914 6.369 ( -13.913 5.515 -2.475) 15.169 6.612 ( 12.993 9.262 -3.241) 16.282 6.828 ( -2.077 -0.738 1.725) 2.799 7.413 ( -6.515 10.147 -0.956) 12.096 7.575 ( -4.883 -1.561 8.164) 9.640 8.149 ( -4.646 -6.004 -13.796) 15.746 8.659 ( 4.913 5.332 18.318) 19.700 8.802 ( 1.013 11.562 18.180) 21.569 9.167 ( 6.856 2.322 -1.929) 7.491 9.423 ( 0.037 -1.139 -7.713) 7.797 9.565 ( -4.161 0.114 -7.674) 8.730 9.781 ( -6.889 6.163 0.839) 9.282 9.857 ( 1.668 -4.083 -4.981) 6.653 9.972 ( -11.753 -3.969 -0.871) 12.436 10.357 ( 8.521 -0.968 0.067) 8.576 10.577 ( -9.702 -2.216 -7.555) 12.495 11.012 ( 0.179 -11.614 -1.731) 11.744 11.231 ( -5.838 -16.654 -3.672) 18.025 11.461 ( 1.589 0.826 1.679) 2.455 11.655 ( -8.289 2.482 -2.348) 8.965 12.408 ( 6.013 -6.043 -0.283) 8.530 12.556 ( 10.484 6.484 3.539) 12.825 13.474 ( 0.459 1.215 -1.269) 1.816 13.897 ( 4.306 9.197 -0.528) 10.169 14.698 ( 14.441 -5.204 12.632) 19.880 15.328 ( 3.638 -14.523 -18.035) 23.440 ======================= Grid point 490 (256/312) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -14.165 0.722 7.997) 16.282 2.263 ( -7.599 -9.386 -11.602) 16.747 2.977 ( -0.410 2.474 22.578) 22.717 3.951 ( -0.582 -14.198 -26.533) 30.099 4.810 ( -2.121 4.287 3.994) 6.231 4.817 ( -2.115 5.804 4.842) 7.849 5.136 ( 5.644 6.142 11.102) 13.886 5.338 ( 6.621 3.203 0.594) 7.379 5.518 ( 3.475 4.434 -0.645) 5.670 5.811 ( -13.295 2.887 3.264) 13.991 6.244 ( 4.362 16.115 17.975) 24.532 6.763 ( -5.645 12.163 10.090) 16.781 6.870 ( 11.591 10.903 -4.126) 16.440 7.270 ( -6.793 10.661 -1.460) 12.726 7.521 ( -1.341 -0.519 7.499) 7.636 8.060 ( -3.804 -8.475 -16.299) 18.760 8.749 ( 3.544 5.272 20.176) 21.153 8.818 ( 0.582 11.289 18.220) 21.442 9.329 ( 6.521 3.735 -4.283) 8.650 9.437 ( 2.359 -3.738 -7.276) 8.514 9.494 ( -2.338 0.811 -11.064) 11.338 9.659 ( -5.977 7.616 -2.818) 10.083 9.769 ( -2.559 -7.832 -1.162) 8.321 9.950 ( 2.577 -5.862 -6.741) 9.298 10.287 ( -10.053 -1.807 -2.172) 10.443 10.554 ( 1.520 -7.848 2.521) 8.382 10.860 ( -7.702 -7.143 -6.785) 12.505 11.249 ( 3.187 -14.635 -0.550) 14.988 11.413 ( -4.800 -2.590 -2.172) 5.871 11.582 ( -0.644 -5.153 -5.091) 7.272 12.563 ( 7.725 -0.493 0.022) 7.741 12.686 ( 2.858 5.317 1.799) 6.299 13.556 ( 7.591 -0.660 -0.999) 7.685 13.891 ( -4.565 2.372 0.029) 5.145 14.932 ( 8.453 -1.231 9.751) 12.964 15.393 ( 2.607 -10.413 -13.130) 16.959 ======================= Grid point 491 (257/312) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -0.203 4.009 4.097) 5.735 2.023 ( 0.127 -7.784 -7.795) 11.017 3.076 ( -0.767 8.960 8.980) 12.709 3.630 ( -0.176 -18.001 -17.968) 25.435 4.866 ( 0.076 3.497 3.560) 4.991 4.876 ( -0.005 3.137 3.095) 4.407 5.378 ( 1.175 6.904 6.964) 9.877 5.465 ( -0.758 -0.963 -0.981) 1.570 5.556 ( -0.444 0.990 0.987) 1.467 5.632 ( 0.062 2.178 2.186) 3.087 6.722 ( 0.065 19.521 19.544) 27.623 6.969 ( 0.103 12.757 12.742) 18.031 7.172 ( -0.014 4.774 4.798) 6.768 7.341 ( -0.387 3.149 3.166) 4.482 7.508 ( -0.287 2.056 2.082) 2.940 7.819 ( -0.246 -10.982 -10.980) 15.531 8.963 ( -0.262 13.221 13.310) 18.762 9.066 ( 0.266 13.108 13.144) 18.565 9.425 ( 0.488 -1.088 1.058) 1.594 9.436 ( -0.850 0.546 -1.164) 1.541 9.466 ( 0.053 -3.119 -3.477) 4.671 9.583 ( 0.099 -1.180 -1.242) 1.716 9.669 ( -0.363 -6.804 -6.815) 9.637 9.873 ( -0.044 -7.814 -7.883) 11.100 10.068 ( 0.643 -2.332 -2.361) 3.380 10.310 ( -0.181 -11.206 -11.244) 15.875 10.734 ( 0.491 -0.869 -0.865) 1.320 11.029 ( 0.173 -14.129 -14.127) 19.981 11.346 ( 0.017 2.742 2.735) 3.873 11.478 ( 0.050 -3.575 -3.623) 5.090 12.717 ( 1.532 2.289 2.327) 3.606 12.745 ( -1.759 1.809 1.758) 3.076 13.717 ( 1.614 -0.313 -0.314) 1.674 13.731 ( -1.235 -1.045 -1.054) 1.931 15.042 ( -0.043 2.758 2.775) 3.913 15.259 ( -0.122 -7.952 -7.970) 11.259 ======================= Grid point 492 (258/312) ======================= q-point: ( 0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 10.890 3.104 2.716) 11.645 2.104 ( 7.728 -7.235 -7.398) 12.914 3.052 ( -1.583 8.797 9.077) 12.739 3.618 ( -0.983 -18.649 -18.052) 25.974 4.897 ( 2.797 2.950 3.601) 5.431 4.904 ( 2.799 3.235 2.923) 5.181 5.233 ( -6.496 2.200 1.888) 7.113 5.437 ( -4.882 7.571 7.534) 11.744 5.590 ( -4.398 2.141 2.005) 5.286 5.809 ( 18.759 -0.723 -0.484) 18.779 6.597 ( -9.248 18.129 17.925) 27.120 6.928 ( -8.319 3.499 3.833) 9.806 7.064 ( -8.055 8.629 8.220) 14.384 7.376 ( 3.881 2.666 3.323) 5.763 7.522 ( 1.661 0.686 1.431) 2.298 7.878 ( 5.588 -8.265 -8.512) 13.114 8.912 ( -4.379 12.715 12.964) 18.679 9.070 ( -0.060 12.898 12.795) 18.168 9.325 ( -8.982 -1.670 -1.675) 9.288 9.433 ( 0.322 -0.618 1.408) 1.571 9.478 ( 1.467 -3.882 -4.415) 6.059 9.617 ( 5.398 -4.547 -5.546) 8.976 9.762 ( 9.405 3.504 1.810) 10.199 9.831 ( -2.759 -7.367 -6.214) 10.025 10.252 ( 13.235 -3.846 -3.766) 14.287 10.381 ( 3.539 -6.609 -6.688) 10.047 10.753 ( 3.433 -6.186 -5.693) 9.081 10.960 ( -6.032 -12.431 -13.220) 19.123 11.423 ( 6.576 2.715 2.512) 7.545 11.529 ( 5.120 -2.077 -2.262) 5.971 12.560 ( -11.828 -0.252 -0.225) 11.833 12.756 ( -2.126 3.142 3.358) 5.067 13.558 ( -5.758 -0.463 -0.506) 5.799 13.930 ( 9.046 0.974 1.008) 9.154 14.942 ( -9.933 2.558 2.757) 10.621 15.193 ( -6.167 -9.641 -9.707) 15.007 ======================= Grid point 493 (259/312) ======================= q-point: ( 0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 15.690 0.459 -0.263) 15.699 2.307 ( 12.013 -6.396 -6.490) 15.078 3.020 ( -1.443 7.791 8.441) 11.577 3.590 ( -1.772 -19.446 -18.628) 26.987 4.968 ( 4.050 2.745 3.365) 5.938 4.979 ( 4.280 2.781 2.720) 5.784 5.156 ( -2.586 5.449 5.120) 7.912 5.315 ( -5.409 5.642 5.643) 9.641 5.457 ( -8.728 1.376 1.201) 8.917 6.112 ( 4.417 8.087 8.098) 12.268 6.490 ( 0.910 7.232 7.461) 10.431 6.676 ( -9.762 -1.796 -1.516) 10.041 6.876 ( -11.615 4.311 3.921) 12.995 7.500 ( 8.578 2.543 2.835) 9.386 7.569 ( 2.825 0.992 2.262) 3.752 8.011 ( 7.332 -6.305 -6.626) 11.723 8.814 ( -4.944 11.993 12.300) 17.876 9.064 ( -0.445 12.862 12.800) 18.151 9.160 ( -6.536 -0.875 -0.869) 6.652 9.435 ( -0.177 -0.566 0.110) 0.603 9.524 ( 2.980 -4.537 -4.388) 6.979 9.777 ( -1.784 -5.187 -5.013) 7.431 9.845 ( 15.135 1.023 0.183) 15.171 9.960 ( 10.118 3.020 2.324) 10.812 10.336 ( -7.325 -1.653 -1.192) 7.604 10.486 ( 7.802 -6.750 -6.169) 12.021 10.832 ( -4.634 -8.404 -8.193) 12.618 10.920 ( 11.362 -11.803 -12.905) 20.855 11.558 ( 5.128 5.880 5.749) 9.691 11.694 ( 12.060 0.891 0.173) 12.094 12.304 ( -11.633 -4.734 -4.384) 13.302 12.644 ( -9.316 3.861 4.143) 10.902 13.516 ( 1.457 1.111 1.008) 2.091 14.043 ( 1.580 4.415 4.363) 6.406 14.657 ( -18.343 2.107 2.433) 18.623 15.039 ( -8.375 -14.547 -14.597) 22.245 ======================= Grid point 494 (260/312) ======================= q-point: ( 0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 14.898 -2.202 -3.117) 15.379 2.551 ( 11.782 -5.498 -5.235) 14.016 3.002 ( -0.133 5.743 6.520) 8.690 3.552 ( -1.833 -19.908 -19.241) 27.748 4.998 ( -5.152 7.178 7.107) 11.339 5.048 ( 1.401 2.390 2.991) 4.077 5.090 ( 0.380 4.420 4.307) 6.183 5.269 ( -8.590 -0.695 -0.521) 8.634 5.327 ( 6.029 3.287 3.004) 7.495 5.984 ( -11.168 11.183 11.132) 19.331 6.289 ( -13.559 -4.618 -4.248) 14.941 6.593 ( -15.061 2.498 2.225) 15.428 6.948 ( 22.823 -1.534 -1.174) 22.905 7.629 ( 3.263 5.063 4.283) 7.391 7.712 ( 12.113 2.041 4.104) 12.951 8.163 ( 7.987 -6.159 -6.514) 12.007 8.726 ( -3.961 11.869 12.085) 17.395 9.055 ( -0.718 11.130 12.800) 16.977 9.064 ( -3.510 0.686 -1.189) 3.769 9.428 ( -0.406 -1.330 -1.221) 1.850 9.588 ( 3.303 -4.366 -4.067) 6.820 9.742 ( -1.706 -3.701 -3.698) 5.503 10.036 ( 4.008 3.398 2.864) 5.984 10.147 ( -10.535 -2.525 -2.260) 11.066 10.273 ( 15.368 2.010 1.695) 15.592 10.505 ( 2.302 -8.701 -8.476) 12.364 10.875 ( 6.739 -1.285 -1.525) 7.028 11.120 ( 7.817 -11.800 -11.904) 18.494 11.497 ( -12.847 8.042 7.871) 17.079 12.025 ( 21.128 2.431 1.392) 21.313 12.247 ( 7.305 -6.226 -5.418) 11.021 12.386 ( -15.755 4.603 4.921) 17.135 13.568 ( 0.878 4.059 3.940) 5.725 14.000 ( -3.865 5.466 4.767) 8.219 14.229 ( -24.281 1.206 2.044) 24.396 14.890 ( -6.180 -19.497 -19.514) 28.269 ======================= Grid point 495 (261/312) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 6.660 -2.358 -3.082) 7.708 2.754 ( 9.293 -4.814 -4.238) 11.291 3.024 ( 2.272 1.626 1.935) 3.399 3.522 ( -0.952 -20.127 -19.782) 28.237 4.861 ( -6.043 6.878 6.873) 11.449 4.970 ( -7.058 2.025 2.103) 7.638 5.127 ( 1.432 2.193 1.947) 3.263 5.203 ( 0.657 -1.588 -1.122) 2.052 5.487 ( 8.028 7.936 8.079) 13.881 5.793 ( -5.623 7.014 6.980) 11.382 6.079 ( -6.968 -7.290 -7.065) 12.313 6.281 ( -15.441 -0.882 -1.006) 15.499 7.373 ( 17.686 1.502 1.743) 17.835 7.680 ( 1.217 7.140 6.936) 10.028 7.953 ( 10.916 3.224 4.307) 12.170 8.330 ( 8.541 -7.539 -7.751) 13.779 8.655 ( -3.229 12.119 12.117) 17.439 8.982 ( -4.801 -1.528 -1.410) 5.232 9.050 ( -0.129 13.652 13.291) 19.054 9.420 ( -0.315 -1.978 -2.082) 2.889 9.648 ( 2.456 -3.470 -3.315) 5.391 9.703 ( -2.208 -2.360 -2.319) 3.978 9.956 ( -7.535 -5.475 -4.349) 10.279 10.011 ( -5.632 -5.689 -6.965) 10.611 10.406 ( 8.784 3.526 3.454) 10.075 10.836 ( 15.176 2.656 2.365) 15.587 10.990 ( 4.255 -0.710 -0.617) 4.358 11.190 ( -9.350 4.071 3.943) 10.934 11.227 ( 3.301 -10.191 -10.136) 14.747 11.977 ( -22.759 5.137 5.435) 23.956 12.504 ( 25.819 3.618 1.481) 26.113 12.563 ( 19.601 -0.784 1.308) 19.660 13.418 ( -15.655 4.725 4.834) 17.052 13.714 ( -26.727 0.998 0.035) 26.745 14.006 ( 3.973 3.343 4.077) 6.602 14.790 ( -3.830 -21.871 -21.872) 31.167 ======================= Grid point 496 (262/312) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 0.085 -0.227 -0.315) 0.398 2.855 ( 0.085 -5.621 -5.637) 7.961 3.061 ( 0.344 -1.393 -1.345) 1.967 3.516 ( 0.523 -20.202 -20.210) 28.580 4.795 ( -0.123 5.712 5.723) 8.086 4.886 ( -0.029 1.490 1.499) 2.114 5.137 ( -0.252 1.945 2.051) 2.838 5.214 ( -0.116 -1.038 -1.198) 1.590 5.564 ( 0.923 12.800 12.944) 18.227 5.791 ( -0.837 5.468 5.471) 7.780 6.036 ( 0.834 -8.337 -8.279) 11.779 6.051 ( -0.427 -4.486 -4.470) 6.347 7.589 ( 0.898 5.926 5.945) 8.442 7.664 ( -0.613 4.748 4.759) 6.750 8.085 ( 0.802 3.683 3.706) 5.286 8.446 ( 0.389 -10.106 -10.124) 14.310 8.614 ( -0.150 12.414 12.439) 17.574 8.907 ( -0.330 0.528 0.498) 0.798 9.048 ( -0.254 13.722 13.740) 19.420 9.417 ( -0.032 -2.310 -2.362) 3.304 9.663 ( -0.364 0.200 0.255) 0.487 9.684 ( 0.167 -4.262 -4.318) 6.070 9.876 ( -0.124 -6.671 -6.685) 9.444 9.937 ( 0.031 -7.610 -7.541) 10.713 10.667 ( -15.800 3.321 3.432) 16.506 10.673 ( 15.669 3.570 3.410) 16.429 11.040 ( 0.110 -0.565 -0.594) 0.827 11.260 ( 0.149 -9.566 -9.576) 13.536 11.451 ( -3.368 6.882 6.902) 10.312 11.534 ( 3.451 2.544 2.502) 4.964 12.901 ( 0.068 10.912 9.698) 14.598 12.904 ( -0.711 5.042 6.275) 8.081 13.111 ( -0.285 -4.231 -4.308) 6.045 13.305 ( 0.455 -2.795 -2.765) 3.958 14.061 ( -0.125 5.064 5.073) 7.169 14.748 ( 0.103 -23.047 -23.037) 32.586 ======================= Grid point 497 (263/312) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -6.875 -3.481 -2.733) 8.177 2.757 ( -9.159 -4.575 -5.240) 11.501 3.041 ( -1.274 1.965 1.709) 2.899 3.540 ( 1.743 -19.959 -20.307) 28.527 4.857 ( 5.952 6.848 6.872) 11.382 4.968 ( 6.885 2.135 2.059) 7.497 5.119 ( -1.676 2.180 2.453) 3.685 5.200 ( -0.705 -1.036 -1.531) 1.978 5.503 ( -8.672 7.203 7.132) 13.340 5.786 ( 6.556 7.604 7.730) 12.671 6.088 ( 7.221 -7.140 -7.299) 12.506 6.279 ( 15.255 -0.951 -0.815) 15.306 7.385 ( -17.609 1.409 1.196) 17.706 7.679 ( -0.861 7.257 7.492) 10.466 7.978 ( -10.165 3.486 2.412) 11.014 8.337 ( -8.520 -8.155 -8.005) 14.254 8.654 ( 3.434 12.066 12.162) 17.473 8.978 ( 5.119 -1.267 -1.486) 5.478 9.041 ( -0.305 13.707 14.229) 19.759 9.419 ( 0.205 -2.177 -2.109) 3.038 9.645 ( -2.280 -2.864 -2.999) 4.732 9.700 ( 1.944 -2.449 -2.511) 4.010 9.951 ( 7.347 -4.237 -5.354) 10.030 10.010 ( 5.410 -6.966 -5.703) 10.503 10.403 ( -8.403 3.548 3.627) 9.817 10.833 ( -15.562 2.378 2.632) 15.961 10.990 ( -4.769 -0.510 -0.655) 4.840 11.188 ( 9.963 4.161 4.236) 11.598 11.232 ( -3.086 -10.307 -10.388) 14.956 11.990 ( 22.857 5.201 4.887) 23.945 12.494 ( -26.074 1.932 3.794) 26.420 12.559 ( -19.753 1.247 -0.594) 19.801 13.410 ( 15.237 4.847 4.724) 16.673 13.718 ( 26.669 -0.183 0.776) 26.681 14.002 ( -4.126 4.314 3.578) 6.959 14.793 ( 4.086 -21.731 -21.717) 30.993 ======================= Grid point 498 (264/312) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -14.638 -4.248 -2.444) 15.436 2.546 ( -12.061 -5.017 -6.011) 14.380 3.036 ( 0.734 5.985 5.244) 7.991 3.578 ( 1.973 -19.514 -20.133) 28.107 4.995 ( 5.230 7.199 7.257) 11.482 5.040 ( -1.614 3.306 2.714) 4.571 5.080 ( -0.380 4.416 4.536) 6.342 5.268 ( 8.676 -0.710 -0.742) 8.737 5.332 ( -6.376 2.650 2.863) 7.475 5.990 ( 11.563 11.361 11.349) 19.788 6.299 ( 13.422 -4.263 -4.681) 14.840 6.586 ( 14.702 2.546 2.806) 15.183 6.959 ( -22.939 -1.542 -1.874) 23.067 7.636 ( -2.920 4.632 5.439) 7.718 7.744 ( -12.134 3.079 1.096) 12.566 8.169 ( -8.014 -7.089 -6.761) 12.656 8.732 ( 4.211 11.709 11.561) 16.985 9.041 ( 0.303 14.096 13.594) 19.585 9.070 ( 4.358 -2.012 -1.178) 4.943 9.424 ( 0.258 -1.489 -1.451) 2.095 9.588 ( -3.157 -3.701 -4.088) 6.354 9.738 ( 1.773 -3.524 -3.568) 5.319 10.028 ( -4.139 2.848 3.396) 6.064 10.141 ( 10.674 -2.031 -2.324) 11.111 10.274 ( -16.131 2.212 2.559) 16.482 10.510 ( -0.876 -8.612 -8.856) 12.384 10.867 ( -7.364 -1.386 -1.219) 7.592 11.125 ( -7.997 -12.174 -12.110) 18.943 11.490 ( 12.268 8.010 8.165) 16.773 12.012 ( -21.133 1.790 2.717) 21.382 12.247 ( -7.430 -5.502 -6.257) 11.164 12.398 ( 16.257 4.801 4.463) 17.529 13.554 ( -1.038 4.176 4.267) 6.060 13.994 ( 3.635 5.051 5.728) 8.458 14.232 ( 24.234 1.834 1.024) 24.325 14.897 ( 6.440 -19.302 -19.292) 28.040 ======================= Grid point 499 (265/312) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -15.669 -1.327 -0.049) 15.725 2.299 ( -11.924 -6.469 -6.653) 15.110 3.059 ( 1.258 7.686 7.102) 10.540 3.611 ( 1.323 -18.851 -19.609) 27.233 4.966 ( -4.062 3.515 2.793) 6.054 4.972 ( -4.015 3.052 3.198) 5.972 5.147 ( 2.539 5.306 5.644) 8.152 5.317 ( 5.220 5.364 5.431) 9.247 5.456 ( 8.648 1.016 1.211) 8.791 6.128 ( -4.077 7.986 7.872) 11.932 6.487 ( -1.625 7.892 7.546) 11.039 6.677 ( 9.774 -1.363 -1.710) 10.016 6.872 ( 11.393 3.715 4.033) 12.644 7.526 ( -9.005 1.570 2.166) 9.394 7.582 ( -2.658 2.938 1.040) 4.097 8.017 ( -7.255 -7.407 -7.065) 12.547 8.824 ( 4.963 11.812 11.558) 17.255 9.050 ( 0.530 13.551 13.729) 19.298 9.176 ( 6.826 -1.291 -1.291) 7.066 9.427 ( 0.102 -0.518 -0.628) 0.821 9.527 ( -2.797 -3.623 -4.267) 6.258 9.774 ( 1.883 -4.971 -5.116) 7.378 9.842 ( -14.978 0.284 1.092) 15.020 9.951 ( -10.066 2.517 3.257) 10.875 10.337 ( 7.892 -0.857 -1.306) 8.045 10.494 ( -8.908 -5.785 -6.347) 12.374 10.819 ( 5.269 -8.153 -8.527) 12.921 10.914 ( -12.154 -13.079 -11.945) 21.482 11.547 ( -4.874 5.791 5.888) 9.589 11.685 ( -11.698 0.346 0.914) 11.739 12.306 ( 11.460 -4.307 -4.613) 13.083 12.658 ( 9.264 3.843 3.529) 10.633 13.501 ( -1.307 1.481 1.549) 2.510 14.034 ( -1.530 4.596 4.668) 6.727 14.660 ( 18.293 2.291 1.962) 18.540 15.048 ( 8.355 -14.502 -14.469) 22.123 ======================= Grid point 500 (266/312) ======================= q-point: (-0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -11.148 1.990 2.661) 11.633 2.099 ( -7.470 -7.462 -7.356) 12.868 3.078 ( 0.504 8.528 8.310) 11.918 3.628 ( 0.475 -18.137 -18.679) 26.040 4.894 ( -2.745 3.688 3.301) 5.660 4.903 ( -2.622 3.106 3.165) 5.151 5.223 ( 6.461 2.090 2.418) 7.209 5.437 ( 4.907 7.341 7.438) 11.545 5.588 ( 4.435 1.877 2.051) 5.235 5.820 ( -19.066 -0.800 -1.058) 19.112 6.596 ( 9.238 18.523 18.632) 27.850 6.923 ( 8.216 3.727 3.367) 9.629 7.063 ( 8.298 8.124 8.412) 14.340 7.390 ( -4.597 2.693 2.361) 5.828 7.534 ( -2.096 1.871 1.068) 3.006 7.885 ( -5.645 -9.191 -8.923) 13.999 8.919 ( 4.102 12.582 12.434) 18.158 9.060 ( 0.366 13.245 13.452) 18.882 9.339 ( 8.368 -1.753 -1.669) 8.711 9.428 ( 0.006 0.150 -0.347) 0.378 9.482 ( -1.605 -2.981 -4.021) 5.256 9.617 ( -5.031 -5.865 -4.754) 9.073 9.758 ( -9.152 2.042 3.645) 10.061 9.831 ( 2.934 -6.350 -7.532) 10.279 10.243 ( -13.596 -3.357 -3.603) 14.460 10.389 ( -3.747 -6.745 -6.487) 10.080 10.737 ( -3.070 -5.364 -6.007) 8.619 10.956 ( 6.262 -13.003 -12.201) 18.899 11.419 ( -6.246 2.447 2.603) 7.195 11.526 ( -4.880 -2.285 -2.215) 5.826 12.556 ( 11.551 -0.175 -0.177) 11.554 12.768 ( 1.985 3.113 2.861) 4.671 13.549 ( 6.099 -0.155 -0.130) 6.103 13.925 ( -8.752 1.201 1.164) 8.911 14.943 ( 9.861 2.671 2.493) 10.516 15.198 ( 5.959 -9.715 -9.678) 14.952 ======================= Grid point 501 (267/312) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.548 0.000 -1.852) 1.931 1.901 ( -0.231 -0.000 -2.721) 2.731 3.306 ( 0.340 -0.000 -5.785) 5.795 3.308 ( -1.339 0.000 -5.779) 5.932 4.902 ( -0.207 0.000 3.528) 3.534 4.907 ( 0.096 0.000 3.230) 3.232 5.437 ( 13.830 -0.000 -0.105) 13.830 5.449 ( -13.904 0.000 -0.867) 13.931 5.615 ( 0.184 -0.000 4.980) 4.983 5.620 ( 0.141 0.000 5.043) 5.045 7.014 ( -1.582 0.000 12.057) 12.161 7.016 ( 1.671 -0.000 11.713) 11.832 7.277 ( 7.652 -0.000 10.760) 13.203 7.284 ( -7.905 0.000 10.287) 12.974 7.614 ( -7.556 -0.000 -4.601) 8.846 7.633 ( 6.806 0.000 -5.268) 8.607 9.228 ( -0.429 0.000 4.138) 4.160 9.231 ( 0.834 -0.000 4.461) 4.538 9.304 ( -3.199 0.000 8.736) 9.303 9.350 ( 3.375 0.000 6.741) 7.539 9.525 ( -9.153 -0.000 4.528) 10.211 9.555 ( 8.948 0.000 3.051) 9.454 9.665 ( -6.609 0.000 -6.346) 9.163 9.668 ( 5.907 0.000 -7.073) 9.215 10.126 ( -4.739 0.000 -11.851) 12.764 10.130 ( 4.981 -0.000 -13.251) 14.156 10.807 ( -3.892 -0.000 -9.449) 10.219 10.814 ( 4.312 0.000 -9.436) 10.375 11.406 ( 0.453 0.000 -0.344) 0.569 11.416 ( -0.227 -0.000 -0.974) 1.000 12.747 ( 5.904 0.000 2.775) 6.523 12.755 ( -6.129 0.000 2.472) 6.609 13.717 ( 10.829 -0.000 -0.546) 10.842 13.719 ( -10.608 0.000 -0.619) 10.626 15.119 ( -0.279 -0.000 -3.005) 3.018 15.132 ( 0.110 0.000 -3.585) 3.586 ======================= Grid point 503 (268/312) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 9.107 0.000 -2.930) 9.567 1.992 ( 8.888 -0.000 -2.741) 9.301 3.271 ( -2.233 -0.000 -4.897) 5.382 3.300 ( -0.983 0.000 -6.857) 6.927 4.924 ( 2.330 0.000 3.552) 4.248 4.937 ( 2.784 0.000 2.986) 4.083 5.249 ( -5.977 -0.000 -0.395) 5.990 5.555 ( -4.738 -0.000 7.404) 8.791 5.580 ( -4.411 0.000 4.908) 6.599 5.798 ( 20.082 0.000 -1.180) 20.117 6.842 ( -13.025 0.000 2.560) 13.274 6.910 ( -11.420 0.000 17.558) 20.945 7.139 ( -8.489 -0.000 12.886) 15.431 7.419 ( 5.897 0.000 4.553) 7.450 7.516 ( -1.088 -0.000 -5.699) 5.802 7.784 ( 7.867 0.000 -2.328) 8.204 9.159 ( -6.377 -0.000 6.439) 9.062 9.199 ( -4.913 0.000 3.468) 6.013 9.251 ( -1.304 0.000 5.345) 5.502 9.391 ( 2.165 0.000 1.049) 2.405 9.423 ( -1.355 0.000 9.907) 9.999 9.612 ( 4.130 0.000 -8.393) 9.354 9.715 ( 0.751 -0.000 -5.229) 5.282 9.797 ( 11.798 0.000 5.754) 13.126 10.194 ( 9.423 0.000 -3.575) 10.078 10.327 ( 11.267 0.000 -15.431) 19.107 10.689 ( -6.054 -0.000 -4.678) 7.651 10.838 ( -1.368 0.000 -17.731) 17.783 11.477 ( 6.207 0.000 0.754) 6.253 11.486 ( 7.165 -0.000 0.574) 7.187 12.558 ( -13.424 0.000 -0.237) 13.426 12.787 ( -1.756 0.000 3.863) 4.244 13.554 ( -5.190 0.000 0.112) 5.191 13.939 ( 10.348 0.000 1.748) 10.494 15.025 ( -8.807 -0.000 -3.944) 9.650 15.041 ( -9.136 0.000 -4.815) 10.327 ======================= Grid point 505 (269/312) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 13.342 0.000 -3.982) 13.924 2.222 ( 13.359 -0.000 -3.610) 13.838 3.224 ( -2.329 0.000 -5.378) 5.861 3.270 ( -1.885 -0.000 -8.163) 8.378 4.988 ( 3.849 0.000 3.356) 5.107 5.008 ( 3.884 0.000 2.764) 4.767 5.207 ( 1.274 -0.000 1.448) 1.929 5.406 ( -9.805 -0.000 8.349) 12.878 5.449 ( -8.095 0.000 3.615) 8.866 6.179 ( 12.181 0.000 0.670) 12.200 6.599 ( -18.594 -0.000 13.702) 23.098 6.633 ( -1.801 0.000 -3.756) 4.166 6.914 ( -13.673 -0.000 8.251) 15.969 7.529 ( 5.976 -0.000 3.532) 6.942 7.579 ( 6.930 -0.000 -2.930) 7.524 7.934 ( 7.034 0.000 -1.495) 7.191 9.026 ( -6.265 -0.000 6.979) 9.378 9.083 ( -5.365 0.000 1.893) 5.689 9.238 ( -0.184 -0.000 4.610) 4.614 9.402 ( -1.353 0.000 10.741) 10.826 9.457 ( 3.855 0.000 -2.756) 4.738 9.708 ( -0.595 0.000 -4.840) 4.877 9.863 ( 20.065 -0.000 -4.127) 20.485 10.003 ( 7.650 0.000 10.416) 12.924 10.345 ( -9.743 0.000 -3.373) 10.311 10.368 ( 5.198 0.000 -4.149) 6.651 10.747 ( 11.311 0.000 -12.909) 17.163 10.811 ( 0.865 0.000 -17.702) 17.723 11.633 ( 8.036 0.000 6.603) 10.401 11.692 ( 13.438 0.000 1.879) 13.568 12.255 ( -14.875 0.000 -6.656) 16.296 12.682 ( -8.903 0.000 4.123) 9.812 13.529 ( 2.661 0.000 2.640) 3.748 14.080 ( 2.255 0.000 8.720) 9.007 14.781 ( -16.434 -0.000 -7.991) 18.274 14.797 ( -12.713 0.000 -9.350) 15.781 ======================= Grid point 507 (270/312) ======================= q-point: ( 0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 13.182 0.000 -4.899) 14.063 2.490 ( 12.832 -0.000 -4.483) 13.593 3.185 ( -1.510 0.000 -7.012) 7.172 3.230 ( -1.913 -0.000 -9.322) 9.517 5.058 ( -0.629 -0.000 5.551) 5.587 5.062 ( 2.715 0.000 2.981) 4.032 5.192 ( -10.377 -0.000 7.964) 13.081 5.215 ( -3.692 0.000 2.409) 4.409 5.370 ( 5.179 0.000 0.170) 5.181 6.112 ( -11.183 0.000 -2.534) 11.467 6.229 ( -17.260 -0.000 6.085) 18.301 6.608 ( -16.163 -0.000 3.328) 16.502 6.937 ( 23.533 0.000 -0.018) 23.533 7.663 ( 6.791 0.000 8.357) 10.768 7.772 ( 12.012 -0.000 -0.421) 12.020 8.065 ( 6.392 0.000 -3.354) 7.218 8.920 ( -4.424 -0.000 7.797) 8.965 8.996 ( -3.703 0.000 0.101) 3.704 9.242 ( 0.536 -0.000 5.193) 5.220 9.369 ( -1.876 0.000 9.122) 9.312 9.535 ( 3.918 0.000 -4.547) 6.002 9.694 ( -0.801 0.000 -3.697) 3.783 10.082 ( -0.427 0.000 3.351) 3.379 10.098 ( -12.806 -0.000 0.176) 12.807 10.350 ( 26.888 -0.000 0.824) 26.900 10.374 ( -1.369 0.000 -7.700) 7.821 10.908 ( 7.330 0.000 -7.848) 10.739 10.957 ( 8.402 -0.000 -11.857) 14.532 11.591 ( -15.639 0.000 10.180) 18.661 12.022 ( 19.638 0.000 4.514) 20.150 12.201 ( 13.400 0.000 -11.436) 17.616 12.430 ( -16.170 0.000 4.487) 16.781 13.626 ( 4.990 0.000 7.170) 8.735 13.961 ( -14.854 0.000 16.688) 22.342 14.424 ( -17.736 -0.000 -14.592) 22.967 14.588 ( -7.312 0.000 -16.316) 17.879 ======================= Grid point 509 (271/312) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 8.266 0.000 -4.983) 9.652 2.707 ( 8.579 0.000 -5.643) 10.269 3.168 ( -0.164 0.000 -9.106) 9.108 3.199 ( -1.015 0.000 -10.318) 10.368 4.953 ( -6.826 0.000 6.802) 9.637 4.965 ( -8.022 -0.000 5.720) 9.852 5.149 ( 2.348 0.000 3.238) 3.999 5.183 ( -0.224 -0.000 -0.395) 0.454 5.567 ( 12.191 0.000 3.916) 12.805 5.905 ( -8.336 0.000 -2.668) 8.752 5.964 ( -8.124 0.000 -1.220) 8.215 6.275 ( -16.847 0.000 1.253) 16.893 7.387 ( 19.680 0.000 3.249) 19.946 7.755 ( 1.230 0.000 11.657) 11.722 8.028 ( 12.643 0.000 0.056) 12.643 8.190 ( 5.714 -0.000 -4.926) 7.544 8.847 ( -2.825 0.000 8.259) 8.729 8.919 ( -4.439 0.000 0.403) 4.457 9.260 ( 1.263 -0.000 6.079) 6.209 9.331 ( -1.924 0.000 7.734) 7.969 9.606 ( 2.983 0.000 -5.033) 5.850 9.673 ( -1.307 0.000 -3.140) 3.402 9.877 ( -7.761 0.000 -1.064) 7.834 9.977 ( -8.232 0.000 -10.114) 13.040 10.445 ( 9.045 0.000 1.989) 9.261 10.862 ( 17.207 0.000 4.796) 17.863 11.037 ( 4.979 0.000 -5.890) 7.712 11.073 ( 4.483 -0.000 -9.068) 10.116 11.235 ( -11.532 0.000 3.447) 12.036 12.026 ( -22.460 0.000 5.448) 23.112 12.486 ( 24.855 0.000 7.217) 25.881 12.610 ( 24.500 0.000 -5.741) 25.164 13.546 ( -24.989 0.000 15.210) 29.254 13.566 ( -14.590 -0.000 9.070) 17.179 14.216 ( 0.107 0.000 -19.532) 19.532 14.468 ( -6.068 0.000 -15.013) 16.193 ======================= Grid point 511 (272/312) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -0.549 0.000 -5.421) 5.449 2.797 ( 0.476 -0.000 -5.592) 5.612 3.173 ( 0.726 -0.000 -10.274) 10.299 3.192 ( 0.318 0.000 -11.103) 11.107 4.875 ( -0.381 -0.000 5.545) 5.558 4.878 ( 0.191 0.000 5.338) 5.341 5.168 ( -1.291 0.000 2.205) 2.556 5.185 ( 1.140 -0.000 1.417) 1.819 5.768 ( 6.104 -0.000 3.486) 7.029 5.784 ( -5.807 0.000 3.004) 6.538 5.976 ( -10.542 -0.000 -3.921) 11.247 5.976 ( 10.709 0.000 -3.674) 11.321 7.677 ( 9.121 0.000 8.704) 12.608 7.683 ( -8.857 -0.000 8.254) 12.107 8.213 ( 4.119 0.000 -3.054) 5.127 8.235 ( -3.045 -0.000 -3.719) 4.806 8.830 ( 1.790 0.000 6.126) 6.382 8.838 ( -2.278 -0.000 5.252) 5.725 9.290 ( 1.652 -0.000 6.982) 7.174 9.293 ( -1.871 0.000 6.933) 7.181 9.644 ( 1.162 0.000 -2.870) 3.097 9.647 ( -1.160 0.000 -3.225) 3.427 9.838 ( 3.640 -0.000 -8.366) 9.124 9.841 ( -3.810 0.000 -8.538) 9.349 10.702 ( -16.437 0.000 4.172) 16.958 10.708 ( 16.275 -0.000 3.832) 16.720 11.100 ( 1.408 -0.000 -7.239) 7.374 11.102 ( -1.161 0.000 -7.571) 7.659 11.535 ( -26.023 0.000 4.851) 26.472 11.546 ( 26.151 -0.000 4.355) 26.511 12.982 ( -19.051 -0.000 6.399) 20.098 12.994 ( 19.904 0.000 6.367) 20.898 13.150 ( 16.819 -0.000 5.351) 17.649 13.152 ( -18.265 0.000 4.696) 18.859 14.327 ( -7.667 -0.002 -14.858) 16.719 14.328 ( 7.871 0.002 -14.907) 16.857 ======================= Grid point 513 (273/312) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -9.135 0.000 -4.382) 10.132 2.717 ( -8.165 0.000 -6.029) 10.150 3.201 ( 2.204 -0.000 -10.281) 10.514 3.205 ( 0.929 0.000 -10.548) 10.589 4.948 ( 6.812 0.000 7.038) 9.795 4.966 ( 7.932 -0.000 5.548) 9.680 5.135 ( -1.933 0.000 3.500) 3.999 5.190 ( -0.497 -0.000 -1.019) 1.133 5.574 ( -12.668 0.000 3.399) 13.116 5.900 ( 8.774 0.000 -2.066) 9.014 5.981 ( 8.791 0.000 -1.569) 8.930 6.272 ( 16.646 0.000 1.379) 16.703 7.398 ( -19.533 0.000 2.727) 19.722 7.754 ( -1.025 0.000 12.199) 12.242 8.067 ( -12.045 0.000 -1.787) 12.177 8.182 ( -5.442 -0.000 -5.244) 7.558 8.852 ( 2.933 -0.000 7.928) 8.453 8.905 ( 4.483 0.000 1.192) 4.639 9.261 ( -1.367 -0.000 6.173) 6.323 9.323 ( 1.657 0.000 8.341) 8.504 9.612 ( -2.739 0.000 -5.517) 6.159 9.669 ( 1.308 0.000 -2.637) 2.943 9.877 ( 7.673 0.000 -1.186) 7.764 9.969 ( 7.885 0.000 -9.905) 12.660 10.442 ( -8.563 0.000 2.077) 8.812 10.855 ( -17.571 0.000 5.113) 18.300 11.041 ( -5.105 0.000 -6.125) 7.973 11.075 ( -4.961 -0.000 -9.068) 10.336 11.234 ( 12.291 0.000 3.702) 12.836 12.040 ( 22.508 0.000 4.887) 23.033 12.471 ( -25.206 0.000 7.755) 26.372 12.614 ( -24.596 0.000 -6.084) 25.338 13.546 ( 24.679 0.000 15.069) 28.916 13.554 ( 14.172 -0.000 9.335) 16.970 14.220 ( 0.196 0.000 -19.291) 19.292 14.472 ( 6.382 0.000 -15.092) 16.386 ======================= Grid point 515 (274/312) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -13.401 0.000 -3.124) 13.760 2.499 ( -12.926 -0.000 -5.597) 14.086 3.228 ( 1.374 -0.000 -8.649) 8.758 3.254 ( 2.787 0.000 -10.107) 10.484 5.054 ( 0.475 -0.000 5.737) 5.756 5.062 ( -2.384 0.000 2.874) 3.734 5.188 ( 10.501 -0.000 7.572) 12.946 5.210 ( 3.383 0.000 2.401) 4.148 5.371 ( -5.458 0.000 0.122) 5.459 6.114 ( 11.595 0.000 -2.307) 11.823 6.249 ( 16.989 -0.000 5.377) 17.820 6.602 ( 16.105 -0.000 3.928) 16.577 6.947 ( -23.872 0.000 -0.823) 23.886 7.666 ( -6.684 0.000 8.750) 11.011 7.819 ( -11.845 -0.000 -2.547) 12.116 8.059 ( -6.392 0.000 -3.741) 7.406 8.932 ( 4.939 -0.000 7.432) 8.924 8.985 ( 3.761 0.000 0.289) 3.772 9.241 ( -0.569 -0.000 5.036) 5.068 9.356 ( 1.564 0.000 10.118) 10.238 9.549 ( -3.216 0.000 -5.630) 6.484 9.690 ( 0.738 0.000 -3.087) 3.174 10.064 ( 0.088 0.000 3.869) 3.870 10.098 ( 13.022 -0.000 0.417) 13.028 10.342 ( -27.124 0.000 1.673) 27.176 10.390 ( 2.636 0.000 -8.410) 8.813 10.902 ( -8.237 0.000 -7.548) 11.172 10.957 ( -8.503 -0.000 -12.006) 14.712 11.584 ( 14.855 0.000 10.475) 18.177 12.002 ( -19.906 0.000 5.356) 20.614 12.209 ( -12.860 0.000 -11.782) 17.442 12.444 ( 16.255 0.000 3.864) 16.708 13.612 ( -4.893 0.000 7.495) 8.951 13.955 ( 14.526 0.000 16.423) 21.926 14.426 ( 17.522 -0.000 -14.368) 22.659 14.600 ( 7.789 0.000 -16.327) 18.089 ======================= Grid point 517 (275/312) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -13.234 0.000 -1.977) 13.381 2.231 ( -13.320 -0.000 -4.790) 14.155 3.258 ( 1.631 -0.000 -6.670) 6.866 3.301 ( 1.825 0.000 -9.260) 9.438 4.995 ( -3.623 0.000 2.881) 4.629 5.001 ( -3.886 0.000 2.899) 4.848 5.198 ( -1.479 -0.000 1.958) 2.454 5.402 ( 9.781 0.000 8.130) 12.719 5.445 ( 7.906 0.000 3.806) 8.775 6.193 ( -11.916 0.000 0.142) 11.917 6.610 ( 17.932 -0.000 13.241) 22.291 6.637 ( 1.584 0.000 -3.544) 3.882 6.902 ( 13.556 -0.000 8.327) 15.909 7.536 ( -5.707 0.000 3.371) 6.628 7.624 ( -7.180 -0.000 -4.854) 8.667 7.926 ( -7.070 0.000 -1.632) 7.256 9.048 ( 6.681 -0.000 6.475) 9.303 9.071 ( 5.127 0.000 1.948) 5.484 9.239 ( 0.432 -0.000 4.069) 4.092 9.377 ( 0.123 0.000 10.602) 10.603 9.496 ( -1.815 0.000 -3.373) 3.830 9.700 ( 0.261 0.000 -3.901) 3.909 9.850 ( -20.566 -0.000 -2.868) 20.765 9.989 ( -7.058 0.000 10.828) 12.925 10.349 ( 10.112 0.000 -2.843) 10.504 10.394 ( -5.950 0.000 -4.656) 7.555 10.739 ( -11.797 0.000 -12.851) 17.445 10.788 ( -0.757 -0.000 -17.575) 17.591 11.625 ( -7.382 0.000 6.798) 10.035 11.672 ( -13.269 -0.000 2.734) 13.548 12.262 ( 14.306 0.000 -6.957) 15.908 12.695 ( 8.824 0.000 3.517) 9.499 13.518 ( -2.470 0.000 3.020) 3.902 14.073 ( -2.104 0.000 8.664) 8.916 14.778 ( 16.176 -0.000 -7.757) 17.940 14.814 ( 12.776 0.000 -9.746) 16.069 ======================= Grid point 519 (276/312) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -8.381 0.000 -1.434) 8.503 2.000 ( -9.103 -0.000 -3.686) 9.821 3.289 ( 1.342 -0.000 -5.598) 5.756 3.321 ( 0.165 0.000 -7.571) 7.573 4.932 ( -2.729 0.000 3.197) 4.203 4.932 ( -2.446 -0.000 3.084) 3.936 5.238 ( 5.942 0.000 0.246) 5.948 5.554 ( 5.128 0.000 7.292) 8.914 5.572 ( 4.325 0.000 5.100) 6.687 5.809 ( -20.302 0.000 -1.708) 20.373 6.846 ( 12.873 0.000 2.494) 13.113 6.909 ( 10.977 -0.000 17.567) 20.715 7.128 ( 8.734 -0.000 12.795) 15.492 7.430 ( -5.876 0.000 3.991) 7.103 7.552 ( 0.362 -0.000 -6.838) 6.847 7.775 ( -8.083 0.000 -2.148) 8.364 9.179 ( 5.165 -0.000 5.740) 7.722 9.181 ( 5.053 0.000 3.487) 6.139 9.269 ( 3.106 0.000 4.728) 5.657 9.354 ( -2.226 0.000 7.710) 8.025 9.476 ( -0.279 0.000 4.007) 4.017 9.601 ( -2.663 0.000 -9.058) 9.441 9.688 ( -3.063 -0.000 -1.278) 3.319 9.804 ( -9.726 0.000 3.564) 10.358 10.199 ( -10.079 0.000 -4.547) 11.058 10.325 ( -11.799 0.000 -14.550) 18.733 10.686 ( 6.793 -0.000 -4.383) 8.084 10.824 ( 1.825 0.000 -17.558) 17.653 11.471 ( -6.886 0.000 1.297) 7.007 11.481 ( -5.794 -0.000 0.428) 5.810 12.555 ( 13.062 0.000 -0.212) 13.064 12.799 ( 1.624 0.000 3.381) 3.751 13.548 ( 5.426 0.000 0.341) 5.436 13.936 ( -10.134 0.000 1.774) 10.288 15.032 ( 8.883 -0.000 -4.406) 9.915 15.041 ( 8.747 0.000 -4.575) 9.872 ======================= Grid point 561 (277/312) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 0.108 0.000 -22.997) 22.997 2.069 ( -0.108 0.000 22.997) 22.997 3.520 ( 0.315 0.000 -27.751) 27.752 3.520 ( -0.315 0.000 27.751) 27.752 4.866 ( -0.031 0.000 -7.553) 7.553 4.866 ( 0.031 0.000 7.553) 7.553 5.248 ( 0.241 0.000 -20.716) 20.718 5.248 ( -0.241 0.000 20.716) 20.718 5.553 ( -0.276 0.000 -1.559) 1.583 5.553 ( 0.276 0.000 1.559) 1.583 6.110 ( -0.448 0.000 -13.026) 13.034 6.110 ( 0.448 0.000 13.026) 13.034 6.356 ( 0.389 0.000 -13.633) 13.638 6.356 ( -0.389 0.000 13.633) 13.638 7.858 ( 0.034 0.000 -19.901) 19.901 7.858 ( -0.034 0.000 19.901) 19.901 8.783 ( 0.049 0.000 -7.925) 7.925 8.783 ( -0.049 0.000 7.925) 7.925 9.113 ( -0.052 0.000 -2.422) 2.422 9.113 ( 0.052 0.000 2.422) 2.422 9.566 ( 0.153 0.000 -21.698) 21.699 9.566 ( -0.153 0.000 21.698) 21.699 9.999 ( -0.095 0.000 -4.834) 4.835 9.999 ( 0.095 0.000 4.834) 4.835 10.522 ( -0.278 0.000 -14.864) 14.866 10.522 ( 0.278 0.000 14.864) 14.866 11.127 ( -0.151 0.000 -10.009) 10.010 11.127 ( 0.151 0.000 10.009) 10.010 12.000 ( 0.295 0.000 -13.770) 13.773 12.000 ( -0.295 0.000 13.770) 13.773 12.493 ( -0.329 0.000 -5.560) 5.570 12.493 ( 0.329 0.000 5.560) 5.570 13.791 ( 0.136 0.000 -1.173) 1.181 13.791 ( -0.136 0.000 1.173) 1.181 15.432 ( -0.100 0.000 -17.266) 17.266 15.432 ( 0.100 0.000 17.266) 17.266 ======================= Grid point 563 (278/312) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 14.702 0.000 21.410) 25.972 2.228 ( 14.848 0.000 -19.101) 24.193 3.544 ( 2.548 0.000 27.765) 27.881 3.554 ( 3.000 0.000 -27.429) 27.593 4.847 ( -2.019 0.000 -8.988) 9.212 4.849 ( -1.972 0.000 8.323) 8.554 5.198 ( -4.534 0.000 26.332) 26.719 5.203 ( -4.398 0.000 -25.717) 26.091 5.605 ( 5.373 0.000 1.506) 5.580 5.612 ( 5.353 0.000 -1.580) 5.581 5.931 ( -10.451 0.000 -15.891) 19.020 5.940 ( -10.197 0.000 15.336) 18.417 6.576 ( 14.996 0.000 