----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:29:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 2.636331019521549 1.522086423793724 4.966475356666662 b -2.636331019521543 1.522086423793724 4.966475356666662 c 0.000000000000002 -3.044172847587452 4.966475356666662 Atomic positions (fractional): *1 Ca 0.63648973567127 0.63648973567127 0.63648973567127 40.078 2 Ca 0.36351026432873 0.36351026432873 0.36351026432873 40.078 *3 Ti 0.85037522941322 0.85037522941322 0.85037522941322 47.867 4 Ti 0.14962477058678 0.14962477058678 0.14962477058678 47.867 *5 O 0.56431065621722 0.18709802760127 0.97491047512723 15.999 6 O 0.18709802760127 0.97491047512723 0.56431065621722 15.999 7 O 0.02508952487277 0.43568934378278 0.81290197239873 15.999 8 O 0.97491047512723 0.56431065621722 0.18709802760127 15.999 9 O 0.81290197239873 0.02508952487277 0.43568934378278 15.999 10 O 0.43568934378278 0.81290197239873 0.02508952487277 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.272662039043093 0.000000000000000 0.000000000000000 b -2.636331019521546 4.566259271381176 0.000000000000000 c 0.000000000000000 0.000000000000000 14.899426070000001 Atomic positions (fractional): *1 Ca 0.33333333333333 0.66666666666667 0.30315640233794 40.078 > 1 2 Ca 0.33333333333333 0.66666666666667 0.03017693099540 40.078 > 2 3 Ca 0.00000000000000 0.00000000000000 0.63648973567127 40.078 > 1 4 Ca 0.00000000000000 0.00000000000000 0.36351026432873 40.078 > 2 5 Ca 0.66666666666667 0.33333333333333 0.96982306900460 40.078 > 1 6 Ca 0.66666666666667 0.33333333333333 0.69684359766206 40.078 > 2 *7 Ti 0.66666666666667 0.33333333333333 0.18370856274656 47.867 > 3 8 Ti 0.00000000000000 0.00000000000000 0.14962477058678 47.867 > 4 9 Ti 0.33333333333333 0.66666666666667 0.51704189607989 47.867 > 3 10 Ti 0.66666666666667 0.33333333333333 0.48295810392011 47.867 > 4 11 Ti 0.00000000000000 0.00000000000000 0.85037522941322 47.867 > 3 12 Ti 0.33333333333333 0.66666666666667 0.81629143725344 47.867 > 4 *13 O 0.32220426990198 0.26719591118801 0.24210638631524 15.999 > 5 14 O 0.94499164128603 0.67779573009802 0.24210638631524 15.999 > 6 15 O 0.93386257785468 0.27832497461936 0.09122694701809 15.999 > 7 16 O 0.73280408881199 0.05500835871397 0.24210638631524 15.999 > 8 17 O 0.72167502538064 0.65553760323532 0.09122694701809 15.999 > 9 18 O 0.34446239676468 0.06613742214533 0.09122694701809 15.999 > 10 19 O 0.98887093656865 0.60052924452134 0.57543971964857 15.999 > 5 20 O 0.61165830795269 0.01112906343135 0.57543971964857 15.999 > 6 21 O 0.60052924452134 0.61165830795269 0.42456028035143 15.999 > 7 22 O 0.39947075547866 0.38834169204731 0.57543971964857 15.999 > 8 23 O 0.38834169204731 0.98887093656865 0.42456028035143 15.999 > 9 24 O 0.01112906343135 0.39947075547866 0.42456028035143 15.999 > 10 25 O 0.65553760323532 0.93386257785468 0.90877305298191 15.999 > 5 26 O 0.27832497461936 0.34446239676468 0.90877305298191 15.999 > 6 27 O 0.26719591118801 0.94499164128603 0.75789361368476 15.999 > 7 28 O 0.06613742214533 0.72167502538064 0.90877305298191 15.999 > 8 29 O 0.05500835871397 0.32220426990198 0.75789361368476 15.999 > 9 30 O 0.67779573009802 0.73280408881199 0.75789361368476 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.545324078086185 0.000000000000000 0.000000000000000 b -5.272662039043092 9.132518542762352 0.000000000000000 c 0.000000000000000 0.000000000000000 14.899426070000001 Atomic positions (fractional): *1 Ca 0.16666666666667 0.33333333333333 0.30315640233794 40.078 > 1 2 Ca 0.66666666666667 0.33333333333333 0.30315640233794 40.078 > 1 3 Ca 0.16666666666667 0.83333333333333 0.30315640233794 40.078 > 1 4 Ca 0.66666666666667 0.83333333333333 0.30315640233794 40.078 > 1 5 Ca 0.16666666666667 0.33333333333333 0.03017693099540 40.078 > 2 6 Ca 0.66666666666667 0.33333333333333 0.03017693099540 40.078 > 2 7 Ca 0.16666666666667 0.83333333333333 0.03017693099540 40.078 > 2 8 Ca 0.66666666666667 0.83333333333333 0.03017693099540 40.078 > 2 9 Ca 0.00000000000000 0.00000000000000 0.63648973567127 40.078 > 1 10 Ca 0.50000000000000 0.00000000000000 0.63648973567127 40.078 > 1 11 Ca 0.00000000000000 0.50000000000000 0.63648973567127 40.078 > 1 12 Ca 0.50000000000000 0.50000000000000 0.63648973567127 40.078 > 1 13 Ca 0.00000000000000 0.00000000000000 0.36351026432873 40.078 > 2 14 Ca 0.50000000000000 0.00000000000000 0.36351026432873 40.078 > 2 15 Ca 0.00000000000000 0.50000000000000 0.36351026432873 40.078 > 2 16 Ca 0.50000000000000 0.50000000000000 0.36351026432873 40.078 > 2 17 Ca 0.33333333333333 0.16666666666667 0.96982306900460 40.078 > 1 18 Ca 0.83333333333333 0.16666666666667 0.96982306900460 40.078 > 1 19 Ca 0.33333333333333 0.66666666666667 0.96982306900460 40.078 > 1 20 Ca 0.83333333333333 0.66666666666667 0.96982306900460 40.078 > 1 21 Ca 0.33333333333333 0.16666666666667 0.69684359766206 40.078 > 2 22 Ca 0.83333333333333 0.16666666666667 0.69684359766206 40.078 > 2 23 Ca 0.33333333333333 0.66666666666667 0.69684359766206 40.078 > 2 24 Ca 0.83333333333333 0.66666666666667 0.69684359766206 40.078 > 2 *25 Ti 0.33333333333333 0.16666666666667 0.18370856274656 47.867 > 3 26 Ti 0.83333333333333 0.16666666666667 0.18370856274656 47.867 > 3 27 Ti 0.33333333333333 0.66666666666667 0.18370856274656 47.867 > 3 28 Ti 0.83333333333333 0.66666666666667 0.18370856274656 47.867 > 3 29 Ti 0.00000000000000 0.00000000000000 0.14962477058678 47.867 > 4 30 Ti 0.50000000000000 0.00000000000000 0.14962477058678 47.867 > 4 31 Ti 0.00000000000000 0.50000000000000 0.14962477058678 47.867 > 4 32 Ti 0.50000000000000 0.50000000000000 0.14962477058678 47.867 > 4 33 Ti 0.16666666666667 0.33333333333333 0.51704189607989 47.867 > 3 34 Ti 0.66666666666667 0.33333333333333 0.51704189607989 47.867 > 3 35 Ti 0.16666666666667 0.83333333333333 0.51704189607989 47.867 > 3 36 Ti 0.66666666666667 0.83333333333333 0.51704189607989 47.867 > 3 37 Ti 0.33333333333333 0.16666666666667 0.48295810392011 47.867 > 4 38 Ti 0.83333333333333 0.16666666666667 0.48295810392011 47.867 > 4 39 Ti 0.33333333333333 0.66666666666667 0.48295810392011 47.867 > 4 40 Ti 0.83333333333333 0.66666666666667 0.48295810392011 47.867 > 4 41 Ti 0.00000000000000 0.00000000000000 0.85037522941322 47.867 > 3 42 Ti 0.50000000000000 0.00000000000000 0.85037522941322 47.867 > 3 43 Ti 0.00000000000000 0.50000000000000 0.85037522941322 47.867 > 3 44 Ti 0.50000000000000 0.50000000000000 0.85037522941322 47.867 > 3 45 Ti 0.16666666666667 0.33333333333333 0.81629143725344 47.867 > 4 46 Ti 0.66666666666667 0.33333333333333 0.81629143725344 47.867 > 4 47 Ti 0.16666666666667 0.83333333333333 0.81629143725344 47.867 > 4 48 Ti 0.66666666666667 0.83333333333333 0.81629143725344 47.867 > 4 *49 O 0.16110213495099 0.13359795559401 0.24210638631524 15.999 > 5 50 O 0.66110213495099 0.13359795559401 0.24210638631524 15.999 > 5 51 O 0.16110213495099 0.63359795559401 0.24210638631524 15.999 > 5 52 O 0.66110213495099 0.63359795559401 0.24210638631524 15.999 > 5 53 O 0.47249582064301 0.33889786504901 0.24210638631524 15.999 > 6 54 O 0.97249582064301 0.33889786504901 0.24210638631524 15.999 > 6 55 O 0.47249582064301 0.83889786504901 0.24210638631524 15.999 > 6 56 O 0.97249582064301 0.83889786504901 0.24210638631524 15.999 > 6 57 O 0.46693128892734 0.13916248730968 0.09122694701809 15.999 > 7 58 O 0.96693128892734 0.13916248730968 0.09122694701809 15.999 > 7 59 O 0.46693128892734 0.63916248730968 0.09122694701809 15.999 > 7 60 O 0.96693128892734 0.63916248730968 0.09122694701809 15.999 > 7 61 O 0.36640204440600 0.02750417935699 0.24210638631524 15.999 > 8 62 O 0.86640204440600 0.02750417935699 0.24210638631524 15.999 > 8 63 O 0.36640204440600 0.52750417935699 0.24210638631524 15.999 > 8 64 O 0.86640204440600 0.52750417935699 0.24210638631524 15.999 > 8 65 O 0.36083751269032 0.32776880161766 0.09122694701809 15.999 > 9 66 O 0.86083751269032 0.32776880161766 0.09122694701809 15.999 > 9 67 O 0.36083751269032 0.82776880161766 0.09122694701809 15.999 > 9 68 O 0.86083751269032 0.82776880161766 0.09122694701809 15.999 > 9 69 O 0.17223119838234 0.03306871107266 0.09122694701809 15.999 > 10 70 O 0.67223119838234 0.03306871107266 0.09122694701809 15.999 > 10 71 O 0.17223119838234 0.53306871107266 0.09122694701809 15.999 > 10 72 O 0.67223119838234 0.53306871107266 0.09122694701809 15.999 > 10 73 O 0.49443546828432 0.30026462226067 0.57543971964857 15.999 > 5 74 O 0.99443546828433 0.30026462226067 0.57543971964857 15.999 > 5 75 O 0.49443546828432 0.80026462226067 0.57543971964857 15.999 > 5 76 O 0.99443546828433 0.80026462226067 0.57543971964857 15.999 > 5 77 O 0.30582915397635 0.00556453171568 0.57543971964857 15.999 > 6 78 O 0.80582915397635 0.00556453171568 0.57543971964857 15.999 > 6 79 O 0.30582915397635 0.50556453171567 0.57543971964857 15.999 > 6 80 O 0.80582915397635 0.50556453171567 0.57543971964857 15.999 > 6 81 O 0.30026462226067 0.30582915397635 0.42456028035143 15.999 > 7 82 O 0.80026462226067 0.30582915397635 0.42456028035143 15.999 > 7 83 O 0.30026462226067 0.80582915397635 0.42456028035143 15.999 > 7 84 O 0.80026462226067 0.80582915397635 0.42456028035143 15.999 > 7 85 O 0.19973537773933 0.19417084602365 0.57543971964857 15.999 > 8 86 O 0.69973537773933 0.19417084602365 0.57543971964857 15.999 > 8 87 O 0.19973537773933 0.69417084602365 0.57543971964857 15.999 > 8 88 O 0.69973537773933 0.69417084602365 0.57543971964857 15.999 > 8 89 O 0.19417084602365 0.49443546828432 0.42456028035143 15.999 > 9 90 O 0.69417084602365 0.49443546828432 0.42456028035143 15.999 > 9 91 O 0.19417084602365 0.99443546828433 0.42456028035143 15.999 > 9 92 O 0.69417084602365 0.99443546828433 0.42456028035143 15.999 > 9 93 O 0.00556453171568 0.19973537773933 0.42456028035143 15.999 > 10 94 O 0.50556453171567 0.19973537773933 0.42456028035143 15.999 > 10 95 O 0.00556453171568 0.69973537773933 0.42456028035143 15.999 > 10 96 O 0.50556453171567 0.69973537773933 0.42456028035143 15.999 > 10 97 O 0.32776880161766 0.46693128892734 0.90877305298191 15.999 > 5 98 O 0.82776880161766 0.46693128892734 0.90877305298191 15.999 > 5 99 O 0.32776880161766 0.96693128892734 0.90877305298191 15.999 > 5 100 O 0.82776880161766 0.96693128892734 0.90877305298191 15.999 > 5 101 O 0.13916248730968 0.17223119838234 0.90877305298191 15.999 > 6 102 O 0.63916248730968 0.17223119838234 0.90877305298191 15.999 > 6 103 O 0.13916248730968 0.67223119838234 0.90877305298191 15.999 > 6 104 O 0.63916248730968 0.67223119838234 0.90877305298191 15.999 > 6 105 O 0.13359795559401 0.47249582064301 0.75789361368476 15.999 > 7 106 O 0.63359795559401 0.47249582064301 0.75789361368476 15.999 > 7 107 O 0.13359795559401 0.97249582064301 0.75789361368476 15.999 > 7 108 O 0.63359795559401 0.97249582064301 0.75789361368476 15.999 > 7 109 O 0.03306871107266 0.36083751269032 0.90877305298191 15.999 > 8 110 O 0.53306871107266 0.36083751269032 0.90877305298191 15.999 > 8 111 O 0.03306871107266 0.86083751269032 0.90877305298191 15.999 > 8 112 O 0.53306871107266 0.86083751269032 0.90877305298191 15.999 > 8 113 O 0.02750417935699 0.16110213495099 0.75789361368476 15.999 > 9 114 O 0.52750417935699 0.16110213495099 0.75789361368476 15.999 > 9 115 O 0.02750417935699 0.66110213495099 0.75789361368476 15.999 > 9 116 O 0.52750417935699 0.66110213495099 0.75789361368476 15.999 > 9 117 O 0.33889786504901 0.36640204440600 0.75789361368476 15.999 > 10 118 O 0.83889786504901 0.36640204440600 0.75789361368476 15.999 > 10 119 O 0.33889786504901 0.86640204440600 0.75789361368476 15.999 > 10 120 O 0.83889786504901 0.86640204440600 0.75789361368476 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1515825 0.0000010 0.0000000 -0.0000010 5.1515825 0.0000000 0.0000000 0.0000000 4.0788440 -------------------------- Born effective charges -------------------------- 1 Ca 2.6246522 0.0021844 0.0000000 -0.0021844 2.6246522 -0.0000000 0.0000000 -0.0000000 2.9501327 2 Ca 2.6246522 0.0021844 0.0000000 -0.0021844 2.6246522 -0.0000000 0.0000000 -0.0000000 2.9501327 3 Ti 5.5251604 0.0485286 0.0000000 -0.0485286 5.5251604 -0.0000000 0.0000000 -0.0000000 2.9971918 4 Ti 5.5251604 0.0485286 0.0000000 -0.0485286 5.5251604 -0.0000000 0.0000000 -0.0000000 2.9971918 5 O -3.3967125 -0.7138156 0.5666497 -0.6800070 -2.0364959 -0.2193963 0.5207581 -0.3187022 -1.9824415 6 O -1.7730072 -0.2574397 -0.4733276 -0.2236311 -3.6602012 -0.3810349 -0.5363832 -0.2916387 -1.9824415 7 O -2.9800930 0.9205424 -0.0933221 0.9543510 -2.4531155 0.6004312 0.0156251 0.6103409 -1.9824415 8 O -2.9800930 0.9205424 -0.0933221 0.9543510 -2.4531155 0.6004312 0.0156251 0.6103409 -1.9824415 9 O -1.7730072 -0.2574397 -0.4733276 -0.2236311 -3.6602012 -0.3810349 -0.5363832 -0.2916387 -1.9824415 10 O -3.3967125 -0.7138156 0.5666497 -0.6800070 -2.0364959 -0.2193963 