----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:51:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.493175510057821 1.439435551868863 4.614447046666661 b -2.493175510057816 1.439435551868863 4.614447046666661 c 0.000000000000003 -2.878871103737730 4.614447046666661 Atomic positions (fractional): *1 O 0.95406889709006 0.56083352127095 0.21568017487577 15.999 2 O 0.21568017487577 0.95406889709006 0.56083352127095 15.999 3 O 0.56083352127095 0.21568017487577 0.95406889709006 15.999 4 O 0.04593110290994 0.43916647872905 0.78431982512423 15.999 5 O 0.43916647872905 0.78431982512423 0.04593110290994 15.999 6 O 0.78431982512423 0.04593110290994 0.43916647872905 15.999 *7 Zn 0.63244874131722 0.63244874131722 0.63244874131722 65.380 8 Zn 0.36755125868278 0.36755125868278 0.36755125868278 65.380 *9 Ge 0.84411277567859 0.84411277567859 0.84411277567859 72.640 10 Ge 0.15588722432141 0.15588722432141 0.15588722432141 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.986351020115638 0.000000000000000 0.000000000000000 b -2.493175510057819 4.318306655606593 0.000000000000000 c 0.000000000000000 0.000000000000000 13.843341139999996 Atomic positions (fractional): *1 O 0.71054136601114 0.02784735620316 0.24352753107893 15.999 > 1 2 O 0.97215264379684 0.68269400980798 0.24352753107893 15.999 > 2 3 O 0.31730599019202 0.28945863398886 0.24352753107893 15.999 > 3 4 O 0.95612530065553 0.30548597713018 0.08980580225441 15.999 > 4 5 O 0.34936067647465 0.04387469934447 0.08980580225441 15.999 > 5 6 O 0.69451402286982 0.65063932352535 0.08980580225441 15.999 > 6 7 O 0.37720803267780 0.36118068953649 0.57686086441226 15.999 > 1 8 O 0.63881931046351 0.01602734314131 0.57686086441226 15.999 > 2 9 O 0.98397265685869 0.62279196732220 0.57686086441226 15.999 > 3 10 O 0.62279196732220 0.63881931046351 0.42313913558774 15.999 > 4 11 O 0.01602734314131 0.37720803267780 0.42313913558774 15.999 > 5 12 O 0.36118068953649 0.98397265685869 0.42313913558774 15.999 > 6 13 O 0.04387469934447 0.69451402286982 0.91019419774559 15.999 > 1 14 O 0.30548597713018 0.34936067647465 0.91019419774559 15.999 > 2 15 O 0.65063932352535 0.95612530065553 0.91019419774559 15.999 > 3 16 O 0.28945863398886 0.97215264379684 0.75647246892107 15.999 > 4 17 O 0.68269400980798 0.71054136601114 0.75647246892107 15.999 > 5 18 O 0.02784735620316 0.31730599019202 0.75647246892107 15.999 > 6 *19 Zn 0.33333333333333 0.66666666666667 0.29911540798389 65.380 > 7 20 Zn 0.33333333333333 0.66666666666667 0.03421792534945 65.380 > 8 21 Zn 0.00000000000000 0.00000000000000 0.63244874131722 65.380 > 7 22 Zn 0.00000000000000 0.00000000000000 0.36755125868278 65.380 > 8 23 Zn 0.66666666666667 0.33333333333333 0.96578207465055 65.380 > 7 24 Zn 0.66666666666667 0.33333333333333 0.70088459201611 65.380 > 8 *25 Ge 0.66666666666667 0.33333333333333 0.17744610901192 72.640 > 9 26 Ge 0.00000000000000 0.00000000000000 0.15588722432141 72.640 > 10 27 Ge 0.33333333333333 0.66666666666667 0.51077944234526 72.640 > 9 28 Ge 0.66666666666667 0.33333333333333 0.48922055765474 72.640 > 10 29 Ge 0.00000000000000 0.00000000000000 0.84411277567859 72.640 > 9 30 Ge 0.33333333333333 0.66666666666667 0.82255389098808 72.640 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.972702040231276 0.000000000000000 0.000000000000000 b -4.986351020115638 8.636613311213186 0.000000000000000 c 0.000000000000000 0.000000000000000 13.843341139999996 Atomic positions (fractional): *1 O 0.35527068300557 0.01392367810158 0.24352753107893 15.999 > 1 2 O 0.85527068300557 0.01392367810158 0.24352753107893 15.999 > 1 3 O 0.35527068300557 0.51392367810158 0.24352753107893 15.999 > 1 4 O 0.85527068300557 0.51392367810158 0.24352753107893 15.999 > 1 5 O 0.48607632189842 0.34134700490399 0.24352753107893 15.999 > 2 6 O 0.98607632189842 0.34134700490399 0.24352753107893 15.999 > 2 7 O 0.48607632189842 0.84134700490399 0.24352753107893 15.999 > 2 8 O 0.98607632189842 0.84134700490399 0.24352753107893 15.999 > 2 9 O 0.15865299509601 0.14472931699443 0.24352753107893 15.999 > 3 10 O 0.65865299509601 0.14472931699443 0.24352753107893 15.999 > 3 11 O 0.15865299509601 0.64472931699443 0.24352753107893 15.999 > 3 12 O 0.65865299509601 0.64472931699443 0.24352753107893 15.999 > 3 13 O 0.47806265032777 0.15274298856509 0.08980580225441 15.999 > 4 14 O 0.97806265032777 0.15274298856509 0.08980580225441 15.999 > 4 15 O 0.47806265032777 0.65274298856509 0.08980580225441 15.999 > 4 16 O 0.97806265032777 0.65274298856509 0.08980580225441 15.999 > 4 17 O 0.17468033823732 0.02193734967223 0.08980580225441 15.999 > 5 18 O 0.67468033823732 0.02193734967223 0.08980580225441 15.999 > 5 19 O 0.17468033823732 0.52193734967223 0.08980580225441 15.999 > 5 20 O 0.67468033823732 0.52193734967223 0.08980580225441 15.999 > 5 21 O 0.34725701143491 0.32531966176268 0.08980580225441 15.999 > 6 22 O 0.84725701143491 0.32531966176268 0.08980580225441 15.999 > 6 23 O 0.34725701143491 0.82531966176268 0.08980580225441 15.999 > 6 24 O 0.84725701143491 0.82531966176268 0.08980580225441 15.999 > 6 25 O 0.18860401633890 0.18059034476824 0.57686086441226 15.999 > 1 26 O 0.68860401633890 0.18059034476824 0.57686086441226 15.999 > 1 27 O 0.18860401633890 0.68059034476824 0.57686086441226 15.999 > 1 28 O 0.68860401633890 0.68059034476824 0.57686086441226 15.999 > 1 29 O 0.31940965523176 0.00801367157066 0.57686086441226 15.999 > 2 30 O 0.81940965523176 0.00801367157066 0.57686086441226 15.999 > 2 31 O 0.31940965523176 0.50801367157066 0.57686086441226 15.999 > 2 32 O 0.81940965523176 0.50801367157066 0.57686086441226 15.999 > 2 33 O 0.49198632842934 0.31139598366110 0.57686086441226 15.999 > 3 34 O 0.99198632842934 0.31139598366110 0.57686086441226 15.999 > 3 35 O 0.49198632842934 0.81139598366110 0.57686086441226 15.999 > 3 36 O 0.99198632842934 0.81139598366110 0.57686086441226 15.999 > 3 37 O 0.31139598366110 0.31940965523176 0.42313913558774 15.999 > 4 38 O 0.81139598366110 0.31940965523176 0.42313913558774 15.999 > 4 39 O 0.31139598366110 0.81940965523176 0.42313913558774 15.999 > 4 40 O 0.81139598366110 0.81940965523176 0.42313913558774 15.999 > 4 41 O 0.00801367157066 0.18860401633890 0.42313913558774 15.999 > 5 42 O 0.50801367157066 0.18860401633890 0.42313913558774 15.999 > 5 43 O 0.00801367157066 0.68860401633890 0.42313913558774 15.999 > 5 44 O 0.50801367157066 0.68860401633890 0.42313913558774 15.999 > 5 45 O 0.18059034476824 0.49198632842934 0.42313913558774 15.999 > 6 46 O 0.68059034476824 0.49198632842934 0.42313913558774 15.999 > 6 47 O 0.18059034476824 0.99198632842934 0.42313913558774 15.999 > 6 48 O 0.68059034476824 0.99198632842934 0.42313913558774 15.999 > 6 49 O 0.02193734967223 0.34725701143491 0.91019419774559 15.999 > 1 50 O 0.52193734967223 0.34725701143491 0.91019419774559 15.999 > 1 51 O 0.02193734967223 0.84725701143491 0.91019419774559 15.999 > 1 52 O 0.52193734967223 0.84725701143491 0.91019419774559 15.999 > 1 53 O 0.15274298856509 0.17468033823732 0.91019419774559 15.999 > 2 54 O 0.65274298856509 0.17468033823732 0.91019419774559 15.999 > 2 55 O 0.15274298856509 0.67468033823732 0.91019419774559 15.999 > 2 56 O 0.65274298856509 0.67468033823732 0.91019419774559 15.999 > 2 57 O 0.32531966176268 0.47806265032777 0.91019419774559 15.999 > 3 58 O 0.82531966176268 0.47806265032777 0.91019419774559 15.999 > 3 59 O 0.32531966176268 0.97806265032777 0.91019419774559 15.999 > 3 60 O 0.82531966176268 0.97806265032777 0.91019419774559 15.999 > 3 61 O 0.14472931699443 0.48607632189842 0.75647246892107 15.999 > 4 62 O 0.64472931699443 0.48607632189842 0.75647246892107 15.999 > 4 63 O 0.14472931699443 0.98607632189842 0.75647246892107 15.999 > 4 64 O 0.64472931699443 0.98607632189842 0.75647246892107 15.999 > 4 65 O 0.34134700490399 0.35527068300557 0.75647246892107 15.999 > 5 66 O 0.84134700490399 0.35527068300557 0.75647246892107 15.999 > 5 67 O 0.34134700490399 0.85527068300557 0.75647246892107 15.999 > 5 68 O 0.84134700490399 0.85527068300557 0.75647246892107 15.999 > 5 69 O 0.01392367810158 0.15865299509601 0.75647246892107 15.999 > 6 70 O 0.51392367810158 0.15865299509601 0.75647246892107 15.999 > 6 71 O 0.01392367810158 0.65865299509601 0.75647246892107 15.999 > 6 72 O 0.51392367810158 0.65865299509601 0.75647246892107 15.999 > 6 *73 Zn 0.16666666666667 0.33333333333333 0.29911540798389 65.380 > 7 74 Zn 0.66666666666667 0.33333333333333 0.29911540798389 65.380 > 7 75 Zn 0.16666666666667 0.83333333333333 0.29911540798389 65.380 > 7 76 Zn 0.66666666666667 0.83333333333333 0.29911540798389 65.380 > 7 77 Zn 0.16666666666667 0.33333333333333 0.03421792534945 65.380 > 8 78 Zn 0.66666666666667 0.33333333333333 0.03421792534945 65.380 > 8 79 Zn 0.16666666666667 0.83333333333333 0.03421792534945 65.380 > 8 80 Zn 0.66666666666667 0.83333333333333 0.03421792534945 65.380 > 8 81 Zn 0.00000000000000 0.00000000000000 0.63244874131722 65.380 > 7 82 Zn 0.50000000000000 0.00000000000000 0.63244874131722 65.380 > 7 83 Zn 0.00000000000000 0.50000000000000 0.63244874131722 65.380 > 7 84 Zn 0.50000000000000 0.50000000000000 0.63244874131722 65.380 > 7 85 Zn 0.00000000000000 0.00000000000000 0.36755125868278 65.380 > 8 86 Zn 0.50000000000000 0.00000000000000 0.36755125868278 65.380 > 8 87 Zn 0.00000000000000 0.50000000000000 0.36755125868278 65.380 > 8 88 Zn 0.50000000000000 0.50000000000000 0.36755125868278 65.380 > 8 89 Zn 0.33333333333333 0.16666666666667 0.96578207465055 65.380 > 7 90 Zn 0.83333333333333 0.16666666666667 0.96578207465055 65.380 > 7 91 Zn 0.33333333333333 0.66666666666667 0.96578207465055 65.380 > 7 92 Zn 0.83333333333333 0.66666666666667 0.96578207465055 65.380 > 7 93 Zn 0.33333333333333 0.16666666666667 0.70088459201611 65.380 > 8 94 Zn 0.83333333333333 0.16666666666667 0.70088459201611 65.380 > 8 95 Zn 0.33333333333333 0.66666666666667 0.70088459201611 65.380 > 8 96 Zn 0.83333333333333 0.66666666666667 0.70088459201611 65.380 > 8 *97 Ge 0.33333333333333 0.16666666666667 0.17744610901192 72.640 > 9 98 Ge 0.83333333333333 0.16666666666667 0.17744610901192 72.640 > 9 99 Ge 0.33333333333333 0.66666666666667 0.17744610901192 72.640 > 9 100 Ge 0.83333333333333 0.66666666666667 0.17744610901192 72.640 > 9 101 Ge 0.00000000000000 0.00000000000000 0.15588722432141 72.640 > 10 102 Ge 0.50000000000000 0.00000000000000 0.15588722432141 72.640 > 10 103 Ge 0.00000000000000 0.50000000000000 0.15588722432141 72.640 > 10 104 Ge 0.50000000000000 0.50000000000000 0.15588722432141 72.640 > 10 105 Ge 0.16666666666667 0.33333333333333 0.51077944234526 72.640 > 9 106 Ge 0.66666666666667 0.33333333333333 0.51077944234526 72.640 > 9 107 Ge 0.16666666666667 0.83333333333333 0.51077944234526 72.640 > 9 108 Ge 0.66666666666667 0.83333333333333 0.51077944234526 72.640 > 9 109 Ge 0.33333333333333 0.16666666666667 0.48922055765474 72.640 > 10 110 Ge 0.83333333333333 0.16666666666667 0.48922055765474 72.640 > 10 111 Ge 0.33333333333333 0.66666666666667 0.48922055765474 72.640 > 10 112 Ge 0.83333333333333 0.66666666666667 0.48922055765474 72.640 > 10 113 Ge 0.00000000000000 0.00000000000000 0.84411277567859 72.640 > 9 114 Ge 0.50000000000000 0.00000000000000 0.84411277567859 72.640 > 9 115 Ge 0.00000000000000 0.50000000000000 0.84411277567859 72.640 > 9 116 Ge 0.50000000000000 0.50000000000000 0.84411277567859 72.640 > 9 117 Ge 0.16666666666667 0.33333333333333 0.82255389098808 72.640 > 10 118 Ge 0.66666666666667 0.33333333333333 0.82255389098808 72.640 > 10 119 Ge 0.16666666666667 0.83333333333333 0.82255389098808 72.640 > 10 120 Ge 0.66666666666667 0.83333333333333 0.82255389098808 72.640 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4807462 0.0000000 0.0000000 -0.0000000 4.4807462 0.0000000 0.0000000 0.0000000 4.2874747 -------------------------- Born effective charges -------------------------- 1 O -2.3063063 0.2121654 0.0691644 0.2007204 -2.0161035 0.3628297 0.0380272 0.4787522 -1.9893043 2 O -1.9098694 0.0281625 -0.3488019 0.0167175 -2.4125404 -0.1215168 -0.4336252 -0.2064436 -1.9893043 3 O -2.2674390 -0.2231604 0.2796376 -0.2346054 -2.0549708 -0.2413130 0.3955979 -0.2723086 -1.9893043 4 O -2.3063063 0.2121654 0.0691644 0.2007204 -2.0161035 0.3628297 0.0380272 0.4787522 -1.9893043 5 O -2.2674390 -0.2231604 0.2796376 -0.2346054 -2.0549708 -0.2413130 0.3955979 -0.2723086 -1.9893043 6 O -1.9098694 0.0281625 -0.3488019 0.0167175 -2.4125404 -0.1215168 -0.4336252 -0.2064436 -1.9893043 7 Zn 2.3451841 0.0366858 0.0000000 -0.0366858 2.3451841 0.0000000 0.0000000 0.0000000 2.5977177 8 Zn 2.3451841 0.0366858 0.0000000 -0.0366858 2.3451841 0.0000000 0.0000000 0.0000000 2.5977177 9 Ge 4.1384306 -0.0538533 0.0000000 0.0538533 4.1384306 0.0000000 0.0000000 0.0000000 3.3701951 10 Ge 4.1384306 -0.0538533 0.0000000 0.0538533 4.1384306 0.0000000 0.0000000 0.0000000 3.3701951 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 240 - Time: 1.061 Solver_block: 200 / 240 - Time: 1.052 Solver_block: 240 / 240 - Time: 0.480 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.618 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), 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 22:51:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:51:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.493175510057821 1.439435551868863 4.614447046666661 b -2.493175510057816 1.439435551868863 4.614447046666661 c 0.000000000000003 -2.878871103737730 4.614447046666661 Atomic positions (fractional): 1 O 0.95406889709006 0.56083352127095 0.21568017487577 15.999 2 O 0.21568017487577 0.95406889709006 0.56083352127095 15.999 3 O 0.56083352127095 0.21568017487577 0.95406889709006 15.999 4 O 0.04593110290994 0.43916647872905 0.78431982512423 15.999 5 O 0.43916647872905 0.78431982512423 0.04593110290994 15.999 6 O 0.78431982512423 0.04593110290994 0.43916647872905 15.999 7 Zn 0.63244874131722 0.63244874131722 0.63244874131722 65.380 8 Zn 0.36755125868278 0.36755125868278 0.36755125868278 65.380 9 Ge 0.84411277567859 0.84411277567859 0.84411277567859 72.640 10 Ge 0.15588722432141 0.15588722432141 0.15588722432141 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.972702040231276 0.000000000000000 0.000000000000000 b -4.986351020115638 8.636613311213186 0.000000000000000 c 0.000000000000000 0.000000000000000 13.843341139999996 Atomic positions (fractional): 1 O 0.35527068300557 0.01392367810158 0.24352753107893 15.999 > 1 2 O 0.85527068300557 0.01392367810158 0.24352753107893 15.999 > 1 3 O 0.35527068300557 0.51392367810158 0.24352753107893 15.999 > 1 4 O 0.85527068300557 0.51392367810158 0.24352753107893 15.999 > 1 5 O 0.48607632189842 0.34134700490399 0.24352753107893 15.999 > 5 6 O 0.98607632189842 0.34134700490399 0.24352753107893 15.999 > 5 7 O 0.48607632189842 0.84134700490399 0.24352753107893 15.999 > 5 8 O 0.98607632189842 0.84134700490399 0.24352753107893 15.999 > 5 9 O 0.15865299509601 0.14472931699443 0.24352753107893 15.999 > 9 10 O 0.65865299509601 0.14472931699443 0.24352753107893 15.999 > 9 11 O 0.15865299509601 0.64472931699443 0.24352753107893 15.999 > 9 12 O 0.65865299509601 0.64472931699443 0.24352753107893 15.999 > 9 13 O 0.47806265032777 0.15274298856509 0.08980580225441 15.999 > 13 14 O 0.97806265032777 0.15274298856509 0.08980580225441 15.999 > 13 15 O 0.47806265032777 0.65274298856509 0.08980580225441 15.999 > 13 16 O 0.97806265032777 0.65274298856509 0.08980580225441 15.999 > 13 17 O 0.17468033823732 0.02193734967223 0.08980580225441 15.999 > 17 18 O 0.67468033823732 0.02193734967223 0.08980580225441 15.999 > 17 19 O 0.17468033823732 0.52193734967223 0.08980580225441 15.999 > 17 20 O 0.67468033823732 0.52193734967223 0.08980580225441 15.999 > 17 21 O 0.34725701143491 0.32531966176268 0.08980580225441 15.999 > 21 22 O 0.84725701143491 0.32531966176268 0.08980580225441 15.999 > 21 23 O 0.34725701143491 0.82531966176268 0.08980580225441 15.999 > 21 24 O 0.84725701143491 0.82531966176268 0.08980580225441 15.999 > 21 25 O 0.18860401633890 0.18059034476824 0.57686086441226 15.999 > 1 26 O 0.68860401633890 0.18059034476824 0.57686086441226 15.999 > 1 27 O 0.18860401633890 0.68059034476824 0.57686086441226 15.999 > 1 28 O 0.68860401633890 0.68059034476824 0.57686086441226 15.999 > 1 29 O 0.31940965523176 0.00801367157066 0.57686086441226 15.999 > 5 30 O 0.81940965523176 0.00801367157066 0.57686086441226 15.999 > 5 31 O 0.31940965523176 0.50801367157066 0.57686086441226 15.999 > 5 32 O 0.81940965523176 0.50801367157066 0.57686086441226 15.999 > 5 33 O 0.49198632842934 0.31139598366110 0.57686086441226 15.999 > 9 34 O 0.99198632842934 0.31139598366110 0.57686086441226 15.999 > 9 35 O 0.49198632842934 0.81139598366110 0.57686086441226 15.999 > 9 36 O 0.99198632842934 0.81139598366110 0.57686086441226 15.999 > 9 37 O 0.31139598366110 0.31940965523176 0.42313913558774 15.999 > 13 38 O 0.81139598366110 0.31940965523176 0.42313913558774 15.999 > 13 39 O 0.31139598366110 0.81940965523176 0.42313913558774 15.999 > 13 40 O 0.81139598366110 0.81940965523176 0.42313913558774 15.999 > 13 41 O 0.00801367157066 0.18860401633890 0.42313913558774 15.999 > 17 42 O 0.50801367157066 0.18860401633890 0.42313913558774 15.999 > 17 43 O 0.00801367157066 0.68860401633890 0.42313913558774 15.999 > 17 44 O 0.50801367157066 0.68860401633890 0.42313913558774 15.999 > 17 45 O 0.18059034476824 0.49198632842934 0.42313913558774 15.999 > 21 46 O 0.68059034476824 0.49198632842934 0.42313913558774 15.999 > 21 47 O 0.18059034476824 0.99198632842934 0.42313913558774 15.999 > 21 48 O 0.68059034476824 0.99198632842934 0.42313913558774 15.999 > 21 49 O 0.02193734967223 0.34725701143491 0.91019419774559 15.999 > 1 50 O 0.52193734967223 0.34725701143491 0.91019419774559 15.999 > 1 51 O 0.02193734967223 0.84725701143491 0.91019419774559 15.999 > 1 52 O 0.52193734967223 0.84725701143491 0.91019419774559 15.999 > 1 53 O 0.15274298856509 0.17468033823732 0.91019419774559 15.999 > 5 54 O 0.65274298856509 0.17468033823732 0.91019419774559 15.999 > 5 55 O 0.15274298856509 0.67468033823732 0.91019419774559 15.999 > 5 56 O 0.65274298856509 0.67468033823732 0.91019419774559 15.999 > 5 57 O 0.32531966176268 0.47806265032777 0.91019419774559 15.999 > 9 58 O 0.82531966176268 0.47806265032777 0.91019419774559 15.999 > 9 59 O 0.32531966176268 0.97806265032777 0.91019419774559 15.999 > 9 60 O 0.82531966176268 0.97806265032777 0.91019419774559 15.999 > 9 61 O 0.14472931699443 0.48607632189842 0.75647246892107 15.999 > 13 62 O 0.64472931699443 0.48607632189842 0.75647246892107 15.999 > 13 63 O 0.14472931699443 0.98607632189842 0.75647246892107 15.999 > 13 64 O 0.64472931699443 0.98607632189842 0.75647246892107 15.999 > 13 65 O 0.34134700490399 0.35527068300557 0.75647246892107 15.999 > 17 66 O 0.84134700490399 0.35527068300557 0.75647246892107 15.999 > 17 67 O 0.34134700490399 0.85527068300557 0.75647246892107 15.999 > 17 68 O 0.84134700490399 0.85527068300557 0.75647246892107 15.999 > 17 69 O 0.01392367810158 0.15865299509601 0.75647246892107 15.999 > 21 70 O 0.51392367810158 0.15865299509601 0.75647246892107 15.999 > 21 71 O 0.01392367810158 0.65865299509601 0.75647246892107 15.999 > 21 72 O 0.51392367810158 0.65865299509601 0.75647246892107 15.999 > 21 73 Zn 0.16666666666667 0.33333333333333 0.29911540798389 65.380 > 73 74 Zn 0.66666666666667 0.33333333333333 0.29911540798389 65.380 > 73 75 Zn 0.16666666666667 0.83333333333333 0.29911540798389 65.380 > 73 76 Zn 0.66666666666667 0.83333333333333 0.29911540798389 65.380 > 73 77 Zn 0.16666666666667 0.33333333333333 0.03421792534945 65.380 > 77 78 Zn 0.66666666666667 0.33333333333333 0.03421792534945 65.380 > 77 79 Zn 0.16666666666667 0.83333333333333 0.03421792534945 65.380 > 77 80 Zn 0.66666666666667 0.83333333333333 0.03421792534945 65.380 > 77 81 Zn 0.00000000000000 0.00000000000000 0.63244874131722 65.380 > 73 82 Zn 0.50000000000000 0.00000000000000 0.63244874131722 65.380 > 73 83 Zn 0.00000000000000 0.50000000000000 0.63244874131722 65.380 > 73 84 Zn 0.50000000000000 0.50000000000000 0.63244874131722 65.380 > 73 85 Zn 0.00000000000000 0.00000000000000 0.36755125868278 65.380 > 77 86 Zn 0.50000000000000 0.00000000000000 0.36755125868278 65.380 > 77 87 Zn 0.00000000000000 0.50000000000000 0.36755125868278 65.380 > 77 88 Zn 0.50000000000000 0.50000000000000 0.36755125868278 65.380 > 77 89 Zn 0.33333333333333 0.16666666666667 0.96578207465055 65.380 > 73 90 Zn 0.83333333333333 0.16666666666667 0.96578207465055 65.380 > 73 91 Zn 0.33333333333333 0.66666666666667 0.96578207465055 65.380 > 73 92 Zn 0.83333333333333 0.66666666666667 0.96578207465055 65.380 > 73 93 Zn 0.33333333333333 0.16666666666667 0.70088459201611 65.380 > 77 94 Zn 0.83333333333333 0.16666666666667 0.70088459201611 65.380 > 77 95 Zn 0.33333333333333 0.66666666666667 0.70088459201611 65.380 > 77 96 Zn 0.83333333333333 0.66666666666667 0.70088459201611 65.380 > 77 97 Ge 0.33333333333333 0.16666666666667 0.17744610901192 72.640 > 97 98 Ge 0.83333333333333 0.16666666666667 0.17744610901192 72.640 > 97 99 Ge 0.33333333333333 0.66666666666667 0.17744610901192 72.640 > 97 100 Ge 0.83333333333333 0.66666666666667 0.17744610901192 72.640 > 97 101 Ge 0.00000000000000 0.00000000000000 0.15588722432141 72.640 > 101 102 Ge 0.50000000000000 0.00000000000000 0.15588722432141 72.640 > 101 103 Ge 0.00000000000000 0.50000000000000 0.15588722432141 72.640 > 101 104 Ge 0.50000000000000 0.50000000000000 0.15588722432141 72.640 > 101 105 Ge 0.16666666666667 0.33333333333333 0.51077944234526 72.640 > 97 106 Ge 0.66666666666667 0.33333333333333 0.51077944234526 72.640 > 97 107 Ge 0.16666666666667 0.83333333333333 0.51077944234526 72.640 > 97 108 Ge 0.66666666666667 0.83333333333333 0.51077944234526 72.640 > 97 109 Ge 0.33333333333333 0.16666666666667 0.48922055765474 72.640 > 101 110 Ge 0.83333333333333 0.16666666666667 0.48922055765474 72.640 > 101 111 Ge 0.33333333333333 0.66666666666667 0.48922055765474 72.640 > 101 112 Ge 0.83333333333333 0.66666666666667 0.48922055765474 72.640 > 101 113 Ge 0.00000000000000 0.00000000000000 0.84411277567859 72.640 > 97 114 Ge 0.50000000000000 0.00000000000000 0.84411277567859 72.640 > 97 115 Ge 0.00000000000000 0.50000000000000 0.84411277567859 72.640 > 97 116 Ge 0.50000000000000 0.50000000000000 0.84411277567859 72.640 > 97 117 Ge 0.16666666666667 0.33333333333333 0.82255389098808 72.640 > 101 118 Ge 0.66666666666667 0.33333333333333 0.82255389098808 72.640 > 101 119 Ge 0.16666666666667 0.83333333333333 0.82255389098808 72.640 > 101 120 Ge 0.66666666666667 0.83333333333333 0.82255389098808 72.640 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4807462 0.0000000 0.0000000 -0.0000000 4.4807462 0.0000000 0.0000000 0.0000000 4.2874747 -------------------------- Born effective charges -------------------------- 1 O -2.3063063 0.2121654 0.0691644 0.2007204 -2.0161035 0.3628297 0.0380272 0.4787522 -1.9893043 2 O -1.9098694 0.0281625 -0.3488019 0.0167175 -2.4125404 -0.1215168 -0.4336252 -0.2064436 -1.9893043 3 O -2.2674390 -0.2231604 0.2796376 -0.2346054 -2.0549708 -0.2413130 0.3955979 -0.2723086 -1.9893043 4 O -2.3063063 0.2121654 0.0691644 0.2007204 -2.0161035 0.3628297 0.0380272 0.4787522 -1.9893043 5 O -2.2674390 -0.2231604 0.2796376 -0.2346054 -2.0549708 -0.2413130 0.3955979 -0.2723086 -1.9893043 6 O -1.9098694 0.0281625 -0.3488019 0.0167175 -2.4125404 -0.1215168 -0.4336252 -0.2064436 -1.9893043 7 Zn 2.3451841 0.0366858 0.0000000 -0.0366858 2.3451841 0.0000000 0.0000000 0.0000000 2.5977177 8 Zn 2.3451841 0.0366858 0.0000000 -0.0366858 2.3451841 0.0000000 0.0000000 0.0000000 2.5977177 9 Ge 4.1384306 -0.0538533 0.0000000 0.0538533 4.1384306 0.0000000 0.0000000 0.0000000 3.3701951 10 Ge 4.1384306 -0.0538533 0.0000000 0.0538533 4.1384306 0.0000000 0.0000000 0.0000000 3.3701951 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (yx) -0.00000003 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:51:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:51:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.493175510057821 1.439435551868863 4.614447046666661 b -2.493175510057816 1.439435551868863 4.614447046666661 c 0.000000000000003 -2.878871103737730 4.614447046666661 Atomic positions (fractional): 1 O 0.95406889709006 0.56083352127095 0.21568017487577 15.999 2 O 0.21568017487577 0.95406889709006 0.56083352127095 15.999 3 O 0.56083352127095 0.21568017487577 0.95406889709006 15.999 4 O 0.04593110290994 0.43916647872905 0.78431982512423 15.999 5 O 0.43916647872905 0.78431982512423 0.04593110290994 15.999 6 O 0.78431982512423 0.04593110290994 0.43916647872905 15.999 7 Zn 0.63244874131722 0.63244874131722 0.63244874131722 65.380 8 Zn 0.36755125868278 0.36755125868278 0.36755125868278 65.380 9 Ge 0.84411277567859 0.84411277567859 0.84411277567859 72.640 10 Ge 0.15588722432141 0.15588722432141 0.15588722432141 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.972702040231276 0.000000000000000 0.000000000000000 b -4.986351020115638 8.636613311213186 0.000000000000000 c 0.000000000000000 0.000000000000000 13.843341139999996 Atomic positions (fractional): 1 O 0.35527068300557 0.01392367810158 0.24352753107893 15.999 > 1 2 O 0.85527068300557 0.01392367810158 0.24352753107893 15.999 > 1 3 O 0.35527068300557 0.51392367810158 0.24352753107893 15.999 > 1 4 O 0.85527068300557 0.51392367810158 0.24352753107893 15.999 > 1 5 O 0.48607632189842 0.34134700490399 0.24352753107893 15.999 > 5 6 O 0.98607632189842 0.34134700490399 0.24352753107893 15.999 > 5 7 O 0.48607632189842 0.84134700490399 0.24352753107893 15.999 > 5 8 O 0.98607632189842 0.84134700490399 0.24352753107893 15.999 > 5 9 O 0.15865299509601 0.14472931699443 0.24352753107893 15.999 > 9 10 O 0.65865299509601 0.14472931699443 0.24352753107893 15.999 > 9 11 O 0.15865299509601 0.64472931699443 0.24352753107893 15.999 > 9 12 O 0.65865299509601 0.64472931699443 0.24352753107893 15.999 > 9 13 O 0.47806265032777 0.15274298856509 0.08980580225441 15.999 > 13 14 O 0.97806265032777 0.15274298856509 0.08980580225441 15.999 > 13 15 O 0.47806265032777 0.65274298856509 0.08980580225441 15.999 > 13 16 O 0.97806265032777 0.65274298856509 0.08980580225441 15.999 > 13 17 O 0.17468033823732 0.02193734967223 0.08980580225441 15.999 > 17 18 O 0.67468033823732 0.02193734967223 0.08980580225441 15.999 > 17 19 O 0.17468033823732 0.52193734967223 0.08980580225441 15.999 > 17 20 O 0.67468033823732 0.52193734967223 0.08980580225441 15.999 > 17 21 O 0.34725701143491 0.32531966176268 0.08980580225441 15.999 > 21 22 O 0.84725701143491 0.32531966176268 0.08980580225441 15.999 > 21 23 O 0.34725701143491 0.82531966176268 0.08980580225441 15.999 > 21 24 O 0.84725701143491 0.82531966176268 0.08980580225441 15.999 > 21 25 O 0.18860401633890 0.18059034476824 0.57686086441226 15.999 > 1 26 O 0.68860401633890 0.18059034476824 0.57686086441226 15.999 > 1 27 O 0.18860401633890 0.68059034476824 0.57686086441226 15.999 > 1 28 O 0.68860401633890 0.68059034476824 0.57686086441226 15.999 > 1 29 O 0.31940965523176 0.00801367157066 0.57686086441226 15.999 > 5 30 O 0.81940965523176 0.00801367157066 0.57686086441226 15.999 > 5 31 O 0.31940965523176 0.50801367157066 0.57686086441226 15.999 > 5 32 O 0.81940965523176 0.50801367157066 0.57686086441226 15.999 > 5 33 O 0.49198632842934 0.31139598366110 0.57686086441226 15.999 > 9 34 O 0.99198632842934 0.31139598366110 0.57686086441226 15.999 > 9 35 O 0.49198632842934 0.81139598366110 0.57686086441226 15.999 > 9 36 O 0.99198632842934 0.81139598366110 0.57686086441226 15.999 > 9 37 O 0.31139598366110 0.31940965523176 0.42313913558774 15.999 > 13 38 O 0.81139598366110 0.31940965523176 0.42313913558774 15.999 > 13 39 O 0.31139598366110 0.81940965523176 0.42313913558774 15.999 > 13 40 O 0.81139598366110 0.81940965523176 0.42313913558774 15.999 > 13 41 O 0.00801367157066 0.18860401633890 0.42313913558774 15.999 > 17 42 O 0.50801367157066 0.18860401633890 0.42313913558774 15.999 > 17 43 O 0.00801367157066 0.68860401633890 0.42313913558774 15.999 > 17 44 O 0.50801367157066 0.68860401633890 0.42313913558774 15.999 > 17 45 O 0.18059034476824 0.49198632842934 0.42313913558774 15.999 > 21 46 O 0.68059034476824 0.49198632842934 0.42313913558774 15.999 > 21 47 O 0.18059034476824 0.99198632842934 0.42313913558774 15.999 > 21 48 O 0.68059034476824 0.99198632842934 0.42313913558774 15.999 > 21 49 O 0.02193734967223 0.34725701143491 0.91019419774559 15.999 > 1 50 O 0.52193734967223 0.34725701143491 0.91019419774559 15.999 > 1 51 O 0.02193734967223 0.84725701143491 0.91019419774559 15.999 > 1 52 O 0.52193734967223 0.84725701143491 0.91019419774559 15.999 > 1 53 O 0.15274298856509 0.17468033823732 0.91019419774559 15.999 > 5 54 O 0.65274298856509 0.17468033823732 0.91019419774559 15.999 > 5 55 O 0.15274298856509 0.67468033823732 0.91019419774559 15.999 > 5 56 O 0.65274298856509 0.67468033823732 0.91019419774559 15.999 > 5 57 O 0.32531966176268 0.47806265032777 0.91019419774559 15.999 > 9 58 O 0.82531966176268 0.47806265032777 0.91019419774559 15.999 > 9 59 O 0.32531966176268 0.97806265032777 0.91019419774559 15.999 > 9 60 O 0.82531966176268 0.97806265032777 0.91019419774559 15.999 > 9 61 O 0.14472931699443 0.48607632189842 0.75647246892107 15.999 > 13 62 O 0.64472931699443 0.48607632189842 0.75647246892107 15.999 > 13 63 O 0.14472931699443 0.98607632189842 0.75647246892107 15.999 > 13 64 O 0.64472931699443 0.98607632189842 0.75647246892107 15.999 > 13 65 O 0.34134700490399 0.35527068300557 0.75647246892107 15.999 > 17 66 O 0.84134700490399 0.35527068300557 0.75647246892107 15.999 > 17 67 O 0.34134700490399 0.85527068300557 0.75647246892107 15.999 > 17 68 O 0.84134700490399 0.85527068300557 0.75647246892107 15.999 > 17 69 O 0.01392367810158 0.15865299509601 0.75647246892107 15.999 > 21 70 O 0.51392367810158 0.15865299509601 0.75647246892107 15.999 > 21 71 O 0.01392367810158 0.65865299509601 0.75647246892107 15.999 > 21 72 O 0.51392367810158 0.65865299509601 0.75647246892107 15.999 > 21 73 Zn 0.16666666666667 0.33333333333333 0.29911540798389 65.380 > 73 74 Zn 0.66666666666667 0.33333333333333 0.29911540798389 65.380 > 73 75 Zn 0.16666666666667 0.83333333333333 0.29911540798389 65.380 > 73 76 Zn 0.66666666666667 0.83333333333333 0.29911540798389 65.380 > 73 77 Zn 0.16666666666667 0.33333333333333 0.03421792534945 65.380 > 77 78 Zn 0.66666666666667 0.33333333333333 0.03421792534945 65.380 > 77 79 Zn 0.16666666666667 0.83333333333333 0.03421792534945 65.380 > 77 80 Zn 0.66666666666667 0.83333333333333 0.03421792534945 65.380 > 77 81 Zn 0.00000000000000 0.00000000000000 0.63244874131722 65.380 > 73 82 Zn 0.50000000000000 0.00000000000000 0.63244874131722 65.380 > 73 83 Zn 0.00000000000000 0.50000000000000 0.63244874131722 65.380 > 73 84 Zn 0.50000000000000 0.50000000000000 0.63244874131722 65.380 > 73 85 Zn 0.00000000000000 0.00000000000000 0.36755125868278 65.380 > 77 86 Zn 0.50000000000000 0.00000000000000 0.36755125868278 65.380 > 77 87 Zn 0.00000000000000 0.50000000000000 0.36755125868278 65.380 > 77 88 Zn 0.50000000000000 0.50000000000000 0.36755125868278 65.380 > 77 89 Zn 0.33333333333333 0.16666666666667 0.96578207465055 65.380 > 73 90 Zn 0.83333333333333 0.16666666666667 0.96578207465055 65.380 > 73 91 Zn 0.33333333333333 0.66666666666667 0.96578207465055 65.380 > 73 92 Zn 0.83333333333333 0.66666666666667 0.96578207465055 65.380 > 73 93 Zn 0.33333333333333 0.16666666666667 0.70088459201611 65.380 > 77 94 Zn 0.83333333333333 0.16666666666667 0.70088459201611 65.380 > 77 95 Zn 0.33333333333333 0.66666666666667 0.70088459201611 65.380 > 77 96 Zn 0.83333333333333 0.66666666666667 0.70088459201611 65.380 > 77 97 Ge 0.33333333333333 0.16666666666667 0.17744610901192 72.640 > 97 98 Ge 0.83333333333333 0.16666666666667 0.17744610901192 72.640 > 97 99 Ge 0.33333333333333 0.66666666666667 0.17744610901192 72.640 > 97 100 Ge 0.83333333333333 0.66666666666667 0.17744610901192 72.640 > 97 101 Ge 0.00000000000000 0.00000000000000 0.15588722432141 72.640 > 101 102 Ge 0.50000000000000 0.00000000000000 0.15588722432141 72.640 > 101 103 Ge 0.00000000000000 0.50000000000000 0.15588722432141 72.640 > 101 104 Ge 0.50000000000000 0.50000000000000 0.15588722432141 72.640 > 101 105 Ge 0.16666666666667 0.33333333333333 0.51077944234526 72.640 > 97 106 Ge 0.66666666666667 0.33333333333333 0.51077944234526 72.640 > 97 107 Ge 0.16666666666667 0.83333333333333 0.51077944234526 72.640 > 97 108 Ge 0.66666666666667 0.83333333333333 0.51077944234526 72.640 > 97 109 Ge 0.33333333333333 0.16666666666667 0.48922055765474 72.640 > 101 110 Ge 0.83333333333333 0.16666666666667 0.48922055765474 72.640 > 101 111 Ge 0.33333333333333 0.66666666666667 0.48922055765474 72.640 > 101 112 Ge 0.83333333333333 0.66666666666667 0.48922055765474 72.640 > 101 113 Ge 0.00000000000000 0.00000000000000 0.84411277567859 72.640 > 97 114 Ge 0.50000000000000 0.00000000000000 0.84411277567859 72.640 > 97 115 Ge 0.00000000000000 0.50000000000000 0.84411277567859 72.640 > 97 116 Ge 0.50000000000000 0.50000000000000 0.84411277567859 72.640 > 97 117 Ge 0.16666666666667 0.33333333333333 0.82255389098808 72.640 > 101 118 Ge 0.66666666666667 0.33333333333333 0.82255389098808 72.640 > 101 119 Ge 0.16666666666667 0.83333333333333 0.82255389098808 72.640 > 101 120 Ge 0.66666666666667 0.83333333333333 0.82255389098808 72.640 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4807462 0.0000000 0.0000000 -0.0000000 4.4807462 0.0000000 0.0000000 0.0000000 4.2874747 -------------------------- Born effective charges -------------------------- 1 O -2.3063063 0.2121654 0.0691644 0.2007204 -2.0161035 0.3628297 0.0380272 0.4787522 -1.9893043 2 O -1.9098694 0.0281625 -0.3488019 0.0167175 -2.4125404 -0.1215168 -0.4336252 -0.2064436 -1.9893043 3 O -2.2674390 -0.2231604 0.2796376 -0.2346054 -2.0549708 -0.2413130 0.3955979 -0.2723086 -1.9893043 4 O -2.3063063 0.2121654 0.0691644 0.2007204 -2.0161035 0.3628297 0.0380272 0.4787522 -1.9893043 5 O -2.2674390 -0.2231604 0.2796376 -0.2346054 -2.0549708 -0.2413130 0.3955979 -0.2723086 -1.9893043 6 O -1.9098694 0.0281625 -0.3488019 0.0167175 -2.4125404 -0.1215168 -0.4336252 -0.2064436 -1.9893043 7 Zn 2.3451841 0.0366858 0.0000000 -0.0366858 2.3451841 0.0000000 0.0000000 0.0000000 2.5977177 8 Zn 2.3451841 0.0366858 0.0000000 -0.0366858 2.3451841 0.0000000 0.0000000 0.0000000 2.5977177 9 Ge 4.1384306 -0.0538533 0.0000000 0.0538533 4.1384306 0.0000000 0.0000000 0.0000000 3.3701951 10 Ge 4.1384306 -0.0538533 0.0000000 0.0538533 4.1384306 0.0000000 0.0000000 0.0000000 3.3701951 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (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 ... [ 12 12 12 ] 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: 0.90, Number of G-points: 297, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 294 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 3.837 ( 0.000 0.000 0.000) 0.000 5.043 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 9.932 ( 0.000 0.000 0.000) 0.000 9.932 ( 0.000 0.000 0.000) 0.000 10.387 ( 0.000 0.000 0.000) 0.000 10.387 ( 0.000 0.000 0.000) 0.000 12.166 ( 0.000 0.000 0.000) 0.000 12.630 ( 0.000 0.000 0.000) 0.000 12.997 ( 0.000 0.000 0.000) 0.000 12.997 ( 0.000 0.000 0.000) 0.000 14.001 ( 0.000 0.000 0.000) 0.000 14.001 ( 0.000 0.000 0.000) 0.000 15.500 ( 0.000 0.000 0.000) 0.000 16.454 ( 0.000 0.000 0.000) 0.000 16.454 ( 0.000 0.000 0.000) 0.000 17.195 ( 0.000 0.000 0.000) 0.000 18.701 ( 0.000 0.000 0.000) 0.000 20.207 ( 0.000 0.000 0.000) 0.000 20.207 ( 0.000 0.000 0.000) 0.000 20.261 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 14.668 8.439 31.944) 36.150 0.770 ( 34.445 21.272 -3.396) 40.626 1.485 ( 63.028 35.685 10.992) 73.258 3.787 ( -3.241 -1.910 -3.690) 5.270 5.046 ( -16.981 -18.955 35.424) 43.618 5.259 ( 1.678 -8.862 -12.615) 15.508 5.442 ( -9.996 9.582 27.019) 30.360 5.702 ( -12.064 -3.315 -7.171) 14.420 6.177 ( 1.938 -3.198 14.235) 14.718 6.340 ( 10.706 8.189 -1.955) 13.620 8.675 ( 0.666 -0.189 0.142) 0.707 8.688 ( -0.058 2.435 1.729) 2.987 9.972 ( 5.299 1.709 -4.828) 7.369 10.362 ( -4.257 1.878 1.233) 4.813 10.391 ( 2.047 -2.208 -1.159) 3.226 11.261 ( 12.538 5.993 -14.380) 19.998 12.031 ( -15.475 -9.648 10.568) 21.077 12.569 ( -5.034 -2.926 -0.553) 5.849 13.031 ( 5.139 -2.760 1.078) 5.932 13.210 ( 13.082 13.129 3.086) 18.789 14.015 ( 1.209 3.361 -4.140) 5.468 15.351 ( 5.140 1.877 -30.056) 30.550 16.228 ( -15.762 -8.328 3.965) 18.263 16.472 ( 1.795 -0.366 1.441) 2.331 17.294 ( 6.788 4.052 0.361) 7.914 18.648 ( -2.400 -0.605 -6.019) 6.508 20.103 ( -10.670 9.391 -6.976) 15.833 20.211 ( -0.003 0.957 -0.226) 0.983 20.250 ( 0.991 -2.636 2.474) 3.748 20.354 ( 8.500 -8.612 2.943) 12.453 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 17.510 8.158 27.968) 33.991 1.510 ( 32.122 20.356 -3.287) 38.170 2.890 ( 55.386 31.920 10.225) 64.738 3.685 ( -1.214 -0.905 -4.580) 4.824 4.748 ( -14.119 -14.856 10.089) 22.844 5.150 ( 3.446 -9.753 -7.406) 12.722 5.310 ( -19.039 -5.161 8.045) 21.304 5.606 ( -3.740 6.729 8.147) 11.209 6.242 ( 0.565 -3.121 9.695) 10.201 6.549 ( 6.423 7.320 -3.335) 10.294 8.699 ( 1.217 1.251 1.474) 2.285 8.739 ( 1.591 3.396 1.935) 4.220 10.056 ( 4.525 0.587 -3.872) 5.985 10.319 ( -3.065 4.051 -0.504) 5.105 10.395 ( 3.063 -3.482 -2.667) 5.349 11.475 ( 10.861 4.553 -3.085) 12.174 11.714 ( -15.953 -9.740 5.894) 19.598 12.428 ( -6.323 -3.344 0.085) 7.153 13.124 ( 9.480 -5.551 1.942) 11.156 13.628 ( 12.661 18.894 6.020) 23.527 14.059 ( 4.248 6.104 -9.479) 12.048 15.247 ( -1.727 -3.325 -10.085) 10.758 15.858 ( -19.037 -9.922 4.052) 21.847 16.520 ( 3.190 -0.836 2.416) 4.088 17.434 ( 4.280 2.875 1.282) 5.313 18.516 ( -7.385 -2.133 -6.567) 10.110 19.991 ( -7.505 8.285 -6.641) 13.003 20.221 ( -0.400 1.652 0.162) 1.707 20.261 ( 1.128 -0.848 0.534) 1.509 20.400 ( 6.026 -10.641 2.532) 12.488 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 19.777 7.536 22.821) 31.124 2.183 ( 27.919 18.492 -3.474) 33.667 3.451 ( -1.577 0.033 -2.713) 3.138 4.269 ( 39.417 19.453 12.836) 45.792 4.456 ( -4.151 -3.933 -1.779) 5.989 4.974 ( -16.853 -5.403 2.605) 17.888 5.093 ( 5.578 -10.213 -6.027) 13.105 5.637 ( -4.808 1.662 10.352) 11.535 6.276 ( -1.339 2.172 9.410) 9.750 6.640 ( 1.413 3.302 -5.160) 6.286 8.760 ( 1.073 4.740 2.376) 5.410 8.831 ( 4.867 1.844 1.880) 5.534 10.007 ( -8.287 -4.724 5.111) 10.821 10.386 ( 8.494 -2.599 -7.947) 11.918 10.399 ( 2.458 6.563 -4.671) 8.422 11.376 ( -14.409 -7.316 -0.562) 16.170 11.593 ( -0.701 -4.032 0.393) 4.111 12.383 ( 2.284 2.265 4.194) 5.285 13.256 ( 12.598 -8.317 2.429) 15.290 13.911 ( -5.682 14.597 4.803) 16.383 14.252 ( 15.409 13.277 -10.084) 22.703 15.146 ( 0.381 -3.906 -1.842) 4.336 15.496 ( -15.961 -8.139 4.786) 18.544 16.588 ( 4.238 -1.318 2.799) 5.246 17.490 ( -0.908 -0.045 2.731) 2.878 18.285 ( -11.349 -2.975 -8.732) 14.625 19.938 ( -3.502 7.459 -5.757) 10.052 20.232 ( -0.593 1.968 0.690) 2.168 20.275 ( 1.136 0.249 -1.347) 1.779 20.383 ( 3.225 -11.715 2.586) 12.423 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 19.848 6.540 17.546) 27.287 2.741 ( 21.611 15.220 -4.079) 26.745 3.402 ( -1.983 1.217 -2.068) 3.113 4.134 ( -10.454 -11.172 1.081) 15.338 4.633 ( -14.291 -5.029 1.661) 15.241 5.006 ( 5.316 -10.204 -2.037) 11.685 5.341 ( 27.146 19.047 6.128) 33.723 5.621 ( -2.144 0.291 4.493) 4.987 6.411 ( 4.408 6.921 9.083) 12.241 6.635 ( 3.208 4.102 -5.399) 7.502 8.837 ( -1.635 7.642 0.892) 7.866 8.939 ( 5.930 -2.966 3.292) 7.403 9.808 ( -10.747 -6.921 6.438) 14.312 10.390 ( 2.762 -1.614 -3.887) 5.034 10.560 ( 9.086 7.029 -9.848) 15.131 11.073 ( -13.256 -6.415 0.046) 14.727 11.427 ( -8.344 -8.117 -2.509) 11.908 12.558 ( 7.850 4.954 5.369) 10.724 13.403 ( 14.226 -11.201 2.157) 18.234 13.879 ( -12.609 10.887 1.341) 16.713 14.490 ( 2.361 9.606 -6.174) 11.660 15.229 ( -1.427 -6.367 -0.437) 6.539 15.284 ( 6.043 6.044 7.374) 11.288 16.671 ( 5.624 -1.415 2.066) 6.156 17.433 ( -6.607 -3.166 4.682) 8.695 17.998 ( -11.886 -2.899 -10.356) 16.029 19.942 ( -0.918 6.770 -4.429) 8.142 20.247 ( 0.071 1.382 -0.129) 1.389 20.283 ( 0.233 2.125 -4.077) 4.603 20.323 ( 1.207 -12.321 5.322) 13.475 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 16.820 5.173 12.310) 21.476 3.135 ( 12.918 9.712 -4.504) 16.777 3.353 ( -4.215 1.415 -2.974) 5.349 3.893 ( -7.626 -7.381 1.060) 10.666 4.391 ( -8.823 -4.993 1.679) 10.277 4.941 ( 1.121 -7.998 -2.288) 8.394 5.647 ( 4.737 -0.027 -0.577) 4.772 5.747 ( -0.236 10.239 10.159) 14.426 6.392 ( -3.661 -4.685 -4.361) 7.374 7.085 ( 26.685 19.129 3.550) 33.024 8.755 ( -12.870 -2.975 -0.026) 13.209 9.015 ( 4.339 -2.156 2.946) 5.671 9.677 ( -2.486 -1.838 3.916) 4.990 10.415 ( 2.828 0.735 -1.571) 3.317 10.671 ( 4.159 2.987 -10.434) 11.623 10.828 ( -9.643 -4.130 2.589) 10.805 11.216 ( -5.587 -5.546 -1.446) 8.004 12.732 ( 4.613 2.621 2.739) 5.971 13.523 ( 12.294 -13.046 0.814) 17.945 13.774 ( -12.252 11.271 2.025) 16.771 14.510 ( -1.895 4.252 -3.733) 5.967 15.104 ( -4.125 -3.367 2.981) 6.103 15.632 ( 13.794 8.610 2.654) 16.475 16.775 ( 7.349 -0.703 -0.315) 7.389 17.278 ( -10.435 -4.321 5.758) 12.677 17.744 ( -7.729 -1.931 -8.460) 11.620 19.976 ( 0.095 5.521 -2.581) 6.095 20.228 ( 0.842 -5.574 -3.579) 6.677 20.272 ( -1.984 1.873 3.778) 4.660 20.294 ( 1.402 -3.117 0.429) 3.445 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 0.000 0.000 -0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 -0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 -0.000 -0.000) 0.000 5.804 ( -0.000 0.000 0.000) 0.000 6.306 ( 0.000 -0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 -0.000 0.000) 0.000 9.055 ( 0.000 -0.000 0.000) 0.000 9.678 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 10.641 ( 0.000 0.000 -0.000) 0.000 10.750 ( -0.000 0.000 0.000) 0.000 11.142 ( 0.000 0.000 0.000) 0.000 12.789 ( 0.000 0.000 0.000) 0.000 13.562 ( -0.000 0.000 0.000) 0.000 13.736 ( 0.000 -0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 15.063 ( 0.000 0.000 -0.000) 0.000 15.815 ( 0.000 0.000 0.000) 0.000 16.859 ( 0.000 0.000 0.000) 0.000 17.152 ( 0.000 0.000 -0.000) 0.000 17.638 ( 0.000 0.000 0.000) 0.000 20.001 ( 0.000 -0.000 0.000) 0.000 20.188 ( 0.000 0.000 0.000) 0.000 20.280 ( 0.000 0.000 0.000) 0.000 20.291 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -3.940 16.521 40.636) 44.042 0.915 ( 7.106 38.817 12.747) 41.470 1.447 ( -2.274 67.296 10.198) 68.102 3.763 ( 0.009 -5.203 -3.151) 6.083 5.105 ( -5.222 -10.660 -15.739) 19.714 5.264 ( -10.918 -15.772 15.000) 24.351 5.626 ( 8.447 -16.808 39.315) 43.584 5.846 ( 9.201 -8.505 5.845) 13.826 6.128 ( -5.756 -19.527 19.002) 27.848 6.400 ( 1.029 15.073 5.428) 16.054 8.613 ( 2.393 -2.525 -3.323) 4.811 8.719 ( 0.282 3.463 2.128) 4.074 10.088 ( -1.383 8.788 7.582) 11.689 10.335 ( 0.360 -3.389 -1.557) 3.747 10.426 ( 1.420 2.491 2.376) 3.723 10.973 ( -2.623 17.371 -32.891) 37.289 12.132 ( -1.372 -21.270 12.191) 24.554 12.560 ( 0.042 -6.315 -1.361) 6.460 13.020 ( -5.089 1.787 0.701) 5.439 13.181 ( 4.727 16.323 -0.565) 17.003 14.107 ( 4.916 7.335 5.489) 10.398 15.162 ( -2.179 26.356 -39.463) 47.505 16.242 ( 1.569 -19.223 4.414) 19.786 16.488 ( -2.487 1.468 3.507) 4.543 17.296 ( 0.240 7.911 0.464) 7.929 18.627 ( 0.816 0.325 -6.114) 6.177 19.925 ( 9.696 -11.145 -10.188) 17.945 20.200 ( -0.502 0.541 -1.979) 2.112 20.252 ( -0.300 -0.834 -0.019) 0.887 20.476 ( -9.009 6.074 6.057) 12.439 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 1.806 13.332 39.630) 41.851 1.474 ( 9.893 39.329 5.845) 40.974 2.530 ( 40.557 52.342 11.144) 67.147 3.661 ( -2.242 -5.265 -4.241) 7.123 4.814 ( -5.678 -13.101 -13.158) 19.417 5.004 ( -8.633 -15.672 12.586) 21.876 5.612 ( -15.458 -2.761 -0.743) 15.720 5.813 ( -5.181 -9.115 29.306) 31.125 6.097 ( 10.560 -8.133 -0.019) 13.329 6.610 ( 1.598 12.230 5.481) 13.497 8.650 ( 5.016 -1.272 -1.583) 5.411 8.785 ( 0.540 3.682 4.800) 6.073 10.119 ( -6.384 14.164 -0.685) 15.552 10.261 ( -0.369 -8.346 -0.075) 8.355 10.461 ( -3.486 4.928 1.354) 6.186 11.166 ( 21.546 3.553 -14.650) 26.296 11.868 ( -11.621 -15.768 5.369) 20.310 12.453 ( -2.919 -7.490 -1.393) 8.158 12.988 ( 0.900 0.611 -2.285) 2.531 13.563 ( 17.560 17.370 1.968) 24.778 14.220 ( -6.868 14.015 7.278) 17.221 15.171 ( 0.734 8.412 -18.451) 20.291 16.004 ( -9.909 -19.783 7.361) 23.319 16.495 ( 0.115 1.360 1.957) 2.386 17.415 ( 3.645 5.934 1.509) 7.125 18.559 ( -4.003 -2.178 -5.612) 7.229 19.976 ( 13.915 -11.460 -11.400) 21.329 20.153 ( -3.986 2.099 -5.283) 6.943 20.241 ( 0.306 -0.980 0.859) 1.338 20.403 ( -7.569 3.755 6.808) 10.851 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 7.926 10.619 33.230) 35.774 2.069 ( 15.272 33.863 1.717) 37.187 3.451 ( 2.096 3.011 0.853) 3.767 3.869 ( 39.990 31.662 6.247) 51.387 4.514 ( -8.752 -10.689 -5.058) 14.712 4.837 ( 0.777 -13.367 -2.539) 13.628 5.285 ( -18.186 -3.545 3.233) 18.808 5.773 ( -5.246 -8.442 13.654) 16.888 6.247 ( 9.945 0.186 3.418) 10.518 6.711 ( -3.854 6.307 3.314) 8.100 8.738 ( 6.040 2.081 -1.275) 6.515 8.856 ( -0.373 3.639 6.713) 7.645 10.120 ( -6.585 -2.876 3.156) 7.848 10.216 ( 4.804 2.945 -5.583) 7.932 10.451 ( -3.265 6.206 -1.403) 7.152 11.406 ( 9.756 -2.369 -7.070) 12.279 11.554 ( -10.194 -12.673 1.533) 16.336 12.360 ( 1.281 -4.190 0.237) 4.387 13.028 ( 6.188 -2.305 -2.295) 6.990 14.053 ( 18.819 15.025 -1.618) 24.136 14.273 ( -9.953 19.254 8.658) 23.339 15.118 ( -2.291 0.798 -6.474) 6.913 15.681 ( -13.116 -15.374 10.252) 22.661 16.536 ( 2.277 0.657 1.216) 2.664 17.513 ( 1.207 1.883 3.101) 3.824 18.382 ( -9.086 -3.232 -7.861) 12.442 19.983 ( 4.118 -4.401 -10.380) 12.003 20.099 ( 2.779 -3.614 -4.546) 6.438 20.250 ( 1.018 -0.008 -0.874) 1.341 20.376 ( -3.893 1.281 6.307) 7.522 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 11.765 8.613 25.573) 29.437 2.626 ( 14.847 27.476 -0.718) 31.239 3.420 ( -0.924 -0.249 -0.693) 1.182 4.211 ( -9.591 -10.682 0.550) 14.367 4.656 ( 4.164 -9.730 -5.521) 11.937 4.889 ( 10.110 3.230 4.504) 11.530 5.101 ( 11.656 14.789 3.278) 19.113 5.675 ( -3.209 -5.524 4.382) 7.747 6.486 ( 10.177 9.572 8.461) 16.333 6.642 ( -8.321 -0.737 -0.322) 8.360 8.844 ( 4.515 -0.471 -0.129) 4.541 8.943 ( 0.606 7.432 5.589) 9.319 9.931 ( -8.892 -11.425 4.445) 15.144 10.316 ( 2.978 5.229 -2.757) 6.619 10.486 ( 2.651 7.782 -5.833) 10.080 11.216 ( -12.191 -9.321 0.435) 15.352 11.415 ( -2.056 -8.004 -6.010) 10.218 12.451 ( 10.002 0.428 0.213) 10.014 13.113 ( 9.515 -5.419 -1.636) 11.072 14.199 ( -9.126 11.221 -0.742) 14.482 14.522 ( 4.672 14.143 4.258) 15.491 15.103 ( 4.111 1.282 -0.598) 4.347 15.451 ( -8.741 -5.168 14.222) 17.475 16.593 ( 3.451 0.029 0.284) 3.463 17.521 ( -3.200 -1.968 5.298) 6.494 