7.418) 16.730 6.581 ( 14.986 0.000 -7.682) 16.840 7.886 ( 2.994 0.000 -19.542) 19.770 7.886 ( 2.982 0.000 21.139) 21.349 8.755 ( -2.876 0.000 6.711) 7.301 8.757 ( -2.770 0.000 -7.342) 7.848 9.130 ( 1.260 0.000 -9.811) 9.891 9.131 ( 1.189 0.000 8.661) 8.742 9.586 ( 3.074 0.000 14.879) 15.193 9.588 ( 3.033 0.000 -13.923) 14.249 10.069 ( 6.258 0.000 -6.534) 9.048 10.072 ( 6.383 0.000 5.659) 8.530 10.365 ( -12.645 0.000 -8.610) 15.298 10.375 ( -12.330 0.000 8.560) 15.010 11.239 ( 9.023 0.000 -5.578) 10.608 11.242 ( 8.982 0.000 5.511) 10.538 11.900 ( -8.677 0.000 11.696) 14.563 11.908 ( -8.394 0.000 -11.649) 14.358 12.545 ( 4.432 0.000 -5.539) 7.094 12.556 ( 4.748 0.000 5.427) 7.211 13.678 ( -10.723 0.000 0.087) 10.724 13.683 ( -10.513 0.000 -1.483) 10.617 15.420 ( -1.123 0.000 -18.910) 18.944 15.424 ( -1.002 0.000 19.011) 19.038 ======================= Grid point 564 (279/312) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 20.111 0.000 16.205) 25.827 2.593 ( 20.121 0.000 -13.061) 23.989 3.617 ( 4.524 0.000 27.646) 28.014 3.630 ( 4.624 0.000 -27.012) 27.404 4.777 ( -5.216 0.000 -9.433) 10.779 4.779 ( -5.269 0.000 8.553) 10.045 5.092 ( -5.559 0.000 31.962) 32.442 5.096 ( -5.519 0.000 -31.597) 32.075 5.659 ( -4.983 0.000 9.440) 10.674 5.660 ( -5.049 0.000 -9.454) 10.718 5.870 ( 9.676 0.000 0.273) 9.680 5.887 ( 9.469 0.000 -1.425) 9.575 6.852 ( 11.831 0.000 3.744) 12.409 6.856 ( 11.811 0.000 -3.895) 12.437 7.983 ( 6.863 0.000 -18.295) 19.540 7.986 ( 6.931 0.000 21.549) 22.636 8.664 ( -6.361 0.000 5.062) 8.129 8.667 ( -6.319 0.000 -6.296) 8.920 9.138 ( -0.712 0.000 18.244) 18.258 9.139 ( -0.498 0.000 -19.964) 19.970 9.715 ( 9.769 0.000 -2.486) 10.080 9.717 ( 10.048 0.000 3.520) 10.647 10.022 ( -14.710 0.000 -1.776) 14.817 10.027 ( -14.246 0.000 1.039) 14.284 10.305 ( 10.801 0.000 8.397) 13.681 10.309 ( 10.518 0.000 -9.498) 14.171 11.406 ( 5.733 0.000 -1.391) 5.899 11.406 ( 5.528 0.000 1.235) 5.664 11.702 ( -9.493 0.000 8.809) 12.951 11.715 ( -9.175 0.000 -8.673) 12.625 12.614 ( 0.956 0.000 -0.383) 1.030 12.628 ( 0.994 0.000 0.475) 1.102 13.409 ( -14.540 0.000 1.855) 14.658 13.416 ( -14.520 0.000 -3.609) 14.961 15.384 ( -2.407 0.000 -23.002) 23.127 15.391 ( -2.444 0.000 22.758) 22.889 ======================= Grid point 565 (280/312) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 16.871 0.000 9.929) 19.576 2.971 ( 16.790 0.000 -7.336) 18.322 3.727 ( 6.589 0.000 27.554) 28.331 3.737 ( 6.408 0.000 -26.523) 27.286 4.643 ( -7.768 0.000 -4.235) 8.848 4.643 ( -7.914 0.000 3.198) 8.536 4.989 ( -5.061 0.000 28.368) 28.816 4.993 ( -4.960 0.000 -28.399) 28.829 5.531 ( -5.924 0.000 -12.610) 13.932 5.532 ( -5.916 0.000 12.379) 13.720 6.176 ( 18.543 0.000 7.266) 19.915 6.188 ( 18.226 0.000 -8.540) 20.128 7.032 ( 6.272 0.000 5.656) 8.446 7.035 ( 6.222 0.000 -5.581) 8.358 8.139 ( 7.550 0.000 -13.827) 15.754 8.142 ( 7.388 0.000 18.726) 20.130 8.515 ( -7.690 0.000 4.401) 8.861 8.515 ( -8.000 0.000 -6.038) 10.024 9.096 ( -3.993 0.000 16.007) 16.498 9.100 ( -3.754 0.000 -18.465) 18.843 9.734 ( -12.029 0.000 8.420) 14.683 9.741 ( -11.982 0.000 -8.711) 14.814 9.966 ( 14.393 0.000 1.884) 14.516 9.971 ( 14.578 0.000 -1.235) 14.630 10.582 ( 16.043 0.000 10.220) 19.022 10.585 ( 16.169 0.000 -12.170) 20.237 11.325 ( -12.717 0.000 1.834) 12.848 11.326 ( -12.433 0.000 -1.892) 12.576 11.661 ( 4.145 0.000 3.659) 5.529 11.672 ( 3.800 0.000 -3.756) 5.342 12.505 ( -13.156 0.000 12.098) 17.873 12.516 ( -13.525 0.000 -11.695) 17.880 13.198 ( -4.895 0.000 9.807) 10.960 13.201 ( -5.241 0.000 -10.801) 12.005 15.327 ( -3.013 0.000 -27.544) 27.708 15.333 ( -3.193 0.000 26.903) 27.092 ======================= Grid point 566 (281/312) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 8.507 0.000 -1.356) 8.614 3.227 ( 8.534 0.000 2.632) 8.931 3.879 ( 7.976 0.000 26.621) 27.790 3.883 ( 7.763 0.000 -25.285) 26.450 4.489 ( -6.918 0.000 -0.827) 6.967 4.491 ( -6.878 0.000 -0.171) 6.880 4.889 ( -4.721 0.000 24.924) 25.367 4.892 ( -4.738 0.000 -25.272) 25.713 5.446 ( -2.557 0.000 -12.560) 12.818 5.447 ( -2.652 0.000 12.439) 12.718 6.545 ( 16.675 0.000 9.035) 18.965 6.549 ( 16.404 0.000 -10.221) 19.328 7.110 ( 1.787 0.000 8.983) 9.159 7.111 ( 1.722 0.000 -8.707) 8.876 8.171 ( -5.551 0.000 7.449) 9.290 8.173 ( -5.450 0.000 -4.349) 6.972 8.452 ( 3.547 0.000 -11.712) 12.237 8.461 ( 3.612 0.000 12.299) 12.818 8.979 ( -6.866 0.000 8.000) 10.542 8.987 ( -6.826 0.000 -11.133) 13.059 9.573 ( -4.343 0.000 18.754) 19.250 9.577 ( -4.473 0.000 -18.394) 18.931 10.279 ( 16.551 0.000 1.741) 16.642 10.285 ( 16.510 0.000 -1.940) 16.624 10.883 ( 6.382 0.000 13.272) 14.727 10.892 ( 6.934 0.000 -14.198) 15.801 11.066 ( -5.405 0.000 3.989) 6.717 11.074 ( -4.931 0.000 -4.890) 6.944 11.739 ( 2.618 0.000 1.626) 3.082 11.744 ( 2.398 0.000 -1.606) 2.887 12.152 ( -19.322 0.000 17.552) 26.104 12.156 ( -19.454 0.000 -16.627) 25.591 13.177 ( 0.932 0.000 -11.330) 11.368 13.178 ( 0.934 0.000 10.975) 11.015 15.272 ( -2.088 0.000 -30.976) 31.046 15.276 ( -2.357 0.000 30.408) 30.499 ======================= Grid point 567 (282/312) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( -0.032 0.000 -1.630) 1.630 3.310 ( 0.032 0.000 1.630) 1.630 3.981 ( -0.020 0.000 -25.896) 25.896 3.981 ( 0.020 0.000 25.896) 25.896 4.408 ( 0.085 0.000 -1.691) 1.693 4.408 ( -0.085 0.000 1.691) 1.693 4.836 ( -0.052 0.000 -25.300) 25.300 4.836 ( 0.052 0.000 25.300) 25.300 5.422 ( 0.060 0.000 -12.541) 12.542 5.422 ( -0.060 0.000 12.541) 12.542 6.739 ( -0.070 0.000 -10.681) 10.682 6.739 ( 0.070 0.000 10.681) 10.682 7.120 ( 0.023 0.000 -10.298) 10.298 7.120 ( -0.023 0.000 10.298) 10.298 8.084 ( -0.094 0.000 -2.793) 2.795 8.084 ( 0.094 0.000 2.793) 2.795 8.523 ( 0.432 0.000 -15.097) 15.103 8.523 ( -0.432 0.000 15.097) 15.103 8.894 ( -0.332 0.000 -6.249) 6.258 8.894 ( 0.332 0.000 6.249) 6.258 9.536 ( -0.059 0.000 -21.538) 21.538 9.536 ( 0.059 0.000 21.538) 21.538 10.555 ( -0.526 0.000 -8.206) 8.223 10.555 ( 0.526 0.000 8.206) 8.223 10.718 ( -0.528 0.000 -12.274) 12.285 10.718 ( 0.528 0.000 12.274) 12.285 11.206 ( 0.137 0.000 -0.277) 0.309 11.206 ( -0.137 0.000 0.277) 0.309 11.749 ( 0.165 0.000 -7.306) 7.307 11.749 ( -0.165 0.000 7.306) 7.307 11.913 ( -0.098 0.000 -12.895) 12.896 11.913 ( 0.098 0.000 12.895) 12.896 13.191 ( 0.076 0.000 -10.136) 10.137 13.191 ( -0.076 0.000 10.136) 10.137 15.251 ( 0.148 0.000 -32.062) 32.063 15.251 ( -0.148 0.000 32.062) 32.063 ======================= Grid point 573 (283/312) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.107 -1.457 -21.394) 21.444 2.056 ( -0.107 -1.457 21.394) 21.444 3.538 ( 0.346 1.352 -28.916) 28.950 3.538 ( -0.346 1.352 28.916) 28.950 4.847 ( -0.236 -2.223 -2.802) 3.584 4.847 ( 0.236 -2.223 2.802) 3.584 5.234 ( 0.283 0.163 -7.465) 7.473 5.234 ( -0.283 0.163 7.465) 7.473 5.553 ( -3.105 0.076 -2.179) 3.794 5.553 ( 3.105 0.076 2.179) 3.794 6.203 ( -3.998 8.594 -12.468) 15.662 6.203 ( 3.998 8.594 12.468) 15.662 6.462 ( -2.561 10.955 -11.375) 15.998 6.462 ( 2.561 10.955 11.375) 15.998 7.836 ( 0.012 -2.203 -19.298) 19.423 7.836 ( -0.012 -2.203 19.298) 19.423 8.846 ( 0.058 6.238 -10.258) 12.006 8.846 ( -0.058 6.238 10.258) 12.006 9.130 ( -2.910 1.732 -0.466) 3.418 9.130 ( 2.910 1.732 0.466) 3.418 9.527 ( -0.045 -3.671 -18.757) 19.113 9.527 ( 0.045 -3.671 18.757) 19.113 9.978 ( -0.209 -2.200 -4.448) 4.967 9.978 ( 0.209 -2.200 4.448) 4.967 10.514 ( -2.554 -1.130 -13.039) 13.335 10.514 ( 2.554 -1.130 13.039) 13.335 11.127 ( -1.923 -0.046 -10.895) 11.063 11.127 ( 1.923 -0.046 10.895) 11.063 11.902 ( -0.278 -9.642 -12.049) 15.435 11.902 ( 0.278 -9.642 12.049) 15.435 12.529 ( -0.374 3.353 -3.744) 5.040 12.529 ( 0.374 3.353 3.744) 5.040 13.781 ( -3.626 -0.991 -0.684) 3.821 13.781 ( 3.626 -0.991 0.684) 3.821 15.399 ( -0.107 -3.340 -16.488) 16.824 15.399 ( 0.107 -3.340 16.488) 16.824 ======================= Grid point 575 (284/312) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 13.338 -3.097 2.765) 13.969 2.223 ( 14.476 -1.687 -0.555) 14.585 3.514 ( 0.397 -0.881 3.845) 3.965 3.620 ( 5.041 3.337 -3.478) 6.975 4.807 ( -2.496 -2.852 -0.127) 3.792 4.868 ( 0.292 0.127 -0.322) 0.452 5.159 ( -6.091 -0.835 2.035) 6.476 5.207 ( -3.038 -0.071 -2.186) 3.744 5.489 ( -1.288 -4.649 0.215) 4.829 5.715 ( 10.474 4.954 0.311) 11.591 5.946 ( -10.605 6.451 -0.894) 12.445 6.158 ( -10.859 15.474 0.415) 18.909 6.587 ( 15.983 3.390 0.033) 16.339 6.716 ( 12.897 11.155 -0.351) 17.056 7.843 ( 1.860 -3.567 0.534) 4.058 7.889 ( 4.327 -0.524 0.956) 4.462 8.810 ( -3.208 5.990 0.864) 6.849 8.826 ( -2.793 6.292 -1.540) 7.054 9.095 ( -1.122 -0.561 -0.838) 1.508 9.205 ( 3.601 4.512 -0.211) 5.777 9.491 ( 1.197 -7.208 0.663) 7.337 9.578 ( 2.846 -2.730 0.325) 3.957 10.018 ( 5.281 -4.013 -0.523) 6.654 10.049 ( 1.488 -3.159 -0.068) 3.492 10.308 ( -5.561 -0.630 -0.471) 5.616 10.523 ( -9.967 8.451 0.287) 13.070 11.128 ( 8.101 -7.179 -0.457) 10.833 11.311 ( 9.548 2.957 0.281) 9.999 11.768 ( -8.634 -8.802 0.374) 12.335 11.901 ( -4.360 -6.169 -0.296) 7.560 12.524 ( 0.547 0.750 -0.372) 1.000 12.582 ( 3.329 0.623 0.338) 3.404 13.612 ( -11.239 -2.998 -0.743) 11.656 13.760 ( -6.937 4.128 -0.602) 8.095 15.377 ( -1.489 -4.228 -8.645) 9.738 15.387 ( -1.842 -3.875 8.754) 9.749 ======================= Grid point 576 (285/312) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 19.267 -5.136 2.878) 20.146 2.571 ( 19.038 -3.456 0.102) 19.349 3.553 ( 3.445 -2.727 3.316) 5.505 3.722 ( 4.869 3.965 -2.635) 6.809 4.743 ( -4.185 -2.030 -0.284) 4.660 4.836 ( -4.487 4.238 -0.397) 6.185 5.034 ( -5.059 -3.294 1.150) 6.145 5.126 ( -4.911 1.988 -1.416) 5.484 5.470 ( -1.936 -7.345 0.089) 7.597 5.850 ( 3.039 2.093 0.667) 3.750 5.906 ( -2.945 12.008 -0.857) 12.394 6.003 ( 6.743 9.739 -0.369) 11.851 6.889 ( 13.267 2.457 0.101) 13.493 6.942 ( 9.478 8.932 -0.353) 13.028 7.916 ( 5.796 -5.063 0.753) 7.733 8.001 ( 6.332 -0.095 2.190) 6.701 8.711 ( -7.096 5.193 0.559) 8.811 8.734 ( -5.943 6.138 -1.714) 8.714 9.057 ( -3.061 -2.695 -0.790) 4.154 9.249 ( 1.665 5.545 -0.715) 5.834 9.621 ( 10.831 -8.120 0.437) 13.544 9.664 ( 5.612 -4.045 0.495) 6.936 9.936 ( -7.254 -2.409 -0.189) 7.646 10.170 ( 8.524 -3.931 -0.779) 9.419 10.222 ( -16.647 8.056 0.192) 18.495 10.429 ( 13.238 5.067 -0.865) 14.200 11.317 ( 6.936 -4.697 -0.229) 8.380 11.479 ( 6.435 3.397 0.041) 7.277 11.591 ( -7.198 -6.980 0.459) 10.037 11.747 ( -9.901 -2.725 -0.150) 10.270 12.491 ( -5.807 -5.532 0.195) 8.023 12.655 ( 3.993 -2.206 -0.204) 4.567 13.400 ( -8.291 0.828 -0.845) 8.375 13.517 ( -16.699 7.943 -0.783) 18.509 15.323 ( -4.118 -5.961 -7.688) 10.564 15.345 ( -2.127 -5.008 7.494) 9.260 ======================= Grid point 577 (286/312) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 16.553 -6.397 1.838) 17.841 2.933 ( 16.350 -4.990 0.598) 