0.5207581 -0.3187022 -1.9824415 ---------------------------------------------------------------------------- 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: 464 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): 0.022 Solver_block: 100 / 240 - Time: 1.022 Solver_block: 200 / 240 - Time: 1.063 Solver_block: 240 / 240 - Time: 0.485 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.606 --------------------------------- 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: 464 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:29:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:29:18]------------------------- 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 2.636331019521549 1.522086423793724 4.966475356666662 b -2.636331019521543 1.522086423793724 4.966475356666662 c 0.000000000000002 -3.044172847587452 4.966475356666662 Atomic positions (fractional): 1 Ca 0.63648973567127 0.63648973567127 0.63648973567127 40.078 2 Ca 0.36351026432873 0.36351026432873 0.36351026432873 40.078 3 Ti 0.85037522941322 0.85037522941322 0.85037522941322 47.867 4 Ti 0.14962477058678 0.14962477058678 0.14962477058678 47.867 5 O 0.56431065621722 0.18709802760127 0.97491047512723 15.999 6 O 0.18709802760127 0.97491047512723 0.56431065621722 15.999 7 O 0.02508952487277 0.43568934378278 0.81290197239873 15.999 8 O 0.97491047512723 0.56431065621722 0.18709802760127 15.999 9 O 0.81290197239873 0.02508952487277 0.43568934378278 15.999 10 O 0.43568934378278 0.81290197239873 0.02508952487277 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.545324078086185 0.000000000000000 0.000000000000000 b -5.272662039043092 9.132518542762352 0.000000000000000 c 0.000000000000000 0.000000000000000 14.899426070000001 Atomic positions (fractional): 1 Ca 0.16666666666667 0.33333333333333 0.30315640233794 40.078 > 1 2 Ca 0.66666666666667 0.33333333333333 0.30315640233794 40.078 > 1 3 Ca 0.16666666666667 0.83333333333333 0.30315640233794 40.078 > 1 4 Ca 0.66666666666667 0.83333333333333 0.30315640233794 40.078 > 1 5 Ca 0.16666666666667 0.33333333333333 0.03017693099540 40.078 > 5 6 Ca 0.66666666666667 0.33333333333333 0.03017693099540 40.078 > 5 7 Ca 0.16666666666667 0.83333333333333 0.03017693099540 40.078 > 5 8 Ca 0.66666666666667 0.83333333333333 0.03017693099540 40.078 > 5 9 Ca 0.00000000000000 0.00000000000000 0.63648973567127 40.078 > 1 10 Ca 0.50000000000000 0.00000000000000 0.63648973567127 40.078 > 1 11 Ca 0.00000000000000 0.50000000000000 0.63648973567127 40.078 > 1 12 Ca 0.50000000000000 0.50000000000000 0.63648973567127 40.078 > 1 13 Ca 0.00000000000000 0.00000000000000 0.36351026432873 40.078 > 5 14 Ca 0.50000000000000 0.00000000000000 0.36351026432873 40.078 > 5 15 Ca 0.00000000000000 0.50000000000000 0.36351026432873 40.078 > 5 16 Ca 0.50000000000000 0.50000000000000 0.36351026432873 40.078 > 5 17 Ca 0.33333333333333 0.16666666666667 0.96982306900460 40.078 > 1 18 Ca 0.83333333333333 0.16666666666667 0.96982306900460 40.078 > 1 19 Ca 0.33333333333333 0.66666666666667 0.96982306900460 40.078 > 1 20 Ca 0.83333333333333 0.66666666666667 0.96982306900460 40.078 > 1 21 Ca 0.33333333333333 0.16666666666667 0.69684359766206 40.078 > 5 22 Ca 0.83333333333333 0.16666666666667 0.69684359766206 40.078 > 5 23 Ca 0.33333333333333 0.66666666666667 0.69684359766206 40.078 > 5 24 Ca 0.83333333333333 0.66666666666667 0.69684359766206 40.078 > 5 25 Ti 0.33333333333333 0.16666666666667 0.18370856274656 47.867 > 25 26 Ti 0.83333333333333 0.16666666666667 0.18370856274656 47.867 > 25 27 Ti 0.33333333333333 0.66666666666667 0.18370856274656 47.867 > 25 28 Ti 0.83333333333333 0.66666666666667 0.18370856274656 47.867 > 25 29 Ti 0.00000000000000 0.00000000000000 0.14962477058678 47.867 > 29 30 Ti 0.50000000000000 0.00000000000000 0.14962477058678 47.867 > 29 31 Ti 0.00000000000000 0.50000000000000 0.14962477058678 47.867 > 29 32 Ti 0.50000000000000 0.50000000000000 0.14962477058678 47.867 > 29 33 Ti 0.16666666666667 0.33333333333333 0.51704189607989 47.867 > 25 34 Ti 0.66666666666667 0.33333333333333 0.51704189607989 47.867 > 25 35 Ti 0.16666666666667 0.83333333333333 0.51704189607989 47.867 > 25 36 Ti 0.66666666666667 0.83333333333333 0.51704189607989 47.867 > 25 37 Ti 0.33333333333333 0.16666666666667 0.48295810392011 47.867 > 29 38 Ti 0.83333333333333 0.16666666666667 0.48295810392011 47.867 > 29 39 Ti 0.33333333333333 0.66666666666667 0.48295810392011 47.867 > 29 40 Ti 0.83333333333333 0.66666666666667 0.48295810392011 47.867 > 29 41 Ti 0.00000000000000 0.00000000000000 0.85037522941322 47.867 > 25 42 Ti 0.50000000000000 0.00000000000000 0.85037522941322 47.867 > 25 43 Ti 0.00000000000000 0.50000000000000 0.85037522941322 47.867 > 25 44 Ti 0.50000000000000 0.50000000000000 0.85037522941322 47.867 > 25 45 Ti 0.16666666666667 0.33333333333333 0.81629143725344 47.867 > 29 46 Ti 0.66666666666667 0.33333333333333 0.81629143725344 47.867 > 29 47 Ti 0.16666666666667 0.83333333333333 0.81629143725344 47.867 > 29 48 Ti 0.66666666666667 0.83333333333333 0.81629143725344 47.867 > 29 49 O 0.16110213495099 0.13359795559401 0.24210638631524 15.999 > 49 50 O 0.66110213495099 0.13359795559401 0.24210638631524 15.999 > 49 51 O 0.16110213495099 0.63359795559401 0.24210638631524 15.999 > 49 52 O 0.66110213495099 0.63359795559401 0.24210638631524 15.999 > 49 53 O 0.47249582064301 0.33889786504901 0.24210638631524 15.999 > 53 54 O 0.97249582064301 0.33889786504901 0.24210638631524 15.999 > 53 55 O 0.47249582064301 0.83889786504901 0.24210638631524 15.999 > 53 56 O 0.97249582064301 0.83889786504901 0.24210638631524 15.999 > 53 57 O 0.46693128892734 0.13916248730968 0.09122694701809 15.999 > 57 58 O 0.96693128892734 0.13916248730968 0.09122694701809 15.999 > 57 59 O 0.46693128892734 0.63916248730968 0.09122694701809 15.999 > 57 60 O 0.96693128892734 0.63916248730968 0.09122694701809 15.999 > 57 61 O 0.36640204440600 0.02750417935699 0.24210638631524 15.999 > 61 62 O 0.86640204440600 0.02750417935699 0.24210638631524 15.999 > 61 63 O 0.36640204440600 0.52750417935699 0.24210638631524 15.999 > 61 64 O 0.86640204440600 0.52750417935699 0.24210638631524 15.999 > 61 65 O 0.36083751269032 0.32776880161766 0.09122694701809 15.999 > 65 66 O 0.86083751269032 0.32776880161766 0.09122694701809 15.999 > 65 67 O 0.36083751269032 0.82776880161766 0.09122694701809 15.999 > 65 68 O 0.86083751269032 0.82776880161766 0.09122694701809 15.999 > 65 69 O 0.17223119838234 0.03306871107266 0.09122694701809 15.999 > 69 70 O 0.67223119838234 0.03306871107266 0.09122694701809 15.999 > 69 71 O 0.17223119838234 0.53306871107266 0.09122694701809 15.999 > 69 72 O 0.67223119838234 0.53306871107266 0.09122694701809 15.999 > 69 73 O 0.49443546828432 0.30026462226067 0.57543971964857 15.999 > 49 74 O 0.99443546828433 0.30026462226067 0.57543971964857 15.999 > 49 75 O 0.49443546828432 0.80026462226067 0.57543971964857 15.999 > 49 76 O 0.99443546828433 0.80026462226067 0.57543971964857 15.999 > 49 77 O 0.30582915397635 0.00556453171568 0.57543971964857 15.999 > 53 78 O 0.80582915397635 0.00556453171568 0.57543971964857 15.999 > 53 79 O 0.30582915397635 0.50556453171567 0.57543971964857 15.999 > 53 80 O 0.80582915397635 0.50556453171567 0.57543971964857 15.999 > 53 81 O 0.30026462226067 0.30582915397635 0.42456028035143 15.999 > 57 82 O 0.80026462226067 0.30582915397635 0.42456028035143 15.999 > 57 83 O 0.30026462226067 0.80582915397635 0.42456028035143 15.999 > 57 84 O 0.80026462226067 0.80582915397635 0.42456028035143 15.999 > 57 85 O 0.19973537773933 0.19417084602365 0.57543971964857 15.999 > 61 86 O 0.69973537773933 0.19417084602365 0.57543971964857 15.999 > 61 87 O 0.19973537773933 0.69417084602365 0.57543971964857 15.999 > 61 88 O 0.69973537773933 0.69417084602365 0.57543971964857 15.999 > 61 89 O 0.19417084602365 0.49443546828432 0.42456028035143 15.999 > 65 90 O 0.69417084602365 0.49443546828432 0.42456028035143 15.999 > 65 91 O 0.19417084602365 0.99443546828433 0.42456028035143 15.999 > 65 92 O 0.69417084602365 0.99443546828433 0.42456028035143 15.999 > 65 93 O 0.00556453171568 0.19973537773933 0.42456028035143 15.999 > 69 94 O 0.50556453171567 0.19973537773933 0.42456028035143 15.999 > 69 95 O 0.00556453171568 0.69973537773933 0.42456028035143 15.999 > 69 96 O 0.50556453171567 0.69973537773933 0.42456028035143 15.999 > 69 97 O 0.32776880161766 0.46693128892734 0.90877305298191 15.999 > 49 98 O 0.82776880161766 0.46693128892734 0.90877305298191 15.999 > 49 99 O 0.32776880161766 0.96693128892734 0.90877305298191 15.999 > 49 100 O 0.82776880161766 0.96693128892734 0.90877305298191 15.999 > 49 101 O 0.13916248730968 0.17223119838234 0.90877305298191 15.999 > 53 102 O 0.63916248730968 0.17223119838234 0.90877305298191 15.999 > 53 103 O 0.13916248730968 0.67223119838234 0.90877305298191 15.999 > 53 104 O 0.63916248730968 0.67223119838234 0.90877305298191 15.999 > 53 105 O 0.13359795559401 0.47249582064301 0.75789361368476 15.999 > 57 106 O 0.63359795559401 0.47249582064301 0.75789361368476 15.999 > 57 107 O 0.13359795559401 0.97249582064301 0.75789361368476 15.999 > 57 108 O 0.63359795559401 0.97249582064301 0.75789361368476 15.999 > 57 109 O 0.03306871107266 0.36083751269032 0.90877305298191 15.999 > 61 110 O 0.53306871107266 0.36083751269032 0.90877305298191 15.999 > 61 111 O 0.03306871107266 0.86083751269032 0.90877305298191 15.999 > 61 112 O 0.53306871107266 0.86083751269032 0.90877305298191 15.999 > 61 113 O 0.02750417935699 0.16110213495099 0.75789361368476 15.999 > 65 114 O 0.52750417935699 0.16110213495099 0.75789361368476 15.999 > 65 115 O 0.02750417935699 0.66110213495099 0.75789361368476 15.999 > 65 116 O 0.52750417935699 0.66110213495099 0.75789361368476 15.999 > 65 117 O 0.33889786504901 0.36640204440600 0.75789361368476 15.999 > 69 118 O 0.83889786504901 0.36640204440600 0.75789361368476 15.999 > 69 119 O 0.33889786504901 0.86640204440600 0.75789361368476 15.999 > 69 120 O 0.83889786504901 0.86640204440600 0.75789361368476 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1515825 0.0000010 0.0000000 -0.0000010 5.1515825 0.0000000 0.0000000 0.0000000 4.0788440 -------------------------- Born effective charges -------------------------- 1 Ca 2.6246522 0.0021844 0.0000000 -0.0021844 2.6246522 -0.0000000 0.0000000 -0.0000000 2.9501327 2 Ca 2.6246522 0.0021844 0.0000000 -0.0021844 2.6246522 -0.0000000 0.0000000 -0.0000000 2.9501327 3 Ti 5.5251604 0.0485286 0.0000000 -0.0485286 5.5251604 -0.0000000 0.0000000 -0.0000000 2.9971918 4 Ti 5.5251604 0.0485286 0.0000000 -0.0485286 5.5251604 -0.0000000 0.0000000 -0.0000000 2.9971918 5 O -3.3967125 -0.7138156 0.5666497 -0.6800070 -2.0364959 -0.2193963 0.5207581 -0.3187022 -1.9824415 6 O -1.7730072 -0.2574397 -0.4733276 -0.2236311 -3.6602012 -0.3810349 -0.5363832 -0.2916387 -1.9824415 7 O -2.9800930 0.9205424 -0.0933221 0.9543510 -2.4531155 0.6004312 0.0156251 0.6103409 -1.9824415 8 O -2.9800930 0.9205424 -0.0933221 0.9543510 -2.4531155 0.6004312 0.0156251 0.6103409 -1.9824415 9 O -1.7730072 -0.2574397 -0.4733276 -0.2236311 -3.6602012 -0.3810349 -0.5363832 -0.2916387 -1.9824415 10 O -3.3967125 -0.7138156 0.5666497 -0.6800070 -2.0364959 -0.2193963 0.5207581 -0.3187022 -1.9824415 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: 0.00000003 (xzx) 0.00000003 (xzx) 0.00000003 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:29:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:29:29]------------------------- 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 2.636331019521549 1.522086423793724 4.966475356666662 b -2.636331019521543 1.522086423793724 4.966475356666662 c 0.000000000000002 -3.044172847587452 4.966475356666662 Atomic positions (fractional): 1 Ca 0.63648973567127 0.63648973567127 0.63648973567127 40.078 2 Ca 0.36351026432873 0.36351026432873 0.36351026432873 40.078 3 Ti 0.85037522941322 0.85037522941322 0.85037522941322 47.867 4 Ti 0.14962477058678 0.14962477058678 0.14962477058678 47.867 5 O 0.56431065621722 0.18709802760127 0.97491047512723 15.999 6 O 0.18709802760127 0.97491047512723 0.56431065621722 15.999 7 O 0.02508952487277 0.43568934378278 0.81290197239873 15.999 8 O 0.97491047512723 0.56431065621722 0.18709802760127 15.999 9 O 0.81290197239873 0.02508952487277 0.43568934378278 15.999 10 O 0.43568934378278 0.81290197239873 0.02508952487277 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.545324078086185 0.000000000000000 0.000000000000000 b -5.272662039043092 9.132518542762352 0.000000000000000 c 0.000000000000000 0.000000000000000 14.899426070000001 Atomic positions (fractional): 1 Ca 0.16666666666667 0.33333333333333 0.30315640233794 40.078 > 1 2 Ca 0.66666666666667 0.33333333333333 0.30315640233794 40.078 > 1 3 Ca 0.16666666666667 0.83333333333333 0.30315640233794 40.078 > 1 4 Ca 