18.112 ( -12.256 -2.832 -11.025) 16.726 19.948 ( 2.400 -2.053 -7.113) 7.782 20.094 ( 4.934 -5.994 -4.520) 8.984 20.260 ( 1.000 0.642 -2.434) 2.708 20.366 ( -3.054 1.108 5.699) 6.560 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 13.200 6.041 18.360) 23.406 3.064 ( 10.378 20.824 -2.332) 23.383 3.409 ( -2.311 1.009 -1.025) 2.722 3.968 ( -8.299 -6.901 1.292) 10.871 4.505 ( -6.962 -5.901 -2.290) 9.410 4.799 ( 0.556 -9.920 1.046) 9.991 5.537 ( 6.091 -4.965 1.345) 7.973 5.769 ( 13.170 9.597 2.879) 16.548 6.428 ( -10.742 -6.925 -1.620) 12.883 6.950 ( 19.818 24.293 6.244) 31.967 8.840 ( -2.589 -6.739 -0.730) 7.256 9.044 ( -2.147 6.309 5.882) 8.889 9.724 ( -5.101 -6.415 2.429) 8.548 10.379 ( 1.819 2.844 0.380) 3.397 10.581 ( 3.719 5.061 -8.411) 10.497 10.957 ( -9.083 -7.165 3.099) 11.977 11.237 ( -5.370 -5.413 -4.699) 8.956 12.624 ( 9.600 0.388 -3.243) 10.140 13.213 ( 11.053 -8.525 -0.268) 13.962 14.111 ( -12.839 10.500 0.836) 16.607 14.591 ( -4.600 4.068 -0.156) 6.143 15.142 ( -1.625 -5.908 6.773) 9.133 15.590 ( 8.353 13.151 11.182) 19.177 16.656 ( 5.046 -0.719 -0.985) 5.191 17.437 ( -7.827 -3.974 7.698) 11.675 17.818 ( -10.654 -1.025 -12.985) 16.828 19.935 ( 4.157 -5.617 -4.396) 8.255 20.097 ( 3.653 -2.490 -3.470) 5.620 20.265 ( 0.683 0.822 -3.145) 3.321 20.364 ( -2.717 2.045 4.623) 5.739 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 8.836 1.537 9.764) 13.258 3.244 ( -7.315 2.779 -1.913) 8.056 3.393 ( 3.592 8.745 -1.593) 9.587 3.837 ( -5.177 -0.947 2.369) 5.772 4.347 ( -5.687 0.196 0.166) 5.693 4.804 ( 7.851 -4.709 0.180) 9.157 5.538 ( 4.780 -6.927 -5.770) 10.204 5.956 ( -5.288 0.993 4.874) 7.260 6.221 ( 2.775 -8.238 -1.094) 8.761 7.535 ( 11.871 22.514 1.421) 25.491 8.587 ( -11.687 -11.072 -0.303) 16.102 9.080 ( -0.860 0.496 5.697) 5.783 9.685 ( -0.240 2.778 -2.947) 4.057 10.450 ( 2.164 1.419 2.502) 3.600 10.562 ( 1.305 -2.747 -6.672) 7.332 10.847 ( -4.672 -0.392 7.375) 8.739 11.134 ( -0.258 0.020 -3.495) 3.505 12.715 ( 5.313 -1.238 -6.423) 8.427 13.316 ( 11.769 -9.884 1.041) 15.404 14.004 ( -13.053 12.121 -0.999) 17.841 14.530 ( -3.796 -0.532 0.519) 3.868 15.093 ( -2.755 -4.097 7.784) 9.217 15.867 ( 1.309 8.085 6.923) 10.724 16.755 ( 8.589 -0.227 -0.753) 8.625 17.276 ( -11.420 -1.766 2.859) 11.904 17.642 ( -2.073 1.397 -6.361) 6.835 19.915 ( 4.167 -9.294 -1.423) 10.285 20.135 ( 3.708 1.307 -2.922) 4.898 20.261 ( 0.263 0.413 -2.351) 2.401 20.370 ( -2.516 3.764 2.626) 5.234 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -13.377 -5.283 -6.169) 15.650 3.239 ( 2.922 0.010 7.408) 7.963 3.386 ( -10.926 0.162 0.882) 10.962 3.862 ( 4.369 8.095 0.619) 9.220 4.340 ( 1.558 5.005 -1.373) 5.418 4.953 ( 8.835 3.587 1.927) 9.729 5.491 ( 5.414 -11.384 -9.687) 15.898 5.751 ( -9.867 -6.126 -2.478) 11.876 6.343 ( 9.303 -0.984 6.165) 11.204 7.446 ( -30.725 -4.019 -3.026) 31.135 8.561 ( 12.009 1.055 1.415) 12.138 9.095 ( -1.383 1.877 1.588) 2.821 9.657 ( -2.379 2.432 -6.269) 7.133 10.446 ( -0.763 -1.904 1.397) 2.482 10.648 ( 9.164 0.582 2.322) 9.472 10.834 ( -4.036 1.930 7.906) 9.084 11.175 ( 4.765 4.111 -2.299) 6.700 12.702 ( 0.454 -3.001 -7.757) 8.330 13.433 ( 12.896 -9.517 0.181) 16.029 13.887 ( -14.103 13.717 -3.304) 19.949 14.482 ( -0.576 -4.152 3.670) 5.571 15.075 ( -0.117 -1.945 4.332) 4.750 15.819 ( -13.231 -1.942 4.065) 13.977 16.872 ( -0.014 0.334 0.363) 0.493 17.155 ( 1.855 3.623 -4.633) 6.167 17.696 ( 5.536 3.739 3.401) 7.496 19.884 ( 3.412 -9.951 1.301) 10.600 20.188 ( 3.139 0.792 -4.949) 5.914 20.263 ( 0.546 -0.544 2.422) 2.541 20.388 ( -2.062 7.093 -0.813) 7.431 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -21.157 -6.186 -10.940) 24.608 3.064 ( -22.349 -3.358 5.419) 23.240 3.354 ( 3.295 -1.820 2.954) 4.785 4.081 ( 8.675 11.315 0.763) 14.278 4.454 ( 8.187 3.343 -3.620) 9.555 5.141 ( 3.521 7.962 1.426) 8.822 5.359 ( -1.315 -13.756 -9.323) 16.670 5.569 ( -2.381 -5.223 -4.122) 7.067 6.486 ( -1.064 -0.734 4.302) 4.492 6.768 ( -28.061 -9.606 -1.676) 29.707 8.721 ( 5.448 -4.458 1.925) 7.298 9.066 ( -6.488 3.746 -2.784) 7.992 9.666 ( 6.726 3.523 -5.912) 9.622 10.444 ( -0.399 -0.212 2.908) 2.943 10.726 ( -5.936 -2.725 9.367) 11.419 10.927 ( 9.637 6.006 1.938) 11.519 11.342 ( 9.857 6.218 -1.789) 11.791 12.570 ( -5.317 -5.652 -7.998) 11.144 13.516 ( 7.093 -9.706 -6.250) 13.549 13.809 ( -8.882 15.725 1.425) 18.117 14.467 ( 0.419 -7.016 7.448) 10.240 15.108 ( 4.595 -1.073 -0.788) 4.784 15.524 ( -18.329 -3.965 4.272) 19.233 16.777 ( -7.093 2.119 -4.522) 8.675 17.308 ( 9.527 3.430 -2.252) 10.373 17.906 ( 9.862 4.890 7.404) 13.266 19.855 ( 2.873 -9.741 3.442) 10.723 20.190 ( 1.475 -0.550 -5.491) 5.712 20.290 ( 0.468 -2.130 5.326) 5.755 20.434 ( -0.651 10.224 -4.161) 11.058 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -24.795 -6.424 -13.332) 28.876 2.615 ( -30.634 -3.965 5.296) 31.340 3.418 ( 4.008 -0.323 2.833) 4.919 4.347 ( 8.895 12.788 -2.978) 15.860 4.539 ( -1.339 -12.750 -5.409) 13.914 4.931 ( -18.982 -4.258 -6.672) 20.566 5.292 ( -1.787 7.984 3.878) 9.055 5.485 ( 1.865 -6.008 -6.132) 8.785 6.202 ( -7.248 -3.129 -5.197) 9.452 6.669 ( 1.234 -2.444 6.854) 7.380 8.724 ( 0.236 -3.256 0.632) 3.325 8.921 ( -9.133 -0.965 -1.834) 9.366 9.850 ( 12.082 4.516 -4.177) 13.558 10.428 ( -2.839 -3.463 3.128) 5.462 10.624 ( -10.169 2.074 7.924) 13.057 11.196 ( 13.882 5.571 0.696) 14.974 11.538 ( 7.536 3.251 -4.356) 9.291 12.369 ( -4.841 -5.446 -5.196) 8.949 13.402 ( -3.722 -5.202 -9.987) 11.860 13.876 ( -4.874 11.302 4.354) 13.056 14.390 ( -7.372 -11.950 11.740) 18.303 15.171 ( 3.562 1.114 -4.866) 6.132 15.348 ( 1.022 0.869 4.905) 5.085 16.663 ( -5.572 2.542 -5.390) 8.158 17.442 ( 4.537 1.042 -0.909) 4.743 18.183 ( 11.258 5.173 7.646) 14.559 19.837 ( 3.130 -9.334 5.163) 11.117 20.179 ( 1.491 -0.647 -3.890) 4.216 20.294 ( -0.750 -1.921 3.723) 4.256 20.496 ( -0.410 9.348 -5.670) 10.941 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -25.752 -5.215 -12.756) 29.208 2.043 ( -36.805 -2.978 4.705) 37.224 3.428 ( -18.322 -4.416 -0.298) 18.849 3.810 ( -32.525 -9.808 -2.898) 34.095 4.607 ( 10.691 8.512 -6.029) 14.936 4.932 ( 12.508 1.155 -10.260) 16.219 5.325 ( 1.632 -2.885 1.196) 3.523 5.502 ( 3.269 2.668 4.931) 6.490 6.150 ( 2.241 -0.573 -6.368) 6.776 6.658 ( -4.922 -1.969 5.685) 7.773 8.705 ( -0.985 1.490 -1.286) 2.201 8.764 ( -5.984 -3.894 1.469) 7.289 10.067 ( 10.256 4.461 -1.335) 11.264 10.309 ( -7.664 -5.979 4.055) 10.533 10.539 ( -7.435 3.312 2.219) 8.436 11.494 ( 15.549 5.322 -2.064) 16.564 11.529 ( -3.888 -3.750 -5.275) 7.550 12.332 ( 5.682 -0.347 -0.235) 5.697 13.217 ( -5.095 -4.712 -9.075) 11.424 13.808 ( -18.138 6.786 2.795) 19.567 14.197 ( -8.276 -8.487 12.323) 17.099 15.256 ( 5.173 3.904 0.939) 6.548 15.567 ( 18.839 1.118 -0.175) 18.873 16.572 ( -4.255 1.497 -4.397) 6.299 17.466 ( -1.325 -0.605 0.005) 1.456 18.445 ( 9.161 4.076 5.561) 11.466 19.859 ( 4.934 -7.101 7.875) 11.695 20.181 ( 1.553 -0.443 -2.217) 2.743 20.278 ( -1.145 -1.286 1.677) 2.403 20.515 ( -1.829 6.297 -8.071) 10.399 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -24.150 0.571 -2.519) 24.287 1.399 ( -40.354 -0.583 2.347) 40.426 2.439 ( -68.692 0.122 -0.493) 68.694 3.735 ( 4.940 -0.016 -0.057) 4.941 4.776 ( 10.534 -0.646 -8.452) 13.521 5.098 ( 12.451 4.998 -13.134) 18.775 5.377 ( 4.161 -7.638 17.091) 19.177 5.645 ( 5.297 3.574 2.185) 6.753 6.121 ( -0.790 -0.063 -3.751) 3.834 6.536 ( -11.192 -0.276 2.632) 11.501 8.677 ( -1.974 -1.837 1.978) 3.344 8.705 ( -1.402 2.147 0.343) 2.587 10.130 ( -9.276 -2.864 -0.726) 9.735 10.256 ( 7.423 3.757 0.912) 8.370 10.454 ( -4.355 -1.404 -0.597) 4.614 11.372 ( -7.114 0.280 -2.213) 7.455 11.786 ( 16.083 0.463 -0.699) 16.105 12.466 ( 8.431 -0.123 0.118) 8.433 13.058 ( -3.505 -2.409 -5.570) 7.008 13.504 ( -23.380 3.164 4.882) 24.093 14.106 ( -5.282 -1.017 4.476) 6.998 15.381 ( 6.245 -0.157 -1.383) 6.398 15.927 ( 21.717 -0.251 0.791) 21.733 16.499 ( -2.834 0.331 -2.375) 3.713 17.397 ( -6.228 -0.079 0.421) 6.242 18.613 ( 5.408 0.631 1.140) 5.563 19.984 ( 7.379 -0.929 14.112) 15.952 20.191 ( 1.182 -0.418 -1.238) 1.762 20.254 ( -0.868 -0.593 -0.806) 1.324 20.444 ( -4.137 1.410 -12.370) 13.120 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -1.260 18.601 35.791) 40.356 1.407 ( -12.148 35.801 6.138) 38.301 2.548 ( -39.115 51.619 12.031) 65.873 3.663 ( 1.905 -4.957 -4.513) 6.969 4.950 ( 2.641 -11.463 -11.428) 16.401 5.288 ( 8.048 -3.997 5.745) 10.665 5.520 ( 5.259 -15.794 20.166) 26.149 5.540 ( 12.807 -4.302 14.590) 19.885 6.224 ( -9.902 -9.889 5.978) 15.218 6.521 ( 2.716 10.902 1.260) 11.306 8.599 ( -5.063 -1.348 -3.956) 6.565 8.762 ( 0.791 3.126 4.192) 5.289 10.148 ( 4.125 11.644 0.990) 12.392 10.227 ( 3.176 -6.499 -1.823) 7.460 10.480 ( 0.756 5.586 2.132) 6.026 11.223 ( -20.801 5.253 -13.037) 25.104 11.900 ( 11.178 -14.869 7.062) 19.897 12.444 ( 3.398 -8.068 -2.094) 9.001 13.183 ( -7.586 1.940 7.601) 10.913 13.406 ( -12.306 16.884 -4.971) 21.476 14.054 ( 9.557 10.055 -2.244) 14.052 15.238 ( -1.563 9.221 -13.260) 16.227 15.959 ( 10.370 -20.011 3.599) 22.824 16.582 ( -1.394 3.878 6.847) 7.991 17.403 ( -3.406 5.273 1.030) 6.361 18.528 ( 5.402 -2.976 -6.407) 8.893 19.714 ( -4.239 -11.979 -12.485) 17.814 20.201 ( -0.512 -0.130 -0.663) 0.847 20.245 ( -0.318 -0.575 -1.200) 1.368 20.622 ( 1.470 6.197 5.359) 8.324 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -4.053 16.308 36.855) 40.505 1.793 ( 6.180 36.868 11.327) 39.061 2.804 ( -1.142 59.468 9.119) 60.174 3.595 ( 0.047 -6.651 -3.922) 7.722 4.697 ( -5.877 -10.583 -14.879) 19.181 5.132 ( -12.494 -11.648 6.839) 18.399 5.687 ( 8.435 -15.216 14.167) 22.436 5.819 ( 12.827 0.380 9.677) 16.072 5.934 ( -11.702 -14.746 5.356) 19.572 6.711 ( 4.121 8.846 4.957) 10.946 8.552 ( 2.302 0.639 -2.148) 3.213 8.841 ( 0.968 5.223 3.343) 6.276 10.114 ( 0.928 -10.449 0.115) 10.491 10.487 ( 3.426 13.150 5.686) 14.731 10.539 ( -2.914 5.783 5.280) 8.355 10.897 ( -5.039 7.536 -18.867) 20.932 11.837 ( -1.765 -17.555 2.097) 17.768 12.369 ( 0.593 -10.081 -3.049) 10.549 13.076 ( -8.667 3.333 0.136) 9.287 13.533 ( 7.168 18.857 1.125) 20.205 14.378 ( 9.069 12.130 5.024) 15.957 15.217 ( -3.973 11.466 -11.896) 16.993 15.898 ( 2.638 -20.209 6.235) 21.313 16.593 ( -5.441 2.530 7.374) 9.507 17.446 ( 0.848 5.871 1.253) 6.063 18.526 ( 1.089 -3.636 -5.373) 6.578 19.568 ( 9.266 -11.921 -11.848) 19.192 20.181 ( -1.352 1.017 -3.574) 3.954 20.227 ( 0.110 -1.305 -0.568) 1.427 20.620 ( -7.834 2.761 3.584) 9.047 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -3.002 14.457 34.729) 37.738 2.287 ( 4.879 35.306 7.982) 36.524 3.460 ( 1.284 1.403 2.025) 2.778 3.681 ( 24.680 38.398 3.707) 45.796 4.443 ( -3.264 -5.841 -13.564) 15.125 4.838 ( -11.977 -12.065 3.803) 17.420 5.541 ( -15.381 -6.367 3.447) 17.000 5.750 ( 1.631 -18.068 8.512) 20.039 6.094 ( 12.247 3.260 7.130) 14.541 6.838 ( -0.752 3.881 4.508) 5.996 8.635 ( 6.376 1.823 -0.707) 6.669 8.930 ( 0.844 4.755 4.521) 6.615 10.028 ( 1.678 -12.415 -0.513) 12.539 10.443 ( -14.653 15.488 -0.408) 21.325 10.573 ( -3.828 4.282 2.650) 6.326 11.085 ( 19.070 2.470 -7.302) 20.569 11.588 ( -8.183 -15.626 -0.358) 17.643 12.266 ( 1.346 -8.371 -3.333) 9.110 12.997 ( -3.405 3.555 -3.349) 5.954 13.926 ( 15.083 15.708 4.505) 22.238 14.589 ( -0.948 11.532 6.160) 13.109 15.178 ( -4.938 7.471 -6.836) 11.267 15.753 ( -5.506 -13.659 10.856) 18.296 16.574 ( -3.545 2.059 5.496) 6.857 17.528 ( 1.629 3.115 2.254) 4.176 18.416 ( -4.744 -5.306 -6.139) 9.399 19.595 ( 15.058 -12.677 -12.024) 23.066 20.124 ( -3.327 1.506 -5.301) 6.437 20.223 ( 1.009 -0.682 -1.050) 1.608 20.528 ( -7.406 1.893 4.353) 8.797 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 0.582 11.844 29.521) 31.814 2.746 ( 6.938 31.406 3.540) 32.357 3.425 ( -0.340 -1.326 0.687) 1.531 4.187 ( 1.695 -7.580 -4.026) 8.748 4.520 ( -1.904 -4.748 -0.670) 5.159 4.688 ( 19.504 18.221 0.029) 26.691 5.266 ( -12.623 -1.666 4.215) 13.412 5.644 ( -0.122 -11.696 1.995) 11.865 6.403 ( 13.441 9.372 6.136) 17.497 6.801 ( -7.501 -1.620 4.273) 8.784 8.758 ( 5.600 1.156 -0.699) 5.761 9.024 ( 1.770 5.591 5.163) 7.814 9.904 ( -1.802 -13.588 0.853) 13.733 10.421 ( -4.846 13.691 -1.173) 14.571 10.547 ( -4.660 4.444 0.555) 6.463 11.256 ( 1.154 -10.291 -7.090) 12.550 11.309 ( -3.728 -6.671 1.052) 7.714 12.263 ( 8.466 -3.476 -3.675) 9.862 12.985 ( 1.426 1.365 -3.812) 4.293 14.289 ( 8.060 7.954 3.158) 11.756 14.689 ( -2.255 9.709 6.334) 11.810 15.129 ( -3.735 4.605 -1.557) 6.130 15.636 ( -7.436 -0.948 14.975) 16.746 16.581 ( -0.855 1.196 3.195) 3.517 17.569 ( -0.784 -0.394 3.848) 3.946 18.200 ( -9.407 -4.889 -8.967) 13.885 19.646 ( 13.448 -12.776 -10.654) 21.391 20.061 ( -1.952 1.962 -4.772) 5.517 20.230 ( 1.276 -0.161 -2.091) 2.455 20.473 ( -4.442 1.429 4.468) 6.460 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 3.922 8.530 22.282) 24.179 3.142 ( 6.474 23.842 0.354) 24.708 3.452 ( -0.069 4.109 1.802) 4.487 4.040 ( -7.153 -6.569 -0.537) 9.727 4.387 ( 4.231 -8.900 -5.347) 11.212 4.846 ( -9.331 -8.253 4.670) 13.304 5.374 ( 9.544 0.563 1.619) 9.697 5.629 ( 9.531 2.037 -1.340) 9.838 6.530 ( -9.519 -7.207 -3.897) 12.559 6.934 ( 15.733 22.888 10.799) 29.799 8.795 ( 0.488 -3.495 -1.252) 3.745 9.156 ( 1.484 5.894 5.105) 7.938 9.737 ( -3.898 -9.639 1.965) 10.582 10.455 ( -4.829 6.109 3.624) 8.589 10.554 ( 0.672 6.276 -5.749) 8.538 11.005 ( -5.988 -11.053 -0.861) 12.600 11.241 ( -3.594 -4.055 -2.905) 6.148 12.403 ( 12.205 -1.101 -5.499) 13.432 13.016 ( 4.860 -2.172 -2.604) 5.927 14.358 ( -5.230 4.079 2.010) 6.931 14.732 ( -6.072 3.736 3.297) 7.855 15.149 ( 0.544 -0.055 5.325) 5.353 15.724 ( 0.667 13.221 14.732) 19.806 16.599 ( 0.760 -0.546 1.488) 1.758 17.545 ( -3.748 -2.424 6.351) 7.763 17.917 ( -11.757 -2.240 -12.705) 17.454 19.671 ( 10.894 -12.404 -7.670) 18.203 20.046 ( 0.904 2.041 -3.928) 4.518 20.236 ( 1.206 -0.023 -2.481) 2.759 20.455 ( -2.785 1.949 3.681) 5.010 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 4.878 3.622 13.953) 15.219 3.400 ( 0.032 2.812 0.180) 2.818 3.453 ( -5.068 16.506 -0.435) 17.272 3.908 ( -2.875 -1.884 2.166) 4.063 4.409 ( 3.861 -0.160 -2.603) 4.660 4.655 ( -2.608 -6.708 2.476) 7.611 5.376 ( 2.337 -8.872 -4.065) 10.035 5.894 ( 14.390 0.451 3.187) 14.746 6.201 ( -13.352 -12.560 -3.765) 18.714 7.553 ( 18.012 29.053 4.357) 34.460 8.667 ( -8.954 -8.442 -2.350) 12.528 9.157 ( -5.230 -5.250 7.451) 10.509 9.702 ( 1.519 5.346 -1.135) 5.672 10.464 ( -0.703 2.150 3.564) 4.222 10.507 ( -3.247 -3.301 -6.114) 7.670 10.924 ( 0.526 -0.689 5.215) 5.287 11.123 ( -2.957 -1.601 -4.156) 5.346 12.535 ( 9.050 -1.134 -7.617) 11.884 13.074 ( 7.648 -5.610 -0.372) 9.493 14.302 ( -8.999 8.333 1.055) 12.310 14.625 ( -8.139 -1.380 1.146) 8.334 15.157 ( -2.736 -2.647 8.075) 8.927 15.996 ( 2.430 12.884 11.726) 17.590 16.624 ( 4.388 -2.623 0.862) 5.184 17.469 ( -9.467 -2.183 6.748) 11.829 17.664 ( -5.622 2.533 -13.075) 14.456 19.683 ( 8.947 -11.928 -4.077) 15.458 20.076 ( 2.814 1.920 -3.838) 5.132 20.241 ( 1.016 -0.173 -1.495) 1.815 20.457 ( -2.087 3.306 2.117) 4.446 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( -5.454 -3.392 0.666) 6.457 3.295 ( -5.248 1.225 5.994) 8.061 3.571 ( -4.987 7.854 0.437) 9.314 3.904 ( 0.469 6.017 1.419) 6.200 4.419 ( -4.256 6.849 0.044) 8.064 4.739 ( 15.086 -3.756 -1.008) 15.579 5.286 ( 1.688 -8.629 -6.595) 10.991 5.833 ( -12.117 -11.591 -3.855) 17.206 6.150 ( 14.417 -3.333 5.312) 15.722 7.908 ( -16.802 14.622 -2.987) 22.473 8.423 ( 2.238 -4.908 2.743) 6.051 9.089 ( 1.100 -6.858 4.808) 8.447 9.742 ( -5.194 8.340 -5.748) 11.383 10.416 ( 1.191 -4.081 0.344) 4.265 10.538 ( 5.425 0.387 3.100) 6.260 10.964 ( -2.536 2.787 7.003) 7.952 11.105 ( 4.192 1.469 -4.962) 6.660 12.591 ( 4.339 -1.083 -7.635) 8.848 13.158 ( 9.769 -7.325 0.220) 12.212 14.222 ( -12.381 12.180 -2.511) 17.549 14.496 ( -3.912 -5.101 3.345) 7.247 15.121 ( -3.451 -2.032 6.018) 7.228 16.063 ( -11.074 1.873 8.476) 14.071 16.753 ( 11.359 -0.711 1.156) 11.440 17.260 ( -11.662 1.193 -4.508) 12.560 17.675 ( 3.798 6.005 0.173) 7.108 19.692 ( 7.298 -11.348 -0.759) 13.513 20.116 ( 2.956 1.144 -5.122) 6.024 20.255 ( 1.229 -0.501 1.683) 2.143 20.473 ( -1.590 5.178 -0.487) 5.438 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -17.991 -4.608 -6.580) 19.703 3.323 ( 0.697 -0.085 6.288) 6.327 3.429 ( -16.566 2.345 3.186) 17.032 4.071 ( 6.269 10.784 1.669) 12.585 4.405 ( -1.773 2.326 -3.478) 4.545 4.940 ( 14.790 -7.196 -8.779) 18.644 5.253 ( 3.441 1.429 0.167) 3.730 5.554 ( -6.319 -8.271 -3.449) 10.966 6.378 ( 12.230 -3.678 6.223) 14.207 7.339 ( -42.675 -2.566 -2.741) 42.840 8.600 ( 8.110 -0.342 4.107) 9.097 9.114 ( 3.420 -1.813 0.280) 3.881 9.646 ( -5.876 4.453 -6.125) 9.586 10.439 ( 1.815 -1.179 2.302) 3.159 10.687 ( 8.912 -0.470 3.314) 9.520 10.988 ( -2.860 4.777 5.252) 7.654 11.210 ( 8.756 3.063 -4.423) 10.277 12.552 ( -2.583 -2.327 -5.965) 6.904 13.251 ( 9.839 -7.224 -2.353) 12.431 14.119 ( -10.172 11.753 -2.235) 15.703 14.447 ( -0.533 -4.201 6.417) 7.688 15.084 ( -1.954 -0.713 1.716) 2.696 15.825 ( -18.716 -5.066 6.836) 20.560 16.857 ( -1.516 1.043 -4.960) 5.290 17.186 ( 5.034 2.541 -0.841) 5.702 17.854 ( 7.560 7.320 4.448) 11.425 19.699 ( 5.864 -10.775 1.939) 12.419 20.129 ( 1.794 0.473 -5.536) 5.838 20.289 ( 1.176 -1.387 4.478) 4.833 20.499 ( -0.600 6.759 -4.010) 7.882 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -24.397 -3.355 -7.865) 25.852 3.120 ( -26.004 2.007 3.975) 26.383 3.371 ( 2.315 -0.189 3.518) 4.216 4.271 ( 7.626 -1.966 2.316) 8.209 4.402 ( 3.951 6.010 -8.618) 11.225 4.962 ( 4.857 -7.472 -8.911) 12.603 5.349 ( -1.350 0.487 -2.173) 2.605 5.455 ( 0.301 3.100 2.078) 3.744 6.478 ( -14.453 -4.239 4.715) 15.782 6.667 ( -14.816 -1.930 1.195) 14.989 8.687 ( 2.540 -2.337 3.822) 5.150 9.070 ( -7.927 -0.292 -1.304) 8.039 9.671 ( 8.625 2.190 -2.776) 9.321 10.446 ( -0.848 -1.950 1.134) 2.410 10.788 ( -1.156 0.700 2.676) 2.997 11.073 ( 6.108 4.654 2.196) 7.987 11.379 ( 10.521 2.635 -5.692) 12.248 12.402 ( -7.363 -3.384 -2.737) 8.553 13.280 ( 3.438 -5.782 -6.249) 9.181 14.121 ( -3.100 11.178 2.054) 11.781 14.444 ( -2.804 -3.779 9.704) 10.785 15.076 ( 2.155 0.825 -2.823) 3.646 15.499 ( -15.472 -6.269 5.005) 17.428 16.753 ( -6.176 2.458 -6.816) 9.521 17.341 ( 8.340 0.262 1.307) 8.446 18.102 ( 9.923 6.765 5.027) 13.019 19.708 ( 4.990 -9.435 4.611) 11.627 20.130 ( 1.435 0.751 -4.241) 4.540 20.308 ( -0.254 -2.140 4.513) 5.001 20.528 ( 0.209 6.232 -7.238) 9.554 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -27.174 -0.138 -4.839) 27.602 2.648 ( -33.497 0.467 2.124) 33.567 3.445 ( 4.139 0.288 1.155) 4.307 4.236 ( -7.114 -9.701 -0.257) 12.033 4.534 ( -0.035 11.687 -5.302) 12.834 4.871 ( -6.956 3.654 -6.163) 9.986 5.187 ( -1.648 -9.971 -2.765) 10.477 5.535 ( 1.423 4.836 2.648) 5.694 6.177 ( -8.229 0.797 4.267) 9.304 6.689 ( 2.438 -2.135 3.757) 4.962 8.722 ( 0.745 -0.006 3.295) 3.378 8.893 ( -10.444 -0.087 -0.275) 10.448 9.873 ( 13.387 -0.668 0.823) 13.429 10.389 ( -3.955 -1.349 -0.320) 4.191 10.706 ( -8.873 1.350 -2.649) 9.357 11.276 ( 13.040 -0.026 0.993) 13.078 11.497 ( 4.065 2.293 -5.656) 7.333 12.284 ( -1.977 -0.947 1.725) 2.789 13.191 ( -3.002 -2.950 -7.134) 8.283 14.201 ( -3.394 10.879 1.794) 11.536 14.316 ( -15.477 -6.750 12.330) 20.908 15.173 ( 7.904 3.023 -3.359) 9.105 15.334 ( 3.255 -6.009 1.725) 7.048 16.638 ( -5.330 1.362 -5.094) 7.498 17.448 ( 3.636 -0.740 1.423) 3.974 18.347 ( 9.839 3.227 2.094) 10.565 19.764 ( 5.966 -4.847 9.124) 11.930 20.143 ( 1.458 1.211 -3.018) 3.564 20.295 ( -1.288 -2.151 2.907) 3.839 20.521 ( -0.781 3.341 -10.185) 10.747 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -24.406 6.410 6.895) 26.158 2.062 ( -37.313 2.060 -0.971) 37.382 3.432 ( -18.955 4.498 1.182) 19.517 3.801 ( -30.505 8.478 3.504) 31.855 4.543 ( 7.794 -4.484 -4.290) 9.963 4.944 ( 8.759 11.918 -8.905) 17.264 5.199 ( 10.855 -13.629 7.882) 19.124 5.615 ( 2.383 0.417 2.061) 3.179 6.163 ( -1.370 2.057 6.126) 6.606 6.677 ( -4.306 -0.674 0.765) 4.425 8.732 ( -3.306 -3.013 6.443) 7.844 8.770 ( -3.934 4.834 -2.271) 6.633 10.060 ( 8.755 -5.812 3.300) 11.014 10.312 ( -4.209 6.202 -4.728) 8.862 10.518 ( -8.579 -2.537 -5.386) 10.443 11.479 ( 7.422 -4.382 7.018) 11.115 11.529 ( 4.200 5.563 -6.403) 9.465 12.334 ( 5.515 -0.336 2.134) 5.923 13.089 ( -3.385 2.842 -4.288) 6.158 13.987 ( -24.306 -2.190 9.981) 26.366 14.202 ( -5.867 4.005 -2.526) 7.539 15.232 ( 5.244 -3.421 -5.479) 8.320 15.560 ( 20.543 -2.622 3.020) 20.929 16.546 ( -3.800 0.599 -2.218) 4.440 17.470 ( -1.318 -0.010 1.419) 1.937 18.489 ( 7.318 -3.041 -3.201) 8.547 19.942 ( 8.164 0.498 14.354) 16.521 20.165 ( 1.466 2.622 -2.643) 4.002 20.263 ( -1.522 -1.814 0.681) 2.464 20.434 ( -3.189 0.186 -12.542) 12.942 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -8.832 16.203 30.581) 35.718 2.000 ( -16.643 30.857 1.499) 35.091 3.414 ( -3.722 2.647 -1.518) 4.813 3.888 ( -37.095 28.940 6.972) 47.562 4.673 ( 12.665 -6.713 -3.287) 14.706 5.076 ( 11.847 -9.180 9.242) 17.607 5.304 ( 10.972 8.653 -9.415) 16.849 5.614 ( -4.887 -12.044 21.878) 25.447 6.273 ( -2.606 -9.007 6.871) 11.625 6.553 ( -0.203 3.809 -5.790) 6.933 8.670 ( -5.293 -0.626 -2.518) 5.895 8.825 ( -2.150 3.843 5.383) 6.955 10.092 ( 4.477 -7.705 1.661) 9.065 10.248 ( -4.411 8.505 -2.833) 9.991 10.501 ( 4.569 7.391 -1.455) 8.810 11.401 ( -1.058 -6.097 -6.419) 8.915 11.677 ( 4.919 -3.986 4.864) 7.984 12.329 ( -1.635 -5.655 -0.267) 5.893 13.380 ( -6.820 3.836 7.734) 11.002 13.765 ( -10.066 13.058 -1.401) 16.547 14.006 ( -1.520 6.934 -8.788) 11.297 15.238 ( 3.378 4.709 -0.647) 5.831 15.607 ( 11.507 -17.408 4.318) 21.309 16.683 ( 0.798 6.589 7.771) 10.219 17.492 ( -1.832 0.758 2.870) 3.488 18.313 ( 9.540 -5.864 -8.194) 13.876 19.652 ( -9.854 -10.504 -12.867) 19.313 20.208 ( -0.920 -0.616 0.242) 1.133 20.238 ( -0.699 -0.452 -2.564) 2.696 20.641 ( 6.461 6.099 4.828) 10.112 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 1.413 18.656 32.339) 37.361 2.178 ( -4.335 35.211 6.757) 36.114 3.401 ( -0.767 4.905 -0.716) 5.016 3.703 ( -21.777 28.497 4.379) 36.132 4.621 ( -3.728 -4.883 -9.156) 11.026 5.240 ( -3.409 -4.035 1.108) 5.397 5.378 ( 10.959 -11.056 2.943) 15.843 5.692 ( 10.169 -4.839 19.274) 22.323 6.057 ( -12.293 -10.400 2.833) 16.349 6.672 ( 8.948 3.024 -0.022) 9.445 8.579 ( -3.738 2.511 -1.663) 4.800 8.892 ( 0.876 4.875 3.922) 6.318 10.000 ( -0.520 -12.643 0.666) 12.672 10.426 ( 9.543 12.148 0.974) 15.479 10.639 ( 3.503 7.688 0.011) 8.449 11.172 ( -17.506 2.306 -5.697) 18.554 11.676 ( 1.771 -12.531 0.991) 12.694 12.231 ( 0.434 -9.944 -3.316) 10.491 13.285 ( -9.876 0.540 5.729) 11.430 13.692 ( -5.956 17.264 -4.177) 18.734 14.293 ( 15.178 14.003 -0.760) 20.665 15.304 ( -1.120 4.397 -0.301) 4.547 15.654 ( 10.082 -13.900 5.973) 18.180 16.776 ( -4.350 4.930 10.897) 12.727 17.498 ( -0.599 2.203 2.608) 3.466 18.375 ( 7.991 -4.465 -6.923) 11.477 19.335 ( -3.872 -11.452 -13.212) 17.907 20.190 ( -0.743 0.299 -1.573) 1.765 20.208 ( -0.361 -1.216 -2.138) 2.486 20.735 ( -1.734 1.501 1.949) 3.010 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -4.315 14.943 29.633) 33.467 2.598 ( 4.556 32.853 9.862) 34.603 3.412 ( 1.658 -4.835 -1.341) 5.284 3.836 ( 2.379 26.716 1.581) 26.868 4.460 ( -7.570 7.417 -6.893) 12.643 4.974 ( -14.427 -8.385 -1.097) 16.723 5.495 ( 10.153 -13.800 3.320) 17.451 5.742 ( -12.861 -9.436 4.507) 16.576 5.982 ( 11.227 3.426 10.422) 15.697 6.829 ( 6.421 -0.724 1.904) 6.736 8.592 ( 1.710 4.595 -0.388) 4.918 8.973 ( 1.211 3.445 2.855) 4.635 9.885 ( 0.869 -12.505 1.407) 12.614 10.646 ( 0.804 3.242 2.557) 4.206 10.815 ( 11.553 7.013 -8.262) 15.840 10.895 ( -17.682 12.763 4.259) 22.219 11.524 ( -3.239 -14.705 -1.443) 15.127 12.123 ( 1.715 -10.079 -4.729) 11.264 13.145 ( -10.148 4.246 -1.056) 11.051 13.890 ( 9.310 12.698 3.742) 16.184 14.606 ( 9.068 8.011 -0.269) 12.103 15.287 ( -3.570 1.086 1.154) 3.906 15.756 ( 4.297 0.291 7.435) 8.592 16.763 ( -9.124 3.018 12.003) 15.376 17.545 ( 1.278 2.170 2.412) 3.487 18.363 ( 0.523 -6.052 -5.805) 8.402 19.186 ( 8.992 -11.759 -13.305) 19.903 20.151 ( -2.341 0.587 -4.143) 4.795 20.190 ( 0.940 -1.274 -1.344) 2.077 20.674 ( -6.165 -0.008 1.444) 6.332 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -4.409 12.529 25.710) 28.939 2.999 ( 2.117 27.382 7.880) 28.572 3.399 ( 2.379 -1.202 -0.068) 2.666 4.037 ( 5.106 -3.641 -3.868) 7.369 4.557 ( -1.215 5.928 -0.567) 6.078 4.683 ( -3.697 6.531 -1.516) 7.656 5.474 ( -3.855 -10.338 1.231) 11.101 5.499 ( -5.010 -4.139 2.682) 7.030 6.309 ( 13.631 10.645 5.910) 18.277 6.869 ( -0.405 -4.220 3.594) 5.558 8.691 ( 4.151 3.878 -0.753) 5.730 9.039 ( 3.023 0.903 2.831) 4.239 9.798 ( 0.402 -11.022 2.140) 11.235 10.608 ( -5.257 6.063 -4.036) 8.983 10.764 ( -10.691 8.513 5.212) 14.626 11.070 ( 7.186 0.683 -3.698) 8.111 11.309 ( -4.487 -10.957 0.888) 11.874 12.069 ( 6.007 -5.874 -5.632) 10.115 13.036 ( -6.222 4.804 -3.811) 8.736 14.186 ( 12.238 1.158 5.149) 13.327 14.778 ( 3.376 7.765 2.257) 8.763 15.237 ( -4.508 -0.083 3.676) 5.817 15.867 ( -3.614 12.225 7.318) 14.699 16.705 ( -8.010 1.463 10.912) 13.615 17.592 ( 0.441 0.736 2.741) 2.872 18.218 ( -5.186 -6.968 -6.401) 10.790 19.206 ( 15.072 -12.164 -12.651) 23.134 20.087 ( -2.616 0.915 -4.550) 5.328 20.190 ( 1.385 -0.945 -1.888) 2.525 20.585 ( -5.232 0.150 2.197) 5.677 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -2.973 9.386 20.617) 22.847 3.271 ( 2.123 14.195 2.795) 14.623 3.514 ( 4.319 11.618 3.828) 12.973 4.028 ( 1.893 -2.986 -3.146) 4.733 4.299 ( -9.158 -9.605 -2.827) 13.569 4.873 ( 2.394 -4.283 4.257) 6.496 5.326 ( -3.263 -4.204 -1.252) 5.467 5.497 ( 5.106 3.032 -0.366) 5.950 6.539 ( -1.661 -2.753 -6.283) 7.058 6.973 ( 11.662 16.073 11.835) 23.118 8.747 ( 1.172 -0.989 -2.199) 2.681 9.145 ( 6.168 -0.076 2.938) 6.832 9.710 ( -1.421 -7.003 3.156) 7.811 10.604 ( -1.724 7.146 -3.290) 8.054 10.684 ( -10.726 5.845 4.804) 13.126 10.961 ( -4.545 -9.788 -3.780) 11.434 11.241 ( -1.370 -3.757 0.980) 4.117 12.157 ( 11.630 -1.114 -5.686) 12.993 12.979 ( -2.315 2.681 -3.852) 5.233 14.344 ( 7.346 -6.232 3.474) 10.241 14.892 ( -3.642 7.171 4.426) 9.180 15.201 ( -2.171 0.650 5.280) 5.746 15.980 ( -4.131 17.394 7.184) 19.267 16.658 ( -5.544 -0.618 8.914) 10.515 17.604 ( -1.485 0.142 3.516) 3.819 17.995 ( -8.925 -4.842 -8.798) 13.435 19.274 ( 15.148 -12.583 -10.158) 22.158 20.041 ( -0.941 1.572 -4.147) 4.534 20.195 ( 1.607 -0.908 -1.801) 2.579 20.536 ( -2.975 0.989 2.460) 3.985 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -1.946 5.262 14.034) 15.114 3.415 ( 2.701 5.094 1.413) 5.937 3.721 ( -2.939 17.761 3.176) 18.281 3.940 ( -5.018 -3.927 -0.031) 6.372 4.216 ( 9.211 -3.986 -1.821) 10.200 4.766 ( -8.581 -2.988 2.667) 9.470 5.232 ( 1.379 -9.813 -3.129) 10.391 5.679 ( 11.279 1.265 0.857) 11.382 6.270 ( -12.099 -12.492 -5.759) 18.320 7.543 ( 19.308 26.395 6.365) 33.317 8.684 ( -3.278 -4.576 -3.766) 6.773 9.184 ( -0.964 -9.404 4.069) 10.292 9.723 ( 2.976 5.478 3.173) 6.995 10.535 ( -7.379 -2.671 -4.989) 9.299 10.585 ( -7.910 2.521 3.729) 9.101 10.893 ( 3.289 0.769 1.371) 3.645 11.149 ( -4.164 -3.683 -1.183) 5.684 12.319 ( 11.242 0.273 -5.458) 12.500 12.963 ( 1.187 -0.351 -2.060) 2.403 14.405 ( 3.168 -1.782 3.079) 4.764 14.801 ( -12.242 0.276 1.926) 12.395 15.225 ( -1.614 1.031 5.051) 5.402 16.167 ( 1.281 15.898 7.387) 17.577 16.603 ( -4.204 -4.457 7.198) 9.452 17.606 ( -2.533 1.432 6.653) 7.261 17.733 ( -10.533 -0.408 -13.180) 16.877 19.345 ( 13.643 -12.286 -6.404) 19.444 20.036 ( 1.152 1.734 -3.995) 4.505 20.206 ( 1.738 -0.783 -0.714) 2.036 20.528 ( -1.687 2.241 1.848) 3.359 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( -4.837 0.035 4.591) 6.668 3.439 ( -4.489 0.002 4.939) 6.674 3.751 ( -7.083 9.823 0.307) 12.114 3.950 ( 1.905 5.910 1.967) 6.513 4.391 ( 14.696 -2.658 -2.109) 15.083 4.638 ( -8.700 4.190 0.415) 9.665 5.155 ( 2.370 -7.032 -2.917) 7.973 5.836 ( 1.208 -11.931 -1.298) 12.062 5.950 ( 0.211 -4.135 -1.068) 4.276 8.105 ( 14.311 23.060 1.677) 27.192 8.481 ( -12.922 -6.510 -3.558) 14.900 9.026 ( -3.893 -14.837 5.698) 16.364 9.875 ( 0.033 11.764 -1.047) 11.811 10.368 ( -2.230 -5.572 -0.370) 6.013 10.530 ( -2.463 0.586 2.844) 3.808 10.997 ( 5.166 1.520 -1.546) 5.603 11.058 ( -2.345 -0.347 0.397) 2.404 12.457 ( 7.608 1.477 -4.263) 8.845 12.988 ( 4.324 -2.700 -0.257) 5.105 14.456 ( -1.488 5.202 2.104) 5.805 14.567 ( -12.110 -4.835 -0.268) 13.043 15.206 ( -4.006 0.007 3.563) 5.361 16.325 ( -8.276 8.035 8.215) 14.161 16.564 ( 7.199 -6.130 2.803) 9.862 17.444 ( -12.856 -1.040 -5.393) 13.980 17.694 ( 2.059 8.386 0.254) 8.638 19.414 ( 11.570 -11.444 -2.647) 16.487 20.055 ( 2.140 1.341 -4.525) 5.182 20.233 ( 1.978 -0.508 1.410) 2.482 20.538 ( -1.369 3.450 0.308) 3.724 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -12.859 -2.063 -3.186) 13.408 3.404 ( -4.137 1.096 7.035) 8.235 3.685 ( -8.736 3.204 2.285) 9.582 4.095 ( 3.714 10.112 0.971) 10.816 4.455 ( -2.134 -9.720 -9.097) 13.483 4.614 ( 6.210 3.294 -1.461) 7.180 5.201 ( 6.395 3.289 1.665) 7.382 5.576 ( -7.686 -7.708 -2.668) 11.207 6.131 ( 14.786 -4.393 3.253) 15.764 7.988 ( -34.966 0.788 -3.471) 35.146 8.509 ( 9.077 6.504 4.922) 12.203 8.936 ( 7.757 -13.275 2.358) 15.555 9.841 ( -11.815 8.206 -4.841) 15.178 10.395 ( 4.576 -0.892 3.226) 5.669 10.563 ( 5.628 -0.956 2.322) 6.163 11.020 ( 3.923 -0.588 -6.667) 7.757 11.118 ( 2.472 3.531 2.976) 5.238 12.540 ( 1.580 2.198 -1.946) 3.334 13.047 ( 6.598 -3.407 -0.615) 7.451 14.317 ( -9.943 -2.445 -1.233) 10.313 14.502 ( -1.755 3.628 3.705) 5.475 15.151 ( -4.207 0.984 0.360) 4.335 16.131 ( -18.254 -4.134 6.536) 19.824 16.737 ( 11.493 -0.062 -2.279) 11.717 17.228 ( -7.930 0.003 -2.697) 8.376 17.850 ( 4.854 9.014 2.618) 10.567 19.478 ( 9.347 -10.135 0.640) 13.801 20.074 ( 1.990 1.119 -4.539) 5.081 20.276 ( 1.953 -0.708 3.367) 3.956 20.547 ( -1.340 4.110 -2.326) 4.909 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -20.041 -0.135 -4.874) 20.625 3.385 ( -3.472 1.032 2.786) 4.569 3.554 ( -15.754 4.513 5.193) 17.191 4.117 ( 0.584 -13.759 -4.049) 14.354 4.389 ( 4.206 11.776 -5.248) 13.561 4.704 ( 8.362 -6.221 -5.219) 11.656 5.357 ( 1.676 4.718 -2.466) 5.581 5.493 ( 1.616 4.230 5.599) 7.201 6.348 ( 13.606 -5.465 3.749) 15.134 7.305 ( -43.896 0.890 0.435) 43.907 8.654 ( 2.783 0.218 5.238) 5.935 9.023 ( 10.328 -8.247 0.997) 13.255 9.684 ( -9.042 5.074 -3.122) 10.829 10.440 ( 0.408 -0.208 -0.069) 0.463 10.715 ( 9.143 -0.487 2.786) 9.571 11.047 ( 3.413 0.786 -8.014) 8.746 11.222 ( 6.051 2.061 0.325) 6.401 12.507 ( -6.457 1.087 0.841) 6.602 13.130 ( 6.506 -1.406 -2.744) 7.200 14.188 ( -2.217 -4.094 2.822) 5.444 14.543 ( -0.907 5.221 4.567) 6.995 15.096 ( -3.338 2.969 -3.557) 5.710 15.776 ( -20.941 -6.458 4.462) 22.364 16.805 ( -1.340 1.850 -7.744) 8.074 17.209 ( 6.300 -2.142 3.501) 7.519 18.042 ( 7.158 6.129 1.709) 9.577 19.547 ( 7.728 -7.202 4.263) 11.391 20.092 ( 1.691 1.626 -3.595) 4.293 20.313 ( 0.706 -1.696 4.226) 4.608 20.540 ( -1.119 3.676 -5.851) 7.000 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -24.300 3.701 -1.701) 24.639 3.169 ( -26.546 0.227 -1.235) 26.576 3.426 ( -1.633 1.307 2.504) 3.263 4.056 ( 8.670 -9.672 -1.925) 13.131 4.583 ( 5.613 13.592 -4.824) 15.476 4.753 ( 10.050 -8.999 -1.563) 13.581 5.337 ( -8.042 5.117 -1.446) 9.641 5.609 ( -1.945 5.137 3.083) 6.299 6.462 ( -4.770 -5.415 7.031) 10.075 6.701 ( -20.578 4.313 1.413) 21.072 8.726 ( 2.050 0.992 4.678) 5.203 9.030 ( -3.700 -3.949 1.035) 5.510 9.675 ( 6.555 -0.536 0.890) 6.637 10.420 ( -1.671 0.308 -2.099) 2.700 10.800 ( -2.194 1.264 -3.643) 4.436 11.074 ( 8.124 -2.870 -4.576) 9.756 11.361 ( 9.358 0.386 -2.350) 9.657 12.409 ( -7.949 2.854 4.874) 9.752 13.171 ( 0.706 1.649 -4.691) 5.022 14.173 ( 2.698 -8.347 6.513) 10.926 14.611 ( -3.670 7.007 4.206) 8.958 15.080 ( 2.175 4.077 -4.829) 6.684 15.408 ( -16.884 -5.446 2.412) 17.904 16.709 ( -5.348 1.025 -5.559) 7.781 17.344 ( 8.240 -2.615 3.130) 9.195 18.205 ( 8.448 -0.353 -2.315) 8.766 19.674 ( 8.009 -1.093 9.272) 12.301 20.119 ( 1.446 2.367 -2.819) 3.955 20.313 ( -1.054 -2.582 3.722) 4.651 20.502 ( -1.439 1.685 -9.251) 9.513 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -22.837 9.440 8.056) 25.991 2.659 ( -32.118 2.544 -2.804) 32.341 3.446 ( 1.908 -0.190 -1.361) 2.351 4.161 ( 10.069 -3.118 3.772) 11.195 4.728 ( -6.943 13.328 -3.205) 15.366 4.842 ( 7.314 -5.322 1.576) 9.182 5.088 ( -19.539 6.168 -2.056) 20.592 5.601 ( -0.044 -0.257 2.760) 2.772 6.294 ( -8.444 -0.137 11.241) 14.060 6.678 ( 2.031 -0.090 -2.044) 2.883 8.790 ( -0.389 1.465 5.709) 5.906 8.897 ( -7.800 0.109 -0.609) 7.824 9.844 ( 12.686 -5.018 4.734) 14.441 10.380 ( -2.113 3.034 -4.336) 5.698 10.635 ( -11.172 0.732 -9.561) 14.723 11.211 ( 13.403 -6.059 0.351) 14.713 11.496 ( 7.935 0.164 -2.596) 8.351 12.379 ( -4.811 4.716 7.025) 9.733 13.163 ( -2.054 7.317 -3.528) 8.379 14.124 ( -2.299 -14.499 7.634) 16.547 14.524 ( -16.015 8.715 -3.073) 18.490 15.148 ( -2.614 1.300 -4.188) 5.105 15.273 ( 11.165 -2.981 4.639) 12.452 16.609 ( -4.321 1.037 -1.963) 4.858 17.447 ( 4.489 -1.952 2.656) 5.569 18.278 ( 8.114 -6.924 -6.910) 12.710 19.899 ( 8.039 2.730 11.801) 14.537 20.156 ( 2.055 4.338 -2.264) 5.307 20.277 ( -1.909 -2.792 1.970) 3.914 20.409 ( -2.676 -0.622 -10.765) 11.110 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -10.603 14.874 24.341) 30.433 2.550 ( -16.400 24.430 -0.878) 29.438 3.366 ( 0.767 -3.493 -2.142) 4.168 4.310 ( 9.294 -7.503 -6.520) 13.609 4.698 ( 0.618 -3.868 10.700) 11.394 5.059 ( -19.046 18.028 7.367) 27.240 5.191 ( 6.965 7.124 -6.408) 11.846 5.665 ( 0.889 -6.343 11.889) 13.504 6.325 ( -8.310 0.277 8.207) 11.683 6.526 ( -1.397 -2.945 -8.720) 9.309 8.707 ( -3.544 -4.281 -0.976) 5.643 8.981 ( -4.946 7.643 4.150) 10.005 9.938 ( 6.659 -9.393 5.428) 12.729 10.402 ( -5.190 5.592 -0.694) 7.661 10.468 ( 3.397 8.439 -7.689) 11.912 11.171 ( 10.380 -9.911 -1.903) 14.477 11.559 ( 9.123 -3.830 -1.749) 10.048 12.445 ( -11.528 1.121 2.750) 11.904 13.556 ( -7.258 -2.432 5.332) 9.328 13.811 ( 9.887 12.931 -2.603) 16.485 14.230 ( -15.797 1.594 -4.897) 16.615 15.269 ( -1.017 6.627 4.539) 8.097 15.332 ( 7.205 -10.614 4.752) 13.680 16.771 ( 2.153 7.810 6.209) 10.207 17.500 ( 2.716 -3.470 5.720) 7.221 18.024 ( 10.556 -6.099 -9.573) 15.501 19.667 ( -11.608 -8.688 -12.290) 19.007 20.219 ( -1.435 -2.195 -0.593) 2.689 20.232 ( -0.767 0.841 -2.162) 2.443 20.594 ( 8.823 5.449 4.523) 11.313 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -2.290 19.410 24.731) 31.521 2.632 ( -7.603 28.911 4.645) 30.253 3.340 ( 1.568 -3.274 -1.793) 4.049 4.161 ( -9.061 -5.910 -6.635) 12.691 4.758 ( -6.185 8.392 7.979) 13.128 5.098 ( 5.063 2.283 5.125) 7.557 5.300 ( 1.581 2.806 -9.374) 9.912 5.658 ( -0.012 -7.277 15.502) 17.125 6.205 ( -11.911 -0.575 6.651) 13.654 6.505 ( 8.090 -1.433 -5.856) 10.089 8.633 ( -1.322 -1.444 -0.819) 2.122 8.996 ( -4.251 6.965 3.948) 9.065 9.900 ( -0.514 -11.811 3.083) 12.218 10.456 ( 1.974 11.542 0.526) 11.722 10.601 ( 6.567 4.760 -3.518) 8.841 11.205 ( 5.394 -6.921 -2.905) 9.243 11.598 ( 1.656 -6.317 -1.286) 6.656 12.233 ( -12.405 -3.487 -0.559) 12.898 13.425 ( -4.270 -4.256 4.082) 7.281 13.978 ( -14.459 8.782 -4.961) 17.630 14.192 ( 13.168 16.928 0.187) 21.447 15.341 ( 0.713 -3.908 3.736) 5.454 15.422 ( 9.924 0.492 7.611) 12.516 16.929 ( 1.129 6.861 9.959) 12.146 17.532 ( 0.210 -2.335 6.793) 7.186 18.110 ( 11.687 -4.118 -8.713) 15.148 19.289 ( -11.851 -10.254 -14.210) 21.155 20.176 ( -0.230 -2.136 -1.651) 2.710 20.211 ( -1.471 0.793 -1.989) 2.598 20.744 ( 2.914 1.161 1.415) 3.442 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -2.049 14.954 24.976) 29.182 2.899 ( 1.964 31.202 4.686) 31.613 3.338 ( 1.835 -2.084 0.044) 2.777 3.948 ( -4.430 -4.243 -4.803) 7.790 4.726 ( -9.827 8.693 3.072) 13.475 5.100 ( -9.079 -9.084 -7.629) 14.938 5.253 ( 5.890 -3.056 2.249) 7.007 5.778 ( 6.339 -2.902 7.523) 10.257 6.067 ( -10.748 9.938 8.642) 16.999 6.642 ( 12.015 -3.991 -1.938) 12.808 8.629 ( 0.272 2.904 0.310) 2.933 9.012 ( -1.942 1.999 2.547) 3.775 9.788 ( -1.157 -10.299 3.401) 10.908 10.648 ( 5.124 6.730 4.003) 9.358 10.700 ( 5.593 4.192 -7.156) 10.003 11.196 ( -1.724 1.387 -0.255) 2.227 11.479 ( -6.994 -6.456 0.223) 9.521 12.007 ( -5.047 -7.880 -4.430) 10.353 13.341 ( -7.387 -0.228 2.867) 7.927 13.898 ( -0.500 5.451 -2.277) 5.929 14.532 ( 10.180 12.630 0.478) 16.229 15.330 ( -0.814 -2.951 4.836) 5.724 15.701 ( 11.589 9.167 6.316) 16.069 17.024 ( -5.766 4.792 13.941) 15.829 17.558 ( 0.505 -1.001 6.345) 6.444 18.196 ( 8.178 -4.583 -7.844) 12.223 18.950 ( -4.344 -10.996 -14.681) 18.850 20.148 ( 0.381 -2.124 -1.986) 2.932 20.174 ( -1.817 0.690 -2.858) 3.457 20.744 ( -2.533 -1.277 -0.184) 2.843 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -4.590 11.079 18.151) 21.755 3.267 ( 3.548 24.082 5.988) 25.067 3.349 ( -0.197 -0.064 2.130) 2.140 3.906 ( 5.108 -2.989 -1.440) 6.091 4.660 ( -7.191 -0.368 0.043) 7.201 4.802 ( -8.153 -4.056 -5.305) 10.539 5.281 ( 4.343 -10.502 -0.562) 11.378 5.749 ( -10.506 3.593 4.731) 12.070 6.266 ( 8.016 19.099 4.215) 21.137 6.762 ( 8.600 -6.997 1.674) 11.213 8.691 ( 1.453 4.854 0.374) 5.081 8.993 ( 0.755 -4.865 1.386) 5.115 9.721 ( 0.180 -6.725 3.592) 7.626 10.674 ( -1.022 0.788 -1.942) 2.332 10.867 ( 5.150 5.145 -2.223) 7.611 11.162 ( -6.069 2.140 1.858) 6.698 11.305 ( -8.030 -1.633 3.297) 8.833 11.882 ( 3.672 -7.465 -6.602) 10.621 13.212 ( -10.030 4.339 -1.642) 11.051 13.980 ( 9.803 -6.820 1.037) 11.987 14.806 ( 6.776 13.756 2.530) 15.542 15.314 ( -2.434 -2.373 6.974) 7.758 16.005 ( 6.432 15.008 1.736) 16.420 16.999 ( -12.322 3.722 16.175) 20.672 17.605 ( 1.088 0.161 5.097) 5.215 18.162 ( -0.473 -6.932 -6.288) 9.371 18.797 ( 9.196 -11.109 -14.723) 20.610 20.108 ( -1.968 -0.296 -3.140) 3.718 20.147 ( 0.722 -0.894 -2.344) 2.610 20.666 ( -4.201 -1.430 0.035) 4.438 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -3.901 8.084 13.296) 16.043 3.364 ( -0.780 3.149 3.145) 4.518 3.560 ( 6.807 13.573 3.942) 15.688 3.968 ( 1.924 0.445 1.534) 2.501 4.405 ( -12.402 -4.834 -4.545) 14.066 4.786 ( 4.796 -4.087 2.857) 6.919 5.210 ( 2.450 -12.597 -2.919) 13.161 5.647 ( -10.191 8.682 2.291) 13.583 6.500 ( -0.193 3.215 -7.347) 8.022 6.949 ( 14.876 10.167 9.702) 20.464 8.726 ( -0.736 -0.010 -0.838) 1.116 9.010 ( 6.808 -5.316 0.283) 8.642 9.694 ( -0.020 -3.528 3.956) 5.300 10.676 ( -0.560 4.659 -0.865) 4.772 10.841 ( -5.544 -4.139 -4.206) 8.097 11.065 ( -10.218 3.417 5.684) 12.182 11.237 ( -2.480 -1.796 1.925) 3.617 11.923 ( 10.735 -1.657 -5.941) 12.381 13.087 ( -8.207 5.012 -3.507) 10.236 14.088 ( 12.916 -11.518 1.788) 17.398 15.032 ( 1.153 12.030 3.472) 12.574 15.283 ( -3.520 -2.254 7.727) 8.785 16.202 ( -0.002 14.690 -1.126) 14.733 16.905 ( -13.579 3.469 14.791) 20.377 17.650 ( -0.281 2.053 3.818) 4.344 18.009 ( -4.697 -6.748 -5.511) 9.898 18.822 ( 15.751 -11.982 -12.490) 23.402 20.055 ( -1.959 0.912 -3.518) 4.129 20.146 ( 1.705 -1.350 -1.419) 2.597 20.599 ( -2.801 -0.290 0.907) 2.959 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -4.274 5.618 10.160) 12.372 3.422 ( 2.111 2.372 1.754) 3.628 3.811 ( 7.871 6.008 4.941) 11.067 3.983 ( -0.177 0.349 -2.451) 2.482 4.190 ( -9.229 3.503 0.476) 9.883 4.820 ( 1.117 -4.024 3.894) 5.710 5.101 ( 0.979 -10.483 -3.940) 11.241 5.628 ( -1.739 6.153 0.667) 6.429 6.303 ( -10.157 -9.874 -7.054) 15.825 7.471 ( 20.622 18.645 6.029) 28.447 8.668 ( -2.543 -3.621 -2.336) 5.003 9.062 ( 5.354 -7.452 -1.432) 9.287 9.737 ( 3.513 2.470 5.636) 7.086 10.621 ( -9.257 -4.149 -4.312) 11.022 10.726 ( -1.819 3.091 0.354) 3.604 10.970 ( -8.907 4.834 6.227) 11.894 11.163 ( -3.027 -4.374 -0.882) 5.391 12.099 ( 12.845 1.162 -3.764) 13.435 12.998 ( -4.977 3.721 -2.921) 6.866 14.223 ( 13.164 -7.657 1.615) 15.314 15.028 ( -11.423 -0.361 4.952) 12.455 15.288 ( -0.740 3.340 2.121) 4.026 16.304 ( 0.045 8.218 0.619) 8.241 16.797 ( -12.833 3.288 11.074) 17.266 17.691 ( -1.010 6.482 0.875) 6.618 17.817 ( -8.079 -4.773 -4.496) 10.405 18.921 ( 17.257 -12.387 -7.998) 22.698 20.024 ( -0.563 1.448 -3.406) 3.743 20.162 ( 2.174 -1.035 -0.087) 2.409 20.579 ( -1.193 1.237 1.369) 2.197 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -7.299 2.376 4.926) 9.121 3.476 ( 1.779 -1.206 2.593) 3.367 3.889 ( -2.316 -1.351 0.086) 2.682 4.040 ( 3.525 6.816 0.764) 7.712 4.181 ( 0.942 4.599 0.873) 4.775 4.805 ( -3.561 2.061 1.723) 4.461 5.034 ( 3.072 -4.531 -1.597) 5.702 5.688 ( 3.645 -0.764 0.431) 3.749 5.976 ( -10.418 -9.016 -5.202) 14.727 7.994 ( 20.343 10.814 3.302) 23.274 8.546 ( -5.189 -4.126 -4.093) 7.792 9.004 ( -2.885 -7.793 -0.533) 8.327 9.920 ( 7.292 7.451 5.021) 11.572 10.396 ( -8.345 -4.856 -3.213) 10.176 10.669 ( -8.766 2.498 2.853) 9.551 10.950 ( -1.201 0.421 -0.620) 1.416 11.084 ( -1.084 -0.509 0.488) 1.293 12.306 ( 11.214 2.626 -1.344) 11.596 12.961 ( -1.580 2.460 -1.275) 3.190 14.386 ( 10.359 -2.390 0.968) 10.675 14.778 ( -15.760 -4.949 1.472) 16.584 15.290 ( -3.339 2.111 0.162) 3.954 16.386 ( 5.573 -2.900 2.121) 6.631 16.662 ( -14.349 5.114 6.495) 16.560 17.588 ( -10.438 -0.885 -8.333) 13.386 17.774 ( 0.009 8.222 4.272) 9.265 19.054 ( 16.126 -11.197 -3.256) 19.901 20.020 ( 0.730 1.473 -3.278) 3.667 20.198 ( 2.540 -0.460 1.410) 2.941 20.589 ( -0.871 2.428 1.004) 2.768 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -10.830 0.551 -0.776) 10.872 3.498 ( -0.627 -1.031 5.450) 5.582 3.815 ( -4.273 -0.548 -1.469) 4.551 4.118 ( 3.011 -5.022 -3.366) 6.754 4.260 ( 1.978 7.487 -0.455) 7.757 4.748 ( -7.716 2.947 0.138) 8.261 5.128 ( 7.810 4.412 1.925) 9.174 5.623 ( -5.600 -3.463 -1.051) 6.667 5.896 ( 8.267 -2.624 -0.288) 8.679 8.328 ( -3.162 -7.486 3.985) 9.051 8.414 ( 10.182 3.273 -4.904) 11.766 8.822 ( -10.384 -4.389 1.331) 11.351 10.078 ( -6.286 10.602 -2.190) 12.518 10.288 ( 6.281 -5.218 3.243) 8.787 10.567 ( -5.598 0.361 1.876) 5.915 10.904 ( 1.226 -3.043 -5.315) 6.245 11.129 ( 2.233 3.059 1.558) 4.095 12.498 ( 7.372 4.425 0.782) 8.634 12.972 ( 1.000 1.545 -0.165) 1.848 14.427 ( -8.250 -7.758 0.711) 11.347 14.558 ( -0.442 2.012 0.011) 2.060 15.231 ( -4.511 1.464 -1.946) 5.127 16.357 ( -5.979 -12.763 3.077) 14.426 16.596 ( -0.243 9.266 0.071) 9.270 17.360 ( -10.453 -1.678 -3.696) 11.214 17.895 ( 1.898 8.745 1.515) 9.076 19.201 ( 13.578 -8.457 1.033) 16.030 20.035 ( 1.417 1.608 -2.827) 3.548 20.251 ( 2.598 -0.302 2.495) 3.615 20.597 ( -1.679 2.706 -0.440) 3.215 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -14.776 2.571 -2.866) 15.269 3.489 ( -3.922 0.510 4.028) 5.645 3.757 ( -0.200 -0.961 0.360) 1.045 3.962 ( -5.974 -13.424 -7.808) 16.639 4.402 ( 4.105 9.743 0.769) 10.600 4.613 ( -5.887 -2.503 -2.749) 6.963 5.343 ( 7.032 9.031 -0.897) 11.481 5.581 ( -2.372 6.184 5.929) 8.890 6.063 ( 14.741 -4.438 0.294) 15.397 7.966 ( -30.600 -0.798 0.846) 30.623 8.646 ( 16.788 -16.815 -0.290) 23.763 8.705 ( -1.475 6.707 5.258) 8.649 9.936 ( -14.079 5.992 -3.287) 15.650 10.426 ( 3.711 0.776 1.556) 4.098 10.561 ( 7.073 -2.083 1.635) 7.552 10.891 ( 4.780 -2.089 -8.131) 9.661 11.198 ( 1.818 1.981 0.535) 2.741 12.612 ( -0.734 4.118 2.303) 4.775 13.030 ( 4.165 2.717 -0.445) 4.993 14.219 ( -6.293 -7.129 3.425) 10.108 14.591 ( 0.700 0.744 0.285) 1.060 15.161 ( -3.712 3.263 -5.721) 7.560 16.072 ( -16.498 -6.870 2.273) 18.015 16.725 ( 6.547 3.998 -4.740) 9.017 17.189 ( -5.016 -3.860 2.465) 6.792 18.002 ( 3.327 3.732 -1.927) 5.359 19.366 ( 11.193 -3.555 5.475) 12.958 20.065 ( 1.670 2.183 -2.071) 3.441 20.300 ( 1.812 -0.983 3.025) 3.660 20.573 ( -2.753 1.897 -3.102) 4.561 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -19.056 6.379 -0.620) 20.105 3.427 ( -7.015 0.894 0.451) 7.086 3.614 ( -16.005 -6.237 -4.744) 17.820 3.806 ( 8.182 -4.993 0.347) 9.591 4.502 ( 5.114 -10.246 -1.023) 11.497 4.603 ( 4.270 12.926 -2.470) 13.835 5.465 ( -1.217 9.354 -2.014) 9.646 5.693 ( 1.041 4.911 8.240) 9.649 6.278 ( 14.210 -3.300 0.092) 14.588 7.382 ( -39.883 3.745 3.762) 40.234 8.710 ( 6.281 -1.716 1.332) 6.646 8.873 ( 11.108 -7.449 6.260) 14.767 9.743 ( -10.867 3.019 -1.485) 11.376 10.437 ( -1.207 1.532 -2.257) 2.983 10.727 ( 10.265 -2.315 3.274) 11.020 10.897 ( 4.129 -1.070 -12.581) 13.285 11.234 ( 2.993 -1.432 -0.538) 3.361 12.603 ( -6.081 4.264 5.083) 9.000 13.141 ( 4.094 5.682 -2.172) 7.333 14.115 ( -1.760 -8.767 6.607) 11.118 14.624 ( 3.822 -1.366 0.257) 4.067 15.100 ( -2.831 4.277 -7.849) 9.376 15.738 ( -19.940 -0.960 2.988) 20.185 16.760 ( -2.385 2.898 -6.223) 7.267 17.191 ( 6.938 -5.204 5.900) 10.489 18.044 ( 4.757 -3.796 -6.300) 8.760 19.586 ( 10.350 2.763 9.699) 14.451 20.105 ( 1.529 2.888 -1.679) 3.674 20.320 ( 0.021 -2.267 3.268) 3.978 20.502 ( -3.417 0.240 -6.704) 7.528 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -19.589 10.939 6.809) 23.447 3.125 ( -23.680 0.401 -4.173) 24.048 3.442 ( -1.992 -0.739 -1.791) 2.779 3.936 ( 11.567 -3.814 1.555) 12.279 4.529 ( 10.278 -9.256 -0.711) 13.850 4.806 ( 7.053 10.472 -1.620) 12.729 5.495 ( -5.841 8.414 2.751) 10.605 5.709 ( -8.500 1.232 3.745) 9.369 6.430 ( 5.399 -2.712 1.464) 6.217 6.854 ( -28.923 7.169 4.092) 30.078 8.830 ( 4.435 4.081 2.545) 6.543 8.942 ( 0.728 -7.257 4.234) 8.433 9.676 ( 2.968 -1.687 2.582) 4.281 10.409 ( -1.818 1.979 -3.540) 4.444 10.754 ( -7.068 1.989 -9.101) 11.693 10.936 ( 12.118 -5.812 -1.660) 13.542 11.300 ( 8.956 -3.513 -2.079) 9.842 12.586 ( -6.350 5.708 7.246) 11.198 13.242 ( 1.132 10.730 -2.551) 11.087 14.034 ( -0.367 -14.263 6.486) 15.673 14.642 ( -0.374 -3.233 -3.956) 5.123 15.100 ( 4.492 2.656 -3.166) 6.104 15.451 ( -18.972 5.419 4.306) 20.195 16.689 ( -4.642 2.784 -2.201) 5.843 17.321 ( 8.866 -4.544 4.697) 11.014 18.024 ( 6.443 -8.841 -9.541) 14.515 19.866 ( 9.046 5.501 10.775) 15.106 20.150 ( 1.811 4.061 -2.207) 4.964 20.295 ( -1.901 -3.418 2.977) 4.915 20.388 ( -3.312 -1.328 -9.132) 9.805 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -9.463 11.970 17.246) 23.028 2.991 ( -12.666 17.066 -1.342) 21.295 3.317 ( 0.653 -3.496 -0.816) 3.649 4.042 ( 10.601 -3.802 -3.789) 11.882 4.532 ( 10.988 -4.429 4.682) 12.738 5.076 ( 8.236 1.343 -4.410) 9.438 5.506 ( -12.782 -6.289 5.712) 15.348 5.686 ( -3.131 1.011 8.158) 8.797 6.387 ( 2.239 -7.428 -6.608) 10.191 6.816 ( -25.759 22.872 3.837) 34.661 8.690 ( -1.889 -9.008 -1.407) 9.311 9.110 ( 1.887 5.345 1.715) 5.923 9.789 ( 6.168 -3.001 7.225) 9.962 10.418 ( 1.277 2.561 -1.026) 3.040 10.559 ( -5.198 5.288 -7.132) 10.288 10.908 ( 8.888 -8.001 -0.278) 11.962 11.337 ( 9.791 -3.136 -2.075) 10.488 12.660 ( -8.687 2.204 1.476) 9.082 13.553 ( -2.468 -15.379 -2.481) 15.772 13.839 ( 7.052 20.670 3.845) 22.176 14.374 ( -6.303 -3.090 -2.040) 7.310 15.183 ( 4.497 -7.536 8.323) 12.095 15.513 ( -11.755 11.747 2.388) 16.789 16.834 ( 1.771 6.744 1.939) 7.238 17.387 ( 8.591 -7.393 5.239) 12.486 17.779 ( 7.296 -1.503 -5.432) 9.220 19.713 ( -11.875 -7.862 -11.395) 18.239 20.202 ( -0.955 -2.290 -3.066) 3.944 20.256 ( -1.195 0.881 0.303) 1.515 20.517 ( 9.276 4.762 4.644) 11.414 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -3.145 