17.105 3.652 ( 6.485 -4.093 2.760) 8.150 3.811 ( 4.261 2.035 -1.745) 5.034 4.637 ( -6.265 0.091 -0.343) 6.275 4.694 ( -8.484 4.703 -0.536) 9.715 4.971 ( -2.278 -1.328 1.985) 3.300 5.019 ( -5.652 3.684 -2.361) 7.148 5.414 ( -2.405 -4.169 -0.030) 4.813 5.731 ( -9.288 12.003 -0.219) 15.178 6.058 ( 15.724 -6.073 0.396) 16.861 6.279 ( 15.156 4.904 -1.009) 15.961 7.089 ( 5.680 6.768 1.738) 9.006 7.091 ( 6.711 3.221 -1.874) 7.676 8.078 ( 10.306 -6.939 -0.014) 12.424 8.101 ( 2.597 -2.608 3.949) 5.398 8.521 ( -11.695 4.107 0.079) 12.395 8.627 ( -3.745 7.801 -1.067) 8.718 8.981 ( -4.006 -2.013 -1.262) 4.657 9.292 ( 2.162 9.039 -0.779) 9.326 9.696 ( -3.242 -0.709 0.666) 3.385 9.734 ( -11.639 -4.261 -0.512) 12.405 9.956 ( 10.083 -1.079 0.333) 10.146 9.994 ( 8.119 2.971 -0.388) 8.655 10.410 ( 13.664 -6.979 -0.662) 15.357 10.739 ( 17.006 4.960 -1.053) 17.745 11.239 ( -11.819 -2.531 -0.340) 12.092 11.410 ( -14.100 1.245 0.669) 14.171 11.607 ( 5.443 -5.243 0.046) 7.558 11.685 ( 4.910 1.377 -0.271) 5.106 12.261 ( -16.272 -9.290 0.430) 18.742 12.718 ( -0.074 3.826 -0.323) 3.841 13.157 ( -16.152 3.910 -0.091) 16.619 13.309 ( -1.737 5.474 -0.735) 5.790 15.235 ( -4.228 -8.336 -3.405) 9.948 15.293 ( -3.094 -5.342 2.835) 6.793 ======================= Grid point 578 (287/312) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 9.231 -6.274 0.662) 11.181 3.185 ( 8.356 -5.251 0.550) 9.885 3.802 ( 7.974 -5.741 1.970) 10.021 3.896 ( 3.952 -2.480 -0.797) 4.733 4.512 ( -5.590 2.676 -0.553) 6.222 4.538 ( -6.628 4.634 -0.334) 8.094 4.914 ( -4.019 4.021 14.415) 15.496 4.919 ( -3.240 2.469 -14.828) 15.377 5.402 ( 1.205 -0.767 0.029) 1.429 5.566 ( -6.988 8.142 -0.103) 10.730 6.391 ( 15.818 -11.359 0.163) 19.474 6.543 ( 9.885 -3.282 -0.845) 10.450 7.165 ( 2.330 6.981 0.086) 7.360 7.175 ( 1.932 3.823 -0.094) 4.284 8.097 ( -1.739 -1.951 1.960) 3.267 8.250 ( -6.203 -5.880 -0.746) 8.580 8.340 ( 7.350 5.091 2.367) 9.249 8.596 ( -0.388 7.374 -0.447) 7.398 8.921 ( -1.428 1.668 -2.034) 2.994 9.227 ( -12.452 14.292 -0.653) 18.967 9.508 ( -2.211 -4.507 1.235) 5.170 9.623 ( -3.669 2.882 -0.712) 4.720 10.223 ( 15.333 -2.670 0.080) 15.564 10.300 ( 17.788 -3.043 -0.532) 18.054 10.680 ( 9.774 -7.426 -0.303) 12.279 10.997 ( -8.128 -2.180 0.774) 8.451 11.028 ( -0.997 -9.176 -1.511) 9.353 11.106 ( -4.861 9.352 -0.113) 10.540 11.685 ( 1.922 -5.269 -0.320) 5.618 11.788 ( 1.588 3.611 0.292) 3.956 11.942 ( -9.420 -4.413 0.376) 10.409 12.491 ( -20.277 18.478 0.215) 27.434 13.063 ( 4.772 -6.100 -0.393) 7.754 13.277 ( -2.613 4.681 0.028) 5.361 15.173 ( -1.654 -9.164 -2.484) 9.637 15.227 ( -3.328 -6.264 1.961) 7.359 ======================= Grid point 579 (288/312) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( -0.229 -5.428 -1.378) 5.605 3.257 ( 0.229 -5.428 1.378) 5.605 3.922 ( -0.119 -6.515 -27.430) 28.193 3.922 ( 0.119 -6.515 27.430) 28.193 4.455 ( 0.032 4.861 -1.883) 5.213 4.455 ( -0.032 4.861 1.883) 5.213 4.875 ( -0.102 4.308 -19.613) 20.080 4.875 ( 0.102 4.308 19.613) 20.080 5.456 ( -0.653 3.445 -8.737) 9.414 5.456 ( 0.653 3.445 8.737) 9.414 6.609 ( -0.714 -11.953 -10.753) 16.094 6.609 ( 0.714 -11.953 10.753) 16.094 7.188 ( 0.012 6.269 -6.951) 9.360 7.188 ( -0.012 6.269 6.951) 9.360 8.103 ( -3.595 1.879 -1.208) 4.233 8.103 ( 3.595 1.879 1.208) 4.233 8.541 ( -1.982 2.763 -11.225) 11.729 8.541 ( 1.982 2.763 11.225) 11.729 8.973 ( -3.606 6.297 -1.824) 7.482 8.973 ( 3.606 6.297 1.824) 7.482 9.550 ( -0.328 1.777 -18.224) 18.313 9.550 ( 0.328 1.777 18.224) 18.313 10.520 ( -4.571 -2.411 -7.589) 9.181 10.520 ( 4.571 -2.411 7.589) 9.181 10.708 ( -5.453 -5.484 -10.723) 13.221 10.708 ( 5.453 -5.484 10.723) 13.221 11.104 ( -8.461 -3.854 -0.585) 9.315 11.104 ( 8.461 -3.854 0.585) 9.315 11.700 ( 0.221 -5.216 -10.334) 11.578 11.700 ( -0.221 -5.216 10.334) 11.578 12.095 ( -7.644 15.630 -9.181) 19.673 12.095 ( 7.644 15.630 9.181) 19.673 13.188 ( -0.959 -0.364 -10.410) 10.460 13.188 ( 0.959 -0.364 10.410) 10.460 15.174 ( 0.129 -7.969 -31.641) 32.630 15.174 ( -0.129 -7.969 31.641) 32.630 ======================= Grid point 585 (289/312) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 0.130 -2.978 -17.252) 17.507 2.013 ( -0.130 -2.978 17.252) 17.507 3.536 ( 0.434 -2.448 -30.476) 30.577 3.536 ( -0.434 -2.448 30.476) 30.577 4.806 ( -1.444 -0.912 0.322) 1.738 4.806 ( 1.444 -0.912 -0.322) 1.738 5.289 ( -0.279 5.323 -5.623) 7.748 5.289 ( 0.279 5.323 5.623) 7.748 5.552 ( -5.700 -0.294 -2.542) 6.248 5.552 ( 5.700 -0.294 2.542) 6.248 6.419 ( -3.818 14.200 -13.038) 19.652 6.419 ( 3.818 14.200 13.038) 19.652 6.733 ( -5.099 16.151 -8.058) 18.756 6.733 ( 5.099 16.151 8.058) 18.756 7.782 ( -0.183 -3.334 -17.120) 17.442 7.782 ( 0.183 -3.334 17.120) 17.442 8.995 ( 0.071 8.793 -14.501) 16.959 8.995 ( -0.071 8.793 14.501) 16.959 9.169 ( -0.984 1.946 -8.430) 8.707 9.169 ( 0.984 1.946 8.430) 8.707 9.456 ( -0.828 -2.589 -8.440) 8.867 9.456 ( 0.828 -2.589 8.440) 8.867 9.914 ( -0.615 -4.642 -3.710) 5.974 9.914 ( 0.615 -4.642 3.710) 5.974 10.464 ( -5.534 -4.467 -9.638) 11.979 10.464 ( 5.534 -4.467 9.638) 11.979 11.117 ( -4.230 -1.658 -12.359) 13.167 11.117 ( 4.230 -1.658 12.359) 13.167 11.670 ( -0.164 -13.414 -9.479) 16.427 11.670 ( 0.164 -13.414 9.479) 16.427 12.604 ( -0.172 4.268 -1.242) 4.448 12.604 ( 0.172 4.268 1.242) 4.448 13.758 ( -7.379 -1.342 -0.390) 7.511 13.758 ( 7.379 -1.342 0.390) 7.511 15.314 ( -0.123 -5.314 -14.270) 15.227 15.314 ( 0.123 -5.314 14.270) 15.227 ======================= Grid point 587 (290/312) ======================= q-point: ( 0.10 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 11.185 -4.118 2.633) 12.206 2.165 ( 12.724 -4.267 -0.856) 13.448 3.488 ( -1.118 -2.680 4.184) 5.093 3.623 ( 4.711 -3.984 -3.633) 7.160 4.778 ( -1.144 1.160 0.233) 1.645 4.849 ( 2.537 -1.020 -0.627) 2.806 5.216 ( -5.642 4.147 -2.909) 7.582 5.223 ( -5.406 3.924 2.412) 7.102 5.445 ( -3.686 -0.182 0.211) 3.696 5.795 ( 14.653 3.098 0.551) 14.987 6.162 ( -11.785 15.974 -0.373) 19.854 6.471 ( -11.357 16.610 0.133) 20.122 6.690 ( 11.418 7.226 -0.170) 13.513 6.975 ( 11.253 15.199 -0.173) 18.912 7.756 ( 0.494 -5.289 0.286) 5.320 7.870 ( 5.661 -1.465 0.938) 5.923 8.953 ( -3.820 8.013 0.583) 8.896 8.978 ( -2.911 9.406 -1.357) 9.940 9.104 ( -3.015 1.255 -0.975) 3.409 9.283 ( 7.624 1.904 0.383) 7.867 9.349 ( -4.528 -5.271 0.579) 6.973 9.535 ( 4.055 -0.102 0.353) 4.072 9.921 ( 4.129 -6.190 0.157) 7.442 9.972 ( -1.296 -4.729 -0.408) 4.920 10.302 ( 1.435 -0.799 -0.256) 1.663 10.644 ( -4.457 2.883 0.027) 5.308 10.971 ( 5.468 -9.053 -0.717) 10.600 11.353 ( 10.920 0.986 0.288) 10.969 11.597 ( -4.952 -8.262 -0.025) 9.632 11.672 ( -2.610 -16.357 0.185) 16.565 12.579 ( -1.749 -0.604 -0.456) 1.906 12.588 ( -2.441 5.245 0.538) 5.810 13.568 ( -9.725 -1.554 -0.683) 9.872 13.833 ( -1.218 3.512 -0.455) 3.745 15.270 ( -3.143 -6.649 -5.696) 9.302 15.285 ( -3.736 -6.582 5.827) 9.552 ======================= Grid point 588 (291/312) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 17.085 -6.674 2.857) 18.564 2.470 ( 16.831 -6.734 -0.503) 18.135 3.493 ( 1.641 -4.271 3.291) 5.636 3.704 ( 3.036 -6.835 -2.301) 7.825 4.750 ( -1.981 4.370 -0.063) 4.798 4.899 ( 1.919 1.209 -0.653) 2.360 5.044 ( -9.519 6.154 -0.365) 11.341 5.171 ( -1.373 1.864 -0.364) 2.344 5.381 ( -2.489 -2.146 0.339) 3.304 5.986 ( -4.673 12.308 1.973) 13.313 6.069 ( 8.222 6.275 -2.014) 10.537 6.270 ( -5.219 16.349 0.120) 17.163 6.902 ( 9.603 -1.566 -0.012) 9.729 7.165 ( 7.664 13.370 -0.281) 15.414 7.804 ( 4.371 -6.307 0.570) 7.695 7.987 ( 5.403 -1.213 1.732) 5.802 8.826 ( -8.830 5.806 0.081) 10.568 8.886 ( -5.308 9.542 -1.102) 10.975 9.050 ( -2.337 2.159 -0.958) 3.323 9.304 ( 0.757 -2.255 0.541) 2.439 9.479 ( 10.622 -3.489 0.221) 11.183 9.642 ( 6.513 2.709 0.150) 7.055 9.892 ( -3.424 -2.634 -0.314) 4.332 10.067 ( 10.380 -5.568 -0.027) 11.779 10.367 ( -17.680 4.723 -0.138) 18.300 10.483 ( 13.129 0.481 -0.957) 13.172 11.223 ( 13.539 -6.649 -0.219) 15.085 11.471 ( -7.710 -3.811 -0.226) 8.603 11.531 ( -2.209 -3.734 0.495) 4.366 11.573 ( 2.183 -8.885 0.224) 9.152 12.478 ( -9.431 3.867 0.282) 10.197 12.560 ( 0.757 -7.084 -0.298) 7.131 13.427 ( -3.688 1.812 -0.887) 4.204 13.693 ( -12.650 10.127 -0.489) 16.211 15.169 ( -7.220 -9.858 -4.617) 13.063 15.207 ( -3.347 -9.189 4.555) 10.788 ======================= Grid point 589 (292/312) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 15.644 -8.683 1.924) 17.996 2.797 ( 15.263 -8.679 -0.058) 17.558 3.552 ( 4.147 -6.953 2.289) 8.413 3.740 ( 0.826 -9.953 -1.089) 10.046 4.691 ( -3.936 6.776 -0.372) 7.845 4.821 ( -8.996 8.463 -0.388) 12.357 4.962 ( 0.923 0.929 -0.470) 1.391 5.134 ( -2.872 6.835 -0.201) 7.417 5.355 ( 0.140 -2.322 0.196) 2.334 5.959 ( -11.059 11.022 -2.233) 15.772 6.003 ( 6.126 1.272 2.489) 6.733 6.383 ( 7.339 6.030 -0.448) 9.509 7.081 ( 8.745 -3.646 0.167) 9.476 7.282 ( 4.289 11.655 -0.398) 12.425 7.934 ( 8.700 -6.786 0.724) 11.057 8.065 ( 2.371 -0.845 2.065) 3.256 8.634 ( -9.473 6.905 0.461) 11.732 8.804 ( -2.723 10.623 -1.218) 11.034 9.012 ( -1.474 4.416 -1.281) 4.829 9.358 ( 3.983 -4.185 0.860) 5.841 9.635 ( 0.540 -2.731 -0.009) 2.784 9.723 ( -0.088 2.822 -0.382) 2.849 9.936 ( 9.197 -0.381 -0.087) 9.205 10.058 ( -8.334 2.770 -0.611) 8.803 10.332 ( 15.999 -1.650 -0.172) 16.085 10.741 ( 10.398 -4.911 -0.803) 11.528 11.250 ( -11.577 3.677 -0.381) 12.152 11.318 ( -11.383 -10.152 0.999) 15.285 11.460 ( 6.760 -10.026 -0.129) 12.093 11.756 ( 10.613 6.070 -0.026) 12.226 12.210 ( -16.658 3.337 0.233) 16.990 12.643 ( 7.914 -9.031 -0.458) 12.017 13.355 ( -20.019 14.235 -0.089) 24.564 13.404 ( -0.506 4.722 -0.554) 4.782 15.022 ( -6.712 -13.736 -1.968) 15.415 15.136 ( -3.998 -10.929 1.584) 11.744 ======================= Grid point 590 (293/312) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 9.671 -9.188 0.651) 13.356 3.043 ( 8.529 -9.180 0.245) 12.533 3.649 ( 5.100 -10.521 1.398) 11.775 3.748 ( 0.013 -12.827 -0.396) 12.833 4.609 ( -3.518 7.753 -0.492) 8.528 4.661 ( -6.472 7.994 -0.149) 10.287 4.976 ( 0.351 4.058 -0.063) 4.074 5.056 ( -4.286 8.924 -0.345) 9.906 5.407 ( 5.150 1.391 0.209) 5.339 5.738 ( -10.643 9.283 -0.372) 14.127 6.177 ( 9.776 -9.967 0.369) 13.966 6.441 ( -1.387 -7.124 -0.345) 7.266 7.243 ( 6.821 3.679 0.402) 7.760 7.340 ( 1.453 10.410 -0.508) 10.524 8.102 ( 2.082 2.523 2.998) 4.437 8.123 ( 7.887 -4.782 -1.254) 9.308 8.503 ( -1.250 9.370 1.411) 9.558 8.757 ( -3.031 9.490 -1.346) 10.053 8.998 ( 0.548 5.644 -1.879) 5.974 9.334 ( -13.404 -6.537 1.518) 14.990 9.526 ( 1.285 9.198 -0.221) 9.290 9.684 ( -3.027 3.009 -0.313) 4.280 10.146 ( 12.089 -11.094 -0.521) 16.416 10.191 ( 15.000 -0.679 -0.346) 15.020 10.650 ( 11.202 2.947 -0.070) 11.583 10.746 ( -10.703 -17.584 0.044) 20.586 11.015 ( -7.295 3.765 -0.116) 8.210 11.222 ( 1.815 1.569 0.034) 