0.66666666666667 0.83333333333333 0.30315640233794 40.078 > 1 5 Ca 0.16666666666667 0.33333333333333 0.03017693099540 40.078 > 5 6 Ca 0.66666666666667 0.33333333333333 0.03017693099540 40.078 > 5 7 Ca 0.16666666666667 0.83333333333333 0.03017693099540 40.078 > 5 8 Ca 0.66666666666667 0.83333333333333 0.03017693099540 40.078 > 5 9 Ca 0.00000000000000 0.00000000000000 0.63648973567127 40.078 > 1 10 Ca 0.50000000000000 0.00000000000000 0.63648973567127 40.078 > 1 11 Ca 0.00000000000000 0.50000000000000 0.63648973567127 40.078 > 1 12 Ca 0.50000000000000 0.50000000000000 0.63648973567127 40.078 > 1 13 Ca 0.00000000000000 0.00000000000000 0.36351026432873 40.078 > 5 14 Ca 0.50000000000000 0.00000000000000 0.36351026432873 40.078 > 5 15 Ca 0.00000000000000 0.50000000000000 0.36351026432873 40.078 > 5 16 Ca 0.50000000000000 0.50000000000000 0.36351026432873 40.078 > 5 17 Ca 0.33333333333333 0.16666666666667 0.96982306900460 40.078 > 1 18 Ca 0.83333333333333 0.16666666666667 0.96982306900460 40.078 > 1 19 Ca 0.33333333333333 0.66666666666667 0.96982306900460 40.078 > 1 20 Ca 0.83333333333333 0.66666666666667 0.96982306900460 40.078 > 1 21 Ca 0.33333333333333 0.16666666666667 0.69684359766206 40.078 > 5 22 Ca 0.83333333333333 0.16666666666667 0.69684359766206 40.078 > 5 23 Ca 0.33333333333333 0.66666666666667 0.69684359766206 40.078 > 5 24 Ca 0.83333333333333 0.66666666666667 0.69684359766206 40.078 > 5 25 Ti 0.33333333333333 0.16666666666667 0.18370856274656 47.867 > 25 26 Ti 0.83333333333333 0.16666666666667 0.18370856274656 47.867 > 25 27 Ti 0.33333333333333 0.66666666666667 0.18370856274656 47.867 > 25 28 Ti 0.83333333333333 0.66666666666667 0.18370856274656 47.867 > 25 29 Ti 0.00000000000000 0.00000000000000 0.14962477058678 47.867 > 29 30 Ti 0.50000000000000 0.00000000000000 0.14962477058678 47.867 > 29 31 Ti 0.00000000000000 0.50000000000000 0.14962477058678 47.867 > 29 32 Ti 0.50000000000000 0.50000000000000 0.14962477058678 47.867 > 29 33 Ti 0.16666666666667 0.33333333333333 0.51704189607989 47.867 > 25 34 Ti 0.66666666666667 0.33333333333333 0.51704189607989 47.867 > 25 35 Ti 0.16666666666667 0.83333333333333 0.51704189607989 47.867 > 25 36 Ti 0.66666666666667 0.83333333333333 0.51704189607989 47.867 > 25 37 Ti 0.33333333333333 0.16666666666667 0.48295810392011 47.867 > 29 38 Ti 0.83333333333333 0.16666666666667 0.48295810392011 47.867 > 29 39 Ti 0.33333333333333 0.66666666666667 0.48295810392011 47.867 > 29 40 Ti 0.83333333333333 0.66666666666667 0.48295810392011 47.867 > 29 41 Ti 0.00000000000000 0.00000000000000 0.85037522941322 47.867 > 25 42 Ti 0.50000000000000 0.00000000000000 0.85037522941322 47.867 > 25 43 Ti 0.00000000000000 0.50000000000000 0.85037522941322 47.867 > 25 44 Ti 0.50000000000000 0.50000000000000 0.85037522941322 47.867 > 25 45 Ti 0.16666666666667 0.33333333333333 0.81629143725344 47.867 > 29 46 Ti 0.66666666666667 0.33333333333333 0.81629143725344 47.867 > 29 47 Ti 0.16666666666667 0.83333333333333 0.81629143725344 47.867 > 29 48 Ti 0.66666666666667 0.83333333333333 0.81629143725344 47.867 > 29 49 O 0.16110213495099 0.13359795559401 0.24210638631524 15.999 > 49 50 O 0.66110213495099 0.13359795559401 0.24210638631524 15.999 > 49 51 O 0.16110213495099 0.63359795559401 0.24210638631524 15.999 > 49 52 O 0.66110213495099 0.63359795559401 0.24210638631524 15.999 > 49 53 O 0.47249582064301 0.33889786504901 0.24210638631524 15.999 > 53 54 O 0.97249582064301 0.33889786504901 0.24210638631524 15.999 > 53 55 O 0.47249582064301 0.83889786504901 0.24210638631524 15.999 > 53 56 O 0.97249582064301 0.83889786504901 0.24210638631524 15.999 > 53 57 O 0.46693128892734 0.13916248730968 0.09122694701809 15.999 > 57 58 O 0.96693128892734 0.13916248730968 0.09122694701809 15.999 > 57 59 O 0.46693128892734 0.63916248730968 0.09122694701809 15.999 > 57 60 O 0.96693128892734 0.63916248730968 0.09122694701809 15.999 > 57 61 O 0.36640204440600 0.02750417935699 0.24210638631524 15.999 > 61 62 O 0.86640204440600 0.02750417935699 0.24210638631524 15.999 > 61 63 O 0.36640204440600 0.52750417935699 0.24210638631524 15.999 > 61 64 O 0.86640204440600 0.52750417935699 0.24210638631524 15.999 > 61 65 O 0.36083751269032 0.32776880161766 0.09122694701809 15.999 > 65 66 O 0.86083751269032 0.32776880161766 0.09122694701809 15.999 > 65 67 O 0.36083751269032 0.82776880161766 0.09122694701809 15.999 > 65 68 O 0.86083751269032 0.82776880161766 0.09122694701809 15.999 > 65 69 O 0.17223119838234 0.03306871107266 0.09122694701809 15.999 > 69 70 O 0.67223119838234 0.03306871107266 0.09122694701809 15.999 > 69 71 O 0.17223119838234 0.53306871107266 0.09122694701809 15.999 > 69 72 O 0.67223119838234 0.53306871107266 0.09122694701809 15.999 > 69 73 O 0.49443546828432 0.30026462226067 0.57543971964857 15.999 > 49 74 O 0.99443546828433 0.30026462226067 0.57543971964857 15.999 > 49 75 O 0.49443546828432 0.80026462226067 0.57543971964857 15.999 > 49 76 O 0.99443546828433 0.80026462226067 0.57543971964857 15.999 > 49 77 O 0.30582915397635 0.00556453171568 0.57543971964857 15.999 > 53 78 O 0.80582915397635 0.00556453171568 0.57543971964857 15.999 > 53 79 O 0.30582915397635 0.50556453171567 0.57543971964857 15.999 > 53 80 O 0.80582915397635 0.50556453171567 0.57543971964857 15.999 > 53 81 O 0.30026462226067 0.30582915397635 0.42456028035143 15.999 > 57 82 O 0.80026462226067 0.30582915397635 0.42456028035143 15.999 > 57 83 O 0.30026462226067 0.80582915397635 0.42456028035143 15.999 > 57 84 O 0.80026462226067 0.80582915397635 0.42456028035143 15.999 > 57 85 O 0.19973537773933 0.19417084602365 0.57543971964857 15.999 > 61 86 O 0.69973537773933 0.19417084602365 0.57543971964857 15.999 > 61 87 O 0.19973537773933 0.69417084602365 0.57543971964857 15.999 > 61 88 O 0.69973537773933 0.69417084602365 0.57543971964857 15.999 > 61 89 O 0.19417084602365 0.49443546828432 0.42456028035143 15.999 > 65 90 O 0.69417084602365 0.49443546828432 0.42456028035143 15.999 > 65 91 O 0.19417084602365 0.99443546828433 0.42456028035143 15.999 > 65 92 O 0.69417084602365 0.99443546828433 0.42456028035143 15.999 > 65 93 O 0.00556453171568 0.19973537773933 0.42456028035143 15.999 > 69 94 O 0.50556453171567 0.19973537773933 0.42456028035143 15.999 > 69 95 O 0.00556453171568 0.69973537773933 0.42456028035143 15.999 > 69 96 O 0.50556453171567 0.69973537773933 0.42456028035143 15.999 > 69 97 O 0.32776880161766 0.46693128892734 0.90877305298191 15.999 > 49 98 O 0.82776880161766 0.46693128892734 0.90877305298191 15.999 > 49 99 O 0.32776880161766 0.96693128892734 0.90877305298191 15.999 > 49 100 O 0.82776880161766 0.96693128892734 0.90877305298191 15.999 > 49 101 O 0.13916248730968 0.17223119838234 0.90877305298191 15.999 > 53 102 O 0.63916248730968 0.17223119838234 0.90877305298191 15.999 > 53 103 O 0.13916248730968 0.67223119838234 0.90877305298191 15.999 > 53 104 O 0.63916248730968 0.67223119838234 0.90877305298191 15.999 > 53 105 O 0.13359795559401 0.47249582064301 0.75789361368476 15.999 > 57 106 O 0.63359795559401 0.47249582064301 0.75789361368476 15.999 > 57 107 O 0.13359795559401 0.97249582064301 0.75789361368476 15.999 > 57 108 O 0.63359795559401 0.97249582064301 0.75789361368476 15.999 > 57 109 O 0.03306871107266 0.36083751269032 0.90877305298191 15.999 > 61 110 O 0.53306871107266 0.36083751269032 0.90877305298191 15.999 > 61 111 O 0.03306871107266 0.86083751269032 0.90877305298191 15.999 > 61 112 O 0.53306871107266 0.86083751269032 0.90877305298191 15.999 > 61 113 O 0.02750417935699 0.16110213495099 0.75789361368476 15.999 > 65 114 O 0.52750417935699 0.16110213495099 0.75789361368476 15.999 > 65 115 O 0.02750417935699 0.66110213495099 0.75789361368476 15.999 > 65 116 O 0.52750417935699 0.66110213495099 0.75789361368476 15.999 > 65 117 O 0.33889786504901 0.36640204440600 0.75789361368476 15.999 > 69 118 O 0.83889786504901 0.36640204440600 0.75789361368476 15.999 > 69 119 O 0.33889786504901 0.86640204440600 0.75789361368476 15.999 > 69 120 O 0.83889786504901 0.86640204440600 0.75789361368476 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1515825 0.0000010 0.0000000 -0.0000010 5.1515825 0.0000000 0.0000000 0.0000000 4.0788440 -------------------------- Born effective charges -------------------------- 1 Ca 2.6246522 0.0021844 0.0000000 -0.0021844 2.6246522 -0.0000000 0.0000000 -0.0000000 2.9501327 2 Ca 2.6246522 0.0021844 0.0000000 -0.0021844 2.6246522 -0.0000000 0.0000000 -0.0000000 2.9501327 3 Ti 5.5251604 0.0485286 0.0000000 -0.0485286 5.5251604 -0.0000000 0.0000000 -0.0000000 2.9971918 4 Ti 5.5251604 0.0485286 0.0000000 -0.0485286 5.5251604 -0.0000000 0.0000000 -0.0000000 2.9971918 5 O -3.3967125 -0.7138156 0.5666497 -0.6800070 -2.0364959 -0.2193963 0.5207581 -0.3187022 -1.9824415 6 O -1.7730072 -0.2574397 -0.4733276 -0.2236311 -3.6602012 -0.3810349 -0.5363832 -0.2916387 -1.9824415 7 O -2.9800930 0.9205424 -0.0933221 0.9543510 -2.4531155 0.6004312 0.0156251 0.6103409 -1.9824415 8 O -2.9800930 0.9205424 -0.0933221 0.9543510 -2.4531155 0.6004312 0.0156251 0.6103409 -1.9824415 9 O -1.7730072 -0.2574397 -0.4733276 -0.2236311 -3.6602012 -0.3810349 -0.5363832 -0.2916387 -1.9824415 10 O -3.3967125 -0.7138156 0.5666497 -0.6800070 -2.0364959 -0.2193963 0.5207581 -0.3187022 -1.9824415 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xzx) 0.00000003 (xzx) 0.00000003 (xxz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.84, Number of G-points: 297, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 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 5.649 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.966 ( 0.000 0.000 0.000) 0.000 6.966 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 8.133 ( 0.000 0.000 0.000) 0.000 8.133 ( 0.000 0.000 0.000) 0.000 8.615 ( 0.000 0.000 0.000) 0.000 8.615 ( 0.000 0.000 0.000) 0.000 8.988 ( 0.000 0.000 0.000) 0.000 9.662 ( 0.000 0.000 0.000) 0.000 9.662 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 12.025 ( 0.000 0.000 0.000) 0.000 12.025 ( 0.000 0.000 0.000) 0.000 13.853 ( 0.000 0.000 0.000) 0.000 14.082 ( 0.000 0.000 0.000) 0.000 14.082 ( 0.000 0.000 0.000) 0.000 14.543 ( 0.000 0.000 0.000) 0.000 15.400 ( 0.000 0.000 0.000) 0.000 15.400 ( 0.000 0.000 0.000) 0.000 17.773 ( 0.000 0.000 0.000) 0.000 17.773 ( 0.000 0.000 0.000) 0.000 20.516 ( 0.000 0.000 0.000) 0.000 20.749 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 17.414 20.634 25.176) 36.917 0.906 ( 27.350 41.146 3.324) 49.519 1.747 ( 77.198 27.405 17.592) 83.786 5.429 ( -14.984 -8.883 -11.485) 20.865 6.345 ( -22.498 -16.690 14.621) 31.599 6.442 ( -14.550 -7.202 -19.842) 25.637 6.840 ( -11.881 -6.305 11.200) 17.503 7.013 ( -5.668 -2.227 -7.493) 9.656 7.312 ( 19.863 -0.624 -0.982) 19.897 7.515 ( 5.741 17.534 11.454) 21.717 8.001 ( -7.870 -2.571 -2.950) 8.789 8.160 ( 0.575 2.520 2.922) 3.902 8.590 ( -1.560 -2.850 -0.056) 3.249 9.004 ( 1.418 0.518 1.307) 1.997 9.665 ( 2.826 0.349 -4.641) 5.445 9.731 ( 6.092 -2.264 7.920) 10.245 10.227 ( 8.919 5.939 -15.430) 18.786 10.517 ( 3.906 5.947 8.562) 11.133 12.033 ( 2.354 -1.628 -1.102) 3.067 13.415 ( -1.592 4.809 -26.012) 26.500 13.786 ( -3.778 -3.431 -9.687) 10.950 13.943 ( -10.807 -6.318 0.334) 12.523 14.104 ( 4.224 -1.125 -1.307) 4.562 14.644 ( -7.318 -0.967 31.562) 32.414 15.451 ( 3.816 1.999 0.909) 4.403 17.734 ( -3.131 2.093 -6.248) 7.295 17.837 ( 6.105 1.972 0.136) 6.417 20.417 ( 0.910 0.030 -25.102) 25.119 20.644 ( 16.359 6.773 -35.902) 40.030 22.482 ( -1.959 -1.045 1.751) 2.827 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 15.549 20.251 23.026) 34.381 1.792 ( 25.926 40.118 2.042) 47.810 3.345 ( 64.319 18.569 14.402) 68.478 4.956 ( -13.746 -8.305 -10.673) 19.283 5.878 ( -17.838 -19.468 10.171) 28.296 6.057 ( -13.562 -0.414 -19.112) 23.439 6.402 ( -30.475 -10.593 -4.295) 32.548 6.863 ( -4.826 -6.003 5.816) 9.651 7.542 ( 11.269 -7.308 -9.950) 16.715 7.677 ( -4.630 6.506 12.530) 14.859 7.979 ( 3.493 5.302 0.739) 6.392 8.226 ( -0.609 7.885 -0.506) 7.924 8.523 ( -0.552 -5.278 3.217) 6.205 9.062 ( 2.805 0.695 2.135) 3.593 9.711 ( 5.357 -0.100 -6.597) 8.498 9.894 ( 5.899 -0.145 11.111) 12.581 10.330 ( 4.140 1.485 -2.543) 5.080 10.742 ( 9.843 12.016 -5.331) 16.422 12.072 ( 5.695 -1.414 -2.801) 6.503 13.262 ( -7.182 5.009 -12.516) 15.275 13.533 ( -8.522 -11.891 -9.440) 17.411 13.655 ( -14.404 -3.577 -3.853) 15.333 14.166 ( 1.777 -3.005 7.553) 8.321 14.696 ( -6.017 0.977 23.172) 23.961 15.559 ( 4.895 2.318 1.118) 5.531 17.650 ( -3.646 3.418 -9.559) 10.787 18.015 ( 10.549 3.992 0.542) 11.292 20.243 ( -5.213 -3.363 -14.218) 15.513 20.790 ( 12.983 2.367 -15.742) 20.542 22.424 ( -4.187 -2.109 1.259) 4.854 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 7.003 18.581 17.233) 26.292 2.579 ( 20.049 32.850 0.033) 38.485 3.937 ( -0.014 -12.883 -1.492) 12.969 5.233 ( 24.334 10.021 8.100) 