16.010 17.466) 23.902 3.018 ( -7.009 19.384 3.087) 20.842 3.301 ( 0.081 -0.554 0.602) 0.822 4.071 ( 2.022 -5.939 -7.941) 10.121 4.707 ( 9.850 -4.708 6.809) 12.867 5.180 ( 7.823 -1.620 -6.693) 10.422 5.284 ( -11.038 -4.385 5.467) 13.075 5.682 ( -1.756 -4.783 9.055) 10.391 6.290 ( 3.369 -9.093 -7.124) 12.033 6.695 ( -22.003 27.587 4.811) 35.614 8.591 ( 0.685 -5.894 -0.972) 6.013 9.158 ( -3.198 3.748 2.888) 5.712 9.844 ( -0.317 -4.797 5.897) 7.608 10.493 ( 5.972 1.961 -5.018) 8.043 10.551 ( -0.282 7.605 1.247) 7.712 10.982 ( 9.581 -6.126 -2.576) 11.660 11.425 ( 7.548 -6.412 -2.940) 10.332 12.481 ( -15.228 0.170 0.494) 15.237 13.389 ( 0.227 -10.066 -1.408) 10.167 14.184 ( 7.628 15.892 3.493) 17.970 14.226 ( -8.515 2.563 -1.337) 8.992 15.230 ( 4.731 -5.081 6.619) 9.593 15.515 ( -4.052 11.271 5.621) 13.230 16.975 ( 5.415 4.771 4.556) 8.535 17.491 ( 6.850 -6.382 8.117) 12.391 17.871 ( 7.350 0.782 -4.907) 8.872 19.332 ( -14.155 -8.950 -14.189) 21.950 20.148 ( -0.602 -2.604 -2.313) 3.535 20.238 ( -1.813 0.928 -1.065) 2.298 20.691 ( 5.456 1.160 1.496) 5.775 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 0.066 15.726 18.031) 23.925 3.139 ( -0.371 15.707 1.193) 15.757 3.338 ( 1.298 6.751 2.683) 7.379 3.929 ( -5.181 -6.402 -5.241) 9.762 4.799 ( 3.473 -7.863 3.780) 9.391 5.087 ( -9.130 -6.492 -2.355) 11.448 5.198 ( 2.838 -6.091 -4.341) 8.000 5.698 ( 4.019 -1.762 6.043) 7.468 6.297 ( 9.818 -7.590 -0.222) 12.412 6.651 ( -18.906 28.774 3.106) 34.569 8.597 ( 4.326 -1.874 0.759) 4.775 9.111 ( -5.892 -1.831 3.504) 7.095 9.787 ( -4.292 -2.880 3.969) 6.517 10.575 ( 6.739 -0.990 -5.270) 8.612 10.678 ( 3.312 8.268 3.783) 9.677 11.077 ( 8.391 -3.366 -3.339) 9.638 11.438 ( 4.741 -6.913 -2.277) 8.686 12.176 ( -18.979 -1.407 -1.469) 19.088 13.344 ( 3.284 -7.411 1.646) 8.271 14.041 ( -12.725 2.149 -1.080) 12.950 14.510 ( 10.177 14.145 1.966) 17.536 15.315 ( 3.398 -1.197 4.293) 5.604 15.687 ( 6.216 13.706 6.580) 16.426 17.137 ( 4.946 1.892 8.131) 9.704 17.583 ( 2.639 -4.789 13.316) 14.395 17.968 ( 7.603 0.715 -7.898) 10.986 18.920 ( -13.360 -9.056 -15.433) 22.331 20.107 ( 0.240 -2.460 -1.945) 3.145 20.200 ( -2.312 0.583 -2.209) 3.250 20.740 ( 0.705 -1.559 -0.657) 1.833 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -5.113 7.947 9.633) 13.494 3.288 ( 4.080 5.695 0.333) 7.013 3.559 ( 0.543 19.541 6.844) 20.712 3.797 ( 1.924 -4.562 1.397) 5.144 4.738 ( -1.249 -8.843 2.160) 9.189 4.808 ( -10.880 -7.753 -8.159) 15.654 5.143 ( 1.337 -8.720 -1.948) 9.035 5.816 ( 5.038 0.308 2.615) 5.684 6.459 ( 14.903 -4.545 4.487) 16.214 6.648 ( -15.013 27.312 -0.224) 31.167 8.689 ( 4.944 1.965 1.778) 5.609 8.975 ( -5.685 -9.204 3.226) 11.289 9.723 ( -3.195 -0.499 2.051) 3.829 10.629 ( 4.408 -1.787 -1.759) 5.072 10.844 ( 4.021 7.626 0.638) 8.645 11.109 ( 3.144 -6.741 -1.489) 7.585 11.474 ( 3.801 1.415 0.251) 4.064 11.844 ( -15.174 -3.108 -3.427) 15.864 13.337 ( -0.134 -3.322 1.701) 3.735 13.855 ( -6.041 -3.971 -1.875) 7.468 14.834 ( 9.503 15.455 2.357) 18.296 15.356 ( -0.142 -2.177 6.602) 6.953 16.008 ( 9.896 15.629 0.791) 18.516 17.254 ( -0.583 0.713 12.809) 12.842 17.649 ( -0.698 -2.425 15.765) 15.966 18.022 ( 4.817 -1.417 -10.512) 11.650 18.565 ( -5.531 -9.273 -16.142) 19.420 20.085 ( 0.862 -2.087 -1.300) 2.605 20.149 ( -2.407 0.372 -3.010) 3.872 20.697 ( -2.193 -2.301 -1.166) 3.386 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( -2.945 4.912 3.968) 6.968 3.390 ( 2.183 2.142 1.765) 3.532 3.641 ( -2.045 6.199 4.295) 7.814 3.972 ( 5.104 5.863 5.934) 9.779 4.531 ( -9.818 -1.780 -6.818) 12.085 4.682 ( 2.876 -6.143 3.014) 7.422 5.044 ( 0.673 -11.669 -3.048) 12.080 5.853 ( -3.360 2.325 1.417) 4.325 6.563 ( -3.825 -0.464 -3.963) 5.527 6.838 ( 11.561 18.277 5.220) 22.248 8.761 ( -3.088 -1.448 3.350) 4.780 8.853 ( 4.366 -6.486 -0.957) 7.877 9.694 ( -0.904 -0.762 1.722) 2.089 10.685 ( 3.052 1.768 0.203) 3.533 10.862 ( -4.202 -2.544 -3.383) 5.964 11.134 ( 3.766 -0.626 3.752) 5.353 11.469 ( -15.551 5.135 4.375) 16.951 11.688 ( 9.418 -3.461 -7.203) 12.352 13.272 ( -8.035 3.579 -1.201) 8.878 13.787 ( 7.612 -10.312 -0.069) 12.818 15.119 ( 5.237 14.176 0.141) 15.113 15.353 ( -2.195 -4.379 9.149) 10.378 16.262 ( 4.859 11.014 -2.844) 12.369 17.269 ( -10.274 4.373 13.321) 17.382 17.714 ( -0.876 1.280 12.412) 12.509 17.959 ( -1.082 -4.717 -7.577) 8.990 18.406 ( 9.073 -10.161 -15.561) 20.681 20.073 ( -0.705 -0.361 -1.403) 1.611 20.104 ( -0.037 -0.608 -2.071) 2.159 20.634 ( -2.113 -1.302 -0.407) 2.515 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( -0.402 4.165 3.749) 5.618 3.416 ( -0.300 -1.351 1.345) 1.930 3.745 ( 5.725 2.527 3.627) 7.234 4.018 ( -3.763 0.868 -0.306) 3.874 4.395 ( -6.887 6.798 -0.793) 9.709 4.743 ( 4.787 -3.579 4.192) 7.301 4.940 ( 3.249 -9.351 -3.153) 10.390 5.796 ( -7.248 4.804 0.571) 8.715 6.379 ( -12.053 -2.880 -5.449) 13.537 7.275 ( 20.487 7.438 3.851) 22.133 8.683 ( -2.893 -3.033 1.866) 4.588 8.898 ( 5.029 -1.868 -5.437) 7.638 9.719 ( 3.134 -0.350 4.373) 5.392 10.692 ( -7.116 -4.305 -3.246) 8.928 10.771 ( 1.275 4.875 0.994) 5.137 11.165 ( -2.072 -2.661 -0.452) 3.403 11.262 ( -14.280 3.612 6.503) 16.102 11.858 ( 14.284 0.365 -3.864) 14.802 13.153 ( -9.270 5.864 -2.519) 11.255 13.897 ( 15.350 -8.454 0.763) 17.541 15.210 ( -6.955 -0.999 4.793) 8.506 15.336 ( -0.189 3.230 0.049) 3.236 16.345 ( -0.250 0.750 0.441) 0.905 17.167 ( -15.608 9.180 5.382) 18.891 17.788 ( -1.704 9.058 -0.129) 9.218 17.848 ( -3.103 -6.764 2.954) 8.007 18.452 ( 17.539 -12.015 -9.234) 23.178 20.039 ( -1.652 1.117 -2.409) 3.128 20.116 ( 2.246 -0.970 0.561) 2.510 20.608 ( -0.585 0.493 0.697) 1.035 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( -5.663 3.460 3.688) 7.592 3.402 ( 3.664 -4.804 0.183) 6.045 3.887 ( 5.509 -1.558 5.098) 7.666 3.929 ( -1.839 -1.984 -7.883) 8.334 4.393 ( -5.269 11.862 2.320) 13.185 4.783 ( 4.121 -3.987 3.181) 6.558 4.959 ( 3.526 0.072 -0.228) 3.535 5.737 ( -4.958 3.954 0.113) 6.342 6.081 ( -14.462 -3.359 -4.686) 15.569 7.663 ( 22.625 -7.157 2.284) 23.840 8.601 ( -6.299 -0.303 -1.229) 6.425 8.937 ( 4.616 2.440 -6.957) 8.699 9.851 ( 8.516 0.087 6.205) 10.537 10.498 ( -9.470 -2.030 -3.282) 10.227 10.827 ( -3.120 5.061 1.908) 6.245 11.017 ( -6.370 -4.846 -2.472) 8.377 11.164 ( -7.996 3.637 5.576) 10.405 12.103 ( 15.100 1.585 -0.594) 15.195 13.065 ( -6.546 6.481 -1.912) 9.408 14.117 ( 16.923 -4.037 -0.165) 17.398 14.986 ( -14.698 -8.620 3.036) 17.308 15.353 ( -1.757 3.818 -3.441) 5.431 16.297 ( -0.769 -9.954 3.165) 10.473 17.017 ( -15.333 10.941 -0.221) 18.837 17.690 ( -7.994 1.483 -8.949) 12.091 17.883 ( -0.619 5.433 6.823) 8.744 18.632 ( 19.787 -10.213 -1.026) 22.291 20.019 ( -0.616 1.524 -1.826) 2.457 20.159 ( 2.739 -0.371 1.699) 3.245 20.625 ( 0.037 1.993 1.303) 2.381 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -10.321 0.766 0.185) 10.351 3.458 ( 5.073 -2.937 2.466) 6.360 3.767 ( -1.572 -9.116 -11.181) 14.512 3.987 ( 4.043 -4.391 3.105) 6.728 4.454 ( -4.810 12.867 4.214) 14.368 4.842 ( -1.506 2.655 0.147) 3.056 5.053 ( 7.339 3.925 1.731) 8.501 5.688 ( -3.490 0.854 -0.443) 3.620 5.865 ( -6.546 2.572 -1.439) 7.179 7.914 ( 22.566 -21.122 1.589) 30.950 8.465 ( -7.304 -0.165 -2.102) 7.602 8.989 ( -2.628 9.804 -5.603) 11.594 10.052 ( 12.144 -2.912 4.867) 13.403 10.314 ( -9.685 2.498 -3.051) 10.457 10.748 ( -11.122 2.336 1.311) 11.440 10.877 ( -3.575 -4.080 -0.966) 5.510 11.149 ( -0.947 3.802 2.130) 4.460 12.373 ( 13.373 3.425 1.787) 13.920 13.035 ( -3.815 6.495 -0.720) 7.567 14.339 ( 11.618 -2.055 -1.640) 11.912 14.654 ( -13.691 -8.613 0.411) 16.181 15.305 ( -4.349 1.466 -3.555) 5.805 16.193 ( 2.591 -15.934 0.399) 16.148 16.872 ( -13.792 10.972 -1.114) 17.659 17.497 ( -10.328 -0.527 -4.556) 11.301 17.956 ( 0.159 5.323 -0.169) 5.328 18.885 ( 17.711 -5.192 4.922) 19.102 20.026 ( 0.387 1.945 -0.966) 2.206 20.216 ( 2.884 -0.162 2.152) 3.602 20.647 ( -1.139 2.332 0.853) 2.732 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -10.894 2.679 -1.595) 11.331 3.512 ( 2.582 -2.972 1.752) 4.309 3.589 ( 2.096 -12.873 -11.406) 17.326 3.970 ( -2.764 -4.354 2.433) 5.702 4.508 ( -4.474 6.488 4.872) 9.265 4.742 ( -9.804 3.919 -3.573) 11.146 5.282 ( 9.834 8.422 -0.177) 12.949 5.733 ( 2.121 10.088 3.821) 10.994 5.845 ( 2.434 -0.896 -0.483) 2.638 8.027 ( 17.120 -28.933 2.562) 33.716 8.361 ( -4.708 4.096 -2.246) 6.632 8.946 ( -10.979 10.438 -0.372) 15.153 10.122 ( -3.224 -4.812 -4.454) 7.306 10.304 ( 6.687 4.987 3.166) 8.923 10.584 ( -8.490 0.520 -0.761) 8.540 10.806 ( -0.617 -2.501 -1.000) 2.764 11.196 ( 0.757 2.684 0.674) 2.868 12.609 ( 7.839 4.093 2.191) 9.110 13.054 ( -1.159 6.892 0.632) 7.018 14.296 ( -8.235 -6.858 2.048) 10.911 14.530 ( 3.710 -3.788 -2.644) 5.924 15.214 ( -4.102 2.305 -6.702) 8.189 16.083 ( 2.144 -14.673 -2.016) 14.965 16.780 ( -7.556 9.389 -0.727) 12.074 17.296 ( -9.817 -2.462 0.349) 10.127 17.973 ( 0.269 0.373 -5.266) 5.286 19.177 ( 14.680 0.784 8.965) 17.218 20.057 ( 1.113 2.513 -0.181) 2.755 20.271 ( 2.471 -0.584 2.060) 3.270 20.629 ( -3.398 1.240 -0.893) 3.726 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -12.355 6.728 -0.730) 14.087 3.446 ( 3.608 -9.847 -11.095) 15.267 3.518 ( 0.245 -6.577 2.278) 6.964 3.863 ( -6.419 -1.901 0.847) 6.748 4.423 ( -5.735 -5.562 0.873) 8.037 4.703 ( -3.035 12.302 -0.150) 12.672 5.499 ( 6.566 9.364 -3.634) 12.000 5.815 ( -3.923 2.665 8.431) 9.674 6.020 ( 14.056 4.845 -1.424) 14.936 7.884 ( -10.742 -15.291 3.089) 18.940 8.408 ( 9.572 -0.942 -1.800) 9.785 8.895 ( -4.748 5.672 6.088) 9.580 9.940 ( -10.229 -1.865 -4.730) 11.423 10.473 ( -0.622 3.022 0.763) 3.178 10.518 ( 8.694 -1.909 -1.106) 8.970 10.787 ( 1.616 -1.121 -3.378) 3.909 11.209 ( -0.804 -0.226 -0.764) 1.132 12.717 ( 0.053 2.791 2.804) 3.957 13.150 ( 2.360 9.636 0.721) 9.947 14.137 ( -5.616 -7.983 5.277) 11.096 14.516 ( 3.549 -5.544 -2.936) 7.208 15.140 ( -3.158 4.462 -9.711) 11.143 15.946 ( -5.040 -6.849 -0.530) 8.520 16.787 ( -0.927 6.498 -2.488) 7.019 17.153 ( -4.389 -4.259 5.515) 8.235 17.910 ( 0.418 -5.209 -8.583) 10.049 19.497 ( 12.581 5.576 10.985) 17.608 20.105 ( 1.325 3.040 0.148) 3.320 20.306 ( 1.289 -1.548 1.784) 2.691 20.542 ( -5.433 -0.859 -3.825) 6.699 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -14.234 10.440 4.452) 18.205 3.345 ( -1.551 -7.752 -7.764) 11.081 3.422 ( -5.222 -1.580 -1.632) 5.694 3.798 ( 1.849 -2.286 1.690) 3.391 4.338 ( 2.273 -5.555 0.745) 6.049 4.806 ( 2.448 9.079 -0.476) 9.416 5.619 ( -0.318 9.091 -3.408) 9.714 5.819 ( -1.783 -4.247 9.799) 10.828 6.263 ( 10.247 3.961 -2.787) 11.334 7.489 ( -28.169 1.486 3.406) 28.413 8.594 ( 16.045 -5.864 -0.399) 17.087 8.957 ( 0.388 3.008 7.565) 8.151 9.733 ( -7.913 -1.826 -2.240) 8.424 10.446 ( -2.352 1.965 -1.997) 3.658 10.685 ( 10.782 -2.984 -1.363) 11.270 10.775 ( -0.007 0.132 -4.923) 4.925 11.177 ( 0.687 -2.421 -1.201) 2.788 12.739 ( -2.456 2.738 4.133) 5.533 13.309 ( 3.079 13.291 -0.168) 13.644 13.974 ( -4.695 -13.863 3.908) 15.149 14.541 ( 4.748 -3.694 -1.381) 6.172 15.078 ( -1.572 3.027 -6.876) 7.676 15.788 ( -11.110 1.464 2.096) 11.400 16.792 ( -3.953 5.984 -2.835) 7.712 17.163 ( 6.093 -5.733 7.383) 11.158 17.806 ( 2.175 -7.854 -9.867) 12.798 19.826 ( 10.793 7.142 10.422) 16.617 20.154 ( 0.818 3.198 -0.660) 3.366 20.303 ( -0.547 -2.802 2.093) 3.539 20.394 ( -5.660 -2.521 -7.076) 9.406 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -0.548 0.816 5.551) 5.638 3.190 ( -1.202 2.476 3.720) 4.628 3.369 ( -5.549 9.831 -0.732) 11.313 3.853 ( 7.709 -0.842 -0.626) 7.780 4.365 ( 7.684 0.187 1.259) 7.789 4.909 ( 5.189 -5.595 -2.518) 8.036 5.613 ( -7.217 -6.994 3.388) 10.606 5.805 ( -2.622 2.231 2.746) 4.403 6.237 ( -0.785 -9.191 -4.953) 10.470 7.481 ( -17.205 23.172 0.927) 28.876 8.541 ( 5.435 -11.117 -0.576) 12.388 9.043 ( 3.746 -1.833 -4.143) 5.878 9.779 ( 4.327 5.044 6.620) 9.381 10.454 ( -1.977 1.448 2.058) 3.200 10.579 ( -1.678 -2.033 -5.478) 6.079 10.766 ( 1.911 -2.018 1.426) 3.124 11.194 ( 4.639 0.312 0.013) 4.649 12.767 ( -2.510 0.201 -1.048) 2.727 13.412 ( -1.507 -14.982 -2.145) 15.210 13.934 ( 6.019 16.558 1.189) 17.658 14.434 ( -5.256 -0.295 -0.860) 5.334 15.112 ( 3.637 -4.509 8.907) 10.625 15.799 ( -6.346 7.285 1.329) 9.753 16.857 ( 0.554 0.401 -0.736) 1.005 17.186 ( 7.081 -3.376 -2.103) 8.122 17.706 ( 2.962 4.028 4.924) 7.017 19.771 ( -11.711 -7.618 -10.583) 17.526 20.175 ( -0.574 -2.677 -1.824) 3.290 20.285 ( -0.746 1.578 -0.213) 1.759 20.442 ( 8.068 3.935 5.216) 10.382 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 2.459 3.734 6.249) 7.684 3.236 ( -2.458 6.323 8.453) 10.839 3.391 ( -4.423 10.778 0.582) 11.665 3.950 ( 4.741 0.912 -4.552) 6.636 4.541 ( 10.174 -0.028 2.412) 10.456 4.934 ( 9.134 -10.245 -3.476) 14.159 5.412 ( -9.786 -8.018 4.112) 13.303 5.770 ( -6.208 -0.734 5.876) 8.579 6.084 ( 2.228 -12.508 -8.814) 15.463 7.420 ( -23.041 32.508 1.810) 39.886 8.490 ( 2.430 -9.008 -1.016) 9.385 9.113 ( 8.271 -5.367 -0.584) 9.877 9.918 ( -1.037 6.455 7.151) 9.689 10.421 ( -1.083 -1.460 -2.699) 3.254 10.572 ( 4.504 0.179 0.914) 4.599 10.796 ( 4.385 -1.348 -1.946) 4.983 11.259 ( 4.302 -2.762 -1.349) 5.287 12.679 ( -8.061 -0.875 -0.802) 8.147 13.254 ( 0.547 -11.764 -2.452) 12.029 14.187 ( 7.725 10.754 -1.883) 13.375 14.375 ( -4.851 4.152 4.191) 7.638 15.175 ( 2.972 -4.393 9.355) 10.754 15.781 ( -8.112 12.814 3.229) 15.506 16.900 ( 6.131 -2.091 0.042) 6.477 17.298 ( 10.536 -2.939 -0.276) 10.942 17.834 ( 2.508 4.473 6.144) 8.003 19.408 ( -14.006 -7.511 -12.851) 20.438 20.121 ( -0.965 -2.928 -1.750) 3.545 20.273 ( -1.865 1.121 -0.966) 2.381 20.613 ( 6.202 1.201 2.177) 6.682 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 7.441 4.053 2.719) 8.899 3.336 ( -4.379 9.807 12.722) 16.649 3.429 ( -0.717 9.384 0.731) 9.440 3.956 ( -2.763 2.623 -4.813) 6.139 4.663 ( 5.191 -5.054 -0.297) 7.251 4.975 ( 9.265 -11.260 -0.760) 14.601 5.187 ( -10.320 -6.984 -0.670) 12.479 5.690 ( -1.979 -2.181 3.698) 4.727 6.023 ( 8.320 -10.023 -4.260) 13.705 7.360 ( -23.592 33.032 2.104) 40.646 8.486 ( 5.310 -3.956 0.509) 6.641 9.138 ( 0.803 -9.175 4.225) 10.133 9.934 ( -7.922 6.725 2.991) 10.813 10.410 ( 5.945 -4.404 -3.227) 8.072 10.705 ( 5.554 3.673 5.044) 8.353 10.875 ( 8.507 -0.513 -5.187) 9.977 11.269 ( 3.957 -5.791 -2.538) 7.459 12.454 ( -15.518 -2.131 -1.741) 15.760 13.188 ( 4.342 -9.341 -0.329) 10.306 14.273 ( -9.247 2.169 2.020) 9.711 14.466 ( 9.100 10.515 1.278) 13.964 15.265 ( 4.799 -0.441 5.535) 7.339 15.845 ( -2.964 16.155 4.280) 16.973 17.016 ( 10.416 -5.292 2.830) 12.021 17.465 ( 10.826 -2.717 3.890) 11.820 17.930 ( 0.673 3.125 4.126) 5.220 19.013 ( -16.115 -5.416 -13.419) 21.658 20.073 ( -0.363 -2.605 -1.300) 2.934 20.235 ( -2.576 0.514 -1.824) 3.198 20.692 ( 2.718 -1.339 -0.293) 3.044 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 6.075 3.559 0.845) 7.091 3.331 ( -6.171 3.148 1.029) 7.004 3.661 ( 7.917 12.746 10.539) 18.336 3.869 ( -7.832 3.260 -1.453) 8.606 4.628 ( 1.310 -9.581 -2.077) 9.891 4.886 ( -8.257 -10.073 -2.174) 13.205 5.024 ( 0.989 -4.337 -3.340) 5.563 5.742 ( 4.977 1.320 1.633) 5.402 6.119 ( 15.408 -8.845 0.904) 17.790 7.285 ( -22.578 29.284 0.904) 36.988 8.589 ( 7.977 -0.680 1.908) 8.230 9.016 ( -6.244 -11.748 6.563) 14.836 9.848 ( -8.589 4.809 -1.545) 9.964 10.489 ( 8.323 -2.829 -0.329) 8.797 10.866 ( 4.218 6.660 3.350) 8.566 10.958 ( 5.972 -4.741 -3.449) 8.369 11.297 ( 8.897 -4.155 -3.888) 10.561 12.135 ( -18.590 -1.128 -1.353) 18.673 13.198 ( 6.702 -8.832 1.350) 11.169 14.063 ( -16.534 1.132 0.714) 16.588 14.788 ( 13.509 12.546 0.845) 18.455 15.353 ( 2.481 -1.545 4.838) 5.653 16.042 ( 4.373 16.949 0.518) 17.512 17.166 ( 11.458 -7.679 6.259) 15.146 17.638 ( 8.650 -4.242 9.828) 13.763 17.965 ( -0.608 2.370 -1.256) 2.750 18.615 ( -17.129 -2.185 -12.868) 21.535 20.046 ( 0.525 -2.121 -0.484) 2.238 20.180 ( -2.806 0.223 -2.371) 3.680 20.685 ( -0.242 -2.421 -1.404) 2.809 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -5.014 1.480 -1.001) 5.323 3.361 ( 4.567 2.585 0.666) 5.290 3.768 ( -6.173 1.523 1.364) 6.502 3.957 ( 7.848 6.033 6.039) 11.595 4.539 ( 0.038 -6.769 -2.550) 7.233 4.693 ( -5.358 0.220 -0.489) 5.385 4.941 ( -2.280 -6.783 -3.497) 7.965 5.842 ( 4.569 0.050 0.268) 4.577 6.350 ( 17.079 -5.429 2.793) 18.137 7.178 ( -18.470 20.181 -0.935) 27.373 8.717 ( 6.094 -2.164 -0.657) 6.500 8.840 ( -6.376 -6.504 7.525) 11.815 9.746 ( -5.192 1.887 -2.796) 6.192 10.614 ( 7.094 0.690 1.490) 7.281 10.883 ( -2.947 -3.366 -2.668) 5.209 11.066 ( 7.161 2.415 3.888) 8.499 11.420 ( 12.030 -2.690 -6.676) 14.019 11.821 ( -18.092 0.694 1.505) 18.168 13.254 ( 7.581 -6.747 1.702) 10.290 13.806 ( -14.303 1.645 -0.834) 14.422 15.115 ( 10.183 12.274 -2.463) 16.137 15.377 ( -0.125 -4.795 7.205) 8.655 16.262 ( 4.870 11.329 -3.279) 12.760 17.319 ( 9.960 -7.227 7.951) 14.651 17.779 ( 5.332 -6.319 13.936) 16.204 17.947 ( -1.819 3.863 -7.448) 8.585 18.269 ( -13.706 0.773 -10.730) 17.424 20.045 ( 1.372 -1.525 0.569) 2.129 20.122 ( -2.610 0.369 -2.304) 3.501 20.641 ( -1.123 -1.780 -1.133) 2.390 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 0.000 0.000 0.000) 0.000 3.422 ( -0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.493 ( -0.000 0.000 0.000) 0.000 4.695 ( 0.000 -0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 5.883 ( -0.000 0.000 0.000) 0.000 6.507 ( -0.000 0.000 0.000) 0.000 7.097 ( 0.000 0.000 0.000) 0.000 8.705 ( -0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 9.700 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.781 ( -0.000 0.000 0.000) 0.000 11.170 ( 0.000 0.000 0.000) 0.000 11.539 ( -0.000 0.000 0.000) 0.000 11.611 ( 0.000 0.000 -0.000) 0.000 13.306 ( 0.000 0.000 0.000) 0.000 13.672 ( -0.000 0.000 0.000) 0.000 15.280 ( -0.000 -0.000 0.000) 0.000 15.354 ( 0.000 0.000 -0.000) 0.000 16.350 ( -0.000 0.000 0.000) 0.000 17.410 ( 0.000 0.000 0.000) 0.000 17.841 ( -0.000 0.000 -0.000) 0.000 17.916 ( 0.000 -0.000 0.000) 0.000 18.109 ( -0.000 0.000 0.000) 0.000 20.061 ( 0.000 0.000 0.000) 0.000 20.083 ( -0.000 0.000 0.000) 0.000 20.617 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 -0.000 21.198) 21.198 0.380 ( 0.000 -0.000 21.198) 21.198 1.171 ( 0.000 -0.000 64.154) 64.154 3.827 ( -0.000 0.000 -1.158) 1.158 5.192 ( -0.000 0.000 -14.733) 14.733 5.192 ( -0.000 0.000 -14.733) 14.733 6.059 ( 0.000 -0.000 12.208) 12.208 6.059 ( 0.000 -0.000 12.208) 12.208 6.108 ( -0.000 0.000 -3.357) 3.357 7.840 ( -0.000 0.000 -3.660) 3.660 8.659 ( -0.000 0.000 -1.115) 1.115 8.659 ( -0.000 0.000 -1.115) 1.115 9.968 ( 0.000 -0.000 3.748) 3.748 9.968 ( 0.000 -0.000 3.748) 3.748 10.396 ( 0.000 -0.000 0.975) 0.975 10.396 ( 0.000 -0.000 0.975) 0.975 12.607 ( -0.000 0.000 -2.336) 2.336 12.729 ( -0.000 0.000 -0.450) 0.450 12.987 ( -0.000 0.000 -0.941) 0.941 12.987 ( -0.000 0.000 -0.941) 0.941 14.019 ( 0.000 -0.000 1.621) 1.621 14.019 ( 0.000 -0.000 1.621) 1.621 16.496 ( 0.000 -0.000 4.636) 4.636 16.496 ( 0.000 -0.000 4.636) 4.636 17.199 ( 0.000 -0.000 0.395) 0.395 18.576 ( 0.000 -0.000 0.078) 0.078 20.181 ( -0.000 0.000 -2.826) 2.826 20.181 ( -0.000 0.000 -2.826) 2.826 20.211 ( -0.000 0.000 -3.050) 3.050 20.332 ( 0.000 -0.000 3.495) 3.495 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 24.880 22.352 7.253) 34.223 1.209 ( 21.489 9.114 30.413) 38.338 1.903 ( 41.014 22.398 38.732) 60.696 3.737 ( -5.971 -3.138 -1.805) 6.983 4.960 ( -2.391 -7.653 -16.700) 18.525 5.205 ( 0.967 -1.682 -11.866) 12.023 5.719 ( -20.143 -7.821 7.585) 22.901 6.168 ( -0.084 -11.241 18.025) 21.243 6.341 ( 0.758 15.019 6.574) 16.412 6.621 ( -39.999 -26.547 33.165) 58.348 8.636 ( -1.245 3.984 -2.337) 4.784 8.753 ( 3.045 2.230 3.228) 4.966 9.925 ( 1.754 -1.535 -0.341) 2.356 10.364 ( -2.926 2.290 -0.046) 3.716 10.404 ( 0.435 -2.180 1.801) 2.861 10.877 ( 35.135 17.421 -17.865) 43.095 12.224 ( -21.220 -14.163 5.763) 26.155 12.553 ( -5.813 -2.933 -0.821) 6.562 13.031 ( 8.243 -3.740 -0.670) 9.077 13.272 ( 14.196 13.509 2.620) 19.770 13.963 ( -6.469 8.161 -2.001) 10.605 14.762 ( 33.837 13.507 -22.865) 43.013 16.321 ( -17.828 -5.345 6.506) 19.717 16.537 ( 3.443 -4.201 5.877) 8.002 17.309 ( 7.206 4.661 1.295) 8.679 18.551 ( -3.430 -0.965 -3.149) 4.756 19.937 ( -12.705 6.048 -7.032) 15.730 20.172 ( 2.839 -3.124 -3.694) 5.609 20.244 ( 0.123 0.598 -1.543) 1.659 20.464 ( 7.271 -5.139 4.087) 9.797 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 26.614 22.581 3.134) 35.044 1.704 ( 11.464 2.105 37.922) 39.673 3.134 ( 45.537 26.792 16.601) 55.381 3.625 ( 2.209 0.457 -0.898) 2.428 4.721 ( -6.099 -11.219 -10.874) 16.772 5.068 ( 0.111 -11.859 -8.760) 14.744 5.374 ( -19.155 -4.499 8.156) 21.300 6.037 ( -18.150 -3.986 28.441) 33.974 6.335 ( 5.953 -9.692 0.018) 11.374 6.548 ( -2.293 12.600 4.238) 13.490 8.670 ( 1.956 4.519 -1.811) 5.246 8.837 ( 1.070 2.637 5.756) 6.421 9.995 ( 6.931 1.824 -2.106) 7.471 10.334 ( -6.964 5.675 1.431) 9.097 10.370 ( 2.234 -8.697 0.141) 8.981 11.319 ( 15.299 6.833 -10.114) 19.572 11.822 ( -15.187 -12.123 3.233) 19.700 12.421 ( -4.740 -1.758 -0.982) 5.150 13.153 ( 13.133 -9.100 1.538) 16.052 13.715 ( 17.502 18.607 1.635) 25.598 13.930 ( -7.898 13.418 -3.621) 15.985 15.067 ( 11.052 -0.070 -8.482) 13.932 15.969 ( -20.799 -6.787 8.178) 23.356 16.597 ( 4.528 -5.025 6.071) 9.089 17.474 ( 5.029 3.652 3.101) 6.946 18.394 ( -9.470 -3.161 -6.017) 11.657 19.797 ( -7.168 10.466 -11.510) 17.129 20.170 ( 3.384 -2.848 -4.634) 6.406 20.243 ( -0.080 1.026 -1.446) 1.775 20.513 ( 3.967 -9.206 5.791) 11.577 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 13.749 10.146 22.096) 27.932 2.178 ( 22.655 11.041 11.330) 27.632 3.417 ( -2.934 0.498 -0.726) 3.063 4.361 ( 7.425 6.818 -7.037) 12.294 4.524 ( 28.557 7.712 13.136) 32.366 4.896 ( 0.239 -12.341 -9.067) 15.316 5.119 ( -11.293 -3.883 7.429) 14.064 5.866 ( -10.940 -7.278 11.956) 17.765 6.396 ( 4.406 3.247 2.017) 5.833 6.590 ( -6.386 6.732 2.112) 9.517 8.758 ( 2.670 6.106 -0.725) 6.703 8.918 ( 2.437 1.585 5.407) 6.139 10.104 ( -2.261 -0.497 5.239) 5.728 10.244 ( 1.939 -2.257 -6.140) 6.823 10.366 ( 1.781 0.512 0.211) 1.865 11.337 ( -10.027 -2.843 -3.114) 10.877 11.561 ( -3.874 -10.031 -3.555) 11.325 12.418 ( 4.884 2.952 -0.835) 5.768 13.304 ( 15.713 -13.000 2.999) 20.613 13.892 ( -7.814 14.387 -7.842) 18.153 14.197 ( 11.657 21.033 4.486) 24.463 15.138 ( 5.684 -4.477 0.961) 7.299 15.644 ( -17.571 -3.848 11.096) 21.134 16.659 ( 4.850 -5.603 5.018) 8.950 17.567 ( 0.334 0.544 5.758) 5.793 18.115 ( -13.130 -4.498 -9.497) 16.817 19.752 ( -2.443 11.407 -12.771) 17.297 20.171 ( 3.419 -2.764 -5.327) 6.907 20.245 ( -0.005 1.375 -1.397) 1.960 20.501 ( 1.337 -9.673 6.394) 11.672 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 12.125 3.773 22.514) 25.848 2.705 ( 19.934 13.047 1.864) 23.897 3.384 ( -2.488 1.561 0.425) 2.968 4.111 ( -10.354 -7.506 -3.908) 13.373 4.646 ( -8.230 -9.353 -0.968) 12.496 4.984 ( -1.382 -8.368 0.664) 8.507 5.469 ( 30.145 18.524 7.405) 36.148 5.696 ( -5.445 -6.629 2.938) 9.068 6.485 ( -7.308 0.405 -4.237) 8.457 6.623 ( 10.478 13.746 7.452) 18.822 8.838 ( -1.983 7.558 -0.169) 7.816 9.006 ( 4.267 -2.046 3.120) 5.668 9.920 ( -11.076 -8.864 5.069) 15.065 10.321 ( 5.770 1.724 -3.907) 7.179 10.452 ( 5.419 3.690 -0.793) 6.604 11.083 ( -12.505 -4.094 1.103) 13.204 11.353 ( -6.106 -9.327 -5.249) 12.322 12.568 ( 9.048 2.948 -4.099) 10.362 13.449 ( 15.275 -15.051 2.847) 21.632 13.838 ( -10.700 15.016 -5.900) 19.359 14.469 ( -1.312 10.392 3.529) 11.053 15.269 ( 9.101 -2.439 4.815) 10.581 15.488 ( -7.204 5.178 14.469) 16.972 16.711 ( 4.921 -5.047 2.595) 7.511 17.551 ( -7.038 -2.892 7.642) 10.784 17.797 ( -9.735 -4.614 -11.114) 15.479 19.769 ( 0.300 11.449 -13.001) 17.326 20.166 ( 3.078 -2.951 -5.118) 6.662 20.251 ( 0.295 1.054 -1.352) 1.740 20.459 ( -0.462 -8.193 6.774) 10.640 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 8.326 2.366 13.821) 16.308 3.102 ( 13.317 7.566 2.505) 15.519 3.325 ( -5.215 0.063 0.107) 5.216 3.899 ( -6.482 -3.872 -0.770) 7.589 4.419 ( -8.621 -6.850 1.349) 11.094 4.904 ( 1.005 -6.034 -1.681) 6.344 5.612 ( 1.438 -3.430 -3.558) 5.148 5.897 ( 1.785 7.961 6.017) 10.138 6.322 ( -4.806 -2.660 -2.854) 6.190 7.141 ( 23.810 18.116 2.561) 30.028 8.754 ( -12.500 -3.095 -0.030) 12.877 9.039 ( -0.036 1.214 -0.576) 1.344 9.744 ( -2.414 -7.100 3.105) 8.116 10.420 ( 4.789 3.169 1.404) 5.912 10.536 ( 2.253 0.639 -3.064) 3.857 10.900 ( -8.318 -0.262 5.015) 9.716 11.171 ( -2.347 -5.933 -3.197) 7.137 12.680 ( 6.397 0.100 -7.881) 10.151 13.541 ( 8.897 -10.692 0.905) 13.939 13.766 ( -8.215 9.262 -2.773) 12.687 14.489 ( -3.549 4.484 1.732) 5.975 15.275 ( -5.647 -5.813 14.591) 16.690 15.726 ( 8.009 10.952 7.817) 15.659 16.769 ( 5.925 -2.152 0.229) 6.307 17.325 ( -14.605 -3.702 -3.829) 15.545 17.661 ( 0.633 -4.402 1.956) 4.858 19.815 ( 1.379 10.972 -13.232) 17.245 20.158 ( 2.779 -2.965 -3.706) 5.500 20.257 ( 0.388 0.420 -1.157) 1.291 20.417 ( -1.167 -5.751 6.837) 9.010 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -13.256 -5.861 0.589) 14.506 3.292 ( 5.596 0.417 10.640) 12.029 3.370 ( 3.350 1.294 -1.151) 3.771 3.791 ( -2.863 -0.340 1.354) 3.185 4.290 ( -1.480 -0.934 -0.261) 1.769 4.899 ( 1.377 2.274 -0.300) 2.675 5.604 ( 6.528 -6.271 -9.461) 13.094 5.828 ( -11.556 -1.289 1.625) 11.741 6.336 ( 3.445 4.875 2.747) 6.571 7.490 ( -2.753 -1.924 -2.777) 4.358 8.538 ( -0.200 0.239 0.093) 0.326 9.023 ( -4.650 5.194 -3.281) 7.705 9.684 ( -0.022 -7.185 0.573) 7.208 10.497 ( -1.839 -1.342 3.760) 4.395 10.595 ( 8.205 4.726 -1.036) 9.526 10.865 ( -2.640 2.078 8.706) 9.332 11.126 ( 2.162 -1.428 -1.486) 2.986 12.688 ( 2.195 -1.834 -10.589) 10.968 13.562 ( -3.313 5.819 -0.010) 6.696 13.709 ( 1.653 -6.431 -2.799) 7.206 14.510 ( 1.343 2.366 1.614) 3.163 15.212 ( -5.730 -5.167 14.692) 16.594 15.858 ( -5.653 0.888 4.937) 7.557 16.874 ( 2.299 0.820 1.597) 2.917 17.069 ( -3.987 0.256 -7.773) 8.739 17.715 ( 6.285 -2.368 7.190) 9.839 19.857 ( 1.306 9.166 -13.386) 16.276 20.161 ( 2.770 -2.162 -2.752) 4.463 20.261 ( -0.140 1.233 -0.150) 1.249 20.394 ( -0.725 -4.291 6.761) 8.040 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -21.182 -9.820 -1.547) 23.399 3.227 ( -13.485 -9.358 4.964) 17.148 3.420 ( 2.289 -2.819 3.949) 5.364 3.878 ( 6.754 8.669 -0.262) 10.993 4.366 ( 8.829 3.663 -0.597) 9.578 4.976 ( -0.028 9.213 1.107) 9.280 5.531 ( 0.271 -9.734 -12.150) 15.571 5.666 ( -3.875 -4.282 0.867) 5.840 6.465 ( 0.170 5.686 3.530) 6.694 7.015 ( -26.612 -18.445 -4.161) 32.645 8.749 ( 12.723 3.641 -0.937) 13.267 8.947 ( -6.903 5.460 -4.029) 9.680 9.619 ( 1.133 -3.102 -2.126) 3.928 10.478 ( -1.954 -0.425 4.979) 5.365 10.811 ( 9.616 6.839 0.713) 11.821 10.876 ( -3.943 -4.502 11.656) 13.103 11.215 ( 8.408 4.937 -1.683) 9.894 12.586 ( -3.167 -3.159 -12.433) 13.213 13.509 ( -12.304 9.691 -1.345) 15.720 13.722 ( 11.689 -8.455 -2.468) 14.636 14.590 ( 4.375 -0.982 4.478) 6.337 15.171 ( -2.366 -3.213 8.844) 9.702 15.643 ( -18.314 -5.332 4.588) 19.618 16.759 ( -6.914 -2.563 -2.394) 7.753 17.203 ( 10.153 6.266 -1.543) 12.030 17.900 ( 10.765 0.547 8.096) 13.480 19.871 ( 0.833 6.588 -13.053) 14.645 20.170 ( 2.629 -1.665 -3.335) 4.561 20.276 ( -1.483 3.977 0.355) 4.259 20.395 ( 0.817 -4.232 7.689) 8.814 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -24.234 -12.286 -0.090) 27.171 2.835 ( -22.843 -14.690 6.236) 27.865 3.435 ( 1.730 -0.250 0.773) 1.911 4.101 ( 7.503 10.317 -1.831) 12.888 4.600 ( 14.983 2.004 -1.695) 15.211 5.017 ( -10.682 3.733 -1.339) 11.395 5.270 ( -13.288 -10.728 -1.507) 17.144 5.566 ( -1.068 -5.452 -0.999) 5.644 6.255 ( -12.990 -7.604 -7.477) 16.807 6.721 ( -0.417 0.664 3.612) 3.696 8.786 ( -3.104 -3.085 -3.981) 5.917 8.920 ( -1.984 0.769 0.739) 2.253 9.707 ( 9.720 5.769 -4.466) 12.154 10.479 ( -2.386 0.847 5.813) 6.340 10.754 ( -9.569 -7.384 10.905) 16.279 11.072 ( 12.210 6.340 -0.448) 13.765 11.431 ( 10.211 5.421 -2.324) 11.792 12.396 ( -5.615 -3.100 -11.432) 13.109 13.362 ( -10.260 3.185 -2.767) 11.094 13.845 ( 8.520 -3.786 -0.730) 9.351 14.638 ( -1.951 -5.995 8.081) 10.249 15.166 ( 0.364 -2.909 -2.986) 4.185 15.355 ( -11.278 2.198 10.913) 15.847 16.636 ( -3.696 -2.387 -1.485) 4.644 17.391 ( 6.019 4.102 -0.093) 7.284 18.157 ( 12.119 2.357 7.027) 14.205 19.860 ( 0.966 5.134 -13.657) 14.622 20.178 ( 2.345 -1.476 -2.445) 3.695 20.279 ( -2.646 3.903 -0.699) 4.767 20.434 ( 1.783 -3.011 8.566) 9.253 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -24.308 -14.058 6.304) 28.779 2.277 ( -29.657 -17.080 6.807) 34.894 3.484 ( 0.484 0.061 0.013) 0.489 4.034 ( -30.472 -14.012 -11.994) 35.619 4.548 ( -4.316 -5.619 9.818) 12.108 4.863 ( 15.702 0.293 -8.695) 17.951 5.225 ( -3.805 11.564 8.000) 14.568 5.567 ( 5.051 -2.796 2.012) 6.114 6.091 ( 0.463 -0.609 -10.423) 10.451 6.730 ( -3.641 -0.381 4.331) 5.671 8.679 ( -2.800 -1.935 -4.593) 5.716 8.856 ( -4.450 -2.632 2.901) 5.928 9.927 ( 10.374 6.852 -3.586) 12.939 10.476 ( -3.115 1.025 5.241) 6.182 10.566 ( -10.594 -8.788 9.916) 16.965 11.311 ( 9.981 5.410 -8.964) 14.466 11.563 ( 4.635 0.774 -1.657) 4.983 12.295 ( 2.205 2.129 -4.948) 5.820 13.211 ( -7.551 0.075 -2.606) 7.988 13.834 ( -3.666 -8.442 -2.328) 9.494 14.453 ( -15.126 -7.316 10.164) 19.638 15.192 ( 5.826 2.935 3.060) 7.206 15.484 ( 9.932 8.495 3.389) 13.502 16.562 ( -2.147 -2.580 0.140) 3.359 17.470 ( 0.430 0.804 0.414) 1.001 18.409 ( 10.052 3.065 4.499) 11.431 19.846 ( 2.120 5.543 -15.922) 16.992 20.194 ( 1.937 -0.828 -0.364) 2.137 20.259 ( -2.395 2.244 -1.386) 3.563 20.483 ( 1.111 -3.223 8.589) 9.241 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -20.006 -13.675 23.513) 33.766 1.616 ( -34.217 -17.665 8.145) 39.360 2.766 ( -56.525 -32.907 -3.257) 65.487 3.691 ( 4.049 2.352 -5.120) 6.938 4.754 ( 12.224 4.515 15.693) 20.398 5.032 ( 15.049 -4.727 -13.768) 20.937 5.369 ( -2.634 14.942 14.222) 20.796 5.685 ( 5.933 0.576 8.125) 10.077 6.039 ( 1.402 -0.589 -11.244) 11.347 6.625 ( -9.731 -3.767 4.601) 11.404 8.614 ( -0.631 0.501 -4.627) 4.696 8.780 ( -3.935 -2.278 3.356) 5.652 10.105 ( 4.083 4.257 1.273) 6.035 10.374 ( -6.828 -7.851 5.563) 11.799 10.457 ( -3.390 0.644 3.986) 5.272 11.270 ( -2.230 -3.133 -20.282) 20.643 11.759 ( 12.408 6.110 6.143) 15.133 12.414 ( 7.655 4.791 -1.656) 9.181 13.088 ( -3.883 -2.724 -1.576) 4.998 13.546 ( -15.732 -9.787 -2.644) 18.715 14.239 ( -11.482 -2.877 9.603) 15.242 15.350 ( 5.186 2.358 -0.782) 5.750 15.827 ( 17.303 10.906 1.046) 20.480 16.513 ( -1.304 -2.813 1.750) 3.560 17.428 ( -4.661 -2.253 0.543) 5.205 18.585 ( 5.453 2.773 0.082) 6.119 19.854 ( 3.026 8.589 -17.791) 19.986 20.217 ( -0.243 1.006 0.690) 1.244 20.234 ( 0.278 -0.442 -1.431) 1.524 20.505 ( 0.613 -6.352 8.852) 10.912 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 17.795 36.473 13.923) 42.904 1.275 ( -14.014 44.145 12.866) 48.069 2.088 ( -1.137 20.294 52.868) 56.641 3.725 ( 0.442 -7.361 -1.595) 7.545 4.801 ( -4.454 -10.361 -17.119) 20.500 5.173 ( -1.618 6.013 -13.889) 15.221 5.894 ( 12.805 -10.008 1.304) 16.304 6.033 ( -16.213 -9.189 12.095) 22.217 6.485 ( 7.657 9.556 8.163) 14.716 6.814 ( -2.359 -53.082 29.639) 60.842 8.568 ( 4.672 -3.167 -1.451) 5.828 8.758 ( -0.482 5.089 2.072) 5.516 10.228 ( -6.369 9.001 7.220) 13.180 10.298 ( 7.974 0.217 -3.078) 8.550 10.456 ( 3.189 9.825 -2.341) 10.591 10.525 ( -7.706 16.494 -10.468) 21.000 12.250 ( -1.430 -23.826 1.394) 23.909 12.536 ( 0.335 -8.589 -0.995) 8.653 13.042 ( -10.894 1.356 0.961) 11.020 13.186 ( 8.743 16.537 1.489) 18.766 14.180 ( 15.184 10.252 1.260) 18.364 14.584 ( -10.994 39.742 -20.816) 46.191 16.341 ( 4.446 -19.180 6.735) 20.809 16.601 ( -5.623 1.786 8.910) 10.686 17.311 ( 0.554 8.168 1.224) 8.278 18.552 ( 0.639 -2.332 -2.124) 3.218 19.822 ( 8.542 -18.497 -3.484) 20.670 20.142 ( -3.608 0.573 -4.369) 5.696 20.234 ( 0.360 0.152 -1.880) 1.920 20.527 ( -5.249 8.684 1.098) 10.206 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 2.266 40.217 8.902) 41.252 1.846 ( 8.970 16.079 30.298) 35.454 2.888 ( 31.926 35.095 29.411) 55.820 3.616 ( -2.880 -6.568 -1.189) 7.269 4.543 ( -0.883 -11.890 -15.283) 19.384 5.023 ( -7.909 -5.280 -8.683) 12.877 5.688 ( -17.737 -5.981 6.965) 19.972 6.077 ( 12.202 -7.632 0.170) 14.393 6.348 ( -13.541 -26.621 22.992) 37.691 6.731 ( -0.335 10.706 8.283) 13.541 8.630 ( 5.035 -1.109 -0.566) 5.187 8.859 ( 3.245 4.865 3.371) 6.750 10.107 ( -10.799 12.589 -0.359) 16.590 10.263 ( -0.991 -6.405 0.390) 6.493 10.498 ( -4.709 4.902 2.621) 7.286 10.950 ( 26.739 7.456 -8.686) 29.087 11.921 ( -11.392 -18.608 0.634) 21.827 12.419 ( -2.100 -8.416 -2.409) 9.002 12.966 ( 1.086 -1.990 -0.402) 2.303 13.598 ( 15.930 18.954 2.462) 24.882 14.326 ( -10.638 20.169 3.464) 23.064 14.837 ( 12.384 16.762 -16.857) 26.804 16.172 ( -7.823 -19.182 10.524) 23.236 16.576 ( -3.167 1.210 7.230) 7.985 17.451 ( 4.768 5.977 2.527) 8.052 18.464 ( -5.681 -3.865 -4.255) 8.082 19.792 ( 8.033 -11.475 -8.105) 16.183 20.051 ( -2.922 0.738 -6.165) 6.862 20.230 ( 0.599 -0.246 -1.647) 1.769 20.514 ( -3.801 2.049 4.475) 6.218 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 10.763 33.502 4.577) 35.485 2.239 ( 3.900 6.544 35.305) 36.118 3.471 ( -3.374 -1.404 1.512) 3.955 4.041 ( 41.453 32.229 11.058) 53.659 4.356 ( 0.964 -11.909 -9.043) 14.984 4.763 ( -6.688 -10.122 -6.601) 13.811 5.389 ( -16.842 -5.104 7.733) 19.223 5.960 ( -6.707 -18.394 4.378) 20.062 6.328 ( 7.108 3.022 6.047) 9.809 6.800 ( -6.112 5.205 6.532) 10.350 8.722 ( 5.649 2.326 -0.456) 6.126 8.961 ( 0.866 3.910 4.648) 6.136 10.132 ( 1.677 5.020 -3.035) 6.101 10.177 ( -2.632 -4.688 3.241) 6.278 10.464 ( -6.388 5.288 2.310) 8.609 11.280 ( 12.395 0.561 -6.706) 14.104 11.555 ( -12.207 -15.180 -0.784) 19.495 12.328 ( 2.746 -4.819 -3.794) 6.720 13.008 ( 8.052 -5.822 0.054) 9.937 14.021 ( 8.010 18.429 -1.541) 20.153 14.404 ( -5.010 23.722 5.456) 24.851 15.010 ( 6.209 2.596 -5.680) 8.807 15.908 ( -12.214 -12.310 13.896) 22.222 16.597 ( 0.453 -1.114 5.798) 5.921 17.577 ( 2.991 1.764 4.084) 5.361 18.237 ( -11.909 -4.882 -7.524) 14.909 19.758 ( 3.551 -2.016 -12.335) 12.993 20.008 ( 3.001 -3.024 -5.406) 6.883 20.230 ( 0.864 -0.238 -1.602) 1.835 20.497 ( -2.423 -1.314 5.608) 6.249 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 5.699 5.382 25.532) 26.708 2.646 ( 11.241 24.598 6.078) 27.719 3.434 ( -1.355 0.633 2.266) 2.715 4.164 ( -6.340 -7.220 -5.511) 11.077 4.537 ( 1.495 -10.391 -7.270) 12.769 5.002 ( 12.346 2.241 7.354) 14.544 5.195 ( 10.013 10.686 6.732) 16.117 5.722 ( -5.331 -11.189 0.221) 12.396 6.515 ( 4.090 6.051 -2.705) 7.789 6.752 ( -5.143 4.597 9.695) 11.899 8.832 ( 4.748 0.381 -0.644) 4.806 9.037 ( -0.148 6.590 4.017) 7.719 9.987 ( -6.376 -13.438 1.389) 14.939 10.291 ( 2.813 10.106 0.900) 10.529 10.448 ( -1.390 4.126 1.367) 4.564 11.229 ( -10.604 -10.741 0.523) 15.103 11.297 ( -1.503 -5.352 -6.173) 8.307 12.384 ( 9.549 -0.667 -7.091) 11.913 13.110 ( 11.696 -8.790 1.166) 14.677 14.131 ( -9.100 17.279 -5.582) 20.310 14.639 ( -1.051 12.223 7.418) 14.336 15.119 ( 9.267 2.149 1.896) 9.700 15.750 ( -8.187 -2.273 17.631) 19.572 16.631 ( 1.761 -2.184 4.305) 5.139 17.627 ( -0.261 -2.212 6.047) 6.444 17.901 ( -15.281 -4.308 -11.482) 19.593 19.740 ( 3.858 1.904 -13.528) 14.196 20.011 ( 4.700 -3.978 -4.587) 7.678 20.235 ( 0.977 -0.206 -1.396) 1.716 20.475 ( -2.251 -1.856 5.426) 6.161 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 6.426 1.543 19.830) 20.902 3.053 ( 8.888 19.065 1.880) 21.119 3.423 ( -4.541 0.331 2.960) 5.430 3.966 ( -6.347 -3.534 -1.703) 7.461 4.452 ( 0.056 -6.135 -3.312) 6.972 4.835 ( -5.641 -9.606 2.550) 11.428 5.523 ( 0.054 -9.091 -3.071) 9.596 5.819 ( 18.857 9.405 2.714) 21.246 6.384 ( -10.391 -7.393 -2.706) 13.036 7.061 ( 14.523 23.360 5.493) 28.050 8.821 ( -2.908 -7.498 -1.159) 8.125 9.127 ( -2.221 9.400 3.001) 10.114 9.755 ( -6.520 -9.465 0.919) 11.530 10.410 ( 1.853 5.741 2.126) 6.396 10.500 ( 1.790 0.822 0.676) 2.082 11.027 ( -4.271 -6.059 3.932) 8.392 11.144 ( -5.402 -3.749 -4.819) 8.152 12.490 ( 8.858 -0.072 -10.588) 13.805 13.232 ( 12.571 -10.551 2.152) 16.553 14.064 ( -12.727 14.939 -5.118) 20.281 14.637 ( -7.267 1.529 4.211) 8.537 15.300 ( 4.047 -3.851 9.703) 11.196 15.849 ( 1.664 10.823 16.987) 20.211 16.672 ( 3.420 -2.075 3.086) 5.052 17.522 ( -16.483 -2.238 -9.314) 19.064 17.626 ( -0.035 -4.133 2.679) 4.926 19.756 ( 5.046 2.270 -13.377) 14.476 20.029 ( 4.365 -2.806 -3.793) 6.428 20.243 ( 1.057 0.008 -0.751) 1.297 20.452 ( -2.341 -1.170 4.749) 5.423 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( -4.108 -5.333 7.669) 10.205 3.298 ( 0.190 5.785 5.991) 8.331 3.379 ( 1.510 6.557 1.791) 6.963 3.872 ( -4.469 0.155 1.296) 4.656 4.351 ( -5.429 -0.285 0.691) 5.480 4.799 ( 7.920 -3.656 -1.254) 8.813 5.409 ( 1.103 -8.461 -8.280) 11.890 5.990 ( -9.561 -4.013 -0.471) 10.380 6.238 ( 9.869 -3.914 2.629) 10.938 7.533 ( 6.956 20.449 -1.710) 21.667 8.585 ( -9.646 -9.793 0.192) 13.747 9.152 ( -4.716 4.935 2.028) 7.121 9.637 ( -1.674 -2.730 -2.042) 3.798 10.493 ( 1.844 -1.957 -0.169) 2.694 10.536 ( 3.848 1.797 6.147) 7.472 10.984 ( -3.882 0.428 6.841) 7.878 11.059 ( 2.357 -0.996 -4.051) 4.791 12.538 ( 5.330 -0.175 -12.183) 13.299 13.343 ( 11.600 -11.075 1.928) 16.154 13.949 ( -13.734 13.642 -4.481) 19.870 14.560 ( -3.953 -0.262 2.543) 4.708 15.303 ( -3.061 -8.875 13.849) 16.731 16.046 ( -4.327 7.079 12.952) 15.381 16.775 ( 8.532 -0.068 2.925) 9.019 17.188 ( -13.635 0.640 -11.288) 17.713 17.648 ( 3.590 -1.783 5.665) 6.940 19.782 ( 5.047 1.277 -12.370) 13.421 20.055 ( 3.789 -1.218 -3.928) 5.592 20.266 ( 1.494 0.935 0.338) 1.795 20.431 ( -2.438 -0.572 4.016) 4.733 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -18.041 -9.775 1.330) 20.563 3.367 ( -0.367 -0.595 2.315) 2.418 3.431 ( -6.767 0.592 7.502) 10.120 3.879 ( 2.879 7.665 1.112) 8.263 4.328 ( -0.047 3.885 0.457) 3.912 4.949 ( 10.614 2.002 -3.530) 11.363 5.303 ( 2.819 -8.322 -9.412) 12.876 5.727 ( -9.132 -9.447 -0.255) 13.142 6.443 ( 10.211 0.837 4.598) 11.229 7.375 ( -30.804 -3.484 -4.678) 31.352 8.585 ( 10.567 3.406 1.106) 11.158 9.102 ( -6.315 3.740 -0.700) 7.372 9.572 ( -1.370 -1.697 -2.808) 3.556 10.503 ( 0.947 -2.344 4.655) 5.297 10.703 ( 9.090 2.068 4.167) 10.211 10.982 ( -2.865 -0.181 7.238) 7.787 11.113 ( 5.936 3.111 -4.132) 7.873 12.514 ( 0.269 -0.027 -12.188) 12.191 13.418 ( 9.391 -11.283 -1.851) 14.796 13.840 ( -11.764 14.547 -1.514) 18.770 14.550 ( 1.593 -1.758 4.047) 4.692 15.225 ( -4.325 -9.011 10.574) 14.551 15.956 ( -16.318 -2.075 11.187) 19.893 16.830 ( -5.238 -1.838 -6.157) 8.290 17.101 ( 7.165 6.122 0.855) 9.463 17.789 ( 8.609 2.090 5.878) 10.632 19.796 ( 3.986 0.606 -11.389) 12.082 20.080 ( 3.122 -0.795 -4.031) 5.160 20.318 ( 2.033 2.993 0.210) 3.624 20.407 ( -2.253 -1.080 3.929) 4.656 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -23.067 -11.283 2.599) 25.810 3.163 ( -20.503 -3.574 5.204) 21.453 3.410 ( 0.207 -1.846 2.985) 3.516 4.081 ( 7.070 11.989 -0.851) 13.945 4.408 ( 7.040 -0.402 -1.104) 7.137 5.049 ( 4.423 -5.379 -10.409) 12.523 5.277 ( 2.278 2.987 -0.138) 3.759 5.536 ( -3.979 -8.795 0.164) 9.654 6.552 ( -16.503 -0.865 3.480) 16.889 6.745 ( -13.814 -5.925 -1.286) 15.086 8.751 ( 3.708 -1.563 1.070) 4.163 9.021 ( -6.940 4.402 -1.916) 8.439 9.589 ( 6.435 2.748 -2.430) 7.407 10.525 ( 0.093 -2.340 5.657) 6.123 10.852 ( 0.995 -5.373 3.975) 6.757 10.988 ( 2.513 5.766 5.010) 8.041 11.268 ( 10.646 4.239 -6.323) 13.087 12.396 ( -5.112 -0.480 -10.490) 11.679 13.381 ( 1.032 -8.480 -7.587) 11.425 13.871 ( -2.825 13.784 4.730) 14.845 14.609 ( 3.619 -4.491 7.665) 9.593 15.131 ( -2.173 -6.064 2.701) 6.985 15.674 ( -18.490 -5.751 12.146) 22.858 16.682 ( -5.427 0.204 -5.365) 7.633 17.317 ( 8.453 3.782 3.043) 9.748 18.025 ( 11.339 4.016 5.434) 13.199 19.790 ( 2.656 1.184 -11.549) 11.910 20.100 ( 2.967 -1.094 -2.435) 3.991 20.359 ( -2.693 5.072 -3.319) 6.633 20.406 ( 2.540 -3.077 5.715) 6.970 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -24.590 -12.242 8.988) 28.902 2.727 ( -29.933 -5.929 6.967) 31.300 3.441 ( 3.281 0.439 -0.592) 3.362 4.249 ( -3.043 8.045 -6.585) 10.833 4.505 ( 9.311 -9.136 1.370) 13.117 4.812 ( -18.193 -4.882 -6.320) 19.869 5.346 ( 1.540 -1.220 3.433) 3.955 5.451 ( 3.162 0.475 0.523) 3.240 6.148 ( -13.328 1.757 -0.440) 13.451 6.769 ( 2.193 -1.621 4.135) 4.953 8.722 ( -3.894 -0.045 -0.791) 3.974 8.927 ( -5.836 -1.482 2.202) 6.411 9.791 ( 11.901 6.817 -2.192) 13.889 10.512 ( -1.581 -5.964 5.798) 8.467 10.728 ( -8.637 -5.042 2.967) 10.431 11.188 ( 8.111 7.702 -1.666) 11.309 11.419 ( 8.718 0.978 -7.469) 11.521 12.272 ( -2.149 1.271 -5.396) 5.945 13.236 ( -3.507 -5.848 -7.948) 10.472 13.968 ( -6.599 10.237 5.768) 13.477 14.603 ( -5.129 -9.170 10.287) 14.704 15.123 ( 5.360 0.884 -0.092) 5.433 15.480 ( -3.776 -5.161 9.518) 11.467 16.588 ( -3.528 0.235 -2.592) 4.384 17.460 ( 3.470 1.176 2.661) 4.528 18.286 ( 11.242 4.014 3.445) 12.424 19.780 ( 2.216 4.176 -11.952) 12.853 20.132 ( 3.191 -1.438 -0.324) 3.515 20.321 ( -3.390 2.325 -2.557) 4.841 20.452 ( 2.341 -2.705 2.568) 4.404 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -20.586 -10.994 23.527) 33.138 2.151 ( -35.579 -7.971 6.971) 37.121 3.425 ( -20.902 -3.444 0.843) 21.201 3.721 ( -30.203 -1.592 -5.976) 30.830 4.658 ( 13.251 -6.346 6.593) 16.104 4.704 ( 7.684 6.076 -9.412) 13.585 5.468 ( 13.152 -7.590 9.234) 17.772 5.571 ( 3.593 6.169 4.799) 8.603 6.065 ( -4.658 7.061 -2.440) 8.803 6.754 ( -4.658 -3.255 4.934) 7.526 8.660 ( -4.045 4.137 -2.152) 6.173 8.840 ( -4.018 -3.594 5.158) 7.461 10.043 ( 10.452 7.423 -1.156) 12.872 10.392 ( -6.477 -13.261 4.739) 15.500 10.563 ( -5.935 -3.217 0.153) 6.753 11.271 ( -4.523 10.751 -12.977) 17.449 11.575 ( 14.172 -0.792 2.047) 14.341 12.313 ( 6.160 2.838 -1.850) 7.030 13.079 ( -3.536 -4.504 -5.985) 8.283 13.859 ( -19.375 7.498 3.020) 20.993 14.425 ( -10.070 -10.638 11.736) 18.770 15.255 ( 5.562 -0.935 -1.674) 5.884 15.604 ( 16.538 0.404 4.856) 17.241 16.529 ( -2.428 -0.660 -0.195) 2.524 17.487 ( -2.160 -0.439 2.038) 3.002 18.488 ( 8.128 1.351 -1.087) 8.311 19.827 ( 3.180 11.794 -10.980) 16.425 20.171 ( 3.195 -2.214 0.406) 3.909 20.265 ( -3.058 1.260 -3.456) 4.784 20.450 ( 0.901 -6.634 2.523) 7.154 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -2.987 37.478 6.871) 38.219 1.915 ( -8.394 18.267 30.029) 36.138 2.908 ( -29.644 33.970 28.240) 53.200 3.612 ( 1.517 -5.480 -1.161) 5.803 4.689 ( -2.342 -7.221 -14.764) 16.601 5.166 ( 1.359 8.167 -14.278) 16.504 5.558 ( 15.934 -11.135 5.294) 20.147 6.222 ( 5.035 -23.638 28.911) 37.683 6.304 ( -5.003 -12.232 3.608) 13.699 6.587 ( 11.290 3.056 5.862) 13.083 8.551 ( -4.773 -1.075 -1.233) 5.045 8.839 ( -1.550 3.059 3.992) 5.263 10.142 ( 10.875 13.984 -1.467) 17.776 10.230 ( -0.642 -8.701 2.348) 9.035 10.522 ( 3.319 6.002 2.321) 7.241 11.014 ( -25.772 10.115 -9.219) 29.180 11.969 ( 9.304 -16.412 0.604) 18.876 12.406 ( 2.525 -9.283 -1.802) 9.788 13.294 ( -0.632 13.773 2.582) 14.027 13.359 ( -21.681 2.895 1.661) 21.937 13.990 ( 16.136 13.686 -5.419) 21.841 15.022 ( -10.912 20.901 -9.430) 25.394 16.052 ( 10.378 -20.761 6.709) 24.161 16.743 ( -0.291 5.341 10.634) 11.903 17.434 ( -4.723 5.482 2.642) 7.704 18.437 ( 7.027 -5.423 -3.209) 9.438 19.542 ( -0.283 -16.292 -7.340) 17.871 20.163 ( -1.487 0.789 -3.486) 3.871 20.216 ( -0.009 -0.592 -2.056) 2.139 20.661 ( -0.538 6.974 0.112) 6.996 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 10.341 35.317 12.110) 38.741 2.147 ( -5.765 25.460 20.127) 32.962 3.164 ( -0.610 35.235 30.566) 46.650 3.552 ( 0.179 -7.655 -1.020) 7.725 4.434 ( -7.176 -6.846 -13.687) 16.903 5.066 ( -7.664 -1.778 -10.369) 13.016 5.721 ( 11.700 -8.253 -1.939) 14.449 5.989 ( -13.272 -10.380 8.049) 18.673 6.271 ( 4.450 -25.357 19.153) 32.088 6.809 ( 6.320 4.360 6.177) 9.854 8.536 ( 2.965 0.845 0.309) 3.099 8.897 ( 0.936 5.707 2.737) 6.399 10.119 ( -0.073 -10.294 0.617) 10.313 10.562 ( 10.936 9.511 2.843) 14.770 10.613 ( 3.547 7.043 -5.699) 9.730 10.659 ( -18.585 13.352 0.785) 22.897 11.840 ( -1.968 -18.998 -1.390) 19.150 12.314 ( 0.624 -11.517 -2.900) 11.893 13.080 ( -13.347 2.104 -0.020) 13.512 13.584 ( 11.154 19.399 4.500) 22.825 14.400 ( 15.621 12.504 -2.859) 20.212 14.999 ( -10.733 24.952 -10.813) 29.236 16.028 ( 5.331 -19.859 7.641) 21.936 16.778 ( -7.939 2.954 12.800) 15.349 17.474 ( 0.781 5.977 2.015) 6.355 18.439 ( 0.841 -5.540 -3.639) 6.682 19.418 ( 9.586 -17.603 -5.648) 20.824 20.101 ( -3.737 1.255 -5.231) 6.550 20.203 ( 0.655 -0.749 -2.051) 2.280 20.650 ( -5.499 3.420 0.313) 6.484 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -0.754 28.088 10.330) 29.936 2.510 ( 2.214 18.990 26.085) 32.341 3.477 ( -0.033 -5.940 0.331) 5.949 3.883 ( 24.903 31.996 17.569) 44.188 4.211 ( -3.699 -1.468 -11.829) 12.481 4.797 ( -11.015 -8.359 -6.392) 15.233 5.630 ( -13.216 -7.204 4.873) 15.821 5.801 ( 2.567 -18.294 -0.157) 18.474 6.285 ( 5.543 -3.523 10.142) 12.082 6.928 ( -0.172 1.148 5.740) 5.856 8.632 ( 6.012 1.617 0.336) 6.235 8.997 ( 2.411 4.751 2.866) 6.050 10.029 ( 0.826 -11.000 0.765) 11.058 10.410 ( -12.570 11.513 -1.654) 17.125 10.649 ( -6.609 6.887 4.726) 10.651 10.992 ( 17.933 4.636 -3.612) 18.872 11.572 ( -7.568 -16.092 -1.165) 17.821 12.198 ( 1.537 -9.721 -3.996) 10.622 12.950 ( -4.054 1.691 -2.031) 4.839 14.022 ( 13.796 17.193 6.072) 22.865 14.655 ( 3.733 8.948 1.536) 9.817 15.021 ( -5.277 19.858 -10.116) 22.902 15.950 ( -0.774 -13.741 9.969) 16.994 16.734 ( -8.471 2.602 11.988) 14.908 17.566 ( 2.697 2.765 2.067) 4.381 18.302 ( -6.748 -6.302 -5.608) 10.803 19.423 ( 13.685 -15.593 -7.297) 21.993 20.014 ( -4.038 2.647 -6.428) 8.039 20.199 ( 1.068 -0.729 -1.889) 2.289 20.587 ( -4.822 1.032 2.204) 5.401 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 1.359 11.178 18.313) 21.498 2.860 ( 0.872 24.371 14.576) 28.410 3.459 ( 1.066 -0.684 2.877) 3.144 4.083 ( 2.062 -5.266 -7.203) 9.158 4.458 ( -6.692 -7.230 -5.687) 11.375 4.768 ( 24.539 19.340 8.293) 32.326 5.352 ( -13.573 -5.675 5.055) 15.556 5.643 ( -0.574 -14.268 -1.947) 14.412 6.462 ( 7.590 4.937 0.009) 9.055 6.917 ( -4.060 0.688 8.053) 9.044 8.743 ( 5.125 0.239 -0.766) 5.187 9.102 ( 2.760 5.360 3.238) 6.843 9.923 ( -1.314 -12.186 1.333) 12.329 10.403 ( -2.362 11.516 0.388) 11.762 10.605 ( -8.670 5.625 4.436) 11.247 11.130 ( 2.076 -9.100 -6.479) 11.362 11.333 ( -5.257 -6.213 1.361) 8.252 12.174 ( 7.722 -4.092 -5.783) 10.479 12.936 ( 2.829 -0.920 -1.623) 3.389 14.338 ( 2.110 10.865 1.889) 11.228 14.785 ( 0.641 6.765 4.610) 8.211 15.083 ( 0.426 12.824 -3.385) 13.270 15.898 ( -2.327 -3.472 13.064) 13.717 16.701 ( -5.738 1.519 9.859) 11.508 17.620 ( 1.172 -1.082 1.313) 2.066 18.040 ( -12.590 -5.273 -7.420) 15.536 19.464 ( 12.853 -11.955 -9.339) 19.883 19.959 ( -1.237 2.973 -5.750) 6.590 20.202 ( 1.348 -0.585 -1.622) 2.188 20.541 ( -3.226 0.088 3.035) 4.430 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 0.840 2.691 19.697) 19.898 3.170 ( 3.232 20.647 3.298) 21.157 3.523 ( -1.092 5.086 6.463) 8.297 4.007 ( -3.735 -3.736 -3.262) 6.209 4.295 ( 3.986 -6.481 -4.889) 9.045 4.929 ( -11.157 -10.395 