2.400 11.536 ( 1.285 -10.223 -0.224) 10.306 11.814 ( -16.236 2.005 0.557) 16.369 12.048 ( 13.832 11.686 -0.266) 18.110 12.798 ( -4.400 8.966 -0.157) 9.989 12.981 ( -5.403 2.204 -0.238) 5.840 13.356 ( -5.613 3.774 0.111) 6.765 14.934 ( -1.571 -15.613 -1.434) 15.757 15.046 ( -4.835 -12.367 1.029) 13.319 ======================= Grid point 591 (294/312) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -0.310 -9.012 -1.393) 9.124 3.115 ( 0.310 -9.012 1.393) 9.124 3.729 ( -0.079 -13.391 -27.599) 30.676 3.729 ( 0.079 -13.391 27.599) 30.676 4.581 ( -0.084 7.967 -2.986) 8.509 4.581 ( 0.084 7.967 2.986) 8.509 4.992 ( -0.193 7.251 -8.022) 10.815 4.992 ( 0.193 7.251 8.022) 10.815 5.546 ( -8.342 5.879 -0.377) 10.213 5.546 ( 8.342 5.879 0.377) 10.213 6.351 ( -2.252 -13.907 -7.448) 15.935 6.351 ( 2.252 -13.907 7.448) 15.935 7.334 ( -0.835 8.684 -3.260) 9.313 7.334 ( 0.834 8.684 3.260) 9.313 8.155 ( -1.280 3.633 -4.412) 5.857 8.155 ( 1.280 3.633 4.412) 5.857 8.632 ( -8.611 6.082 -3.305) 11.048 8.632 ( 8.611 6.082 3.305) 11.048 9.071 ( -0.779 3.773 -6.435) 7.501 9.071 ( 0.779 3.773 6.435) 7.501 9.609 ( -0.844 3.884 -8.633) 9.504 9.609 ( 0.844 3.884 8.633) 9.504 10.404 ( -1.437 -15.162 -12.724) 19.846 10.404 ( 1.437 -15.162 12.724) 19.846 10.559 ( -6.427 -1.060 -0.746) 6.557 10.559 ( 6.427 -1.060 0.746) 6.557 11.161 ( -8.786 6.837 -2.203) 11.349 11.161 ( 8.786 6.837 2.203) 11.349 11.565 ( -0.244 -8.288 -10.310) 13.230 11.565 ( 0.244 -8.288 10.310) 13.230 12.419 ( -11.616 17.528 -8.848) 22.813 12.419 ( 11.616 17.528 8.848) 22.813 13.174 ( -3.590 -1.261 -10.772) 11.425 13.174 ( 3.590 -1.261 10.772) 11.425 14.958 ( 0.045 -14.335 -30.287) 33.509 14.958 ( -0.045 -14.335 30.287) 33.509 ======================= Grid point 597 (295/312) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 0.164 -3.492 -11.816) 12.323 1.949 ( -0.164 -3.492 11.816) 12.323 3.440 ( 0.447 -7.049 -26.381) 27.310 3.440 ( -0.447 -7.049 26.381) 27.310 4.833 ( 0.094 3.390 -0.595) 3.443 4.833 ( -0.094 3.390 0.595) 3.443 5.404 ( -2.544 5.424 -6.108) 8.555 5.404 ( 2.544 5.424 6.108) 8.555 5.549 ( -5.946 0.839 -0.042) 6.005 5.549 ( 5.946 0.839 0.042) 6.005 6.726 ( -1.112 17.062 -12.832) 21.378 6.726 ( 1.112 17.062 12.832) 21.378 7.035 ( -5.242 14.923 -6.929) 17.268 7.035 ( 5.242 14.923 6.929) 17.268 7.711 ( -0.723 -4.147 -13.309) 13.958 7.711 ( 0.723 -4.147 13.309) 13.958 9.162 ( -0.206 8.248 -16.854) 18.765 9.162 ( 0.206 8.248 16.854) 18.765 9.191 ( -0.178 1.208 -18.757) 18.796 9.191 ( 0.178 1.208 18.757) 18.796 9.463 ( -3.414 3.198 -3.747) 5.993 9.463 ( 3.414 3.198 3.747) 5.993 9.803 ( -1.234 -6.887 -3.702) 7.915 9.803 ( 1.234 -6.887 3.702) 7.915 10.338 ( -4.481 -8.916 -7.510) 12.489 10.338 ( 4.481 -8.916 7.510) 12.489 11.017 ( -4.063 -9.672 -12.181) 16.076 11.017 ( 4.063 -9.672 12.181) 16.076 11.465 ( -0.036 -6.468 -6.496) 9.167 11.465 ( 0.036 -6.468 6.496) 9.167 12.685 ( -3.345 4.085 -0.440) 5.298 12.685 ( 3.345 4.085 0.440) 5.298 13.734 ( -9.568 -1.091 -0.210) 9.632 13.734 ( 9.568 -1.091 0.210) 9.632 15.210 ( -0.125 -5.285 -10.730) 11.961 15.210 ( 0.125 -5.285 10.730) 11.961 ======================= Grid point 599 (296/312) ======================= q-point: ( 0.10 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 9.457 -3.838 2.542) 10.518 2.073 ( 10.649 -4.989 -1.578) 11.865 3.400 ( -1.610 -6.216 5.249) 8.293 3.480 ( 1.685 -9.679 -4.394) 10.763 4.850 ( 1.906 5.188 0.002) 5.527 4.864 ( 2.638 2.661 -0.480) 3.778 5.239 ( -6.258 0.642 -0.329) 6.299 5.385 ( -6.084 9.678 0.033) 11.431 5.481 ( -3.910 3.942 0.184) 5.555 5.823 ( 18.222 -0.126 0.406) 18.227 6.525 ( -11.786 21.025 0.074) 24.103 6.740 ( -8.700 9.661 -0.397) 13.007 6.872 ( -1.677 12.865 0.065) 12.974 7.253 ( 9.465 12.968 -0.019) 16.055 7.649 ( -0.726 -5.845 0.143) 5.892 7.832 ( 6.642 -2.607 0.743) 7.174 9.080 ( -6.843 4.660 -1.300) 8.381 9.149 ( -1.128 4.707 3.128) 5.763 9.162 ( -3.604 6.549 -2.645) 7.930 9.220 ( 0.423 0.432 0.418) 0.735 9.382 ( 1.226 3.383 -0.068) 3.599 9.606 ( 7.733 7.011 0.541) 10.452 9.781 ( 3.626 -8.606 0.467) 9.350 9.868 ( -0.585 -6.176 -0.638) 6.236 10.266 ( 5.314 -2.979 -0.040) 6.092 10.584 ( 5.740 -9.636 -0.014) 11.216 10.805 ( -3.041 -7.780 -0.931) 8.405 11.211 ( 5.246 -19.057 0.285) 19.768 11.465 ( 2.916 -1.193 0.147) 3.154 11.489 ( 1.177 -2.640 -0.089) 2.892 12.565 ( -8.044 -0.650 -0.176) 8.072 12.699 ( -2.236 5.839 0.351) 6.263 13.551 ( -7.521 -0.362 -0.481) 7.545 13.893 ( 5.009 2.810 -0.297) 5.752 15.140 ( -5.902 -6.682 -5.176) 10.309 15.152 ( -6.351 -6.981 5.339) 10.844 ======================= Grid point 600 (297/312) ======================= q-point: ( 0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 14.758 -5.713 2.609) 16.039 2.334 ( 14.709 -7.008 -1.355) 16.350 3.380 ( -0.385 -7.346 3.852) 8.303 3.499 ( 0.087 -12.730 -2.436) 12.961 4.891 ( 1.450 8.446 -0.270) 8.574 4.930 ( 3.675 2.801 -0.647) 4.666 5.184 ( 0.299 0.238 -0.761) 0.852 5.217 ( -10.023 10.427 0.463) 14.470 5.385 ( -4.924 2.207 0.311) 5.405 6.156 ( 10.474 2.995 1.629) 11.015 6.288 ( -11.342 17.860 -1.375) 21.202 6.565 ( -4.834 12.927 -0.034) 13.802 6.842 ( -1.053 -3.147 0.058) 3.319 7.403 ( 5.730 10.484 -0.012) 11.948 7.691 ( 4.925 -5.386 0.411) 7.310 7.960 ( 6.038 -1.546 1.079) 6.326 8.923 ( -8.244 5.075 -0.419) 9.689 9.057 ( -4.780 4.989 -0.385) 6.920 9.132 ( -0.666 5.845 0.247) 5.888 9.226 ( 0.364 1.124 0.128) 1.189 9.488 ( 7.035 1.291 -0.128) 7.153 9.743 ( 4.005 4.405 0.299) 5.961 9.848 ( 1.915 0.672 -0.597) 2.115 9.956 ( 14.078 -6.052 0.345) 15.328 10.394 ( -15.260 -1.242 -0.005) 15.311 10.454 ( 10.553 -3.145 -0.774) 11.039 11.017 ( 13.709 -14.204 -0.326) 19.743 11.184 ( -5.739 -21.235 0.452) 22.002 11.498 ( -1.113 5.681 -0.274) 5.796 11.621 ( 11.366 3.697 0.070) 11.952 12.409 ( -5.648 -8.383 -0.214) 10.111 12.587 ( -9.382 6.379 0.382) 11.351 13.468 ( -0.540 2.631 -0.691) 2.774 13.890 ( -6.099 10.371 -0.326) 12.035 14.966 ( -11.500 -10.964 -3.406) 16.250 15.010 ( -6.629 -11.101 3.525) 13.401 ======================= Grid point 601 (298/312) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 14.261 -7.596 1.657) 16.242 2.627 ( 14.042 -8.604 -0.715) 16.484 3.386 ( 1.013 -9.947 2.150) 10.227 3.485 ( -1.253 -14.789 -0.678) 14.858 4.876 ( -3.347 11.276 -0.412) 11.769 4.987 ( -3.046 6.241 -0.479) 6.961 5.023 ( -3.969 7.275 -0.395) 8.297 5.208 ( 0.366 0.314 0.056) 0.485 5.345 ( 2.500 1.620 0.317) 2.996 6.099 ( -6.987 7.678 -2.113) 10.594 6.110 ( -10.165 3.902 2.444) 11.159 6.504 ( -7.179 6.447 -0.178) 9.651 6.989 ( 16.398 -4.581 0.224) 17.027 7.493 ( 3.543 9.961 -0.020) 10.573 7.840 ( 9.821 -3.323 0.493) 10.380 8.073 ( 5.482 1.216 1.226) 5.747 8.774 ( -6.423 7.856 0.125) 10.148 8.988 ( -2.757 5.389 -1.139) 6.160 9.122 ( -0.320 6.681 -0.099) 6.689 9.236 ( 0.432 -1.894 0.565) 2.024 9.613 ( 4.927 -1.852 -0.202) 5.268 9.747 ( -1.440 -1.355 -0.280) 1.997 9.978 ( 9.007 4.968 -0.046) 10.286 10.089 ( -13.452 0.773 -0.580) 13.487 10.326 ( 21.781 0.630 0.220) 21.792 10.578 ( -0.808 -10.983 -0.328) 11.017 11.095 ( -0.349 -11.724 -0.014) 11.729 11.211 ( 4.542 -13.081 0.436) 13.854 11.396 ( -9.137 8.541 -0.218) 12.509 11.890 ( 15.623 7.323 -0.058) 17.254 12.324 ( -16.536 7.077 0.322) 17.989 12.436 ( 9.605 -12.052 -0.445) 15.417 13.495 ( 1.249 5.480 -0.704) 5.665 13.649 ( -17.461 15.994 0.173) 23.679 14.730 ( -10.861 -16.472 -1.366) 19.778 14.890 ( -5.622 -14.558 1.219) 15.654 ======================= Grid point 602 (299/312) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 9.388 -8.632 0.460) 12.762 2.861 ( 8.530 -9.297 -0.078) 12.617 3.416 ( 1.743 -13.162 0.904) 13.308 3.460 ( -1.064 -15.832 0.111) 15.868 4.784 ( -4.531 9.813 -0.423) 10.817 4.824 ( -7.139 8.636 0.070) 11.205 5.063 ( 2.467 4.675 -0.402) 5.301 5.178 ( -2.945 2.805 -0.056) 4.068 5.473 ( 9.074 5.512 0.418) 10.625 5.887 ( -11.214 5.157 -0.820) 12.370 6.033 ( 0.489 -5.198 0.788) 5.280 6.306 ( -10.959 -5.487 -0.087) 12.256 7.320 ( 13.987 4.274 0.392) 14.631 7.541 ( 0.912 10.729 -0.201) 10.769 8.068 ( 12.128 -1.519 0.294) 12.226 8.179 ( 4.835 4.235 1.050) 6.512 8.680 ( -2.261 9.243 0.526) 9.530 8.909 ( -6.309 3.660 -1.465) 7.439 9.124 ( 0.620 7.391 -0.640) 7.444 9.220 ( -2.721 -0.907 0.998) 3.037 9.652 ( -0.681 2.423 -0.107) 2.519 9.710 ( -2.189 -0.602 -0.230) 2.281 9.954 ( 1.593 -7.752 -0.586) 7.936 10.158 ( 6.057 -5.686 0.129) 8.309 10.467 ( -4.368 -8.177 0.011) 9.270 10.745 ( 13.629 6.236 -0.046) 14.988 11.113 ( -5.752 5.485 -0.234) 7.952 11.166 ( 5.024 -6.187 0.266) 7.975 11.315 ( 0.411 -12.126 0.020) 12.133 11.910 ( -21.333 6.978 0.365) 22.448 12.285 ( 20.606 12.122 -0.164) 23.908 12.745 ( 19.346 -7.233 -0.515) 20.661 13.232 ( -23.393 16.973 -0.233) 28.903 13.432 ( -9.090 4.787 0.349) 10.280 14.596 ( -1.587 -19.488 -0.962) 19.576 14.773 ( -6.275 -15.827 0.707) 17.040 ======================= Grid point 603 (300/312) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -0.193 -9.091 -1.551) 9.224 2.937 ( 0.193 -9.091 1.551) 9.224 3.444 ( 0.019 -15.536 -22.928) 27.696 3.444 ( -0.019 -15.536 22.928) 27.696 4.741 ( -0.001 8.317 -3.575) 9.053 4.741 ( 0.001 8.317 3.575) 9.053 5.114 ( -2.522 4.980 -0.161) 5.585 5.114 ( 2.522 4.980 0.161) 5.585 5.672 ( -5.474 6.903 -5.918) 10.613 5.672 ( 5.473 6.903 5.918) 10.613 6.115 ( -5.598 -10.338 -1.711) 11.881 6.115 ( 5.598 -10.338 1.711) 11.881 7.507 ( -3.328 9.316 -1.950) 10.083 7.507 ( 3.328 9.316 1.950) 10.083 8.227 ( -0.015 2.934 -10.421) 10.826 8.227 ( 0.015 2.934 10.421) 10.826 8.738 ( -4.139 4.701 -6.820) 9.260 8.738 ( 4.139 4.701 6.820) 9.260 9.154 ( 0.052 6.089 -14.036) 15.300 9.154 ( -0.052 6.089 14.036) 15.300 9.664 ( -0.883 1.228 -1.494) 2.126 9.664 ( 0.883 1.228 1.494) 2.126 10.082 ( -3.604 -16.105 -4.966) 17.234 10.082 ( 3.604 -16.105 4.966) 17.234 10.613 ( -14.554 4.823 0.113) 15.333 10.613 ( 14.554 4.823 -0.113) 15.333 11.234 ( 0.256 -3.063 -7.616) 8.213 11.234 ( -0.256 -3.063 7.616) 8.213 11.460 ( -15.428 0.703 -3.590) 15.855 11.460 ( 15.428 0.703 3.590) 15.855 12.744 ( -14.157 16.262 -9.136) 23.416 12.744 ( 14.157 16.262 9.136) 23.416 13.143 ( -8.262 -1.689 -10.106) 13.162 13.143 ( 8.262 -1.689 10.106) 13.162 14.649 ( -0.188 -17.518 -27.360) 32.488 14.649 ( 0.188 -17.518 27.360) 32.488 ======================= Grid point 609 (301/312) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 0.128 -2.324 -5.971) 6.409 1.891 ( -0.128 -2.324 5.971) 6.409 3.308 ( 0.275 -5.808 -15.126) 16.206 3.308 ( -0.275 -5.808 15.126) 16.206 4.905 ( -0.144 3.368 -0.244) 3.380 4.905 ( 0.144 3.368 0.244) 3.380 5.443 ( -13.409 -0.502 -0.556) 13.429 5.443 ( 13.409 -0.502 0.556) 13.429 5.618 ( 0.018 5.005 -3.478) 6.095 5.618 ( -0.018 5.005 3.478) 6.095 7.015 ( 0.231 11.877 -9.101) 14.965 7.015 ( -0.231 11.877 9.101) 14.965 7.280 ( -2.753 10.513 -6.722) 12.778 7.280 ( 2.753 10.513 