27.535 5.553 ( 7.276 -8.939 1.999) 11.698 5.643 ( -29.351 -11.951 -9.572) 33.105 5.768 ( -9.900 2.985 -11.675) 15.596 6.787 ( -3.780 -2.844 7.644) 8.989 7.502 ( -13.160 10.059 -1.465) 16.629 7.669 ( 10.501 -25.294 5.631) 27.960 8.084 ( -1.262 3.141 1.895) 3.879 8.295 ( 1.129 15.813 -8.545) 18.010 8.585 ( 7.561 -2.243 9.236) 12.146 9.122 ( 1.961 -0.063 1.978) 2.786 9.735 ( 2.407 -2.352 -5.933) 6.821 9.992 ( -3.770 2.235 5.956) 7.395 10.363 ( 2.016 -4.058 2.052) 4.975 11.000 ( 9.617 12.063 -7.594) 17.195 12.172 ( 8.710 0.536 -4.774) 9.947 13.117 ( -6.955 5.576 -19.634) 21.563 13.233 ( -5.679 -13.640 6.691) 16.220 13.342 ( -15.848 0.812 -6.931) 17.316 14.155 ( -5.583 -8.746 16.536) 19.522 14.750 ( -2.639 3.118 13.103) 13.725 15.666 ( 4.084 1.844 0.952) 4.581 17.580 ( -1.654 3.689 -8.942) 9.813 18.272 ( 12.458 5.771 1.270) 13.789 20.004 ( -8.522 -5.227 -10.717) 14.656 20.928 ( 10.326 -0.301 -9.292) 13.895 22.312 ( -6.198 -2.901 0.534) 6.864 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -16.883 8.187 3.894) 19.163 3.055 ( 12.864 8.321 1.526) 15.396 3.939 ( 7.396 11.613 3.002) 14.091 4.994 ( -20.374 -15.382 -4.786) 25.973 5.117 ( -13.185 -5.157 6.867) 15.735 5.416 ( -3.157 -6.534 -19.958) 21.237 6.574 ( 40.184 15.972 8.439) 44.057 6.761 ( -2.371 -0.035 6.955) 7.348 7.323 ( -7.179 1.611 0.361) 7.367 7.674 ( 7.461 -9.898 3.584) 12.903 8.058 ( 0.721 -2.528 -0.814) 2.752 8.463 ( 2.594 15.183 -3.433) 15.781 8.801 ( 10.115 1.272 9.199) 13.731 9.138 ( -1.154 -0.800 0.443) 1.473 9.635 ( -6.598 -7.422 -3.010) 10.377 9.885 ( -8.852 1.331 -3.945) 9.783 10.352 ( -0.903 -4.427 4.554) 6.415 11.194 ( 5.754 7.867 -5.428) 11.156 12.290 ( 6.615 0.185 -4.251) 7.865 12.895 ( -3.787 -6.339 -10.354) 12.717 13.040 ( -12.305 0.956 -7.892) 14.649 13.240 ( 2.245 8.028 0.962) 8.392 14.000 ( -11.610 -14.136 20.217) 27.264 14.822 ( 0.059 3.652 5.501) 6.604 15.741 ( 2.384 1.086 0.555) 2.678 17.560 ( 0.529 2.901 -5.552) 6.286 18.559 ( 11.807 6.644 2.256) 13.735 19.728 ( -9.554 -6.054 -8.528) 14.166 21.019 ( 6.525 -1.629 -5.545) 8.716 22.176 ( -5.972 -2.551 0.019) 6.494 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -15.851 -1.245 -1.619) 15.982 3.313 ( 8.812 0.538 2.571) 9.195 4.259 ( 1.525 21.339 5.195) 22.015 4.582 ( -5.994 -14.078 -6.583) 16.657 4.964 ( -2.529 -4.971 4.404) 7.106 5.230 ( -2.250 -2.163 -8.620) 9.167 6.730 ( -1.425 -2.472 4.288) 5.150 6.921 ( -2.221 2.709 -0.600) 3.554 7.416 ( 4.164 -2.101 0.470) 4.688 7.969 ( 21.351 9.983 -0.479) 23.575 8.071 ( 4.269 -6.452 3.437) 8.466 8.640 ( 1.131 17.414 4.572) 18.040 8.959 ( -4.835 -9.231 -4.897) 11.514 9.063 ( 1.697 0.293 5.639) 5.897 9.369 ( -8.925 -5.381 -2.494) 10.716 9.751 ( -3.279 -0.388 -3.714) 4.969 10.313 ( -1.511 -1.643 1.993) 2.992 11.288 ( 1.716 2.666 -1.915) 3.704 12.341 ( 2.038 -0.771 -1.304) 2.539 12.777 ( 1.008 -4.545 -2.699) 5.381 12.847 ( -7.312 2.838 -3.448) 8.568 13.452 ( 10.964 14.544 -9.881) 20.722 13.743 ( -13.391 -16.227 17.420) 27.314 14.876 ( 0.296 1.553 1.468) 2.157 15.777 ( 0.721 0.334 0.153) 0.809 17.573 ( 0.644 1.121 -1.719) 2.150 18.803 ( 6.693 4.258 2.061) 8.196 19.486 ( -5.999 -3.980 -4.368) 8.420 21.057 ( 2.211 -0.916 -1.930) 3.075 22.080 ( -2.525 -1.000 -0.054) 2.716 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 44.530 32.036 18.115) 57.770 1.055 ( 6.554 31.259 33.520) 46.300 1.835 ( -24.548 73.335 26.342) 81.698 5.358 ( 0.168 -15.737 -14.703) 21.538 6.020 ( -4.183 -27.627 -20.096) 34.418 6.731 ( -1.448 -13.759 12.373) 18.560 6.847 ( 4.135 -19.798 -2.020) 20.326 7.120 ( -5.423 15.629 -14.283) 21.856 7.173 ( -3.223 -14.722 16.770) 22.547 7.591 ( 10.034 21.558 12.043) 26.654 8.091 ( -4.013 -4.959 2.528) 6.862 8.158 ( 11.053 -1.873 4.832) 12.208 8.608 ( -1.908 -3.985 2.054) 4.872 9.018 ( -0.451 1.748 2.668) 3.222 9.545 ( -10.701 2.319 -13.089) 17.065 9.701 ( 2.046 5.425 1.141) 5.909 10.329 ( 0.050 26.171 -6.784) 27.036 10.488 ( 4.447 -6.941 8.055) 11.525 12.018 ( -5.400 1.212 -2.983) 6.287 13.143 ( 7.383 12.978 -41.245) 43.865 13.770 ( -0.994 -6.684 -2.995) 7.392 13.964 ( -1.761 -11.797 1.226) 11.991 14.148 ( -0.368 7.808 -2.374) 8.169 14.779 ( 2.480 -17.738 34.133) 38.546 15.438 ( -0.431 4.628 -0.438) 4.669 17.793 ( -1.321 1.811 0.207) 2.251 17.841 ( 5.784 5.897 0.454) 8.273 20.061 ( -4.484 49.019 -83.275) 96.735 20.543 ( -0.976 5.336 -3.718) 6.577 22.429 ( 0.023 -6.786 -1.072) 6.871 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 6.335 30.587 33.820) 46.038 1.928 ( 19.474 32.064 29.370) 47.644 2.723 ( 37.380 53.561 6.585) 65.646 4.996 ( -11.414 -13.225 -13.469) 22.059 5.570 ( 0.909 -31.172 -19.122) 36.581 6.409 ( -18.961 -12.124 0.754) 22.518 6.702 ( -11.971 -9.574 3.401) 15.701 6.880 ( -7.663 -2.041 -9.350) 12.260 7.212 ( 4.576 -15.790 6.184) 17.565 7.923 ( 0.227 11.274 7.894) 13.765 8.014 ( -0.144 5.089 3.899) 6.412 8.341 ( 3.525 -0.089 8.805) 9.484 8.496 ( -3.769 -4.000 -3.263) 6.392 9.049 ( 0.152 1.930 2.679) 3.305 9.499 ( 8.445 3.191 -15.276) 17.744 9.860 ( 5.840 5.971 8.951) 12.242 10.470 ( -2.843 13.548 -1.967) 13.982 10.619 ( 6.873 6.232 0.691) 9.303 11.952 ( 1.416 0.688 -7.455) 7.619 13.168 ( 6.182 0.759 -23.372) 24.188 13.519 ( -9.567 -12.786 -3.838) 16.424 13.989 ( -0.194 -1.317 0.821) 1.564 14.034 ( -7.402 0.651 2.256) 7.766 14.814 ( -0.979 -16.928 29.191) 33.759 15.554 ( 4.997 7.309 1.308) 8.949 17.791 ( -4.703 6.627 -4.534) 9.305 17.948 ( 1.641 8.446 3.025) 9.120 20.068 ( 6.435 12.827 -42.816) 45.157 20.591 ( 4.094 6.850 -8.459) 11.629 22.369 ( 2.429 -9.015 -2.479) 9.660 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -1.303 29.246 34.310) 45.102 2.689 ( 12.694 39.559 9.391) 42.594 3.656 ( 19.111 -1.426 1.482) 19.222 4.886 ( 19.329 13.160 -3.001) 23.576 5.218 ( 4.043 -28.249 -14.285) 31.912 5.958 ( -18.165 -7.841 -3.694) 20.127 6.158 ( -32.158 -3.727 -7.515) 33.234 6.808 ( 1.341 -5.297 1.924) 5.792 7.194 ( 11.543 -19.358 5.489) 23.197 7.875 ( -14.788 -0.342 2.353) 14.977 8.165 ( 0.979 7.064 6.927) 9.942 8.400 ( -1.584 9.979 -8.721) 13.347 8.479 ( 7.530 -2.986 8.129) 11.476 9.097 ( 1.693 1.109 1.939) 2.803 9.595 ( 7.136 2.018 -11.111) 13.359 10.083 ( 3.512 5.233 11.167) 12.823 10.464 ( -8.556 7.982 0.101) 11.702 10.843 ( 12.042 6.232 -4.403) 14.256 11.992 ( 7.335 1.588 -8.106) 11.047 13.074 ( -1.617 -1.618 -22.555) 22.670 13.230 ( -6.084 -12.817 3.272) 14.560 13.727 ( -22.789 9.985 -0.677) 24.889 14.132 ( 8.125 -10.254 8.107) 15.391 14.767 ( -1.213 -21.107 25.251) 32.933 15.728 ( 2.307 11.436 2.241) 11.880 17.708 ( -9.152 11.346 -8.551) 16.900 18.155 ( 9.415 8.237 3.802) 13.075 19.961 ( -1.737 -1.627 -21.671) 21.802 20.706 ( 8.539 4.809 -10.688) 14.501 22.283 ( 0.704 -10.265 -3.182) 10.770 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -18.672 28.335 18.586) 38.690 3.029 ( -3.166 6.771 -1.489) 7.622 3.833 ( 17.552 6.043 8.794) 20.541 4.913 ( -3.808 -26.705 -3.941) 27.262 5.236 ( 4.934 -9.140 -12.861) 16.531 5.491 ( -25.604 -2.348 -8.573) 27.103 6.185 ( 29.201 28.133 6.217) 41.022 6.797 ( 1.004 -4.038 2.864) 5.051 7.288 ( 13.280 -17.720 8.056) 23.564 7.569 ( -12.792 -1.870 -4.599) 13.722 8.134 ( -8.599 -0.074 2.748) 9.028 8.548 ( 5.532 15.050 -1.882) 16.144 8.686 ( 10.347 2.553 5.394) 11.945 9.141 ( 0.752 0.684 1.493) 1.806 9.615 ( 0.242 -0.815 -7.217) 7.267 10.083 ( -12.525 2.232 -0.587) 12.736 10.435 ( -3.672 3.951 8.144) 9.768 11.061 ( 10.707 2.396 -4.604) 11.898 12.121 ( 9.597 2.859 -7.265) 12.372 12.822 ( -5.086 -6.621 -16.875) 18.828 13.119 ( -1.750 -3.463 -0.152) 3.884 13.468 ( -16.830 10.394 -0.056) 19.780 14.132 ( -4.167 -12.824 15.129) 20.266 14.699 ( 5.153 -23.726 17.519) 29.940 15.873 ( -2.301 15.363 0.727) 15.552 17.631 ( -6.059 10.063 -7.200) 13.777 18.454 ( 11.333 9.519 4.444) 15.453 19.743 ( -6.141 -5.197 -14.188) 16.310 20.832 ( 8.842 1.972 -8.570) 12.471 22.157 ( -0.612 -10.551 -3.346) 11.086 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -39.112 14.432 1.106) 41.704 3.174 ( 9.378 0.199 9.848) 13.601 4.323 ( 15.320 10.352 3.014) 18.734 4.516 ( -10.718 -15.249 -4.493) 19.173 5.053 ( -9.345 -5.698 -2.956) 11.337 5.196 ( -0.677 1.966 -5.932) 6.286 6.727 ( 1.265 -2.049 0.880) 2.563 6.917 ( 7.374 -0.098 2.274) 7.717 7.288 ( 7.646 0.905 0.841) 7.745 7.631 ( 19.862 -3.523 2.796) 20.365 8.037 ( -2.373 5.167 -1.905) 5.997 8.797 ( 4.389 16.304 3.390) 17.222 8.906 ( 6.394 3.137 1.940) 7.382 9.123 ( -3.975 -1.546 0.642) 4.313 9.476 ( -10.246 -3.732 -3.119) 11.342 9.826 ( -11.341 -0.949 -4.518) 12.245 10.441 ( -6.421 4.937 6.145) 10.166 11.192 ( 7.149 -3.399 -1.667) 8.090 12.252 ( 6.112 0.881 -2.692) 6.736 12.643 ( 2.698 -5.088 -11.920) 13.238 13.015 ( -8.857 3.578 -4.113) 10.401 13.425 ( 0.702 10.562 -3.119) 11.035 13.928 ( -13.418 -16.506 19.196) 28.653 14.682 ( 9.365 -23.659 10.606) 27.567 15.957 ( -6.615 17.895 -2.120) 19.196 17.611 ( -2.684 6.708 -2.988) 7.818 18.755 ( 8.279 8.208 5.079) 12.716 19.508 ( -5.642 -4.215 -9.744) 12.022 20.947 ( 7.458 1.470 -5.251) 9.239 22.032 ( 0.720 -9.659 -3.157) 10.187 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -22.363 20.529 6.155) 30.975 3.354 ( 5.077 -2.072 5.803) 7.983 4.047 ( -8.529 -23.270 -9.020) 26.374 4.626 ( 2.964 6.534 1.188) 7.273 4.999 ( 0.163 7.496 -2.508) 7.906 5.253 ( 4.454 3.689 7.719) 9.646 6.684 ( 0.483 -1.391 -5.457) 5.652 6.857 ( -0.537 -8.413 0.104) 8.431 7.428 ( 4.071 1.702 -0.330) 4.425 7.953 ( 15.277 -11.058 7.497) 20.295 8.189 ( 4.404 15.455 -7.910) 17.911 8.632 ( -27.065 -9.472 -8.684) 29.961 9.044 ( 2.629 11.554 5.596) 13.105 9.183 ( -6.182 7.234 0.753) 9.545 9.259 ( 4.267 -0.381 -1.259) 4.465 9.726 ( 1.109 -1.243 2.041) 2.634 10.412 ( -5.952 7.844 1.793) 10.009 11.220 ( 3.549 -9.392 1.921) 10.222 12.323 ( 4.264 -2.168 1.414) 4.988 12.681 ( 9.163 0.523 -4.296) 10.134 12.893 ( -6.248 5.545 -3.659) 9.120 13.582 ( 2.746 -0.169 -2.174) 3.506 13.628 ( -9.157 -3.914 7.254) 12.320 14.656 ( 8.632 -24.448 7.219) 26.913 15.978 ( -9.386 17.968 -4.106) 20.684 17.620 ( -2.088 3.869 1.225) 4.564 18.866 ( -3.988 -1.375 1.621) 4.519 19.444 ( 4.638 4.068 -1.640) 6.384 21.054 ( 4.594 2.870 -1.391) 5.592 21.970 ( 4.862 -7.720 -3.184) 9.663 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -4.473 22.810 8.872) 24.880 3.248 ( -17.716 -9.176 3.702) 20.291 3.758 ( 8.110 -16.752 -6.429) 19.691 4.762 ( 9.452 -3.591 8.767) 13.383 5.049 ( 3.392 13.284 -13.750) 19.417 5.510 ( 7.759 6.899 16.940) 19.868 6.665 ( 1.950 -2.444 -7.531) 8.154 6.785 ( 0.547 -6.481 -3.750) 7.507 7.474 ( -15.823 1.718 -2.062) 16.049 7.749 ( -18.908 -7.581 -6.940) 21.521 8.077 ( 5.488 -7.433 3.250) 9.794 8.425 ( -0.423 3.727 -5.663) 6.793 8.941 ( -13.832 1.389 -4.791) 14.704 9.177 ( -1.866 5.886 3.416) 7.057 9.563 ( 12.694 10.083 1.492) 16.280 9.792 ( 4.286 -1.909 4.857) 6.753 10.437 ( -2.585 11.062 -0.765) 11.385 11.154 ( 0.488 -15.093 5.025) 15.915 12.365 ( 0.360 -2.158 2.587) 3.388 12.867 ( 9.749 0.298 4.965) 10.944 12.927 ( 5.430 9.936 -2.260) 11.546 13.300 ( -11.922 -11.955 10.725) 20.002 13.814 ( 10.947 12.567 -17.657) 24.281 14.578 ( 7.093 -25.393 4.317) 26.716 15.943 ( -10.905 15.371 -4.494) 19.375 17.630 ( -2.800 3.148 4.857) 6.430 18.681 ( -10.496 -6.603 -0.191) 12.402 19.657 ( 10.115 6.868 3.805) 12.805 21.128 ( -0.419 3.353 1.899) 3.876 22.013 ( 9.656 -4.875 -3.614) 11.404 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -18.753 16.118 7.055) 25.715 2.706 ( -25.614 -24.773 4.431) 35.909 3.881 ( 15.063 1.826 -0.308) 15.176 4.964 ( 18.182 -10.004 -1.032) 20.779 5.356 ( 20.722 16.822 -5.962) 27.349 5.820 ( 7.252 7.193 18.334) 20.987 6.170 ( -52.111 -7.406 -8.826) 53.370 6.692 ( 2.095 1.213 -7.775) 8.143 7.127 ( 9.385 -12.428 -5.976) 16.681 7.842 ( 10.529 4.859 -1.626) 11.709 8.084 ( 0.354 -5.194 4.025) 6.580 8.339 ( -9.788 2.479 -2.116) 10.316 8.708 ( -11.884 3.329 -4.236) 13.048 9.176 ( -4.540 2.967 1.282) 5.573 9.791 ( 2.306 3.838 2.360) 5.061 9.877 ( 5.394 -0.633 -0.269) 5.438 10.509 ( -3.182 13.380 -1.563) 13.842 10.996 ( -3.198 -19.654 7.536) 21.291 12.305 ( -5.616 -2.139 1.056) 6.101 13.018 ( 3.380 -5.199 3.901) 7.326 13.202 ( 11.080 5.352 14.344) 18.898 13.235 ( 7.699 9.678 -0.505) 12.377 13.994 ( 9.514 9.703 -18.349) 22.833 14.455 ( 6.806 -25.014 -0.215) 25.925 15.853 ( -11.647 10.698 -3.753) 16.254 17.657 ( -2.672 4.582 7.645) 9.305 18.416 ( -11.618 -7.583 0.466) 13.882 19.930 ( 10.907 5.196 4.937) 13.051 21.118 ( -5.367 1.634 3.235) 6.476 22.143 ( 11.234 -2.182 -3.735) 12.038 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -34.903 18.371 9.816) 40.645 1.974 ( -31.515 -29.612 9.748) 44.329 4.003 ( -20.133 -5.017 -11.167) 23.563 4.938 ( -11.201 -5.234 0.787) 12.389 5.437 ( 15.023 0.178 -13.418) 20.143 6.045 ( 25.737 16.137 4.819) 30.758 6.120 ( 7.797 5.337 16.459) 18.978 6.749 ( 7.673 0.916 -4.378) 8.882 7.206 ( 16.025 -12.086 -8.312) 21.725 7.983 ( 0.604 -3.004 1.955) 3.635 8.034 ( -9.534 3.652 -0.080) 10.210 8.188 ( -3.989 