4.254) 15.831 5.383 ( 5.784 -5.460 -1.111) 8.031 5.609 ( 13.140 4.666 -0.109) 13.944 6.441 ( -7.183 -7.642 -5.576) 11.878 7.114 ( 10.575 20.260 8.402) 24.349 8.763 ( 0.509 -4.968 -1.942) 5.359 9.237 ( 2.475 6.940 3.455) 8.138 9.770 ( -4.742 -9.280 1.719) 10.562 10.485 ( -0.814 6.016 0.119) 6.072 10.547 ( -5.938 3.535 4.369) 8.176 10.972 ( -0.695 -9.036 -2.466) 9.392 11.216 ( -6.036 -3.393 -0.054) 6.924 12.275 ( 9.913 0.228 -8.038) 12.764 12.994 ( 7.284 -4.277 0.203) 8.449 14.365 ( -8.367 9.943 -1.205) 13.051 14.775 ( -6.698 -0.325 1.065) 6.790 15.255 ( 5.440 3.608 6.208) 9.009 16.002 ( 2.557 6.978 15.523) 17.210 16.687 ( -3.205 -0.229 7.602) 8.253 17.584 ( -2.770 -2.533 -8.166) 8.987 17.737 ( -12.996 -2.496 -0.232) 13.236 19.510 ( 11.480 -8.493 -10.003) 17.435 19.957 ( 1.329 2.496 -4.813) 5.582 20.214 ( 1.605 -0.295 -1.011) 1.920 20.515 ( -2.491 0.377 2.943) 3.874 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -1.953 -4.039 12.004) 12.815 3.410 ( 4.545 13.746 0.033) 14.478 3.513 ( -10.454 4.808 7.717) 13.855 3.928 ( -1.316 0.150 0.133) 1.331 4.370 ( 7.506 1.003 -1.790) 7.782 4.683 ( -6.052 -7.455 0.490) 9.615 5.288 ( -0.624 -8.860 -5.354) 10.371 5.938 ( 16.334 1.289 1.523) 16.455 6.130 ( -11.281 -14.229 -3.692) 18.530 7.605 ( 12.556 27.241 1.036) 30.013 8.632 ( -6.701 -9.307 -1.275) 11.539 9.270 ( -4.719 -3.439 4.781) 7.547 9.676 ( -2.861 4.482 -1.585) 5.548 10.464 ( -1.400 -3.149 1.235) 3.661 10.542 ( -0.255 0.546 4.679) 4.718 10.966 ( 4.459 -0.457 -1.150) 4.627 11.087 ( -5.114 -1.948 0.941) 5.553 12.380 ( 7.031 2.307 -8.969) 11.628 13.086 ( 9.125 -7.195 1.707) 11.745 14.284 ( -12.529 12.569 -2.770) 17.962 14.639 ( -6.083 -3.514 0.202) 7.028 15.332 ( -0.669 -5.909 11.005) 12.509 16.233 ( 1.725 7.669 14.253) 16.277 16.685 ( 1.398 -3.112 4.704) 5.811 17.349 ( -11.935 2.276 -14.837) 19.177 17.648 ( -1.289 -0.527 7.197) 7.331 19.562 ( 10.108 -6.144 -9.518) 15.183 19.983 ( 2.337 1.989 -4.539) 5.479 20.241 ( 2.132 0.321 -0.059) 2.157 20.497 ( -2.526 1.131 2.328) 3.616 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -12.274 -8.982 3.684) 15.649 3.438 ( -5.537 0.583 7.617) 9.435 3.580 ( -1.442 9.376 1.318) 9.578 3.930 ( -0.185 4.936 1.400) 5.134 4.438 ( -5.636 6.153 2.058) 8.593 4.657 ( 13.106 -7.823 -7.911) 17.192 5.195 ( 1.315 -2.901 -3.329) 4.607 5.775 ( -10.594 -12.931 -2.331) 16.878 6.221 ( 16.247 -3.003 2.550) 16.718 7.828 ( -18.292 13.301 -5.343) 23.239 8.483 ( 3.968 -1.826 3.504) 5.599 9.164 ( -2.087 -7.310 3.156) 8.231 9.651 ( -7.065 7.467 -3.916) 11.001 10.466 ( 3.032 -3.384 4.853) 6.648 10.607 ( 5.498 -1.282 4.301) 7.097 10.996 ( 2.132 -0.280 -5.342) 5.759 11.074 ( 0.932 1.888 3.560) 4.136 12.445 ( 2.944 4.092 -8.107) 9.546 13.164 ( 8.336 -8.753 0.464) 12.096 14.167 ( -12.877 12.728 -3.169) 18.381 14.549 ( -1.348 -3.120 2.591) 4.273 15.276 ( -4.633 -8.922 10.654) 14.648 16.250 ( -12.573 -2.181 11.775) 17.363 16.751 ( 6.795 -2.892 -3.966) 8.382 17.157 ( -6.170 5.338 -2.857) 8.644 17.737 ( 4.857 4.351 5.269) 8.384 19.610 ( 8.337 -4.514 -8.877) 12.988 20.013 ( 2.325 1.394 -4.152) 4.959 20.292 ( 2.919 0.985 0.572) 3.133 20.476 ( -3.032 1.699 1.286) 3.706 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -19.334 -9.180 3.155) 21.634 3.385 ( -5.617 0.459 1.079) 5.738 3.536 ( -11.256 1.284 7.636) 13.663 4.081 ( 6.200 12.053 -0.668) 13.571 4.344 ( -3.455 -5.675 -3.816) 7.662 4.763 ( 11.722 -5.397 -8.165) 15.271 5.264 ( 5.005 5.225 -0.103) 7.236 5.534 ( -4.989 -7.576 1.068) 9.134 6.462 ( 14.092 -3.593 2.839) 14.818 7.297 ( -41.257 -0.112 -1.546) 41.286 8.666 ( 7.526 2.110 2.935) 8.349 9.120 ( 0.011 -1.537 0.170) 1.547 9.569 ( -4.418 4.095 -2.141) 6.393 10.506 ( 1.746 -4.217 4.862) 6.669 10.746 ( 7.947 -1.110 3.289) 8.672 11.008 ( 3.336 -0.824 -4.675) 5.802 11.148 ( 3.671 4.512 -0.587) 5.846 12.438 ( -3.673 4.053 -6.692) 8.643 13.196 ( 5.871 -7.465 -3.498) 10.120 14.109 ( -6.491 11.945 0.837) 13.620 14.561 ( 2.387 -2.471 6.252) 7.134 15.157 ( -5.329 -7.532 5.952) 10.979 15.980 ( -18.875 -9.405 10.014) 23.345 16.724 ( -2.264 0.930 -8.915) 9.244 17.237 ( 6.629 2.392 6.053) 9.290 17.934 ( 8.523 6.044 3.871) 11.143 19.646 ( 6.401 -2.449 -8.499) 10.918 20.040 ( 2.231 0.881 -2.713) 3.621 20.356 ( 3.132 0.759 0.228) 3.231 20.441 ( -3.620 1.763 -0.197) 4.031 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -22.727 -8.050 7.945) 25.386 3.181 ( -22.614 -1.018 2.825) 22.813 3.428 ( -3.079 -0.048 2.503) 3.968 4.232 ( 3.665 -4.442 -7.896) 9.773 4.317 ( 8.477 5.978 1.086) 10.430 4.843 ( 6.392 -2.596 -3.963) 7.956 5.323 ( -2.443 -3.853 -0.197) 4.567 5.495 ( -0.967 6.613 1.487) 6.847 6.588 ( -24.640 -1.062 7.689) 25.834 6.673 ( -1.747 -1.996 -0.775) 2.764 8.750 ( 0.980 -0.570 2.670) 2.901 9.064 ( -7.683 0.946 0.690) 7.771 9.644 ( 9.573 3.754 -0.281) 10.287 10.494 ( -0.295 -6.641 3.985) 7.750 10.782 ( -3.322 -2.226 -3.072) 5.043 11.091 ( 10.324 -0.374 -0.682) 10.353 11.271 ( 6.354 5.662 -4.948) 9.845 12.345 ( -6.636 4.051 -3.826) 8.665 13.165 ( 0.479 -4.310 -6.234) 7.594 14.184 ( -1.004 10.258 4.479) 11.238 14.622 ( 0.631 -3.864 9.420) 10.201 15.067 ( -0.093 -2.762 1.752) 3.272 15.621 ( -16.238 -12.411 8.687) 22.208 16.642 ( -3.723 1.857 -5.194) 6.655 17.401 ( 6.625 -0.356 5.018) 8.318 18.159 ( 10.064 3.930 0.932) 10.844 19.690 ( 5.423 2.158 -7.277) 9.328 20.073 ( 2.358 0.303 -1.027) 2.589 20.385 ( -3.869 2.364 -4.023) 6.061 20.402 ( 2.025 -2.012 1.421) 3.188 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -20.727 -4.612 19.213) 28.636 2.691 ( -32.631 -5.146 2.668) 33.142 3.435 ( 2.251 0.310 -1.419) 2.678 4.229 ( -0.537 -0.391 -0.961) 1.168 4.502 ( 1.018 5.221 1.259) 5.466 4.751 ( -16.096 5.858 -6.082) 18.177 5.204 ( 5.348 -10.727 2.778) 12.304 5.586 ( 3.937 4.436 3.490) 6.882 6.279 ( -12.765 6.345 6.685) 15.744 6.745 ( 3.921 -5.053 2.635) 6.917 8.760 ( -2.249 3.413 0.746) 4.155 8.932 ( -7.733 -1.995 4.353) 9.095 9.889 ( 13.709 3.343 0.876) 14.138 10.405 ( -4.673 -8.050 1.827) 9.486 10.615 ( -7.599 -3.402 -6.255) 10.414 11.290 ( 12.838 -0.805 0.704) 12.882 11.385 ( 4.064 6.969 -6.660) 10.462 12.300 ( -1.970 5.276 -0.381) 5.645 13.073 ( -2.999 -0.841 -5.801) 6.585 14.237 ( -8.834 8.902 2.421) 12.773 14.537 ( -9.932 -10.181 10.832) 17.878 15.145 ( 5.191 -1.045 -0.563) 5.325 15.413 ( 3.676 -8.231 8.322) 12.269 16.574 ( -3.307 0.875 -1.925) 3.925 17.497 ( 2.474 -1.084 3.706) 4.586 18.326 ( 9.126 -1.578 -4.366) 10.239 19.809 ( 6.432 10.461 -5.091) 13.293 20.105 ( 2.008 -1.034 -0.830) 2.406 20.307 ( -3.791 0.940 -5.196) 6.500 20.400 ( 0.294 -4.196 1.575) 4.491 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -13.893 27.930 4.504) 31.518 2.351 ( -4.963 13.330 31.522) 34.583 3.393 ( 0.340 -2.623 -0.430) 2.680 4.029 ( -31.109 20.180 5.978) 37.560 4.588 ( -1.548 3.155 -1.510) 3.825 5.084 ( 9.492 8.104 -12.617) 17.747 5.258 ( 10.839 -8.783 8.252) 16.209 6.006 ( 6.149 -16.627 17.101) 24.632 6.403 ( -5.258 -11.056 7.951) 14.598 6.459 ( 5.564 3.148 -4.060) 7.573 8.642 ( -5.952 -0.262 -0.508) 5.979 8.920 ( -2.473 2.881 4.707) 6.047 10.132 ( 0.665 -4.440 2.723) 5.251 10.206 ( -0.426 6.331 -1.605) 6.545 10.501 ( 6.819 5.906 1.612) 9.164 11.285 ( -4.600 -1.960 -6.244) 8.000 11.700 ( 8.321 -6.245 -1.692) 10.541 12.322 ( -4.518 -5.268 -0.743) 6.979 13.462 ( -5.222 6.593 1.209) 8.496 13.776 ( -13.890 4.347 2.249) 14.727 13.871 ( 1.700 13.074 -5.719) 14.371 15.242 ( -1.220 11.485 0.842) 11.581 15.720 ( 10.164 -19.001 8.017) 22.992 16.840 ( 3.697 8.079 9.040) 12.675 17.573 ( -3.834 1.817 6.390) 7.670 18.179 ( 12.179 -7.723 -6.026) 15.630 19.426 ( -8.487 -12.166 -11.952) 19.050 20.169 ( -0.513 1.548 -4.164) 4.472 20.204 ( -1.144 -1.275 -1.502) 2.278 20.689 ( 4.067 5.181 0.921) 6.651 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 5.364 36.496 6.739) 37.499 2.576 ( -5.458 14.525 25.657) 29.984 3.398 ( 3.369 -2.995 0.615) 4.549 3.837 ( -17.438 16.702 8.090) 25.465 4.505 ( -11.141 6.797 -1.215) 13.107 5.106 ( -4.689 1.556 -12.517) 13.456 5.408 ( 13.344 -9.176 2.003) 16.318 6.014 ( 4.564 -17.071 8.810) 19.745 6.185 ( -9.434 -10.782 12.930) 19.299 6.677 ( 13.775 0.298 0.897) 13.807 8.571 ( -3.251 2.737 0.805) 4.325 8.957 ( -0.394 4.337 3.031) 5.306 10.035 ( -1.329 -11.662 3.065) 12.131 10.419 ( 11.044 13.255 -1.266) 17.299 10.642 ( 2.432 3.485 0.882) 4.340 11.103 ( -14.755 7.127 -2.675) 16.604 11.666 ( 0.784 -13.088 -1.870) 13.245 12.176 ( -1.373 -11.100 -2.643) 11.493 13.376 ( -16.044 -1.433 4.133) 16.630 13.640 ( 2.405 16.889 -2.091) 17.187 14.249 ( 15.271 17.434 -3.378) 23.422 15.301 ( -6.297 13.001 -0.112) 14.446 15.764 ( 10.262 -14.523 6.154) 18.818 16.992 ( -2.343 6.027 11.973) 13.607 17.566 ( -3.727 3.261 5.378) 7.311 18.269 ( 9.438 -7.103 -4.237) 12.550 19.137 ( -1.127 -15.507 -9.119) 18.025 20.133 ( -2.286 0.952 -4.331) 4.989 20.172 ( 0.203 -1.206 -2.095) 2.426 20.736 ( -1.922 1.913 -1.261) 2.991 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -1.954 19.454 12.606) 23.263 2.781 ( 5.314 25.277 15.079) 29.909 3.408 ( 1.030 -4.841 0.961) 5.042 3.900 ( 5.081 6.217 3.640) 8.816 4.421 ( -11.333 19.793 4.054) 23.166 4.869 ( -11.011 -6.182 -8.408) 15.171 5.502 ( 9.027 -12.194 -1.408) 15.237 5.832 ( -12.324 -9.341 5.110) 16.286 6.183 ( 7.134 -4.726 8.904) 12.350 6.875 ( 8.990 -2.925 3.420) 10.054 8.600 ( 1.374 4.234 1.232) 4.619 9.014 ( 1.253 2.810 1.670) 3.501 9.929 ( -0.260 -11.102 3.187) 11.553 10.622 ( -4.781 2.921 -4.147) 6.971 10.738 ( 11.043 7.249 0.302) 13.213 10.986 ( -10.570 13.767 4.081) 17.830 11.495 ( -3.016 -13.995 -1.607) 14.407 12.043 ( 1.322 -11.804 -4.000) 12.533 13.127 ( -13.922 3.425 -0.934) 14.368 13.950 ( 14.218 10.565 2.241) 17.855 14.593 ( 10.400 11.342 -0.495) 15.396 15.296 ( -7.826 11.910 -0.292) 14.254 15.854 ( 6.424 -3.099 3.751) 8.059 17.013 ( -9.828 3.965 14.285) 17.787 17.585 ( -0.749 3.070 2.429) 3.986 18.262 ( 0.612 -7.276 -4.585) 8.622 19.009 ( 10.232 -16.908 -6.874) 20.924 20.064 ( -3.572 1.510 -5.223) 6.506 20.159 ( 1.051 -1.111 -2.069) 2.573 20.679 ( -4.377 0.134 -0.592) 4.419 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -1.796 10.509 13.113) 16.900 3.178 ( -0.140 21.736 13.493) 25.583 3.406 ( 4.572 -0.654 0.585) 4.656 3.986 ( 2.018 -2.275 -1.843) 3.556 4.497 ( -8.146 -3.819 -6.437) 11.062 4.728 ( 6.387 14.304 7.452) 17.348 5.453 ( 2.190 -15.140 -2.385) 15.482 5.574 ( -13.258 -2.179 4.732) 14.244 6.357 ( 9.149 3.850 -0.948) 9.972 6.967 ( 3.303 -2.304 6.729) 7.842 8.682 ( 2.753 2.666 -0.029) 3.832 9.080 ( 4.379 0.205 1.557) 4.652 9.844 ( -0.524 -9.482 2.824) 9.907 10.558 ( -4.526 6.760 -1.225) 8.227 10.839 ( -5.621 4.099 2.448) 7.375 11.024 ( -1.553 2.862 -0.730) 3.337 11.330 ( -2.065 -7.689 0.920) 8.015 11.976 ( 6.052 -7.206 -4.492) 10.427 12.977 ( -7.103 3.984 -2.690) 8.576 14.253 ( 13.436 -1.432 1.898) 13.645 14.827 ( 4.785 9.627 3.163) 11.206 15.280 ( -7.239 10.968 0.668) 13.158 15.958 ( 2.079 5.951 3.895) 7.409 16.943 ( -11.385 2.218 13.689) 17.943 17.606 ( -0.273 1.203 -1.532) 1.967 18.111 ( -6.591 -6.566 -3.909) 10.091 19.036 ( 15.461 -15.537 -6.782) 22.944 19.993 ( -3.079 2.520 -5.242) 6.581 20.160 ( 1.544 -0.900 -1.696) 2.464 20.610 ( -3.454 -0.250 0.781) 3.550 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -1.093 4.175 13.945) 14.597 3.330 ( -1.175 9.505 3.665) 10.255 3.620 ( 6.454 12.761 8.069) 16.420 3.975 ( 0.422 -0.528 -2.970) 3.046 4.236 ( -7.786 -7.073 -3.854) 11.202 4.964 ( 1.804 -6.362 5.607) 8.670 5.284 ( -2.294 -8.875 -3.223) 9.717 5.507 ( 2.183 5.241 1.760) 5.944 6.410 ( -1.968 -5.101 -7.783) 9.512 7.164 ( 10.674 14.351 8.725) 19.900 8.705 ( 0.091 -2.214 -2.102) 3.054 9.192 ( 7.691 -1.857 2.097) 8.185 9.766 ( -1.753 -4.808 3.010) 5.937 10.574 ( -2.869 6.305 -0.032) 6.927 10.737 ( -7.902 -1.070 0.155) 7.976 10.939 ( -5.857 -0.578 2.273) 6.309 11.250 ( -3.059 -4.899 -0.199) 5.779 12.065 ( 10.977 -0.455 -4.174) 11.753 12.925 ( -1.129 1.897 -2.045) 3.009 14.392 ( 7.768 -6.419 1.918) 10.258 14.922 ( -6.307 7.284 -1.413) 9.738 15.298 ( -1.536 5.891 5.005) 7.881 16.107 ( 2.537 9.740 8.521) 13.187 16.852 ( -9.419 0.222 10.159) 13.855 17.561 ( -2.499 0.360 -9.456) 9.788 17.907 ( -9.828 -3.507 1.699) 10.572 19.122 ( 15.837 -12.673 -7.219) 21.530 19.956 ( -1.058 2.957 -4.398) 5.404 20.174 ( 1.927 -0.479 -1.050) 2.246 20.572 ( -2.137 0.338 1.569) 2.673 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( -4.446 -1.984 11.130) 12.148 3.451 ( 3.429 7.506 2.307) 8.569 3.809 ( -8.210 10.412 4.621) 14.042 3.931 ( 0.496 0.266 0.648) 0.858 4.180 ( 8.666 -1.536 -2.383) 9.118 4.805 ( -10.675 -4.168 1.761) 11.595 5.173 ( 0.966 -9.430 -3.150) 9.989 5.697 ( 12.082 1.371 1.401) 12.240 6.156 ( -10.314 -12.429 -6.602) 17.448 7.633 ( 15.614 24.046 3.148) 28.843 8.622 ( -3.241 -6.012 -2.802) 7.383 9.248 ( 2.427 -11.146 2.734) 11.730 9.771 ( -0.516 7.523 1.957) 7.790 10.494 ( -6.076 -4.628 0.451) 7.651 10.632 ( -5.558 1.935 0.969) 5.965 10.921 ( 0.024 2.308 2.698) 3.551 11.132 ( -3.901 -4.266 -1.076) 5.880 12.233 ( 9.565 3.207 -3.907) 10.818 12.943 ( 3.275 -1.251 -0.032) 3.506 14.451 ( 3.164 -1.807 2.203) 4.258 14.759 ( -13.885 2.909 -6.277) 15.513 15.360 ( -0.279 -2.095 9.471) 9.704 16.310 ( 4.405 6.980 9.361) 12.480 16.747 ( -7.694 -3.238 5.701) 10.109 17.425 ( -5.666 3.381 -15.713) 17.042 17.776 ( -7.153 0.316 8.900) 11.423 19.227 ( 14.554 -9.434 -7.131) 18.753 19.957 ( 0.607 2.636 -3.587) 4.493 20.204 ( 2.387 0.226 -0.275) 2.414 20.558 ( -1.816 1.347 1.622) 2.783 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -9.610 -6.075 5.259) 12.526 3.560 ( -0.455 -0.615 7.352) 7.392 3.731 ( -6.486 9.018 -3.013) 11.510 3.995 ( -0.575 6.852 3.175) 7.574 4.327 ( 11.211 -6.791 -4.581) 13.885 4.644 ( -9.202 5.505 0.616) 10.741 5.122 ( 2.893 -2.943 -0.900) 4.224 5.796 ( -7.750 -14.108 -2.412) 16.276 5.938 ( 12.154 -1.695 -0.669) 12.290 8.086 ( 6.361 22.920 -3.634) 24.062 8.465 ( -4.642 -6.933 1.583) 8.493 9.106 ( -2.920 -16.241 2.954) 16.763 9.846 ( -5.295 12.106 -1.689) 13.321 10.409 ( 1.869 -5.363 4.127) 7.021 10.580 ( -2.135 -0.389 2.126) 3.038 10.932 ( -0.067 -2.038 -2.804) 3.467 11.088 ( 1.036 1.348 0.952) 1.948 12.388 ( 6.098 6.045 -3.392) 9.232 12.994 ( 4.907 -3.854 0.909) 6.305 14.466 ( -11.434 8.024 -1.942) 14.103 14.534 ( -0.994 -4.958 -1.787) 5.363 15.336 ( -4.296 -7.419 10.425) 13.497 16.459 ( -2.143 3.807 5.986) 7.411 16.598 ( -1.812 -8.696 -0.984) 8.937 17.289 ( -6.125 4.504 -7.030) 10.355 17.787 ( -0.849 5.075 7.321) 8.948 19.335 ( 12.355 -6.413 -6.545) 15.382 19.978 ( 1.348 2.157 -2.785) 3.771 20.254 ( 2.885 0.892 0.164) 3.024 20.548 ( -2.513 2.017 0.988) 3.371 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -14.717 -6.307 3.168) 16.322 3.510 ( -6.905 -0.152 3.638) 7.806 3.728 ( -3.246 3.888 2.759) 5.768 4.105 ( 2.265 8.020 0.378) 8.342 4.255 ( -0.602 -11.248 -11.305) 15.959 4.632 ( -0.937 3.592 2.810) 4.655 5.209 ( 6.006 3.986 -1.306) 7.326 5.571 ( -4.918 -3.966 2.046) 6.641 6.159 ( 16.657 -4.846 -0.105) 17.347 7.931 ( -30.894 4.242 -2.445) 31.280 8.591 ( 8.800 6.838 3.886) 11.803 8.975 ( 6.140 -14.834 1.632) 16.137 9.776 ( -11.967 8.341 -2.078) 14.734 10.459 ( 2.605 -3.178 3.692) 5.524 10.618 ( 7.547 -1.799 2.711) 8.218 10.892 ( 1.688 -2.506 -5.970) 6.691 11.148 ( 2.204 2.988 0.223) 3.720 12.495 ( 0.504 7.246 -3.235) 7.951 13.034 ( 4.669 -3.873 -0.842) 6.124 14.300 ( -7.930 2.201 -0.463) 8.243 14.558 ( 1.232 1.394 2.602) 3.199 15.219 ( -6.067 -7.894 6.681) 11.990 16.248 ( -17.518 -8.648 6.280) 20.520 16.633 ( 6.723 1.072 -9.058) 11.331 17.243 ( -1.092 0.590 4.735) 4.895 17.907 ( 4.080 5.884 2.898) 7.724 19.439 ( 9.913 -2.850 -5.265) 11.580 20.009 ( 1.571 1.968 -1.662) 3.017 20.314 ( 2.931 0.920 -0.190) 3.078 20.518 ( -3.678 1.801 -0.236) 4.102 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -18.483 -3.787 5.948) 19.782 3.408 ( -7.298 0.982 0.147) 7.365 3.651 ( -15.525 1.076 4.511) 16.203 4.002 ( 5.200 -15.359 -6.596) 17.506 4.314 ( 3.842 13.988 -3.562) 14.937 4.669 ( 5.992 -5.330 0.932) 8.073 5.314 ( 2.547 4.221 -1.975) 5.311 5.592 ( -0.085 7.354 4.681) 8.718 6.383 ( 15.895 -5.920 0.163) 16.963 7.337 ( -41.440 2.982 3.317) 41.679 8.731 ( 2.652 0.613 2.705) 3.838 9.054 ( 9.916 -6.249 2.408) 11.966 9.651 ( -7.428 5.178 -0.419) 9.064 10.457 ( 0.056 -4.212 2.028) 4.675 10.776 ( 5.231 -0.280 3.922) 6.544 10.863 ( 6.436 -2.985 -11.061) 13.140 11.217 ( 3.595 2.384 -1.243) 4.489 12.495 ( -5.859 7.135 -2.483) 9.560 13.073 ( 3.621 -0.618 -3.467) 5.051 14.256 ( -0.572 -0.136 4.463) 4.502 14.628 ( 2.997 0.982 4.757) 5.707 15.091 ( -4.457 -4.568 2.711) 6.934 15.871 ( -20.266 -10.007 6.488) 23.515 16.659 ( 0.276 2.873 -7.706) 8.229 17.313 ( 5.547 -2.894 7.440) 9.721 18.039 ( 6.667 1.361 -2.413) 7.220 19.564 ( 8.492 2.807 -2.755) 9.358 20.047 ( 1.504 1.889 -0.667) 2.504 20.358 ( 1.968 0.319 -1.787) 2.678 20.455 ( -4.575 0.319 -1.134) 4.724 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -18.534 0.561 14.258) 23.391 3.148 ( -25.329 -3.651 -0.878) 25.606 3.442 ( -4.169 -0.389 -0.109) 4.188 4.039 ( 10.971 -6.076 0.047) 12.542 4.487 ( 5.980 10.542 -5.576) 13.341 4.772 ( 10.704 -5.149 3.068) 12.268 5.342 ( -7.888 6.567 1.505) 10.374 5.640 ( -5.004 6.134 0.410) 7.927 6.559 ( 11.119 -7.105 1.837) 13.323 6.761 ( -32.016 5.591 6.828) 33.210 8.791 ( 2.154 1.682 2.022) 3.400 9.072 ( -5.174 -3.040 3.731) 7.066 9.701 ( 9.306 1.009 1.832) 9.538 10.409 ( -2.095 -4.086 1.032) 4.706 10.688 ( -7.920 -0.700 -7.925) 11.226 11.019 ( 14.494 -3.399 -1.408) 14.953 11.306 ( 6.651 1.266 -3.698) 7.715 12.456 ( -6.425 9.211 -0.068) 11.230 13.084 ( -0.484 3.246 -4.662) 5.701 14.289 ( 2.174 -5.736 5.584) 8.295 14.673 ( -2.871 -1.708 3.028) 4.509 15.070 ( 3.549 -0.008 2.947) 4.613 15.503 ( -16.810 -6.965 8.850) 20.234 16.623 ( -2.661 2.030 -3.594) 4.911 17.429 ( 6.284 -3.137 5.952) 9.206 18.110 ( 7.760 -5.284 -8.162) 12.440 19.759 ( 8.747 9.638 -0.670) 13.032 20.079 ( 0.673 1.385 -1.054) 1.866 20.337 ( -2.787 0.950 -8.248) 8.758 20.384 ( -1.474 -3.510 4.038) 5.549 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -14.002 18.357 4.869) 23.595 2.741 ( -5.853 14.476 23.944) 28.585 3.353 ( -0.275 -3.254 0.664) 3.332 4.152 ( 4.345 -7.195 -10.030) 13.086 4.838 ( 12.491 -2.372 1.359) 12.787 5.104 ( -1.669 3.681 0.641) 4.092 5.206 ( -19.146 16.504 7.585) 26.391 5.852 ( 7.995 -6.844 7.851) 13.130 6.357 ( -2.159 -2.585 -8.794) 9.417 6.500 ( -7.641 -3.138 9.934) 12.920 8.697 ( -3.645 -4.915 -0.005) 6.119 9.051 ( -3.727 6.768 3.181) 8.356 10.036 ( 4.567 -9.979 4.825) 11.988 10.298 ( -1.404 9.455 -6.132) 11.356 10.480 ( 2.696 5.314 5.209) 7.915 11.133 ( 7.658 -9.664 -2.145) 12.515 11.494 ( 10.079 -2.935 -4.837) 11.558 12.453 ( -10.685 2.668 -2.152) 11.221 13.541 ( -5.559 -8.566 -6.629) 12.175 13.809 ( 9.654 22.569 2.474) 24.672 14.220 ( -18.462 -1.418 3.084) 18.771 15.353 ( -0.253 9.791 4.885) 10.945 15.494 ( 3.791 -14.589 12.155) 19.363 16.879 ( 6.006 7.670 5.565) 11.219 17.643 ( 3.431 -3.218 9.120) 10.262 17.858 ( 10.639 -4.079 -7.644) 13.720 19.422 ( -12.249 -9.249 -14.407) 21.051 20.159 ( -0.381 0.443 -4.197) 4.237 20.215 ( -1.771 -0.031 -1.472) 2.303 20.651 ( 6.304 3.850 1.832) 7.611 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -1.288 29.533 4.991) 29.979 2.931 ( -4.695 11.689 22.938) 26.169 3.334 ( 1.109 -2.125 1.180) 2.672 4.019 ( -3.941 -6.088 -8.363) 11.070 4.939 ( -10.193 3.936 11.402) 15.793 5.039 ( 0.511 4.642 -11.056) 12.002 5.228 ( 1.583 0.187 1.347) 2.087 5.862 ( 1.833 -11.351 6.598) 13.256 6.364 ( -9.092 1.859 6.356) 11.248 6.418 ( 10.548 -4.007 0.424) 11.292 8.633 ( -0.887 -1.192 0.823) 1.698 9.061 ( -4.452 6.089 3.047) 8.135 9.973 ( -1.588 -11.220 4.569) 12.218 10.402 ( 5.227 11.348 -4.205) 13.182 10.627 ( 3.914 3.445 4.873) 7.137 11.144 ( 5.159 -5.251 -3.801) 8.284 11.545 ( 4.090 -5.997 -4.124) 8.349 12.218 ( -14.400 -3.860 -1.520) 14.986 13.455 ( 2.838 -2.834 -1.090) 4.156 13.915 ( -18.968 7.037 -1.874) 20.318 14.210 ( 11.006 19.728 2.108) 22.688 15.464 ( -1.933 -3.218 9.581) 10.291 15.528 ( 9.116 0.931 3.928) 9.970 17.089 ( 5.164 6.951 6.926) 11.089 17.706 ( -2.188 0.262 12.358) 12.553 17.966 ( 12.588 -5.766 -6.601) 15.339 19.038 ( -10.259 -12.160 -13.431) 20.821 20.127 ( -0.147 -0.725 -3.674) 3.748 20.172 ( -2.166 0.317 -2.245) 3.136 20.742 ( 1.586 0.941 -1.264) 2.236 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 5.914 25.874 3.880) 26.823 3.060 ( -4.753 10.065 14.804) 18.521 3.383 ( 2.161 2.094 5.212) 6.019 3.878 ( -0.983 -3.694 -2.600) 4.623 4.820 ( -13.921 5.083 3.283) 15.180 4.916 ( -5.521 -6.415 -7.451) 11.276 5.272 ( 5.267 -5.492 -0.171) 7.611 5.873 ( 4.072 -5.285 2.694) 7.195 6.245 ( -11.864 7.556 9.219) 16.817 6.631 ( 15.818 -5.745 1.284) 16.878 8.648 ( 0.339 3.127 1.757) 3.603 9.053 ( -3.097 1.690 1.824) 3.972 9.862 ( -1.583 -10.391 4.406) 11.397 10.593 ( 7.055 5.837 -3.847) 9.932 10.716 ( 1.654 4.552 3.155) 5.780 11.172 ( 2.661 0.378 -2.241) 3.500 11.474 ( -4.410 -3.353 -1.033) 5.636 11.942 ( -8.098 -8.847 -2.907) 12.341 13.393 ( -11.124 -1.382 3.066) 11.621 13.826 ( 4.225 6.342 -5.887) 9.629 14.568 ( 9.601 14.970 3.472) 18.120 15.454 ( -1.965 -1.910 8.944) 9.355 15.753 ( 9.130 9.278 -0.351) 13.021 17.238 ( -1.124 6.280 7.755) 10.042 17.716 ( -7.078 2.841 11.429) 13.740 18.063 ( 10.542 -7.875 -6.200) 14.546 18.725 ( -1.606 -15.008 -10.246) 18.243 20.093 ( -1.377 0.329 -4.053) 4.294 20.128 ( -0.807 -0.623 -2.061) 2.299 20.721 ( -2.133 -0.970 -1.923) 3.031 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -2.643 5.499 6.088) 8.619 3.320 ( 7.211 10.407 3.141) 13.044 3.463 ( -3.775 10.486 7.403) 13.379 3.926 ( 5.561 1.671 3.276) 6.667 4.566 ( -10.733 -5.624 -9.516) 15.407 4.818 ( -1.641 -1.667 6.720) 7.115 5.256 ( 3.122 -11.175 -1.925) 11.762 5.829 ( -9.407 1.236 3.825) 10.230 6.296 ( 1.122 12.922 -0.668) 12.988 6.829 ( 12.876 -5.145 5.201) 14.809 8.707 ( 0.023 4.711 1.498) 4.943 9.014 ( 0.210 -4.936 0.746) 4.997 9.786 ( 0.011 -7.473 3.440) 8.226 10.640 ( -0.559 2.522 -1.255) 2.872 10.842 ( 2.768 2.952 -1.063) 4.184 11.185 ( -0.508 -0.374 0.877) 1.080 11.364 ( -9.436 4.584 2.521) 10.789 11.780 ( 3.335 -9.579 -4.470) 11.085 13.190 ( -13.521 4.091 -0.656) 14.141 13.969 ( 13.292 -6.325 -2.253) 14.891 14.858 ( 6.723 12.195 3.029) 14.251 15.467 ( -3.562 1.683 9.397) 10.189 15.985 ( 6.519 13.351 -2.790) 15.117 17.245 ( -10.407 4.633 8.870) 14.438 17.668 ( -6.406 3.450 0.649) 7.305 18.073 ( 2.255 -7.321 -0.931) 7.716 18.604 ( 11.297 -16.321 -6.860) 21.002 20.037 ( -3.004 1.626 -4.133) 5.362 20.116 ( 1.300 -1.051 -1.318) 2.128 20.655 ( -2.779 -1.208 -0.952) 3.177 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 0.508 3.294 6.184) 7.025 3.420 ( -0.471 2.124 3.027) 3.727 3.645 ( 6.555 10.724 4.089) 13.217 4.003 ( -2.347 1.551 2.107) 3.515 4.318 ( -8.510 -1.430 -4.416) 9.694 4.869 ( 5.392 -5.848 6.194) 10.082 5.156 ( 1.348 -13.001 -2.807) 13.368 5.695 ( -11.532 6.312 3.205) 13.532 6.361 ( -2.115 1.648 -7.805) 8.253 7.106 ( 15.579 8.541 7.166) 19.157 8.714 ( -3.271 0.732 -0.411) 3.377 9.011 ( 7.023 -8.469 -0.116) 11.002 9.762 ( 0.935 -2.603 3.542) 4.494 10.668 ( -0.296 5.722 -0.178) 5.732 10.773 ( -5.959 -5.655 -3.067) 8.769 11.175 ( -6.706 4.987 5.120) 9.801 11.252 ( -6.911 -1.807 0.464) 7.159 11.840 ( 12.214 -1.850 -2.985) 12.708 13.036 ( -9.077 4.991 -2.033) 10.556 14.105 ( 14.274 -11.297 0.179) 18.204 15.037 ( 0.873 8.903 -2.083) 9.185 15.455 ( -6.201 0.854 9.365) 11.265 16.197 ( 4.172 12.468 2.011) 13.301 17.109 ( -13.844 1.424 6.358) 15.301 17.575 ( -4.847 4.296 -12.625) 14.189 18.015 ( -4.271 -4.296 8.174) 10.174 18.668 ( 17.515 -14.524 -5.473) 23.402 19.988 ( -2.286 2.295 -3.336) 4.650 20.131 ( 1.970 -0.518 -0.507) 2.099 20.609 ( -1.556 -0.255 0.348) 1.614 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -2.606 0.711 7.533) 8.003 3.461 ( 2.222 1.061 2.621) 3.597 3.865 ( 6.440 3.780 -5.322) 9.170 3.941 ( -0.146 -1.190 2.884) 3.124 4.212 ( -7.471 6.939 2.102) 10.411 4.891 ( -0.705 -5.077 3.963) 6.480 5.046 ( 1.068 -9.191 -1.866) 9.439 5.649 ( -2.294 5.162 2.037) 6.005 6.171 ( -9.433 -8.050 -7.234) 14.357 7.563 ( 18.932 15.771 3.693) 24.915 8.624 ( -4.720 -2.751 -2.305) 5.930 9.037 ( 7.487 -12.679 -1.389) 14.790 9.832 ( 3.416 4.685 4.670) 7.444 10.564 ( -8.624 -6.413 -2.142) 10.958 10.719 ( -1.344 5.814 -0.825) 6.024 11.087 ( -10.510 1.163 5.234) 11.799 11.138 ( -3.754 -1.607 -0.781) 4.157 12.057 ( 13.414 2.244 -0.711) 13.619 12.958 ( -4.109 3.739 -1.326) 5.712 14.242 ( 13.536 -8.830 0.501) 16.169 14.987 ( -11.170 4.271 -7.241) 13.980 15.424 ( -2.912 -2.736 10.570) 11.300 16.364 ( 1.775 4.581 6.130) 7.856 16.918 ( -11.856 0.045 1.194) 11.916 17.452 ( -4.494 6.755 -17.903) 19.656 17.958 ( -6.694 -1.057 12.488) 14.209 18.819 ( 18.134 -10.672 -4.293) 21.475 19.968 ( -0.905 2.470 -2.226) 3.446 20.165 ( 2.414 0.255 0.167) 2.434 20.600 ( -0.756 1.143 1.135) 1.779 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -9.475 -2.821 4.994) 11.076 3.541 ( 4.622 -2.412 4.221) 6.708 3.799 ( -1.899 -0.962 -9.906) 10.133 4.083 ( 7.078 -2.916 3.428) 8.388 4.209 ( -5.308 11.760 2.548) 13.152 4.825 ( -5.710 2.061 0.675) 6.108 5.029 ( 4.419 -2.323 0.745) 5.048 5.703 ( 2.680 -1.805 1.598) 3.605 5.884 ( -8.175 -6.385 -4.862) 11.456 8.032 ( 18.575 11.862 0.547) 22.046 8.495 ( -5.137 -3.661 -1.134) 6.409 8.976 ( 1.270 -13.519 -2.522) 13.811 9.996 ( 2.749 10.284 3.222) 11.122 10.366 ( -4.592 -7.871 -0.497) 9.126 10.692 ( -7.176 3.615 -0.664) 8.063 10.956 ( -5.604 -3.474 1.832) 6.843 11.097 ( -1.220 2.372 0.854) 2.801 12.297 ( 10.770 4.932 0.357) 11.851 12.947 ( -0.359 1.983 -0.078) 2.017 14.382 ( 10.402 -4.550 -1.532) 11.457 14.728 ( -15.193 0.590 -5.591) 16.200 15.398 ( -3.630 -6.938 10.485) 13.086 16.406 ( 2.517 -4.339 -1.617) 5.270 16.734 ( -11.954 0.778 1.789) 12.112 17.361 ( -3.458 6.874 -12.258) 14.473 17.930 ( -5.007 1.788 9.851) 11.194 19.006 ( 16.142 -6.008 -2.673) 17.430 19.976 ( 0.192 2.413 -1.078) 2.650 20.217 ( 2.766 0.888 0.329) 2.923 20.608 ( -1.419 2.062 1.079) 2.726 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( -12.420 -3.351 2.768) 13.158 3.581 ( -0.053 -3.467 1.496) 3.776 3.716 ( 2.725 -4.284 -6.692) 8.400 4.084 ( -2.418 -7.550 0.333) 7.934 4.285 ( -3.109 15.052 2.355) 15.549 4.750 ( -6.420 -0.261 0.047) 6.426 5.139 ( 6.284 4.715 -0.948) 7.913 5.637 ( -3.060 0.334 2.409) 3.909 5.878 ( 9.412 -2.673 -1.354) 9.877 8.286 ( -6.358 4.010 -4.261) 8.641 8.477 ( 14.376 -5.348 7.424) 17.041 8.800 ( -5.785 -7.521 -3.588) 10.144 10.045 ( -10.554 9.030 -0.921) 13.920 10.341 ( 9.674 -5.619 1.685) 11.314 10.578 ( -5.653 -0.504 -1.412) 5.849 10.867 ( -2.985 -2.767 2.383) 4.716 11.136 ( 1.830 3.100 -0.769) 3.681 12.501 ( 6.183 7.071 -0.554) 9.410 12.970 ( 1.052 1.277 0.029) 1.654 14.399 ( -4.143 -3.833 -2.942) 6.365 14.557 ( -0.392 0.446 -0.068) 0.598 15.283 ( -6.459 -8.556 6.428) 12.500 16.347 ( 0.079 -13.081 -4.211) 13.743 16.591 ( -7.424 7.856 -0.377) 10.816 17.306 ( -3.308 1.256 -0.924) 3.657 17.939 ( -1.054 2.026 2.338) 3.268 19.209 ( 13.206 -0.665 -0.319) 13.227 20.005 ( 0.838 2.500 0.010) 2.637 20.274 ( 2.773 1.000 -0.226) 2.957 20.594 ( -3.210 1.775 0.175) 3.672 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -13.771 -0.338 3.693) 14.261 3.503 ( -2.970 -2.308 -3.572) 5.187 3.721 ( 6.314 -10.990 -1.604) 12.776 3.898 ( -11.394 -2.897 0.261) 11.759 4.415 ( -0.424 15.417 0.216) 15.424 4.593 ( -4.786 -8.671 0.552) 9.920 5.294 ( 5.728 8.562 -3.667) 10.935 5.711 ( -0.365 9.736 7.126) 12.070 6.043 ( 15.999 -5.347 -2.294) 17.024 7.994 ( -29.279 2.408 2.384) 29.475 8.632 ( 12.210 -17.653 -1.968) 21.554 8.801 ( 7.654 6.575 5.625) 11.552 9.890 ( -13.090 4.404 -1.506) 13.893 10.448 ( 0.404 -0.447 1.332) 1.462 10.553 ( 10.422 -3.562 -4.789) 12.010 10.823 ( -1.612 -1.935 2.482) 3.536 11.183 ( 1.442 1.886 -2.250) 3.271 12.611 ( -0.515 7.491 -2.367) 7.873 13.017 ( 2.406 3.561 -0.959) 4.404 14.294 ( -3.191 -4.090 4.838) 7.093 14.581 ( 3.369 -2.197 -1.233) 4.206 15.134 ( -4.994 -5.844 1.831) 7.902 16.109 ( -12.277 -9.808 2.439) 15.901 16.623 ( 1.622 7.193 -5.682) 9.309 17.275 ( -0.028 -3.998 6.570) 7.691 17.940 ( 1.777 -2.113 -5.295) 5.972 19.437 ( 10.941 5.223 2.116) 12.307 20.049 ( 0.984 2.706 0.730) 2.970 20.318 ( 2.042 0.549 -1.615) 2.661 20.531 ( -5.052 0.065 -1.007) 5.152 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -14.313 4.184 9.486) 17.674 3.418 ( -7.044 0.412 -1.233) 7.163 3.504 ( -9.831 -12.248 -5.402) 16.608 3.854 ( 4.390 -1.531 3.527) 5.836 4.463 ( 0.788 -1.583 -3.124) 3.590 4.607 ( 6.401 5.606 2.320) 8.820 5.431 ( 2.761 8.446 -2.124) 9.136 5.817 ( -3.679 8.689 5.498) 10.921 6.257 ( 16.172 -5.084 -2.290) 17.106 7.464 ( -37.572 3.501 5.057) 38.073 8.705 ( 10.452 -4.679 -1.512) 11.551 9.012 ( 8.099 -3.203 8.333) 12.054 9.720 ( -8.002 1.870 -1.074) 8.288 10.423 ( -2.006 -0.740 0.800) 2.283 10.669 ( 6.832 -2.054 -11.066) 13.167 10.819 ( 2.862 -1.439 5.552) 6.410 11.197 ( 2.557 -1.018 -3.417) 4.388 12.630 ( -3.795 8.530 -2.201) 9.592 13.098 ( 1.865 7.274 -2.200) 7.825 14.237 ( -1.321 -8.998 5.961) 10.874 14.618 ( 4.694 -4.717 -0.522) 6.675 15.055 ( -0.271 -1.952 2.503) 3.186 15.825 ( -16.960 -2.985 7.005) 18.591 16.659 ( -1.008 5.037 -4.375) 6.748 17.323 ( 5.674 -5.403 8.243) 11.373 17.890 ( 3.702 -7.089 -10.769) 13.414 19.702 ( 9.986 9.976 2.574) 14.348 20.091 ( 0.129 2.656 0.298) 2.676 20.322 ( -0.187 0.146 -4.995) 5.001 20.425 ( -4.839 -2.870 0.456) 5.645 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -8.824 9.620 5.900) 14.325 3.108 ( -6.970 13.842 15.430) 21.870 3.330 ( 1.337 -3.263 2.276) 4.197 3.948 ( 5.656 -3.877 -6.304) 9.315 4.598 ( 12.965 -3.175 1.853) 13.476 5.010 ( 7.200 -0.581 -2.356) 7.598 5.566 ( -6.875 -5.762 0.874) 9.013 5.818 ( -3.012 1.997 5.561) 6.632 6.261 ( -0.266 -10.410 -6.665) 12.364 6.904 ( -22.218 20.513 5.721) 30.776 8.675 ( -2.108 -10.016 -0.133) 10.237 9.119 ( 5.692 3.460 -0.795) 6.708 9.899 ( 5.770 -0.760 4.018) 7.072 10.365 ( -3.464 3.884 -2.439) 5.747 10.548 ( 0.454 3.246 4.393) 5.481 10.917 ( 5.282 -9.181 1.311) 10.672 11.282 ( 8.149 -1.128 -3.506) 8.943 12.617 ( -6.114 5.116 -6.082) 10.027 13.455 ( -3.160 -12.126 -7.519) 14.614 13.904 ( 7.162 18.591 3.198) 20.178 14.397 ( -5.478 -4.770 4.053) 8.318 15.426 ( 2.992 -9.953 18.228) 20.983 15.579 ( -11.683 9.506 4.147) 15.622 16.863 ( 5.295 4.989 1.705) 7.473 17.400 ( 13.321 -8.398 -5.518) 16.686 17.791 ( 3.277 4.245 7.909) 9.556 19.468 ( -13.314 -7.457 -15.260) 21.581 20.147 ( -0.984 -0.450 -3.278) 3.452 20.237 ( -1.365 1.097 -1.954) 2.624 20.588 ( 6.539 2.903 2.962) 7.744 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -1.900 18.045 4.471) 18.688 3.236 ( -4.703 9.987 17.195) 20.433 3.335 ( -0.326 0.301 3.221) 3.252 3.927 ( 1.167 -3.435 -7.599) 8.420 4.766 ( 10.428 -5.176 -1.389) 11.725 5.090 ( 4.921 -2.784 -2.030) 6.008 5.353 ( -10.580 -6.591 2.000) 12.625 5.807 ( -1.907 -6.952 4.228) 8.358 6.160 ( 7.352 -6.239 -6.505) 11.632 6.817 ( -19.859 22.794 8.403) 31.378 8.588 ( 1.642 -5.943 0.630) 6.198 9.203 ( -1.122 3.995 1.879) 4.555 9.932 ( -1.091 -4.472 2.960) 5.473 10.381 ( 2.825 4.616 -3.263) 6.319 10.660 ( 2.742 4.542 7.562) 9.237 10.934 ( 7.711 -7.534 -2.647) 11.100 11.355 ( 6.866 -5.066 -4.380) 9.591 12.453 ( -14.204 0.784 -3.925) 14.757 13.326 ( 3.756 -5.701 -5.455) 8.739 14.219 ( 1.381 7.197 2.328) 7.689 14.258 ( -5.081 9.162 3.078) 10.919 15.414 ( -0.333 -7.715 12.962) 15.088 15.617 ( -1.693 9.665 5.658) 11.326 17.049 ( 9.185 3.688 3.737) 10.580 17.538 ( 15.029 -6.196 -4.993) 17.006 17.918 ( -0.157 3.496 11.642) 12.156 19.061 ( -14.535 -8.716 -15.637) 23.059 20.103 ( -0.673 -1.361 -2.719) 3.114 20.203 ( -2.297 1.039 -2.558) 3.591 20.698 ( 3.513 0.578 -0.479) 3.592 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 3.565 14.986 2.457) 15.599 3.282 ( -5.376 4.250 6.490) 9.438 3.448 ( 2.866 10.568 11.006) 15.525 3.851 ( -1.976 -2.075 -3.090) 4.214 4.789 ( 2.953 -9.318 -7.456) 12.293 5.019 ( -9.890 -5.040 0.759) 11.126 5.182 ( 1.108 -9.351 -0.603) 9.435 5.759 ( 3.184 -3.257 0.896) 4.642 6.293 ( 16.148 -7.330 -0.291) 17.736 6.755 ( -20.809 24.370 8.126) 33.060 8.621 ( 4.959 -1.372 1.707) 5.421 9.175 ( -6.534 0.266 3.388) 7.365 9.846 ( -3.964 -5.744 2.244) 7.331 10.494 ( 7.271 2.805 -2.342) 8.138 10.770 ( 0.563 4.631 5.296) 7.058 11.013 ( 9.435 -3.523 -3.599) 10.695 11.377 ( 6.224 -6.096 -4.143) 9.647 12.143 ( -18.560 -1.244 -2.602) 18.783 13.361 ( 7.134 -6.172 -0.067) 9.434 14.004 ( -17.000 4.889 -2.361) 17.845 14.560 ( 10.657 12.114 3.355) 16.479 15.465 ( 2.792 -3.551 12.072) 12.890 15.754 ( 3.574 11.934 1.159) 12.512 17.257 ( 8.013 3.028 4.641) 9.743 17.705 ( 15.169 -5.660 -6.478) 17.439 17.981 ( -5.881 2.694 15.407) 16.710 18.646 ( -12.425 -10.059 -14.645) 21.680 20.072 ( 0.144 -1.071 -2.095) 2.358 20.152 ( -2.753 0.705 -2.868) 4.037 20.714 ( 0.063 -1.375 -2.026) 2.449 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( -3.686 4.028 0.662) 5.500 3.333 ( 3.329 3.467 4.035) 6.275 3.655 ( -2.322 11.517 2.831) 12.085 3.878 ( 6.608 4.200 7.027) 10.521 4.602 ( -6.912 -6.109 -11.853) 15.019 4.829 ( -4.199 -9.939 5.752) 12.227 5.112 ( 1.240 -10.605 -1.737) 10.818 5.837 ( 5.261 -0.042 -0.074) 5.262 6.498 ( 13.752 -6.494 -0.204) 15.210 6.714 ( -14.639 23.923 7.133) 28.940 8.720 ( 4.677 1.583 1.450) 5.146 9.038 ( -8.258 -6.313 3.538) 10.981 9.751 ( -1.832 -4.570 1.029) 5.030 10.610 ( 5.082 0.605 -0.170) 5.121 10.850 ( 0.531 4.648 -0.269) 4.686 11.096 ( 6.062 -3.105 -0.035) 6.811 11.430 ( 8.211 -1.701 -4.450) 9.493 11.818 ( -17.300 -0.995 -0.099) 17.329 13.382 ( -1.378 -4.330 3.314) 5.624 13.795 ( -5.969 -0.271 -4.669) 7.583 14.853 ( 9.049 11.105 0.092) 14.326 15.549 ( 1.000 -3.229 14.297) 14.691 15.974 ( 7.635 14.706 -3.802) 17.000 17.402 ( 1.469 4.245 2.684) 5.232 17.797 ( 5.515 -5.870 -13.338) 15.581 17.986 ( -6.555 4.122 19.305) 20.800 18.325 ( -1.796 -13.648 -9.291) 16.608 20.059 ( -0.061 0.157 -2.020) 2.027 20.099 ( -1.786 0.100 -1.812) 2.546 20.668 ( -1.586 -1.825 -1.825) 3.029 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -0.396 2.411 1.664) 2.956 3.431 ( 2.668 0.479 2.742) 3.856 3.683 ( -0.670 4.323 -0.428) 4.396 4.058 ( 0.770 2.064 2.806) 3.567 4.416 ( -5.140 3.631 -4.943) 8.002 4.768 ( 2.895 -7.303 5.986) 9.876 4.996 ( 0.544 -12.624 -1.732) 12.754 5.874 ( -2.080 0.860 1.038) 2.479 6.488 ( -9.394 4.169 -3.847) 10.974 6.945 ( 13.686 11.070 6.090) 18.627 8.795 ( 1.257 1.500 -0.519) 2.025 8.854 ( -4.824 -10.124 1.817) 11.361 9.724 ( 2.053 -2.510 1.681) 3.653 10.688 ( 2.576 3.071 -0.005) 4.008 10.813 ( -4.601 -2.532 -2.115) 5.661 11.172 ( 2.721 -0.454 -0.046) 2.759 11.536 ( -7.839 7.098 0.779) 10.603 11.593 ( 5.586 -5.275 -0.682) 7.713 13.266 ( -11.679 3.617 0.696) 12.246 13.776 ( 10.118 -9.065 -1.120) 13.630 15.054 ( 4.655 9.170 -5.485) 11.656 15.581 ( -2.779 -5.886 13.378) 14.877 16.221 ( 7.196 12.128 -0.803) 14.125 17.374 ( -10.865 3.423 -1.344) 11.471 17.635 ( -6.367 3.182 -18.029) 19.384 18.093 ( -0.058 -0.381 18.725) 18.729 18.232 ( 11.753 -14.542 -3.889) 19.098 20.030 ( -2.313 1.741 -2.518) 3.837 20.096 ( 1.523 -0.394 0.555) 1.668 20.623 ( -0.944 -0.816 -0.636) 1.401 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 2.845 2.099 4.133) 5.439 3.441 ( -0.642 -4.140 1.433) 4.428 3.744 ( 5.722 1.706 -5.040) 7.814 3.993 ( -5.453 -1.064 -1.543) 5.766 4.399 ( -4.478 7.474 1.133) 8.786 4.799 ( 4.109 -7.760 1.082) 8.847 4.940 ( 3.986 -4.800 4.140) 7.488 5.816 ( -6.978 3.067 1.748) 7.820 6.281 ( -13.929 0.054 -5.054) 14.818 7.349 ( 20.104 4.681 3.949) 21.016 8.703 ( -6.639 -1.513 0.249) 6.814 8.803 ( 4.720 -7.027 -4.786) 9.724 9.797 ( 5.998 -0.297 4.066) 7.252 10.636 ( -7.681 -3.422 -3.053) 8.946 10.789 ( 0.905 6.147 0.935) 6.284 11.116 ( -4.055 -4.427 -4.110) 7.276 11.396 ( -12.801 4.604 6.630) 15.134 11.814 ( 16.729 0.346 -0.241) 16.734 13.124 ( -10.103 5.853 -0.617) 11.692 13.906 ( 15.150 -8.436 0.280) 17.343 15.099 ( -3.208 5.273 -9.927) 11.690 15.509 ( -4.681 -9.002 11.700) 15.487 16.393 ( 2.186 1.248 4.802) 5.422 17.144 ( -13.971 3.774 -7.317) 16.216 17.492 ( -4.606 8.874 -20.544) 22.848 18.123 ( -4.829 -4.136 15.996) 17.214 18.395 ( 18.553 -7.432 1.734) 20.061 20.003 ( -1.689 2.187 -1.209) 3.016 20.133 ( 2.190 0.291 1.186) 2.507 20.619 ( 0.295 0.895 0.557) 1.094 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -6.729 -0.794 3.451) 7.604 3.422 ( 6.269 -6.080 1.458) 8.854 3.736 ( -2.538 -3.303 -12.070) 12.768 3.961 ( 5.865 -2.828 2.535) 6.987 4.425 ( -3.384 11.217 1.071) 11.765 4.818 ( 4.325 -2.912 0.586) 5.247 5.004 ( 0.819 1.110 5.153) 5.334 5.751 ( -4.639 1.550 1.261) 5.051 6.003 ( -14.276 0.198 -3.513) 14.704 7.709 ( 22.106 -8.697 2.574) 23.894 8.575 ( -7.474 -0.065 -1.189) 7.569 8.811 ( 5.496 -0.737 -6.817) 8.788 9.949 ( 9.277 -1.212 4.403) 10.340 10.447 ( -9.840 -0.815 -2.298) 10.137 10.841 ( -5.130 6.429 -0.984) 8.284 10.979 ( -1.927 -4.823 -1.112) 5.312 11.261 ( -11.396 2.943 4.525) 12.610 12.113 ( 16.252 2.095 2.196) 16.533 13.043 ( -6.197 6.249 -0.466) 8.813 14.101 ( 15.346 -4.727 -1.512) 16.129 14.914 ( -12.528 -1.832 -8.370) 15.178 15.437 ( -2.161 -8.452 9.972) 13.250 16.331 ( -3.729 -11.706 -0.837) 12.314 16.964 ( -10.535 7.835 -4.500) 13.879 17.403 ( -2.846 9.564 -17.384) 20.044 18.075 ( -5.405 -3.898 10.025) 12.038 18.678 ( 17.627 -2.016 5.338) 18.527 20.002 ( -0.724 2.497 0.193) 2.607 20.185 ( 2.451 0.765 1.101) 2.794 20.646 ( 0.097 2.181 0.981) 2.393 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( -10.887 -2.830 0.748) 11.274 3.455 ( 4.724 -8.642 -7.924) 12.640 3.587 ( 0.474 -6.681 -1.745) 6.922 4.054 ( 3.935 -3.815 3.519) 6.513 4.509 ( -2.311 13.446 1.289) 13.704 4.817 ( -4.395 0.618 -2.425) 5.057 5.093 ( 4.369 4.638 2.685) 6.915 5.674 ( -2.064 -2.053 -1.868) 3.458 5.869 ( -5.301 7.014 2.558) 9.157 7.942 ( 22.981 -22.880 1.271) 32.454 8.452 ( -6.013 -1.383 1.077) 6.264 8.872 ( -0.067 10.986 -7.025) 13.041 10.098 ( 10.353 -8.921 -0.169) 13.667 10.292 ( -9.706 7.193 0.694) 12.100 10.708 ( -9.305 0.343 -4.091) 10.170 10.943 ( -4.352 -1.890 6.294) 7.882 11.175 ( -3.650 4.324 0.593) 5.690 12.403 ( 12.788 3.965 1.788) 13.507 13.025 ( -3.165 6.461 -0.237) 7.198 14.276 ( 10.479 -1.854 -4.660) 11.617 14.631 ( -10.693 -5.845 -2.299) 12.401 15.345 ( -5.814 -8.421 6.068) 11.897 16.139 ( 1.617 -15.522 -6.190) 16.789 16.848 ( -11.148 8.923 -1.306) 14.339 17.356 ( -2.479 4.654 -8.477) 9.984 17.994 ( -4.429 -3.623 2.711) 6.332 18.998 ( 15.300 3.133 6.983) 17.108 20.028 ( 0.112 2.751 1.332) 3.058 20.239 ( 2.447 0.809 0.313) 2.596 20.658 ( -2.013 2.071 0.322) 2.906 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( -9.408 -0.886 -1.129) 9.517 3.354 ( 3.526 -10.375 -9.450) 14.469 3.584 ( 3.715 -7.710 3.207) 9.140 4.020 ( -5.813 -3.184 2.798) 7.194 4.575 ( -3.097 0.550 1.439) 3.459 4.692 ( -10.138 9.818 -1.467) 14.189 5.238 ( 6.695 7.156 -3.670) 10.464 5.735 ( 10.943 0.977 -3.654) 11.578 5.912 ( -3.220 8.972 7.283) 11.996 8.059 ( 21.039 -32.149 0.562) 38.425 8.357 ( -7.972 4.924 1.976) 9.576 8.924 ( -4.079 13.170 -1.625) 13.883 10.035 ( -3.136 -7.998 -4.988) 9.934 10.341 ( 3.993 5.871 0.705) 7.135 10.550 ( -6.899 0.668 -1.715) 7.140 10.873 ( -4.264 -3.741 7.070) 9.064 11.192 ( -0.915 4.133 -1.376) 4.452 12.613 ( 6.428 5.048 -1.366) 8.286 13.059 ( -0.886 8.131 0.006) 8.180 14.326 ( -0.492 -2.423 1.209) 2.752 14.469 ( 0.807 -7.647 -3.266) 8.354 15.176 ( -6.416 -6.404 0.755) 9.096 16.030 ( 4.935 -14.462 -2.630) 15.505 16.766 ( -8.418 10.262 -0.857) 13.301 17.297 ( -2.835 -1.747 -0.018) 3.330 17.888 ( -3.224 -4.338 -4.101) 6.785 19.328 ( 12.767 7.445 7.279) 16.475 20.073 ( 0.623 3.023 2.028) 3.693 20.281 ( 1.967 0.416 -1.106) 2.294 20.611 ( -4.935 0.246 -1.107) 5.064 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -6.667 3.303 2.169) 7.750 3.283 ( 4.567 -9.381 -5.200) 11.657 3.554 ( -1.411 -7.703 1.530) 7.979 3.881 ( -6.576 -2.386 1.127) 7.086 4.426 ( -4.974 -6.726 -0.418) 8.376 4.722 ( -4.550 14.226 1.845) 15.049 5.407 ( 6.958 8.657 -6.222) 12.731 5.894 ( 10.420 -5.908 -1.418) 12.062 6.042 ( 1.318 13.491 5.398) 14.591 7.925 ( -8.305 -18.607 1.010) 20.401 8.394 ( 7.892 1.560 0.391) 8.054 8.997 ( 0.735 5.805 5.278) 7.880 9.845 ( -7.287 -5.048 -5.538) 10.452 10.452 ( 3.503 -0.200 -3.451) 4.922 10.500 ( 0.153 4.844 0.825) 4.916 10.830 ( -1.234 -3.896 6.709) 7.855 11.178 ( -2.245 1.212 -2.909) 3.869 12.702 ( 0.954 5.353 -4.091) 6.804 13.156 ( 1.011 11.388 0.058) 11.433 14.225 ( -5.228 -12.018 3.081) 13.463 14.466 ( 6.925 -3.511 -1.288) 7.870 15.062 ( -2.033 -2.263 0.281) 3.055 15.960 ( -0.447 -8.854 2.801) 9.297 16.751 ( -4.595 9.263 -1.149) 10.404 17.251 ( 0.968 -5.907 4.461) 7.465 17.756 ( -2.470 -5.105 -7.880) 9.708 19.649 ( 10.739 10.042 5.518) 15.704 20.125 ( 0.236 3.244 1.955) 3.794 20.293 ( 0.627 -0.116 -3.329) 3.390 20.489 ( -6.519 -2.870 -1.668) 7.316 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 5.831 -5.201 4.539) 9.037 3.326 ( -2.359 4.798 4.795) 7.182 3.395 ( -3.473 9.201 7.640) 12.453 3.833 ( 3.439 -0.442 -1.643) 3.837 4.384 ( 9.913 -1.159 0.919) 10.022 4.871 ( 3.148 -5.018 -1.711) 6.166 5.602 ( -3.912 1.002 -4.950) 6.389 5.837 ( 3.826 -6.335 1.262) 7.507 6.182 ( -7.762 -9.062 -1.220) 11.994 7.485 ( -13.340 20.907 -0.409) 24.804 8.545 ( 4.640 -10.938 1.111) 11.933 8.949 ( 6.557 -3.964 -6.032) 9.751 9.876 ( 6.962 6.494 3.734) 10.227 10.478 ( -7.882 1.684 -1.322) 8.167 10.540 ( 2.261 -1.887 3.930) 4.911 10.844 ( -1.948 -3.944 5.839) 7.311 11.187 ( 3.033 2.091 -0.142) 3.687 12.664 ( 0.067 4.060 -9.911) 10.711 13.356 ( -4.159 -12.677 -3.995) 13.927 13.931 ( 8.078 12.072 -0.956) 14.556 14.462 ( -3.795 0.334 3.817) 5.393 15.383 ( 5.422 -8.954 19.942) 22.523 15.848 ( -5.176 3.975 3.664) 7.484 16.855 ( -1.211 1.320 0.760) 1.945 17.094 ( 10.238 -3.212 -7.343) 13.002 17.849 ( 2.265 6.587 9.862) 12.074 19.530 ( -12.678 -6.113 -15.479) 20.922 20.146 ( -1.571 -0.945 -1.935) 2.665 20.254 ( -0.431 1.782 -2.417) 3.034 20.535 ( 5.177 2.361 4.463) 7.231 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 3.668 0.337 5.261) 6.422 3.391 ( -0.738 7.055 2.818) 7.633 3.474 ( -3.038 6.617 11.520) 13.628 3.869 ( 1.255 3.369 -4.100) 5.453 4.546 ( 9.839 -2.829 -1.987) 10.428 4.901 ( 8.620 -7.454 0.003) 11.396 5.435 ( -9.057 -7.389 -2.160) 11.887 5.845 ( -3.614 -1.817 2.154) 4.583 5.951 ( 1.160 -12.809 -5.128) 13.846 7.457 ( -19.273 28.603 2.483) 34.580 8.493 ( 1.886 -8.356 1.243) 8.656 9.087 ( 14.052 -4.267 -2.264) 14.858 10.007 ( -2.986 6.930 1.956) 7.796 10.383 ( -1.964 -1.899 0.621) 2.802 10.614 ( 7.555 -1.639 1.838) 7.946 10.817 ( -0.688 -2.778 4.244) 5.119 11.227 ( 1.830 -1.375 -1.733) 2.871 12.608 ( -6.146 1.834 -7.042) 9.525 13.188 ( 0.522 -7.732 -4.808) 9.120 14.165 ( 9.672 6.226 -0.069) 11.503 14.447 ( -4.688 4.899 3.855) 7.800 15.441 ( 0.197 -11.561 19.504) 22.674 15.832 ( -7.121 12.148 1.641) 14.177 16.915 ( 8.298 -2.701 1.878) 8.927 17.233 ( 12.385 0.484 -6.667) 14.074 18.003 ( 2.241 2.813 11.727) 12.266 19.154 ( -14.839 -4.587 -14.876) 21.506 20.095 ( -1.511 -1.480 -1.485) 2.584 20.234 ( -1.828 1.412 -2.948) 3.745 20.642 ( 3.673 0.515 0.977) 3.835 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 6.284 1.473 4.501) 7.869 3.405 ( -4.124 2.263 0.045) 4.705 3.613 ( 0.433 12.036 12.357) 17.255 3.880 ( -2.021 4.360 -3.245) 5.798 4.599 ( 5.356 -6.830 -6.158) 10.642 4.984 ( 7.310 -7.995 1.363) 10.919 5.147 ( -11.841 -9.525 -3.934) 15.697 5.728 ( -1.657 -2.842 1.096) 3.468 5.981 ( 11.175 -7.710 -0.825) 13.601 7.413 ( -21.330 27.943 3.840) 35.363 8.510 ( 5.828 -3.343 1.842) 6.967 9.207 ( 4.407 -6.554 3.186) 8.516 9.941 ( -9.146 3.630 -2.082) 10.058 10.395 ( 4.567 -2.099 2.089) 5.443 10.775 ( 12.346 -2.373 -2.721) 12.863 10.831 ( 0.443 2.009 5.133) 5.530 11.214 ( 2.427 -4.507 -3.296) 6.088 12.395 ( -14.242 -0.715 -4.827) 15.055 13.170 ( 6.438 -6.180 -1.875) 9.119 14.283 ( -8.117 3.166 0.074) 8.713 14.494 ( 7.409 7.748 1.479) 10.822 15.467 ( 1.986 -7.248 16.563) 18.189 15.876 ( -3.095 14.516 -0.963) 14.874 17.078 ( 13.871 -7.114 3.825) 16.051 17.414 ( 11.381 4.007 -8.627) 14.833 18.105 ( 1.231 -3.728 13.276) 13.844 18.776 ( -17.595 -0.099 -12.035) 21.317 20.056 ( -0.674 -1.004 -0.807) 1.454 20.188 ( -2.659 0.893 -2.961) 4.078 20.677 ( 1.255 -1.304 -1.212) 2.178 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 6.650 0.336 3.172) 7.375 3.327 ( -5.945 0.781 -0.191) 5.999 3.787 ( -1.798 7.395 -1.601) 7.777 3.895 ( 2.105 5.736 7.866) 9.960 4.541 ( 0.512 -5.251 -7.159) 8.893 4.830 ( -5.561 -12.355 -3.565) 14.010 5.011 ( -1.078 -4.597 1.392) 4.922 5.764 ( 4.195 1.186 1.229) 4.529 6.145 ( 16.858 -7.128 1.399) 18.357 7.322 ( -22.038 23.995 3.284) 32.745 8.620 ( 7.323 -1.038 1.266) 7.504 9.136 ( -6.038 -9.273 6.448) 12.807 9.796 ( -7.361 0.556 -3.781) 8.294 10.505 ( 7.571 -0.268 1.962) 7.826 10.860 ( 3.293 0.236 -3.619) 4.899 10.969 ( 7.066 1.646 3.940) 8.256 11.213 ( 7.008 -5.113 -5.242) 10.136 12.111 ( -16.321 0.513 -1.465) 16.395 13.226 ( 8.262 -8.151 1.455) 11.697 14.056 ( -18.481 3.042 -1.108) 18.762 14.762 ( 12.170 9.072 -2.799) 15.435 15.549 ( 3.538 -7.677 15.663) 17.798 16.006 ( 2.767 15.966 -3.744) 16.631 17.261 ( 15.095 -10.958 3.272) 18.938 17.555 ( 6.451 6.709 -13.594) 16.475 18.125 ( 1.502 -12.393 9.261) 15.544 18.450 ( -19.382 8.240 -1.071) 21.088 20.044 ( 0.305 -0.367 -0.118) 0.491 20.134 ( -2.745 0.775 -2.214) 3.611 20.655 ( -0.483 -1.971 -1.857) 2.751 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( -2.998 -1.189 0.660) 3.292 3.378 ( 3.996 0.655 0.881) 4.144 3.734 ( -3.924 0.971 -3.874) 5.599 4.038 ( 3.627 -0.075 1.816) 4.057 4.484 ( -0.516 2.277 -2.566) 3.469 4.690 ( 0.756 -5.807 -1.297) 5.998 4.924 ( -3.635 -5.279 2.355) 6.828 5.853 ( 4.251 -0.399 1.122) 4.415 6.390 ( 15.020 -3.025 1.252) 15.373 7.190 ( -17.502 15.366 2.409) 23.414 8.690 ( 3.032 -4.342 -2.164) 5.721 8.973 ( -8.009 -4.759 6.739) 11.498 9.694 ( -1.559 -0.779 -2.741) 3.248 10.644 ( 6.174 2.343 1.692) 6.817 10.837 ( -2.214 -2.604 -2.532) 4.254 11.117 ( 4.795 2.365 1.202) 5.480 11.295 ( 12.672 -3.837 -6.297) 14.661 11.864 ( -15.063 2.226 3.032) 15.526 13.301 ( 7.555 -7.480 3.432) 11.172 13.781 ( -15.306 3.447 -1.792) 15.791 14.991 ( 8.224 8.812 -8.472) 14.733 15.590 ( 1.096 -11.089 12.870) 17.024 16.213 ( 6.246 12.479 -1.055) 13.995 17.367 ( 9.901 -13.031 -4.841) 17.066 17.587 ( -0.694 9.210 -16.313) 18.746 18.010 ( -0.609 -9.306 -3.824) 10.080 18.346 ( -10.668 7.117 20.591) 24.258 20.052 ( 0.229 0.648 -0.791) 1.048 20.096 ( -1.396 0.633 0.478) 1.606 20.619 ( -0.392 -1.196 -1.297) 1.807 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( 2.164 -2.939 1.613) 3.990 3.412 ( 0.776 -1.849 -1.495) 2.501 3.664 ( -0.065 -0.982 -5.255) 5.347 4.031 ( -1.972 -2.457 -3.604) 4.786 4.524 ( -1.041 5.612 2.681) 6.306 4.650 ( 3.189 -7.023 -3.411) 8.433 4.911 ( 1.428 2.919 6.858) 7.589 5.890 ( 0.103 -1.246 0.672) 1.419 6.489 ( -5.516 3.105 -1.758) 6.569 7.132 ( 3.581 -4.415 3.659) 6.760 8.655 ( 1.648 -1.404 -4.103) 4.639 8.853 ( -7.975 -0.515 1.934) 8.222 9.705 ( 4.493 -1.592 0.530) 4.796 10.705 ( -4.425 -0.950 -2.265) 5.061 10.805 ( 3.730 3.874 2.198) 5.810 11.121 ( -2.785 -1.477 -4.971) 5.886 11.503 ( 16.351 -1.437 -3.821) 16.853 11.691 ( -11.436 2.330 8.181) 14.253 13.326 ( -3.852 -0.174 2.259) 4.469 13.668 ( 2.349 0.351 -0.449) 2.417 15.093 ( 2.237 6.186 -12.055) 13.732 15.518 ( -2.241 -14.451 9.405) 17.387 16.385 ( 2.860 1.246 3.855) 4.959 17.256 ( -2.677 -4.253 -17.006) 17.733 17.525 ( -4.269 8.748 -17.335) 19.881 18.013 ( 8.973 -5.668 2.596) 10.926 18.398 ( -5.582 4.029 22.692) 23.713 20.045 ( -1.370 1.960 -0.812) 2.525 20.115 ( 1.413 0.315 2.526) 2.912 20.615 ( 1.064 0.543 -0.243) 1.219 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( 5.634 -8.893 -3.651) 11.143 3.360 ( -3.257 -2.565 0.590) 4.187 3.681 ( 4.086 3.119 -5.761) 7.721 3.867 ( -4.978 -11.761 -3.923) 13.360 4.557 ( -1.462 8.565 -0.898) 8.735 4.724 ( 6.918 2.305 2.530) 7.718 5.036 ( 2.559 4.144 7.023) 8.547 5.834 ( -4.855 -2.080 -0.985) 5.373 6.305 ( -17.068 6.859 -1.744) 18.477 7.215 ( 17.920 -23.675 2.913) 29.835 8.699 ( -4.489 -0.012 -3.677) 5.803 8.732 ( 1.031 8.879 -2.776) 9.359 9.786 ( 7.272 -4.986 1.399) 8.927 10.591 ( -6.980 1.767 -1.036) 7.274 10.937 ( 3.102 3.394 3.258) 5.636 10.983 ( -6.821 0.075 -5.190) 8.572 11.492 ( -9.535 0.094 -0.249) 9.539 11.846 ( 16.900 0.103 5.837) 17.880 13.240 ( -8.573 5.866 0.164) 10.389 13.813 ( 13.028 -1.015 0.122) 13.068 15.004 ( -7.421 -2.295 -10.792) 13.297 15.413 ( 0.046 -11.093 7.056) 13.147 16.299 ( -7.428 -13.673 -0.295) 15.564 17.114 ( -2.794 5.941 -14.001) 15.463 17.434 ( -3.616 8.725 -17.132) 19.563 18.107 ( 2.329 -4.820 5.516) 7.686 18.550 ( 5.285 4.454 18.730) 19.965 20.046 ( -1.049 2.502 0.767) 2.819 20.164 ( 1.983 0.497 2.225) 3.021 20.656 ( 1.746 2.171 0.430) 2.819 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 0.358 -12.540 -13.915) 18.735 3.286 ( -1.650 -4.799 0.549) 5.105 3.569 ( -6.479 -9.099 0.627) 11.188 3.884 ( 12.200 -1.862 0.358) 12.347 4.630 ( -1.246 9.054 -1.322) 9.235 4.873 ( 3.103 9.473 -3.505) 10.566 5.145 ( -0.070 4.250 9.261) 10.190 5.690 ( -5.899 -3.543 -4.166) 8.044 6.130 ( -12.118 9.960 2.272) 15.850 7.284 ( 22.166 -33.360 0.523) 40.056 8.563 ( -6.962 0.721 -0.531) 7.019 8.908 ( 5.200 14.034 -5.208) 15.847 9.848 ( 7.828 -8.856 -1.338) 11.895 10.508 ( -7.422 5.808 1.313) 9.516 10.797 ( -6.592 -4.242 -3.912) 8.761 11.041 ( -2.317 4.208 5.261) 7.124 11.338 ( -8.803 3.188 -0.007) 9.362 12.176 ( 17.892 0.393 3.815) 18.298 13.181 ( -6.232 8.092 -0.561) 10.228 14.033 ( 13.444 0.141 -2.202) 13.624 14.729 ( -11.213 -8.570 -4.703) 14.875 15.366 ( -1.226 -7.203 4.411) 8.535 15.967 ( -6.773 -18.224 -7.924) 20.995 17.056 ( -5.281 5.578 -5.615) 9.515 17.375 ( -1.811 7.654 -14.343) 16.358 18.059 ( -5.577 -4.162 5.280) 8.735 18.866 ( 12.909 6.385 14.457) 20.406 20.067 ( -0.392 2.744 1.860) 3.338 20.213 ( 1.966 0.448 1.267) 2.381 20.700 ( -0.051 2.482 0.019) 2.483 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -0.888 -13.442 -16.451) 21.263 3.228 ( -0.810 -3.919 1.871) 4.417 3.446 ( 2.468 -12.842 1.652) 13.181 4.047 ( 3.634 0.205 4.968) 6.159 4.614 ( -4.806 1.566 -5.068) 7.157 4.965 ( -3.688 16.014 -3.864) 16.881 5.219 ( -0.544 3.494 4.296) 5.564 5.593 ( 2.251 -0.600 -6.554) 6.956 6.129 ( -4.522 11.593 6.970) 14.263 7.331 ( 24.438 -36.570 -1.229) 44.001 8.499 ( -3.751 3.999 2.093) 5.869 9.066 ( 1.092 11.554 -3.475) 12.114 9.853 ( 5.230 -9.075 -5.301) 11.740 10.461 ( -5.899 5.157 1.103) 7.912 10.652 ( -5.187 -0.941 -0.413) 5.288 10.982 ( -7.673 -2.877 6.400) 10.398 11.293 ( -4.679 7.750 -0.230) 9.056 12.469 ( 13.870 1.099 0.375) 13.919 13.187 ( -3.024 10.215 -0.478) 10.664 14.211 ( 9.421 0.454 -3.850) 10.188 14.454 ( -8.730 -10.742 0.079) 13.843 15.234 ( -7.481 -6.407 -0.056) 9.849 15.747 ( 6.197 -15.978 -5.099) 17.880 16.974 ( -6.584 3.726 -2.166) 7.869 17.327 ( -3.017 4.282 -8.774) 10.219 17.933 ( -7.508 -3.152 2.708) 8.581 19.243 ( 13.391 8.642 11.723) 19.785 20.107 ( 0.370 2.875 2.344) 3.728 20.250 ( 1.583 0.122 -0.098) 1.591 20.682 ( -3.825 0.802 -1.540) 4.200 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 5.784 -10.873 -12.572) 17.599 3.211 ( -0.351 -1.377 4.339) 4.566 3.396 ( 5.676 -13.503 1.017) 14.683 4.024 ( -8.941 0.150 3.458) 9.588 4.476 ( -6.677 -1.864 -4.193) 8.102 4.997 ( -9.239 13.053 2.103) 16.129 5.311 ( 7.823 6.885 -6.066) 12.058 5.650 ( 8.647 -1.175 -6.722) 11.015 6.244 ( -2.357 12.038 8.440) 14.890 7.385 ( 24.491 -34.885 -2.191) 42.680 8.530 ( -2.762 8.549 3.295) 9.570 9.114 ( -3.392 5.595 -0.169) 6.545 9.777 ( 0.028 -7.218 -7.970) 10.753 10.427 ( -1.446 1.559 -0.649) 2.223 10.619 ( -2.974 4.739 4.256) 7.029 10.875 ( -4.920 -3.909 6.211) 8.836 11.263 ( -6.220 4.760 -1.248) 7.931 12.646 ( 7.178 1.450 -3.975) 8.333 13.275 ( -0.109 13.554 -0.171) 13.556 14.182 ( -5.997 -16.548 -3.433) 17.933 14.350 ( 5.676 1.448 3.094) 6.624 15.086 ( -3.551 -1.211 -1.781) 4.153 15.752 ( 10.803 -13.271 0.910) 17.136 16.900 ( -3.839 1.376 -0.507) 4.110 17.250 ( -4.714 1.778 -4.674) 6.873 17.795 ( -7.722 -0.964 1.380) 7.903 19.603 ( 11.295 9.800 8.329) 17.117 20.161 ( 0.855 3.106 2.133) 3.863 20.263 ( 0.691 -0.279 -1.555) 1.725 20.565 ( -7.295 -2.572 -3.207) 8.374 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 17.746 -11.216 5.254) 21.641 3.412 ( 5.406 2.827 -0.029) 6.101 3.520 ( 1.494 5.350 7.981) 9.724 3.778 ( 0.091 -0.709 -0.599) 0.932 4.337 ( -2.478 6.145 1.293) 6.751 4.817 ( -4.186 -7.473 0.416) 8.575 5.615 ( 4.759 3.904 -11.661) 13.186 5.677 ( 0.449 -8.166 2.621) 8.588 6.302 ( -11.736 -4.622 1.286) 12.679 7.420 ( 29.621 -2.086 -4.069) 29.971 8.601 ( -14.592 6.915 0.424) 16.153 8.823 ( -0.753 -5.795 -6.749) 8.927 9.765 ( 11.610 1.846 1.368) 11.836 10.505 ( 0.493 -2.555 3.649) 4.482 10.670 ( -10.558 2.249 0.952) 10.837 10.955 ( -5.463 0.690 10.471) 11.831 11.183 ( 0.674 3.359 0.142) 3.429 12.579 ( 4.715 1.035 -12.819) 13.698 13.311 ( -5.276 -11.020 -0.316) 12.222 13.893 ( 5.930 10.499 -4.277) 12.794 14.579 ( -5.056 3.091 3.216) 6.743 15.311 ( 6.463 -7.740 16.658) 19.473 15.785 ( 12.370 -6.180 1.976) 13.968 16.833 ( 6.372 -2.150 1.007) 6.800 17.060 ( -9.743 5.067 -2.859) 11.348 17.971 ( -2.011 7.955 8.137) 11.556 19.579 ( -10.758 -4.763 -16.111) 19.949 20.156 ( -1.697 -1.099 -0.921) 2.222 20.257 ( 0.276 1.767 -2.229) 2.857 20.520 ( 3.113 2.299 6.155) 7.271 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 12.595 -8.307 8.013) 17.083 3.469 ( 0.806 1.845 -2.769) 3.423 3.629 ( -2.327 10.551 7.004) 12.876 3.859 ( 5.798 2.375 1.106) 6.362 4.406 ( 3.147 3.116 -0.469) 4.453 4.726 ( 3.024 -8.083 2.090) 8.880 5.497 ( -8.422 -5.440 -5.911) 11.639 5.696 ( 7.805 -8.137 -1.952) 11.442 6.034 ( -14.273 -3.139 -0.371) 14.619 7.828 ( 11.854 13.874 -2.856) 18.471 8.457 ( -8.076 1.440 3.576) 8.949 8.781 ( 8.497 -5.065 -6.250) 11.701 10.006 ( 12.354 1.647 2.376) 12.688 10.436 ( -7.847 -1.777 -2.371) 8.388 10.565 ( -2.565 -1.812 4.574) 5.548 10.904 ( -6.325 1.418 7.182) 9.675 11.217 ( -0.332 -0.205 0.648) 0.756 12.602 ( 2.814 1.965 -9.620) 10.214 13.126 ( -4.574 -7.169 -1.986) 8.733 14.063 ( 7.715 6.303 -2.539) 10.280 14.565 ( -2.461 3.201 2.985) 5.021 15.400 ( 3.676 -12.753 17.586) 22.032 15.954 ( 7.176 4.519 0.010) 8.480 16.833 ( -3.408 -4.383 2.507) 6.092 17.070 ( 7.066 6.263 -3.417) 10.041 18.055 ( 0.271 1.416 7.275) 7.416 19.272 ( -11.887 -0.345 -13.348) 17.877 20.106 ( -2.021 -1.289 -0.276) 2.413 20.253 ( -0.944 1.603 -3.244) 3.739 20.607 ( 2.299 0.421 3.027) 3.824 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 8.904 -5.625 7.042) 12.670 3.460 ( -0.883 0.536 -2.784) 2.970 3.752 ( 2.067 7.581 3.201) 8.485 3.967 ( -1.619 8.865 3.737) 9.756 4.421 ( 2.760 -6.204 -4.535) 8.165 4.805 ( 8.216 -4.303 3.106) 9.781 5.226 ( -10.463 -7.231 -5.920) 14.028 5.695 ( 3.194 -9.330 0.323) 9.867 5.853 ( -4.269 1.492 -0.468) 4.546 7.988 ( -12.492 23.787 -1.362) 26.902 8.422 ( 1.399 -1.217 4.007) 4.416 8.933 ( 17.581 -8.815 -1.591) 19.731 10.152 ( -7.344 7.130 -2.256) 10.482 10.286 ( 3.985 -9.194 2.555) 10.341 10.580 ( 4.935 -1.767 -0.172) 5.245 10.887 ( -2.136 2.020 6.033) 6.711 11.175 ( -2.145 -2.565 -1.448) 3.644 12.532 ( -6.684 -0.604 -5.955) 8.972 13.034 ( 1.678 -4.385 -1.665) 4.982 14.263 ( 9.720 6.467 -1.077) 11.724 14.560 ( -3.550 2.102 1.131) 4.278 15.427 ( 3.210 -12.392 15.553) 20.143 16.078 ( -2.112 13.555 -2.410) 13.928 16.796 ( 7.268 -10.160 0.945) 12.528 17.269 ( 9.676 7.401 -2.817) 12.504 18.076 ( 0.954 -7.694 5.679) 9.610 19.024 ( -13.836 6.565 -7.309) 16.969 20.066 ( -1.574 -0.566 0.295) 1.698 20.220 ( -2.108 0.974 -2.984) 3.781 20.641 ( 1.103 -1.315 0.383) 1.758 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 7.750 -5.989 2.383) 10.080 3.430 ( -2.574 1.971 -0.011) 3.242 3.835 ( 0.477 3.406 -3.119) 4.643 4.018 ( -4.802 6.636 5.678) 9.966 4.372 ( 5.205 -10.614 -4.620) 12.692 4.798 ( -3.713 -3.376 -4.265) 6.586 5.047 ( -3.410 -2.032 1.103) 4.120 5.706 ( 3.652 -2.477 1.454) 4.646 5.895 ( 8.405 0.957 1.493) 8.590 7.899 ( -20.583 17.182 0.230) 26.813 8.509 ( 5.684 0.919 2.249) 6.181 9.070 ( 7.487 -9.960 3.388) 12.913 9.950 ( -12.530 0.739 -5.655) 13.767 10.388 ( 7.993 -1.539 4.723) 9.410 10.686 ( 10.018 -1.610 -4.195) 10.979 10.944 ( 2.447 1.985 4.526) 5.515 11.102 ( -0.943 -3.004 -2.924) 4.297 12.337 ( -11.903 -0.347 -2.029) 12.079 13.047 ( 5.241 -5.326 0.436) 7.485 14.336 ( -10.225 2.663 -1.251) 10.640 14.621 ( 10.328 6.753 -2.468) 12.584 15.470 ( 5.019 -11.290 12.757) 17.760 16.147 ( -3.166 15.690 -3.405) 16.364 16.868 ( 14.512 -14.186 -2.121) 20.404 17.471 ( 7.502 8.711 -5.877) 12.911 18.014 ( 0.782 -13.034 3.930) 13.636 18.850 ( -15.319 11.282 2.025) 19.132 20.047 ( -0.739 -0.026 0.574) 0.937 20.174 ( -2.491 0.885 -1.643) 3.112 20.629 ( 0.019 -2.119 -1.157) 2.415 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 5.062 -8.923 -3.606) 10.875 3.418 ( -2.839 2.581 1.946) 4.303 3.795 ( -4.903 1.778 -4.408) 6.829 4.008 ( -1.114 -0.779 1.105) 1.752 4.352 ( 7.821 -10.998 -1.719) 13.604 4.709 ( -4.175 5.361 -4.812) 8.326 5.003 ( -3.493 1.287 4.128) 5.559 5.742 ( 5.255 -5.650 0.453) 7.730 6.161 ( 14.279 6.734 4.026) 16.292 7.638 ( -22.209 2.790 -0.220) 22.385 8.608 ( 3.242 1.069 -0.499) 3.450 9.058 ( -2.128 -4.962 6.213) 8.231 9.738 ( -7.442 -0.891 -5.930) 9.557 10.564 ( 8.310 3.254 3.961) 9.764 10.779 ( 4.573 -2.603 -3.419) 6.275 11.029 ( 8.134 -4.166 -3.218) 9.688 11.095 ( 2.337 2.760 -0.182) 3.621 12.129 ( -13.050 0.743 2.383) 13.287 13.108 ( 7.624 -6.104 2.600) 10.107 14.108 ( -17.163 3.817 -0.984) 17.610 14.856 ( 10.870 8.001 -8.809) 16.118 15.498 ( 3.478 -12.912 8.919) 16.073 16.257 ( 1.733 11.312 -0.032) 11.444 16.943 ( 14.939 -15.869 -8.642) 23.446 17.591 ( 2.323 8.021 -10.435) 13.365 17.930 ( 0.387 -8.267 2.443) 8.629 18.757 ( -14.081 10.819 13.025) 22.023 20.047 ( 0.260 0.284 0.160) 0.417 20.141 ( -2.195 1.183 0.798) 2.618 20.599 ( 0.010 -1.681 -1.604) 2.324 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 4.111 -10.578 -6.540) 13.098 3.393 ( -1.124 -0.686 -1.231) 1.802 3.679 ( -5.718 -1.659 -2.434) 6.432 3.987 ( 0.013 -2.658 -3.392) 4.309 4.429 ( 10.496 -5.064 2.637) 11.949 4.667 ( -4.169 5.627 -3.795) 7.965 5.022 ( -2.903 7.947 5.258) 9.961 5.788 ( 7.092 -6.727 -0.624) 9.795 6.467 ( 9.632 6.803 3.945) 12.435 7.223 ( -19.084 -13.950 -1.569) 23.691 8.644 ( 0.037 5.050 -2.103) 5.471 8.986 ( -6.877 -1.807 4.003) 8.159 9.645 ( 0.372 -0.214 -3.689) 3.714 10.730 ( -0.068 0.921 -0.950) 1.325 10.777 ( 5.151 2.046 3.402) 6.503 11.086 ( 4.245 -2.274 -7.198) 8.661 11.215 ( 10.501 -0.262 -0.801) 10.535 11.949 ( -12.157 0.754 6.338) 13.731 13.212 ( 8.979 -5.944 3.921) 11.459 13.878 ( -15.214 8.194 -1.359) 17.334 15.005 ( 6.205 5.950 -12.591) 15.246 15.430 ( 0.103 -15.441 5.176) 16.286 16.376 ( 2.012 0.383 3.809) 4.325 16.951 ( 12.051 -12.155 -17.229) 24.286 17.575 ( -2.578 5.022 -12.065) 13.320 17.937 ( 2.427 2.734 2.186) 4.259 18.736 ( -11.418 7.458 20.449) 24.579 20.062 ( 0.685 1.136 -0.281) 1.356 20.136 ( -1.084 1.015 3.216) 3.542 20.591 ( 1.493 -0.214 -1.291) 1.985 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 4.852 -13.201 -11.714) 18.303 3.364 ( -0.215 -2.198 -1.218) 2.522 3.575 ( 0.897 -7.887 -2.281) 8.259 3.876 ( -6.552 -3.133 -3.728) 8.164 4.580 ( 5.791 3.788 -3.101) 7.583 4.711 ( 3.233 7.627 7.150) 10.943 5.104 ( -0.421 8.214 3.775) 9.050 5.817 ( 3.353 -4.829 -2.678) 6.460 6.600 ( -7.566 8.411 -0.607) 11.329 6.792 ( -1.149 -30.296 0.986) 30.333 8.709 ( 1.209 6.086 -1.958) 6.507 8.864 ( -6.885 2.607 0.177) 7.364 9.660 ( 3.186 -1.638 -1.981) 4.093 10.680 ( -2.642 0.503 -0.567) 2.749 10.934 ( 1.794 1.512 4.152) 4.769 11.054 ( -1.057 4.680 -4.403) 6.512 11.375 ( 12.640 -5.989 -6.188) 15.295 11.845 ( -6.090 2.137 10.234) 12.099 13.308 ( 4.725 -4.148 2.818) 6.890 13.778 ( -5.565 10.254 -1.061) 11.715 14.993 ( -2.300 -2.939 -10.796) 11.423 15.319 ( 1.302 -10.765 2.431) 11.113 16.290 ( -6.702 -13.864 -1.066) 15.436 16.950 ( 10.132 -2.067 -18.968) 21.604 17.499 ( -4.195 6.181 -10.494) 12.881 18.065 ( 4.543 5.452 3.328) 7.838 18.760 ( -7.739 5.185 22.212) 24.086 20.085 ( -0.015 2.292 0.586) 2.366 20.161 ( 0.578 0.339 3.528) 3.591 20.632 ( 3.213 1.559 -0.756) 3.650 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 3.695 -16.739 -19.166) 25.713 3.314 ( -3.404 -2.992 2.586) 5.218 3.436 ( 2.345 -23.238 -6.497) 24.243 3.825 ( 0.087 9.645 3.751) 10.349 4.693 ( 3.535 7.292 -2.826) 8.582 4.903 ( 2.487 10.524 1.273) 10.889 5.212 ( 3.063 4.419 6.265) 8.256 5.743 ( -5.601 -2.507 -5.035) 7.938 6.381 ( -6.355 -7.375 -3.245) 10.262 6.687 ( 7.643 -20.512 3.197) 22.122 8.666 ( -4.967 -1.136 -0.448) 5.114 8.927 ( 3.570 10.456 -1.994) 11.227 9.681 ( 3.521 -2.323 -2.451) 4.879 10.645 ( -3.575 2.261 -0.933) 4.332 10.843 ( -6.472 -4.457 0.774) 7.897 11.151 ( -0.442 6.986 3.091) 7.652 11.415 ( 2.856 -1.228 -5.905) 6.674 11.955 ( 9.235 1.415 8.767) 12.812 13.316 ( -1.990 1.680 -0.715) 2.700 13.870 ( 6.250 5.508 0.121) 8.331 14.773 ( -8.441 -10.896 -3.831) 14.306 15.301 ( 2.940 -3.994 -0.377) 4.974 15.921 ( -13.036 -17.190 -9.291) 23.489 16.995 ( 7.064 -0.697 -13.763) 15.486 17.435 ( -4.219 7.103 -8.592) 11.920 18.162 ( -2.627 3.257 5.035) 6.547 18.891 ( 2.869 6.308 19.617) 20.805 20.112 ( -0.449 2.581 1.679) 3.112 20.198 ( 1.353 0.020 2.314) 2.680 20.702 ( 2.584 2.472 -0.889) 3.685 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 2.663 -19.678 -22.901) 30.311 3.167 ( 1.977 -23.361 2.302) 23.558 3.314 ( -0.451 -1.919 0.249) 1.987 4.025 ( 6.700 9.822 4.815) 12.828 4.722 ( -6.310 3.768 -4.233) 8.481 5.013 ( 3.838 9.815 -8.040) 13.256 5.349 ( 0.744 3.071 8.943) 9.485 5.561 ( -5.838 -2.282 -7.842) 10.039 6.306 ( 1.904 -0.503 1.125) 2.268 6.639 ( 11.595 -23.974 1.277) 26.661 8.600 ( -3.183 2.215 1.271) 4.081 9.056 ( 5.191 2.216 -2.375) 6.123 9.717 ( 2.835 2.190 -3.320) 4.885 10.558 ( -4.488 -2.082 -4.554) 6.724 10.732 ( -5.128 -2.381 6.287) 8.455 11.130 ( -6.918 0.990 2.348) 7.372 11.447 ( -2.209 9.168 -1.393) 9.533 12.216 ( 15.339 -0.620 3.408) 15.725 13.305 ( -1.425 5.835 -2.679) 6.576 14.048 ( 9.595 2.079 0.396) 9.826 14.496 ( -9.523 -13.053 0.645) 16.171 15.287 ( -3.108 -2.891 -0.250) 4.252 15.525 ( -4.506 -13.419 -10.390) 17.559 16.976 ( 1.434 -3.827 -9.226) 10.091 17.396 ( -3.398 7.421 -6.897) 10.686 18.107 ( -9.718 1.593 6.708) 11.916 19.197 ( 11.081 8.569 15.171) 20.649 20.142 ( -0.020 2.383 1.707) 2.931 20.230 ( 1.218 -0.128 1.172) 1.696 20.727 ( -1.375 1.346 -2.378) 3.059 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 8.784 -18.247 -19.076) 27.821 3.045 ( 8.809 -23.632 3.836) 25.511 3.316 ( -0.804 2.313 2.187) 3.283 4.199 ( -3.452 7.218 5.796) 9.880 4.560 ( -7.862 2.311 -8.790) 12.018 5.137 ( 7.449 6.754 -9.323) 13.712 5.313 ( -8.061 -1.389 5.863) 10.064 5.514 ( 3.803 2.291 -8.209) 9.332 6.398 ( 3.421 3.440 4.811) 6.832 6.651 ( 17.873 -24.624 -0.205) 30.427 8.625 ( 0.379 5.047 2.797) 5.783 9.107 ( 4.212 -4.940 -2.625) 7.003 9.742 ( -2.765 5.572 -4.976) 7.966 10.456 ( -1.695 -1.776 -2.286) 3.355 10.685 ( -1.287 -4.793 8.284) 9.656 11.028 ( -9.383 4.142 2.538) 10.566 11.444 ( -7.601 7.876 -1.196) 11.011 12.450 ( 12.668 -1.492 -2.536) 13.005 13.372 ( 2.489 9.911 -3.331) 10.748 14.122 ( -6.761 -11.219 -2.247) 13.290 14.296 ( 4.957 -3.929 6.223) 8.873 15.146 ( -5.968 1.696 -4.064) 7.417 15.451 ( 8.707 -11.069 -0.420) 14.090 16.876 ( -0.754 -6.663 -6.425) 9.287 17.366 ( -4.883 7.065 -4.373) 9.638 17.990 ( -10.788 2.819 7.001) 13.166 19.562 ( 11.526 9.495 10.874) 18.473 20.177 ( 0.868 2.152 -0.017) 2.320 20.250 ( 0.668 -0.062 1.324) 1.484 20.637 ( -6.544 -2.021 -4.584) 8.241 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 23.033 -11.467 8.594) 27.127 3.210 ( 22.654 -2.154 5.194) 23.342 3.443 ( 3.273 -1.877 -1.912) 4.230 3.924 ( -11.117 4.455 -0.256) 11.979 4.552 ( -9.125 11.402 2.492) 14.815 4.844 ( -7.050 -10.010 2.276) 12.453 5.442 ( 8.547 -2.541 -3.546) 9.596 5.647 ( 1.878 -1.677 -2.190) 3.337 6.387 ( 4.778 -2.872 -2.627) 6.163 6.796 ( 22.273 -6.448 -2.685) 23.343 8.751 ( -1.037 -4.797 -4.936) 6.961 8.905 ( -6.814 7.755 -0.626) 10.342 9.642 ( 1.538 1.601 -0.948) 2.414 10.495 ( 0.799 -3.497 5.490) 6.558 10.847 ( -5.802 -1.125 1.791) 6.176 11.052 ( 1.988 3.201 9.729) 10.434 11.307 ( -10.314 5.772 -1.158) 11.876 12.392 ( 6.928 -1.244 -13.064) 14.839 13.286 ( -1.317 -7.883 1.879) 8.210 13.925 ( -0.080 11.724 -4.662) 12.617 14.689 ( -2.793 -0.764 1.356) 3.198 15.239 ( 4.153 -3.344 8.553) 10.079 15.449 ( 15.606 -11.907 5.873) 20.489 16.730 ( 6.481 1.392 2.632) 7.132 17.279 ( -10.308 2.964 0.072) 10.726 18.157 ( -6.343 6.836 5.110) 10.634 19.602 ( -8.420 -2.714 -17.563) 19.666 20.167 ( -1.378 -0.945 -0.396) 1.717 20.254 ( 0.407 1.220 -1.555) 2.017 20.547 ( 1.506 2.333 7.794) 8.274 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 19.110 -8.188 11.587) 23.801 3.396 ( 3.132 -1.749 -2.941) 4.639 3.636 ( 17.453 -5.350 -1.097) 18.287 3.852 ( -4.406 13.957 3.346) 15.014 4.531 ( -8.293 7.014 2.731) 11.199 4.676 ( -3.389 -7.032 5.123) 9.337 5.504 ( 5.375 -4.169 -2.091) 7.116 5.536 ( -6.446 -6.853 -4.380) 10.378 6.253 ( -12.922 0.827 -2.664) 13.220 7.329 ( 41.148 -2.215 -2.164) 41.265 8.650 ( -1.931 -3.077 -4.601) 5.862 8.813 ( -14.395 11.856 -0.554) 18.657 9.774 ( 12.802 -2.270 1.918) 13.143 10.489 ( -1.359 -3.191 2.823) 4.472 10.697 ( -9.950 -0.073 0.125) 9.951 11.115 ( -7.436 1.212 10.653) 13.047 11.216 ( -1.767 0.472 -2.349) 2.977 12.463 ( 8.206 2.493 -9.655) 12.914 13.168 ( -6.566 -4.082 0.809) 7.773 14.023 ( 3.248 8.743 -3.167) 9.850 14.621 ( -2.127 -2.895 0.488) 3.625 15.302 ( 4.195 -11.351 12.397) 17.324 15.707 ( 19.696 -1.825 -0.216) 19.781 16.868 ( 3.256 0.238 5.514) 6.408 17.128 ( -8.945 4.168 -0.588) 9.886 18.119 ( -4.356 -1.045 2.094) 4.945 19.376 ( -7.851 4.051 -13.043) 15.754 20.130 ( -1.846 -0.815 0.346) 2.048 20.259 ( -0.204 1.511 -2.861) 3.242 20.612 ( 0.346 -0.046 5.103) 5.115 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 12.245 -6.145 10.364) 17.179 3.400 ( 3.184 -2.269 -5.034) 6.374 3.715 ( 5.279 -1.696 -3.556) 6.587 4.090 ( 4.836 11.798 4.147) 13.408 4.416 ( -7.732 -1.739 2.931) 8.450 4.681 ( 3.179 -2.128 4.436) 5.857 5.286 ( -9.283 -6.571 -6.573) 13.136 5.551 ( 5.438 -4.134 2.365) 7.229 6.029 ( -12.811 3.389 -3.454) 13.695 7.958 ( 30.385 4.370 -0.135) 30.698 8.604 ( 5.349 -4.497 -5.815) 9.091 8.670 ( -16.267 11.552 2.773) 20.143 10.000 ( 15.065 -4.775 3.643) 16.218 10.380 ( -9.749 -0.711 -3.190) 10.282 10.568 ( -4.043 -2.250 2.484) 5.251 11.037 ( -7.940 2.815 6.532) 10.660 11.167 ( -1.159 -4.117 -2.512) 4.961 12.539 ( 1.837 1.822 -5.143) 5.757 13.032 ( -5.485 -1.351 -0.224) 5.654 14.178 ( 7.312 7.952 -0.750) 10.829 14.583 ( 0.575 -3.444 -0.135) 3.494 15.319 ( 4.029 -12.497 9.895) 16.441 16.020 ( 16.535 4.047 -2.906) 17.269 16.785 ( -10.732 -3.444 2.264) 11.496 17.187 ( 6.975 5.587 1.687) 9.094 18.022 ( -2.152 -8.662 0.604) 8.946 19.252 ( -8.629 10.201 -6.800) 14.992 20.098 ( -1.921 0.162 0.609) 2.022 20.241 ( -1.288 0.964 -2.467) 2.945 20.625 ( -0.146 -1.986 2.398) 3.118 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 6.056 -6.581 3.332) 9.544 3.421 ( 3.896 -0.462 -1.918) 4.367 3.791 ( 5.579 0.959 -3.050) 6.430 4.137 ( -0.440 -7.858 -1.085) 7.945 4.309 ( -11.215 4.724 3.054) 12.547 4.746 ( 5.727 -4.465 -0.004) 7.262 5.096 ( -5.137 -0.788 -0.847) 5.265 5.660 ( 4.219 4.913 2.326) 6.881 5.885 ( -3.926 2.934 -1.392) 5.095 8.254 ( -6.110 5.627 -2.858) 8.785 8.542 ( -2.912 -0.297 7.711) 8.248 8.758 ( 16.821 1.014 -5.278) 17.659 10.088 ( -6.390 -9.297 -1.550) 11.387 10.272 ( 5.655 4.269 2.200) 7.419 10.540 ( 2.532 -1.881 -0.819) 3.259 11.004 ( -3.760 2.442 4.133) 6.098 11.083 ( -1.209 -3.605 -2.980) 4.831 12.483 ( -6.744 0.424 -0.576) 6.782 12.974 ( -0.493 -0.841 0.033) 0.975 14.385 ( 6.376 7.345 -2.814) 10.126 14.558 ( 1.383 -2.063 -0.033) 2.484 15.330 ( 5.240 -11.303 6.694) 14.143 16.272 ( 7.801 9.412 -4.596) 13.061 16.592 ( -3.756 -9.910 -0.255) 10.601 17.384 ( 8.665 5.767 -1.459) 10.511 17.909 ( -0.187 -11.495 2.717) 11.813 19.185 ( -10.246 12.547 -0.330) 16.202 20.074 ( -1.739 0.645 0.085) 1.857 20.213 ( -1.834 0.890 -0.285) 2.058 20.604 ( -0.319 -2.892 0.158) 2.914 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 3.838 -9.768 -5.880) 12.030 3.464 ( -0.072 -1.031 1.520) 1.839 3.852 ( -0.175 3.325 -2.917) 4.426 4.037 ( 3.589 -12.527 0.558) 13.043 4.161 ( -7.313 0.375 -1.617) 7.499 4.761 ( 0.833 -1.072 -3.102) 3.386 5.086 ( -0.936 5.587 3.871) 6.861 5.673 ( -3.305 -0.326 -1.578) 3.677 6.065 ( 12.232 11.151 4.475) 17.146 7.935 ( -20.170 -13.419 -2.669) 24.373 8.617 ( 1.260 5.952 3.057) 6.809 9.001 ( 9.526 2.845 -0.566) 9.958 9.829 ( -10.261 -5.989 -4.504) 12.705 10.481 ( 9.404 4.584 5.933) 12.028 10.605 ( 8.418 -1.936 -3.949) 9.498 10.937 ( -2.787 -3.787 -2.746) 5.445 11.093 ( 2.049 2.877 1.723) 3.929 12.348 ( -10.555 0.632 3.410) 11.110 12.988 ( 3.109 -1.871 1.642) 3.982 14.352 ( -8.919 1.473 -2.577) 9.400 14.699 ( 10.322 6.113 -5.546) 13.217 15.344 ( 5.005 -11.186 3.277) 12.685 16.372 ( -4.606 6.128 1.432) 7.799 16.516 ( 12.222 -12.899 -8.844) 19.849 17.528 ( 5.277 4.200 -8.484) 10.838 17.864 ( 2.567 -6.104 6.987) 9.627 19.145 ( -11.282 12.197 7.073) 18.058 20.055 ( -0.883 0.608 -0.589) 1.223 20.198 ( -1.998 1.164 2.454) 3.371 20.568 ( 0.022 -2.662 -1.416) 3.015 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 4.170 -13.341 -12.009) 18.428 3.400 ( -3.095 -4.436 -0.726) 5.458 3.741 ( -6.717 -7.343 -3.285) 10.480 4.007 ( -4.523 1.320 1.178) 4.857 4.201 ( 13.048 -1.093 1.898) 13.231 4.749 ( -1.282 4.747 -3.885) 6.267 5.176 ( -0.797 9.146 4.053) 10.035 5.611 ( 1.653 -6.252 -1.459) 6.629 6.415 ( 10.933 11.310 5.081) 16.530 7.364 ( -21.676 -24.523 -5.258) 33.150 8.699 ( 0.142 5.930 0.961) 6.009 9.090 ( -2.830 2.153 1.591) 3.896 9.639 ( -3.317 -1.211 -4.949) 6.079 10.690 ( 4.998 -2.641 -3.094) 6.445 10.727 ( 8.704 5.319 6.550) 12.123 10.876 ( 4.668 -3.396 -4.198) 7.137 11.167 ( 1.558 3.334 -0.234) 3.688 12.190 ( -11.861 -0.039 6.125) 13.349 13.059 ( 6.017 -3.101 3.727) 7.727 14.185 ( -12.605 6.342 -2.471) 14.325 14.863 ( 8.100 4.838 -10.571) 14.169 15.297 ( 1.560 -12.236 0.369) 12.340 16.314 ( 3.278 -14.885 -0.544) 15.251 16.580 ( 8.362 -0.445 -9.753) 12.855 17.551 ( 1.613 2.146 -9.352) 9.729 17.950 ( 3.409 4.001 4.805) 7.121 19.128 ( -11.594 10.065 14.582) 21.174 20.056 ( 0.654 0.911 -0.337) 1.171 20.196 ( -1.971 1.028 4.103) 4.666 20.547 ( 1.475 -1.502 -2.295) 3.115 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 4.965 -16.504 -17.493) 24.557 3.307 ( -0.416 -6.868 -3.220) 7.597 3.508 ( -5.838 -13.115 -2.416) 14.558 3.970 ( -4.365 4.676 2.185) 6.760 4.457 ( 12.053 4.721 0.529) 12.956 4.773 ( 0.127 4.564 1.964) 4.970 5.255 ( -3.645 10.547 1.933) 11.326 5.606 ( 8.391 -9.750 -2.389) 13.084 6.616 ( -3.385 -10.773 5.181) 12.424 6.778 ( -10.878 -8.661 -8.537) 16.317 8.743 ( -0.756 1.567 0.956) 1.985 9.003 ( -6.917 1.717 -0.366) 7.136 9.625 ( 0.847 4.194 -3.463) 5.504 10.686 ( 0.522 -1.725 -0.650) 1.916 10.897 ( 9.131 -5.205 0.567) 10.526 11.017 ( 6.999 7.945 2.354) 10.847 11.181 ( -0.307 0.393 -4.144) 4.173 12.050 ( -9.302 0.827 8.044) 12.325 13.160 ( 7.382 -5.110 4.656) 10.113 14.040 ( -12.062 10.114 -3.560) 16.139 14.905 ( 1.773 -3.065 -9.129) 9.792 15.209 ( 1.642 -6.790 -1.607) 7.168 16.170 ( 1.494 -19.836 -7.004) 21.090 16.659 ( 8.388 -0.150 -9.410) 12.607 17.536 ( -0.691 3.688 -7.442) 8.335 18.091 ( 3.375 8.751 2.424) 9.687 19.120 ( -11.716 7.270 19.639) 23.996 20.091 ( 1.755 1.691 0.462) 2.481 20.199 ( -1.588 0.392 4.338) 4.636 20.570 ( 3.959 0.111 -2.470) 4.667 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 4.597 -18.912 -22.850) 30.015 3.117 ( 0.030 -25.453 -8.944) 26.978 3.367 ( -2.605 -0.132 2.504) 3.616 3.973 ( -4.053 6.099 5.225) 8.996 4.636 ( 5.755 2.630 -2.078) 6.660 4.904 ( 9.867 0.550 4.704) 10.945 5.278 ( -4.814 7.038 -0.626) 8.550 5.664 ( 8.678 -4.531 -4.643) 10.835 6.177 ( -9.392 -23.411 -4.006) 25.541 6.759 ( -5.086 5.602 0.616) 7.591 8.694 ( -2.461 -4.697 0.805) 5.363 8.967 ( -0.837 3.668 -1.426) 4.023 9.667 ( -0.228 7.233 -2.118) 7.540 10.672 ( -0.924 -1.040 -2.749) 3.080 10.942 ( -5.030 -1.220 5.638) 7.654 11.093 ( 9.696 -10.160 -6.106) 15.314 11.283 ( 5.876 11.112 1.600) 12.671 12.017 ( -3.400 4.126 8.343) 9.909 13.249 ( 6.161 -5.246 2.535) 8.480 13.937 ( -6.291 5.538 -3.513) 9.088 14.770 ( -5.211 -9.297 -1.590) 10.776 15.216 ( 3.387 0.906 -4.128) 5.416 15.888 ( -7.323 -15.815 -11.626) 20.950 16.743 ( 9.726 -1.863 -10.431) 14.384 17.507 ( -2.531 3.894 -5.385) 7.111 18.245 ( 2.164 8.727 2.434) 9.315 19.128 ( -8.426 5.797 21.212) 23.549 20.142 ( 1.094 2.332 1.063) 2.787 20.203 ( -0.550 -0.383 3.324) 3.391 20.645 ( 5.328 1.454 -2.503) 6.063 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 2.358 -21.532 -26.835) 34.487 2.811 ( 4.044 -32.060 -5.016) 32.701 3.372 ( -2.019 3.406 3.385) 5.209 4.038 ( 4.718 1.694 4.621) 6.818 4.717 ( 5.280 -5.548 1.658) 7.836 5.071 ( -0.615 11.048 -10.088) 14.974 5.232 ( 5.315 -7.197 -1.565) 9.083 5.646 ( -7.723 -0.681 -5.261) 9.370 5.995 ( 9.732 -9.116 1.352) 13.403 6.680 ( -8.334 2.184 1.831) 8.808 8.640 ( -0.126 -2.250 1.689) 2.816 8.965 ( 1.305 -3.562 -2.540) 4.565 9.751 ( 0.604 11.418 -0.461) 11.443 10.564 ( -5.044 -4.937 -5.086) 8.700 10.817 ( -5.510 -7.101 3.831) 9.770 11.186 ( 5.914 1.382 -0.617) 6.104 11.482 ( 4.621 8.557 0.858) 9.762 12.103 ( 2.779 4.720 6.280) 8.333 13.287 ( 3.184 -2.020 -3.118) 4.893 13.930 ( 5.636 -2.928 1.996) 6.657 14.544 ( -10.276 -12.143 1.362) 15.966 15.264 ( 2.595 2.664 -2.958) 4.752 15.531 ( -12.336 -5.764 -11.738) 17.977 16.799 ( 6.738 -3.908 -10.070) 12.731 17.470 ( -2.501 3.475 -3.626) 5.610 18.317 ( -5.368 5.875 4.751) 9.269 19.254 ( 2.346 7.263 18.745) 20.239 20.174 ( -0.434 1.858 0.974) 2.142 20.219 ( 0.969 -0.316 1.982) 2.229 20.714 ( 2.524 1.301 -3.767) 4.717 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 7.695 -22.240 -24.013) 33.622 2.618 ( 11.411 -31.388 1.031) 33.414 3.394 ( -2.205 3.949 3.719) 5.855 4.234 ( 15.007 0.616 1.350) 15.080 4.645 ( -7.792 -5.311 -5.600) 10.967 4.976 ( -1.348 -3.625 -6.694) 7.731 5.350 ( 10.840 1.952 -13.742) 17.611 5.462 ( -8.491 -3.278 5.197) 10.481 6.140 ( 8.437 -1.458 -0.604) 8.584 6.608 ( -3.095 1.591 5.235) 6.286 8.664 ( 1.156 1.681 2.643) 3.339 8.928 ( 4.315 -8.563 -3.171) 10.099 9.868 ( -2.154 12.430 -0.550) 12.628 10.416 ( -1.003 -6.252 -2.445) 6.788 10.691 ( -2.578 -9.528 4.070) 10.677 11.249 ( -5.901 9.517 2.001) 11.375 11.581 ( -0.616 5.292 -3.202) 6.216 12.251 ( 7.318 1.808 1.604) 7.707 13.321 ( 5.779 1.807 -6.928) 9.201 14.100 ( 13.997 -3.611 8.613) 16.827 14.198 ( -12.923 -18.286 1.040) 22.415 15.274 ( -6.679 0.059 -7.294) 9.890 15.319 ( -1.857 6.535 -0.062) 6.794 16.759 ( 1.460 -6.273 -8.282) 10.492 17.453 ( -1.600 3.488 -2.159) 4.402 18.259 ( -10.578 4.914 7.132) 13.671 19.545 ( 9.404 9.111 13.856) 19.064 20.183 ( -0.151 1.188 -1.022) 1.575 20.248 ( 1.099 0.163 2.280) 2.536 20.677 ( -3.782 -1.563 -6.302) 7.514 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 25.182 -10.593 15.433) 31.377 2.724 ( 31.660 -7.009 4.345) 32.716 3.436 ( -3.734 0.105 -2.748) 4.637 4.103 ( -1.718 2.991 -2.845) 4.471 4.764 ( 4.054 -3.482 -2.209) 5.783 4.869 ( -4.752 3.626 8.682) 10.541 5.161 ( 14.709 -5.192 5.084) 16.406 5.591 ( -0.357 -1.498 1.380) 2.068 6.102 ( 8.878 2.058 -9.364) 13.067 6.698 ( -3.347 -3.556 0.031) 4.884 8.694 ( 1.457 -0.768 -4.328) 4.631 8.924 ( 5.547 -1.308 1.993) 6.038 9.773 ( -11.195 6.185 -2.804) 13.094 10.469 ( 1.389 -5.436 5.314) 7.728 10.790 ( 9.304 -4.403 6.377) 12.109 11.196 ( -8.034 6.662 -1.254) 10.511 11.506 ( -6.427 3.692 -1.137) 7.499 12.234 ( 1.419 0.600 -8.090) 8.235 13.228 ( 3.124 -3.269 3.454) 5.690 13.995 ( 4.195 9.949 -5.625) 12.175 14.561 ( 9.767 -14.518 0.217) 17.499 15.213 ( 1.664 4.490 2.722) 5.508 15.324 ( -7.604 -7.456 9.479) 14.257 16.667 ( 5.931 1.859 4.806) 7.857 17.429 ( -4.953 0.755 0.712) 5.060 18.351 ( -8.189 3.061 1.077) 8.808 19.605 ( -6.621 0.795 -19.104) 20.234 20.180 ( -1.281 -0.929 0.409) 1.634 20.248 ( 0.563 1.104 -1.430) 1.893 20.599 ( 1.027 1.830 8.957) 9.199 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 23.220 -6.570 16.687) 29.339 3.186 ( 27.283 -5.681 0.336) 27.870 3.358 ( -1.880 -1.177 -4.150) 4.706 4.078 ( -6.578 11.395 -0.566) 13.170 4.654 ( -6.591 -10.109 3.397) 12.537 4.849 ( -7.293 9.038 8.607) 14.455 5.397 ( 6.058 -1.529 4.429) 7.658 5.528 ( -2.882 -5.973 -5.216) 8.438 6.354 ( 9.452 3.961 -4.408) 11.156 6.673 ( 19.323 -3.257 -1.911) 19.688 8.646 ( -2.670 -0.858 -3.713) 4.653 9.028 ( 1.715 4.728 0.738) 5.083 9.676 ( -2.999 2.119 1.130) 3.842 10.478 ( 1.073 -3.849 4.061) 5.697 10.813 ( -3.204 -2.658 -2.082) 4.654 11.143 ( -1.624 -2.861 1.696) 3.701 11.403 ( -10.808 3.262 2.698) 11.607 12.304 ( 8.377 5.363 -5.980) 11.606 13.248 ( -2.982 0.362 3.716) 4.778 14.079 ( -0.631 9.312 -3.457) 9.953 14.535 ( 4.716 -12.149 -3.541) 13.504 15.220 ( -0.466 -9.606 8.441) 12.797 15.397 ( 14.196 1.424 1.798) 14.380 16.824 ( 6.288 0.376 7.350) 9.680 17.325 ( -9.214 1.338 1.225) 9.390 18.197 ( -8.118 -4.565 -2.983) 9.779 19.460 ( -4.636 8.852 -13.647) 16.915 20.155 ( -1.422 -0.196 0.680) 1.588 20.257 ( 0.224 1.231 -2.263) 2.586 20.648 ( -0.882 -1.335 6.433) 6.629 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 17.205 -4.030 14.435) 22.817 3.306 ( 0.787 -1.986 -5.347) 5.758 3.484 ( 15.884 -5.305 -2.716) 16.966 4.122 ( 0.195 6.607 -2.790) 7.175 4.503 ( -2.885 -5.903 6.732) 9.407 4.840 ( -11.696 7.703 8.624) 16.447 5.327 ( -7.379 -6.463 -6.216) 11.613 5.480 ( 3.782 1.205 4.904) 6.309 6.254 ( -12.131 4.230 -6.383) 14.345 7.312 ( 44.813 1.278 0.880) 44.839 8.561 ( -3.909 -0.209 -4.592) 6.033 9.023 ( -10.293 8.105 1.136) 13.150 9.758 ( 10.223 -3.015 4.893) 11.728 10.453 ( -2.835 -2.769 1.134) 4.122 10.673 ( -8.150 -1.109 -1.948) 8.453 11.084 ( 1.305 -7.331 -3.747) 8.335 11.254 ( -10.755 1.164 3.606) 11.403 12.483 ( 6.411 6.513 -1.318) 9.234 13.169 ( -9.012 2.429 1.528) 9.458 14.166 ( 3.424 7.132 0.693) 7.942 14.476 ( 3.641 -9.542 -2.519) 10.519 15.190 ( 2.824 -10.155 5.183) 11.745 15.713 ( 19.528 2.802 -1.642) 19.796 16.919 ( -1.800 -1.984 4.497) 5.234 17.207 ( -4.752 1.667 3.604) 6.193 17.992 ( -5.323 -8.755 -3.381) 10.790 19.428 ( -4.705 13.004 -8.617) 16.294 20.137 ( -1.688 1.049 0.225) 2.000 20.252 ( -0.422 0.775 -1.533) 1.769 20.632 ( -1.457 -3.722 4.038) 5.682 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 6.209 -3.835 6.870) 10.023 3.299 ( 5.620 -2.083 -3.057) 6.728 3.639 ( 9.672 -1.772 -2.840) 10.235 4.066 ( -2.468 -8.743 -2.199) 9.347 4.554 ( 5.615 -1.756 2.942) 6.578 4.670 ( -17.013 1.412 2.547) 17.261 5.187 ( -3.950 3.035 1.089) 5.099 5.651 ( 7.554 8.751 4.985) 12.590 6.043 ( -12.381 3.763 -6.443) 14.455 8.043 ( 37.642 1.889 2.248) 37.756 8.421 ( -7.985 -6.202 -4.591) 11.103 8.908 ( -11.284 9.389 -0.323) 14.683 9.939 ( 9.880 -7.453 5.634) 13.598 10.352 ( -5.804 2.057 -1.270) 6.288 10.540 ( -4.513 -1.962 -0.397) 4.937 11.008 ( 1.037 -5.730 -6.735) 8.903 11.141 ( -6.258 0.954 4.177) 7.584 12.576 ( -1.799 3.843 2.231) 4.794 13.056 ( -7.526 3.370 0.345) 8.254 14.336 ( 6.564 7.791 0.425) 10.196 14.446 ( 5.094 -9.012 -1.394) 10.446 15.176 ( 3.977 -8.648 1.530) 9.641 16.033 ( 16.918 0.878 -3.393) 17.277 16.753 ( -13.870 -1.467 0.472) 13.955 17.283 ( 6.910 0.979 2.097) 7.287 17.835 ( -1.581 -9.284 1.255) 9.501 19.432 ( -5.877 13.778 -4.231) 15.565 20.115 ( -2.221 1.554 -1.258) 2.988 20.247 ( -0.756 0.697 1.319) 1.673 20.585 ( -1.128 -4.732 1.768) 5.176 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -1.942 -7.948 -5.628) 9.930 3.419 ( 6.263 -0.770 3.011) 6.992 3.732 ( 8.546 -6.400 -1.525) 10.785 3.919 ( -3.491 -7.557 -1.535) 8.465 4.411 ( -15.476 3.234 0.513) 15.819 4.618 ( 7.346 -5.921 -1.664) 9.581 5.222 ( -3.151 9.331 4.171) 10.695 5.814 ( -10.312 6.260 -3.854) 12.664 5.990 ( 11.991 9.978 3.111) 15.907 8.050 ( -17.027 -22.068 -3.599) 28.105 8.567 ( 17.149 2.297 4.912) 17.986 8.912 ( 2.916 13.588 -6.566) 15.370 9.881 ( -6.409 -10.436 -0.081) 12.247 10.430 ( 6.829 7.244 5.877) 11.561 10.485 ( 1.177 -2.061 -1.933) 3.061 10.924 ( -1.137 -3.469 -6.518) 7.471 11.121 ( -0.823 1.744 4.369) 4.775 12.541 ( -7.919 2.235 4.774) 9.513 12.999 ( -3.191 2.803 0.879) 4.337 14.388 ( 0.691 -2.427 -5.155) 5.740 14.564 ( 9.451 2.967 0.323) 9.912 15.173 ( 4.654 -7.282 -1.550) 8.780 16.185 ( 7.476 -11.159 -6.351) 14.858 16.551 ( -8.840 4.197 1.784) 9.947 17.403 ( 6.846 0.845 -6.686) 9.606 17.808 ( 3.566 -4.913 8.869) 10.747 19.445 ( -6.980 13.366 0.858) 15.103 20.081 ( -2.031 1.231 -1.725) 2.935 20.255 ( -1.186 0.830 4.010) 4.263 20.531 ( -0.380 -4.445 -0.473) 4.486 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -1.658 -13.193 -12.781) 18.444 3.405 ( -3.770 -5.723 0.131) 6.855 3.694 ( -2.867 -17.977 -0.723) 18.219 3.937 ( 11.128 3.478 0.624) 11.675 4.256 ( -9.640 7.477 2.747) 12.506 4.711 ( 7.452 2.238 -3.141) 8.391 5.280 ( -1.874 7.530 2.120) 8.045 5.654 ( -9.225 0.764 -2.246) 9.525 6.354 ( 13.267 12.111 3.307) 18.265 7.425 ( -22.118 -30.241 -6.127) 37.964 8.739 ( 1.962 3.247 1.701) 4.158 9.111 ( 5.811 7.329 -3.798) 10.095 9.670 ( -5.909 -3.904 -2.328) 7.455 10.511 ( 6.572 -2.953 -3.805) 8.148 10.671 ( 6.695 2.207 9.524) 11.850 10.849 ( -0.118 2.258 -3.560) 4.217 11.182 ( 1.624 3.549 2.301) 4.531 12.421 ( -11.362 0.451 5.331) 12.559 13.011 ( 0.629 0.962 3.185) 3.386 14.338 ( -2.373 1.407 -4.278) 5.090 14.721 ( 7.156 3.104 -5.545) 9.570 15.156 ( 2.831 -6.631 -3.609) 8.063 16.016 ( 1.471 -21.237 -9.041) 23.128 16.558 ( -0.788 4.427 2.447) 5.119 17.460 ( 4.937 1.742 -8.450) 9.940 17.942 ( 6.179 2.255 8.601) 10.828 19.467 ( -7.970 12.131 6.872) 16.060 20.060 ( -0.609 1.075 -0.982) 1.579 20.266 ( -1.879 0.375 5.642) 5.959 20.488 ( 0.976 -3.222 -2.584) 4.245 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 0.590 -17.927 -18.683) 25.899 3.226 ( -5.723 -16.897 -2.330) 17.991 3.465 ( -3.494 -8.784 -2.000) 9.662 4.104 ( 0.133 3.868 5.661) 6.858 4.330 ( 7.224 9.917 0.399) 12.276 4.820 ( 0.429 4.184 -1.217) 4.378 5.331 ( 3.380 -1.188 -0.502) 3.618 5.506 ( -6.743 0.157 0.219) 6.749 6.630 ( -0.659 -2.059 3.686) 4.273 6.761 ( -10.163 -16.763 -10.994) 22.475 8.772 ( -1.049 0.488 0.267) 1.187 9.094 ( -5.033 -3.179 -2.495) 6.455 9.660 ( 1.281 9.301 -2.035) 9.607 10.581 ( 8.543 -4.344 -5.355) 10.978 10.696 ( 1.290 -8.480 5.497) 10.187 11.040 ( 7.920 12.635 4.355) 15.535 11.228 ( -2.714 4.000 0.144) 4.836 12.260 ( -10.529 -0.312 5.452) 11.861 13.061 ( 2.936 -2.645 5.162) 6.501 14.269 ( -7.977 5.322 -4.652) 10.658 14.777 ( 3.737 -2.543 -7.766) 8.986 15.120 ( 2.056 -1.777 -3.718) 4.605 15.809 ( 6.780 -21.719 -11.264) 25.388 16.583 ( -0.067 0.380 0.471) 0.609 17.507 ( 2.867 3.002 -6.207) 7.467 18.126 ( 4.973 7.397 4.742) 10.097 19.489 ( -9.626 10.018 12.962) 19.001 20.076 ( 1.594 1.379 -0.094) 2.110 20.264 ( -2.466 -0.482 5.884) 6.398 20.479 ( 3.412 -1.679 -3.894) 5.443 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 3.351 -20.934 -24.166) 32.147 2.860 ( -6.320 -28.372 -7.608) 30.047 3.414 ( -0.387 1.654 1.580) 2.320 4.129 ( -6.610 0.313 6.238) 9.094 4.550 ( 7.055 3.539 -1.816) 8.099 4.723 ( 0.600 -14.324 3.143) 14.677 5.418 ( 9.064 2.579 -3.827) 10.171 5.469 ( -2.656 6.966 -1.506) 7.605 6.194 ( -13.730 -13.049 -5.311) 19.672 6.823 ( 2.078 3.137 -2.211) 4.365 8.706 ( -4.274 -4.367 0.868) 6.172 8.982 ( -1.653 -2.845 -3.401) 4.732 9.774 ( -0.752 12.930 -0.291) 12.955 10.620 ( 3.782 -3.315 -5.110) 7.170 10.724 ( 10.794 -11.627 2.293) 16.030 11.138 ( -11.096 0.833 3.581) 11.689 11.320 ( 7.055 13.156 2.781) 15.185 12.173 ( -5.002 3.242 5.649) 8.212 13.117 ( 4.775 -5.567 5.325) 9.064 14.079 ( -12.055 -1.960 -6.347) 13.764 14.729 ( 0.490 -6.723 -3.954) 7.815 15.164 ( 3.266 4.978 -3.913) 7.125 15.683 ( 5.690 -12.484 -12.099) 18.292 16.584 ( 2.251 -1.546 -2.647) 3.803 17.525 ( 0.060 1.792 -4.135) 4.507 18.300 ( 3.419 9.488 2.052) 10.292 19.489 ( -11.390 7.619 17.687) 22.374 20.133 ( 2.740 1.911 0.546) 3.385 20.246 ( -2.379 -0.985 4.341) 5.047 20.527 ( 6.414 -0.584 -4.164) 7.669 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 3.502 -22.192 -28.407) 36.217 2.423 ( -2.323 -33.852 -9.146) 35.143 3.452 ( -0.669 2.432 2.747) 3.729 3.872 ( -2.094 -34.672 5.613) 35.185 4.614 ( 3.689 0.444 8.160) 8.966 4.862 ( 14.744 6.962 -11.525) 19.967 5.375 ( -11.987 8.556 -8.451) 16.980 5.649 ( 7.797 6.931 -5.833) 11.952 5.934 ( -5.259 -3.961 5.267) 8.431 6.792 ( -4.077 -1.779 -2.564) 5.135 8.616 ( -1.179 -4.221 2.324) 4.961 8.915 ( -0.726 -4.304 -3.398) 5.532 9.883 ( -1.212 13.273 1.176) 13.380 10.572 ( -2.959 -3.249 -5.068) 6.708 10.737 ( 3.852 -14.514 -8.794) 17.402 11.077 ( 3.045 0.068 14.950) 15.257 11.544 ( 2.894 12.263 0.857) 12.629 12.209 ( -1.679 7.643 4.720) 9.139 13.169 ( 4.614 -5.559 1.809) 7.447 13.834 ( -3.486 -11.003 -1.997) 11.714 14.581 ( -6.189 -11.500 -3.781) 13.596 15.250 ( 2.266 6.370 -2.962) 7.382 15.600 ( -3.099 3.965 -8.690) 10.042 16.606 ( 5.413 -2.716 -5.256) 8.018 17.498 ( -1.332 -0.293 -2.422) 2.779 18.437 ( 0.830 8.134 1.587) 8.329 19.495 ( -8.254 6.403 20.085) 22.639 20.194 ( 1.415 2.012 0.434) 2.498 20.223 ( -1.300 -1.082 2.500) 3.019 20.615 ( 6.819 -0.015 -5.368) 8.679 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 3.195 -23.984 -27.505) 36.633 2.100 ( 9.990 -35.733 -3.095) 37.232 3.414 ( 7.070 -19.802 0.737) 21.039 3.710 ( 12.715 -22.873 4.587) 26.569 4.718 ( -1.438 9.419 -4.852) 10.692 5.108 ( -3.263 9.490 -12.638) 16.138 5.140 ( 0.099 4.604 -6.089) 7.635 5.610 ( -8.378 -0.399 1.158) 8.467 6.060 ( 7.710 5.095 3.647) 9.935 6.672 ( -3.495 -4.547 0.009) 5.735 8.633 ( 4.070 -1.708 4.338) 6.189 8.823 ( -1.859 -5.529 -3.504) 6.804 10.011 ( 0.471 12.254 1.863) 12.404 10.385 ( -6.814 -8.444 -3.328) 11.349 10.609 ( 1.612 -10.120 -3.749) 10.912 11.317 ( 10.506 3.050 9.727) 14.639 11.628 ( -4.619 8.404 -4.251) 10.489 12.289 ( -1.541 8.361 2.901) 8.983 13.180 ( 4.376 -3.066 -5.659) 7.783 13.805 ( 12.380 -16.121 8.564) 22.056 14.268 ( -11.325 -13.113 -3.232) 17.626 15.297 ( -1.334 3.368 -1.642) 3.977 15.565 ( -8.685 16.952 -3.202) 19.314 16.620 ( 3.470 -4.160 -6.208) 8.239 17.466 ( 0.044 -1.286 -0.905) 1.573 18.483 ( -5.224 5.589 3.860) 8.568 19.623 ( 1.772 7.882 18.278) 19.983 20.195 ( -1.081 0.417 -0.713) 1.360 20.243 ( 1.242 0.388 1.525) 2.005 20.643 ( 1.107 -1.435 -8.674) 8.862 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 -0.000 21.527) 21.527 0.766 ( 0.000 -0.000 21.527) 21.527 2.304 ( 0.000 -0.000 60.916) 60.916 3.798 ( -0.000 0.000 -1.919) 1.919 4.893 ( -0.000 0.000 -17.515) 17.515 4.893 ( -0.000 0.000 -17.515) 17.515 6.022 ( -0.000 0.000 -5.948) 5.948 6.294 ( 0.000 -0.000 13.046) 13.046 6.294 ( 0.000 -0.000 13.046) 13.046 7.739 ( -0.000 0.000 -7.631) 7.631 8.644 ( 0.000 0.000 -0.136) 0.136 8.644 ( -0.000 0.000 -0.136) 0.136 10.052 ( 0.000 -0.000 5.021) 5.021 10.052 ( 0.000 -0.000 5.021) 5.021 10.420 ( 0.000 -0.000 1.632) 1.632 10.420 ( 0.000 -0.000 1.632) 1.632 12.551 ( -0.000 0.000 -3.793) 3.793 12.716 ( -0.000 0.000 -1.002) 1.002 12.974 ( 0.000 0.000 -0.104) 0.104 12.974 ( -0.000 0.000 -0.104) 0.104 14.038 ( 0.000 -0.000 -0.069) 0.069 14.038 ( -0.000 0.000 -0.069) 0.069 16.623 ( 0.000 -0.000 9.401) 9.401 16.623 ( 0.000 -0.000 9.401) 9.401 17.207 ( 0.000 -0.000 0.468) 0.468 18.579 ( 0.000 -0.000 0.239) 0.239 20.107 ( -0.000 0.000 -5.281) 5.281 20.107 ( -0.000 0.000 -5.281) 5.281 20.158 ( -0.000 0.000 -2.753) 2.753 20.396 ( 0.000 -0.000 3.535) 3.535 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 14.854 17.354 14.823) 27.231 1.605 ( 38.660 18.368 17.478) 46.233 2.773 ( 13.058 6.961 51.986) 54.051 3.709 ( -6.103 -2.878 -1.332) 6.877 4.657 ( -1.093 -6.519 -16.354) 17.640 4.932 ( 3.569 2.380 -16.543) 17.091 5.820 ( -15.362 -3.964 1.781) 15.965 6.287 ( 5.787 -10.235 5.516) 12.987 6.537 ( 1.141 11.788 10.431) 15.782 7.047 ( -39.040 -23.718 12.797) 47.438 8.605 ( -1.776 4.628 -0.737) 5.012 8.798 ( 6.771 2.741 1.954) 7.562 9.954 ( -1.880 -2.305 3.261) 4.414 10.375 ( -1.779 -0.735 1.161) 2.248 10.439 ( 1.155 0.206 1.970) 2.293 10.671 ( 29.837 15.464 -6.335) 34.198 12.251 ( -18.521 -11.711 -1.410) 21.959 12.541 ( -7.456 -4.792 -0.752) 8.895 13.026 ( 8.883 -1.586 0.493) 9.037 13.299 ( 16.919 11.340 1.027) 20.393 13.920 ( -9.987 11.072 -3.232) 15.257 14.510 ( 30.899 8.263 -8.436) 33.078 16.470 ( -19.564 -2.309 9.823) 22.013 16.680 ( 4.265 -7.896 9.635) 13.167 17.345 ( 8.501 5.720 2.869) 10.640 18.521 ( -5.691 -2.952 -0.587) 6.438 19.832 ( -16.112 1.571 -5.252) 17.019 20.085 ( 3.963 -5.114 -5.697) 8.620 20.205 ( 0.826 1.302 -2.802) 3.199 20.513 ( 6.486 -0.164 2.011) 6.792 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 22.073 20.698 8.105) 31.326 2.324 ( 15.984 6.628 29.071) 33.831 3.427 ( 7.677 8.843 11.197) 16.202 3.703 ( 21.504 8.869 12.166) 26.251 4.518 ( 2.200 -7.769 -8.885) 12.006 4.850 ( 0.296 -5.906 -13.456) 14.698 5.531 ( -16.902 -4.272 6.927) 18.759 6.307 ( 4.851 -10.017 -1.106) 11.184 6.413 ( -22.074 -11.209 10.587) 26.926 6.688 ( -6.305 11.001 11.141) 16.879 8.652 ( 2.004 5.008 0.054) 5.394 8.921 ( 2.631 2.930 3.290) 5.131 9.992 ( 4.987 1.238 1.821) 5.452 10.363 ( -2.226 2.926 2.210) 4.290 10.396 ( -2.702 -6.895 2.155) 7.713 11.154 ( 17.160 8.207 -8.010) 20.639 11.833 ( -15.855 -12.455 -1.314) 20.205 12.387 ( -3.960 -3.108 -2.823) 5.772 13.189 ( 14.878 -8.895 2.633) 17.533 13.666 ( 9.153 10.816 -5.564) 15.223 13.933 ( -2.712 24.516 2.468) 24.789 14.943 ( 20.036 1.226 -5.966) 20.942 16.143 ( -21.635 -3.265 10.547) 24.289 16.733 ( 4.473 -8.196 8.597) 12.692 17.553 ( 6.622 3.892 5.960) 9.723 18.313 ( -12.650 -6.152 -2.936) 14.369 19.607 ( -10.183 7.425 -9.545) 15.809 20.073 ( 4.339 -4.560 -5.914) 8.637 20.208 ( 0.321 1.165 -2.434) 2.717 20.586 ( 3.358 -4.308 2.536) 6.022 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 20.632 18.668 4.559) 28.195 2.716 ( 7.779 0.379 30.956) 31.920 3.426 ( -3.312 1.678 1.590) 4.039 4.178 ( 0.435 1.842 -11.999) 12.148 4.698 ( 5.553 -11.203 -7.798) 14.736 4.812 ( 32.588 12.413 13.444) 37.374 5.268 ( -14.618 -4.599 7.980) 17.278 5.999 ( -12.574 -15.283 2.361) 19.931 6.370 ( 0.770 6.157 -2.404) 6.655 6.711 ( -7.709 6.777 8.621) 13.404 8.756 ( 2.966 6.008 0.705) 6.737 8.992 ( 1.748 1.402 2.383) 3.271 10.126 ( 5.784 1.570 -2.514) 6.499 10.241 ( -8.802 -4.044 5.494) 11.136 10.406 ( 3.280 -0.560 4.176) 5.340 11.272 ( -3.888 1.297 -3.934) 5.681 11.489 ( -8.249 -12.519 -3.824) 15.473 12.353 ( 5.085 -0.332 -5.972) 7.851 13.366 ( 17.157 -15.055 3.788) 23.138 13.718 ( -6.985 17.047 -10.179) 21.048 14.318 ( 8.279 23.873 7.804) 26.446 15.161 ( 11.606 -4.242 0.820) 12.384 15.870 ( -16.503 0.902 12.966) 21.006 16.767 ( 3.458 -8.237 6.877) 11.274 17.698 ( 3.085 -0.202 8.703) 9.236 17.962 ( -16.781 -7.900 -7.137) 19.874 19.514 ( -3.802 10.669 -13.239) 17.423 20.070 ( 4.226 -3.677 -5.658) 7.962 20.212 ( 0.488 1.264 -2.266) 2.640 20.586 ( 0.836 -5.772 3.182) 6.644 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 14.967 14.375 3.198) 20.997 3.011 ( 8.623 -1.225 24.305) 25.818 3.420 ( -2.691 2.178 3.497) 4.921 4.004 ( -7.883 -2.689 -7.425) 11.158 4.588 ( 0.463 -9.906 -5.100) 11.151 5.032 ( -9.088 -8.207 3.806) 12.824 5.591 ( 21.903 15.128 5.459) 27.173 5.709 ( -2.852 -11.701 -1.245) 12.108 6.397 ( -4.703 5.337 -4.022) 8.172 6.769 ( 4.850 10.146 7.441) 13.485 8.842 ( -1.985 7.130 0.852) 7.450 9.032 ( 1.847 -2.259 -0.438) 2.951 9.959 ( -9.145 -9.284 -0.733) 13.052 10.310 ( 3.967 4.883 3.518) 7.208 10.508 ( 4.480 -0.087 5.954) 7.452 11.111 ( -10.834 -0.257 1.774) 10.982 11.255 ( -4.185 -10.181 -4.962) 12.074 12.430 ( 8.902 -0.680 -10.480) 13.767 13.496 ( 12.570 -13.818 1.870) 18.773 13.707 ( -6.317 15.191 -7.187) 17.953 14.577 ( -4.302 10.002 7.627) 13.294 15.366 ( 14.042 0.539 5.068) 14.939 15.791 ( -8.663 7.001 18.078) 21.234 16.775 ( 2.269 -6.586 4.790) 8.454 17.541 ( -17.074 -7.031 -10.528) 21.256 17.766 ( 1.427 -5.192 9.444) 10.871 19.508 ( -0.060 11.859 -15.503) 19.519 20.076 ( 3.961 -2.837 -4.859) 6.881 20.221 ( 0.655 1.221 -2.043) 2.468 20.552 ( -0.486 -5.502 3.692) 6.643 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 4.695 7.006 5.217) 9.917 3.247 ( 6.864 -2.936 8.781) 11.525 3.390 ( -3.377 0.633 9.362) 9.973 3.860 ( -3.619 0.587 -3.376) 4.984 4.438 ( -6.678 -7.237 0.810) 9.881 4.879 ( -0.990 -5.609 -1.306) 5.844 5.511 ( -1.304 -6.779 -7.549) 10.230 5.960 ( 1.174 5.834 1.123) 6.056 6.303 ( -3.408 0.715 0.772) 3.567 7.173 ( 19.640 14.709 0.846) 24.552 8.758 ( -12.118 -4.795 0.524) 13.043 8.999 ( -3.786 4.582 -3.463) 6.879 9.780 ( -0.999 -9.266 0.939) 9.367 10.444 ( 4.516 4.693 2.255) 6.892 10.585 ( 0.612 -0.755 6.772) 6.842 10.983 ( -6.900 1.868 2.660) 7.627 11.130 ( 1.082 -5.733 0.293) 5.841 12.476 ( 6.644 -2.120 -13.841) 15.499 13.541 ( 0.840 0.934 -1.422) 1.897 13.704 ( 0.395 -0.869 -3.020) 3.167 14.560 ( -5.825 2.676 5.622) 8.527 15.552 ( 1.743 -6.424 13.531) 15.079 15.934 ( -1.202 13.106 16.184) 20.860 16.801 ( 3.810 -1.397 3.633) 5.447 17.152 ( -12.838 -5.497 -13.038) 19.105 17.788 ( 2.328 -7.000 9.655) 12.151 19.539 ( 1.447 11.755 -16.888) 20.627 20.089 ( 3.705 -2.295 -3.844) 5.811 20.233 ( 0.594 1.465 -1.627) 2.269 20.517 ( -0.559 -4.576 4.215) 6.246 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -15.923 -8.652 6.809) 19.359 3.348 ( 4.119 1.749 -0.954) 4.576 3.494 ( 3.153 -0.951 10.003) 10.531 3.814 ( -2.726 0.923 1.236) 3.132 4.305 ( -2.473 -1.486 2.489) 3.810 4.875 ( 2.916 2.685 -2.735) 4.816 5.406 ( 3.586 -8.151 -11.575) 14.604 5.857 ( -10.109 -2.698 1.656) 10.593 6.386 ( 3.937 7.687 2.436) 8.973 7.420 ( -4.493 -4.133 -4.836) 7.788 8.541 ( -0.860 -0.155 0.289) 0.921 8.955 ( -7.141 8.532 -3.677) 11.718 9.697 ( 0.024 -10.337 0.840) 10.371 10.545 ( 1.319 1.417 2.095) 2.852 10.666 ( 3.941 4.130 7.659) 9.552 10.981 ( 2.566 3.627 1.683) 4.751 11.133 ( 1.064 -4.341 4.550) 6.378 12.442 ( 2.323 -2.173 -15.595) 