6.722) 12.778 7.624 ( -1.853 -4.956 -8.568) 10.070 7.624 ( 1.853 -4.956 8.568) 10.070 9.230 ( -0.067 4.212 -8.804) 9.759 9.230 ( 0.067 4.212 8.804) 9.759 9.327 ( 0.130 7.789 -4.186) 8.843 9.327 ( -0.130 7.789 4.186) 8.843 9.540 ( -5.326 3.863 -5.138) 8.348 9.540 ( 5.326 3.863 5.138) 8.348 9.665 ( -1.164 -6.789 -7.314) 10.047 9.665 ( 1.164 -6.789 7.314) 10.047 10.128 ( -1.060 -12.504 -6.897) 14.319 10.128 ( 1.060 -12.504 6.897) 14.319 10.810 ( -0.954 -9.443 -8.211) 12.550 10.810 ( 0.954 -9.443 8.211) 12.550 11.411 ( 0.015 -0.633 -3.606) 3.662 11.411 ( -0.015 -0.633 3.606) 3.662 12.751 ( -5.559 2.630 -0.601) 6.179 12.751 ( 5.559 2.630 0.601) 6.179 13.718 ( -10.666 -0.577 -0.089) 10.682 13.718 ( 10.666 -0.577 0.089) 10.682 15.125 ( -0.082 -3.294 -5.871) 6.732 15.125 ( 0.082 -3.294 5.871) 6.732 ======================= Grid point 611 (302/312) ======================= q-point: ( 0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 8.658 -2.188 2.187) 9.194 1.991 ( 9.110 -3.318 -2.101) 9.921 3.281 ( -1.767 -5.380 4.865) 7.466 3.310 ( -0.592 -7.139 -3.786) 8.103 4.928 ( 2.383 3.319 -0.318) 4.098 4.934 ( 2.749 3.086 0.137) 4.135 5.243 ( -5.957 -0.086 -0.212) 5.962 5.555 ( -4.936 7.308 -0.092) 8.819 5.576 ( -4.370 5.000 -0.019) 6.641 5.803 ( 20.200 -1.438 0.328) 20.254 6.844 ( -12.975 2.565 1.107) 13.273 6.908 ( -11.264 17.601 -1.371) 20.941 7.134 ( -8.618 12.828 0.125) 15.454 7.426 ( 5.939 4.213 0.049) 7.281 7.535 ( -0.723 -6.265 0.670) 6.342 7.780 ( 7.974 -2.272 0.090) 8.292 9.170 ( -5.900 5.954 -3.227) 8.981 9.190 ( -5.003 3.460 3.576) 7.056 9.259 ( -2.109 5.130 0.749) 5.597 9.376 ( 2.252 5.672 -0.893) 6.168 9.447 ( -0.669 5.609 -0.612) 5.681 9.606 ( 3.528 -8.705 0.972) 9.443 9.702 ( 2.017 -3.151 0.185) 3.746 9.799 ( 10.697 4.542 -0.427) 11.629 10.196 ( 9.731 -4.053 -0.056) 10.541 10.327 ( 11.616 -14.992 0.113) 18.966 10.686 ( -6.509 -4.520 -0.926) 7.978 10.831 ( -1.585 -17.600 0.284) 17.673 11.477 ( 6.992 0.971 -0.383) 7.069 11.479 ( 6.019 0.633 0.169) 6.055 12.556 ( -13.235 -0.237 -0.131) 13.237 12.793 ( -1.692 3.640 0.356) 4.030 13.551 ( -5.312 0.235 -0.272) 5.324 13.938 ( 10.247 1.763 -0.159) 10.399 15.032 ( -8.860 -4.250 -4.671) 10.880 15.037 ( -8.930 -4.616 4.874) 11.172 ======================= Grid point 612 (303/312) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 13.275 -2.928 1.887) 13.724 2.222 ( 13.343 -4.385 -1.828) 14.164 3.242 ( -1.998 -6.158 3.596) 7.406 3.285 ( -1.842 -8.642 -1.807) 9.019 4.991 ( 3.730 3.135 -0.387) 4.888 5.004 ( 3.888 2.828 -0.025) 4.808 5.202 ( 1.383 1.684 -0.170) 2.186 5.404 ( -9.805 8.202 -0.077) 12.783 5.447 ( -7.999 3.716 -0.011) 8.820 6.186 ( 12.012 0.431 0.570) 12.033 6.603 ( -18.143 13.536 0.316) 22.638 6.635 ( -1.727 -3.603 -0.382) 4.014 6.908 ( -13.619 8.304 -0.096) 15.951 7.534 ( 5.825 3.379 0.627) 6.763 7.601 ( 7.029 -3.919 0.506) 8.064 7.930 ( 7.047 -1.587 0.074) 7.224 9.037 ( -6.476 6.689 -1.398) 9.414 9.077 ( -5.241 1.908 2.118) 5.966 9.239 ( -0.288 4.343 0.050) 4.353 9.393 ( -0.795 10.724 -1.203) 10.821 9.473 ( 2.885 -3.116 0.431) 4.268 9.704 ( -0.449 -4.413 -0.163) 4.439 9.857 ( 20.291 -3.550 0.236) 20.601 9.996 ( 7.378 10.630 -0.016) 12.939 10.348 ( -10.003 -3.112 -0.162) 10.477 10.380 ( 5.580 -4.412 0.303) 7.120 10.742 ( 11.602 -12.890 -0.755) 17.359 10.801 ( 0.831 -17.569 0.201) 17.590 11.629 ( 7.705 6.747 -0.605) 10.259 11.681 ( 13.362 2.349 0.034) 13.567 12.259 ( -14.584 -6.825 0.001) 16.102 12.688 ( -8.861 3.835 0.396) 9.663 13.524 ( 2.560 2.848 -0.441) 3.855 14.076 ( 2.189 8.683 -0.262) 8.958 14.779 ( -16.258 -7.883 -2.637) 18.260 14.806 ( -12.796 -9.529 2.978) 16.230 ======================= Grid point 613 (304/312) ======================= q-point: ( 0.30 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 13.080 -3.864 1.032) 13.677 2.491 ( 13.034 -5.258 -1.039) 14.093 3.207 ( -1.479 -7.888 1.798) 8.225 3.242 ( -2.323 -9.706 0.028) 9.980 5.055 ( -0.344 5.555 0.065) 5.566 5.063 ( 2.364 3.010 -0.539) 3.865 5.190 ( -10.433 7.730 -1.061) 13.029 5.213 ( -3.572 2.422 0.745) 4.379 5.371 ( 5.324 0.137 0.105) 5.327 6.112 ( -11.350 -2.402 0.343) 11.606 6.238 ( -17.072 5.765 0.209) 18.020 6.605 ( -16.143 3.634 -0.067) 16.547 6.942 ( 23.716 -0.438 0.229) 23.721 7.665 ( 6.694 8.530 0.716) 10.866 7.796 ( 11.923 -1.510 0.360) 12.024 8.062 ( 6.386 -3.541 0.162) 7.304 8.926 ( -4.671 7.595 -0.421) 8.926 8.991 ( -3.724 0.149 0.702) 3.792 9.242 ( 0.543 5.099 0.072) 5.128 9.364 ( -1.824 9.628 -0.696) 9.824 9.541 ( 3.650 -5.105 0.064) 6.276 9.692 ( -0.771 -3.404 -0.188) 3.495 10.073 ( -0.271 3.625 0.022) 3.635 10.098 ( -12.932 0.279 -0.448) 12.943 10.346 ( 26.828 1.186 1.102) 26.876 10.382 ( -1.794 -7.977 -0.738) 8.209 10.905 ( 7.752 -7.682 -0.635) 10.932 10.957 ( 8.469 -11.905 0.538) 14.620 11.587 ( -15.251 10.339 -0.215) 18.427 12.011 ( 19.794 4.948 -0.058) 20.403 12.205 ( 13.124 -11.594 -0.320) 17.515 12.437 ( -16.211 4.185 0.365) 16.746 13.619 ( 4.945 7.349 -0.583) 8.877 13.958 ( -14.701 16.553 0.167) 22.139 14.425 ( -17.615 -14.488 -0.984) 22.829 14.594 ( -7.552 -16.313 1.077) 18.008 ======================= Grid point 614 (305/312) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 8.647 -4.633 0.292) 9.814 2.712 ( 8.357 -5.845 -0.345) 10.204 3.187 ( -0.543 -9.841 0.581) 9.873 3.200 ( -1.600 -10.321 0.582) 10.461 4.951 ( -6.816 6.911 -0.366) 9.714 4.965 ( -7.973 5.635 0.153) 9.765 5.142 ( 2.141 3.364 -0.128) 3.990 5.187 ( 0.121 -0.713 -0.283) 0.777 5.570 ( 12.441 3.634 0.312) 12.964 5.903 ( -8.519 -2.413 -0.185) 8.857 5.973 ( -8.442 -1.430 0.418) 8.572 6.274 ( -16.742 1.311 -0.013) 16.793 7.392 ( 19.608 2.974 0.345) 19.835 7.755 ( 1.115 11.928 0.221) 11.982 8.047 ( 12.350 -0.885 0.277) 12.385 8.186 ( 5.580 -5.064 0.349) 7.544 8.850 ( -2.878 8.067 -0.023) 8.565 8.912 ( -4.468 0.756 -0.125) 4.533 9.260 ( 1.290 6.132 0.226) 6.270 9.327 ( -1.830 8.046 -0.479) 8.265 9.609 ( 2.879 -5.258 -0.065) 5.995 9.671 ( -1.302 -2.906 -0.128) 3.187 9.877 ( -7.696 -1.160 -0.376) 7.792 9.973 ( -8.049 -9.961 0.218) 12.809 10.443 ( 8.788 2.030 -0.106) 9.020 10.858 ( 17.354 4.951 -0.097) 18.047 11.039 ( 5.101 -5.953 -0.048) 7.840 11.074 ( 4.735 -9.083 0.197) 10.245 11.234 ( -11.951 3.617 -0.014) 12.486 12.033 ( -22.482 5.174 0.382) 23.072 12.478 ( 25.031 7.486 -0.013) 26.126 12.612 ( 24.550 -5.899 -0.458) 25.253 13.544 ( -24.142 14.832 -4.850) 28.746 13.562 ( -15.074 9.521 4.820) 18.469 14.218 ( -0.043 -19.412 -0.533) 19.420 14.470 ( -6.220 -15.058 0.453) 16.299 ======================= Grid point 615 (306/312) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -0.105 -5.452 -0.923) 5.531 2.794 ( 0.105 -5.452 0.923) 5.531 3.183 ( 0.012 -10.712 -13.449) 17.194 3.183 ( -0.012 -10.712 13.449) 17.194 4.876 ( 0.047 5.433 -2.558) 6.005 4.876 ( -0.047 5.433 2.558) 6.005 5.177 ( -0.326 1.818 -2.094) 2.792 5.177 ( 0.326 1.818 2.094) 2.792 5.777 ( -1.996 3.193 -7.853) 8.709 5.777 ( 1.996 3.193 7.853) 8.709 5.976 ( -8.509 -3.835 -1.533) 9.459 5.976 ( 8.509 -3.835 1.533) 9.459 7.680 ( -6.628 8.470 -2.100) 10.958 7.680 ( 6.628 8.470 2.100) 10.958 8.224 ( -0.334 -3.397 -10.712) 11.243 8.224 ( 0.334 -3.397 10.712) 11.243 8.834 ( -0.206 5.675 -8.480) 10.206 8.834 ( 0.206 5.675 8.480) 10.206 9.291 ( -0.137 6.982 -10.533) 12.637 9.291 ( 0.137 6.982 10.533) 12.637 9.646 ( -0.400 -3.059 -1.031) 3.253 9.646 ( 0.400 -3.059 1.031) 3.253 9.839 ( -1.259 -8.454 -2.471) 8.897 9.839 ( 1.259 -8.454 2.471) 8.897 10.704 ( -16.337 4.020 0.143) 16.825 10.704 ( 16.337 4.020 -0.143) 16.825 11.101 ( -0.119 -7.380 -6.451) 9.803 11.101 ( 0.119 -7.380 6.451) 9.803 11.540 ( -25.285 4.611 -0.230) 25.703 11.540 ( 25.285 4.611 0.230) 25.703 12.987 ( -13.903 6.407 -4.767) 16.033 12.987 ( 13.903 6.407 4.767) 16.033 13.151 ( -7.278 5.013 -10.533) 13.749 13.151 ( 7.278 5.013 10.533) 13.749 14.328 ( -0.831 -14.890 -19.926) 24.889 14.328 ( 0.831 -14.890 19.926) 24.889 ======================= Grid point 621 (307/312) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.011 0.000 -0.617) 0.617 1.868 ( 0.011 0.000 0.617) 0.617 3.248 ( -0.324 0.000 -0.087) 0.336 3.248 ( 0.324 0.000 0.087) 0.336 4.940 ( 0.003 0.000 -0.159) 0.159 4.940 ( -0.003 0.000 0.159) 0.159 5.433 ( -13.973 0.000 -0.273) 13.975 5.433 ( 13.973 0.000 0.273) 13.975 5.673 ( -0.000 0.000 -0.207) 0.207 5.673 ( 0.000 0.000 0.207) 0.207 7.133 ( -8.134 0.000 -0.034) 8.134 7.133 ( 8.134 0.000 0.034) 8.134 7.404 ( -0.020 -0.000 -0.260) 0.261 7.404 ( 0.020 0.000 0.260) 0.261 7.552 ( -11.705 0.000 0.709) 11.726 7.552 ( 11.705 0.000 -0.709) 11.726 9.303 ( -1.795 0.000 0.367) 1.832 9.303 ( 1.795 0.000 -0.367) 1.832 9.403 ( 0.025 0.000 -0.702) 0.703 9.403 ( -0.025 0.000 0.702) 0.703 9.575 ( -12.176 0.000 -0.230) 12.178 9.575 ( 12.176 0.000 0.230) 12.178 9.607 ( -1.798 0.000 0.140) 1.804 9.607 ( 1.798 -0.000 -0.140) 1.804 9.965 ( 0.013 0.000 -0.600) 0.600 9.965 ( -0.013 0.000 0.600) 0.600 10.716 ( -0.022 0.000 -0.268) 0.269 10.716 ( 0.022 0.000 0.268) 0.269 11.408 ( 0.014 0.000 -0.220) 0.221 11.408 ( -0.014 0.000 0.220) 0.221 12.777 ( -6.922 0.000 -0.260) 6.927 12.777 ( 6.922 0.000 0.260) 6.927 13.712 ( -11.006 0.000 -0.047) 11.006 13.712 ( 11.006 0.000 0.047) 11.006 15.093 ( 0.004 0.000 -0.387) 0.387 15.093 ( -0.004 0.000 0.387) 0.387 ======================= Grid point 625 (308/312) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 8.523 0.000 -0.854) 8.566 1.958 ( 8.535 -0.000 0.542) 8.552 3.226 ( -1.867 -0.000 0.503) 1.934 3.238 ( -1.327 0.000 0.673) 1.488 4.963 ( 2.312 -0.007 -0.178) 2.319 4.964 ( 2.312 0.007 0.216) 2.322 5.242 ( -5.219 0.000 -0.273) 5.226 5.630 ( -4.483 -0.002 -0.239) 4.489 5.630 ( -4.480 0.002 -0.041) 4.480 5.786 ( 20.926 0.000 0.312) 20.929 6.863 ( -16.684 0.000 0.153) 16.684 7.107 ( -11.314 0.000 -0.043) 11.314 7.296 ( -13.842 -0.000 -1.090) 13.885 7.437 ( 3.554 0.000 0.307) 3.568 7.438 ( 3.521 -0.000 1.765) 3.938 7.761 ( 9.146 0.000 -0.329) 9.152 9.277 ( -2.017 -0.000 2.734) 3.397 9.283 ( -8.653 0.000 -2.066) 8.896 9.285 ( -7.526 -0.000 -1.628) 7.700 9.350 ( 2.553 0.000 2.046) 3.272 9.509 ( 7.060 0.000 -0.178) 7.062 9.567 ( -2.190 0.000 -0.400) 2.226 9.637 ( 1.195 0.000 -0.168) 1.207 9.883 ( 16.056 0.000 0.155) 16.057 10.143 ( 13.888 -0.000 0.289) 13.891 10.143 ( 13.947 0.000 -0.300) 13.951 10.642 ( -6.316 0.000 -0.515) 6.337 10.643 ( -6.261 -0.000 -0.052) 6.261 11.487 ( 7.643 -0.000 0.065) 7.643 11.488 ( 7.660 0.000 -0.398) 7.670 12.554 ( -15.251 0.000 -0.105) 15.252 12.828 ( -1.570 0.000 0.343) 1.607 13.554 ( -4.249 0.000 -0.188) 4.253 13.955 ( 12.431 0.000 -0.102) 12.431 14.990 ( -10.165 0.000 0.474) 10.176 14.991 ( -10.160 -0.000 -0.248) 10.163 ======================= Grid point 627 (309/312) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 12.872 0.000 -1.052) 12.915 2.179 ( 12.879 -0.000 0.551) 