1.311 3.500) 5.466 8.570 ( -5.476 4.557 -3.638) 7.999 9.112 ( -4.824 0.710 -0.546) 4.907 9.787 ( -3.941 -3.377 4.138) 6.638 9.893 ( -1.483 0.279 -7.170) 7.327 10.558 ( -6.981 14.759 -0.474) 16.333 10.758 ( -6.517 -19.445 7.810) 21.944 12.176 ( -6.314 -0.293 -2.821) 6.922 13.082 ( 8.942 -5.201 6.160) 12.040 13.549 ( 11.535 0.938 19.855) 22.982 13.567 ( 11.679 20.936 -6.836) 24.929 14.094 ( 4.426 -0.563 -5.928) 7.420 14.342 ( 9.445 -16.223 -10.406) 21.464 15.713 ( -11.246 5.089 -2.412) 12.577 17.724 ( -1.905 6.783 7.926) 10.605 18.147 ( -10.711 -7.884 0.738) 13.320 20.183 ( 10.215 2.880 4.121) 11.385 21.025 ( -7.815 -0.272 2.517) 8.215 22.286 ( 9.055 -0.842 -2.952) 9.561 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -34.539 -22.461 15.055) 43.864 1.419 ( -40.627 22.720 21.479) 51.265 2.854 ( -75.172 -2.284 -16.991) 77.102 5.157 ( 22.823 -0.338 -0.273) 22.827 5.819 ( 28.557 2.352 -6.147) 29.306 6.373 ( 10.605 -0.778 4.179) 11.425 6.574 ( 19.279 1.230 3.258) 19.591 6.917 ( 11.052 -0.449 0.294) 11.065 7.312 ( 8.453 -1.474 -8.326) 11.956 7.775 ( -18.089 -0.369 6.472) 19.215 7.952 ( -1.918 0.257 1.117) 2.234 8.220 ( -2.317 1.601 4.262) 5.108 8.552 ( 2.213 -0.551 -2.557) 3.426 9.036 ( -3.307 0.112 -0.923) 3.435 9.684 ( -4.476 -0.941 0.446) 4.596 9.782 ( -5.086 -0.833 -5.417) 7.477 10.486 ( -7.113 -12.803 0.295) 14.649 10.567 ( -11.362 12.937 4.280) 17.742 12.067 ( -3.342 0.445 -4.789) 5.857 13.290 ( 13.154 -1.303 7.200) 15.052 13.774 ( 6.212 0.308 -2.257) 6.617 13.916 ( 8.854 15.434 -0.946) 17.819 14.032 ( 3.049 -18.726 -0.851) 18.992 14.411 ( 7.867 4.333 3.061) 9.489 15.552 ( -8.813 0.490 -0.800) 8.862 17.803 ( -1.762 6.529 3.578) 7.651 17.912 ( -7.631 -6.984 0.257) 10.348 20.373 ( 7.913 0.070 0.295) 7.919 20.890 ( -6.727 -0.426 -4.943) 8.358 22.399 ( 5.601 0.361 -0.006) 5.613 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -15.618 31.019 -5.799) 35.210 1.545 ( -7.018 23.439 32.237) 40.470 3.260 ( -38.061 58.139 25.758) 74.110 4.990 ( 10.257 -13.950 -14.744) 22.742 5.741 ( -3.892 -25.076 -13.667) 28.822 6.282 ( 21.112 -17.468 -5.982) 28.047 6.622 ( 17.369 -8.766 5.711) 20.276 7.019 ( 8.158 -9.689 11.440) 17.068 7.308 ( -8.441 -7.016 -7.345) 13.208 7.727 ( -0.847 12.696 -1.746) 12.843 7.992 ( 1.613 3.252 4.458) 5.749 8.185 ( -1.020 -0.185 0.883) 1.361 8.587 ( -0.087 -0.859 1.363) 1.614 9.082 ( -1.315 3.303 4.251) 5.542 9.675 ( -6.729 -2.462 1.873) 7.406 9.856 ( -8.296 6.589 0.303) 10.598 10.439 ( -7.905 -6.068 -5.116) 11.202 10.509 ( 6.821 23.841 -1.215) 24.828 12.117 ( -2.194 4.754 0.504) 5.261 12.953 ( -3.368 -4.563 -27.763) 28.336 13.580 ( 7.833 -8.748 -7.090) 13.717 13.972 ( 8.601 -1.947 0.470) 8.832 14.032 ( -1.292 -4.478 -0.202) 4.665 14.774 ( 2.672 -14.226 29.693) 33.033 15.578 ( -5.426 9.099 1.930) 10.768 17.694 ( 11.227 7.676 -7.638) 15.598 17.914 ( -7.988 3.629 -0.074) 8.773 20.141 ( -3.719 8.623 -31.392) 32.766 20.681 ( -8.076 14.434 -11.836) 20.338 22.369 ( -2.336 -8.851 -2.436) 9.473 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 39.154 27.280 21.344) 52.276 2.043 ( 8.264 31.431 25.594) 41.367 3.444 ( -22.160 53.730 17.015) 60.560 4.890 ( 2.255 -7.910 -9.279) 12.399 5.251 ( -11.515 -22.896 -20.194) 32.628 6.277 ( 7.220 -23.314 -5.470) 25.012 6.701 ( 0.084 -9.023 4.207) 9.956 6.965 ( -2.880 -14.737 4.963) 15.815 7.132 ( -8.596 -5.367 -4.631) 11.142 7.981 ( 15.063 -4.891 8.571) 18.008 8.062 ( 2.088 2.369 1.707) 3.590 8.166 ( 3.095 1.266 -0.604) 3.398 8.541 ( -5.740 1.325 1.218) 6.016 9.123 ( -1.216 3.663 4.763) 6.130 9.450 ( -7.261 3.391 -12.102) 14.515 9.944 ( 1.279 12.379 6.657) 14.113 10.352 ( 6.331 -4.386 -3.699) 8.544 10.826 ( 0.598 19.917 1.815) 20.008 12.014 ( -9.846 5.319 -7.520) 13.483 12.870 ( 10.491 -1.494 -19.905) 22.550 13.549 ( -6.960 -10.303 -4.060) 13.079 13.690 ( 6.378 -15.484 0.967) 16.774 14.298 ( 2.385 8.946 -1.696) 9.413 14.826 ( -0.863 -15.779 27.631) 31.831 15.603 ( -2.011 10.384 3.910) 11.277 17.847 ( -1.993 2.685 1.125) 3.528 17.981 ( 10.506 7.892 -1.568) 13.233 19.964 ( -4.687 15.265 -37.908) 41.134 20.644 ( -4.712 11.700 -8.250) 15.072 22.215 ( -0.123 -11.910 -2.999) 12.283 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 8.114 29.623 22.824) 38.266 2.741 ( 34.830 13.744 30.341) 48.193 3.646 ( -8.691 22.756 -4.142) 24.709 4.737 ( -4.734 -18.555 -22.099) 29.241 4.944 ( 2.708 17.958 3.181) 18.437 6.015 ( -6.799 -21.094 -2.197) 22.271 6.579 ( -23.621 -2.364 -7.943) 25.032 6.659 ( 1.550 -9.467 -9.590) 13.565 6.946 ( 3.787 -20.076 15.508) 25.649 8.001 ( -5.266 -12.260 -1.345) 13.410 8.206 ( 8.838 6.509 5.826) 12.426 8.310 ( 10.836 -7.332 2.510) 13.322 8.497 ( -5.712 9.869 0.117) 11.404 9.158 ( -2.174 4.059 4.057) 6.137 9.429 ( 6.155 7.389 -14.867) 17.706 10.161 ( 3.352 10.197 10.254) 14.845 10.460 ( 10.626 -1.770 -5.311) 12.010 10.930 ( -7.959 13.520 2.439) 15.878 11.911 ( -1.437 6.677 -10.482) 12.511 12.890 ( 5.488 -4.437 -15.157) 16.719 13.237 ( -8.551 -12.004 -0.760) 14.758 13.806 ( 16.179 -13.049 2.725) 20.963 14.229 ( -19.212 12.563 -1.459) 23.001 14.766 ( -3.922 -20.672 25.997) 33.445 15.780 ( 5.105 10.100 7.197) 13.412 17.868 ( -1.693 4.804 -1.001) 5.191 18.179 ( 4.152 10.712 0.840) 11.519 19.822 ( -0.758 5.895 -30.403) 30.979 20.649 ( -0.646 9.410 -8.871) 12.948 22.093 ( 2.902 -14.246 -3.675) 14.996 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -2.008 13.605 17.318) 22.114 3.405 ( -14.307 17.992 1.574) 23.041 3.601 ( 18.617 -0.154 16.181) 24.667 4.555 ( 14.282 -11.896 -16.159) 24.629 5.114 ( -8.985 0.191 1.630) 9.133 5.700 ( -11.729 -9.708 -11.879) 19.312 6.242 ( -1.068 21.245 0.292) 21.274 6.644 ( 7.547 -9.142 -3.426) 12.340 6.993 ( 10.169 -11.932 12.225) 19.881 7.674 ( -11.516 -15.801 -6.405) 20.575 8.326 ( -5.953 -1.628 5.903) 8.540 8.497 ( 10.688 3.839 7.064) 13.375 8.573 ( 7.394 9.765 -4.469) 13.038 9.197 ( -1.198 6.490 1.123) 6.695 9.527 ( 5.397 3.830 -9.806) 11.830 10.288 ( -5.877 5.249 1.142) 7.962 10.563 ( 3.093 0.487 4.778) 5.713 10.938 ( -0.456 4.929 -0.388) 4.965 11.970 ( 6.576 7.603 -9.825) 14.057 12.737 ( -4.731 -8.162 -14.343) 17.167 13.082 ( 0.356 -5.777 1.305) 5.933 13.932 ( -9.976 2.680 -0.207) 10.332 13.984 ( -0.648 -3.912 3.469) 5.269 14.601 ( -7.001 -24.161 25.370) 35.727 16.014 ( 3.878 10.944 7.209) 13.666 17.832 ( -7.663 9.153 -5.347) 13.080 18.422 ( 8.912 12.806 3.848) 16.070 19.659 ( -1.890 -2.978 -20.792) 21.089 20.704 ( 3.810 7.142 -9.149) 12.216 21.972 ( 2.977 -15.622 -4.090) 16.421 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -20.615 -5.010 0.194) 21.216 3.283 ( -12.499 15.854 7.136) 21.413 4.110 ( 15.841 -1.050 10.458) 19.011 4.573 ( -5.319 1.469 -0.524) 5.544 4.950 ( 7.068 -5.954 -4.386) 10.230 5.291 ( -12.538 -4.778 -9.246) 16.295 6.653 ( 6.135 -0.605 -4.034) 7.368 6.726 ( 14.945 5.784 4.185) 16.563 7.189 ( 8.391 -0.599 5.408) 10.000 7.329 ( 2.604 -13.672 -5.429) 14.939 8.212 ( -9.054 6.553 1.421) 11.267 8.735 ( 11.497 1.381 2.616) 11.872 8.854 ( 11.194 9.833 4.426) 15.543 9.245 ( -3.413 9.067 -0.037) 9.689 9.536 ( -2.079 0.731 -5.320) 5.759 10.071 ( -17.772 1.135 -5.938) 18.772 10.638 ( -3.570 4.125 9.176) 10.675 10.995 ( 6.949 -5.780 -1.168) 9.114 12.135 ( 8.277 7.172 -6.352) 12.661 12.482 ( -2.414 -9.497 -12.202) 15.650 13.083 ( 1.223 0.463 -1.830) 2.249 13.666 ( -18.129 9.194 -1.776) 20.404 14.028 ( 1.900 -11.910 8.005) 14.475 14.392 ( -2.293 -26.898 21.043) 34.228 16.197 ( -1.002 13.289 3.855) 13.873 17.761 ( -7.025 9.592 -4.735) 12.798 18.748 ( 8.899 12.586 6.368) 16.678 19.459 ( -2.709 -5.643 -14.796) 16.065 20.810 ( 6.830 5.702 -7.027) 11.337 21.842 ( 3.232 -15.599 -4.058) 16.439 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -22.913 9.342 5.900) 25.438 3.277 ( -1.663 3.473 1.202) 4.034 4.018 ( -12.364 -16.584 1.961) 20.778 4.634 ( 2.668 6.462 -3.580) 7.855 5.024 ( 3.114 2.685 1.457) 4.362 5.235 ( 6.127 4.467 1.922) 7.822 6.645 ( -1.711 -1.906 -6.736) 7.207 6.731 ( 0.957 -14.386 -1.200) 14.468 7.313 ( 9.357 -2.676 -3.602) 10.378 7.532 ( 18.961 -8.035 6.378) 21.559 8.262 ( 0.762 18.254 -4.052) 18.714 8.924 ( 1.000 2.641 -1.821) 3.360 9.130 ( 1.465 2.672 4.543) 5.471 9.220 ( -6.404 12.681 7.064) 15.866 9.421 ( -7.573 3.262 -5.263) 9.782 9.763 ( -9.578 -0.405 -3.658) 10.260 10.627 ( -7.375 7.198 2.359) 10.572 11.021 ( 6.725 -14.815 3.212) 16.584 12.206 ( 2.741 -6.963 -0.863) 7.532 12.475 ( 12.329 5.337 -9.104) 16.229 13.050 ( -6.379 4.183 -4.248) 8.731 13.537 ( -2.253 3.359 -2.865) 4.956 13.871 ( -13.998 -6.991 11.999) 19.718 14.284 ( 8.210 -27.045 10.837) 30.270 16.285 ( -6.547 15.539 -0.775) 16.880 17.733 ( -4.100 7.350 -0.515) 8.433 18.941 ( -2.894 0.702 5.055) 5.867 19.369 ( 5.830 3.301 -7.765) 10.255 20.967 ( 7.943 6.199 -3.243) 10.585 21.740 ( 5.670 -14.041 -4.431) 15.778 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -11.364 24.868 10.664) 29.348 3.338 ( 8.817 -3.116 -0.539) 9.367 3.561 ( -21.102 -17.282 1.796) 27.335 4.686 ( 1.359 -3.579 4.067) 5.586 5.071 ( -0.138 9.448 -11.252) 14.693 5.480 ( 11.133 3.155 11.634) 16.409 6.549 ( 2.416 -2.236 -8.775) 9.372 6.654 ( 1.485 -8.102 -1.494) 8.372 7.403 ( 10.289 -3.491 -2.595) 11.171 7.765 ( 14.122 -13.293 1.846) 19.481 8.316 ( -27.931 5.889 -6.381) 29.249 8.523 ( -16.433 5.959 -3.748) 17.877 9.180 ( -8.561 3.157 -1.963) 9.334 9.326 ( 0.462 10.814 4.827) 11.852 9.479 ( 6.450 11.879 0.626) 13.531 9.732 ( 3.633 -1.963 4.412) 6.043 10.591 ( -3.931 6.320 -2.161) 7.750 10.972 ( 3.742 -17.934 6.207) 19.343 12.233 ( 9.047 -8.098 1.711) 12.262 12.751 ( 12.777 9.252 -0.824) 15.796 12.950 ( -4.176 4.971 -5.387) 8.436 13.476 ( -9.270 -9.420 9.576) 16.321 13.726 ( -0.735 9.992 -7.786) 12.688 14.213 ( 7.741 -26.633 6.598) 28.509 16.273 ( -10.919 15.258 -3.961) 19.176 17.754 ( -2.620 6.079 3.901) 7.684 18.781 ( -9.329 -8.637 1.689) 12.825 19.568 ( 9.846 7.763 -0.650) 12.555 21.135 ( 4.445 5.219 0.189) 6.858 21.729 ( 10.947 -9.373 -5.374) 15.381 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -12.488 31.302 14.570) 36.716 2.989 ( -27.339 -18.265 6.934) 33.602 3.518 ( 18.164 -6.165 -2.983) 19.413 4.640 ( 5.706 -15.169 4.112) 16.720 5.224 ( 9.337 20.148 -12.836) 25.649 5.769 ( 12.874 -1.596 10.708) 16.821 6.530 ( -1.698 -2.058 0.691) 2.757 6.642 ( 6.266 0.389 -8.702) 10.730 7.297 ( -46.730 -6.898 -12.800) 48.940 7.604 ( 15.248 -3.035 -1.599) 15.629 7.967 ( 2.704 -10.119 9.655) 14.245 8.480 ( -5.417 7.051 -4.785) 10.097 8.992 ( -13.654 7.222 -6.181) 16.638 9.373 ( -9.657 7.563 2.628) 12.545 9.735 ( 10.286 6.480 -1.641) 12.267 9.817 ( 2.711 -2.254 9.007) 9.673 10.594 ( 3.109 -3.528 -1.968) 5.098 10.895 ( -1.212 -8.071 6.429) 10.389 12.306 ( 3.421 -4.525 0.865) 5.738 12.949 ( 4.493 2.029 1.990) 5.316 13.120 ( 14.580 9.930 -0.178) 17.641 13.279 ( -7.929 -1.303 8.130) 11.431 13.850 ( 7.518 11.516 -12.446) 18.549 14.095 ( 5.673 -26.541 3.963) 27.428 16.165 ( -13.683 11.297 -4.815) 18.386 17.808 ( -2.212 6.806 6.078) 9.389 18.523 ( -10.520 -10.592 2.459) 15.130 19.807 ( 10.593 4.571 0.465) 11.546 21.184 ( -1.260 -0.309 -1.176) 1.751 21.874 ( 14.247 -1.320 -3.743) 14.790 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -31.109 -20.002 13.180) 39.263 2.722 ( -31.814 30.022 19.115) 47.737 3.757 ( 21.039 -10.906 -9.019) 25.356 4.787 ( 20.043 -4.695 2.803) 20.775 5.474 ( -0.118 11.498 -16.398) 20.028 5.997 ( 11.233 -4.904 2.319) 12.474 6.233 ( -34.531 6.736 3.639) 35.370 6.611 ( 3.286 -4.283 1.085) 5.506 6.843 ( 11.445 2.556 -8.164) 14.289 7.834 ( 12.533 -3.843 -0.861) 13.137 7.984 ( 4.649 -9.750 8.931) 14.015 8.390 ( -8.976 5.057 -1.274) 10.381 8.792 ( -13.488 6.834 -6.695) 16.536 9.233 ( -8.887 -1.102 -1.060) 9.017 9.852 ( 1.973 -1.547 -0.053) 2.508 9.878 ( -2.528 2.307 4.683) 5.800 10.556 ( 3.739 -16.885 2.681) 17.500 10.880 ( -5.448 10.863 2.242) 12.358 12.259 ( -4.760 0.713 -4.283) 6.443 12.992 ( 1.482 -2.327 4.398) 5.191 13.393 ( 11.492 4.797 -2.884) 12.782 13.494 ( 15.647 6.904 7.943) 18.857 13.928 ( 3.177 -22.675 1.728) 22.961 14.072 ( 9.974 12.859 -4.616) 16.916 15.972 ( -14.562 4.493 -3.776) 15.700 17.874 ( -1.836 5.947 3.693) 7.237 18.251 ( -11.098 -9.113 3.533) 14.788 20.024 ( 11.227 0.797 -0.505) 11.266 21.097 ( -4.153 -2.236 -5.878) 7.537 22.100 ( 11.790 2.282 -0.568) 12.022 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -32.059 -13.438 21.034) 40.630 2.442 ( -40.386 16.151 15.753) 46.261 3.744 ( -17.676 4.786 -10.491) 21.104 4.939 ( -10.111 4.238 -1.533) 11.070 5.396 ( 18.848 6.962 -4.133) 20.514 6.106 ( 11.436 -7.012 -11.162) 17.451 6.211 ( 18.815 -16.035 2.226) 24.821 6.717 ( 7.426 -2.047 5.519) 9.476 7.162 ( 14.536 19.216 -1.338) 24.132 7.836 ( 0.245 -14.187 2.363) 14.385 8.060 ( -0.721 -0.403 3.539) 3.634 8.328 ( -3.681 5.275 7.144) 9.613 8.556 ( -10.214 -3.356 -7.954) 13.374 9.096 ( -4.118 -0.340 -1.360) 4.350 9.795 ( -4.695 2.411 -9.860) 11.184 9.857 ( -4.924 0.808 11.815) 12.826 10.442 ( -1.139 -12.672 2.618) 