15.916 13.550 ( -7.745 13.837 -2.050) 15.989 13.654 ( 5.578 -13.480 -2.327) 14.772 14.572 ( 1.215 1.705 5.333) 5.729 15.501 ( -7.062 -10.226 14.269) 18.921 16.016 ( -11.736 3.981 13.673) 18.453 16.857 ( -6.045 -5.282 -7.565) 11.031 16.973 ( 8.299 7.275 2.047) 11.224 17.856 ( 6.873 -4.607 7.699) 11.302 19.567 ( 1.293 10.732 -18.188) 21.158 20.107 ( 3.338 -2.086 -2.939) 4.912 20.250 ( 0.217 2.385 -1.283) 2.717 20.502 ( 0.535 -4.000 4.957) 6.392 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -20.591 -12.934 9.735) 26.192 3.300 ( -8.042 -6.717 2.991) 10.897 3.486 ( -5.705 -4.632 3.367) 8.083 3.875 ( 5.541 8.617 -0.629) 10.264 4.390 ( 8.446 1.919 3.623) 9.388 4.962 ( 2.560 7.309 -3.196) 8.378 5.323 ( 3.832 -8.112 -9.982) 13.422 5.698 ( -5.535 -5.034 2.721) 7.961 6.518 ( -3.161 7.198 2.526) 8.257 6.935 ( -24.481 -17.380 -4.600) 30.373 8.722 ( 10.635 4.340 -1.807) 11.627 8.888 ( -5.962 7.450 -2.218) 9.796 9.604 ( -0.382 -5.583 0.321) 5.605 10.576 ( -0.872 0.515 5.329) 5.424 10.851 ( 6.572 6.883 3.522) 10.148 11.076 ( -2.757 -7.260 10.268) 12.874 11.157 ( 10.038 3.430 -4.605) 11.564 12.325 ( -2.630 -1.438 -15.370) 15.660 13.456 ( -7.829 0.821 -4.349) 8.993 13.714 ( 7.851 1.099 1.401) 8.050 14.678 ( 4.544 1.045 5.719) 7.379 15.320 ( -8.656 -10.175 5.376) 14.401 15.832 ( -20.052 -1.068 16.314) 25.872 16.703 ( -2.161 -5.093 -2.808) 6.204 17.228 ( 8.749 7.625 3.969) 12.266 18.022 ( 10.761 -0.419 5.236) 11.974 19.564 ( 0.288 9.477 -19.964) 22.100 20.127 ( 3.021 -1.606 -1.844) 3.887 20.264 ( -0.755 2.720 -1.618) 3.254 20.521 ( 2.362 -3.866 5.800) 7.360 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -21.220 -14.920 16.780) 30.894 2.963 ( -22.820 -13.683 7.892) 27.754 3.417 ( 0.235 1.069 -2.462) 2.694 4.060 ( 5.092 8.122 -3.538) 10.218 4.595 ( 11.919 -1.186 1.569) 12.080 4.972 ( -6.570 -5.816 -3.150) 9.323 5.267 ( -1.722 1.234 0.475) 2.171 5.589 ( -1.001 -7.632 3.203) 8.337 6.161 ( -21.161 -6.154 -2.452) 22.174 6.761 ( 1.068 3.992 0.843) 4.217 8.724 ( -5.079 -0.595 -2.599) 5.736 8.942 ( 0.827 1.214 1.408) 2.035 9.655 ( 7.879 4.682 -1.080) 9.229 10.588 ( -2.520 0.620 5.879) 6.427 10.938 ( -9.052 -6.366 8.973) 14.247 11.043 ( 7.914 1.394 -2.951) 8.560 11.354 ( 11.704 1.984 -5.282) 12.993 12.188 ( -1.979 1.259 -10.741) 10.994 13.304 ( -5.249 -4.020 -3.405) 7.437 13.871 ( 3.541 3.394 3.161) 5.835 14.736 ( -3.945 -0.872 2.850) 4.944 15.160 ( -0.630 -4.494 1.918) 4.927 15.616 ( -14.529 0.042 16.646) 22.095 16.636 ( -0.035 -5.630 2.137) 6.022 17.424 ( 4.382 4.662 3.494) 7.290 18.245 ( 11.026 2.359 2.515) 11.552 19.525 ( -0.187 8.979 -21.605) 23.397 20.157 ( 2.820 -0.747 -0.717) 3.004 20.254 ( -1.566 1.763 -2.155) 3.195 20.569 ( 3.516 -4.283 5.981) 8.153 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 24.613 35.030 14.471) 45.192 1.520 ( -21.073 38.084 14.907) 46.007 3.068 ( -0.236 6.444 53.117) 53.507 3.699 ( 0.654 -6.916 -1.300) 7.068 4.499 ( -4.508 -8.911 -16.038) 18.893 4.889 ( -0.201 10.025 -16.320) 19.154 5.859 ( 4.840 -7.370 -4.296) 9.808 6.252 ( -9.191 -10.468 11.912) 18.329 6.626 ( 5.900 6.460 7.185) 11.321 7.126 ( -0.404 -36.679 7.161) 37.374 8.564 ( 4.445 -3.002 1.088) 5.473 8.794 ( -1.228 6.580 1.942) 6.969 10.215 ( 2.798 6.461 -3.182) 7.726 10.347 ( -9.455 14.191 4.179) 17.557 10.384 ( 4.800 2.628 0.017) 5.472 10.524 ( -0.423 4.903 1.838) 5.254 12.230 ( -0.476 -21.473 -2.622) 21.637 12.522 ( -0.426 -11.204 -0.729) 11.236 13.043 ( -9.713 2.985 -0.508) 10.174 13.244 ( 6.718 17.965 4.871) 19.789 14.109 ( 23.184 13.072 -8.627) 27.979 14.369 ( -18.902 27.322 -5.956) 33.753 16.484 ( 5.598 -20.314 8.923) 22.882 16.803 ( -6.966 2.637 13.102) 15.071 17.343 ( 0.921 8.986 2.498) 9.372 18.533 ( 0.074 -4.750 -0.339) 4.762 19.761 ( 8.144 -19.209 -3.606) 21.173 20.046 ( -5.772 0.807 -6.069) 8.414 20.186 ( 0.629 1.226 -3.241) 3.522 20.543 ( -2.455 7.421 0.910) 7.869 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -2.055 37.175 10.961) 38.812 2.264 ( 24.998 25.334 17.737) 39.766 3.524 ( 7.951 13.596 33.587) 37.097 3.614 ( 1.144 -4.743 4.301) 6.505 4.285 ( 2.220 -10.248 -12.501) 16.317 4.817 ( -5.110 1.361 -12.120) 13.224 5.755 ( -9.109 -3.884 -0.515) 9.916 6.126 ( 1.546 -14.191 5.931) 15.459 6.583 ( -9.646 -17.768 4.477) 20.708 6.918 ( -3.369 2.110 10.704) 11.418 8.631 ( 4.396 -0.518 0.829) 4.504 8.908 ( 4.280 5.614 2.037) 7.347 10.119 ( -9.337 8.334 1.937) 12.664 10.278 ( -0.803 -5.059 1.283) 5.281 10.547 ( -4.659 5.856 2.572) 7.913 10.841 ( 23.118 9.087 -4.050) 25.168 11.909 ( -10.625 -19.004 -1.535) 21.827 12.367 ( -3.420 -9.464 -3.100) 10.530 12.968 ( 2.399 -4.105 0.498) 4.780 13.663 ( 11.977 22.146 4.749) 25.621 14.328 ( -13.216 27.359 -3.349) 30.568 14.579 ( 22.481 11.446 -11.819) 27.858 16.355 ( -4.568 -19.187 9.000) 21.680 16.756 ( -7.656 2.285 12.377) 14.732 17.515 ( 6.346 5.077 4.810) 9.444 18.409 ( -7.501 -6.977 -1.944) 10.427 19.670 ( 1.961 -12.063 -5.930) 13.584 19.934 ( -1.851 0.294 -6.561) 6.823 20.188 ( 0.870 0.407 -2.920) 3.074 20.570 ( -1.019 2.022 2.082) 3.076 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 7.590 30.995 6.781) 32.623 2.820 ( 7.140 7.758 28.337) 30.235 3.506 ( -3.277 -1.397 2.357) 4.271 4.037 ( 8.244 7.111 -10.866) 15.382 4.401 ( 22.596 2.786 8.974) 24.472 4.656 ( -0.617 -1.875 -0.402) 2.015 5.517 ( -14.698 -5.517 5.513) 16.639 5.967 ( -4.283 -19.539 -1.370) 20.050 6.413 ( -0.808 0.441 2.278) 2.457 6.933 ( -6.225 3.219 7.142) 10.006 8.725 ( 5.349 1.851 0.955) 5.740 9.016 ( 1.359 4.464 1.296) 4.843 10.110 ( -0.995 -0.082 0.497) 1.115 10.250 ( 0.847 -1.242 4.997) 5.219 10.517 ( -6.908 5.834 3.233) 9.603 11.166 ( 11.817 1.400 -5.876) 13.271 11.540 ( -12.338 -14.082 -0.735) 18.737 12.234 ( 0.786 -5.731 -6.079) 8.392 13.026 ( 10.289 -8.523 1.780) 13.479 13.983 ( -3.800 23.252 -3.244) 23.783 14.495 ( 3.167 25.648 5.621) 26.447 14.901 ( 15.243 2.314 -6.644) 16.788 16.135 ( -9.191 -10.206 9.912) 16.938 16.748 ( -3.024 -0.994 10.728) 11.191 17.667 ( 4.784 -0.820 6.137) 7.825 18.126 ( -14.898 -7.868 -4.559) 17.454 19.551 ( -0.927 -1.851 -10.808) 11.004 19.912 ( 3.924 -2.688 -4.890) 6.822 20.191 ( 1.072 0.407 -2.699) 2.933 20.572 ( -0.967 -1.282 2.901) 3.316 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 9.267 23.609 3.998) 25.675 3.081 ( 1.448 0.722 26.274) 26.323 3.499 ( -1.034 2.306 5.038) 5.636 4.027 ( -1.537 -1.553 -9.278) 9.532 4.402 ( 2.132 -8.295 -7.597) 11.449 5.128 ( 3.302 -2.648 5.839) 7.212 5.334 ( 12.519 6.020 8.511) 16.291 5.687 ( -6.130 -13.008 -3.564) 14.815 6.460 ( -0.060 3.075 -2.879) 4.212 6.905 ( -3.676 6.802 6.482) 10.089 8.828 ( 4.575 -1.331 0.251) 4.771 9.077 ( -0.810 7.976 0.356) 8.025 9.992 ( -6.170 -10.436 -0.187) 12.125 10.362 ( 2.072 6.730 6.493) 9.578 10.507 ( -1.294 3.259 4.408) 5.633 11.163 ( -1.050 -10.987 -5.697) 12.420 11.275 ( -8.779 -3.070 1.797) 9.472 12.223 ( 6.685 -1.066 -9.988) 12.066 13.150 ( 13.383 -10.772 3.202) 17.475 14.013 ( -11.862 21.429 -7.398) 25.586 14.773 ( -2.129 7.989 7.066) 10.876 15.156 ( 16.445 5.425 2.156) 17.450 16.038 ( -3.943 0.862 12.882) 13.499 16.753 ( -1.379 -2.715 8.991) 9.493 17.661 ( -9.016 -9.885 -5.412) 14.432 17.797 ( -7.814 -2.325 3.828) 9.007 19.489 ( 1.659 3.147 -14.186) 14.626 19.935 ( 4.821 -2.836 -3.523) 6.610 20.200 ( 1.274 0.642 -2.422) 2.810 20.552 ( -1.375 -2.214 3.198) 4.126 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 6.230 15.598 4.207) 17.315 3.218 ( 1.287 -2.737 13.590) 13.922 3.534 ( -4.606 2.131 10.170) 11.366 3.906 ( -3.723 0.608 -4.781) 6.090 4.389 ( 5.621 -4.510 -3.714) 8.108 4.878 ( -10.187 -11.063 2.019) 15.174 5.434 ( -3.541 -10.219 -6.374) 12.554 5.858 ( 17.779 7.451 1.239) 19.317 6.349 ( -6.730 -8.231 -0.687) 10.655 7.129 ( 9.369 21.344 1.640) 23.367 8.802 ( -2.681 -8.512 -0.919) 8.972 9.150 ( -3.482 12.316 -0.161) 12.800 9.764 ( -7.184 -9.607 0.317) 12.000 10.464 ( 0.304 4.147 4.572) 6.180 10.582 ( 3.231 -0.753 6.591) 7.379 11.028 ( 0.248 -6.895 -3.372) 7.680 11.137 ( -6.362 -1.648 3.762) 7.572 12.274 ( 6.683 1.185 -12.545) 14.263 13.287 ( 12.851 -11.608 3.906) 17.752 13.949 ( -12.938 18.079 -7.362) 23.419 14.717 ( -7.435 -2.391 4.220) 8.877 15.469 ( 9.770 -0.352 8.690) 13.080 16.172 ( 1.100 9.502 17.465) 19.913 16.767 ( 1.210 -3.050 6.498) 7.279 17.270 ( -16.175 -4.005 -12.906) 21.077 17.761 ( -0.617 -5.963 8.047) 10.035 19.486 ( 3.618 5.363 -16.258) 17.498 19.971 ( 4.438 -2.340 -2.407) 5.564 20.218 ( 1.473 1.209 -2.106) 2.840 20.526 ( -1.564 -2.060 3.314) 4.204 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( -10.637 -8.525 7.674) 15.643 3.326 ( 3.662 9.985 -0.558) 10.650 3.534 ( -1.627 -0.330 10.866) 10.992 3.883 ( -1.969 2.834 0.281) 3.462 4.382 ( -3.609 0.093 2.866) 4.609 4.744 ( 5.766 -5.813 -4.900) 9.542 5.259 ( -1.649 -6.887 -7.782) 10.521 5.965 ( -7.360 -5.617 -1.993) 9.471 6.295 ( 10.914 -3.498 3.275) 11.920 7.474 ( 2.697 18.090 -4.705) 18.885 8.595 ( -7.977 -7.665 0.806) 11.092 9.157 ( -7.615 9.020 -1.055) 11.851 9.619 ( -1.542 -6.359 0.001) 6.543 10.534 ( 2.602 0.377 4.201) 4.956 10.668 ( 3.835 -1.260 7.731) 8.721 10.968 ( -0.036 -0.417 -3.633) 3.657 11.113 ( 0.897 -2.680 5.542) 6.221 12.306 ( 3.655 3.053 -12.919) 13.769 13.381 ( 9.488 -12.527 2.027) 15.844 13.856 ( -12.340 16.159 -5.449) 21.050 14.620 ( -2.944 -2.228 4.227) 5.612 15.544 ( -1.608 -9.918 11.917) 15.587 16.330 ( -7.084 4.299 18.136) 19.940 16.796 ( 2.383 -5.561 -6.578) 8.937 17.012 ( -4.892 7.445 -0.953) 8.959 17.769 ( 3.124 -4.055 6.615) 8.365 19.504 ( 3.733 6.260 -17.775) 19.211 20.008 ( 3.843 -1.977 -1.469) 4.565 20.248 ( 1.598 2.282 -2.223) 3.565 20.503 ( -1.233 -2.074 3.642) 4.369 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -17.416 -12.550 8.261) 23.001 3.372 ( -3.937 1.293 -0.156) 4.147 3.581 ( -3.654 -0.423 7.007) 7.913 3.894 ( 0.898 6.074 0.572) 6.167 4.368 ( -0.910 1.600 3.997) 4.400 4.813 ( 10.836 -4.056 -10.076) 15.343 5.186 ( 2.170 0.214 -4.239) 4.767 5.739 ( -6.859 -10.595 1.416) 12.700 6.504 ( 11.355 1.112 2.005) 11.584 7.289 ( -29.488 -1.268 -4.482) 29.854 8.599 ( 8.284 4.841 0.644) 9.616 9.078 ( -8.641 5.796 -1.757) 10.552 9.556 ( -0.245 -4.096 0.752) 4.172 10.598 ( 1.572 -0.921 5.376) 5.677 10.797 ( 7.333 -0.530 5.995) 9.486 10.997 ( 5.996 0.533 -5.027) 7.843 11.118 ( -1.149 -2.922 4.525) 5.508 12.290 ( -1.352 4.610 -12.069) 12.990 13.367 ( 3.698 -11.947 -3.742) 13.054 13.832 ( -6.006 15.911 0.485) 17.013 14.643 ( 3.527 -1.597 6.638) 7.685 15.400 ( -8.718 -11.950 7.627) 16.643 16.218 ( -16.641 -5.446 17.238) 24.571 16.676 ( -1.915 -1.911 -9.353) 9.736 17.188 ( 7.691 6.918 7.924) 13.030 17.885 ( 8.467 0.812 4.413) 9.583 19.508 ( 2.363 6.896 -19.226) 20.561 20.045 ( 3.497 -1.621 -0.484) 3.884 20.281 ( 0.739 3.291 -3.431) 4.811 20.492 ( 0.118 -2.921 4.433) 5.310 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -19.081 -13.880 13.860) 27.365 3.245 ( -13.516 -3.433 3.848) 14.466 3.461 ( -7.924 -1.783 2.730) 8.569 4.035 ( 5.168 9.813 -4.043) 11.804 4.427 ( 7.145 -4.302 2.677) 8.759 4.869 ( 6.480 -4.325 -8.308) 11.389 5.277 ( 4.635 7.309 -0.488) 8.669 5.562 ( -4.654 -10.615 2.311) 11.819 6.627 ( -32.413 -0.497 4.746) 32.762 6.712 ( 4.003 -1.647 -2.085) 4.805 8.756 ( 2.048 1.116 -0.379) 2.363 9.001 ( -4.869 5.498 -0.355) 7.352 9.579 ( 5.155 1.689 1.266) 5.570 10.630 ( 0.194 -2.361 5.255) 5.764 10.887 ( 1.875 -8.649 0.800) 8.886 11.085 ( 3.703 0.957 4.216) 5.692 11.135 ( 6.657 3.516 -6.717) 10.089 12.211 ( -4.621 5.111 -9.718) 11.912 13.257 ( -0.767 -8.578 -6.065) 10.534 13.962 ( 0.472 14.161 4.923) 14.999 14.747 ( 3.674 -2.444 8.018) 9.152 15.180 ( -6.989 -7.285 2.200) 10.333 15.939 ( -17.485 -10.801 15.993) 26.042 16.607 ( -0.617 -1.583 -2.105) 2.704 17.406 ( 6.116 3.676 6.455) 9.623 18.094 ( 10.927 3.079 1.995) 11.526 19.489 ( 0.774 8.778 -19.941) 21.801 20.089 ( 3.454 -1.237 0.242) 3.677 20.283 ( -1.241 2.944 -4.639) 5.632 20.506 ( 2.102 -4.158 4.675) 6.600 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 0.616 33.146 11.046) 34.944 2.330 ( -21.249 25.868 17.440) 37.747 3.438 ( -0.432 2.349 19.185) 19.333 3.671 ( -7.927 4.180 14.199) 16.790 4.465 ( -6.841 -2.516 -8.043) 10.854 4.889 ( 1.353 10.687 -15.345) 18.749 5.618 ( 9.538 -10.947 0.999) 14.554 6.354 ( -3.356 -9.990 3.271) 11.035 6.561 ( 1.901 -10.357 8.992) 13.847 6.722 ( 18.152 -13.106 8.224) 23.852 8.557 ( -3.901 -0.786 1.996) 4.452 8.898 ( -2.816 3.523 2.366) 5.093 10.132 ( 7.445 9.761 0.947) 12.312 10.286 ( 1.467 -6.517 3.346) 7.471 10.560 ( 3.570 5.741 1.905) 7.024 10.888 ( -22.758 12.573 -5.202) 26.515 11.943 ( 8.592 -16.319 -2.730) 18.644 12.380 ( 2.207 -10.551 -1.330) 10.861 13.295 ( -4.785 15.693 -0.270) 16.409 13.445 ( -17.406 0.435 5.792) 18.350 13.863 ( 16.279 14.705 -8.118) 23.391 14.885 ( -15.204 24.768 -6.711) 29.827 16.194 ( 9.671 -22.251 8.737) 25.787 16.946 ( 2.848 6.212 11.148) 13.076 17.510 ( -7.488 5.998 6.058) 11.347 18.406 ( 8.194 -7.629 -0.590) 11.212 19.427 ( 4.330 -18.570 -5.700) 19.902 20.080 ( -1.588 1.701 -5.594) 6.059 20.171 ( -0.496 -0.175 -2.884) 2.932 20.652 ( -1.542 5.809 -0.737) 6.055 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 14.297 32.540 10.891) 37.174 2.411 ( -9.064 33.718 11.432) 36.739 3.533 ( 2.667 -7.065 0.645) 7.579 3.785 ( 2.310 9.250 29.992) 31.471 4.235 ( -12.054 0.288 -5.759) 13.362 4.853 ( -4.688 3.015 -11.308) 12.608 5.672 ( 7.851 -7.183 -3.082) 11.079 6.125 ( -9.961 -15.505 6.582) 19.569 6.488 ( 0.965 -19.124 5.709) 19.981 6.927 ( 8.727 -1.066 6.121) 10.712 8.563 ( 2.416 0.537 2.743) 3.695 8.937 ( 0.735 5.628 1.548) 5.883 10.142 ( -0.875 -8.445 2.047) 8.734 10.500 ( -1.161 7.319 -3.584) 8.232 10.601 ( 6.231 7.688 1.308) 9.982 10.730 ( -8.048 14.116 3.399) 16.601 11.802 ( -1.461 -18.947 -2.398) 19.153 12.268 ( 0.190 -13.056 -2.192) 13.240 13.075 ( -15.345 1.634 -0.310) 15.435 13.687 ( 14.035 17.801 6.318) 23.532 14.286 ( 18.331 17.140 -8.620) 26.535 14.837 ( -15.851 28.556 -7.743) 33.566 16.164 ( 6.190 -21.102 7.276) 23.164 17.028 ( -7.398 3.207 13.800) 15.983 17.530 ( -0.278 5.331 4.566) 7.025 18.394 ( -0.247 -8.112 -1.564) 8.265 19.338 ( 10.115 -19.760 -3.617) 22.492 19.997 ( -5.147 1.779 -6.127) 8.197 20.156 ( 0.802 -0.097 -2.991) 3.098 20.646 ( -3.241 3.057 -0.459) 4.479 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -3.102 29.390 6.146) 30.186 2.928 ( 12.947 19.636 18.395) 29.859 3.484 ( 0.939 -6.112 0.548) 6.208 4.021 ( -2.896 -2.623 -7.322) 8.299 4.239 ( 10.872 19.435 15.639) 27.212 4.691 ( -6.159 -3.160 -1.443) 7.071 5.661 ( -2.238 -5.229 -1.018) 5.778 5.832 ( -7.594 -20.169 3.615) 21.853 6.390 ( 1.796 -6.685 1.578) 7.100 7.036 ( 0.804 -0.493 5.321) 5.404 8.651 ( 4.861 0.900 1.955) 5.316 9.030 ( 2.932 4.807 0.652) 5.668 10.057 ( -0.197 -10.082 2.356) 10.355 10.404 ( -8.012 8.885 0.850) 11.994 10.727 ( -7.045 8.643 3.794) 11.779 10.939 ( 13.436 5.117 -2.568) 14.605 11.551 ( -6.118 -15.064 -1.088) 16.295 12.130 ( -0.027 -10.444 -3.298) 10.952 12.923 ( -3.455 -0.088 -0.779) 3.543 14.131 ( 12.250 15.216 5.361) 20.257 14.644 ( 11.913 10.939 -3.639) 16.578 14.842 ( -9.017 28.280 -7.853) 30.704 16.096 ( 2.413 -14.523 6.172) 15.964 16.975 ( -10.946 2.922 13.417) 17.561 17.616 ( 3.166 -0.718 3.797) 4.995 18.226 ( -8.430 -7.925 -2.787) 11.901 19.313 ( 10.282 -16.285 -5.526) 20.037 19.903 ( -3.901 3.185 -5.575) 7.513 20.156 ( 1.259 -0.037 -2.704) 2.984 20.614 ( -2.579 0.523 0.938) 2.793 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 2.852 23.548 4.083) 24.069 3.260 ( -1.776 3.862 21.131) 21.554 3.524 ( 6.218 2.175 4.461) 7.956 3.945 ( 0.372 1.334 -7.200) 7.332 4.336 ( -5.827 -5.308 -7.512) 10.889 4.952 ( 19.468 11.553 10.931) 25.139 5.440 ( -14.140 -9.278 4.559) 17.516 5.596 ( -0.870 -13.555 -2.256) 13.769 6.419 ( 3.759 -0.657 -4.063) 5.575 7.049 ( -1.999 3.680 5.435) 6.861 8.738 ( 3.949 -1.586 0.275) 4.265 9.136 ( 3.344 6.571 0.413) 7.385 9.956 ( -1.812 -11.186 2.363) 11.575 10.438 ( -0.349 8.093 2.962) 8.626 10.686 ( -9.094 6.623 4.312) 12.049 11.032 ( 1.444 -7.197 -4.046) 8.382 11.353 ( -4.796 -6.170 0.751) 7.851 12.070 ( 4.438 -3.039 -5.343) 7.582 12.928 ( 5.286 -3.301 0.843) 6.289 14.345 ( -4.762 14.145 -1.364) 14.987 14.822 ( 2.787 1.941 -2.667) 4.318 15.051 ( 7.834 19.271 2.255) 20.924 16.093 ( 3.162 -1.842 8.247) 9.022 16.897 ( -9.109 0.731 10.171) 13.673 17.616 ( -0.716 -8.790 -0.803) 8.855 17.971 ( -12.150 -3.056 0.110) 12.529 19.297 ( 8.699 -9.875 -9.618) 16.300 19.873 ( -0.030 2.598 -3.396) 4.276 20.165 ( 1.559 0.277 -2.354) 2.837 20.585 ( -1.915 -0.534 1.865) 2.726 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 4.210 15.331 5.398) 16.789 3.296 ( -3.348 -0.840 9.207) 9.833 3.704 ( -0.969 7.253 13.754) 15.580 3.921 ( -1.151 -0.082 -6.026) 6.135 4.205 ( 4.625 -3.835 -5.299) 8.011 4.995 ( -13.558 -12.143 3.082) 18.460 5.331 ( 0.856 -9.153 -4.117) 10.072 5.638 ( 14.714 5.438 2.959) 15.964 6.343 ( -4.528 -9.591 -4.925) 11.694 7.217 ( 6.648 19.172 2.703) 20.471 8.733 ( 0.469 -6.376 -1.315) 6.527 9.275 ( 2.577 9.077 0.735) 9.464 9.801 ( -6.137 -9.054 1.815) 11.088 10.528 ( 0.967 2.124 4.148) 4.759 10.617 ( -5.942 2.006 2.729) 6.840 10.944 ( 0.174 -4.857 0.153) 4.862 11.222 ( -5.509 -4.911 0.305) 7.387 12.133 ( 6.149 3.429 -7.178) 10.054 13.024 ( 9.632 -6.463 3.095) 12.005 14.314 ( -12.738 16.345 -4.537) 21.213 14.769 ( -3.090 -6.587 -1.517) 7.432 15.370 ( 9.768 6.239 6.498) 13.287 16.279 ( 6.244 7.130 14.668) 17.464 16.798 ( -5.981 -2.878 1.651) 6.840 17.398 ( -10.039 -7.630 -6.167) 14.037 17.825 ( -6.710 -0.795 6.560) 9.417 19.305 ( 8.396 -4.094 -12.917) 15.941 19.897 ( 2.054 1.344 -1.517) 2.886 20.186 ( 1.870 0.866 -2.062) 2.915 20.561 ( -1.819 -0.428 2.275) 2.944 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( -6.611 -8.608 8.347) 13.693 3.406 ( 3.262 16.168 -0.360) 16.497 3.678 ( -9.168 -1.828 7.891) 12.233 3.928 ( 0.253 3.965 1.141) 4.134 4.336 ( 11.594 2.035 -2.102) 11.958 4.682 ( -10.887 -9.096 -0.029) 14.187 5.198 ( -1.941 -6.228 -4.421) 7.881 5.930 ( 9.726 1.086 -2.775) 10.172 6.096 ( -2.039 -15.810 0.495) 15.949 7.585 ( 7.601 25.566 -3.053) 26.846 8.622 ( -3.978 -8.512 0.084) 9.396 9.322 ( -4.948 -0.002 0.862) 5.023 9.658 ( -5.438 2.012 -0.094) 5.799 10.531 ( -0.436 -3.183 5.232) 6.140 10.615 ( 2.764 -2.187 2.998) 4.627 10.944 ( 0.257 -0.615 0.405) 0.780 11.113 ( -1.583 -3.334 0.826) 3.783 12.228 ( 4.253 6.834 -7.451) 10.969 13.133 ( 9.072 -9.049 3.379) 13.251 14.208 ( -14.394 16.057 -5.446) 22.241 14.643 ( -2.142 -6.748 0.640) 7.109 15.535 ( 2.005 -4.599 10.904) 12.003 16.511 ( 2.042 0.319 16.594) 16.722 16.666 ( -1.989 -3.338 -10.872) 11.546 17.186 ( -7.207 2.165 0.324) 7.532 17.780 ( -2.872 0.025 7.204) 7.756 19.338 ( 7.846 -0.136 -15.069) 16.990 19.940 ( 2.533 0.463 -0.247) 2.587 20.220 ( 2.202 1.756 -2.175) 3.559 20.541 ( -2.074 -0.137 2.456) 3.217 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -13.038 -11.449 6.558) 18.549 3.496 ( -7.244 5.238 -0.579) 8.958 3.656 ( 1.488 3.957 5.751) 7.138 3.956 ( -1.186 4.384 1.570) 4.805 4.450 ( -5.437 -9.642 -5.034) 12.160 4.539 ( 8.692 4.026 0.647) 9.601 5.147 ( 1.933 1.440 -2.685) 3.608 5.750 ( -7.636 -12.061 -0.551) 14.286 6.243 ( 16.893 -4.215 -0.113) 17.411 7.731 ( -16.675 14.272 -4.956) 22.501 8.541 ( 3.207 -0.111 2.884) 4.315 9.191 ( -4.263 -5.574 -0.331) 7.025 9.614 ( -6.407 6.052 -0.010) 8.814 10.571 ( 3.547 -3.368 6.019) 7.755 10.675 ( 6.716 -3.687 2.370) 8.020 10.917 ( -0.264 -2.412 -2.091) 3.203 11.115 ( 1.652 -0.083 0.944) 1.905 12.306 ( 0.680 8.732 -7.146) 11.304 13.169 ( 5.026 -10.025 -0.225) 11.216 14.116 ( -10.076 14.291 -2.267) 17.632 14.607 ( 2.135 -3.436 4.272) 5.883 15.471 ( -7.027 -11.196 9.751) 16.426 16.478 ( -11.766 -8.787 13.127) 19.697 16.573 ( 3.691 -1.562 -13.435) 14.020 17.225 ( 2.026 5.296 8.664) 10.354 17.833 ( 2.908 3.434 4.991) 6.720 19.376 ( 6.272 2.949 -16.250) 17.667 19.986 ( 2.538 0.033 0.747) 2.646 20.263 ( 2.059 2.641 -3.296) 4.699 20.518 ( -2.193 -0.605 2.806) 3.612 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -16.022 -11.350 10.129) 22.094 3.393 ( -7.164 0.773 0.180) 7.208 3.663 ( -9.944 0.900 5.836) 11.564 4.046 ( 2.303 10.322 -2.814) 10.944 4.261 ( 2.645 -13.368 -4.646) 14.398 4.699 ( 6.785 1.800 0.716) 7.056 5.238 ( 5.859 4.705 -2.618) 7.957 5.573 ( -4.255 -5.354 2.611) 7.320 6.476 ( 15.660 -3.738 -1.376) 16.159 7.297 ( -37.837 3.255 1.872) 38.023 8.701 ( 6.595 3.849 0.873) 7.686 9.114 ( -1.326 0.280 -0.897) 1.626 9.571 ( -2.936 2.922 2.217) 4.698 10.604 ( 1.857 -6.445 5.560) 8.712 10.807 ( 5.591 -1.765 3.334) 6.745 10.872 ( 5.292 -4.095 -8.440) 10.771 11.158 ( 1.706 2.522 0.749) 3.136 12.312 ( -4.795 8.537 -7.114) 12.103 13.129 ( 2.382 -7.295 -3.897) 8.607 14.140 ( -2.797 12.867 2.340) 13.374 14.689 ( 5.718 -2.580 8.315) 10.416 15.261 ( -9.208 -9.515 4.456) 13.971 16.181 ( -16.981 -15.148 11.708) 25.591 16.571 ( 2.585 1.220 -6.706) 7.290 17.381 ( 5.028 1.346 9.197) 10.568 17.980 ( 7.366 3.662 0.904) 8.276 19.413 ( 4.409 7.000 -15.782) 17.818 20.034 ( 2.532 -0.143 1.248) 2.827 20.288 ( 0.443 2.940 -5.392) 6.157 20.493 ( -1.273 -2.146 3.586) 4.369 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -11.361 26.203 7.655) 29.568 2.872 ( -8.438 10.911 24.860) 28.430 3.403 ( 1.512 -4.184 1.579) 4.721 4.015 ( -9.000 2.643 -6.656) 11.501 4.712 ( -17.470 14.743 10.788) 25.277 4.859 ( 4.210 11.256 -8.748) 14.865 5.374 ( 8.722 -10.711 4.458) 14.514 6.174 ( 5.468 -16.521 2.785) 17.624 6.393 ( 15.573 0.431 -2.596) 15.794 6.592 ( -5.955 -10.799 11.139) 16.618 8.654 ( -5.348 -0.398 1.895) 5.688 8.982 ( -2.654 3.094 1.992) 4.537 10.170 ( 2.146 10.429 0.754) 10.674 10.217 ( -0.382 -10.726 3.395) 11.257 10.556 ( 5.124 6.712 4.339) 9.494 11.177 ( -6.249 0.705 -5.715) 8.498 11.644 ( 10.123 -7.701 -3.853) 13.290 12.293 ( -3.502 -4.381 -2.702) 6.226 13.424 ( -1.925 2.266 -5.517) 6.267 13.777 ( 10.483 22.082 -0.420) 24.447 13.875 ( -27.113 -0.765 4.985) 27.578 15.245 ( -5.808 17.724 -1.188) 18.689 15.885 ( 7.517 -20.192 9.792) 23.667 16.988 ( 6.224 7.379 6.993) 11.920 17.730 ( -5.851 4.038 10.789) 12.921 18.102 ( 15.888 -10.163 -2.522) 19.028 19.222 ( -4.531 -14.265 -10.516) 18.292 20.079 ( -0.274 2.412 -5.632) 6.133 20.168 ( -1.532 -0.621 -2.372) 2.892 20.689 ( 1.816 3.661 -0.644) 4.137 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 7.119 33.667 7.713) 35.265 2.936 ( -12.024 15.559 14.360) 24.349 3.431 ( 3.622 -3.549 3.203) 5.998 3.902 ( -2.197 -0.412 -0.919) 2.417 4.613 ( -17.444 14.218 7.789) 23.814 4.896 ( -3.839 4.036 -6.190) 8.327 5.431 ( 8.899 -9.660 0.925) 13.167 6.080 ( 1.141 -15.108 0.610) 15.163 6.389 ( -5.126 -12.696 7.211) 15.475 6.719 ( 16.080 -2.008 4.034) 16.699 8.608 ( -2.652 2.035 3.259) 4.669 8.994 ( -1.251 4.214 1.025) 4.514 10.102 ( -2.449 -10.379 4.125) 11.434 10.404 ( 10.946 10.473 -0.063) 15.149 10.670 ( -0.668 3.379 1.882) 3.925 11.056 ( -8.933 9.252 -2.805) 13.163 11.620 ( 1.662 -12.395 -2.811) 12.818 12.132 ( -2.486 -11.982 -2.448) 12.480 13.439 ( -23.258 -0.852 3.176) 23.490 13.588 ( 12.898 11.946 -4.478) 18.142 14.210 ( 12.142 23.493 0.184) 26.446 15.280 ( -11.172 21.522 -2.888) 24.421 15.881 ( 8.794 -18.434 6.977) 21.583 17.166 ( 2.357 4.812 6.788) 8.648 17.710 ( -9.007 4.643 10.373) 14.501 18.219 ( 10.096 -10.136 -1.759) 14.414 18.999 ( 3.463 -18.171 -5.987) 19.443 20.041 ( -2.498 1.579 -5.609) 6.340 20.130 ( -0.282 -0.551 -2.414) 2.492 20.705 ( -1.654 1.593 -1.892) 2.975 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 3.161 23.179 1.688) 23.454 3.051 ( 2.842 18.945 12.332) 22.783 3.448 ( -0.865 -2.406 3.376) 4.235 3.932 ( 5.127 -0.970 0.918) 5.298 4.511 ( -11.066 9.782 -3.027) 15.077 4.801 ( -7.355 2.823 7.561) 10.920 5.479 ( 7.483 -11.824 -0.191) 13.994 5.907 ( -9.626 -8.386 2.635) 13.035 6.273 ( 1.676 -8.517 1.722) 8.850 6.946 ( 10.762 -3.427 3.779) 11.910 8.640 ( 0.555 3.187 3.355) 4.661 9.029 ( 1.100 2.591 -0.163) 2.819 9.992 ( -1.445 -10.343 3.563) 11.034 10.571 ( -3.191 3.874 -1.361) 5.201 10.750 ( 8.548 6.283 0.540) 10.623 11.037 ( -7.378 13.167 1.615) 15.179 11.468 ( -2.508 -12.273 -1.401) 12.604 11.982 ( 1.158 -13.003 -2.538) 13.299 13.116 ( -16.756 3.054 0.038) 17.032 13.947 ( 19.263 5.991 -3.037) 20.401 14.613 ( 9.689 18.473 3.058) 21.082 15.264 ( -13.087 22.438 -3.573) 26.220 15.916 ( 7.913 -9.379 3.786) 12.842 17.224 ( -5.190 2.436 7.964) 9.813 17.651 ( -6.675 0.697 4.969) 8.350 18.209 ( 0.722 -7.846 -1.199) 7.970 18.920 ( 11.100 -19.032 -3.398) 22.292 19.970 ( -3.985 2.418 -5.045) 6.868 20.119 ( 1.003 -0.319 -2.186) 2.426 20.663 ( -2.631 0.002 -0.987) 2.810 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 0.645 15.085 1.811) 15.207 3.411 ( 2.745 -0.082 0.209) 2.754 3.441 ( 5.317 12.267 12.597) 18.369 3.984 ( -1.697 1.735 2.400) 3.413 4.352 ( -6.517 -3.351 -9.143) 11.717 4.915 ( 5.456 8.268 11.620) 15.270 5.417 ( 1.461 -16.498 -0.710) 16.578 5.661 ( -14.228 -2.137 4.933) 15.210 6.292 ( 5.542 -1.279 -5.577) 7.966 7.074 ( 5.468 0.175 4.198) 6.896 8.696 ( 0.656 0.935 1.576) 1.947 9.092 ( 5.385 0.698 -0.251) 5.435 9.896 ( -1.184 -9.084 2.894) 9.608 10.551 ( -2.758 6.266 -0.090) 6.846 10.852 ( -1.353 -2.390 -0.222) 2.755 11.046 ( -6.930 9.613 2.303) 12.072 11.334 ( -1.380 -6.901 -0.431) 7.051 11.918 ( 5.744 -7.448 -1.548) 9.532 12.945 ( -7.284 3.097 -0.717) 7.948 14.251 ( 16.167 -2.661 -2.057) 16.513 14.877 ( 1.420 10.234 1.449) 10.433 15.262 ( -8.560 20.454 -1.793) 22.246 16.040 ( 8.140 3.363 5.392) 10.327 17.140 ( -11.488 0.148 6.872) 13.387 17.546 ( -3.098 -6.824 -4.174) 8.578 18.114 ( -6.232 -2.494 4.390) 8.021 18.932 ( 13.291 -15.936 -5.506) 21.470 19.912 ( -2.793 3.316 -3.362) 5.487 20.128 ( 1.538 0.098 -1.690) 2.287 20.619 ( -1.849 -0.494 0.406) 1.956 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 3.733 8.589 5.172) 10.699 3.393 ( -2.797 2.575 2.812) 4.728 3.745 ( 9.899 6.350 1.766) 11.892 3.957 ( -3.492 2.078 3.218) 5.183 4.172 ( -6.460 -2.127 -2.145) 7.131 5.066 ( -1.385 -8.177 5.338) 9.863 5.225 ( -3.096 -10.650 -2.784) 11.435 5.568 ( 0.306 4.475 5.041) 6.748 6.268 ( -1.250 -6.429 -7.709) 10.116 7.270 ( 9.019 13.866 2.722) 16.763 8.676 ( -1.295 -3.756 -1.099) 4.122 9.217 ( 8.772 -1.924 0.659) 9.005 9.817 ( -2.282 -3.956 2.642) 5.276 10.585 ( -1.619 5.797 0.379) 6.031 10.717 ( -5.853 -7.254 -0.968) 9.371 11.018 ( -7.383 6.557 4.880) 11.014 11.231 ( -3.256 -6.726 -1.717) 7.667 12.017 ( 8.896 1.454 -0.778) 9.047 12.912 ( 0.818 0.404 0.744) 1.177 14.413 ( 9.335 -5.574 0.307) 10.877 14.838 ( -11.283 5.973 -7.647) 14.882 15.380 ( 1.963 11.415 4.350) 12.372 16.308 ( 8.627 8.176 12.912) 17.550 16.927 ( -12.976 -2.715 -4.169) 13.897 17.379 ( -3.144 -8.253 -6.639) 11.049 18.023 ( -9.078 1.377 9.801) 13.430 18.985 ( 13.207 -10.305 -8.748) 18.898 19.902 ( -0.623 3.047 -1.262) 3.356 20.152 ( 1.845 0.758 -1.326) 2.395 20.597 ( -1.238 -0.023 1.376) 1.851 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( -5.295 -5.506 6.720) 10.174 3.489 ( 3.552 11.702 1.589) 12.332 3.770 ( -2.355 -3.596 -6.668) 7.933 4.059 ( -6.254 6.471 10.076) 13.510 4.129 ( 11.066 0.850 -2.469) 11.370 4.838 ( -13.386 -5.227 2.177) 14.534 5.126 ( 1.030 -6.882 -1.997) 7.239 5.732 ( 10.271 0.970 2.162) 10.540 6.045 ( -7.873 -12.834 -5.311) 15.966 7.648 ( 12.041 23.209 -1.508) 26.190 8.587 ( -2.025 -6.403 -1.234) 6.828 9.278 ( 3.956 -12.098 0.688) 12.747 9.799 ( -3.490 8.297 1.406) 9.110 10.535 ( -3.358 -7.677 3.420) 9.050 10.618 ( -2.228 2.411 -2.066) 3.879 10.998 ( -4.756 2.629 5.239) 7.548 11.101 ( -2.247 -4.820 -2.356) 5.817 12.185 ( 6.521 6.556 -1.177) 9.322 12.966 ( 5.182 -3.277 2.624) 6.669 14.486 ( 2.948 -0.908 1.544) 3.450 14.607 ( -12.502 1.963 -9.664) 15.924 15.539 ( 2.563 1.558 9.669) 10.124 16.490 ( -1.029 -8.469 5.966) 10.411 16.714 ( -4.181 6.500 -6.153) 9.879 17.240 ( -1.692 -3.242 -3.598) 5.130 17.955 ( -8.645 2.596 10.825) 14.094 19.068 ( 12.140 -4.334 -10.837) 16.840 19.928 ( 0.750 2.181 0.470) 2.354 20.188 ( 2.127 1.575 -1.435) 3.011 20.589 ( -1.533 0.706 1.754) 2.434 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -10.565 -8.604 5.066) 14.537 3.631 ( -3.482 3.554 -7.847) 9.291 3.676 ( 3.219 1.023 5.294) 6.280 4.059 ( -3.934 7.831 3.339) 9.378 4.264 ( 4.032 -9.049 -1.198) 9.979 4.667 ( -6.356 6.471 2.036) 9.297 5.107 ( 2.072 -0.724 -1.108) 2.459 5.760 ( -7.559 -11.029 -1.556) 13.461 5.925 ( 13.937 -3.482 -0.683) 14.381 8.002 ( 2.001 21.424 -4.893) 22.066 8.508 ( 0.676 -3.520 2.332) 4.276 9.132 ( -2.133 -17.290 0.077) 17.421 9.832 ( -7.163 11.989 0.395) 13.971 10.484 ( 4.032 -7.086 3.174) 8.749 10.588 ( -0.484 -1.615 -0.845) 1.886 10.934 ( -4.257 -2.695 2.976) 5.852 11.085 ( 1.893 1.242 -1.146) 2.538 12.335 ( 3.234 9.205 -2.329) 10.031 13.019 ( 4.024 -5.703 1.658) 7.174 14.386 ( -11.013 6.350 -4.899) 13.624 14.542 ( 3.897 -2.421 1.688) 4.888 15.539 ( -5.971 -9.894 10.598) 15.680 16.388 ( 4.452 -0.677 -13.758) 14.476 16.643 ( -9.524 -7.632 7.561) 14.357 17.262 ( 3.425 2.849 3.081) 5.416 17.922 ( -4.751 2.842 7.145) 9.038 19.173 ( 10.078 1.272 -11.037) 15.000 19.970 ( 1.298 1.550 1.700) 2.641 20.233 ( 2.172 2.247 -2.334) 3.901 20.574 ( -2.495 0.745 1.716) 3.118 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( -12.574 -8.237 6.443) 16.355 3.513 ( -5.800 -0.427 -2.691) 6.408 3.790 ( 2.308 2.579 3.820) 5.155 4.084 ( -5.520 -15.308 -4.760) 16.955 4.132 ( -0.787 12.374 0.583) 12.413 4.696 ( -1.380 1.406 3.883) 4.354 5.159 ( 5.006 2.974 -3.816) 6.962 5.627 ( -2.606 0.391 3.330) 4.246 6.132 ( 17.115 -5.132 -2.753) 18.079 7.909 ( -26.070 7.740 0.088) 27.195 8.638 ( 6.950 6.258 0.901) 9.395 8.992 ( 6.618 -13.466 0.450) 15.011 9.772 ( -11.234 7.563 1.598) 13.636 10.528 ( 2.992 -6.173 3.851) 7.867 10.596 ( 8.965 -4.026 -5.119) 11.081 10.869 ( -3.729 -1.182 3.269) 5.098 11.131 ( 2.718 1.558 -1.878) 3.652 12.423 ( -1.632 9.553 -4.490) 10.681 13.015 ( 2.124 -4.150 -1.286) 4.836 14.309 ( -4.457 5.683 1.632) 7.405 14.612 ( 5.261 -1.640 3.776) 6.680 15.337 ( -8.484 -11.539 4.515) 15.017 16.367 ( -13.813 -14.002 7.308) 20.983 16.461 ( 6.349 4.874 -8.321) 11.546 17.371 ( 3.389 -0.913 8.492) 9.189 17.932 ( 1.013 0.816 -0.675) 1.465 19.300 ( 7.791 7.095 -9.231) 14.009 20.019 ( 1.364 1.319 2.177) 2.888 20.268 ( 1.368 2.441 -4.128) 4.987 20.538 ( -3.189 -0.471 1.801) 3.692 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -12.954 18.901 5.831) 23.644 3.187 ( -2.969 7.352 23.041) 24.367 3.387 ( -1.621 -2.701 3.069) 4.399 3.969 ( 2.069 -5.170 -9.916) 11.373 4.743 ( 7.762 5.842 -9.050) 13.277 5.176 ( 8.258 -6.720 3.965) 11.361 5.351 ( -21.615 10.727 8.459) 25.570 5.937 ( 11.805 -3.326 1.550) 12.362 6.210 ( -1.730 -6.849 -6.890) 9.868 6.686 ( -6.892 -1.247 10.294) 12.451 8.708 ( -3.150 -5.442 1.264) 6.413 9.086 ( -1.960 6.858 0.616) 7.159 10.064 ( 6.839 -6.105 -1.890) 9.360 10.280 ( -3.041 3.398 4.306) 6.272 10.601 ( 2.036 6.577 7.768) 10.380 11.095 ( 3.866 -9.362 -2.000) 10.325 11.404 ( 9.988 -2.755 -4.738) 11.393 12.368 ( -6.626 4.555 -7.044) 10.690 13.376 ( -2.937 -6.844 -10.354) 12.755 13.876 ( 7.768 23.276 4.606) 24.967 14.318 ( -21.009 -4.941 7.456) 22.834 15.414 ( -1.011 10.221 1.435) 10.371 15.753 ( -1.969 -12.108 15.504) 19.770 16.967 ( 7.752 5.805 4.135) 10.530 17.662 ( 17.701 -10.364 -6.186) 21.425 17.917 ( 0.517 4.796 13.164) 14.020 19.157 ( -10.453 -10.521 -14.666) 20.857 20.074 ( -0.563 2.039 -5.065) 5.489 20.180 ( -1.847 -0.068 -2.243) 2.906 20.667 ( 3.723 2.333 0.060) 4.394 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -1.071 27.415 6.569) 28.211 3.263 ( -6.862 3.709 9.969) 12.658 3.413 ( 1.201 1.798 10.318) 10.542 3.881 ( -0.573 -3.166 -6.440) 7.199 4.798 ( 0.330 2.699 -14.116) 14.376 5.167 ( -12.903 0.460 12.086) 17.685 5.240 ( 3.191 -3.387 -0.202) 4.658 5.909 ( 1.417 -11.761 -0.835) 11.876 6.323 ( 13.679 0.392 -3.094) 14.030 6.611 ( -7.479 -1.217 12.618) 14.718 8.661 ( 0.036 -1.597 2.259) 2.766 9.100 ( -4.642 6.572 1.178) 8.132 10.043 ( 0.305 -10.922 2.694) 11.253 10.364 ( 5.120 8.435 0.449) 9.877 10.733 ( 0.009 4.387 6.267) 7.650 11.068 ( 4.750 -4.448 -4.619) 7.980 11.466 ( 5.716 -5.789 -4.249) 9.179 12.167 ( -12.686 -3.640 -4.103) 13.821 13.378 ( 10.348 2.323 -7.133) 12.781 13.926 ( -25.758 1.245 3.360) 26.006 14.275 ( 9.789 21.465 5.071) 24.131 15.535 ( 2.882 10.472 -1.803) 11.010 15.691 ( -2.428 -9.785 13.505) 16.853 17.163 ( 6.280 5.707 1.305) 8.586 17.836 ( 17.394 -9.612 -2.906) 20.084 18.001 ( -6.599 3.911 14.000) 15.964 18.813 ( -5.670 -14.516 -10.820) 18.972 20.048 ( -0.752 1.323 -4.949) 5.178 20.133 ( -1.921 -0.206 -2.066) 2.829 20.710 ( 0.601 0.501 -2.052) 2.196 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 2.554 20.016 0.073) 20.178 3.260 ( -2.351 6.592 8.620) 11.103 3.509 ( -1.094 4.883 7.061) 8.654 3.865 ( 3.625 0.475 1.560) 3.975 4.627 ( -7.977 -3.222 -14.913) 17.216 5.043 ( -8.434 -2.524 10.478) 13.685 5.265 ( 5.141 -7.812 0.432) 9.362 5.874 ( 4.961 -5.728 -2.419) 7.955 6.368 ( -11.253 6.195 4.445) 13.593 6.698 ( 13.547 -5.346 5.801) 15.677 8.692 ( 0.896 2.214 3.171) 3.970 9.073 ( -4.490 2.700 0.321) 5.249 9.935 ( -1.475 -11.365 3.426) 11.962 10.561 ( 7.007 5.155 0.142) 8.700 10.758 ( -1.403 4.220 1.181) 4.601 11.125 ( 5.349 0.695 -2.626) 5.999 11.441 ( -0.567 -3.080 -2.456) 3.980 11.897 ( -8.945 -8.050 -2.073) 12.211 13.459 ( -13.431 -1.693 4.385) 14.230 13.690 ( 6.501 7.186 -8.767) 13.068 14.652 ( 9.349 15.102 5.595) 18.622 15.618 ( -8.513 11.685 4.289) 15.080 15.728 ( 9.650 -0.891 2.543) 10.019 17.284 ( 2.104 4.479 -1.793) 5.264 17.891 ( -11.334 -3.938 1.647) 12.111 18.019 ( 9.776 -2.710 4.564) 11.124 18.600 ( 3.268 -16.999 -2.200) 17.450 20.013 ( -2.005 1.985 -4.580) 5.379 20.098 ( -0.367 -0.373 -1.237) 1.343 20.684 ( -1.473 -0.870 -2.074) 2.689 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 0.824 7.686 -2.764) 8.210 3.409 ( 2.679 5.389 6.234) 8.665 3.564 ( -1.445 7.067 3.236) 7.906 4.014 ( 4.553 4.724 6.326) 9.114 4.370 ( -6.926 -3.323 -11.677) 13.977 4.977 ( -1.258 -5.830 9.160) 10.931 5.233 ( 2.548 -12.844 0.457) 13.103 5.872 ( -3.383 -0.241 0.584) 3.442 6.277 ( -8.300 9.727 -0.417) 12.794 6.917 ( 13.744 -2.543 3.850) 14.498 8.747 ( -1.014 3.291 3.010) 4.574 9.015 ( -0.580 -4.008 -0.787) 4.125 9.842 ( 0.054 -8.459 2.666) 8.870 10.626 ( -0.773 3.107 -0.689) 3.275 10.824 ( 1.283 0.949 -0.916) 1.839 11.187 ( 2.619 -0.001 -0.923) 2.777 11.383 ( -6.818 5.933 -0.573) 9.056 11.738 ( 2.549 -9.551 0.407) 9.894 13.195 ( -16.856 4.084 1.432) 17.403 13.904 ( 16.888 -3.721 -4.792) 17.945 14.908 ( 5.372 6.190 2.204) 8.487 15.602 ( -9.779 12.256 3.301) 16.023 15.966 ( 11.186 10.256 2.916) 15.454 17.292 ( -3.388 1.669 -2.628) 4.601 17.593 ( -13.958 -6.449 -8.229) 17.440 18.172 ( 4.227 0.266 9.202) 10.130 18.538 ( 9.156 -17.219 -0.168) 19.503 19.970 ( -2.679 2.654 -3.058) 4.855 20.099 ( 1.127 0.086 -0.459) 1.220 20.638 ( -1.380 -1.048 -0.866) 1.938 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 5.019 5.127 0.699) 7.208 3.477 ( -1.313 2.828 3.519) 4.701 3.657 ( 4.985 3.585 -2.752) 6.729 4.022 ( -4.665 -3.013 -1.729) 5.817 4.285 ( -3.031 5.254 2.159) 6.439 4.983 ( 3.619 -8.657 4.620) 10.459 5.136 ( 0.604 -12.349 2.176) 12.554 5.765 ( -10.767 3.654 4.384) 12.186 6.229 ( -4.854 2.325 -6.422) 8.379 7.195 ( 14.716 8.727 2.492) 17.290 8.713 ( -5.874 -0.267 0.280) 5.886 9.005 ( 7.618 -10.217 -0.538) 12.756 9.820 ( 1.631 -1.612 2.822) 3.636 10.649 ( -0.142 4.254 -2.334) 4.854 10.742 ( -6.178 -4.823 -0.199) 7.840 11.177 ( -1.034 -3.605 -3.437) 5.087 11.302 ( -10.869 7.269 2.836) 13.380 11.836 ( 12.845 -2.075 3.371) 13.441 13.020 ( -9.845 4.719 0.547) 10.932 14.095 ( 15.897 -9.460 -1.229) 18.540 14.967 ( -2.481 2.872 -5.678) 6.830 15.578 ( -7.611 9.955 4.122) 13.192 16.305 ( 10.827 10.704 9.596) 17.997 17.105 ( -15.750 -3.737 -7.981) 18.047 17.309 ( -3.296 -3.621 -12.875) 13.775 18.245 ( -6.343 1.937 15.629) 16.978 18.580 ( 15.829 -13.023 -5.378) 21.192 19.947 ( -1.761 2.903 -0.995) 3.538 20.126 ( 1.596 0.788 0.038) 1.780 20.616 ( -0.390 -0.209 0.446) 0.628 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -0.856 0.039 3.647) 3.746 3.520 ( 2.950 1.458 3.901) 5.103 3.685 ( 0.906 -1.741 -12.144) 12.301 3.982 ( 5.101 0.671 -0.572) 5.177 4.281 ( -6.087 5.122 5.635) 9.749 4.948 ( 0.332 -8.748 1.400) 8.865 5.053 ( -3.091 -4.029 3.653) 6.255 5.707 ( -2.834 3.561 4.280) 6.248 6.050 ( -9.006 -6.233 -6.056) 12.515 7.596 ( 16.683 16.174 -0.063) 23.237 8.591 ( -5.445 -2.795 -1.460) 6.292 9.014 ( 8.463 -16.888 -1.069) 18.920 9.903 ( 2.687 6.769 3.280) 7.987 10.535 ( -6.091 -8.764 -1.282) 10.749 10.700 ( -2.936 6.855 -1.421) 7.592 11.067 ( -2.331 -5.927 -3.497) 7.266 11.208 ( -10.412 5.544 3.893) 12.421 12.087 ( 12.358 2.744 4.575) 13.461 12.956 ( -3.291 2.888 1.191) 4.537 14.241 ( 13.323 -9.876 -0.601) 16.595 14.828 ( -10.910 3.760 -9.580) 14.998 15.608 ( -1.459 2.216 9.152) 9.529 16.495 ( -4.273 -8.042 4.978) 10.379 16.811 ( -5.046 7.846 -10.529) 14.067 17.188 ( -0.747 -0.845 -9.606) 9.672 18.197 ( -9.509 -0.851 13.004) 16.132 18.738 ( 15.785 -4.044 -4.882) 17.010 19.955 ( -0.517 2.673 0.928) 2.877 20.165 ( 1.759 1.475 -0.099) 2.298 20.621 ( -0.244 0.936 1.137) 1.493 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -9.629 -5.201 2.336) 11.190 3.563 ( 1.579 -6.928 -9.920) 12.202 3.642 ( 4.107 1.116 2.495) 4.933 4.120 ( 7.307 0.203 -0.173) 7.312 4.273 ( -5.578 7.871 4.120) 10.490 4.838 ( -6.986 -0.813 0.848) 7.084 5.051 ( 2.460 0.261 1.836) 3.081 5.746 ( -0.370 -4.299 2.374) 4.925 5.808 ( -4.877 -1.769 -3.006) 5.996 8.015 ( 14.828 14.281 -1.919) 20.676 8.497 ( -1.736 -0.965 0.553) 2.062 8.926 ( 3.153 -19.945 -2.428) 20.338 10.043 ( -0.782 12.217 2.406) 12.476 10.362 ( -1.287 -11.364 -0.321) 11.441 10.653 ( -6.680 2.811 -3.077) 7.874 10.992 ( -1.221 -1.772 1.080) 2.408 11.120 ( -5.987 2.672 1.703) 6.774 12.326 ( 7.831 5.853 3.155) 10.273 12.960 ( 0.256 0.331 1.498) 1.555 14.333 ( 8.352 -6.891 -3.594) 11.409 14.633 ( -9.348 3.404 -4.067) 10.748 15.603 ( -5.023 -9.832 10.450) 15.202 16.269 ( -2.068 -3.278 -13.202) 13.759 16.767 ( -7.959 -2.032 2.468) 8.577 17.214 ( 5.713 4.723 -3.689) 8.280 18.087 ( -8.454 -2.633 6.696) 11.101 18.953 ( 12.938 3.207 -2.737) 13.608 19.989 ( 0.328 2.345 2.339) 3.329 20.209 ( 1.786 1.932 -0.993) 2.812 20.627 ( -1.483 1.367 1.002) 2.252 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -10.451 -5.852 1.350) 12.053 3.472 ( 2.073 -6.398 -7.624) 10.166 3.725 ( 4.569 -3.934 3.903) 7.182 4.108 ( -6.555 -5.459 1.771) 8.713 4.324 ( -3.947 15.400 1.288) 15.950 4.748 ( -3.374 -3.814 -0.189) 5.095 5.107 ( 2.234 3.690 -1.823) 4.683 5.678 ( 2.031 1.967 0.974) 2.991 5.864 ( 6.033 -0.619 0.245) 6.070 8.237 ( -1.797 6.760 -0.985) 7.063 8.607 ( 10.655 5.796 5.287) 13.231 8.710 ( -1.939 -19.717 -4.714) 20.365 10.052 ( -11.652 7.181 1.608) 13.781 10.330 ( 9.461 -7.191 -2.783) 12.205 10.543 ( -4.381 -1.164 -1.325) 4.723 10.961 ( -4.330 -0.545 6.205) 7.586 11.103 ( 0.600 2.810 -2.860) 4.053 12.485 ( 2.417 7.417 -0.804) 7.842 12.973 ( 0.299 0.452 0.169) 0.567 14.360 ( 3.139 -1.863 -0.583) 3.697 14.557 ( -0.809 -1.333 0.028) 1.560 15.383 ( -9.093 -12.783 2.221) 15.843 16.255 ( 7.459 -6.535 -3.480) 10.510 16.589 ( -11.393 2.689 0.055) 11.706 17.332 ( 4.853 -0.527 3.162) 5.816 17.952 ( -5.705 -3.945 -1.135) 7.029 19.193 ( 10.121 8.798 -1.045) 13.452 20.036 ( 0.647 2.252 2.886) 3.718 20.245 ( 1.373 1.957 -2.538) 3.486 20.601 ( -3.337 0.369 0.423) 3.384 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -9.281 10.956 5.747) 15.466 3.375 ( 1.679 0.653 6.239) 6.494 3.443 ( -2.278 3.181 15.383) 15.872 3.825 ( 2.181 -2.479 -7.004) 7.743 4.586 ( 9.261 -0.874 -3.041) 9.787 4.996 ( 9.193 -3.373 0.355) 9.798 5.532 ( -0.235 -5.258 -4.661) 7.031 5.878 ( -2.042 1.966 1.317) 3.125 6.166 ( -5.671 -11.934 -3.634) 13.703 7.016 ( -15.989 17.985 6.388) 24.899 8.684 ( -2.380 -10.218 1.046) 10.544 9.083 ( 10.082 2.564 -2.894) 10.798 9.922 ( 3.921 1.715 -0.859) 4.365 10.392 ( -3.912 1.608 4.816) 6.410 10.649 ( 2.934 0.795 5.714) 6.472 10.955 ( 1.425 -8.240 2.862) 8.839 11.230 ( 5.130 0.063 -1.688) 5.401 12.452 ( -2.043 7.777 -11.816) 14.292 13.305 ( -5.371 -9.722 -8.521) 13.999 13.960 ( 9.198 16.476 3.042) 19.113 14.505 ( -5.159 -7.155 7.724) 11.725 15.632 ( -10.643 10.134 2.103) 14.846 15.817 ( -3.366 -11.566 23.311) 26.240 16.904 ( 6.730 3.331 2.726) 7.988 17.239 ( 15.426 -6.366 -10.611) 19.776 18.001 ( 5.076 5.337 13.492) 15.371 19.176 ( -12.938 -7.316 -16.895) 22.503 20.079 ( -1.302 1.567 -4.123) 4.599 20.198 ( -1.592 0.496 -2.197) 2.758 20.624 ( 3.836 1.793 1.099) 4.374 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -2.389 16.946 7.125) 18.537 3.380 ( -3.091 0.259 2.929) 4.267 3.545 ( -1.603 3.828 14.329) 14.918 3.809 ( 1.728 -0.088 -5.040) 5.328 4.664 ( 5.711 -3.071 -8.710) 10.858 5.096 ( 6.125 -4.751 1.462) 7.889 5.354 ( -7.433 -10.485 -1.906) 12.993 5.829 ( -4.065 -8.095 -1.372) 9.161 6.078 ( 10.415 -1.767 -2.294) 10.810 6.985 ( -16.062 18.097 9.703) 26.070 8.609 ( 2.215 -5.726 1.525) 6.326 9.223 ( 1.645 5.244 0.420) 5.512 9.939 ( 0.978 -3.998 -1.537) 4.393 10.398 ( -0.713 2.841 4.200) 5.121 10.786 ( 7.262 2.421 4.519) 8.890 10.902 ( 0.260 -7.358 0.622) 7.389 11.280 ( 5.595 -4.414 -3.599) 7.984 12.341 ( -10.867 2.296 -8.089) 13.740 13.202 ( 5.755 -0.783 -7.843) 9.759 14.297 ( 6.856 6.623 5.672) 11.092 14.319 ( -12.175 3.558 4.456) 13.444 15.566 ( -4.885 7.282 1.508) 8.898 15.817 ( -3.116 -5.875 18.054) 19.240 17.096 ( 8.594 5.674 0.193) 10.300 17.393 ( 17.907 -8.445 -8.468) 21.534 18.200 ( 1.703 3.991 17.533) 18.062 18.776 ( -13.358 -8.807 -15.662) 22.390 20.045 ( -1.004 0.899 -3.745) 3.980 20.157 ( -2.222 0.493 -2.207) 3.170 20.680 ( 1.767 0.183 -1.382) 2.250 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -1.092 13.105 3.527) 13.615 3.350 ( -1.229 0.768 3.098) 3.421 3.636 ( -1.408 6.270 6.773) 9.337 3.839 ( 2.647 3.060 3.073) 5.080 4.582 ( -2.495 -5.354 -13.719) 14.937 5.083 ( -3.850 -11.815 3.984) 13.050 5.157 ( 1.881 -9.258 -1.530) 9.570 5.750 ( 2.190 -1.153 -1.303) 2.797 6.284 ( 16.503 -4.682 -0.717) 17.169 6.924 ( -18.772 17.847 9.975) 27.756 8.654 ( 5.279 -1.642 1.887) 5.842 9.227 ( -6.991 3.282 2.244) 8.042 9.865 ( -1.325 -8.916 0.115) 9.015 10.494 ( 5.828 3.365 1.923) 6.999 10.836 ( -2.512 -0.067 0.339) 2.536 10.968 ( 9.529 0.086 -0.173) 9.531 11.300 ( 6.300 -6.528 -4.066) 9.942 12.081 ( -15.363 0.242 -3.933) 15.861 13.326 ( 12.038 -1.134 -4.111) 12.771 13.992 ( -22.557 2.175 1.804) 22.733 14.624 ( 11.171 7.911 3.521) 14.134 15.659 ( 4.348 10.482 2.106) 11.542 15.815 ( -3.306 -2.203 12.767) 13.371 17.261 ( 4.488 8.012 -6.171) 11.064 17.555 ( 18.008 -12.661 -6.180) 22.864 18.299 ( -14.099 8.172 9.159) 18.694 18.425 ( -0.493 -14.593 -1.848) 14.718 20.023 ( -0.494 1.475 -3.474) 3.806 20.113 ( -2.049 0.282 -1.085) 2.336 20.674 ( -0.291 -1.192 -2.237) 2.552 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -4.444 6.579 -1.290) 8.044 3.419 ( 3.898 -0.912 5.063) 6.454 3.665 ( -2.957 4.315 -0.739) 5.283 4.015 ( 5.876 5.593 7.048) 10.746 4.380 ( -5.292 -0.298 -12.309) 13.401 4.926 ( -0.150 -14.644 3.377) 15.029 5.101 ( 0.602 -10.235 1.848) 10.418 5.828 ( 4.847 2.677 -0.452) 5.556 6.475 ( 9.099 -3.034 -2.085) 9.816 6.865 ( -11.566 16.135 8.850) 21.736 8.742 ( 4.621 -0.979 1.127) 4.856 9.093 ( -10.653 -2.231 2.328) 11.130 9.764 ( 0.212 -8.088 0.538) 8.109 10.619 ( 4.064 1.191 0.898) 4.329 10.826 ( -0.150 2.240 -2.476) 3.342 11.096 ( 5.734 0.139 -0.631) 5.770 11.338 ( 8.695 -4.165 -5.071) 10.893 11.832 ( -13.750 1.431 1.873) 13.950 13.453 ( 2.303 -5.036 3.961) 6.808 13.700 ( -9.943 4.036 -4.978) 11.829 14.847 ( 7.866 3.205 -0.721) 8.524 15.810 ( -3.445 0.037 6.674) 7.511 15.925 ( 9.574 13.839 5.905) 17.834 17.313 ( -0.289 7.445 -12.253) 14.340 17.588 ( 2.286 -13.722 -9.705) 16.962 18.091 ( -1.040 -2.898 -5.531) 6.330 18.448 ( -2.136 -3.868 20.199) 20.677 20.009 ( -1.138 2.211 -3.045) 3.932 20.094 ( -0.300 0.364 0.878) 0.997 20.636 ( -0.814 -1.441 -1.705) 2.377 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 1.019 5.693 0.044) 5.784 3.479 ( 3.292 -4.305 1.606) 5.652 3.637 ( -2.016 1.565 -3.063) 3.986 4.042 ( -2.955 -2.370 -4.950) 6.233 4.382 ( 0.503 9.077 1.243) 9.176 4.839 ( 3.387 -12.680 0.567) 13.137 5.030 ( 1.315 -9.390 6.463) 11.475 5.894 ( -0.650 1.480 1.260) 2.049 6.430 ( -11.274 3.576 -2.677) 12.127 7.047 ( 11.097 10.547 5.024) 16.112 8.777 ( 3.595 -6.847 -0.788) 7.773 8.886 ( -10.761 -3.974 1.146) 11.529 9.754 ( 4.618 -3.310 1.528) 5.884 10.671 ( -0.083 2.793 -2.315) 3.629 10.790 ( -2.624 -1.511 -0.257) 3.039 11.125 ( 0.226 -2.188 -4.799) 5.279 11.458 ( 6.751 3.446 -6.065) 9.708 11.712 ( -3.265 0.309 10.333) 10.841 13.301 ( -15.476 3.682 3.177) 16.222 13.748 ( 13.373 -6.753 -1.920) 15.104 14.942 ( 3.112 2.306 -6.737) 7.771 15.767 ( -4.923 -2.261 5.863) 7.983 16.277 ( 11.136 11.688 7.918) 17.981 17.263 ( -13.944 -8.304 -18.061) 24.281 17.266 ( -3.201 5.709 -13.258) 14.785 18.168 ( 15.154 -8.780 -2.533) 17.696 18.482 ( -6.508 0.934 21.172) 22.170 19.995 ( -1.436 2.537 -1.127) 3.126 20.116 ( 1.041 0.869 1.634) 2.123 20.613 ( 0.227 -0.512 -0.580) 0.807 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( 4.325 4.098 2.469) 6.450 3.449 ( 1.379 -9.397 -2.870) 9.922 3.604 ( 0.484 0.930 -6.531) 6.615 3.957 ( -1.694 -0.277 -3.061) 3.509 4.426 ( -3.620 4.422 1.294) 5.860 4.797 ( 4.626 -8.807 -0.173) 9.950 5.071 ( 3.150 -2.619 9.236) 10.103 5.854 ( -5.784 0.831 2.023) 6.184 6.206 ( -15.502 2.083 -3.074) 15.941 7.410 ( 18.124 5.987 2.749) 19.284 8.691 ( -7.007 -3.283 -1.814) 7.948 8.739 ( 2.604 -9.687 -1.587) 10.155 9.860 ( 7.784 -0.347 2.881) 8.307 10.580 ( -7.101 -2.514 -3.149) 8.164 10.800 ( -0.779 7.055 -0.031) 7.098 11.030 ( -2.651 -4.589 -4.999) 7.285 11.439 ( -8.218 4.764 -2.639) 9.859 11.901 ( 14.156 -0.464 10.357) 17.547 13.134 ( -11.180 5.396 1.862) 12.553 13.909 ( 14.630 -8.072 0.064) 16.709 14.910 ( -3.449 2.259 -10.650) 11.420 15.691 ( -3.161 -6.878 8.089) 11.078 16.505 ( -0.641 -6.090 6.103) 8.646 16.895 ( -6.640 5.851 -19.151) 21.097 17.175 ( -4.033 5.418 -12.758) 14.436 18.269 ( 6.187 -10.189 -0.513) 11.931 18.567 ( 1.468 5.676 16.783) 17.777 20.000 ( -0.907 2.692 1.000) 3.012 20.157 ( 1.337 1.281 1.425) 2.337 20.627 ( 1.126 0.932 0.236) 1.481 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( -5.304 -8.093 -7.625) 12.320 3.392 ( 2.669 -6.495 -1.983) 7.296 3.615 ( 1.058 1.688 0.977) 2.219 3.971 ( 8.109 -3.188 -1.404) 8.825 4.431 ( -2.428 8.219 -0.469) 8.583 4.807 ( 2.872 -3.717 -1.622) 4.969 5.136 ( -2.309 2.374 9.219) 9.796 5.761 ( -4.726 -4.284 -0.844) 6.434 5.973 ( -12.963 5.992 0.508) 14.289 7.750 ( 20.442 -7.394 1.951) 21.826 8.567 ( -5.913 1.566 -0.051) 6.117 8.700 ( 4.414 -5.326 -4.828) 8.436 10.007 ( 9.292 -4.056 2.007) 10.335 10.416 ( -9.243 1.397 -1.072) 9.409 10.781 ( -7.296 2.988 -5.219) 9.455 10.983 ( 1.812 1.935 1.069) 2.858 11.301 ( -10.138 1.927 -0.547) 10.334 12.204 ( 14.079 0.652 8.238) 16.325 13.050 ( -6.462 5.265 1.242) 8.427 14.069 ( 12.672 -5.643 -1.759) 13.983 14.760 ( -7.958 0.226 -7.964) 11.261 