12.890 3.179 ( -2.701 -0.000 1.011) 2.884 3.199 ( -2.475 0.000 0.979) 2.662 5.025 ( 3.577 -0.010 -0.250) 3.586 5.025 ( 3.580 0.010 0.175) 3.584 5.223 ( 3.152 0.000 -0.216) 3.159 5.490 ( -9.534 -0.000 -0.115) 9.535 5.490 ( -9.528 0.000 -0.220) 9.531 6.187 ( 12.381 0.000 0.398) 12.388 6.586 ( -4.172 0.000 0.209) 4.177 6.743 ( -22.686 0.000 0.286) 22.688 7.002 ( -15.383 -0.000 -0.460) 15.390 7.558 ( 8.799 0.000 0.264) 8.803 7.559 ( 8.800 -0.000 1.357) 8.904 7.911 ( 5.817 0.000 -0.369) 5.828 9.123 ( -6.825 -0.026 -0.579) 6.850 9.123 ( -6.839 0.026 0.969) 6.907 9.275 ( 0.355 0.000 -0.355) 0.502 9.409 ( 3.165 0.000 0.808) 3.267 9.521 ( -2.373 0.000 -0.579) 2.443 9.653 ( 0.425 0.000 -0.007) 0.425 9.829 ( 23.197 0.000 0.008) 23.197 10.149 ( 10.160 0.000 -0.693) 10.184 10.304 ( -4.143 0.000 0.345) 4.158 10.306 ( -4.211 -0.000 1.338) 4.418 10.606 ( 8.347 -0.000 -1.048) 8.412 10.608 ( 8.252 0.000 -0.345) 8.260 11.704 ( 14.224 -0.000 -0.262) 14.227 11.704 ( 14.230 0.000 -0.563) 14.241 12.184 ( -21.548 0.000 0.200) 21.549 12.725 ( -8.755 0.000 0.386) 8.764 13.555 ( 4.392 0.000 -0.332) 4.405 14.174 ( 8.945 0.000 -0.355) 8.952 14.699 ( -18.802 -0.113 -0.030) 18.802 14.699 ( -18.797 0.113 0.583) 18.806 ======================= Grid point 629 (310/312) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 12.661 0.001 -0.949) 12.696 2.440 ( 12.657 -0.000 0.487) 12.667 3.125 ( -2.517 0.000 1.314) 2.839 3.146 ( -2.710 0.000 0.746) 2.810 5.092 ( 2.496 -0.012 -0.161) 2.501 5.092 ( 2.493 0.012 -0.025) 2.493 5.271 ( -11.227 0.000 -0.209) 11.229 5.272 ( -11.220 -0.000 -0.270) 11.223 5.356 ( 9.941 0.000 0.026) 9.941 6.078 ( -12.516 0.000 0.165) 12.517 6.295 ( -20.779 0.000 0.601) 20.787 6.638 ( -14.961 0.000 -0.069) 14.961 6.945 ( 22.996 0.000 0.176) 22.997 7.781 ( 12.984 0.000 0.502) 12.994 7.781 ( 12.989 -0.000 1.321) 13.055 7.986 ( 1.519 0.000 -0.668) 1.659 9.013 ( -4.403 -0.007 -0.395) 4.421 9.013 ( -4.406 0.007 0.421) 4.426 9.291 ( 1.274 0.000 -0.154) 1.283 9.458 ( -0.470 0.000 0.800) 0.928 9.488 ( 1.242 0.000 -0.810) 1.483 9.653 ( -0.485 0.000 0.058) 0.488 10.101 ( -12.521 -0.000 -0.609) 12.536 10.101 ( -12.507 0.000 0.083) 12.507 10.307 ( 6.795 -0.000 0.467) 6.811 10.362 ( 28.956 0.000 -0.047) 28.956 10.827 ( 10.209 -0.000 -0.195) 10.211 10.828 ( 10.186 0.000 -0.082) 10.186 11.719 ( -24.505 0.000 -0.266) 24.506 12.061 ( 21.670 0.000 0.271) 21.671 12.062 ( 21.674 -0.000 -0.565) 21.681 12.476 ( -16.260 0.000 0.388) 16.265 13.715 ( 10.862 0.000 -0.533) 10.875 14.258 ( -24.324 -0.001 -4.634) 24.761 14.259 ( -24.948 0.001 0.214) 24.949 14.296 ( 2.353 -0.000 4.791) 5.338 ======================= Grid point 631 (311/312) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 8.268 0.000 -0.514) 8.284 2.655 ( 8.243 -0.000 0.301) 8.249 3.085 ( -1.355 0.000 1.142) 1.771 3.098 ( -1.901 0.000 0.106) 1.904 5.021 ( -8.033 -0.013 -0.156) 8.035 5.021 ( -8.030 0.013 -0.016) 8.030 5.177 ( 1.109 -0.000 0.144) 1.118 5.177 ( 1.097 0.000 -0.500) 1.206 5.603 ( 14.257 0.000 0.128) 14.258 5.868 ( -7.524 0.000 -0.023) 7.524 5.963 ( -11.762 0.000 0.581) 11.776 6.295 ( -17.906 0.000 -0.106) 17.906 7.422 ( 22.103 0.000 0.309) 22.105 7.957 ( -4.683 -0.000 1.216) 4.838 8.037 ( 11.334 -0.002 -1.525) 11.436 8.038 ( 11.373 0.002 1.099) 11.426 8.940 ( -3.016 -0.000 -0.295) 3.030 8.940 ( -3.015 0.000 0.087) 3.016 9.324 ( 1.944 0.000 0.026) 1.944 9.416 ( -2.497 0.000 -0.090) 2.499 9.543 ( 2.950 0.000 0.010) 2.950 9.634 ( -1.442 0.000 0.039) 1.443 9.869 ( -9.554 0.000 -0.307) 9.559 9.870 ( -9.566 -0.000 -0.055) 9.566 10.469 ( 10.463 0.000 -0.109) 10.464 10.908 ( 19.477 0.000 -0.252) 19.479 10.976 ( 4.755 0.000 0.063) 4.755 10.977 ( 5.082 -0.000 0.164) 5.084 11.274 ( -13.773 0.000 0.022) 13.773 12.085 ( -22.783 0.000 0.409) 22.787 12.551 ( 26.847 0.000 0.093) 26.847 12.551 ( 26.843 -0.000 -0.466) 26.847 13.726 ( -28.054 -0.001 -0.735) 28.063 13.726 ( -28.064 0.001 -0.088) 28.064 13.951 ( 11.975 0.000 0.523) 11.987 14.289 ( -3.460 0.000 0.201) 3.466 ======================= Grid point 633 (312/312) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 0.011 0.000 -0.167) 0.167 2.741 ( -0.011 0.000 0.167) 0.167 3.075 ( -0.348 0.000 -0.542) 0.644 3.075 ( 0.348 0.000 0.542) 0.644 4.930 ( 0.004 0.000 -0.085) 0.085 4.930 ( -0.004 -0.000 0.085) 0.085 5.193 ( -0.004 0.000 -0.485) 0.485 5.193 ( 0.004 -0.000 0.485) 0.485 5.796 ( -0.464 0.000 -0.465) 0.657 5.796 ( 0.464 0.000 0.465) 0.657 5.952 ( -15.122 0.000 0.037) 15.122 5.952 ( 15.122 0.000 -0.037) 15.122 7.780 ( -13.442 0.000 -0.080) 13.442 7.780 ( 13.442 0.000 0.080) 13.442 8.166 ( 0.015 -0.000 -0.751) 0.751 8.166 ( -0.015 0.000 0.751) 0.751 8.905 ( -0.002 0.000 -0.108) 0.108 8.905 ( 0.002 0.000 0.108) 0.108 9.367 ( -2.357 0.000 -0.106) 2.359 9.367 ( 2.357 0.000 0.106) 2.359 9.596 ( -2.322 0.000 -0.033) 2.322 9.596 ( 2.322 0.000 0.033) 2.322 9.766 ( 0.013 0.000 -0.054) 0.056 9.766 ( -0.013 0.000 0.054) 0.056 10.746 ( -17.103 -0.000 0.145) 17.104 10.746 ( 17.103 0.000 -0.145) 17.104 11.022 ( 0.012 0.000 -0.005) 0.013 11.022 ( -0.012 0.000 0.005) 0.013 11.588 ( -26.459 0.000 0.326) 26.461 11.588 ( 26.459 0.000 -0.326) 26.461 13.019 ( -0.046 0.000 -0.411) 0.413 13.019 ( 0.046 0.000 0.411) 0.413 13.247 ( -0.042 0.000 -0.048) 0.064 13.247 ( 0.042 0.000 0.048) 0.064 14.164 ( -8.897 0.000 0.025) 8.897 14.164 ( 8.897 0.000 -0.025) 8.897 =================== 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 3/36000 10.0 538.527 692.187 619.266 0.000 -50.572 0.000 3/36000 20.0 586.962 765.480 620.754 0.000 -36.472 0.000 3/36000 30.0 306.373 436.438 382.406 0.000 -15.550 0.000 3/36000 40.0 167.817 253.593 234.284 0.000 -7.769 0.000 3/36000 50.0 102.962 161.151 153.565 0.000 -4.569 0.000 3/36000 60.0 68.973 110.465 107.268 0.000 -2.994 0.000 3/36000 70.0 49.286 80.364 78.987 0.000 -2.111 0.000 3/36000 80.0 37.025 61.330 60.770 0.000 -1.571 0.000 3/36000 90.0 28.964 48.666 48.496 0.000 -1.219 0.000 3/36000 100.0 23.431 39.868 39.894 0.000 -0.980 0.000 3/36000 110.0 19.492 33.524 33.652 0.000 -0.810 0.000 3/36000 120.0 16.597 28.802 28.982 0.000 -0.685 0.000 3/36000 130.0 14.408 25.185 25.392 0.000 -0.591 0.000 3/36000 140.0 12.711 22.348 22.567 0.000 -0.518 0.000 3/36000 150.0 11.366 20.074 20.297 0.000 -0.460 0.000 3/36000 160.0 10.279 18.218 18.440 0.000 -0.413 0.000 3/36000 170.0 9.385 16.677 16.896 0.000 -0.375 0.000 3/36000 180.0 8.638 15.380 15.594 0.000 -0.343 0.000 3/36000 190.0 8.006 14.275 14.483 0.000 -0.316 0.000 3/36000 200.0 7.464 13.322 13.524 0.000 -0.293 0.000 3/36000 210.0 6.994 12.492 12.688 0.000 -0.273 0.000 3/36000 220.0 6.583 11.763 11.953 0.000 -0.256 0.000 3/36000 230.0 6.220 11.118 11.302 0.000 -0.241 0.000 3/36000 240.0 5.898 10.542 10.721 0.000 -0.227 0.000 3/36000 250.0 5.609 10.026 10.199 0.000 -0.215 0.000 3/36000 260.0 5.349 9.560 9.728 0.000 -0.205 0.000 3/36000 270.0 5.113 9.137 9.300 0.000 -0.195 0.000 3/36000 280.0 4.899 8.752 8.910 0.000 -0.186 0.000 3/36000 290.0 4.702 8.399 8.553 0.000 -0.178 0.000 3/36000 300.0 4.522 8.075 8.224 0.000 -0.171 0.000 3/36000 310.0 4.355 7.776 7.921 0.000 -0.164 0.000 3/36000 320.0 4.202 7.499 7.640 0.000 -0.158 0.000 3/36000 330.0 4.059 7.242 7.379 0.000 -0.152 0.000 3/36000 340.0 3.926 7.002 7.136 0.000 -0.147 0.000 3/36000 350.0 3.802 6.779 6.909 0.000 -0.142 0.000 3/36000 360.0 3.685 6.570 6.697 0.000 -0.138 0.000 3/36000 370.0 3.576 6.374 6.498 0.000 -0.133 0.000 3/36000 380.0 3.474 6.189 6.311 0.000 -0.129 0.000 3/36000 390.0 3.377 6.016 6.134 0.000 -0.125 0.000 3/36000 400.0 3.286 5.852 5.968 0.000 -0.122 0.000 3/36000 410.0 3.200 5.697 5.810 0.000 -0.119 0.000 3/36000 420.0 3.118 5.551 5.661 0.000 -0.115 0.000 3/36000 430.0 3.041 5.411 5.520 0.000 -0.112 0.000 3/36000 440.0 2.967 5.279 5.385 0.000 -0.110 0.000 3/36000 450.0 2.897 5.154 5.257 0.000 -0.107 0.000 3/36000 460.0 2.831 5.034 5.136 0.000 -0.104 0.000 3/36000 470.0 2.767 4.920 5.020 0.000 -0.102 0.000 3/36000 480.0 2.706 4.811 4.909 0.000 -0.100 0.000 3/36000 490.0 2.648 4.707 4.803 0.000 -0.097 0.000 3/36000 500.0 2.593 4.608 4.702 0.000 -0.095 0.000 3/36000 510.0 2.540 4.513 4.605 0.000 -0.093 0.000 3/36000 520.0 2.489 4.421 4.512 0.000 -0.091 0.000 3/36000 530.0 2.440 4.334 4.422 0.000 -0.089 0.000 3/36000 540.0 2.393 4.250 4.337 0.000 -0.088 0.000 3/36000 550.0 2.348 4.169 4.254 0.000 -0.086 0.000 3/36000 560.0 2.304 4.091 4.175 0.000 -0.084 0.000 3/36000 570.0 2.262 4.016 4.099 0.000 -0.083 0.000 3/36000 580.0 2.222 3.944 4.025 0.000 -0.081 0.000 3/36000 590.0 2.183 3.874 3.954 0.000 -0.080 0.000 3/36000 600.0 2.145 3.807 3.886 0.000 -0.078 0.000 3/36000 610.0 2.109 3.742 3.820 0.000 -0.077 0.000 3/36000 620.0 2.074 3.680 3.756 0.000 -0.076 0.000 3/36000 630.0 2.040 3.619 3.694 0.000 -0.074 0.000 3/36000 640.0 2.008 3.561 3.635 0.000 -0.073 0.000 3/36000 650.0 1.976 3.504 3.577 0.000 -0.072 0.000 3/36000 660.0 1.945 3.449 3.521 0.000 -0.071 0.000 3/36000 670.0 1.915 3.396 3.467 0.000 -0.070 0.000 3/36000 680.0 1.887 3.345 3.415 0.000 -0.069 0.000 3/36000 690.0 1.859 3.295 3.364 0.000 -0.068 0.000 3/36000 700.0 1.831 3.247 3.314 0.000 -0.067 0.000 3/36000 710.0 1.805 3.200 3.267 0.000 -0.066 0.000 3/36000 720.0 1.779 3.154 3.220 0.000 -0.065 0.000 3/36000 730.0 1.755 3.110 3.175 0.000 -0.064 0.000 3/36000 740.0 1.730 3.067 3.131 0.000 -0.063 0.000 3/36000 750.0 1.707 3.025 3.088 0.000 -0.062 0.000 3/36000 760.0 1.684 2.984 3.046 0.000 -0.061 0.000 3/36000 770.0 1.662 2.944 3.006 0.000 -0.060 0.000 3/36000 780.0 1.640 2.906 2.967 0.000 -0.059 0.000 3/36000 790.0 1.619 2.868 2.928 0.000 -0.059 0.000 3/36000 800.0 1.598 2.831 2.891 0.000 -0.058 0.000 3/36000 810.0 1.578 2.796 2.855 0.000 -0.057 0.000 3/36000 820.0 1.559 2.761 2.819 0.000 -0.056 0.000 3/36000 830.0 1.540 2.727 2.784 0.000 -0.056 0.000 3/36000 840.0 1.521 2.694 2.751 0.000 -0.055 0.000 3/36000 850.0 1.503 2.662 2.718 0.000 -0.054 0.000 3/36000 860.0 1.485 2.630 2.686 0.000 -0.054 0.000 3/36000 870.0 1.468 2.599 2.654 0.000 -0.053 0.000 3/36000 880.0 1.451 2.569 2.623 0.000 -0.053 0.000 3/36000 890.0 1.435 2.540 2.593 0.000 -0.052 0.000 3/36000 900.0 1.418 2.511 2.564 0.000 -0.051 0.000 3/36000 910.0 1.403 2.483 2.536 0.000 -0.051 0.000 3/36000 920.0 1.387 2.456 2.508 0.000 -0.050 0.000 3/36000 930.0 1.372 2.429 2.480 0.000 -0.050 0.000 3/36000 940.0 1.357 2.403 2.453 0.000 -0.049 0.000 3/36000 950.0 1.343 2.377 2.427 0.000 -0.049 0.000 3/36000 960.0 1.329 2.352 2.402 0.000 -0.048 0.000 3/36000 970.0 1.315 2.327 2.376 0.000 -0.048 0.000 3/36000 980.0 1.301 2.303 2.352 0.000 -0.047 0.000 3/36000 990.0 1.288 2.279 2.328 0.000 -0.047 0.000 3/36000 1000.0 1.275 2.256 2.304 0.000 -0.046 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:57:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|