12.990 10.893 ( -9.358 13.120 -1.255) 16.164 12.135 ( -6.593 3.539 -7.003) 10.248 13.119 ( 10.408 0.079 7.211) 12.663 13.529 ( 9.661 -2.794 -20.360) 22.709 13.724 ( 5.453 -20.209 0.359) 20.935 13.914 ( 10.823 4.348 12.959) 17.435 14.420 ( 9.499 15.476 10.295) 20.874 15.725 ( -12.468 -2.143 -1.685) 12.763 17.833 ( -3.294 -7.853 -5.134) 9.944 18.069 ( -9.193 5.370 5.419) 11.947 20.188 ( 10.046 -2.692 -4.378) 11.285 20.946 ( -6.150 1.484 -11.513) 13.137 22.301 ( 8.250 1.874 2.160) 8.731 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -22.792 20.894 -5.412) 31.391 2.135 ( -20.018 14.017 23.730) 34.063 4.087 ( 3.269 0.787 -3.865) 5.123 4.996 ( -20.789 14.140 8.136) 26.426 5.556 ( -7.806 -2.773 -2.376) 8.618 5.731 ( 17.024 -11.100 -14.602) 25.025 6.133 ( 32.564 -3.415 7.468) 33.583 6.869 ( 4.158 -8.826 7.925) 12.569 7.260 ( -4.324 -15.246 -1.755) 15.944 7.900 ( -12.969 -1.180 -9.108) 15.891 8.026 ( -1.554 -5.465 -2.249) 6.110 8.169 ( 9.598 16.865 2.745) 19.598 8.651 ( -3.110 4.427 5.098) 7.434 9.157 ( 0.001 2.856 4.825) 5.607 9.776 ( -2.205 2.241 2.980) 4.332 9.978 ( -0.276 -0.808 1.553) 1.772 10.560 ( -6.518 6.117 -8.221) 12.144 10.582 ( -4.965 3.377 -3.131) 6.772 12.195 ( -0.198 7.552 -0.490) 7.570 12.827 ( -6.425 -7.956 -20.223) 22.662 13.291 ( 8.256 -11.598 -6.807) 15.780 13.648 ( 23.183 3.576 3.550) 23.724 14.140 ( -13.461 -10.762 -0.697) 17.248 14.732 ( 5.444 -16.016 27.755) 32.504 15.781 ( -1.400 14.446 4.760) 15.274 17.564 ( 5.826 6.959 -9.106) 12.857 18.128 ( -12.059 4.846 -1.450) 13.077 20.007 ( 4.704 -2.057 -15.661) 16.481 20.886 ( -6.309 12.841 -9.594) 17.226 22.282 ( -0.243 -10.221 -2.748) 10.586 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 6.020 34.573 7.937) 35.980 2.381 ( 3.120 25.631 22.903) 34.514 4.026 ( -3.178 -5.736 -5.626) 8.640 4.876 ( -5.425 -3.841 -2.901) 7.252 5.359 ( -18.822 17.878 2.306) 26.062 5.841 ( 12.323 -7.973 -7.431) 16.451 6.574 ( 10.715 -8.023 7.144) 15.173 6.798 ( 3.150 -19.633 8.432) 21.598 7.137 ( 1.858 -5.442 -3.936) 6.968 7.684 ( 2.943 -6.147 -7.609) 10.215 7.926 ( 2.738 -11.960 -4.568) 13.092 8.318 ( -7.974 5.674 4.451) 10.751 8.723 ( -2.138 15.607 0.185) 15.753 9.220 ( -1.150 3.504 6.184) 7.200 9.584 ( -14.146 -4.525 -3.755) 15.319 10.065 ( 2.995 6.990 5.144) 9.181 10.229 ( -1.947 -3.990 -8.497) 9.587 10.921 ( 8.738 15.355 1.443) 17.726 12.218 ( -7.851 7.715 -4.890) 12.044 12.596 ( 3.651 -4.266 -15.799) 16.767 13.316 ( 10.988 -9.943 -4.043) 15.360 13.689 ( -15.878 -15.569 -2.349) 22.361 14.117 ( 21.181 4.139 1.626) 21.643 14.856 ( 2.320 -12.688 27.259) 30.157 15.875 ( -8.136 16.311 5.478) 19.033 17.788 ( 14.276 9.151 -6.478) 18.153 17.974 ( -8.092 2.306 0.081) 8.414 19.925 ( -0.906 1.157 -20.993) 21.045 20.840 ( -7.611 13.725 -9.890) 18.550 22.100 ( -3.059 -13.595 -4.084) 14.521 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 30.041 18.313 24.109) 42.651 2.909 ( 10.142 29.737 14.617) 34.653 3.834 ( -4.709 -8.598 -7.817) 12.538 4.565 ( -9.956 -15.534 -16.730) 24.906 5.437 ( -7.745 32.098 10.502) 34.649 5.840 ( -3.548 -5.310 -0.209) 6.389 6.463 ( -0.709 -14.868 -2.922) 15.169 6.767 ( 1.333 -10.647 3.612) 11.321 6.898 ( -15.884 -9.716 -2.497) 18.786 7.798 ( 4.317 -17.925 -3.842) 18.834 7.901 ( 23.952 -8.922 -1.317) 25.594 8.263 ( -3.251 6.080 2.211) 7.240 8.766 ( -9.542 11.890 2.638) 15.472 9.248 ( -2.129 2.403 4.252) 5.328 9.394 ( -2.370 5.123 -10.341) 11.781 10.209 ( 9.992 -3.192 0.231) 10.492 10.284 ( 2.912 9.904 4.028) 11.081 11.120 ( 0.016 7.590 0.017) 7.590 12.058 ( -11.430 10.828 -11.800) 19.676 12.634 ( 9.838 -5.146 -7.288) 13.281 13.286 ( -11.728 -10.936 -3.100) 16.333 13.427 ( 13.928 -11.187 0.341) 17.868 14.441 ( 8.157 6.386 -0.242) 10.362 14.833 ( -7.524 -13.895 22.627) 27.598 15.955 ( -5.568 15.617 11.029) 19.913 17.920 ( -1.349 2.261 2.425) 3.579 18.091 ( 14.094 6.805 -4.849) 16.385 19.751 ( -4.318 1.826 -24.255) 24.704 20.781 ( -7.049 12.753 -10.047) 17.699 21.900 ( -0.364 -15.240 -3.295) 15.597 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 24.227 1.991 23.358) 33.712 3.361 ( 3.892 14.661 12.837) 19.872 3.647 ( -1.315 -4.453 -9.915) 10.948 4.240 ( 0.865 0.266 -12.221) 12.254 5.592 ( 2.228 -11.662 -9.185) 15.011 5.603 ( -30.442 11.643 9.896) 34.062 6.353 ( 5.893 -0.655 -7.504) 9.564 6.557 ( -8.882 6.828 -2.780) 11.543 6.815 ( 6.573 -8.563 12.588) 16.583 7.561 ( -3.022 -21.473 -9.383) 23.628 8.171 ( 14.841 -5.713 -1.171) 15.946 8.417 ( 9.341 6.336 7.031) 13.298 8.723 ( -8.224 8.952 1.200) 12.215 9.261 ( -0.208 0.672 3.071) 3.150 9.420 ( 4.450 7.135 -10.505) 13.456 10.358 ( 7.557 0.248 -5.257) 9.209 10.459 ( 3.595 4.440 11.249) 12.617 11.091 ( -6.793 1.687 -1.565) 7.172 11.971 ( -3.072 12.275 -10.978) 16.752 12.639 ( 0.365 -7.121 -6.848) 9.886 13.038 ( -3.459 -6.841 -1.064) 7.740 13.579 ( 15.379 -12.112 1.804) 19.659 14.460 ( -17.913 12.060 -2.780) 21.773 14.663 ( -5.800 -17.286 21.150) 27.924 16.126 ( 0.117 10.635 14.967) 18.361 17.955 ( -1.150 3.853 0.549) 4.058 18.370 ( 13.096 9.320 -2.465) 16.261 19.539 ( -3.407 -2.126 -21.959) 22.323 20.744 ( -3.764 11.487 -9.616) 15.446 21.741 ( 1.958 -16.518 -2.528) 16.825 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -15.839 -10.217 1.215) 18.888 3.572 ( -2.569 4.714 -2.151) 5.784 3.881 ( 21.376 -0.651 12.253) 24.647 4.521 ( 18.773 12.659 0.616) 22.651 5.097 ( -31.027 -2.385 0.706) 31.127 5.341 ( -7.796 -7.730 -7.045) 13.045 6.433 ( 7.344 -6.616 -3.112) 10.363 6.673 ( 7.246 9.328 1.817) 11.950 7.045 ( 11.257 6.085 4.758) 13.652 7.194 ( -6.837 -16.699 -9.552) 20.417 8.327 ( 6.575 -0.411 2.453) 7.029 8.652 ( 1.324 3.429 5.201) 6.369 8.770 ( 9.041 10.044 2.713) 13.783 9.313 ( 3.099 3.520 -0.970) 4.789 9.511 ( 3.999 4.213 -5.842) 8.239 10.308 ( -10.597 2.208 -7.130) 12.962 10.639 ( 8.185 -4.510 11.624) 14.914 10.960 ( -6.416 -0.889 -2.778) 7.048 12.061 ( 5.420 12.396 -8.231) 15.836 12.417 ( -8.437 -10.363 -7.432) 15.290 13.013 ( 4.003 -1.941 -0.564) 4.484 13.717 ( 14.076 -14.237 2.226) 20.143 14.124 ( -24.732 2.989 0.031) 24.912 14.519 ( -11.859 -7.618 16.785) 21.918 16.324 ( 1.896 7.708 12.562) 14.859 17.934 ( -5.491 6.294 -3.360) 9.003 18.725 ( 14.498 13.197 1.903) 19.697 19.324 ( -2.250 -7.731 -16.361) 18.235 20.776 ( 1.009 10.686 -7.740) 13.233 21.601 ( 2.709 -16.879 -1.973) 17.208 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -10.493 -9.287 1.251) 14.069 3.556 ( -9.370 11.756 -0.190) 15.035 4.071 ( -1.374 -10.899 3.436) 11.510 4.695 ( -9.414 3.383 0.728) 10.030 4.927 ( 12.073 1.010 0.300) 12.119 5.210 ( -0.489 7.218 -0.216) 7.238 6.479 ( 7.969 -8.644 -0.088) 11.757 6.703 ( -9.358 -5.959 -8.689) 14.092 6.990 ( 13.747 -10.184 0.214) 17.110 7.344 ( 7.768 5.045 0.520) 9.277 8.443 ( -0.741 13.427 1.685) 13.553 8.795 ( 10.449 3.364 2.218) 11.199 9.089 ( 11.807 4.666 7.756) 14.877 9.419 ( 4.147 7.532 -4.004) 9.485 9.529 ( -5.112 3.443 -0.277) 6.170 9.997 ( -19.225 0.686 -8.276) 20.942 10.760 ( 7.491 -16.533 6.022) 19.124 10.818 ( -7.193 3.617 -0.385) 8.061 12.124 ( -5.584 -9.931 -4.126) 12.117 12.295 ( 11.188 10.344 -5.966) 16.364 13.073 ( 3.275 0.991 -2.476) 4.224 13.742 ( -18.700 -0.365 0.315) 18.707 13.799 ( 10.686 -16.039 1.670) 19.345 14.304 ( -16.948 -3.439 13.421) 21.890 16.478 ( -0.601 8.466 6.403) 10.631 17.883 ( -5.206 7.046 -2.879) 9.221 19.039 ( -3.807 -0.272 6.242) 7.317 19.179 ( 12.975 1.972 -12.468) 18.102 20.905 ( 5.726 10.950 -4.039) 13.000 21.480 ( 3.847 -15.745 -2.154) 16.350 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 2.423 -2.020 0.601) 3.212 3.486 ( -12.221 13.716 2.705) 18.569 3.774 ( -16.383 -15.369 5.181) 23.053 4.675 ( -1.704 -1.579 0.216) 2.333 5.037 ( 6.527 3.688 -5.289) 9.175 5.393 ( 6.465 5.006 3.409) 8.858 6.458 ( 0.064 -4.221 -5.422) 6.872 6.567 ( 2.392 -0.665 0.313) 2.503 7.106 ( 11.970 -10.056 -3.504) 16.021 7.485 ( 8.379 -4.624 2.427) 9.873 8.570 ( -3.177 16.205 -2.758) 16.742 8.987 ( -9.673 5.287 -0.438) 11.032 9.228 ( -4.033 -2.288 4.631) 6.554 9.378 ( 1.055 1.346 -1.206) 2.093 9.598 ( -0.057 12.985 1.858) 13.118 9.734 ( -3.699 2.931 -1.400) 4.922 10.556 ( -1.941 -21.296 -3.582) 21.683 10.864 ( 1.314 0.908 5.004) 5.252 12.009 ( 5.564 -8.246 0.178) 9.949 12.596 ( 14.035 9.725 -2.404) 17.244 13.058 ( -5.122 1.475 -3.523) 6.389 13.531 ( -4.409 -0.852 1.495) 4.733 13.803 ( 5.736 -12.083 -0.865) 13.404 14.053 ( -15.352 -2.351 7.549) 17.269 16.535 ( -5.944 9.823 -0.307) 11.486 17.874 ( -2.439 5.847 0.783) 6.384 18.838 ( -7.140 -12.246 1.334) 14.238 19.458 ( 10.900 7.987 -2.255) 13.700 21.114 ( 5.517 8.889 0.690) 10.484 21.422 ( 8.878 -10.111 -4.170) 14.087 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 16.118 2.623 -3.579) 16.718 3.309 ( -20.926 -21.155 10.762) 31.643 3.513 ( -7.527 19.784 6.943) 22.277 4.518 ( -6.362 -13.314 3.853) 15.251 5.223 ( 7.572 17.220 -12.777) 22.740 5.524 ( 9.441 -7.159 1.100) 11.899 6.501 ( 5.573 7.090 -3.690) 9.744 6.585 ( -1.919 -0.812 5.946) 6.301 7.257 ( 17.461 -4.877 -2.978) 18.372 7.527 ( 1.211 -8.991 -2.578) 9.432 8.359 ( -40.751 2.220 0.607) 40.816 8.657 ( -7.978 8.902 -0.174) 11.955 9.179 ( -6.391 2.591 -7.552) 10.227 9.516 ( 4.967 -3.259 -1.005) 6.025 9.634 ( 0.749 5.536 -4.055) 6.904 9.870 ( 0.525 6.841 15.540) 16.987 10.334 ( 6.347 -23.630 0.515) 24.473 10.933 ( 1.834 4.980 0.462) 5.327 12.126 ( 11.302 -3.928 3.166) 12.377 12.902 ( 10.800 2.886 -7.794) 13.628 12.975 ( 1.724 2.508 6.519) 7.194 13.491 ( -6.413 2.095 2.010) 7.039 13.805 ( 5.927 -6.612 -0.517) 8.895 13.851 ( -5.846 0.703 -1.370) 6.045 16.456 ( -11.615 7.677 -4.646) 14.678 17.911 ( -0.486 3.344 2.005) 3.930 18.605 ( -8.362 -11.215 5.979) 15.213 19.665 ( 9.213 2.848 -2.807) 10.043 21.167 ( -0.578 -3.323 -1.600) 3.733 21.614 ( 15.323 5.252 -1.630) 16.280 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -26.095 -18.353 13.475) 34.632 3.149 ( 24.804 -10.366 -8.641) 28.238 3.611 ( -21.290 26.835 13.818) 36.936 4.442 ( 12.909 -7.280 5.912) 15.956 5.427 ( 6.060 15.908 -16.242) 23.529 5.611 ( 15.592 -16.466 -4.187) 23.060 6.588 ( -0.239 -2.434 7.284) 7.684 6.699 ( 4.041 11.415 -1.001) 12.150 7.107 ( -38.183 4.781 -7.257) 39.159 7.534 ( 16.067 -1.180 -1.411) 16.172 7.923 ( -6.504 -7.027 11.857) 15.241 8.607 ( -8.846 7.584 1.659) 11.770 9.005 ( -11.079 2.267 -9.339) 14.666 9.327 ( -8.716 -9.852 -4.135) 13.789 9.732 ( 6.966 -2.659 -3.755) 8.349 9.999 ( -0.232 1.372 11.003) 11.091 10.304 ( 6.890 -13.747 5.034) 16.180 11.036 ( 1.027 10.016 -0.602) 10.087 12.260 ( 3.811 0.163 -0.434) 3.839 12.927 ( 4.788 -2.811 -4.356) 7.057 13.284 ( 15.827 2.203 4.995) 16.742 13.390 ( -5.747 4.290 1.047) 7.248 13.669 ( 1.040 -17.274 1.223) 17.349 14.069 ( 9.983 19.094 0.119) 21.546 16.233 ( -15.275 0.783 -5.488) 16.250 17.904 ( -0.860 -4.320 -2.581) 5.105 18.425 ( -9.811 -2.024 10.080) 14.211 19.815 ( 10.392 -1.909 -4.104) 11.335 21.086 ( -2.135 -2.303 -5.702) 6.509 21.926 ( 13.103 6.208 0.962) 14.531 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -25.075 -16.249 18.710) 35.255 3.147 ( -14.983 -8.846 -6.881) 18.711 3.656 ( 1.758 16.949 8.262) 18.937 4.864 ( 26.721 4.881 6.418) 27.911 5.533 ( 4.787 4.517 -11.722) 13.443 5.666 ( 13.021 -14.452 -13.722) 23.805 6.162 ( -41.571 1.661 -3.178) 41.725 6.687 ( 1.717 0.576 8.370) 8.563 7.158 ( 11.765 21.121 5.367) 24.765 7.642 ( 4.026 -10.736 -2.428) 11.720 8.003 ( 7.946 -1.504 9.936) 12.811 8.544 ( -8.357 7.312 5.848) 12.550 8.687 ( -15.241 -7.464 -8.839) 19.134 9.146 ( -3.388 -1.255 -1.556) 3.934 9.755 ( 2.875 -2.409 -7.183) 8.103 10.013 ( -2.956 -2.508 7.636) 8.564 10.320 ( 3.913 -7.201 3.975) 9.109 11.118 ( -4.113 10.086 -1.707) 11.026 12.249 ( -4.877 4.713 -6.263) 9.232 12.990 ( 8.814 -2.897 1.544) 9.405 13.292 ( -0.215 2.979 -19.481) 19.708 13.444 ( 3.245 -19.632 2.543) 20.060 13.786 ( 17.000 -0.897 19.071) 25.564 14.486 ( 10.270 20.553 6.824) 23.968 15.901 ( -14.807 -7.040 -3.788) 16.827 17.758 ( -3.252 -9.916 -6.578) 12.336 18.345 ( -10.037 7.527 7.340) 14.535 19.934 ( 10.810 -4.831 -6.604) 13.558 20.995 ( -3.644 3.140 -8.275) 9.572 22.177 ( 9.683 2.265 1.862) 10.117 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.122 11.573 -1.498) 11.670 2.779 ( -26.473 9.006 12.372) 30.578 3.828 ( 4.541 -8.618 -5.771) 11.322 4.945 ( 6.763 -23.135 -2.325) 24.215 5.341 ( 6.615 -4.514 -13.128) 15.378 5.637 ( 27.074 2.069 4.422) 27.511 6.369 ( -29.870 33.110 12.251) 46.245 6.833 ( -0.199 1.167 7.364) 7.458 7.175 ( -5.850 -10.250 -0.043) 11.802 7.836 ( 5.335 -11.528 -2.913) 13.032 8.017 ( -10.103 -9.324 -4.886) 14.591 8.308 ( 1.794 24.829 -3.635) 25.158 8.828 ( -5.955 6.255 8.125) 11.858 9.184 ( 2.425 1.722 2.658) 3.989 9.805 ( 6.366 3.668 4.081) 8.405 9.860 ( 6.396 -8.050 -2.828) 10.663 10.545 ( 10.056 9.147 1.908) 13.727 10.804 ( -23.352 -8.641 -12.871) 28.029 12.276 ( -2.032 5.459 -1.862) 6.115 12.768 ( -5.771 -2.281 -18.247) 19.273 13.009 ( 6.389 -10.950 -3.768) 13.226 13.361 ( 15.847 2.338 6.458) 