15.621 ( -2.087 -12.030 8.843) 15.076 16.215 ( -9.089 -11.810 -12.178) 19.245 16.902 ( -4.079 5.995 -1.603) 7.426 17.142 ( 3.363 7.450 -10.548) 13.345 18.189 ( -4.924 -7.014 2.173) 8.841 18.818 ( 9.943 7.018 10.087) 15.807 20.028 ( -0.254 2.637 2.479) 3.628 20.199 ( 1.288 1.484 0.519) 2.032 20.657 ( 0.256 1.763 0.125) 1.786 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -5.717 -9.931 -10.968) 15.862 3.339 ( 0.474 -6.556 0.039) 6.573 3.641 ( 2.088 -5.285 4.392) 7.182 4.103 ( 6.762 -2.540 1.691) 7.418 4.487 ( -0.679 11.308 -3.535) 11.867 4.760 ( -3.653 -1.334 -3.898) 5.506 5.166 ( -3.652 4.828 5.692) 8.309 5.617 ( -1.212 -4.926 -3.977) 6.446 5.947 ( -3.941 10.370 5.169) 12.239 7.956 ( 21.252 -22.826 0.290) 31.189 8.506 ( -2.515 -4.752 4.613) 7.084 8.751 ( 0.663 14.450 -5.999) 15.660 10.062 ( 6.347 -13.555 -3.080) 15.281 10.326 ( -7.471 9.614 2.629) 12.456 10.632 ( -7.280 0.553 -4.131) 8.388 11.053 ( -1.232 2.731 4.780) 5.641 11.163 ( -6.388 2.496 -1.895) 7.116 12.452 ( 8.872 2.073 3.919) 9.918 13.026 ( -3.280 5.575 0.277) 6.475 14.200 ( 9.764 -2.334 -3.116) 10.511 14.595 ( -5.907 -3.868 -1.404) 7.199 15.426 ( -9.485 -12.496 0.109) 15.688 16.021 ( 6.104 -12.872 -4.355) 14.896 16.821 ( -9.883 8.173 -1.802) 12.951 17.239 ( 5.867 1.265 -4.330) 7.400 18.024 ( -8.184 -5.270 0.586) 9.752 19.126 ( 10.580 9.769 7.105) 16.058 20.070 ( 0.266 2.551 2.870) 3.849 20.232 ( 0.979 1.388 -0.728) 1.848 20.654 ( -2.269 1.033 -0.864) 2.639 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 5.443 -4.581 9.636) 11.978 3.354 ( 0.205 5.818 0.829) 5.881 3.569 ( 0.536 1.634 6.770) 6.986 3.813 ( -1.376 2.463 0.670) 2.900 4.404 ( 8.147 -2.288 1.343) 8.568 4.842 ( 3.476 -3.353 -1.642) 5.101 5.453 ( 1.478 2.528 -10.455) 10.858 5.862 ( 2.499 -7.703 1.368) 8.213 6.173 ( -10.962 -9.731 -0.242) 14.660 7.471 ( -7.653 19.009 -0.994) 20.516 8.580 ( 4.708 -9.716 2.707) 11.131 8.839 ( 7.531 -4.953 -5.720) 10.676 9.911 ( 6.824 7.435 0.360) 10.099 10.478 ( -4.322 -2.012 1.622) 5.036 10.648 ( -2.246 -2.414 6.990) 7.729 10.930 ( -2.266 -1.291 2.841) 3.857 11.220 ( -0.036 1.565 4.524) 4.787 12.432 ( 3.033 6.840 -15.053) 16.810 13.274 ( -7.476 -10.430 -4.903) 13.737 13.916 ( 10.797 9.441 -0.554) 14.353 14.565 ( -2.863 -1.016 7.439) 8.036 15.737 ( 7.817 -4.181 12.996) 15.731 15.964 ( -6.824 -7.667 13.858) 17.245 16.893 ( -2.562 1.840 3.030) 4.374 16.941 ( 9.219 0.791 -8.700) 12.701 18.033 ( 5.038 5.943 9.984) 12.664 19.227 ( -11.952 -4.487 -17.762) 21.874 20.097 ( -1.702 1.341 -3.350) 3.990 20.214 ( -1.189 0.627 -1.836) 2.276 20.597 ( 2.595 2.009 2.369) 4.047 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 1.571 0.685 9.825) 9.974 3.426 ( 0.584 2.031 1.780) 2.763 3.633 ( 1.662 3.437 3.214) 4.990 3.835 ( -2.261 6.916 2.143) 7.585 4.484 ( 5.603 -4.324 -4.437) 8.353 4.920 ( 9.465 -4.649 1.541) 10.657 5.333 ( -6.363 -7.835 -8.375) 13.115 5.848 ( -2.204 -2.014 -1.710) 3.440 5.913 ( -0.847 -11.473 0.644) 11.522 7.510 ( -14.213 24.682 3.292) 28.672 8.527 ( 0.783 -7.173 2.204) 7.545 9.040 ( 18.830 -3.272 -2.532) 19.279 9.997 ( -5.270 6.793 -2.054) 8.839 10.444 ( 1.542 -4.059 4.583) 6.313 10.634 ( 2.692 -3.746 1.106) 4.744 10.916 ( -0.667 -1.871 5.568) 5.912 11.212 ( -1.978 -1.605 0.354) 2.572 12.436 ( -2.594 5.263 -11.371) 12.796 13.091 ( -0.495 -3.987 -5.507) 6.817 14.184 ( 12.470 4.433 1.926) 13.374 14.530 ( -6.535 0.580 5.777) 8.742 15.824 ( -3.743 6.500 -1.196) 7.596 15.848 ( -5.217 -12.581 23.211) 26.912 16.970 ( 10.031 -5.141 3.712) 11.867 17.070 ( 8.485 7.048 -10.690) 15.360 18.223 ( 6.075 -1.305 11.556) 13.120 18.888 ( -14.006 0.161 -14.040) 19.832 20.056 ( -1.696 0.826 -2.941) 3.494 20.186 ( -1.846 0.861 -1.957) 2.825 20.649 ( 1.410 0.408 -0.128) 1.473 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 4.181 -0.612 7.755) 8.831 3.410 ( -4.041 0.400 0.912) 4.162 3.719 ( 0.636 5.859 -1.397) 6.057 3.905 ( -0.686 8.137 6.822) 10.640 4.462 ( 2.317 -4.921 -8.828) 10.369 4.979 ( 0.469 -14.654 -3.426) 15.057 5.085 ( -3.172 -3.444 -1.026) 4.793 5.748 ( -1.522 -0.469 1.159) 1.969 5.972 ( 12.192 -7.191 -0.356) 14.160 7.496 ( -18.473 23.194 5.201) 30.104 8.543 ( 5.396 -3.011 1.718) 6.413 9.252 ( 8.738 -4.353 1.852) 9.937 9.884 ( -8.926 1.211 -3.443) 9.643 10.466 ( 1.780 -1.919 4.881) 5.539 10.701 ( 9.194 -3.532 -4.444) 10.805 10.947 ( 1.092 0.839 6.126) 6.278 11.155 ( 0.267 -4.338 -3.157) 5.372 12.291 ( -11.121 2.346 -6.057) 12.879 13.115 ( 8.162 -1.437 -4.130) 9.259 14.315 ( -9.551 -1.788 4.125) 10.557 14.512 ( 6.950 5.387 0.478) 8.806 15.814 ( -5.052 15.876 -0.578) 16.670 15.835 ( 1.783 -14.818 18.182) 23.523 17.111 ( 15.478 -11.755 -4.898) 20.043 17.225 ( 5.699 11.035 -6.992) 14.252 18.283 ( 1.464 -12.953 1.284) 13.098 18.654 ( -12.629 10.321 2.660) 16.525 20.027 ( -0.855 1.284 -2.792) 3.190 20.150 ( -2.242 0.850 -0.723) 2.504 20.652 ( 0.029 -1.056 -1.608) 1.924 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 2.890 -7.497 0.382) 8.044 3.355 ( -4.182 5.524 3.660) 7.836 3.729 ( -2.096 2.507 -2.673) 4.221 4.019 ( 1.608 2.063 4.119) 4.879 4.397 ( -0.705 3.741 -7.784) 8.665 4.759 ( -0.227 -15.352 -3.962) 15.857 5.060 ( -1.521 -4.003 3.533) 5.551 5.797 ( 3.363 2.173 2.651) 4.802 6.154 ( 16.924 -5.245 -0.522) 17.725 7.403 ( -20.778 19.263 5.382) 28.840 8.632 ( 6.005 -2.466 0.139) 6.493 9.240 ( -5.285 -6.512 4.852) 9.690 9.727 ( -5.238 -2.808 -3.555) 6.925 10.550 ( 5.699 0.529 2.720) 6.337 10.780 ( 5.541 -0.470 -5.149) 7.578 11.037 ( 3.181 2.933 2.392) 4.944 11.118 ( 5.549 -6.621 -4.471) 9.727 12.092 ( -12.823 3.374 -0.092) 13.259 13.236 ( 10.922 -4.752 -0.709) 11.932 14.049 ( -20.284 1.947 1.098) 20.406 14.710 ( 9.870 2.730 -2.718) 10.595 15.806 ( 1.641 -8.638 3.693) 9.537 15.994 ( 4.071 12.559 10.892) 17.115 17.172 ( 11.505 -9.970 -15.872) 21.993 17.365 ( 4.043 5.578 -4.029) 7.981 18.076 ( -6.279 -8.448 -8.873) 13.766 18.676 ( -6.416 7.245 19.454) 21.728 20.017 ( -0.112 1.712 -2.856) 3.332 20.127 ( -1.719 1.115 1.578) 2.586 20.620 ( -0.545 -1.591 -1.968) 2.589 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( -0.078 -4.379 0.695) 4.435 3.364 ( 0.308 -0.505 -3.082) 3.138 3.679 ( -3.456 -0.618 -1.153) 3.696 4.012 ( -0.121 -2.339 -4.324) 4.917 4.467 ( 1.469 10.124 0.288) 10.234 4.639 ( 3.902 -12.638 -3.005) 13.563 5.013 ( -1.930 -3.252 6.415) 7.447 5.883 ( 3.729 -1.389 2.069) 4.485 6.390 ( 12.065 0.495 -1.241) 12.139 7.263 ( -15.709 10.967 5.412) 19.909 8.648 ( 1.528 -6.441 -2.199) 6.975 9.072 ( -10.777 -3.522 4.087) 12.052 9.653 ( 2.357 -2.903 -1.736) 4.123 10.664 ( 3.553 3.274 -0.132) 4.833 10.794 ( 0.287 -1.199 -1.784) 2.168 11.069 ( 1.528 -0.690 -6.307) 6.526 11.228 ( 12.628 -1.499 -1.509) 12.806 11.942 ( -11.164 3.762 6.090) 13.262 13.368 ( 10.102 -7.249 3.437) 12.900 13.752 ( -17.458 4.761 -0.861) 18.116 14.841 ( 6.334 2.901 -7.800) 10.458 15.753 ( 0.961 -11.874 3.312) 12.365 16.278 ( 7.549 10.552 9.455) 16.054 17.097 ( 3.897 -11.085 -20.848) 23.932 17.366 ( -4.952 5.800 -11.014) 13.397 17.936 ( 2.924 -3.029 -3.461) 5.450 18.755 ( -6.847 4.698 22.897) 24.356 20.022 ( 0.087 2.131 -1.778) 2.776 20.135 ( -0.527 1.284 3.094) 3.391 20.593 ( 0.409 -0.924 -1.594) 1.887 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 4.217 -13.043 -4.863) 14.546 3.356 ( 1.002 3.463 -3.141) 4.781 3.605 ( -2.715 -0.957 -0.355) 2.900 3.949 ( -1.745 -3.197 -5.201) 6.349 4.500 ( -2.205 1.931 -5.715) 6.423 4.669 ( 5.943 -0.849 5.965) 8.463 5.051 ( 2.853 0.479 8.238) 8.731 5.898 ( -0.075 -3.790 -0.058) 3.791 6.454 ( -7.581 5.263 -1.911) 9.424 7.218 ( 4.285 -6.786 5.534) 9.749 8.588 ( 0.575 -2.071 -2.932) 3.635 8.879 ( -11.196 -1.133 1.055) 11.302 9.713 ( 7.482 -3.262 0.205) 8.165 10.656 ( -4.340 0.706 -3.168) 5.419 10.850 ( 3.146 6.243 2.277) 7.352 11.009 ( -2.469 -1.806 -6.757) 7.417 11.406 ( 10.184 -0.928 -6.778) 12.269 11.887 ( -3.767 1.508 13.193) 13.803 13.387 ( -7.964 -0.638 4.433) 9.137 13.656 ( 5.555 0.512 -0.812) 5.638 14.882 ( 1.595 3.136 -11.084) 11.629 15.647 ( -0.141 -15.467 4.367) 16.072 16.483 ( 1.412 -3.676 6.334) 7.458 16.859 ( -1.543 -2.853 -23.975) 24.194 17.267 ( -5.985 9.427 -12.069) 16.442 18.030 ( 9.886 -1.611 -0.988) 10.065 18.813 ( -7.312 4.291 22.772) 24.299 20.041 ( -0.034 2.561 0.431) 2.597 20.165 ( 0.389 1.170 2.902) 3.153 20.605 ( 2.092 0.583 -1.091) 2.430 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 2.781 -16.777 -13.827) 21.918 3.378 ( -0.659 -2.293 1.217) 2.678 3.641 ( 4.707 7.231 0.608) 8.650 3.802 ( -2.470 -13.052 -3.146) 13.652 4.500 ( 1.516 7.716 -5.089) 9.366 4.774 ( 0.341 3.629 2.732) 4.556 5.192 ( 4.823 2.143 10.147) 11.437 5.798 ( -5.580 -5.190 -2.979) 8.182 6.295 ( -14.947 7.703 0.437) 16.821 7.276 ( 16.329 -25.753 3.693) 30.716 8.635 ( 2.342 7.272 -2.340) 7.990 8.709 ( -8.091 2.604 -0.407) 8.510 9.796 ( 7.941 -7.935 -0.159) 11.228 10.573 ( -5.858 3.927 -1.032) 7.127 10.870 ( -6.157 -0.133 -6.863) 9.221 11.005 ( 2.999 8.011 3.749) 9.340 11.409 ( -2.344 -1.008 -7.772) 8.180 12.035 ( 10.134 -1.624 13.885) 17.267 13.258 ( -9.979 4.412 1.654) 11.035 13.816 ( 11.832 -1.242 0.402) 11.904 14.813 ( -4.464 0.647 -9.629) 10.633 15.532 ( 1.579 -15.566 4.980) 16.420 16.195 ( -13.188 -16.500 -12.333) 24.460 16.888 ( 8.021 4.516 -8.319) 12.407 17.200 ( -5.817 10.503 -9.361) 15.224 18.146 ( 4.193 -0.862 -0.706) 4.338 18.905 ( -1.457 5.602 20.054) 20.872 20.073 ( -0.194 2.627 2.167) 3.411 20.200 ( 0.750 0.972 1.761) 2.147 20.651 ( 2.279 1.868 -1.197) 3.181 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 0.925 -18.278 -17.807) 25.534 3.333 ( -2.014 -3.316 3.567) 5.271 3.606 ( -2.276 -13.772 2.176) 14.128 3.885 ( 13.950 4.234 -0.476) 14.587 4.589 ( -1.495 9.227 -3.069) 9.838 4.781 ( -1.233 5.169 -6.076) 8.072 5.330 ( -1.025 4.158 10.720) 11.544 5.602 ( -6.949 -5.805 -5.152) 10.418 6.190 ( -8.403 10.435 3.891) 13.951 7.300 ( 20.754 -35.749 1.220) 41.355 8.580 ( -5.099 0.374 2.528) 5.703 8.835 ( 3.873 16.490 -2.753) 17.161 9.812 ( 6.187 -11.446 -2.269) 13.207 10.520 ( -5.724 4.473 -0.381) 7.274 10.730 ( -6.483 1.667 -3.218) 7.427 11.136 ( -0.434 5.773 4.912) 7.592 11.282 ( -6.075 2.141 -6.170) 8.919 12.289 ( 13.030 -2.734 8.617) 15.859 13.175 ( -6.413 6.286 -0.177) 8.982 14.003 ( 10.582 0.597 -0.669) 10.620 14.653 ( -7.216 -3.875 -3.164) 8.780 15.431 ( -3.296 -11.301 0.163) 11.773 15.786 ( -2.667 -17.852 -9.753) 20.517 16.962 ( 1.279 1.064 -5.040) 5.307 17.182 ( -1.717 9.279 -6.744) 11.599 18.123 ( -5.819 -0.766 1.692) 6.108 19.127 ( 6.803 8.359 14.284) 17.893 20.108 ( -0.127 2.328 2.317) 3.287 20.229 ( 0.749 0.801 0.797) 1.356 20.680 ( -0.190 1.655 -2.380) 2.905 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 17.713 -9.709 13.073) 24.060 3.400 ( 2.660 1.055 -1.105) 3.067 3.629 ( 2.007 6.394 3.383) 7.507 3.771 ( 3.608 -4.902 0.103) 6.088 4.398 ( -3.855 6.422 5.290) 9.170 4.811 ( -4.518 -3.856 -1.182) 6.057 5.395 ( 2.450 5.946 -12.050) 13.658 5.736 ( 2.748 -8.999 3.567) 10.063 6.307 ( -12.926 -6.553 -0.539) 14.502 7.346 ( 30.373 -0.904 -4.012) 30.651 8.611 ( -10.562 7.735 0.741) 13.112 8.730 ( -2.903 -7.711 -3.191) 8.836 9.785 ( 12.355 2.112 0.892) 12.566 10.551 ( -4.719 -1.766 1.572) 5.278 10.744 ( -6.135 -2.420 6.494) 9.255 11.055 ( -8.433 5.969 -0.544) 10.346 11.250 ( 2.802 -0.293 8.317) 8.782 12.311 ( 6.149 4.258 -15.885) 17.558 13.291 ( -7.530 -8.767 -1.742) 11.687 13.836 ( 6.777 9.236 -1.982) 11.626 14.666 ( -3.843 0.041 6.507) 7.557 15.547 ( 13.620 -6.411 5.508) 16.030 15.915 ( 7.621 -15.555 14.213) 22.406 16.828 ( 5.957 5.512 -0.202) 8.119 17.078 ( -12.473 1.996 4.283) 13.338 18.092 ( -0.073 5.992 5.068) 7.848 19.260 ( -8.816 -2.106 -18.944) 21.000 20.119 ( -1.644 1.230 -2.714) 3.403 20.227 ( -0.826 0.421 -1.349) 1.637 20.608 ( 0.910 2.725 3.589) 4.597 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 10.643 -8.745 13.874) 19.551 3.419 ( 1.783 -1.147 -2.664) 3.405 3.664 ( -0.689 5.861 -2.112) 6.268 3.917 ( 6.203 5.687 4.172) 9.393 4.413 ( -2.812 1.654 1.061) 3.430 4.768 ( 4.087 -3.349 2.408) 5.806 5.324 ( -5.290 -2.412 -11.049) 12.485 5.722 ( 4.774 -9.249 2.837) 10.788 6.006 ( -13.606 -4.358 -2.335) 14.477 7.784 ( 13.717 13.617 -2.015) 19.433 8.530 ( -6.783 0.961 4.087) 7.977 8.687 ( 10.073 -4.409 -3.451) 11.524 10.025 ( 11.178 3.688 -0.083) 11.771 10.410 ( -7.554 -4.450 -0.462) 8.779 10.671 ( -4.237 -4.358 6.524) 8.917 10.988 ( -5.296 3.798 1.571) 6.704 11.255 ( -3.194 -4.040 3.438) 6.192 12.396 ( 5.312 7.250 -12.089) 15.064 13.084 ( -6.488 -4.700 -2.355) 8.350 14.046 ( 9.810 6.146 0.453) 11.585 14.639 ( -3.065 -1.540 5.351) 6.356 15.673 ( 8.354 -14.105 7.271) 17.933 15.988 ( 4.019 -3.099 7.533) 9.083 16.878 ( -4.911 -3.781 2.162) 6.564 17.039 ( 3.135 9.786 0.889) 10.314 18.164 ( 2.870 -3.686 4.317) 6.361 19.031 ( -8.659 5.818 -13.013) 16.678 20.079 ( -2.010 0.929 -2.689) 3.483 20.211 ( -1.220 1.014 -1.226) 2.005 20.647 ( -0.058 0.766 1.341) 1.546 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 4.490 -9.237 8.062) 13.057 3.434 ( 2.511 -1.041 1.357) 3.038 3.722 ( 3.005 4.134 -4.292) 6.674 4.070 ( -1.487 10.602 5.212) 11.907 4.346 ( -1.546 -4.262 -3.955) 6.016 4.843 ( 3.461 -6.308 0.813) 7.240 5.113 ( -5.846 -2.406 -5.360) 8.288 5.728 ( 3.817 -9.242 2.715) 10.361 5.822 ( -3.119 2.064 -2.613) 4.562 7.985 ( -8.634 20.348 1.011) 22.127 8.485 ( -0.858 0.444 2.290) 2.485 8.907 ( 21.503 -8.584 -0.560) 23.160 10.093 ( -11.460 5.377 -3.236) 13.066 10.341 ( 10.011 -7.941 2.301) 12.983 10.599 ( -1.971 -3.385 2.382) 4.584 10.975 ( -1.339 1.972 3.104) 3.914 11.149 ( -3.997 -4.535 -1.426) 6.211 12.414 ( -3.971 4.703 -6.363) 8.853 12.997 ( 1.377 -1.431 -2.283) 3.026 14.273 ( 9.578 3.528 2.293) 10.461 14.584 ( -4.843 -0.798 1.727) 5.203 15.674 ( 6.131 -17.215 6.624) 19.437 16.059 ( -3.146 9.235 4.566) 10.771 16.802 ( 4.334 -10.510 -0.729) 11.392 17.211 ( 4.819 10.593 -2.589) 11.922 18.144 ( 1.552 -11.480 0.762) 11.610 18.937 ( -7.703 12.251 -1.811) 14.585 20.043 ( -1.551 1.335 -2.919) 3.565 20.193 ( -1.766 1.282 0.236) 2.195 20.641 ( -0.754 -0.958 -0.412) 1.287 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 3.985 -11.637 -1.155) 12.355 3.486 ( -0.744 1.175 6.519) 6.666 3.760 ( -0.279 3.873 -4.370) 5.845 4.085 ( -6.576 1.897 1.066) 6.927 4.294 ( 6.033 -6.859 -3.745) 9.873 4.719 ( -6.651 -1.508 -3.806) 7.810 5.078 ( -0.241 -0.391 1.970) 2.023 5.734 ( 3.865 -6.292 1.517) 7.538 5.914 ( 10.201 5.657 0.676) 11.684 7.928 ( -18.671 13.452 3.032) 23.211 8.531 ( 3.604 1.097 -0.031) 3.767 9.116 ( 12.291 -10.387 1.764) 16.189 9.866 ( -13.454 -0.173 -3.409) 13.881 10.472 ( 7.224 -0.896 3.993) 8.303 10.613 ( 6.849 -1.358 -3.619) 7.865 10.992 ( 0.687 -3.196 -1.078) 3.442 11.062 ( -0.961 0.686 0.004) 1.180 12.314 ( -9.474 4.051 -0.155) 10.305 13.044 ( 6.729 -2.507 -0.865) 7.233 14.328 ( -9.420 -0.605 1.154) 9.509 14.579 ( 5.944 3.552 -2.227) 7.274 15.642 ( 5.633 -15.497 2.103) 16.623 16.156 ( -1.312 12.687 7.539) 14.816 16.784 ( 9.700 -14.723 -6.969) 18.959 17.352 ( 3.518 8.850 -6.302) 11.420 18.023 ( -2.221 -8.866 -3.229) 9.694 18.969 ( -5.926 11.264 10.285) 16.364 20.020 ( -0.633 1.541 -3.085) 3.506 20.185 ( -1.876 1.783 2.403) 3.532 20.604 ( -0.957 -1.882 -1.562) 2.626 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 4.652 -14.371 -5.902) 16.217 3.463 ( -5.595 -0.538 2.570) 6.180 3.733 ( -3.758 2.512 -2.995) 5.422 3.991 ( -3.300 -0.711 -2.148) 4.001 4.356 ( 10.859 -9.440 2.788) 14.656 4.615 ( -5.122 6.077 -5.333) 9.572 5.084 ( -2.044 2.442 4.281) 5.335 5.747 ( 6.050 -8.639 0.080) 10.547 6.220 ( 13.454 10.255 2.330) 17.077 7.660 ( -21.389 -2.757 2.713) 21.736 8.585 ( 1.346 1.931 -1.940) 3.050 9.151 ( 0.215 -6.241 3.914) 7.370 9.649 ( -7.161 -1.795 -3.689) 8.253 10.628 ( 5.906 4.927 1.879) 7.918 10.707 ( 7.263 -0.868 -3.792) 8.239 10.945 ( 3.322 -4.969 -4.379) 7.410 11.113 ( 2.556 2.407 0.927) 3.631 12.195 ( -10.693 3.511 4.991) 12.311 13.150 ( 9.456 -4.261 1.844) 10.534 14.095 ( -17.078 2.210 -0.016) 17.220 14.709 ( 7.253 3.685 -7.028) 10.751 15.581 ( 4.126 -15.028 -1.086) 15.622 16.341 ( 3.209 9.065 9.757) 13.700 16.730 ( 8.935 -16.736 -13.797) 23.458 17.405 ( -0.270 6.220 -10.330) 12.062 17.911 ( -2.068 0.070 -3.342) 3.931 19.055 ( -5.903 8.034 18.366) 20.897 20.019 ( 0.641 1.800 -2.354) 3.032 20.193 ( -1.720 1.946 3.998) 4.768 20.564 ( 0.009 -1.708 -2.263) 2.835 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 4.515 -17.705 -10.158) 20.906 3.375 ( -2.654 -1.863 -0.576) 3.293 3.656 ( -4.231 -1.654 -1.455) 4.770 3.922 ( -2.801 -1.009 -2.991) 4.220 4.443 ( 4.691 -3.348 -2.621) 6.332 4.660 ( 4.340 7.606 4.895) 10.032 5.112 ( -2.125 5.300 4.490) 7.264 5.768 ( 6.732 -8.992 -1.540) 11.338 6.513 ( 6.724 9.921 1.040) 12.030 7.227 ( -16.240 -21.309 2.002) 26.867 8.614 ( -0.963 7.408 -1.154) 7.559 9.042 ( -9.078 -3.847 2.330) 10.131 9.588 ( 3.041 -1.402 -2.565) 4.218 10.683 ( -0.396 0.640 -3.781) 3.855 10.854 ( 6.232 7.431 3.166) 10.202 10.962 ( 3.702 -1.502 -4.939) 6.353 11.185 ( 6.341 -1.867 -2.676) 7.131 12.092 ( -9.128 1.467 9.562) 13.301 13.290 ( 9.852 -5.513 4.547) 12.171 13.852 ( -15.425 6.771 -1.442) 16.907 14.796 ( 4.766 3.894 -10.228) 11.936 15.476 ( 2.477 -16.684 -0.633) 16.879 16.460 ( -0.449 -9.165 1.596) 9.314 16.621 ( 7.082 -5.407 -14.265) 16.819 17.365 ( -3.242 7.740 -11.132) 13.941 17.940 ( 3.234 6.095 -1.543) 7.070 19.130 ( -7.855 5.566 22.085) 24.092 20.049 ( 1.623 2.253 -0.707) 2.865 20.209 ( -1.455 1.465 4.287) 4.759 20.556 ( 2.298 -0.446 -2.654) 3.539 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 3.727 -20.462 -15.058) 25.677 3.340 ( 1.873 -3.864 -1.636) 4.595 3.539 ( -0.843 -12.056 -2.384) 12.318 3.854 ( -5.353 5.044 0.914) 7.412 4.487 ( 3.666 6.642 -6.201) 9.798 4.857 ( 2.202 6.738 7.859) 10.583 5.185 ( 3.028 3.796 5.534) 7.362 5.758 ( 2.393 -6.802 -3.619) 8.068 6.563 ( -10.521 2.824 -2.546) 11.187 6.851 ( 3.107 -29.085 4.523) 29.598 8.697 ( 0.374 8.919 0.558) 8.944 8.867 ( -8.471 0.773 0.408) 8.516 9.625 ( 4.414 -3.376 -1.784) 5.836 10.652 ( -1.830 1.288 -2.816) 3.597 10.929 ( -3.804 2.423 -4.563) 6.416 11.062 ( 4.307 10.129 5.164) 12.158 11.244 ( 8.770 -6.284 -8.295) 13.609 12.060 ( -2.818 -0.595 13.547) 13.850 13.373 ( 1.250 -5.343 4.319) 6.983 13.750 ( -2.883 9.026 -2.020) 9.688 14.809 ( -0.166 1.970 -8.908) 9.125 15.356 ( 2.691 -15.319 0.743) 15.571 16.151 ( -9.819 -18.386 -15.315) 25.865 16.709 ( 8.751 0.310 -5.579) 10.383 17.335 ( -3.810 9.441 -7.652) 12.736 18.082 ( 5.632 7.488 -1.281) 9.457 19.173 ( -8.114 4.341 22.799) 24.587 20.100 ( 1.332 2.477 1.106) 3.022 20.221 ( -0.914 0.635 2.991) 3.191 20.600 ( 4.093 1.217 -2.989) 5.212 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 2.428 -22.913 -18.675) 29.659 3.309 ( 6.232 -15.982 -5.421) 17.990 3.388 ( -1.753 -9.747 3.230) 10.416 3.896 ( -0.459 11.500 3.202) 11.946 4.623 ( 5.537 10.618 -4.669) 12.853 4.884 ( -7.265 5.185 -2.156) 9.182 5.344 ( 6.795 -0.505 7.210) 9.920 5.659 ( -5.464 -3.475 -3.403) 7.315 6.356 ( -1.643 -11.222 0.438) 11.350 6.746 ( 5.011 -19.044 3.084) 19.932 8.682 ( -4.685 -1.025 2.390) 5.358 8.904 ( 2.592 10.743 -0.554) 11.065 9.645 ( 3.201 -2.716 -1.231) 4.375 10.590 ( -3.565 -1.128 -4.658) 5.973 10.858 ( -5.975 4.145 0.326) 7.280 11.191 ( 1.780 -2.074 -1.747) 3.244 11.300 ( 3.691 8.947 -3.829) 10.408 12.152 ( 5.664 -2.978 12.700) 14.221 13.307 ( -4.748 -0.594 -0.600) 4.823 13.875 ( 7.596 5.570 1.063) 9.479 14.716 ( -5.871 -3.204 -2.176) 7.033 15.304 ( 4.777 -9.106 -0.326) 10.288 15.681 ( -12.498 -16.934 -15.981) 26.426 16.808 ( 7.938 -2.482 -6.760) 10.717 17.320 ( -4.364 9.364 -4.327) 11.201 18.205 ( 0.167 6.477 -0.189) 6.481 19.256 ( -2.053 5.521 20.194) 21.036 20.144 ( -0.010 2.014 1.793) 2.697 20.231 ( 0.261 0.214 1.394) 1.435 20.657 ( 2.729 1.766 -4.239) 5.342 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.000 -0.000 20.804) 20.804 1.151 ( 0.000 -0.000 20.804) 20.804 3.357 ( 0.000 -0.000 55.219) 55.219 3.762 ( -0.000 0.000 -1.916) 1.916 4.578 ( -0.000 0.000 -16.931) 16.931 4.578 ( -0.000 0.000 -16.931) 16.931 5.902 ( -0.000 0.000 -7.077) 7.077 6.515 ( 0.000 -0.000 11.202) 11.202 6.515 ( 0.000 -0.000 11.202) 11.202 7.562 ( -0.000 0.000 -12.014) 12.014 8.661 ( 0.000 -0.000 2.040) 2.040 8.661 ( 0.000 -0.000 2.040) 2.040 10.138 ( 0.000 -0.000 4.376) 4.376 10.138 ( 0.000 -0.000 4.376) 4.376 10.451 ( 0.000 -0.000 1.593) 1.593 10.451 ( 0.000 -0.000 1.593) 1.593 12.477 ( -0.000 0.000 -4.191) 4.191 12.695 ( -0.000 0.000 -1.305) 1.305 12.994 ( 0.000 -0.000 2.510) 2.510 12.994 ( 0.000 -0.000 2.510) 2.510 13.999 ( -0.000 0.000 -4.522) 4.522 13.999 ( -0.000 0.000 -4.522) 4.522 16.828 ( 0.000 -0.000 12.887) 12.887 16.828 ( 0.000 -0.000 12.887) 12.887 17.213 ( 0.000 -0.000 0.192) 0.192 18.585 ( 0.000 -0.000 0.456) 0.456 19.995 ( -0.000 0.000 -6.884) 6.884 19.995 ( -0.000 0.000 -6.884) 6.884 20.112 ( -0.000 0.000 -2.318) 2.318 20.458 ( 0.000 -0.000 3.230) 3.230 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 8.457 12.610 17.618) 23.258 1.898 ( 39.339 18.808 15.113) 46.149 3.622 ( -6.369 -0.628 23.082) 23.953 3.731 ( 0.612 -0.936 19.626) 19.658 4.400 ( 4.203 -5.911 -9.904) 12.276 4.636 ( 4.240 5.066 -15.753) 17.082 5.788 ( -7.636 -1.382 -4.219) 8.833 6.427 ( -2.472 -10.169 9.201) 13.935 6.684 ( -1.364 5.283 5.664) 7.864 7.139 ( -24.394 -12.781 -1.024) 27.558 8.618 ( -1.511 3.058 2.171) 4.043 8.829 ( 7.459 3.064 1.477) 8.198 10.031 ( -3.286 -1.826 5.000) 6.255 10.400 ( 1.306 -2.683 1.374) 3.285 10.472 ( 0.794 1.519 1.594) 2.340 10.602 ( 21.037 12.216 -2.180) 24.424 12.208 ( -17.257 -9.682 -2.846) 19.991 12.522 ( -8.416 -7.197 -1.269) 11.146 13.056 ( 9.647 -1.152 2.875) 10.133 13.328 ( 15.526 10.763 2.417) 19.046 13.837 ( -9.283 12.437 -5.840) 16.582 14.373 ( 28.047 5.474 -7.975) 29.668 16.657 ( -21.200 -1.980 10.003) 23.525 16.872 ( 3.322 -9.581 11.360) 15.228 17.420 ( 11.275 7.333 5.525) 14.540 18.519 ( -6.399 -3.931 0.213) 7.513 19.736 ( -17.197 -0.017 -5.426) 18.033 19.972 ( 4.442 -5.453 -6.612) 9.653 20.147 ( 1.390 1.580 -3.328) 3.937 20.545 ( 4.930 1.102 1.629) 5.308 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 17.241 17.443 11.982) 27.296 2.747 ( 26.634 14.045 18.085) 35.124 3.522 ( -7.231 0.297 2.656) 7.709 3.904 ( 5.385 1.545 2.181) 6.012 4.528 ( 16.956 -7.827 5.773) 19.547 4.632 ( 1.756 4.035 -2.889) 5.264 5.600 ( -11.734 -1.259 1.151) 11.858 6.325 ( -2.337 -14.552 3.035) 15.048 6.472 ( -17.310 -6.276 -1.643) 18.486 6.878 ( -8.912 6.613 7.973) 13.665 8.677 ( 2.234 4.225 2.664) 5.471 8.952 ( 3.170 2.651 0.128) 4.134 10.054 ( 2.339 0.749 4.659) 5.267 10.417 ( -1.657 3.618 3.297) 5.168 10.435 ( -0.623 -7.091 2.282) 7.475 11.028 ( 16.430 8.532 -6.032) 19.471 11.796 ( -16.660 -11.352 -2.338) 20.295 12.325 ( -4.754 -6.272 -3.760) 8.722 13.251 ( 16.175 -9.152 4.354) 19.088 13.545 ( -2.142 11.186 -7.687) 13.741 13.999 ( 7.124 27.589 5.026) 28.934 14.826 ( 25.774 1.550 -7.447) 26.873 16.320 ( -21.077 -2.574 8.204) 22.763 16.900 ( 2.271 -8.056 9.901) 12.965 17.691 ( 8.882 3.494 8.877) 13.035 18.282 ( -14.686 -8.835 -0.759) 17.155 19.448 ( -13.650 4.413 -8.138) 16.493 19.964 ( 4.650 -4.255 -6.023) 8.718 20.157 ( 0.792 1.194 -3.078) 3.395 20.616 ( 2.741 -1.720 1.034) 3.397 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 17.779 16.047 8.198) 25.314 3.220 ( 6.937 2.479 23.991) 25.097 3.471 ( -2.903 3.102 3.821) 5.715 3.952 ( 2.232 1.412 -12.538) 12.813 4.514 ( 4.655 -8.566 -10.813) 14.559 5.080 ( 24.705 7.238 12.698) 28.705 5.398 ( -11.187 -2.205 7.205) 13.488 5.981 ( -12.371 -18.128 -3.314) 22.196 6.337 ( -4.191 6.672 -1.341) 7.992 6.848 ( -6.678 4.761 6.070) 10.204 8.787 ( 2.575 5.497 2.758) 6.667 8.998 ( 1.613 0.472 -1.649) 2.355 10.097 ( -2.138 -2.133 -0.643) 3.088 10.352 ( -4.063 1.553 6.238) 7.604 10.508 ( 6.242 -2.212 6.627) 9.369 11.196 ( 1.077 2.611 -4.418) 5.243 11.436 ( -11.382 -10.656 -1.916) 15.709 12.221 ( 2.879 -4.309 -8.075) 9.595 13.436 ( 15.332 -15.769 3.143) 22.218 13.544 ( -5.850 18.839 -8.079) 21.317 14.475 ( 8.674 25.604 9.573) 28.678 15.149 ( 17.793 -2.911 -2.297) 18.175 16.070 ( -12.345 2.431 8.071) 14.948 16.906 ( 0.448 -6.983 8.622) 11.104 17.858 ( -15.869 -6.442 -2.203) 17.268 17.885 ( 0.611 -7.556 9.453) 12.118 19.279 ( -6.825 8.604 -12.579) 16.699 19.972 ( 4.377 -2.745 -5.001) 7.191 20.165 ( 0.960 1.219 -2.824) 3.222 20.623 ( 0.565 -3.235 1.191) 3.494 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 14.159 12.307 5.982) 19.690 3.392 ( 1.044 -3.415 14.420) 14.856 3.530 ( -0.048 4.454 11.140) 11.998 3.858 ( -5.254 0.129 -8.367) 9.880 4.476 ( 5.878 -7.237 -6.989) 11.652 5.091 ( -11.658 -8.464 2.165) 14.568 5.596 ( -8.108 -5.432 -5.276) 11.094 5.723 ( 17.765 1.901 3.477) 18.201 6.350 ( -3.976 8.857 -1.483) 9.821 6.879 ( 3.958 5.508 4.652) 8.225 8.870 ( -2.744 7.387 2.183) 8.177 8.993 ( 0.570 -3.889 -3.567) 5.308 9.931 ( -7.500 -6.969 -1.559) 10.357 10.413 ( 1.227 3.857 6.684) 7.814 10.639 ( 4.827 -1.105 7.769) 9.213 11.116 ( -7.016 -1.380 -1.705) 7.351 11.216 ( -4.053 -5.789 1.499) 7.224 12.214 ( 6.945 -3.280 -12.844) 14.965 13.471 ( -3.071 8.900 -5.475) 10.891 13.642 ( 9.239 -6.431 1.148) 11.316 14.726 ( -5.654 7.407 8.401) 12.546 15.440 ( 16.982 5.262 3.234) 18.071 16.088 ( -0.404 8.106 12.971) 15.301 16.890 ( -1.155 -4.692 7.896) 9.257 17.359 ( -20.944 -11.081 -8.066) 25.030 17.961 ( 2.620 -8.218 11.115) 14.070 19.219 ( -1.830 10.965 -16.371) 19.788 19.995 ( 3.969 -1.521 -3.836) 5.725 20.179 ( 1.144 1.274 -2.545) 3.067 20.598 ( -0.395 -3.410 1.590) 3.783 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 8.391 7.920 5.729) 12.883 3.350 ( -6.064 -7.505 4.678) 10.723 3.618 ( -2.584 -0.964 11.131) 11.468 3.796 ( 1.624 4.887 -2.033) 5.537 4.446 ( -1.441 -4.210 -0.164) 4.452 4.852 ( -5.015 -7.773 -1.589) 9.386 5.354 ( -3.853 -7.827 -9.377) 12.807 5.953 ( 1.587 3.890 -1.462) 4.449 6.338 ( -3.151 4.569 2.607) 6.133 7.168 ( 16.333 8.941 -1.401) 18.673 8.769 ( -11.465 -8.543 0.528) 14.307 8.934 ( -5.607 9.105 -3.083) 11.128 9.786 ( -0.010 -8.603 -0.158) 8.604 10.514 ( 2.025 3.397 4.956) 6.341 10.720 ( 0.687 0.967 6.928) 7.029 10.982 ( -4.256 -2.080 -0.600) 4.775 11.207 ( 2.428 -1.961 6.726) 7.415 12.206 ( 5.263 -2.424 -15.465) 16.515 13.478 ( -6.422 15.742 -5.181) 17.774 13.684 ( 6.831 -14.567 0.649) 16.103 14.679 ( -5.430 0.237 7.237) 9.050 15.725 ( 6.587 -0.966 6.165) 9.074 16.292 ( -1.143 10.298 20.865) 23.296 16.900 ( -10.260 0.995 -4.776) 11.361 16.910 ( -1.617 -7.786 -0.249) 7.956 17.962 ( 2.022 -10.403 8.932) 13.860 19.214 ( 0.624 11.255 -18.932) 22.034 20.027 ( 3.504 -0.807 -2.812) 4.565 20.197 ( 1.171 1.454 -2.321) 2.979 20.573 ( -0.035 -2.986 2.139) 3.673 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -14.328 -10.545 10.709) 20.765 3.338 ( 4.804 1.557 -0.156) 5.052 3.605 ( -1.167 0.596 1.810) 2.235 3.858 ( -2.274 0.508 4.161) 4.769 4.385 ( -1.648 -0.564 6.066) 6.311 4.792 ( 4.089 -0.272 -6.384) 7.586 5.210 ( 1.712 -6.028 -9.723) 11.567 5.885 ( -6.869 -2.778 1.293) 7.521 6.422 ( 2.592 9.230 1.725) 9.741 7.322 ( -4.742 -6.200 -5.810) 9.730 8.552 ( -1.584 -0.884 1.152) 2.149 8.903 ( -7.530 9.789 -1.955) 12.504 9.710 ( 0.399 -10.108 0.519) 10.130 10.595 ( 0.707 3.730 3.325) 5.047 10.814 ( 3.298 3.084 7.394) 8.664 10.955 ( 2.731 0.582 -1.915) 3.386 11.266 ( 1.925 -5.408 8.328) 10.114 12.153 ( 1.213 -0.318 -15.835) 15.885 13.478 ( -7.265 10.916 -5.201) 14.107 13.642 ( 5.333 -9.327 0.511) 10.756 14.701 ( 1.728 0.460 8.766) 8.947 15.660 ( -9.687 -10.287 3.439) 14.542 16.358 ( -16.568 3.545 22.026) 27.788 16.691 ( 3.170 -5.106 -8.124) 10.105 17.080 ( 7.069 8.641 8.492) 14.027 17.975 ( 5.571 -7.080 5.063) 10.335 19.211 ( 0.635 10.119 -21.080) 23.392 20.062 ( 3.054 -0.390 -1.889) 3.612 20.215 ( 0.870 1.591 -2.475) 3.068 20.571 ( 1.390 -2.701 2.744) 4.094 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 21.403 30.187 15.275) 40.033 1.790 ( -18.629 30.542 14.253) 38.510 3.669 ( 1.549 -6.078 -0.499) 6.292 3.950 ( 3.205 -2.672 38.464) 38.689 4.244 ( -9.200 -5.099 -10.004) 14.516 4.621 ( 1.318 12.768 -10.975) 16.888 5.766 ( 2.265 -4.874 -5.356) 7.588 6.450 ( -5.709 -12.324 9.574) 16.618 6.731 ( 3.021 -0.202 4.076) 5.077 7.142 ( 2.027 -19.258 -4.065) 19.786 8.608 ( 2.659 -2.853 3.676) 5.359 8.828 ( -0.834 6.644 1.713) 6.912 10.205 ( 2.926 4.949 1.627) 5.975 10.362 ( -10.187 5.493 -0.146) 11.575 10.440 ( 5.660 5.536 3.187) 8.535 10.550 ( -0.096 5.998 1.063) 6.092 12.179 ( 0.282 -20.242 -2.709) 20.424 12.509 ( -1.213 -12.485 -0.753) 12.566 13.043 ( -8.654 2.449 0.976) 9.047 13.359 ( 5.489 20.443 7.850) 22.576 13.919 ( 18.249 10.297 -11.740) 24.018 14.265 ( -14.143 23.493 -6.831) 28.259 16.647 ( 4.750 -22.595 8.541) 24.618 17.050 ( -6.222 3.094 13.410) 15.103 17.407 ( 1.126 10.734 4.701) 11.773 18.532 ( -0.338 -5.822 0.155) 5.834 19.690 ( 8.044 -17.506 -4.230) 19.725 19.928 ( -6.554 1.164 -6.772) 9.496 20.125 ( 0.589 1.517 -3.327) 3.704 20.562 ( -1.148 5.208 1.120) 5.449 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -3.325 31.534 11.112) 33.599 2.528 ( 31.354 27.923 11.695) 43.583 3.601 ( -2.096 -4.705 0.139) 5.153 3.980 ( -11.215 -0.530 0.133) 11.228 4.236 ( 13.161 -4.530 10.438) 17.397 4.682 ( -0.907 4.986 3.916) 6.405 5.708 ( -2.640 -1.681 -3.132) 4.428 6.253 ( -5.638 -18.925 6.591) 20.818 6.589 ( -8.553 -11.925 -2.440) 14.876 7.053 ( -2.206 0.888 3.796) 4.479 8.666 ( 3.576 -0.338 3.036) 4.703 8.929 ( 3.420 5.347 0.194) 6.351 10.176 ( -6.674 4.885 4.178) 9.266 10.307 ( 0.923 -3.979 1.835) 4.478 10.585 ( -4.440 7.181 1.461) 8.568 10.785 ( 18.172 9.262 -2.447) 20.543 11.878 ( -9.940 -18.571 -1.712) 21.134 12.316 ( -5.959 -10.345 -2.343) 12.166 12.987 ( 4.516 -6.188 1.876) 7.887 13.754 ( 3.139 25.596 4.416) 26.163 14.225 ( 1.057 27.752 -6.730) 28.576 14.398 ( 19.081 9.762 -8.571) 23.084 16.482 ( -4.457 -19.567 4.918) 20.662 16.997 ( -9.456 2.754 13.417) 16.644 17.624 ( 8.342 4.217 6.983) 11.668 18.387 ( -8.465 -9.114 -0.721) 12.459 19.563 ( -2.999 -11.789 -6.164) 13.637 19.825 ( -0.123 0.372 -5.052) 5.067 20.131 ( 1.053 0.760 -3.212) 3.464 20.598 ( 0.185 1.728 1.145) 2.081 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 6.295 26.427 7.805) 28.265 3.243 ( 15.992 13.387 17.476) 27.210 3.549 ( 0.220 -1.426 1.919) 2.401 3.842 ( -2.145 1.481 -7.867) 8.288 4.351 ( 2.062 -2.915 -9.060) 9.738 4.880 ( 14.782 3.717 17.318) 23.070 5.585 ( -9.666 -2.991 3.066) 10.573 5.949 ( -8.544 -21.617 -0.912) 23.262 6.417 ( -2.144 -0.982 -1.074) 2.592 7.023 ( -5.987 2.398 2.272) 6.838 8.760 ( 4.987 0.549 2.795) 5.743 9.008 ( 0.683 5.183 -2.054) 5.617 10.139 ( -3.548 -3.084 2.290) 5.229 10.354 ( 4.843 0.055 6.126) 7.810 10.572 ( -5.991 6.970 2.669) 9.570 11.071 ( 10.273 1.671 -4.559) 11.363 11.531 ( -11.298 -12.083 -0.230) 16.544 12.128 ( -2.979 -6.624 -5.226) 8.948 13.074 ( 12.514 -10.308 3.717) 16.634 13.894 ( -12.284 26.551 -6.587) 29.987 14.628 ( 10.110 26.812 9.043) 30.048 14.764 ( 22.335 2.213 -8.498) 23.999 16.244 ( -7.215 -9.411 2.232) 12.067 16.964 ( -5.431 -0.888 12.279) 13.456 17.801 ( 6.302 -4.370 8.346) 11.335 18.069 ( -16.773 -9.447 -1.832) 19.338 19.359 ( -5.227 -2.810 -10.671) 12.210 19.841 ( 4.250 -1.358 -2.789) 5.262 20.138 ( 1.207 0.792 -2.959) 3.292 20.609 ( -0.259 -0.819 1.475) 1.707 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 8.446 20.466 5.528) 22.820 3.447 ( -1.584 -3.743 11.281) 11.991 3.661 ( 0.323 6.204 15.202) 16.422 3.843 ( 3.300 2.903 -10.553) 11.432 4.261 ( 2.948 -5.796 -8.000) 10.310 5.194 ( -3.094 -3.865 1.356) 5.133 5.481 ( 7.616 -4.997 6.016) 10.916 5.625 ( -5.210 -7.943 -1.765) 9.661 6.420 ( 0.612 0.834 -1.321) 1.678 6.970 ( -3.854 6.752 0.539) 7.793 8.837 ( 3.721 -4.272 0.349) 5.676 9.061 ( -0.999 10.400 -1.507) 10.556 9.994 ( -7.934 -7.985 0.366) 11.262 10.502 ( 2.170 4.152 8.484) 9.691 10.581 ( 1.361 2.039 3.130) 3.976 11.083 ( -0.011 -8.170 -2.765) 8.625 11.311 ( -7.215 -3.577 2.091) 8.320 12.046 ( 2.379 -0.666 -8.940) 9.275 13.227 ( 14.464 -11.643 5.460) 19.354 13.868 ( -13.406 23.509 -8.521) 28.373 14.866 ( 0.105 -0.144 2.222) 2.229 15.218 ( 20.191 12.410 5.584) 24.349 16.178 ( 1.697 5.692 2.009) 6.270 16.930 ( -3.386 -5.334 9.695) 11.572 17.595 ( -20.024 -12.709 0.304) 23.718 17.907 ( 1.013 -4.334 6.665) 8.015 19.226 ( -1.401 2.751 -14.962) 15.278 19.891 ( 4.364 -1.022 -1.288) 4.664 20.151 ( 1.405 1.059 -2.768) 3.280 20.596 ( -0.940 -1.629 1.806) 2.607 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 6.722 15.356 3.585) 17.142 3.397 ( -4.269 -7.926 6.580) 11.151 3.765 ( -7.611 -1.728 6.664) 10.263 3.819 ( 1.629 7.780 2.327) 8.283 4.313 ( 10.515 -2.031 -4.779) 11.728 4.908 ( -13.156 -12.171 1.426) 17.979 5.311 ( -5.743 -9.269 -6.922) 12.915 5.857 ( 12.493 4.624 -1.210) 13.377 6.368 ( -1.674 -9.013 2.582) 9.524 7.113 ( 6.304 19.278 -3.356) 20.559 8.785 ( -2.306 -8.480 -1.060) 8.852 9.137 ( -4.409 13.252 -0.911) 13.996 9.770 ( -7.573 -8.434 0.277) 11.338 10.562 ( -1.232 2.691 5.364) 6.126 10.694 ( 6.109 -2.412 5.043) 8.281 10.996 ( -1.276 -4.644 0.832) 4.888 11.206 ( -2.396 -4.204 3.497) 5.970 12.059 ( 3.414 4.081 -10.777) 12.019 13.372 ( 11.877 -12.550 5.405) 18.105 13.808 ( -12.660 20.088 -7.947) 25.039 14.783 ( -5.001 -5.785 3.052) 8.234 15.614 ( 12.196 2.664 7.453) 14.539 16.392 ( 7.110 13.153 2.167) 15.108 16.844 ( -2.061 -13.035 4.061) 13.808 17.197 ( -18.300 -0.110 6.737) 19.501 17.893 ( 0.070 -7.899 6.402) 10.168 19.173 ( 1.487 5.945 -18.389) 19.384 19.947 ( 3.733 -0.632 -0.218) 3.793 20.172 ( 1.539 1.479 -2.807) 3.527 20.574 ( -1.120 -1.564 2.109) 2.854 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( -10.628 -11.073 6.871) 16.816 3.318 ( 3.451 10.020 0.259) 10.601 3.666 ( -3.889 -0.337 2.613) 4.697 3.918 ( -0.469 2.795 4.513) 5.329 4.445 ( 3.403 2.801 3.297) 5.504 4.647 ( -1.835 -10.343 -4.369) 11.377 5.132 ( -2.652 -3.043 -6.580) 7.719 5.924 ( -2.704 -4.791 -2.398) 6.001 6.351 ( 8.812 -6.180 2.822) 11.127 7.372 ( 0.807 17.273 -6.214) 18.374 8.615 ( -6.622 -5.657 1.467) 8.832 9.126 ( -8.586 9.651 -2.243) 13.111 9.630 ( -1.294 -6.306 0.972) 6.510 10.619 ( 2.432 0.940 4.428) 5.138 10.771 ( 4.067 -2.694 2.401) 5.438 10.957 ( -1.166 -1.531 3.808) 4.267 11.192 ( 3.082 -6.513 3.048) 7.824 12.091 ( 0.994 7.418 -10.373) 12.791 13.403 ( 4.471 -13.989 -0.130) 14.687 13.772 ( -8.590 18.638 -3.253) 20.779 14.714 ( 0.442 -3.897 6.185) 7.324 15.714 ( -3.571 -7.742 6.471) 10.704 16.519 ( 5.013 -0.937 -13.456) 14.390 16.718 ( -9.412 -5.465 18.503) 21.467 17.152 ( 0.154 8.210 11.745) 14.330 17.869 ( 2.050 -5.169 4.445) 7.119 19.153 ( 2.029 7.634 -20.918) 22.360 20.000 ( 3.108 -0.418 0.496) 3.175 20.195 ( 1.376 1.941 -3.362) 4.118 20.558 ( -0.539 -1.588 2.437) 2.958 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 1.839 27.510 13.333) 30.626 2.584 ( -26.720 27.249 10.837) 39.673 3.545 ( 4.392 -6.298 1.757) 7.877 3.935 ( 3.555 -2.991 3.047) 5.556 4.484 ( -12.253 2.870 -0.196) 12.586 4.708 ( -1.402 13.634 7.402) 15.577 5.609 ( 5.326 -8.115 -1.164) 9.777 6.401 ( 2.029 -15.202 0.903) 15.363 6.642 ( 6.931 -5.998 1.468) 9.283 6.835 ( 9.455 -10.977 4.348) 15.126 8.620 ( -2.967 -0.790 4.837) 5.729 8.920 ( -2.566 3.779 0.046) 4.568 10.178 ( 5.005 7.454 3.826) 9.760 10.338 ( 1.514 -6.156 2.117) 6.684 10.593 ( 1.451 5.806 1.733) 6.230 10.810 ( -17.489 13.212 -3.837) 22.252 11.890 ( 8.928 -16.418 -2.727) 18.887 12.352 ( 2.868 -11.349 -1.720) 11.831 13.295 ( -4.692 10.954 -0.140) 11.917 13.550 ( -15.362 -2.238 4.963) 16.298 13.729 ( 12.271 21.168 -4.738) 24.922 14.752 ( -16.883 27.165 -8.397) 33.068 16.350 ( 9.007 -23.228 7.975) 26.158 17.126 ( 6.216 4.832 8.595) 11.656 17.650 ( -10.567 7.649 8.692) 15.676 18.403 ( 8.217 -8.605 0.064) 11.898 19.337 ( 7.873 -19.126 -4.018) 21.069 19.968 ( -1.693 2.410 -6.547) 7.179 20.117 ( -0.884 0.216 -2.857) 2.998 20.640 ( -1.597 3.989 -0.509) 4.326 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 10.972 27.203 5.622) 29.867 2.604 ( -6.503 34.133 10.502) 36.300 3.546 ( 1.411 -5.659 1.064) 5.928 3.978 ( 4.411 -3.689 -1.654) 5.983 4.323 ( -10.799 6.023 0.792) 12.391 4.808 ( -3.797 3.945 12.737) 13.864 5.633 ( 5.377 -4.493 -0.288) 7.013 6.200 ( -5.477 -19.355 0.883) 20.134 6.532 ( -2.801 -14.912 0.617) 15.185 7.003 ( 9.322 -1.119 2.075) 9.616 8.635 ( 1.229 0.042 5.098) 5.244 8.947 ( 0.739 4.963 -0.532) 5.046 10.189 ( -1.377 -7.263 2.830) 7.916 10.469 ( -3.522 6.243 -0.405) 7.179 10.612 ( 7.662 7.816 -0.021) 10.945 10.773 ( -5.709 14.136 1.627) 15.332 11.762 ( -0.861 -18.787 -1.819) 18.895 12.235 ( 0.299 -14.077 -1.419) 14.152 13.081 ( -16.582 1.004 1.347) 16.667 13.770 ( 20.584 10.353 0.632) 23.050 14.154 ( 11.311 27.117 -3.370) 29.574 14.697 ( -15.509 29.338 -8.138) 34.168 16.285 ( 4.853 -22.438 5.942) 23.714 17.238 ( -3.644 1.633 8.635) 9.514 17.643 ( -2.702 5.439 7.722) 9.825 18.373 ( -0.837 -9.575 -0.963) 9.660 19.282 ( 9.361 -19.852 -2.636) 22.106 19.888 ( -5.009 2.529 -5.597) 7.926 20.103 ( 0.625 0.429 -2.658) 2.764 20.638 ( -1.689 2.173 -0.321) 2.771 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -1.241 24.922 1.970) 25.031 3.163 ( 19.283 22.400 7.389) 30.466 3.509 ( -0.649 -4.767 2.846) 5.590 3.960 ( -5.289 1.979 1.342) 5.804 4.271 ( -0.119 3.541 -8.624) 9.323 4.877 ( 1.533 1.719 16.572) 16.732 5.663 ( 0.477 -3.859 2.924) 4.865 5.881 ( -10.053 -20.016 0.807) 22.413 6.372 ( -0.037 -8.889 -2.528) 9.242 7.091 ( 0.995 0.197 0.351) 1.073 8.705 ( 3.140 -0.119 3.876) 4.990 9.018 ( 2.671 5.005 -1.943) 5.996 10.108 ( -0.442 -9.958 2.998) 10.409 10.425 ( -4.258 7.017 0.923) 8.260 10.791 ( -6.595 10.223 3.625) 12.694 10.895 ( 10.265 5.240 -2.445) 11.781 11.534 ( -4.751 -14.253 -0.843) 15.048 12.088 ( -2.022 -10.371 -1.137) 10.628 12.929 ( -2.131 -1.706 1.642) 3.186 14.185 ( 13.180 8.567 -0.350) 15.723 14.497 ( 2.519 25.220 -10.992) 27.626 14.803 ( 2.044 25.595 2.910) 25.841 16.176 ( 1.683 -14.159 2.738) 14.520 17.176 ( -9.738 0.775 7.942) 12.590 17.708 ( 2.981 -5.681 6.369) 9.040 18.201 ( -8.743 -6.608 -0.005) 10.959 19.205 ( 5.438 -15.847 -6.691) 18.040 19.826 ( -2.243 3.471 -2.525) 4.843 20.109 ( 1.121 0.617 -2.299) 2.631 20.627 ( -1.110 0.210 0.627) 1.292 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 4.290 21.713 2.282) 22.250 3.465 ( 0.758 -5.118 0.999) 5.270 3.635 ( 13.466 8.728 4.847) 16.764 3.902 ( -6.783 5.458 5.129) 10.105 4.203 ( -3.440 -2.290 -6.081) 7.352 5.114 ( 10.277 4.370 6.057) 12.704 5.501 ( -13.536 -16.288 1.191) 21.212 5.607 ( -2.122 -6.140 4.742) 8.043 6.337 ( 4.252 -4.809 -4.443) 7.807 7.089 ( -1.991 5.825 -1.241) 6.280 8.749 ( 1.941 -3.630 0.717) 4.178 9.124 ( 3.857 8.390 -1.284) 9.323 10.004 ( -2.679 -10.834 2.721) 11.487 10.481 ( 2.459 4.851 1.081) 5.545 10.762 ( -9.037 6.065 4.344) 11.719 10.985 ( 2.081 -3.560 -1.558) 4.408 11.360 ( -3.867 -7.226 0.175) 8.198 11.999 ( 0.027 -1.006 -2.099) 2.328 12.971 ( 8.078 -5.320 3.968) 10.455 14.286 ( -11.466 19.058 -5.106) 22.820 14.700 ( 10.921 2.507 -8.965) 14.350 15.163 ( 9.475 14.800 8.466) 19.506 16.182 ( 5.048 5.252 1.108) 7.369 17.031 ( -9.830 -5.935 4.775) 12.436 17.634 ( -2.544 -17.402 3.119) 17.862 18.028 ( -9.888 2.602 5.673) 11.693 19.102 ( 3.771 -8.258 -12.127) 15.149 19.845 ( 1.265 2.361 0.325) 2.699 20.123 ( 1.277 1.003 -2.061) 2.624 20.614 ( -1.015 -0.594 1.469) 1.882 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 4.558 17.848 2.205) 18.553 3.415 ( -2.200 -6.390 3.453) 7.589 3.785 ( 0.521 0.090 -6.695) 6.716 4.005 ( 0.357 7.936 16.030) 17.891 4.099 ( 2.739 -2.253 -5.871) 6.859 5.044 ( -15.048 -12.096 2.568) 19.477 5.254 ( -1.520 -8.688 -4.146) 9.746 5.693 ( 9.803 3.499 2.611) 10.731 6.278 ( -0.282 -12.362 -1.972) 12.522 7.207 ( 4.252 19.465 -3.680) 20.261 8.712 ( 0.348 -6.865 -1.181) 6.975 9.273 ( 2.231 10.209 -0.639) 10.470 9.834 ( -7.473 -8.573 1.626) 11.488 10.579 ( 4.942 -0.134 -0.265) 4.951 10.672 ( -5.937 -1.409 5.047) 7.919 10.977 ( 0.310 -0.436 2.542) 2.598 11.223 ( -4.311 -7.407 0.056) 8.570 12.035 ( 1.693 7.064 -3.293) 7.976 13.105 ( 11.026 -8.343 5.760) 14.978 14.204 ( -15.494 20.316 -7.222) 26.551 14.731 ( 2.728 -9.737 -2.441) 10.403 15.488 ( 11.887 6.521 6.523) 15.046 16.416 ( 5.200 16.633 -5.997) 18.430 16.800 ( -5.520 -15.589 7.019) 17.966 17.412 ( -7.261 -11.844 4.963) 14.753 17.960 ( -7.651 2.421 8.696) 11.833 19.040 ( 4.731 -1.507 -16.355) 17.092 19.902 ( 2.365 1.282 1.852) 3.265 20.145 ( 1.396 1.541 -2.208) 3.033 20.599 ( -1.330 -0.479 1.976) 2.429 ======================= Grid point 510 (253/294) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( -6.995 -9.095 3.766) 12.076 3.397 ( 2.049 13.270 -0.805) 13.451 3.723 ( -1.921 -1.464 -1.246) 2.717 4.007 ( -4.440 1.407 5.276) 7.038 4.312 ( 12.514 4.004 0.731) 13.159 4.700 ( -13.296 -9.398 2.232) 16.434 5.126 ( -2.863 -2.932 -3.696) 5.518 5.860 ( 4.454 -0.797 -4.141) 6.133 6.128 ( 4.013 -16.005 2.152) 16.640 7.505 ( 5.314 25.459 -5.496) 26.582 8.628 ( -1.489 -7.084 0.405) 7.250 9.306 ( -6.099 1.796 -2.385) 6.791 9.676 ( -5.919 1.034 2.019) 6.338 10.587 ( 1.408 -2.878 -0.514) 3.245 10.679 ( 3.956 -5.178 5.378) 8.449 10.995 ( -1.835 -0.637 4.575) 4.971 11.108 ( 0.238 -5.682 -1.210) 5.814 12.124 ( 0.802 10.484 -3.841) 11.195 13.197 ( 6.497 -10.848 3.301) 13.068 14.107 ( -12.558 17.804 -4.999) 22.353 14.667 ( 2.058 -7.738 1.972) 8.246 15.713 ( 3.169 -1.869 8.617) 9.369 16.342 ( -0.652 -3.673 -21.357) 21.680 16.838 ( 0.739 -4.517 19.059) 19.601 17.281 ( -1.455 -2.560 6.378) 7.025 17.916 ( -5.949 2.052 8.176) 10.318 19.029 ( 5.064 3.851 -18.767) 19.816 19.964 ( 2.274 0.658 2.545) 3.475 20.172 ( 1.367 2.132 -2.909) 3.857 20.583 ( -1.639 -0.330 2.188) 2.754 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -9.465 22.958 10.910) 27.123 3.209 ( -15.861 9.956 10.645) 21.541 3.474 ( 1.090 -2.230 7.763) 8.150 3.873 ( 0.379 -0.461 -7.216) 7.241 4.572 ( -0.283 9.054 -13.874) 16.569 5.054 ( -12.154 11.613 14.189) 21.998 5.445 ( 4.787 -9.337 5.304) 11.758 6.160 ( 5.104 -14.789 -4.024) 16.154 6.352 ( 17.389 -3.638 -1.948) 17.872 6.776 ( -3.350 -7.473 9.161) 12.288 8.709 ( -3.940 -1.248 3.975) 5.735 8.990 ( -2.337 4.285 -1.096) 5.003 10.181 ( 6.998 3.225 0.597) 7.729 10.294 ( -3.874 -5.674 4.582) 8.258 10.650 ( 1.688 7.981 5.746) 9.978 11.075 ( -7.343 1.994 -5.638) 9.470 11.577 ( 10.762 -8.921 -3.195) 14.339 12.227 ( -0.126 -4.438 -4.348) 6.215 13.281 ( 2.314 -0.816 -9.352) 9.668 13.824 ( 7.578 26.805 5.378) 28.370 13.990 ( -30.805 -3.287 7.423) 31.857 15.186 ( -9.619 22.179 -5.351) 24.760 16.052 ( 5.748 -18.327 8.041) 20.823 17.097 ( 6.858 3.543 5.463) 9.457 17.915 ( -3.098 4.101 6.794) 8.519 18.097 ( 13.883 -9.248 3.145) 16.975 19.056 ( 0.940 -15.947 -7.260) 17.547 19.973 ( -0.715 2.906 -5.857) 6.577 20.123 ( -1.561 -0.017 -2.424) 2.884 20.673 ( 0.593 2.144 -1.023) 2.449 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 4.289 28.123 6.001) 29.075 3.116 ( -13.136 15.847 6.728) 21.655 3.509 ( -0.349 -0.671 4.689) 4.750 3.878 ( 4.009 -1.529 0.213) 4.296 4.498 ( -7.061 6.486 -14.337) 17.247 5.040 ( -8.420 4.532 12.150) 15.462 5.482 ( 6.343 -8.726 6.389) 12.538 6.045 ( 2.096 -14.378 -4.656) 15.258 6.451 ( -0.328 -10.052 0.508) 10.070 6.815 ( 9.955 -3.117 6.092) 12.080 8.687 ( -1.724 0.790 5.322) 5.650 8.991 ( -1.725 4.609 -1.416) 5.121 10.169 ( -2.539 -9.910 2.842) 10.617 10.420 ( 10.315 8.964 1.767) 13.779 10.697 ( -5.304 3.425 0.700) 6.352 11.004 ( -3.595 9.883 -2.620) 10.838 11.574 ( 2.980 -12.106 -2.199) 12.660 12.086 ( -1.704 -12.384 -2.498) 12.748 13.456 ( 5.982 10.224 -7.014) 13.766 13.519 ( -15.591 -2.062 3.358) 16.082 14.271 ( 9.712 26.813 6.304) 29.206 15.185 ( -13.803 26.557 -7.567) 30.872 16.015 ( 6.212 -19.273 7.512) 21.598 17.246 ( 5.160 0.562 2.452) 5.741 17.893 ( -11.607 5.874 8.256) 15.408 18.188 ( 10.081 -12.183 -2.096) 15.951 18.937 ( 6.817 -18.543 -0.285) 19.758 19.938 ( -2.269 2.476 -5.517) 6.458 20.091 ( -0.555 0.127 -1.710) 1.802 20.673 ( -1.100 0.885 -1.546) 2.094 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 2.057 18.988 -5.777) 19.953 3.249 ( 1.465 18.053 10.100) 20.738 3.518 ( -0.394 0.190 3.878) 3.903 3.979 ( 5.442 2.141 4.971) 7.676 4.320 ( -7.613 2.023 -14.197) 16.236 5.028 ( -4.944 3.044 11.339) 12.739 5.535 ( 5.960 -13.576 7.306) 16.529 5.904 ( -4.073 -5.585 -3.432) 7.717 6.284 ( -5.214 -9.499 0.440) 10.845 6.990 ( 9.589 -2.482 0.865) 9.942 8.721 ( -0.385 1.847 5.436) 5.754 9.005 ( 0.918 2.829 -2.493) 3.881 10.050 ( -1.874 -10.160 2.647) 10.665 10.557 ( -4.109 3.757 -0.775) 5.622 10.751 ( 8.699 6.154 -0.628) 10.674 11.053 ( -4.323 11.917 0.586) 12.691 11.444 ( -2.073 -11.358 -1.241) 11.612 11.957 ( 2.162 -12.769 -0.122) 12.951 13.139 ( -19.071 2.702 2.708) 19.451 13.846 ( 22.526 4.759 -7.511) 24.218 14.698 ( 6.623 21.004 5.633) 22.732 15.165 ( -13.368 27.891 -7.016) 31.715 16.000 ( 6.221 -11.115 5.332) 13.809 17.294 ( -0.308 -1.477 0.092) 1.511 17.733 ( -10.400 -7.162 3.136) 13.011 18.218 ( 2.952 -2.933 1.656) 4.479 18.882 ( 7.489 -18.626 -0.571) 20.083 19.893 ( -2.859 3.323 -3.123) 5.383 20.088 ( 0.666 0.538 -1.074) 1.374 20.648 ( -1.175 -0.261 -0.627) 1.357 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 5.723 15.997 -5.421) 17.834 3.416 ( 0.038 4.135 0.784) 4.209 3.603 ( 4.361 3.645 5.695) 8.047 4.056 ( -5.250 -0.171 0.295) 5.261 4.208 ( 1.314 3.818 -1.962) 4.489 5.087 ( 2.029 1.781 6.477) 7.017 5.453 ( -1.568 -18.159 4.461) 18.765 5.755 ( -11.295 0.101 5.542) 12.581 6.180 ( 2.774 -3.696 -6.138) 7.683 7.098 ( 5.184 2.422 -1.701) 5.969 8.733 ( -2.274 -1.108 2.234) 3.375 9.075 ( 6.544 2.158 -1.311) 7.014 9.946 ( -1.130 -9.359 2.527) 9.760 10.536 ( -1.879 5.452 -1.819) 6.047 10.851 ( 0.298 -4.558 0.107) 4.569 11.073 ( -6.594 11.198 0.137) 12.996 11.319 ( -1.291 -7.382 -0.928) 7.551 11.934 ( 5.318 -5.713 3.559) 8.578 12.960 ( -7.090 2.058 2.661) 7.847 14.184 ( 19.569 -1.147 -5.010) 20.233 14.837 ( -9.674 13.419 -6.311) 17.706 15.262 ( -0.973 18.504 2.479) 18.695 16.134 ( 9.546 7.834 4.123) 13.019 17.173 ( -11.323 -5.110 -2.638) 12.700 17.494 ( -2.047 -17.784 -1.016) 17.930 18.246 ( -4.950 4.882 8.920) 11.310 18.819 ( 7.742 -15.155 -6.908) 18.367 19.881 ( -1.299 3.488 0.013) 3.722 20.106 ( 1.012 1.047 -0.627) 1.585 20.628 ( -0.554 -0.619 0.644) 1.051 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 8.423 12.200 -2.455) 15.027 3.422 ( -2.343 2.452 0.546) 3.435 3.705 ( 3.554 -1.886 -2.684) 4.836 3.961 ( 1.066 -0.412 -5.484) 5.602 4.260 ( -4.841 3.456 11.346) 12.810 5.127 ( 0.935 -6.746 0.588) 6.836 5.217 ( -10.752 -11.491 2.836) 15.990 5.677 ( -2.032 2.518 6.423) 7.192 6.143 ( 0.692 -7.422 -5.705) 9.387 7.260 ( 7.554 15.156 -3.631) 17.319 8.660 ( -2.633 -4.825 -0.932) 5.575 9.222 ( 8.953 -1.126 0.052) 9.024 9.862 ( -2.628 -4.095 2.318) 5.390 10.562 ( -0.223 5.092 -2.913) 5.870 10.731 ( -4.638 -9.408 2.359) 10.751 11.062 ( -4.861 7.107 -1.192) 8.693 11.209 ( -3.486 -7.039 0.060) 7.855 12.051 ( 5.122 4.093 4.802) 8.127 12.956 ( 2.921 -1.553 4.245) 5.382 14.403 ( 11.785 -3.757 -1.367) 12.445 14.664 ( -13.947 6.622 -10.933) 18.918 15.461 ( 4.855 11.984 4.592) 13.721 16.457 ( 7.294 18.377 -4.017) 20.176 