17.271 14.228 ( -5.179 -7.699 3.118) 9.789 14.617 ( 2.758 -20.269 20.089) 28.671 15.955 ( 4.446 17.818 7.068) 19.678 17.527 ( 0.797 6.159 -6.255) 8.814 18.394 ( -13.915 4.930 -2.062) 14.906 19.782 ( 7.935 -3.580 -11.050) 14.068 21.022 ( -2.620 8.832 -6.740) 11.415 22.149 ( 1.034 -10.852 -2.401) 11.163 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -6.676 33.654 -1.017) 34.325 2.711 ( -3.571 14.433 19.674) 24.661 3.780 ( 6.350 -13.338 -7.929) 16.766 4.764 ( -1.460 -19.634 -1.646) 19.757 5.323 ( 7.930 -8.281 -11.584) 16.299 6.190 ( 29.532 -2.636 9.560) 31.153 6.329 ( -16.846 25.671 7.676) 31.650 6.800 ( -15.218 7.263 8.827) 19.033 7.018 ( -0.366 -7.213 1.305) 7.340 7.610 ( -8.183 -12.656 -14.786) 21.113 7.744 ( -0.869 -13.591 -4.233) 14.262 8.544 ( -5.728 9.188 5.149) 11.989 8.906 ( 0.760 20.799 -1.200) 20.847 9.277 ( 2.456 2.482 5.528) 6.538 9.758 ( -10.053 -6.182 0.202) 11.803 10.013 ( 7.250 -0.745 1.681) 7.479 10.233 ( -12.299 -7.998 -11.849) 18.858 10.876 ( 12.650 11.062 2.050) 16.929 12.298 ( 1.639 1.601 -1.593) 2.791 12.527 ( -8.259 0.591 -15.446) 17.525 13.026 ( 8.742 -7.612 -2.603) 11.880 13.733 ( 10.240 -3.372 1.522) 10.888 13.854 ( -5.203 -9.134 -0.368) 10.519 14.792 ( 10.033 -12.489 26.559) 31.016 16.196 ( -3.009 19.190 6.481) 20.477 17.643 ( 7.726 9.032 -5.618) 13.146 18.178 ( -12.963 2.424 -1.971) 13.334 19.780 ( 3.661 -2.466 -13.951) 14.633 21.010 ( -4.461 9.629 -7.917) 13.240 21.981 ( -2.454 -14.866 -4.381) 15.691 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 6.312 25.802 16.706) 31.380 3.074 ( 9.876 21.302 9.616) 25.373 3.680 ( 2.073 -11.189 -7.298) 13.518 4.503 ( -6.800 -12.261 -6.828) 15.595 5.299 ( 9.046 -16.206 -3.206) 18.834 6.304 ( -3.441 0.535 -4.777) 5.911 6.598 ( 11.721 -8.615 9.302) 17.266 6.640 ( -28.788 28.345 13.051) 42.456 6.983 ( -3.461 -2.025 -3.544) 5.351 7.396 ( 13.606 -11.847 -11.809) 21.562 7.570 ( 0.441 -14.685 -0.284) 14.695 8.449 ( -10.033 4.745 1.769) 11.239 9.060 ( -8.683 13.256 -0.935) 15.875 9.343 ( -4.847 0.922 1.377) 5.122 9.438 ( -5.256 -1.083 -3.664) 6.498 10.015 ( 6.718 -3.211 -3.778) 8.350 10.304 ( 8.400 4.515 6.039) 11.288 11.129 ( 4.948 4.518 0.001) 6.700 12.290 ( -10.017 9.359 -11.317) 17.776 12.389 ( 7.847 -5.387 -3.564) 10.164 13.118 ( 10.762 -6.814 -0.383) 12.743 13.382 ( -13.842 -10.966 -3.386) 17.981 14.211 ( 20.615 3.009 2.639) 21.000 14.925 ( 0.284 -11.697 23.271) 26.047 16.341 ( -7.485 20.950 7.718) 23.547 17.869 ( 12.387 6.135 -5.436) 14.854 18.013 ( -6.592 1.109 1.304) 6.810 19.675 ( -1.961 -2.726 -16.925) 17.254 20.962 ( -6.261 10.070 -9.162) 14.985 21.753 ( -2.413 -15.706 -3.851) 16.351 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 18.703 7.351 24.128) 31.401 3.436 ( 8.495 4.180 -1.514) 9.588 3.564 ( -3.708 1.557 -5.887) 7.130 4.279 ( -5.424 3.951 -4.747) 8.219 5.280 ( 9.588 -16.976 -4.247) 19.953 6.080 ( -11.059 -17.380 -0.410) 20.604 6.477 ( -16.088 11.340 3.970) 20.080 6.643 ( -4.165 1.505 -4.190) 6.096 6.924 ( -7.581 19.598 8.572) 22.694 7.290 ( 1.660 -20.749 -10.493) 23.311 7.770 ( 23.290 -3.843 0.370) 23.608 8.427 ( 0.540 6.297 3.239) 7.102 8.924 ( -8.523 1.958 0.581) 8.765 9.282 ( -1.568 -1.235 -0.818) 2.157 9.416 ( -2.091 5.684 -5.385) 8.105 10.161 ( 10.509 0.400 0.782) 10.546 10.522 ( 5.247 5.325 7.310) 10.456 11.135 ( -2.521 -3.201 -3.392) 5.302 12.143 ( -8.903 10.860 -10.176) 17.342 12.487 ( 7.496 -4.696 -1.093) 8.913 13.068 ( -8.681 -6.860 -2.820) 11.418 13.251 ( 11.408 -7.191 0.550) 13.496 14.550 ( 12.266 4.315 1.237) 13.062 14.830 ( -12.194 -9.742 15.072) 21.697 16.455 ( -9.497 16.776 14.966) 24.406 17.987 ( 0.898 1.247 2.710) 3.115 18.129 ( 15.831 4.081 -6.652) 17.650 19.469 ( -5.166 -3.869 -17.141) 18.316 20.898 ( -6.187 11.110 -9.508) 15.878 21.557 ( -0.322 -15.408 -1.457) 15.480 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -10.967 -7.717 -5.258) 14.404 3.504 ( 21.807 -5.678 9.885) 24.607 3.616 ( 1.296 5.999 4.322) 7.507 4.413 ( 8.680 13.732 -1.356) 16.302 5.165 ( -0.962 -15.078 -11.566) 19.027 5.708 ( -19.257 -2.573 10.882) 22.268 6.354 ( -6.338 1.581 -1.598) 6.725 6.618 ( 3.276 0.018 1.126) 3.464 6.990 ( -2.836 -12.739 -11.023) 17.084 7.152 ( 0.362 15.369 2.297) 15.544 8.096 ( 17.647 -1.088 0.321) 17.683 8.598 ( 8.438 2.289 6.206) 10.722 8.885 ( -2.651 7.468 1.523) 8.070 9.229 ( 2.170 -4.766 -1.306) 5.397 9.452 ( 3.298 5.124 -4.795) 7.754 10.313 ( 5.533 -1.919 0.217) 5.860 10.634 ( -2.366 1.775 5.517) 6.260 11.001 ( -3.182 -4.595 -4.293) 7.048 12.110 ( -1.689 11.328 -5.857) 12.864 12.441 ( -6.189 -6.289 -3.583) 9.524 12.937 ( 0.690 -1.784 -1.316) 2.322 13.376 ( 11.936 -10.065 1.532) 15.688 14.516 ( -20.132 -9.503 9.372) 24.155 14.716 ( -1.761 9.471 -1.724) 9.787 16.531 ( -7.306 7.564 19.496) 22.151 18.021 ( -1.216 2.415 -0.257) 2.716 18.461 ( 22.641 4.855 -9.057) 24.864 19.245 ( -5.105 -5.189 -9.844) 12.243 20.874 ( -3.443 12.508 -8.048) 15.267 21.411 ( 0.683 -14.669 1.027) 14.721 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( -15.111 -1.376 -4.574) 15.848 3.698 ( -0.108 2.092 4.408) 4.881 3.805 ( 16.320 -11.777 0.670) 20.137 4.695 ( 13.547 3.770 -3.867) 14.584 4.863 ( -8.964 -9.545 -4.849) 13.963 5.542 ( -17.362 16.104 10.982) 26.104 6.298 ( 3.164 -4.907 -0.242) 5.844 6.705 ( -2.364 -10.850 -7.002) 13.128 6.758 ( 4.902 1.143 0.983) 5.129 7.314 ( 2.512 8.071 -2.988) 8.965 8.397 ( 15.767 2.075 4.334) 16.483 8.775 ( 5.627 1.232 5.750) 8.139 8.980 ( 3.997 7.102 1.540) 8.294 9.312 ( 10.604 0.894 -3.463) 11.191 9.541 ( 3.821 3.101 -1.872) 5.265 10.248 ( -10.900 -0.825 -4.666) 11.886 10.544 ( -1.223 -14.617 0.878) 14.695 10.939 ( -2.446 2.739 0.860) 3.772 12.160 ( -10.538 -7.266 -3.023) 13.152 12.241 ( 4.087 10.557 -2.822) 11.667 12.988 ( 4.962 0.366 -0.887) 5.054 13.474 ( 10.753 -11.572 1.440) 15.863 14.096 ( -22.811 -5.489 2.780) 23.626 14.665 ( -13.747 9.144 -0.219) 16.512 16.607 ( -2.264 2.954 15.225) 15.673 17.994 ( -3.466 3.768 -3.586) 6.251 18.785 ( 18.341 -6.188 -18.113) 26.510 19.140 ( -0.284 2.839 8.457) 8.925 20.945 ( 1.379 13.959 -5.026) 14.901 21.297 ( 0.675 -12.893 2.688) 13.187 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -10.566 3.032 -1.675) 11.120 3.660 ( -2.020 -7.045 0.613) 7.354 3.809 ( -0.597 -12.499 -4.182) 13.194 4.716 ( -2.586 -2.032 4.149) 5.294 4.882 ( 9.875 -0.187 -4.416) 10.819 5.514 ( -10.092 15.456 2.431) 18.618 6.356 ( 6.276 -2.817 1.193) 6.982 6.575 ( -0.484 4.314 -0.387) 4.358 6.863 ( 4.962 -4.768 0.112) 6.883 7.375 ( 2.895 -0.244 -1.465) 3.254 8.700 ( 8.762 6.183 3.498) 11.280 8.949 ( 7.823 5.987 5.725) 11.394 9.142 ( 11.322 -4.928 0.301) 12.352 9.441 ( -3.038 3.588 -5.727) 7.409 9.659 ( 9.161 6.685 2.829) 11.688 9.933 ( -18.417 2.243 -5.730) 19.417 10.311 ( -1.736 -27.080 -1.872) 27.200 10.932 ( -3.774 2.997 1.324) 4.998 11.936 ( -4.157 -2.972 -0.756) 5.166 12.463 ( 9.908 6.865 0.965) 12.093 13.062 ( 2.930 -0.689 -0.845) 3.127 13.544 ( 8.921 -8.076 0.334) 12.038 13.709 ( -16.605 -2.270 -0.296) 16.762 14.449 ( -19.985 8.380 -1.304) 21.710 16.675 ( -1.816 3.016 6.032) 6.984 17.953 ( -2.395 2.944 -3.335) 5.053 18.733 ( 3.385 -15.237 -6.457) 16.891 19.359 ( 8.346 6.559 4.913) 11.697 21.145 ( 6.170 15.568 -0.563) 16.756 21.210 ( 1.437 -10.260 1.855) 10.524 ======================= Grid point 52 (44/226) ======================= q-point: (-0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 0.760 -1.022 -3.159) 3.406 3.426 ( -11.283 -20.415 3.201) 23.544 3.714 ( 2.653 3.358 -1.008) 4.397 4.650 ( -9.354 -0.417 7.726) 12.140 5.027 ( 11.885 -1.184 -7.689) 14.205 5.491 ( -4.739 6.674 -5.024) 9.604 6.478 ( 5.630 8.181 -0.684) 9.955 6.689 ( -2.720 2.140 11.154) 11.678 6.944 ( 13.735 3.235 -2.043) 14.258 7.405 ( 2.693 -3.617 0.777) 4.576 8.837 ( -2.990 10.299 1.401) 10.815 9.068 ( -31.413 -2.034 -2.095) 31.549 9.137 ( 6.038 -0.221 -2.975) 6.735 9.256 ( 9.610 -11.459 -5.245) 15.848 9.732 ( -7.703 5.057 -2.431) 9.529 9.969 ( -0.927 -27.842 0.474) 27.862 10.034 ( 12.109 11.642 12.120) 20.714 10.894 ( 1.602 -1.154 -3.790) 4.274 11.978 ( 6.232 3.389 3.344) 7.843 12.693 ( 10.785 0.397 0.695) 10.814 13.029 ( -2.562 -3.800 1.663) 4.875 13.483 ( -3.060 -7.167 -2.375) 8.147 13.707 ( 8.759 9.566 0.770) 12.993 14.154 ( -20.971 7.922 -4.736) 22.912 16.642 ( -6.865 1.763 -2.676) 7.577 17.917 ( -0.564 -2.700 -3.036) 4.102 18.624 ( -0.163 -9.899 6.130) 11.645 19.531 ( 6.023 0.702 -0.665) 6.100 21.136 ( -1.126 -5.542 1.405) 5.827 21.466 ( 11.790 13.835 0.594) 18.187 ======================= Grid point 53 (45/226) ======================= q-point: (-0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 6.917 -30.175 -3.499) 31.155 3.098 ( -12.293 1.649 3.109) 12.786 3.947 ( 13.709 11.819 4.052) 18.548 4.490 ( -15.772 1.072 11.502) 19.550 5.149 ( 13.538 -8.074 -10.914) 19.172 5.434 ( -1.865 3.280 -9.504) 10.226 6.612 ( -0.076 -1.418 6.058) 6.222 6.749 ( 4.462 9.896 2.151) 11.067 7.320 ( 14.546 11.889 4.877) 19.409 7.384 ( -3.046 -1.173 -0.286) 3.277 8.404 ( -38.183 1.416 -0.089) 38.210 8.854 ( -7.931 8.745 2.701) 12.111 9.096 ( -6.153 -3.421 -6.316) 9.458 9.208 ( 6.034 -19.061 -3.504) 20.298 9.578 ( -0.424 -9.687 -2.891) 10.118 9.885 ( 8.072 -6.945 -2.076) 10.849 10.295 ( -1.957 2.898 14.161) 14.586 11.007 ( 10.642 5.593 -2.629) 12.306 12.172 ( 7.349 3.712 3.161) 8.819 12.785 ( 3.706 -3.118 -5.643) 7.436 13.081 ( 10.428 -5.145 9.716) 15.153 13.376 ( 1.893 -7.878 -1.331) 8.211 13.821 ( -20.122 8.646 -7.313) 23.090 14.073 ( 12.621 18.866 2.197) 22.804 16.425 ( -13.133 -4.859 -6.972) 15.643 17.824 ( -0.742 -8.902 -4.216) 9.878 18.613 ( -3.148 0.422 12.195) 12.601 19.602 ( 6.786 -3.960 -4.312) 8.963 21.075 ( -1.666 -1.619 -1.435) 2.730 21.799 ( 11.350 10.058 1.512) 15.241 ======================= Grid point 54 (46/226) ======================= q-point: (-0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 1.172 -38.362 2.153) 38.440 3.077 ( -2.725 10.384 -0.831) 10.768 4.194 ( -21.649 10.944 10.470) 26.421 4.493 ( 23.608 3.606 5.505) 24.508 5.171 ( 9.138 -16.395 -7.373) 20.166 5.404 ( 4.968 1.903 -16.379) 17.222 6.635 ( -0.158 -0.407 8.423) 8.434 6.895 ( -6.721 7.287 0.112) 9.914 7.261 ( -8.329 8.101 1.263) 11.687 7.608 ( -2.296 11.480 0.801) 11.734 7.997 ( -6.945 1.532 7.079) 10.034 8.789 ( -10.990 -3.017 -3.587) 11.948 8.815 ( -10.467 -0.887 6.682) 12.450 9.143 ( 1.525 -4.077 -2.347) 4.945 9.553 ( 8.998 -8.832 -4.658) 13.441 9.927 ( 5.297 -5.917 -5.913) 9.901 10.300 ( -1.528 -3.313 8.877) 9.597 11.210 ( 3.088 7.819 -0.419) 8.417 12.291 ( 1.399 3.499 -1.482) 4.049 12.801 ( 6.306 -2.332 -4.336) 8.001 13.137 ( 3.944 -11.472 -6.842) 13.928 13.494 ( -14.135 1.985 -2.287) 14.456 13.576 ( 15.206 -0.664 13.079) 20.068 14.541 ( 12.505 21.763 5.469) 25.689 16.035 ( -15.282 -12.639 -6.409) 20.841 17.683 ( -2.269 -7.512 -4.756) 9.175 18.626 ( -7.776 6.261 8.874) 13.357 19.658 ( 9.505 -5.894 -6.465) 12.918 21.033 ( -1.818 2.673 -3.887) 5.056 22.052 ( 8.662 3.677 1.284) 9.497 ======================= Grid point 56 (47/226) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 17.223 11.117 -1.844) 20.582 3.267 ( -11.565 4.762 5.620) 13.712 3.827 ( -16.787 -10.072 0.504) 19.583 4.650 ( 5.140 -6.130 -4.175) 9.023 5.202 ( 1.320 -0.944 -11.431) 11.545 5.293 ( 18.830 3.140 9.550) 21.346 6.773 ( -9.150 -5.052 3.512) 11.027 6.813 ( 5.837 -4.851 -0.222) 7.593 7.475 ( -0.191 6.023 -2.056) 6.368 7.770 ( -12.909 7.472 -4.065) 15.459 8.126 ( -17.896 -2.240 6.932) 19.321 8.470 ( 3.007 15.714 0.243) 16.001 9.053 ( -4.389 7.867 6.294) 10.990 9.131 ( 5.265 1.086 -0.349) 5.388 9.501 ( 16.390 -8.888 -5.946) 19.570 9.788 ( 3.718 -0.637 4.909) 6.191 10.448 ( 9.466 5.860 -0.284) 11.137 11.018 ( -19.119 -8.977 -9.074) 22.988 12.320 ( -1.414 -1.112 -2.379) 2.983 12.725 ( -1.362 -1.146 -10.691) 10.838 12.875 ( 0.429 1.896 -3.695) 4.175 13.258 ( 0.829 0.694 2.941) 3.134 14.137 ( 15.116 -5.268 14.821) 21.815 14.543 ( -12.096 -23.493 2.422) 26.535 16.062 ( 9.730 18.722 8.396) 22.709 17.565 ( -0.944 5.359 -2.012) 5.801 18.659 ( -12.659 3.350 -2.808) 13.393 19.556 ( 7.700 -1.760 -6.933) 10.510 21.073 ( 0.180 4.304 -4.149) 5.981 22.027 ( -0.954 -9.669 -1.694) 9.863 ======================= Grid point 57 (48/226) ======================= q-point: ( 0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 16.015 27.350 -2.770) 31.815 3.095 ( -16.854 5.461 12.203) 21.512 3.583 ( -1.082 -9.498 -0.940) 9.606 4.629 ( -0.579 -6.436 1.692) 6.680 5.126 ( 1.175 -2.892 -12.460) 12.845 5.732 ( 25.035 -1.861 9.632) 26.889 6.550 ( -9.521 -6.362 -0.211) 11.452 6.861 ( 4.232 -5.896 2.120) 7.561 7.409 ( -4.877 -8.976 -11.185) 15.147 7.593 ( -5.373 -5.104 -6.176) 9.647 7.804 ( -27.674 22.431 8.733) 36.678 8.749 ( -0.801 12.210 7.529) 14.367 9.121 ( -2.644 19.867 0.221) 20.043 9.246 ( 6.403 1.516 2.411) 7.008 9.652 ( 12.804 -7.189 -4.849) 15.464 9.908 ( 6.680 -1.216 7.047) 9.785 10.380 ( -25.928 -14.529 -15.383) 33.466 10.751 ( 