16.813 ( -11.964 -17.145 1.265) 20.945 17.330 ( 0.424 -14.624 -0.997) 14.664 18.237 ( -10.563 5.400 13.450) 17.934 18.789 ( 9.363 -7.267 -13.029) 17.613 19.912 ( 0.425 2.691 2.255) 3.536 20.132 ( 0.979 1.629 -0.709) 2.028 20.623 ( -0.482 -0.230 1.528) 1.619 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( -3.608 -5.413 0.437) 6.520 3.470 ( 0.946 9.989 -4.738) 11.096 3.683 ( 2.590 -3.147 -0.308) 4.087 4.031 ( 6.065 3.048 -6.032) 9.081 4.280 ( -2.034 1.379 11.203) 11.469 4.895 ( -15.646 -5.641 4.348) 17.191 5.097 ( 0.765 -4.090 -1.365) 4.379 5.759 ( 4.444 1.717 0.388) 4.780 5.979 ( -3.385 -14.217 -1.724) 14.716 7.589 ( 10.178 24.236 -4.630) 26.691 8.568 ( -0.693 -6.051 -1.056) 6.182 9.276 ( 3.335 -11.677 -0.819) 12.172 9.831 ( -4.379 8.067 2.340) 9.473 10.548 ( -1.970 -2.806 -3.606) 4.976 10.622 ( -0.099 -5.583 3.967) 6.850 11.038 ( -0.182 -0.288 -3.718) 3.733 11.093 ( -5.457 -2.054 3.824) 6.973 12.202 ( 1.842 9.065 3.197) 9.787 13.033 ( 5.551 -5.717 4.536) 9.169 14.433 ( -12.570 7.540 -8.419) 16.904 14.510 ( 7.176 -5.607 0.583) 9.125 15.698 ( 6.067 6.244 7.829) 11.709 16.255 ( -11.303 -7.085 -22.730) 26.356 16.868 ( 4.506 -1.592 15.840) 16.545 17.217 ( 3.191 -7.999 -0.864) 8.656 18.157 ( -11.460 1.392 10.948) 15.910 18.842 ( 8.926 2.775 -13.528) 16.444 19.966 ( 1.148 1.817 3.342) 3.973 20.160 ( 0.901 2.198 -1.411) 2.763 20.621 ( -1.182 0.209 1.773) 2.141 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -11.121 17.763 9.311) 22.932 3.413 ( -4.828 -1.355 2.642) 5.669 3.589 ( -1.456 1.951 18.178) 18.340 3.806 ( 1.524 -2.235 -7.901) 8.351 4.558 ( 2.440 7.708 -11.094) 13.728 5.203 ( 5.740 -4.544 -0.769) 7.361 5.488 ( -8.885 -2.917 5.634) 10.918 5.922 ( 11.470 1.684 -2.558) 11.872 6.116 ( -2.010 -10.106 -3.513) 10.887 6.866 ( -4.839 2.007 9.471) 10.824 8.738 ( -2.119 -6.272 1.796) 6.859 9.078 ( -0.253 8.043 -1.188) 8.134 10.021 ( 7.867 -4.673 -2.178) 9.405 10.386 ( -4.211 0.700 6.166) 7.500 10.742 ( 2.082 6.035 7.177) 9.606 11.064 ( -1.157 -8.086 -1.314) 8.274 11.335 ( 8.824 -3.386 -2.597) 9.801 12.213 ( -1.537 4.924 -9.578) 10.879 13.192 ( -3.088 -5.892 -9.557) 11.645 13.971 ( 8.223 22.278 5.780) 24.440 14.481 ( -22.620 -6.579 10.283) 25.704 15.402 ( -3.692 10.376 -2.579) 11.312 16.012 ( -6.893 -3.642 11.987) 14.299 17.030 ( 6.746 0.619 3.105) 7.452 17.560 ( 21.921 -12.421 -4.446) 25.585 18.175 ( 0.777 7.759 13.887) 15.926 18.903 ( -6.005 -12.318 -12.888) 18.812 19.983 ( -1.230 2.552 -4.759) 5.538 20.139 ( -1.773 0.309 -2.123) 2.783 20.659 ( 1.983 1.139 -0.772) 2.414 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -3.857 23.476 6.920) 24.776 3.344 ( -3.557 1.643 2.701) 4.759 3.632 ( -5.511 1.546 8.872) 10.558 3.813 ( 3.647 0.826 0.740) 3.811 4.532 ( -2.981 2.674 -15.303) 15.818 5.212 ( -0.866 0.996 -1.726) 2.173 5.370 ( -1.262 -12.062 8.929) 15.060 5.852 ( 1.214 -11.024 -5.078) 12.198 6.280 ( 14.345 1.714 -1.533) 14.528 6.831 ( -7.753 0.422 11.360) 13.760 8.709 ( 1.670 -2.613 2.791) 4.171 9.106 ( -5.068 7.994 -0.190) 9.467 10.064 ( 4.453 -9.758 -0.143) 10.727 10.408 ( 1.945 6.045 3.601) 7.300 10.837 ( -5.656 3.198 4.539) 7.926 10.983 ( 5.543 -3.195 -4.342) 7.732 11.401 ( 6.308 -6.123 -2.785) 9.222 12.079 ( -8.758 -3.394 -5.167) 10.720 13.224 ( 12.232 5.262 -9.091) 16.123 14.027 ( -28.911 -2.193 7.271) 29.892 14.388 ( 9.453 20.663 7.349) 23.882 15.459 ( 0.206 11.219 -6.233) 12.836 15.936 ( -6.599 -3.262 12.732) 14.707 17.150 ( 6.549 -0.156 -2.291) 6.939 17.774 ( 20.061 -12.330 -3.467) 23.801 18.207 ( -13.112 5.122 4.642) 14.823 18.705 ( 3.550 -14.192 1.541) 14.711 19.957 ( -1.159 2.464 -4.906) 5.611 20.103 ( -1.510 0.256 -1.073) 1.870 20.673 ( 0.168 -0.044 -1.948) 1.956 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -4.068 15.922 -3.854) 16.879 3.418 ( 2.573 6.039 9.237) 11.331 3.593 ( -4.844 3.359 2.229) 6.302 3.943 ( 6.272 4.842 6.509) 10.255 4.342 ( -6.618 -2.617 -16.460) 17.933 5.164 ( -4.094 -2.596 2.510) 5.459 5.341 ( 5.814 -14.520 7.749) 17.455 5.798 ( 4.637 -3.658 -5.529) 8.090 6.414 ( -4.047 4.459 0.833) 6.079 6.819 ( 3.372 -2.742 7.012) 8.250 8.759 ( 2.587 0.297 3.971) 4.748 9.065 ( -6.482 4.435 -1.098) 7.930 9.981 ( -0.571 -11.946 1.686) 12.077 10.583 ( 5.841 4.571 1.741) 7.619 10.744 ( -3.329 3.332 -3.080) 5.628 11.086 ( 6.110 1.221 -1.656) 6.448 11.394 ( 1.233 -4.706 -2.647) 5.538 11.875 ( -6.381 -5.890 0.142) 8.685 13.496 ( 17.897 3.861 -6.648) 19.478 13.585 ( -26.080 2.571 3.986) 26.508 14.758 ( 9.030 11.783 5.798) 15.937 15.530 ( -3.718 18.147 -8.709) 20.469 15.916 ( -1.331 0.077 12.605) 12.675 17.209 ( 4.724 -2.051 -5.814) 7.766 17.814 ( -4.094 -15.432 -7.054) 17.455 18.084 ( 4.506 1.567 -0.737) 4.828 18.692 ( 1.538 -10.906 11.665) 16.043 19.937 ( -1.211 3.018 -3.567) 4.827 20.088 ( -0.355 0.597 0.230) 0.732 20.650 ( -0.650 -0.963 -1.638) 2.008 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 0.967 12.202 -6.665) 13.938 3.534 ( -2.605 4.167 7.087) 8.624 3.581 ( 1.481 0.259 -0.625) 1.629 4.082 ( -4.207 -5.052 -7.218) 9.763 4.211 ( 5.751 9.643 1.858) 11.380 5.084 ( -0.378 -8.764 2.485) 9.118 5.314 ( 2.535 -15.685 8.016) 17.796 5.849 ( 2.911 2.696 -2.815) 4.865 6.293 ( -14.723 7.126 1.907) 16.467 6.957 ( 10.571 0.325 0.516) 10.589 8.815 ( -2.019 1.119 4.419) 4.986 8.984 ( -0.814 -2.583 -2.476) 3.669 9.882 ( 0.442 -9.046 1.779) 9.230 10.599 ( -2.280 2.841 -2.629) 4.493 10.806 ( 2.227 0.766 -1.325) 2.702 11.147 ( 2.548 -1.602 -3.201) 4.394 11.343 ( -3.056 2.715 -3.494) 5.378 11.809 ( 3.290 -4.821 7.369) 9.401 13.247 ( -19.469 3.822 4.416) 20.326 13.806 ( 19.644 -0.329 -5.755) 20.472 14.923 ( 1.767 -0.326 -1.013) 2.063 15.573 ( -8.338 20.599 -4.466) 22.667 16.097 ( 8.716 11.000 9.104) 16.729 17.200 ( 1.478 -3.305 -6.726) 7.638 17.416 ( -14.050 -17.721 -10.037) 24.742 18.254 ( 13.059 -0.963 -1.877) 13.228 18.648 ( -4.597 -7.959 12.526) 15.536 19.934 ( -1.088 3.186 -0.801) 3.461 20.104 ( 0.596 1.166 0.991) 1.642 20.626 ( -0.050 -1.058 -0.512) 1.176 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 7.434 10.488 -5.766) 14.089 3.531 ( -3.961 4.859 -0.254) 6.274 3.604 ( 2.991 -6.205 0.610) 6.916 3.922 ( -2.079 -1.393 -8.600) 8.957 4.383 ( 0.430 3.653 7.066) 7.966 5.009 ( 2.245 -11.338 -0.173) 11.560 5.251 ( -0.696 -10.347 8.705) 13.540 5.841 ( -6.274 1.510 3.528) 7.355 6.141 ( -9.753 3.632 -2.960) 10.820 7.196 ( 12.642 11.480 -2.224) 17.221 8.718 ( -8.495 -1.608 -0.024) 8.645 9.001 ( 8.721 -10.878 0.469) 13.950 9.864 ( 2.147 -0.975 2.040) 3.118 10.588 ( -0.635 2.450 -4.296) 4.986 10.748 ( -4.870 -3.702 0.170) 6.120 11.097 ( -1.065 -4.933 -4.851) 7.000 11.299 ( -5.756 6.282 -2.833) 8.979 11.975 ( 10.650 -0.144 11.395) 15.598 13.061 ( -10.511 3.852 3.995) 11.886 14.063 ( 17.426 -6.413 -2.340) 18.716 14.834 ( -6.675 -0.218 -8.757) 11.013 15.625 ( -4.392 15.336 1.669) 16.040 16.462 ( 11.502 16.811 2.195) 20.487 16.877 ( -17.823 -17.245 -9.627) 26.603 17.161 ( 2.119 -9.572 -5.707) 11.344 18.445 ( 14.540 -5.610 -8.603) 17.802 18.552 ( -10.824 1.489 16.590) 19.865 19.954 ( -0.390 2.933 1.792) 3.460 20.135 ( 0.668 1.634 0.996) 2.027 20.625 ( 0.704 -0.417 0.535) 0.977 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( 1.344 2.146 -6.055) 6.563 3.485 ( -0.910 -2.310 -6.817) 7.255 3.603 ( 4.028 -1.528 4.170) 5.996 3.923 ( 5.086 4.178 -5.251) 8.420 4.391 ( -3.561 -1.450 5.830) 6.984 4.945 ( 2.308 -9.979 -1.091) 10.300 5.172 ( -8.337 -1.025 8.520) 11.964 5.790 ( -3.182 2.146 4.361) 5.809 5.958 ( -9.114 -5.081 -3.985) 11.170 7.567 ( 14.797 19.294 -2.726) 24.467 8.564 ( -5.589 -3.027 -1.719) 6.585 9.008 ( 8.302 -19.084 0.720) 20.824 9.955 ( 2.360 7.939 2.542) 8.663 10.507 ( -3.265 -8.524 -2.229) 9.396 10.666 ( -4.307 3.828 -2.184) 6.163 11.000 ( -1.025 -3.663 -3.887) 5.438 11.232 ( -6.885 4.173 -0.852) 8.096 12.228 ( 8.302 3.443 10.557) 13.865 13.003 ( -2.896 1.041 3.935) 4.995 14.220 ( 12.013 -10.107 -1.719) 15.793 14.661 ( -8.251 4.687 -8.530) 12.759 15.746 ( 1.839 7.651 6.116) 9.966 16.290 ( -17.368 -8.548 -23.029) 30.084 16.848 ( 8.422 2.503 11.421) 14.410 17.064 ( 2.470 -6.856 -5.410) 9.075 18.352 ( -6.234 -8.853 0.536) 10.841 18.698 ( 6.367 9.960 4.075) 12.504 19.996 ( 0.269 2.445 3.254) 4.079 20.166 ( 0.464 1.998 0.375) 2.085 20.640 ( 0.315 0.292 0.862) 0.963 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( -8.175 12.153 8.165) 16.769 3.465 ( 1.062 -2.289 4.767) 5.394 3.676 ( 3.488 -4.985 -0.308) 6.092 3.740 ( -2.716 4.750 6.967) 8.859 4.503 ( 3.058 1.065 -5.831) 6.670 5.004 ( 11.025 -4.383 0.336) 11.869 5.409 ( 5.315 -5.686 -8.345) 11.412 5.880 ( -1.845 0.028 -0.884) 2.046 6.126 ( -9.326 -11.019 -0.947) 14.466 7.125 ( -9.285 16.844 5.350) 19.964 8.707 ( -2.805 -9.843 1.160) 10.300 9.029 ( 13.169 2.476 -2.615) 13.653 9.896 ( 2.272 1.941 -1.625) 3.401 10.496 ( -2.670 0.837 5.839) 6.475 10.729 ( 2.170 -3.760 2.725) 5.125 11.017 ( 2.184 -4.733 3.915) 6.519 11.239 ( -1.391 -0.242 2.652) 3.004 12.212 ( 1.779 8.811 -13.980) 16.621 13.162 ( -7.392 -8.334 -7.016) 13.165 14.014 ( 11.771 14.469 2.933) 18.882 14.665 ( -4.268 -7.982 9.546) 13.154 15.645 ( -13.816 7.760 -0.427) 15.852 16.236 ( -8.466 -3.734 21.645) 23.540 16.908 ( 7.350 -2.926 -5.134) 9.431 17.098 ( 16.139 -5.292 -1.229) 17.028 18.244 ( 9.014 6.643 12.817) 17.019 18.865 ( -11.234 -7.233 -17.418) 21.952 20.006 ( -1.849 2.008 -3.711) 4.607 20.161 ( -1.669 0.693 -1.819) 2.565 20.632 ( 1.915 1.080 -0.095) 2.201 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -3.813 16.078 8.447) 18.558 3.418 ( -4.557 -0.354 1.106) 4.702 3.690 ( 2.302 -2.411 0.256) 3.343 3.821 ( 0.670 4.215 8.147) 9.197 4.478 ( -0.215 -1.847 -11.616) 11.764 5.118 ( 6.835 -3.632 0.911) 7.794 5.292 ( -1.429 -14.823 -4.454) 15.543 5.777 ( -4.201 -4.945 -4.282) 7.774 6.074 ( 9.495 -1.284 1.793) 9.748 7.150 ( -12.353 15.169 8.125) 21.183 8.638 ( 2.619 -5.506 1.507) 6.281 9.224 ( 4.036 6.641 -0.186) 7.773 9.902 ( 2.123 -4.230 -2.180) 5.211 10.489 ( -3.127 2.059 4.988) 6.236 10.782 ( 8.595 -6.090 -2.749) 10.886 10.986 ( -5.090 -1.009 6.071) 7.986 11.230 ( 3.827 -4.861 -1.955) 6.488 12.181 ( -6.163 4.189 -8.867) 11.583 13.062 ( 5.114 1.589 -7.179) 8.956 14.365 ( 9.007 11.782 2.764) 15.086 14.466 ( -14.143 -7.786 10.364) 19.185 15.537 ( -6.184 10.488 -3.495) 12.667 16.180 ( -8.904 -3.542 20.386) 22.526 16.989 ( 8.263 1.076 -11.513) 14.212 17.316 ( 18.022 -9.034 -0.146) 20.160 18.483 ( -13.232 4.927 -5.585) 15.184 18.530 ( 7.141 -8.484 7.296) 13.275 19.972 ( -1.436 2.019 -4.023) 4.725 20.131 ( -1.785 0.781 -0.685) 2.065 20.652 ( 0.624 -0.136 -1.631) 1.752 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -9.205 12.193 0.398) 15.283 3.414 ( 3.910 -0.882 3.107) 5.071 3.696 ( -1.529 0.572 2.596) 3.067 3.957 ( 3.977 7.062 8.015) 11.398 4.313 ( -5.511 -3.061 -15.984) 17.183 5.090 ( 0.587 -18.315 -2.335) 18.473 5.183 ( 4.233 -6.036 3.670) 8.236 5.726 ( 1.108 3.593 -1.279) 3.972 6.269 ( 14.621 -4.306 -0.643) 15.256 7.095 ( -16.558 14.100 8.349) 23.295 8.686 ( 5.733 -2.600 1.642) 6.506 9.257 ( -7.543 5.885 1.171) 9.638 9.857 ( 1.682 -10.633 -0.933) 10.806 10.542 ( 3.932 3.197 2.889) 5.834 10.776 ( 0.202 -3.775 -5.472) 6.651 10.995 ( 2.534 2.451 1.140) 3.705 11.240 ( 5.806 -7.615 -2.249) 9.836 12.023 ( -10.671 2.506 -1.810) 11.110 13.222 ( 13.792 3.724 -6.762) 15.806 14.073 ( -25.739 -1.899 6.633) 26.648 14.683 ( 11.429 2.711 2.977) 12.118 15.600 ( 1.930 13.739 -5.568) 14.950 16.140 ( -6.975 -0.330 19.353) 20.574 17.043 ( 6.589 0.913 -15.462) 16.832 17.490 ( 14.091 -11.978 -3.022) 18.739 18.144 ( -11.267 -5.117 -11.448) 16.858 18.718 ( 1.737 0.669 19.150) 19.240 19.955 ( -0.485 2.587 -3.699) 4.540 20.114 ( -1.273 1.086 1.069) 1.985 20.635 ( -0.314 -1.168 -2.047) 2.378 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -6.969 10.551 -2.818) 12.955 3.470 ( 4.676 -6.082 -0.921) 7.727 3.684 ( -3.599 1.564 4.186) 5.738 4.040 ( -3.235 -5.183 -8.996) 10.875 4.237 ( 4.592 12.719 0.948) 13.556 4.934 ( 2.765 -17.627 -1.270) 17.888 5.188 ( 2.276 -9.911 6.520) 12.079 5.832 ( 3.322 7.300 1.014) 8.084 6.425 ( 8.278 -3.431 -3.303) 9.551 7.014 ( -12.406 13.963 7.278) 20.046 8.763 ( 5.323 -4.208 1.248) 6.899 9.122 ( -12.701 1.130 0.984) 12.789 9.771 ( 2.053 -10.039 0.173) 10.248 10.624 ( 0.478 0.458 -1.093) 1.277 10.767 ( 3.195 2.934 -3.681) 5.689 11.052 ( 3.153 -1.038 -3.992) 5.192 11.264 ( 6.755 -4.184 -3.211) 8.570 11.902 ( -7.722 3.396 6.277) 10.515 13.465 ( 16.305 -0.529 -3.693) 16.726 13.684 ( -23.810 2.259 4.435) 24.325 14.826 ( 5.818 -3.454 -1.712) 6.979 15.741 ( 2.311 11.827 -6.636) 13.757 16.213 ( -0.402 7.346 17.097) 18.613 17.043 ( 4.990 -1.727 -15.497) 16.372 17.395 ( -6.794 -13.330 -12.089) 19.235 17.994 ( 6.402 -4.704 -5.106) 9.444 18.823 ( -4.475 1.629 20.327) 20.878 19.962 ( 0.253 2.831 -1.868) 3.401 20.124 ( -0.364 1.496 2.318) 2.783 20.606 ( 0.048 -1.384 -1.619) 2.131 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 0.089 11.026 -3.829) 11.672 3.440 ( 3.516 -10.605 -4.939) 12.215 3.648 ( -3.784 -1.422 3.449) 5.314 3.901 ( -2.261 1.773 -9.707) 10.124 4.424 ( 2.446 5.028 2.264) 6.032 4.834 ( 4.012 -13.177 0.126) 13.775 5.183 ( 3.119 -8.250 9.355) 12.857 5.921 ( -0.815 2.869 1.735) 3.450 6.385 ( -9.384 1.290 -2.499) 9.796 7.124 ( 5.836 13.663 3.434) 15.248 8.772 ( 4.408 -12.765 0.092) 13.505 8.900 ( -13.279 -0.489 0.855) 13.315 9.776 ( 6.337 -3.685 0.911) 7.387 10.605 ( -1.954 2.277 -4.706) 5.581 10.790 ( -1.216 0.534 -0.758) 1.529 11.024 ( 0.380 -3.952 -5.285) 6.610 11.337 ( 4.402 2.843 -7.186) 8.894 11.936 ( 1.855 1.962 14.092) 14.349 13.379 ( -18.332 3.348 5.269) 19.366 13.711 ( 16.505 -3.996 -2.019) 17.102 14.813 ( 0.300 -2.612 -7.442) 7.893 15.795 ( -1.314 4.309 -1.726) 4.824 16.460 ( 7.793 12.195 7.662) 16.375 16.887 ( -9.781 -17.019 -16.422) 25.593 17.077 ( -4.793 1.412 -10.582) 11.702 18.096 ( 13.116 -6.092 -5.713) 15.549 18.859 ( -8.547 4.169 20.387) 22.496 19.993 ( 0.400 2.821 0.895) 2.987 20.153 ( 0.162 1.646 2.364) 2.885 20.600 ( 1.397 -0.712 -0.949) 1.833 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 0.748 -1.121 -11.665) 11.743 3.367 ( 4.879 -3.922 -0.826) 6.314 3.595 ( -1.121 -1.643 1.984) 2.809 3.879 ( 1.209 2.796 -5.205) 6.031 4.428 ( -1.129 -2.468 -1.009) 2.895 4.811 ( 2.340 -6.271 1.589) 6.879 5.255 ( 3.096 -2.109 10.908) 11.533 5.876 ( -4.963 -2.546 0.174) 5.580 6.174 ( -15.669 3.869 -0.621) 16.151 7.449 ( 15.203 10.300 1.594) 18.432 8.638 ( -4.562 -8.088 -3.448) 9.905 8.757 ( -1.099 -8.386 3.085) 9.002 9.899 ( 9.000 -0.992 1.465) 9.172 10.523 ( -5.593 -0.758 -3.029) 6.405 10.763 ( -3.840 4.960 -4.722) 7.851 10.962 ( -0.060 -1.975 -1.995) 2.808 11.337 ( -2.526 3.417 -7.252) 8.405 12.148 ( 9.990 -0.142 15.666) 18.580 13.190 ( -12.190 3.977 4.111) 13.466 13.910 ( 13.993 -6.946 0.106) 15.622 14.723 ( -3.238 1.293 -9.807) 10.409 15.791 ( 0.450 -3.916 2.673) 4.763 16.358 ( -17.035 -9.719 -23.324) 30.474 16.769 ( 10.926 4.151 7.545) 13.912 16.999 ( -2.796 2.155 -7.536) 8.322 18.192 ( 8.552 -5.764 -7.084) 12.512 18.896 ( -6.545 7.426 18.665) 21.127 20.037 ( 0.220 2.638 2.910) 3.934 20.184 ( 0.213 1.600 1.586) 2.263 20.624 ( 1.980 0.246 -0.713) 2.119 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 -0.000 17.694) 17.694 1.503 ( 0.000 -0.000 17.694) 17.694 3.725 ( -0.000 0.000 -1.564) 1.564 4.287 ( 0.000 -0.000 46.689) 46.689 4.293 ( -0.000 0.000 -14.294) 14.294 4.293 ( -0.000 0.000 -14.294) 14.294 5.779 ( -0.000 0.000 -6.214) 6.214 6.692 ( 0.000 -0.000 8.182) 8.182 6.692 ( 0.000 -0.000 8.182) 8.182 7.306 ( -0.000 0.000 -16.111) 16.111 8.713 ( 0.000 -0.000 3.357) 3.357 8.713 ( 0.000 -0.000 3.357) 3.357 10.207 ( 0.000 -0.000 3.211) 3.211 10.207 ( 0.000 -0.000 3.211) 3.211 10.474 ( 0.000 -0.000 0.844) 0.844 10.474 ( 0.000 -0.000 0.844) 0.844 12.406 ( -0.000 0.000 -3.523) 3.523 12.671 ( -0.000 0.000 -1.205) 1.205 13.070 ( 0.000 -0.000 5.987) 5.987 13.070 ( 0.000 -0.000 5.987) 5.987 13.875 ( -0.000 0.000 -8.969) 8.969 13.875 ( -0.000 0.000 -8.969) 8.969 17.067 ( 0.000 -0.000 12.890) 12.890 17.067 ( 0.000 -0.000 12.890) 12.890 17.214 ( -0.000 0.000 -0.138) 0.138 18.595 ( 0.000 -0.000 0.566) 0.566 19.868 ( -0.000 0.000 -6.929) 6.929 19.868 ( -0.000 0.000 -6.929) 6.929 20.076 ( -0.000 0.000 -1.706) 1.706 20.510 ( 0.000 -0.000 2.498) 2.498 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 5.913 9.340 16.608) 19.951 2.136 ( 36.281 17.530 10.507) 41.642 3.658 ( -5.239 -1.544 -0.510) 5.486 4.031 ( -8.985 -3.721 -3.538) 10.349 4.337 ( 7.608 -1.916 -12.848) 15.054 4.652 ( 6.638 4.271 31.746) 32.712 5.706 ( -3.931 -0.488 -3.940) 5.587 6.590 ( -5.897 -8.704 8.264) 13.373 6.725 ( -8.157 -3.833 -1.889) 9.209 7.062 ( -10.499 -1.437 -5.788) 12.074 8.680 ( -0.882 1.262 4.429) 4.688 8.848 ( 5.405 2.700 0.394) 6.055 10.127 ( -2.646 -0.891 5.497) 6.165 10.418 ( 5.177 -1.815 0.408) 5.501 10.491 ( -0.343 1.036 0.467) 1.187 10.575 ( 14.606 9.834 -0.972) 17.635 12.160 ( -16.780 -8.853 -2.291) 19.110 12.500 ( -9.470 -8.282 -1.047) 12.625 13.134 ( 10.400 -2.410 5.874) 12.184 13.375 ( 8.197 7.565 1.596) 11.268 13.733 ( -2.760 17.403 -4.273) 18.131 14.205 ( 27.513 4.337 -10.681) 29.831 16.799 ( -20.731 -5.976 5.231) 22.200 17.083 ( 0.156 -6.426 11.597) 13.259 17.536 ( 13.926 8.217 6.586) 17.460 18.526 ( -6.566 -4.333 0.396) 7.877 19.641 ( -16.453 -1.246 -4.760) 17.173 19.854 ( 4.353 -4.217 -6.176) 8.653 20.092 ( 1.228 1.128 -2.635) 3.118 20.572 ( 3.482 1.212 1.226) 3.886 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 14.493 13.732 13.226) 23.949 2.972 ( 32.272 18.556 6.058) 37.716 3.569 ( -3.730 0.237 2.547) 4.523 3.861 ( -5.313 -4.264 -1.782) 7.042 4.347 ( 5.285 -2.684 -12.795) 14.101 4.964 ( 9.243 0.615 20.438) 22.439 5.615 ( -6.060 0.710 2.335) 6.533 6.340 ( -14.581 -17.596 -6.270) 23.697 6.442 ( -9.716 -2.560 2.756) 10.419 6.968 ( -6.049 4.749 2.571) 8.108 8.746 ( 2.422 3.001 4.763) 6.129 8.926 ( 2.287 1.791 -2.943) 4.135 10.145 ( -0.333 0.024 5.003) 5.014 10.452 ( -5.208 5.880 1.029) 7.922 10.498 ( 7.816 -7.409 4.030) 11.498 10.930 ( 14.627 8.817 -4.958) 17.784 11.758 ( -17.111 -10.107 -1.710) 19.946 12.262 ( -6.991 -8.699 -2.957) 11.545 13.349 ( 15.080 -6.585 6.121) 17.556 13.396 ( -5.262 8.296 -8.053) 12.703 14.116 ( 11.936 30.159 7.645) 33.325 14.671 ( 29.991 1.880 -9.487) 31.512 16.419 ( -19.442 -5.686 2.612) 20.424 17.088 ( -1.090 -4.903 10.568) 11.701 17.838 ( 10.217 3.586 6.125) 12.440 18.285 ( -14.417 -10.002 1.172) 17.586 19.319 ( -16.162 0.389 -5.868) 17.199 19.864 ( 4.482 -2.419 -4.781) 6.986 20.103 ( 1.014 0.964 -2.640) 2.987 20.628 ( 1.951 -0.454 0.396) 2.042 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 16.008 12.594 10.380) 22.861 3.453 ( 3.629 7.993 2.083) 9.022 3.674 ( 7.813 5.351 14.492) 17.312 3.746 ( -0.883 -3.017 -6.248) 6.994 4.316 ( 5.332 -5.371 -10.924) 13.290 5.199 ( 6.105 1.469 0.742) 6.323 5.575 ( -1.326 0.265 12.036) 12.111 5.890 ( -13.248 -17.355 -7.017) 22.933 6.317 ( -7.024 6.280 -0.986) 9.473 6.931 ( -3.444 0.683 3.413) 4.897 8.850 ( 0.826 5.734 3.778) 6.916 8.940 ( 2.705 -1.585 -4.197) 5.239 10.093 ( -6.673 -3.391 -0.067) 7.485 10.456 ( -1.885 5.255 5.076) 7.545 10.628 ( 9.290 -3.935 6.213) 11.849 11.121 ( 3.938 3.388 -3.627) 6.336 11.418 ( -11.744 -7.120 -0.184) 13.735 12.081 ( -1.467 -7.258 -6.906) 10.125 13.352 ( -7.847 16.412 -8.316) 20.002 13.563 ( 16.838 -13.460 6.408) 22.489 14.654 ( 9.431 25.585 9.507) 28.877 15.086 ( 23.265 0.747 -4.033) 23.623 16.142 ( -7.867 -0.696 0.068) 7.898 17.077 ( -2.629 -3.718 9.824) 10.828 17.804 ( -21.093 -8.747 -2.379) 22.958 18.086 ( 5.779 -7.277 10.306) 13.877 19.067 ( -10.499 4.247 -10.564) 15.488 19.897 ( 3.996 -0.634 -3.153) 5.130 20.116 ( 1.242 0.949 -2.395) 2.860 20.636 ( 0.153 -1.583 0.330) 1.624 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 13.081 8.913 7.710) 17.607 3.526 ( -0.961 0.583 4.127) 4.278 3.681 ( -0.285 1.290 -6.722) 6.851 3.839 ( -3.649 1.756 14.767) 15.312 4.339 ( 9.766 -4.141 -8.140) 13.370 5.106 ( -10.492 -6.778 -0.360) 12.496 5.468 ( -11.867 -10.158 -8.221) 17.652 5.788 ( 11.033 0.981 3.585) 11.643 6.327 ( -3.250 13.526 -1.493) 13.991 6.940 ( 4.970 -1.746 2.203) 5.710 8.893 ( -3.914 8.351 -2.659) 9.599 8.940 ( 0.813 -5.985 0.852) 6.100 9.908 ( -7.492 -5.656 -1.180) 9.461 10.526 ( 0.609 3.774 5.412) 6.626 10.758 ( 4.015 -1.563 4.666) 6.351 11.101 ( -3.458 -3.853 1.005) 5.274 11.273 ( -2.309 0.222 3.943) 4.575 11.987 ( 3.097 -4.474 -11.757) 12.955 13.350 ( -7.221 18.534 -6.742) 21.003 13.706 ( 12.366 -15.983 4.977) 20.812 14.860 ( -4.747 2.312 5.873) 7.898 15.496 ( 17.610 12.025 3.534) 21.615 16.204 ( 11.092 5.198 -0.691) 12.269 17.053 ( -3.166 -2.499 9.446) 10.271 17.294 ( -26.185 -8.437 1.818) 27.571 18.146 ( 3.946 -12.161 8.873) 15.562 18.921 ( -4.648 8.293 -16.352) 18.915 19.943 ( 3.308 0.501 -1.787) 3.793 20.134 ( 1.464 0.881 -2.236) 2.814 20.617 ( -0.525 -1.790 0.605) 1.961 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 19.048 22.921 11.664) 32.004 2.012 ( -17.350 27.800 10.232) 34.330 3.655 ( 1.044 -4.909 -0.564) 5.050 4.033 ( 1.349 -4.355 -6.134) 7.643 4.232 ( -3.719 3.205 -9.790) 10.952 4.845 ( -0.901 3.936 30.247) 30.516 5.687 ( 1.381 -2.367 -2.643) 3.807 6.573 ( -1.972 -16.250 2.845) 16.614 6.765 ( -2.750 -7.184 0.030) 7.693 7.034 ( 5.023 -3.299 -5.956) 8.461 8.690 ( 0.971 -2.196 5.057) 5.598 8.848 ( -0.098 5.023 0.211) 5.028 10.257 ( 3.460 3.379 3.625) 6.044 10.353 ( -7.903 4.556 -0.971) 9.174 10.479 ( 3.875 4.038 1.261) 5.737 10.562 ( -0.543 7.413 0.299) 7.439 12.139 ( 0.421 -19.442 -1.638) 19.515 12.496 ( -0.895 -13.019 -0.643) 13.066 13.090 ( -9.016 -0.237 4.352) 10.014 13.525 ( 4.478 22.912 10.427) 25.569 13.695 ( 15.991 6.933 -12.767) 21.605 14.114 ( -11.081 24.279 -9.571) 28.352 16.775 ( 2.733 -23.731 5.351) 24.479 17.256 ( -3.392 1.974 8.579) 9.434 17.511 ( 0.377 12.728 6.386) 14.246 18.535 ( -0.462 -6.594 0.128) 6.611 19.617 ( 6.642 -15.265 -3.533) 17.018 19.812 ( -5.476 1.629 -5.667) 8.046 20.074 ( 0.283 0.965 -2.138) 2.362 20.580 ( -0.512 3.528 0.879) 3.672 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -0.555 24.101 7.222) 25.166 2.678 ( 29.148 28.365 4.862) 40.961 3.603 ( -1.438 -3.742 0.057) 4.009 3.946 ( -5.983 -0.239 1.098) 6.087 4.190 ( 3.073 0.050 -9.920) 10.385 5.002 ( 0.645 -2.037 19.832) 19.947 5.688 ( -0.457 1.068 1.916) 2.241 6.303 ( -7.996 -22.072 -2.517) 23.611 6.553 ( -7.762 -9.054 0.399) 11.933 7.064 ( -0.662 2.077 -2.141) 3.055 8.738 ( 2.760 -0.320 4.673) 5.436 8.909 ( 1.655 4.389 -2.519) 5.324 10.258 ( -5.264 1.926 4.442) 7.152 10.335 ( 4.031 -2.607 0.843) 4.874 10.603 ( -4.235 9.235 0.881) 10.198 10.746 ( 14.567 8.960 -1.873) 17.204 11.851 ( -9.580 -17.970 -1.101) 20.394 12.288 ( -8.042 -10.855 -0.619) 13.524 13.043 ( 6.403 -8.294 4.418) 11.371 13.770 ( -12.424 29.183 -3.590) 31.920 14.119 ( 29.490 8.802 -6.388) 31.432 14.293 ( 7.937 26.764 -0.430) 27.920 16.535 ( -7.478 -19.488 1.148) 20.905 17.208 ( -7.056 1.046 9.048) 11.522 17.747 ( 8.806 5.374 5.972) 11.920 18.382 ( -8.306 -10.333 0.155) 13.259 19.446 ( -6.552 -12.460 -6.645) 15.568 19.764 ( 1.316 1.249 -1.507) 2.359 20.081 ( 0.858 0.798 -2.107) 2.411 20.615 ( 0.621 1.474 0.733) 1.759 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 8.206 20.694 6.432) 23.172 3.368 ( 23.039 17.939 -4.298) 29.514 3.557 ( -0.479 -2.365 0.629) 2.494 3.873 ( -5.962 1.442 9.850) 11.604 4.184 ( 1.807 -0.570 -7.823) 8.049 5.112 ( 5.719 -0.557 7.027) 9.077 5.677 ( -4.811 -2.139 7.037) 8.789 5.902 ( -12.034 -18.947 -4.452) 22.883 6.406 ( -1.869 -3.908 0.469) 4.357 7.012 ( -4.707 1.053 -3.129) 5.749 8.813 ( 3.683 -1.859 2.216) 4.683 8.954 ( 0.474 6.895 -2.994) 7.532 10.179 ( -5.947 -4.136 1.856) 7.478 10.446 ( 9.493 -1.418 3.097) 10.085 10.620 ( -5.523 9.172 3.070) 11.138 11.005 ( 9.401 2.755 -2.694) 10.160 11.532 ( -9.996 -10.628 0.292) 14.593 12.059 ( -7.088 -7.006 -2.148) 10.194 13.165 ( 14.414 -11.335 6.355) 19.407 13.758 ( -15.257 27.280 -7.944) 32.251 14.595 ( 24.820 3.368 -9.792) 26.893 14.816 ( 15.512 27.201 11.142) 33.237 16.230 ( -8.759 -9.827 -3.265) 13.563 17.159 ( -4.497 -3.058 8.468) 10.064 17.938 ( 6.811 -0.779 5.462) 8.765 18.067 ( -16.246 -12.494 2.055) 20.598 19.166 ( -8.316 -6.145 -10.399) 14.665 19.818 ( 3.576 0.838 0.343) 3.689 20.092 ( 0.975 0.910 -1.900) 2.321 20.631 ( -0.056 -0.244 1.011) 1.042 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 8.965 16.136 5.781) 19.343 3.536 ( 1.086 -4.594 -0.266) 4.728 3.655 ( 2.837 8.075 -8.132) 11.806 3.977 ( 5.968 3.855 13.628) 15.369 4.130 ( -1.487 -2.728 -3.386) 4.595 5.191 ( -3.767 -1.527 -1.092) 4.209 5.471 ( -9.106 -16.284 -5.447) 19.436 5.686 ( 2.435 -1.016 6.432) 6.952 6.413 ( 2.447 0.998 0.294) 2.658 6.930 ( -3.020 3.601 -4.677) 6.631 8.821 ( 1.944 -5.118 -2.405) 5.980 9.047 ( 0.169 10.893 0.343) 10.900 9.997 ( -9.636 -6.601 -0.171) 11.681 10.606 ( 5.443 -1.074 -0.322) 5.558 10.649 ( 0.742 4.435 7.139) 8.437 11.065 ( 1.986 -5.432 0.480) 5.804 11.350 ( -5.189 -3.945 2.216) 6.885 11.918 ( -3.047 0.621 -4.857) 5.767 13.348 ( 14.872 -12.119 7.847) 20.727 13.713 ( -13.608 23.813 -8.317) 28.660 14.848 ( 8.433 -3.305 -3.605) 9.749 15.360 ( 16.572 14.299 9.402) 23.822 16.114 ( 2.532 6.684 -8.260) 10.923 17.087 ( -3.109 -8.726 7.659) 12.020 17.674 ( -20.014 -7.948 7.380) 22.763 18.019 ( 3.088 -6.340 5.439) 8.906 18.950 ( -4.550 -0.019 -15.467) 16.122 19.891 ( 3.332 1.106 1.360) 3.765 20.107 ( 1.091 1.010 -1.902) 2.414 20.623 ( -0.925 -0.787 1.385) 1.842 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -0.267 22.090 11.530) 24.919 2.714 ( -25.731 26.796 3.453) 37.310 3.577 ( 1.715 -3.854 1.815) 4.592 3.925 ( 4.631 -2.692 0.276) 5.364 4.285 ( -4.297 5.929 -13.623) 15.466 5.067 ( -3.059 2.210 17.858) 18.253 5.624 ( 2.246 -3.145 4.420) 5.871 6.350 ( 5.615 -18.929 -6.559) 20.805 6.639 ( 10.196 -7.542 -1.408) 12.760 6.909 ( 1.767 -3.772 4.495) 6.128 8.722 ( -2.280 -0.562 6.077) 6.515 8.898 ( -1.394 3.512 -2.443) 4.500 10.257 ( 3.534 6.145 4.470) 8.380 10.355 ( 1.315 -5.651 -0.320) 5.810 10.621 ( -3.706 5.229 1.252) 6.530 10.746 ( -11.048 13.592 -2.950) 17.763 11.852 ( 9.626 -16.690 -1.391) 19.317 12.319 ( 3.957 -12.206 -1.810) 12.958 13.258 ( 6.372 4.715 -4.650) 9.190 13.584 ( -21.083 -0.758 1.577) 21.155 13.780 ( 4.621 24.729 8.509) 26.558 14.581 ( -17.879 28.854 -10.330) 35.482 16.468 ( 9.440 -22.134 4.932) 24.563 17.255 ( 5.942 1.482 5.404) 8.168 17.785 ( -10.245 9.272 5.218) 14.770 18.402 ( 7.358 -9.646 -0.368) 12.137 19.296 ( 9.583 -17.876 -0.114) 20.282 19.854 ( -1.837 2.740 -5.699) 6.584 20.074 ( -0.807 0.467 -1.718) 1.955 20.633 ( -1.253 2.499 -0.375) 2.821 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 3.143 20.926 -4.047) 21.544 2.798 ( -1.173 34.015 10.662) 35.666 3.571 ( 0.732 -3.411 1.513) 3.802 3.986 ( 3.533 0.251 3.448) 4.943 4.166 ( -5.693 3.697 -12.269) 14.021 5.101 ( -2.657 -2.932 11.902) 12.543 5.696 ( 3.167 0.724 6.826) 7.559 6.151 ( -1.631 -21.213 -4.856) 21.822 6.537 ( -4.185 -14.112 -0.212) 14.721 7.011 ( 6.060 0.249 -0.690) 6.104 8.740 ( 0.098 0.086 6.251) 6.252 8.914 ( 0.676 4.114 -3.163) 5.234 10.229 ( -1.298 -6.513 1.119) 6.735 10.468 ( -5.858 5.215 0.018) 7.843 10.601 ( 10.018 7.713 -1.280) 12.708 10.801 ( -4.270 14.385 1.844) 15.118 11.739 ( -0.588 -18.971 -0.704) 18.993 12.218 ( 1.568 -14.198 -0.404) 14.290 13.133 ( -17.706 0.014 4.551) 18.282 13.673 ( 24.572 7.146 -9.330) 27.238 14.205 ( 0.706 30.671 6.555) 31.372 14.547 ( -9.082 30.169 -7.608) 32.412 16.375 ( 2.286 -22.285 3.961) 22.749 17.321 ( -0.749 -1.062 0.374) 1.352 17.786 ( -2.803 6.136 7.274) 9.921 18.354 ( -0.093 -10.514 -1.286) 10.593 19.245 ( 4.893 -19.151 -1.279) 19.808 19.810 ( -2.683 3.294 -2.643) 5.004 20.068 ( 0.287 0.758 -1.033) 1.313 20.635 ( -0.601 1.488 -0.130) 1.610 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 5.888 20.143 -5.801) 21.773 3.234 ( 9.404 18.992 2.439) 21.333 3.578 ( 0.713 1.377 3.880) 4.178 4.021 ( -6.243 1.699 -4.953) 8.148 4.118 ( 5.532 4.003 2.574) 7.298 5.105 ( -0.197 -1.189 7.692) 7.786 5.774 ( -2.785 1.687 3.421) 4.722 5.853 ( -6.106 -20.585 0.850) 21.489 6.332 ( -1.430 -13.176 -1.308) 13.317 7.047 ( -0.296 1.141 -4.937) 5.076 8.777 ( 0.254 -1.350 3.303) 3.577 8.969 ( 3.117 5.963 -2.828) 7.299 10.157 ( 0.377 -9.869 2.240) 10.128 10.421 ( -2.707 5.395 -1.562) 6.235 10.833 ( 2.081 9.496 -2.858) 10.133 10.877 ( 1.387 6.673 4.144) 7.976 11.524 ( -3.848 -14.166 -0.109) 14.680 12.093 ( -3.114 -8.973 1.770) 9.662 12.990 ( -0.824 -3.025 5.204) 6.075 14.108 ( 22.764 4.103 -7.505) 24.318 14.304 ( -14.380 31.263 -9.835) 35.789 14.908 ( 11.709 25.283 7.902) 28.962 16.198 ( -2.460 -13.045 -0.318) 13.278 17.245 ( -5.156 -3.264 -0.225) 6.106 17.831 ( 2.282 -9.672 6.669) 11.968 18.217 ( -7.033 -1.898 1.006) 7.354 19.074 ( -0.952 -15.693 -7.156) 17.274 19.818 ( 0.036 3.348 1.593) 3.708 20.081 ( 0.595 1.073 -0.626) 1.378 20.639 ( -0.113 0.171 0.757) 0.785 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 10.262 18.310 -2.220) 21.107 3.408 ( 4.348 0.304 -4.628) 6.357 3.673 ( 1.558 5.586 1.094) 5.901 3.924 ( -0.032 -0.471 -6.891) 6.907 4.261 ( -1.576 4.630 13.211) 14.087 5.179 ( 3.436 1.290 2.062) 4.209 5.481 ( -12.645 -14.141 -3.387) 19.270 5.734 ( -5.847 -4.654 7.651) 10.696 6.278 ( 7.154 -8.645 -1.632) 11.339 7.006 ( -2.566 7.039 -7.573) 10.653 8.748 ( -0.452 -4.388 -1.158) 4.560 9.106 ( 4.682 9.329 -0.454) 10.448 10.046 ( -4.019 -10.306 1.785) 11.205 10.467 ( 4.210 2.713 -2.425) 5.565 10.842 ( -8.397 6.459 3.909) 11.291 10.958 ( 4.740 -3.404 -1.498) 6.025 11.368 ( -2.893 -8.357 0.958) 8.895 12.003 ( -4.208 2.065 2.604) 5.362 13.073 ( 10.266 -6.889 7.253) 14.334 14.167 ( -16.113 23.054 -7.702) 29.163 14.535 ( 18.692 1.850 -8.825) 20.753 15.322 ( 9.646 9.758 8.604) 16.195 16.124 ( 0.456 8.380 -7.372) 11.170 17.097 ( -4.924 -9.822 3.202) 11.444 17.706 ( -1.230 -21.809 4.150) 22.234 18.154 ( -8.425 9.181 7.203) 14.393 18.867 ( -1.308 -9.095 -13.112) 16.011 19.880 ( 1.766 2.459 3.357) 4.521 20.098 ( 0.461 1.357 -0.609) 1.557 20.641 ( -0.457 -0.375 1.617) 1.721 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -9.827 19.577 10.988) 24.506 3.272 ( -14.491 8.816 -0.988) 16.990 3.614 ( -6.490 3.462 2.269) 7.698 3.840 ( 4.619 -1.631 6.748) 8.339 4.319 ( -1.998 7.786 -13.733) 15.912 5.174 ( -2.052 0.927 -0.041) 2.252 5.622 ( 0.694 -5.572 12.538) 13.738 6.027 ( 7.141 -11.042 -10.391) 16.760 6.328 ( 14.602 -8.066 -0.678) 16.696 6.928 ( -2.276 -2.739 7.750) 8.529 8.781 ( -1.451 -2.640 3.067) 4.299 8.957 ( -2.627 6.376 -1.679) 7.097 10.183 ( 8.764 -2.228 -0.587) 9.062 10.371 ( -5.244 -1.284 3.755) 6.576 10.753 ( -1.664 8.607 5.349) 10.269 10.972 ( -8.246 2.486 -5.703) 10.330 11.535 ( 10.748 -9.809 -1.442) 14.623 12.148 ( 3.488 -5.827 -4.017) 7.891 13.115 ( 3.179 -1.729 -8.457) 9.199 13.954 ( 7.848 26.674 8.533) 29.085 14.137 ( -34.272 -2.870 8.767) 35.492 15.060 ( -12.905 24.215 -8.202) 28.639 16.161 ( 6.822 -13.534 3.935) 15.659 17.192 ( 5.050 -1.875 4.759) 7.188 17.928 ( 9.221 -3.137 -3.462) 10.337 18.196 ( -0.721 -2.869 4.356) 5.265 18.991 ( 8.056 -14.533 0.773) 16.635 19.877 ( -1.674 2.744 -4.580) 5.596 20.088 ( -1.218 0.567 -1.307) 1.874 20.655 ( 0.096 0.920 -0.964) 1.336 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -4.663 20.879 -0.821) 21.409 3.235 ( -7.039 20.596 7.524) 23.029 3.564 ( -2.376 -0.008 0.942) 2.556 3.934 ( 4.200 -0.423 4.604) 6.246 4.230 ( -5.433 4.349 -13.426) 15.122 5.156 ( -1.021 0.230 1.396) 1.744 5.663 ( 4.444 -8.274 10.427) 14.033 5.922 ( 2.673 -14.055 -7.759) 16.276 6.433 ( 3.651 -6.693 -1.907) 7.859 6.926 ( 1.771 -3.293 5.912) 6.995 8.786 ( 0.564 -0.235 4.892) 4.930 8.951 ( -3.309 5.444 -2.327) 6.782 10.196 ( -0.960 -9.064 0.164) 9.116 10.455 ( 8.748 8.456 1.470) 12.255 10.679 ( -9.902 2.041 -2.728) 10.472 10.978 ( 0.493 10.011 0.076) 10.023 11.544 ( 3.826 -12.667 -1.126) 13.280 12.051 ( 0.343 -11.895 -1.072) 11.948 13.302 ( 17.243 7.980 -8.598) 20.855 13.621 ( -29.212 -0.552 6.946) 30.031 14.418 ( 9.596 26.117 9.411) 29.372 15.017 ( -15.082 27.873 -10.648) 33.433 16.141 ( 4.425 -16.247 6.229) 17.954 17.253 ( 4.167 -3.505 -2.049) 5.817 17.976 ( -7.868 4.662 0.977) 9.197 18.134 ( 9.700 -14.851 -3.992) 18.182 19.001 ( 5.016 -15.131 7.095) 17.448 19.854 ( -1.153 3.281 -3.558) 4.975 20.075 ( -0.507 0.779 -0.018) 0.930 20.649 ( -0.428 0.262 -1.126) 1.233 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -0.212 18.306 -9.906) 20.816 3.410 ( -4.567 13.975 6.754) 16.180 3.587 ( 3.694 2.053 4.821) 6.411 4.012 ( 0.346 4.153 -14.452) 15.041 4.136 ( 1.682 1.295 6.753) 7.078 5.160 ( -1.401 0.890 4.314) 4.622 5.717 ( 3.500 -19.398 10.079) 22.139 5.785 ( 2.141 -0.076 -8.617) 8.879 6.299 ( -9.233 -6.958 1.023) 11.606 6.979 ( 4.692 -1.926 -1.839) 5.395 8.826 ( -2.297 0.790 5.766) 6.257 8.944 ( 1.679 3.551 -3.937) 5.561 10.084 ( -1.387 -9.535 1.150) 9.704 10.528 ( -5.800 2.938 -2.740) 7.056 10.717 ( 9.522 6.528 -3.382) 12.030 11.072 ( -2.144 8.781 1.762) 9.209 11.425 ( -1.403 -11.972 -0.837) 12.083 11.986 ( 4.145 -9.942 3.464) 11.315 13.218 ( -20.293 2.185 6.077) 21.296 13.699 ( 23.045 6.176 -8.231) 25.238 14.764 ( -5.865 19.577 -0.645) 20.447 15.056 ( -1.089 27.641 -2.770) 27.801 16.094 ( 2.001 -8.711 4.607) 10.055 17.233 ( 0.336 -3.643 -6.604) 7.550 17.769 ( -6.840 -17.368 1.607) 18.735 18.216 ( 7.717 1.248 -3.363) 8.510 18.919 ( -2.092 -14.117 5.207) 15.191 19.865 ( -0.288 3.624 0.167) 3.640 20.086 ( 0.227 1.217 0.829) 1.490 20.640 ( 0.115 -0.462 -0.254) 0.540 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 9.108 16.902 -9.832) 21.571 3.432 ( -3.724 5.164 0.347) 6.376 3.689 ( 2.111 -0.740 5.034) 5.508 3.884 ( -2.840 -0.151 -14.240) 14.521 4.350 ( 5.836 5.528 11.572) 14.089 5.165 ( -0.046 -3.005 3.043) 4.277 5.525 ( -7.089 -11.712 1.763) 13.803 5.855 ( -0.741 -1.146 4.943) 5.128 6.098 ( -3.337 -4.645 -2.106) 6.095 7.018 ( 2.998 4.314 -6.860) 8.641 8.758 ( -5.494 -2.254 0.082) 5.939 9.061 ( 7.786 3.683 0.160) 8.615 9.986 ( -0.622 -9.519 1.944) 9.735 10.482 ( -1.753 4.681 -4.224) 6.544 10.835 ( 3.822 -2.431 -2.720) 5.283 11.058 ( -7.284 5.242 -0.841) 9.014 11.311 ( -0.335 -8.099 0.235) 8.109 12.045 ( 4.793 -1.321 8.329) 9.700 13.044 ( -6.823 0.879 6.587) 9.524 14.081 ( 22.139 1.649 -6.177) 23.044 14.675 ( -16.240 16.186 -10.608) 25.264 15.334 ( 4.823 12.430 4.529) 14.082 16.152 ( 3.181 10.252 -3.087) 11.169 17.096 ( -5.628 -8.140 -4.489) 10.867 17.504 ( -0.221 -24.334 1.876) 24.407 18.345 ( 3.949 8.115 -1.830) 9.209 18.744 ( -6.176 -11.327 2.067) 13.066 19.911 ( 0.521 3.048 3.065) 4.353 20.109 ( 0.154 1.594 1.008) 1.892 20.643 ( 0.614 -0.756 0.911) 1.333 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.000 -0.000 10.807) 10.807 1.767 ( 0.000 -0.000 10.807) 10.807 3.703 ( -0.000 0.000 -0.851) 0.851 4.079 ( -0.000 0.000 -8.799) 8.799 4.079 ( -0.000 0.000 -8.799) 8.799 5.009 ( 0.000 -0.000 31.270) 31.270 5.692 ( -0.000 0.000 -2.972) 2.972 6.806 ( 0.000 -0.000 4.324) 4.324 6.806 ( 0.000 -0.000 4.324) 4.324 7.003 ( -0.000 0.000 -16.065) 16.065 8.769 ( 0.000 -0.000 2.549) 2.549 8.769 ( 0.000 -0.000 2.549) 2.549 10.253 ( 0.000 -0.000 1.859) 1.859 10.253 ( 0.000 -0.000 1.859) 1.859 10.481 ( 0.000 0.000 0.088) 0.088 10.481 ( 0.000 -0.000 0.088) 0.088 12.355 ( -0.000 0.000 -1.994) 1.994 12.653 ( -0.000 0.000 -0.724) 0.724 13.206 ( 0.000 -0.000 8.577) 8.577 13.206 ( 0.000 -0.000 8.577) 8.577 13.691 ( -0.000 0.000 -10.716) 10.716 13.691 ( -0.000 0.000 -10.716) 10.716 17.210 ( -0.000 0.000 -0.208) 0.208 17.265 ( 0.000 -0.000 8.257) 8.257 17.265 ( 0.000 -0.000 8.257) 8.257 18.604 ( 0.000 -0.000 0.403) 0.403 19.760 ( -0.000 0.000 -4.593) 4.593 19.760 ( -0.000 0.000 -4.593) 4.593 20.052 ( -0.000 0.000 -0.913) 0.913 20.546 ( 0.000 -0.000 1.368) 1.368 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 7.045 7.439 11.645) 15.510 2.249 ( 31.665 15.959 1.352) 35.485 3.652 ( -3.719 -1.427 -0.192) 3.988 3.971 ( -3.111 -1.477 -0.182) 3.448 4.117 ( 4.688 1.078 -10.181) 11.260 5.160 ( -0.529 -1.354 18.543) 18.600 5.676 ( -0.509 0.738 1.160) 1.466 6.609 ( -15.432 -8.208 -8.603) 19.482 6.714 ( -6.361 -8.293 4.885) 11.537 6.986 ( -0.084 4.201 -2.301) 4.790 8.764 ( 0.428 0.577 4.479) 4.536 8.835 ( 2.347 1.509 -1.931) 3.393 10.223 ( -1.248 0.103 4.853) 5.012 10.405 ( 6.647 1.769 -2.057) 7.180 10.493 ( 1.203 -0.767 -0.050) 1.427 10.565 ( 9.514 7.528 -0.213) 12.134 12.129 ( -16.416 -8.900 -1.102) 18.706 12.487 ( -10.564 -7.935 -0.338) 13.217 13.269 ( 7.506 -0.279 8.464) 11.316 13.336 ( -0.985 -1.065 -5.351) 5.544 13.740 ( 8.561 24.492 4.720) 26.371 13.998 ( 28.760 3.340 -11.368) 31.105 16.851 ( -19.732 -9.639 0.918) 21.979 17.265 ( -1.531 -2.616 7.766) 8.337 17.625 ( 14.143 7.959 2.442) 16.411 18.532 ( -6.563 -4.173 0.301) 7.784 19.577 ( -14.263 -3.874 -2.006) 14.915 19.763 ( 3.412 -1.545 -3.531) 5.147 20.057 ( 0.693 0.515 -1.191) 1.472 20.588 ( 2.553 1.199 0.554) 2.874 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 14.881 10.509 10.967) 21.264 2.961 ( 30.832 17.972 -6.221) 36.226 3.591 ( -1.214 -1.172 -0.346) 1.723 3.933 ( -3.000 -0.756 9.202) 9.708 4.136 ( 4.199 0.072 -9.755) 10.621 5.180 ( -1.490 -2.053 2.975) 3.909 5.720 ( 1.096 1.318 6.636) 6.854 6.170 ( -17.489 -11.752 -8.889) 22.869 6.509 ( -12.134 -5.558 3.024) 13.684 6.995 ( -0.983 0.541 0.966) 1.481 8.834 ( 1.172 3.242 3.164) 4.679 8.852 ( 2.681 -0.486 -3.559) 4.482 10.217 ( -3.653 -1.327 2.498) 4.620 10.465 ( -2.054 7.799 0.434) 8.076 10.563 ( 10.844 -6.672 2.950) 13.070 10.850 ( 12.341 9.748 -3.703) 16.157 11.738 ( -17.041 -9.344 -0.525) 19.442 12.224 ( -9.626 -9.320 -1.184) 13.451 13.244 ( -9.672 15.444 -7.520) 19.713 13.497 ( 18.884 -15.407 9.283) 26.080 14.246 ( 14.451 30.414 4.769) 34.009 14.512 ( 32.030 4.756 -5.967) 32.926 16.425 ( -18.575 -9.713 -1.486) 21.014 17.256 ( -2.350 -2.029 7.181) 7.823 17.877 ( 7.101 4.082 -1.970) 8.424 18.321 ( -10.847 -7.931 2.359) 13.643 19.247 ( -16.380 -6.282 -1.888) 17.644 19.802 ( 3.505 0.685 -1.729) 3.968 20.069 ( 0.930 0.557 -1.048) 1.508 20.632 ( 1.287 0.361 0.139) 1.344 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 2.704 13.712 -1.868) 14.100 2.183 ( -2.273 31.210 7.889) 32.272 3.650 ( 0.343 -3.905 -0.021) 3.920 3.996 ( 0.895 0.606 2.393) 2.626 4.049 ( -1.471 2.208 -8.161) 8.581 5.240 ( -0.527 -3.646 9.511) 10.199 5.688 ( 0.530 1.611 1.679) 2.386 6.542 ( 0.084 -19.725 -2.651) 19.902 6.763 ( -2.484 -8.626 -0.594) 8.996 6.972 ( 2.540 3.577 -0.939) 4.487 8.777 ( 0.022 -0.281 4.296) 4.305 8.828 ( 0.187 2.645 -2.412) 3.584 10.291 ( 1.491 -0.099 -1.851) 2.379 10.354 ( -3.456 7.404 2.636) 8.586 10.491 ( 2.941 2.335 0.237) 3.763 10.564 ( -1.289 8.987 -0.002) 9.079 12.121 ( 0.039 -18.847 -0.273) 18.849 12.487 ( 0.265 -13.237 -0.298) 13.243 13.198 ( -9.752 -3.270 7.291) 12.608 13.468 ( 13.991 7.474 -11.929) 19.847 13.724 ( 0.182 21.291 10.173) 23.598 13.942 ( -4.764 26.632 -7.940) 28.196 16.840 ( 0.676 -23.017 2.012) 23.114 17.338 ( -0.637 -0.488 0.181) 0.823 17.611 ( -0.137 14.585 3.798) 15.072 18.536 ( -0.157 -7.287 -0.095) 7.289 19.572 ( 2.113 -14.130 -1.270) 14.344 19.743 ( -1.744 2.151 -1.545) 3.172 20.050 ( 0.057 0.558 -0.480) 0.738 20.591 ( -0.115 2.731 0.236) 2.743 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 9.290 15.511 -3.089) 18.342 2.726 ( 18.073 31.420 1.205) 36.267 3.600 ( -1.746 -2.412 -0.557) 3.029 3.990 ( -1.190 -1.471 -4.530) 4.909 4.076 ( 2.662 3.900 6.441) 7.986 5.202 ( -2.326 -4.251 2.072) 5.270 5.729 ( 0.988 2.416 -2.061) 3.325 6.245 ( -11.006 -18.531 1.096) 21.580 6.597 ( -5.147 -11.960 3.071) 13.377 6.996 ( -0.688 0.893 -4.754) 4.886 8.808 ( 0.492 -0.116 0.089) 0.514 8.853 ( 1.664 3.836 -0.805) 4.258 10.319 ( -1.778 4.011 -0.539) 4.420 10.329 ( 3.513 -6.596 0.996) 7.540 10.623 ( -3.270 10.802 1.079) 11.338 10.722 ( 12.089 9.859 -0.448) 15.606 11.840 ( -9.539 -17.368 -0.044) 19.815 12.293 ( -8.766 -10.602 0.990) 13.792 13.146 ( 7.520 -9.204 6.685) 13.636 13.664 ( -13.430 27.388 -6.443) 31.177 13.958 ( 25.089 5.902 -10.309) 27.759 14.396 ( 14.901 31.146 9.434) 35.793 16.528 ( -11.271 -19.273 -1.813) 22.401 17.301 ( -1.426 -2.395 0.975) 2.953 17.819 ( 6.082 9.680 1.419) 11.520 18.391 ( -6.728 -10.854 0.723) 12.790 19.339 ( -8.667 -15.088 -4.637) 18.007 19.775 ( 1.574 2.507 2.708) 4.012 20.060 ( 0.406 0.806 -0.158) 0.916 20.625 ( 0.934 1.640 0.480) 1.947 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.87e-04 5.87e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 -0.000 0.000) 0.000 1.869 ( 0.000 -0.000 0.000) 0.000 3.695 ( 0.000 -0.000 0.000) 0.000 3.996 ( 0.000 -0.000 0.000) 0.000 3.996 ( 0.000 -0.000 0.000) 0.000 5.313 ( 0.000 -0.000 0.000) 0.000 5.674 ( 0.000 -0.000 0.000) 0.000 6.827 ( -0.000 0.000 -0.000) 0.000 6.845 ( 0.000 -0.000 0.000) 0.000 6.845 ( 0.000 -0.000 0.000) 0.000 8.794 ( 0.000 -0.000 0.000) 0.000 8.794 ( 0.000 -0.000 0.000) 0.000 10.271 ( 0.000 -0.000 0.000) 0.000 10.271 ( 0.000 -0.000 0.000) 0.000 10.481 ( 0.000 -0.000 0.000) 0.000 10.481 ( 0.000 -0.000 0.000) 0.000 12.337 ( 0.000 -0.000 0.000) 0.000 12.647 ( 0.000 -0.000 0.000) 0.000 13.321 ( 0.000 -0.000 0.000) 0.000 13.321 ( 0.000 -0.000 0.000) 0.000 13.555 ( 0.000 -0.000 0.000) 0.000 13.555 ( 0.000 -0.000 0.000) 0.000 17.208 ( 0.000 -0.000 0.000) 0.000 17.343 ( 0.000 -0.000 0.000) 0.000 17.343 ( 0.000 -0.000 0.000) 0.000 18.608 ( 0.000 -0.000 0.000) 0.000 19.716 ( 0.000 -0.000 0.000) 0.000 19.716 ( 0.000 -0.000 0.000) 0.000 20.043 ( 0.000 -0.000 0.000) 0.000 20.558 ( 0.000 -0.000 0.000) 0.000 =================== 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 3/51840 10.0 646.452 646.452 1151.225 -0.000 0.000 -0.000 3/51840 20.0 612.397 612.397 542.046 -0.000 -0.000 -0.000 3/51840 30.0 295.678 295.678 225.483 0.000 -0.000 -0.000 3/51840 40.0 168.843 168.843 120.784 0.000 -0.000 -0.000 3/51840 50.0 112.517 112.517 78.092 0.000 -0.000 -0.000 3/51840 60.0 82.773 82.773 56.662 0.000 -0.000 -0.000 3/51840 70.0 64.868 64.868 44.134 0.000 -0.000 -0.000 3/51840 80.0 53.013 53.013 35.980 0.000 -0.000 -0.000 3/51840 90.0 44.610 44.610 30.262 0.000 -0.000 -0.000 3/51840 100.0 38.355 38.355 26.036 0.000 -0.000 -0.000 3/51840 110.0 33.528 33.528 22.792 0.000 -0.000 -0.000 3/51840 120.0 29.702 29.702 20.231 0.000 -0.000 -0.000 3/51840 130.0 26.605 26.605 18.163 0.000 -0.000 -0.000 3/51840 140.0 24.055 24.055 16.462 0.000 -0.000 -0.000 3/51840 150.0 21.926 21.926 15.043 0.000 -0.000 -0.000 3/51840 160.0 20.126 20.126 13.843 0.000 -0.000 -0.000 3/51840 170.0 18.588 18.588 12.817 0.000 -0.000 -0.000 3/51840 180.0 17.262 17.262 11.932 0.000 -0.000 -0.000 3/51840 190.0 16.109 16.109 11.160 0.000 -0.000 -0.000 3/51840 200.0 15.098 15.098 10.483 0.000 -0.000 -0.000 3/51840 210.0 14.205 14.205 9.883 0.000 -0.000 -0.000 3/51840 220.0 13.412 13.412 9.350 0.000 -0.000 -0.000 3/51840 230.0 12.702 12.702 8.872 0.000 -0.000 -0.000 3/51840 240.0 12.065 12.065 8.441 0.000 -0.000 -0.000 3/51840 250.0 11.490 11.490 8.052 0.000 -0.000 -0.000 3/51840 260.0 10.967 10.967 7.697 0.000 -0.000 -0.000 3/51840 270.0 10.491 10.491 7.374 0.000 -0.000 -0.000 3/51840 280.0 10.055 10.055 7.077 0.000 -0.000 -0.000 3/51840 290.0 9.655 9.655 6.804 0.000 -0.000 -0.000 3/51840 300.0 9.287 9.287 6.552 0.000 -0.000 -0.000 3/51840 310.0 8.946 8.946 6.318 0.000 -0.000 -0.000 3/51840 320.0 8.630 8.630 6.101 0.000 -0.000 -0.000 3/51840 330.0 8.336 8.336 5.899 0.000 -0.000 -0.000 3/51840 340.0 8.062 8.062 5.710 0.000 -0.000 -0.000 3/51840 350.0 7.805 7.805 5.533 0.000 -0.000 -0.000 3/51840 360.0 7.566 7.566 5.368 0.000 -0.000 -0.000 3/51840 370.0 7.340 7.340 5.212 0.000 -0.000 -0.000 3/51840 380.0 7.129 7.129 5.065 0.000 -0.000 -0.000 3/51840 390.0 6.929 6.929 4.926 0.000 -0.000 -0.000 3/51840 400.0 6.741 6.741 4.795 0.000 -0.000 -0.000 3/51840 410.0 6.563 6.563 4.671 0.000 -0.000 -0.000 3/51840 420.0 6.394 6.394 4.554 0.000 -0.000 -0.000 3/51840 430.0 6.234 6.234 4.442 0.000 -0.000 -0.000 3/51840 440.0 6.082 6.082 4.336 0.000 -0.000 -0.000 3/51840 450.0 5.937 5.937 4.235 0.000 -0.000 -0.000 3/51840 460.0 5.799 5.799 4.139 0.000 -0.000 -0.000 3/51840 470.0 5.668 5.668 4.047 0.000 -0.000 -0.000 3/51840 480.0 5.543 5.543 3.959 0.000 -0.000 -0.000 3/51840 490.0 5.423 5.423 3.875 0.000 -0.000 -0.000 3/51840 500.0 5.308 5.308 3.794 0.000 -0.000 -0.000 3/51840 510.0 5.199 5.199 3.717 0.000 -0.000 -0.000 3/51840 520.0 5.093 5.093 3.643 0.000 -0.000 -0.000 3/51840 530.0 4.993 4.993 3.572 0.000 -0.000 -0.000 3/51840 540.0 4.896 4.896 3.504 0.000 -0.000 -0.000 3/51840 550.0 4.802 4.802 3.438 0.000 -0.000 -0.000 3/51840 560.0 4.713 4.713 3.375 0.000 -0.000 -0.000 3/51840 570.0 4.627 4.627 3.314 0.000 -0.000 -0.000 3/51840 580.0 4.544 4.544 3.255 0.000 -0.000 -0.000 3/51840 590.0 4.463 4.463 3.198 0.000 -0.000 -0.000 3/51840 600.0 4.386 4.386 3.144 0.000 -0.000 -0.000 3/51840 610.0 4.312 4.312 3.091 0.000 -0.000 -0.000 3/51840 620.0 4.239 4.239 3.040 0.000 -0.000 -0.000 3/51840 630.0 4.170 4.170 2.990 0.000 -0.000 -0.000 3/51840 640.0 4.102 4.102 2.943 0.000 -0.000 -0.000 3/51840 650.0 4.037 4.037 2.896 0.000 -0.000 -0.000 3/51840 660.0 3.974 3.974 2.852 0.000 -0.000 -0.000 3/51840 670.0 3.913 3.913 2.808 0.000 -0.000 -0.000 3/51840 680.0 3.854 3.854 2.766 0.000 -0.000 -0.000 3/51840 690.0 3.796 3.796 2.725 0.000 -0.000 -0.000 3/51840 700.0 3.741 3.741 2.686 0.000 -0.000 -0.000 3/51840 710.0 3.686 3.686 2.647 0.000 -0.000 -0.000 3/51840 720.0 3.634 3.634 2.610 0.000 -0.000 -0.000 3/51840 730.0 3.583 3.583 2.574 0.000 -0.000 -0.000 3/51840 740.0 3.533 3.533 2.538 0.000 -0.000 -0.000 3/51840 750.0 3.485 3.485 2.504 0.000 -0.000 -0.000 3/51840 760.0 3.438 3.438 2.470 0.000 -0.000 -0.000 3/51840 770.0 3.392 3.392 2.438 0.000 -0.000 -0.000 3/51840 780.0 3.348 3.348 2.406 0.000 -0.000 -0.000 3/51840 790.0 3.305 3.305 2.375 0.000 -0.000 -0.000 3/51840 800.0 3.263 3.263 2.345 0.000 -0.000 -0.000 3/51840 810.0 3.221 3.221 2.316 0.000 -0.000 -0.000 3/51840 820.0 3.181 3.181 2.287 0.000 -0.000 -0.000 3/51840 830.0 3.142 3.142 2.260 0.000 -0.000 -0.000 3/51840 840.0 3.104 3.104 2.232 0.000 -0.000 -0.000 3/51840 850.0 3.067 3.067 2.206 0.000 -0.000 -0.000 3/51840 860.0 3.031 3.031 2.180 0.000 -0.000 -0.000 3/51840 870.0 2.995 2.995 2.155 0.000 -0.000 -0.000 3/51840 880.0 2.961 2.961 2.130 0.000 -0.000 -0.000 3/51840 890.0 2.927 2.927 2.106 0.000 -0.000 -0.000 3/51840 900.0 2.894 2.894 2.082 0.000 -0.000 -0.000 3/51840 910.0 2.862 2.862 2.059 0.000 -0.000 -0.000 3/51840 920.0 2.830 2.830 2.036 0.000 -0.000 -0.000 3/51840 930.0 2.799 2.799 2.014 0.000 -0.000 -0.000 3/51840 940.0 2.769 2.769 1.993 0.000 -0.000 -0.000 3/51840 950.0 2.739 2.739 1.972 0.000 -0.000 -0.000 3/51840 960.0 2.710 2.710 1.951 0.000 -0.000 -0.000 3/51840 970.0 2.682 2.682 1.931 0.000 -0.000 -0.000 3/51840 980.0 2.654 2.654 1.911 0.000 -0.000 -0.000 3/51840 990.0 2.627 2.627 1.891 0.000 -0.000 -0.000 3/51840 1000.0 2.601 2.601 1.872 0.000 -0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:53:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|