12.897 7.889 2.922) 15.398 12.241 ( -0.429 -7.659 -2.200) 7.980 12.601 ( -6.122 4.092 -12.135) 14.195 12.883 ( 2.217 1.567 -1.111) 2.934 13.478 ( 15.796 1.838 5.503) 16.828 13.945 ( -15.928 -15.324 -3.303) 22.348 14.579 ( 17.063 -12.798 21.879) 30.556 16.414 ( 3.655 16.996 6.999) 18.741 17.635 ( 1.914 9.082 -0.974) 9.333 18.428 ( -14.401 2.629 -3.777) 15.118 19.608 ( 5.120 -0.999 -9.681) 10.997 21.087 ( -0.904 5.383 -5.999) 8.111 21.848 ( -2.983 -15.179 -3.377) 15.833 ======================= Grid point 58 (49/226) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 0.418 32.338 5.247) 32.763 3.075 ( 6.086 -0.396 11.321) 12.859 3.528 ( 2.438 -2.823 -2.354) 4.411 4.515 ( -7.019 -4.019 3.066) 8.650 5.035 ( 2.376 -8.932 -8.296) 12.420 6.212 ( 26.096 -7.835 6.976) 28.125 6.329 ( -7.222 -4.442 -3.526) 9.182 6.864 ( 1.513 -6.507 3.160) 7.390 7.083 ( -2.477 -15.904 -17.346) 23.664 7.424 ( -4.842 -5.903 -1.554) 7.791 7.713 ( -25.855 34.281 10.476) 44.198 8.703 ( -12.521 3.492 2.436) 13.225 9.244 ( -0.046 6.066 -2.643) 6.617 9.457 ( 2.196 15.019 0.504) 15.187 9.555 ( -20.168 -11.592 -3.035) 23.459 9.858 ( 5.274 -2.398 -4.090) 7.092 10.165 ( 12.898 -0.987 5.716) 14.143 11.046 ( 9.667 3.866 0.784) 10.441 12.179 ( 5.795 -8.252 -1.309) 10.168 12.460 ( -7.694 5.482 -10.994) 14.495 12.952 ( 3.969 0.464 0.550) 4.034 13.488 ( -12.717 -10.745 -2.867) 16.894 13.900 ( 19.953 2.896 4.014) 20.558 14.846 ( 11.296 -11.956 21.080) 26.738 16.624 ( 0.080 16.222 0.828) 16.243 17.787 ( 4.355 8.323 2.156) 9.637 18.199 ( -12.764 2.307 -0.465) 12.979 19.571 ( 0.067 -2.307 -12.700) 12.908 21.070 ( -2.927 5.872 -6.992) 9.588 21.612 ( -2.604 -16.384 -3.857) 17.032 ======================= Grid point 59 (50/226) ======================= q-point: ( 0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( -0.446 4.482 22.529) 22.975 3.308 ( 7.385 3.913 -3.802) 9.181 3.587 ( 3.391 8.727 -5.635) 10.928 4.411 ( -5.709 4.832 2.507) 7.888 4.958 ( 6.016 -11.451 -4.341) 13.644 6.071 ( -8.065 -9.916 -4.379) 13.511 6.501 ( 6.636 -7.044 5.764) 11.264 6.784 ( -5.750 -2.276 -6.412) 8.908 6.921 ( 10.822 -17.433 -10.019) 22.834 7.363 ( 2.395 2.363 4.728) 5.803 7.681 ( -19.123 26.888 6.429) 33.615 8.548 ( -7.359 4.066 -0.467) 8.421 9.110 ( -14.907 -4.475 0.633) 15.577 9.257 ( 0.624 -3.172 -3.435) 4.717 9.503 ( -4.307 4.194 -4.157) 7.309 10.048 ( 7.899 7.763 2.343) 11.321 10.444 ( 12.695 1.712 7.614) 14.902 11.109 ( -0.829 -4.061 -2.627) 4.907 12.284 ( 11.009 -2.567 -0.066) 11.304 12.315 ( -7.327 4.391 -7.456) 11.338 13.014 ( 4.166 -5.206 1.137) 6.764 13.203 ( -9.239 -1.972 -3.071) 9.934 14.312 ( 19.897 5.092 0.705) 20.550 14.941 ( -0.897 -12.000 17.504) 21.242 16.785 ( 0.220 15.622 -1.181) 15.668 17.947 ( 3.748 4.390 4.400) 7.258 18.057 ( -5.483 1.548 2.232) 6.119 19.416 ( -4.082 -4.075 -13.936) 15.082 21.027 ( -3.963 6.722 -6.841) 10.378 21.412 ( -0.613 -13.976 -2.105) 14.147 ======================= Grid point 60 (51/226) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 9.247 -8.271 18.591) 22.351 3.298 ( -4.278 3.323 -14.008) 15.018 3.698 ( 0.710 6.477 2.372) 6.934 4.451 ( 0.285 8.099 0.453) 8.117 4.935 ( 4.480 -9.646 -5.500) 11.974 5.860 ( -4.461 -4.190 1.618) 6.331 6.499 ( -3.196 -3.020 6.989) 8.257 6.654 ( -3.497 1.174 -5.062) 6.264 6.800 ( 0.532 -11.432 -8.023) 13.977 7.476 ( -10.396 14.883 1.727) 18.237 7.763 ( 13.660 1.185 1.524) 13.795 8.552 ( 1.867 2.238 1.868) 3.462 8.949 ( -2.031 1.071 1.747) 2.885 9.191 ( -1.889 -4.428 -2.345) 5.355 9.450 ( -1.182 2.519 -2.618) 3.820 10.221 ( 4.191 2.034 1.806) 4.996 10.684 ( 5.319 3.136 5.417) 8.214 10.971 ( -4.065 -5.755 -4.586) 8.406 12.222 ( -3.663 4.696 -3.469) 6.892 12.415 ( 3.279 -1.768 -0.184) 3.730 12.952 ( -3.462 -2.117 -1.479) 4.319 13.154 ( 4.590 -2.971 0.508) 5.491 14.644 ( 9.025 3.646 -0.051) 9.734 14.805 ( -9.123 -5.409 6.147) 12.259 16.881 ( -6.786 8.254 8.416) 13.602 18.039 ( 1.174 1.165 2.215) 2.764 18.097 ( 9.825 0.218 -4.969) 11.012 19.235 ( -3.479 -2.934 -7.156) 8.481 21.000 ( -2.895 8.031 -5.516) 10.164 21.288 ( 0.317 -10.199 1.219) 10.277 ======================= Grid point 61 (52/226) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( -8.691 7.780 -13.848) 18.106 3.432 ( 12.891 -11.048 8.024) 18.778 3.724 ( -1.916 -4.538 3.240) 5.896 4.536 ( 5.053 1.716 -4.863) 7.219 4.838 ( -2.560 -5.510 -0.545) 6.100 5.877 ( 1.655 5.344 5.811) 8.066 6.410 ( -12.825 4.918 3.964) 14.297 6.623 ( 0.402 -2.196 0.100) 2.235 6.721 ( 1.305 3.049 -2.495) 4.151 7.391 ( -7.018 6.082 -4.895) 10.498 8.072 ( 21.606 -7.020 1.832) 22.791 8.620 ( 6.466 -4.296 1.687) 7.945 9.070 ( 9.868 4.124 1.566) 10.809 9.121 ( -1.978 1.882 -0.954) 2.892 9.493 ( 3.722 1.273 0.653) 3.988 10.242 ( 0.114 -6.920 0.149) 6.923 10.591 ( -12.221 -4.215 -6.501) 14.470 10.971 ( 3.146 3.898 2.693) 5.688 12.244 ( 0.030 2.496 3.529) 4.322 12.316 ( -8.349 -0.568 -4.532) 9.517 12.936 ( 1.301 2.973 -0.922) 3.374 13.228 ( 8.232 -6.378 1.853) 10.577 14.422 ( -19.776 -8.126 4.569) 21.863 14.868 ( 0.147 12.423 -10.452) 16.236 16.835 ( -9.676 -1.195 16.351) 19.036 18.040 ( -1.810 1.148 -2.721) 3.464 18.267 ( 18.135 -6.643 -16.014) 25.089 19.206 ( 1.174 2.082 7.575) 7.943 21.029 ( 0.366 7.394 -2.983) 7.982 21.231 ( -0.491 -3.988 4.296) 5.882 ======================= Grid point 63 (53/226) ======================= q-point: (-0.36 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( -13.523 10.984 -5.528) 18.278 3.462 ( 6.273 -18.363 -9.051) 21.412 3.624 ( 0.573 -11.334 2.118) 11.544 4.612 ( 9.115 -5.592 -3.300) 11.191 4.810 ( -0.373 4.488 3.469) 5.685 5.978 ( -13.194 15.396 4.079) 20.682 6.265 ( -2.001 0.767 1.762) 2.774 6.651 ( -0.216 8.878 3.863) 9.684 6.804 ( 2.461 1.591 1.584) 3.331 7.345 ( 0.175 2.158 -3.588) 4.191 8.356 ( 23.280 -16.612 0.075) 28.599 8.762 ( 13.919 -4.599 2.985) 14.960 9.146 ( -2.670 8.953 1.618) 9.482 9.346 ( 15.696 6.621 -2.282) 17.187 9.578 ( 4.425 -0.881 3.589) 5.765 10.085 ( -4.217 -17.349 -1.541) 17.921 10.241 ( -17.500 -2.224 -8.430) 19.552 11.040 ( -3.076 3.339 1.748) 4.864 12.065 ( -11.176 1.354 -1.091) 11.310 12.397 ( 6.284 2.481 5.200) 8.525 12.988 ( 2.526 -0.385 -0.962) 2.730 13.348 ( 9.593 -1.038 1.671) 9.793 14.006 ( -21.105 -4.552 -0.868) 21.608 14.810 ( -12.683 12.246 -12.192) 21.435 16.768 ( -4.220 -4.852 11.390) 13.079 17.974 ( -2.542 -1.083 -6.598) 7.153 18.366 ( 14.442 -11.723 -9.924) 21.082 19.364 ( 4.090 4.134 11.519) 12.903 21.097 ( 3.182 -2.098 2.214) 4.408 21.272 ( -0.055 10.978 3.581) 11.548 ======================= Grid point 64 (54/226) ======================= q-point: (-0.27 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -17.540 -5.457 -0.012) 18.369 3.328 ( 4.670 -12.428 -7.510) 15.253 3.558 ( 4.927 -5.691 -4.570) 8.807 4.688 ( 6.815 -6.583 -0.503) 9.489 4.909 ( 0.960 6.191 5.043) 8.043 5.743 ( -20.109 8.309 -5.842) 22.529 6.419 ( 9.107 4.621 2.450) 10.503 6.808 ( -2.834 0.637 -0.525) 2.951 6.892 ( 6.712 17.787 12.398) 22.696 7.386 ( 1.087 3.885 1.464) 4.292 8.530 ( 23.391 -26.076 -3.419) 35.197 8.966 ( 11.294 -3.687 -4.308) 12.637 9.169 ( -5.011 6.762 -0.222) 8.420 9.482 ( -9.880 3.073 1.680) 10.483 9.706 ( -7.787 -28.570 -2.514) 29.718 9.901 ( 13.885 8.452 4.400) 16.840 9.955 ( -2.408 8.072 0.475) 8.437 10.914 ( -9.514 -4.162 -2.330) 10.642 12.017 ( -0.896 9.074 1.890) 9.312 12.559 ( 7.183 -1.762 6.998) 10.182 12.979 ( 0.972 -6.527 0.036) 6.600 13.529 ( -1.848 2.972 -1.485) 3.802 13.690 ( -1.746 4.775 -0.778) 5.144 14.561 ( -19.654 11.183 -13.098) 26.132 16.699 ( -3.217 -6.191 0.438) 6.991 17.854 ( -1.668 -7.588 -5.764) 9.674 18.462 ( 11.125 -6.990 1.896) 13.275 19.497 ( 1.042 0.632 7.276) 7.377 21.111 ( 0.451 -4.712 4.740) 6.699 21.488 ( 5.284 16.816 2.465) 17.798 ======================= Grid point 65 (55/226) ======================= q-point: (-0.18 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -13.003 -26.635 -1.047) 29.658 3.279 ( -2.826 4.832 -2.042) 5.958 3.714 ( 17.911 1.829 -2.163) 18.133 4.677 ( -0.048 -7.796 1.528) 7.945 5.000 ( -1.566 6.097 5.040) 8.064 5.473 ( -10.114 -0.110 -9.894) 14.149 6.625 ( 5.236 4.376 3.476) 7.658 6.767 ( -0.746 3.865 -1.517) 4.219 7.294 ( 7.444 12.864 9.753) 17.777 7.479 ( 1.170 11.895 7.313) 14.013 8.626 ( 21.900 -27.085 -5.744) 35.301 8.861 ( -11.959 -10.122 -13.782) 20.867 9.106 ( -8.211 3.455 -0.435) 8.919 9.244 ( -16.738 6.223 6.970) 19.169 9.395 ( 2.249 -22.132 -0.939) 22.265 9.816 ( -3.572 4.135 -4.904) 7.342 10.450 ( 1.408 5.186 14.783) 15.729 10.789 ( 12.898 1.583 -3.829) 13.547 12.163 ( 3.352 9.067 2.955) 10.108 12.677 ( 4.530 -3.701 4.564) 7.420 12.939 ( 3.467 -7.743 3.920) 9.346 13.335 ( -6.269 -3.083 -3.877) 7.990 14.031 ( 14.231 16.285 2.969) 21.830 14.231 ( -20.598 13.058 -14.562) 28.405 16.491 ( -8.915 -11.381 -7.427) 16.253 17.719 ( -0.469 -9.436 -2.807) 9.855 18.629 ( 8.638 -1.279 7.896) 11.773 19.508 ( -1.333 -2.394 2.574) 3.760 21.089 ( -1.304 -2.467 3.114) 4.182 21.768 ( 6.902 13.488 2.138) 15.301 ======================= Grid point 66 (56/226) ======================= q-point: (-0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -4.422 -29.416 -1.707) 29.795 3.291 ( -4.197 9.680 0.589) 10.567 4.137 ( 24.500 6.619 0.121) 25.379 4.560 ( -8.270 -7.005 6.612) 12.696 5.010 ( -5.069 3.145 -1.466) 6.143 5.279 ( -1.128 -5.267 -9.088) 10.565 6.679 ( -1.734 1.932 5.624) 6.194 6.880 ( 6.124 3.260 -2.419) 7.347 7.397 ( -1.781 2.087 3.379) 4.352 7.797 ( 5.034 17.257 9.236) 20.210 8.355 ( -21.932 -2.295 -9.420) 23.979 8.762 ( 18.258 -15.889 -2.995) 24.388 8.950 ( -9.996 -6.120 2.145) 11.916 9.086 ( -9.519 2.947 7.173) 12.279 9.324 ( 4.712 -5.441 -3.969) 8.219 9.784 ( 0.887 -0.090 -7.605) 7.657 10.358 ( -5.648 -5.599 4.570) 9.172 11.166 ( 11.751 7.758 3.492) 14.507 12.296 ( 1.908 4.509 1.712) 5.187 12.708 ( 1.872 -0.301 0.688) 2.017 12.947 ( 2.175 -10.246 -0.310) 10.479 13.361 ( 12.641 -1.043 8.917) 15.504 13.837 ( -21.306 6.515 -14.104) 26.369 14.552 ( 14.809 22.278 4.044) 27.055 16.091 ( -13.504 -16.986 -8.264) 23.220 17.624 ( -0.393 -5.435 -1.643) 5.692 18.786 ( 2.294 2.133 7.197) 7.849 19.471 ( 1.183 -3.512 -1.435) 3.975 21.064 ( -1.287 -0.003 0.526) 1.390 21.988 ( 5.152 6.629 1.209) 8.482 ======================= Grid point 135 (57/226) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 -0.000 39.726) 39.726 0.727 ( 0.000 -0.000 39.726) 39.726 1.341 ( 0.000 -0.000 71.811) 71.811 5.565 ( -0.000 0.000 -8.860) 8.860 6.413 ( -0.000 0.000 -21.469) 21.469 6.413 ( -0.000 0.000 -21.469) 21.469 7.113 ( -0.000 0.000 -8.186) 8.186 7.144 ( 0.000 -0.000 11.786) 11.786 7.144 ( 0.000 0.000 11.786) 11.786 8.087 ( -0.000 0.000 -4.607) 4.607 8.087 ( -0.000 0.000 -4.607) 4.607 8.654 ( -0.000 0.000 -2.803) 2.803 8.654 ( 0.000 -0.000 4.286) 4.286 8.654 ( 0.000 -0.000 4.286) 4.286 9.109 ( 0.000 -0.000 11.421) 11.421 9.710 ( 0.000 -0.000 4.768) 4.768 9.710 ( 0.000 -0.000 4.768) 4.768 10.868 ( -0.000 0.000 -11.470) 11.470 11.993 ( -0.000 0.000 -3.412) 3.412 11.993 ( -0.000 0.000 -3.412) 3.412 13.874 ( 0.000 -0.000 2.059) 2.059 14.089 ( 0.000 -0.000 0.716) 0.716 14.089 ( 0.000 -0.000 0.716) 0.716 15.396 ( -0.000 0.000 -0.461) 0.461 15.396 ( -0.000 0.000 -0.461) 0.461 17.657 ( -0.000 0.000 -0.257) 0.257 17.786 ( 0.000 -0.000 1.347) 1.347 17.786 ( 0.000 -0.000 1.347) 1.347 20.536 ( 0.000 -0.000 2.101) 2.101 22.507 ( -0.000 0.000 -1.000) 1.000 ======================= Grid point 136 (58/226) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -1.088 54.286 19.194) 57.590 1.524 ( 14.286 10.942 44.820) 48.297 2.350 ( 59.945 10.309 44.424) 75.321 5.143 ( -18.046 -9.552 -15.188) 25.447 6.019 ( -8.051 -12.494 -25.324) 29.363 6.466 ( -11.987 -5.473 -7.414) 15.120 6.843 ( -13.780 -4.870 -0.940) 14.645 6.950 ( 0.808 -8.342 -4.802) 9.659 7.495 ( -4.517 -7.230 16.458) 18.535 7.679 ( -5.519 15.941 3.538) 17.236 7.978 ( -0.598 -2.536 -0.942) 2.770 8.301 ( -9.974 8.573 12.413) 18.085 8.601 ( 0.139 -5.435 1.043) 5.536 9.058 ( 2.435 1.083 3.614) 4.490 9.497 ( 17.625 -10.426 -10.001) 22.790 9.888 ( 7.820 2.677 9.066) 12.268 10.045 ( 13.724 16.237 -3.854) 21.607 10.556 ( -6.888 1.371 -5.183) 8.729 11.986 ( 5.779 -7.425 -3.769) 10.135 12.693 ( 21.119 23.751 -35.815) 47.883 13.756 ( -10.828 -4.954 1.591) 12.013 13.945 ( -9.955 -8.322 0.266) 12.978 14.130 ( 3.650 2.496 1.783) 4.768 15.205 ( -9.214 -2.242 23.664) 25.494 15.469 ( 4.926 2.159 1.028) 5.476 17.570 ( -6.130 2.506 -10.833) 12.697 17.847 ( 4.337 4.018 0.964) 5.990 19.185 ( 66.346 28.960 -56.193) 91.641 20.548 ( 0.726 -0.184 1.909) 2.050 22.467 ( -1.945 -1.136 -1.960) 2.986 ======================= Grid point 137 (59/226) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 2.670 51.184 12.059) 52.653 2.131 ( 14.379 15.320 35.187) 40.982 3.676 ( 47.193 4.254 17.826) 50.627 4.769 ( 1.090 -1.377 -5.752) 6.014 5.605 ( -4.291 -15.069 -23.159) 27.961 6.022 ( -26.084 -3.710 -3.681) 26.602 6.341 ( -27.187 -16.891 2.126) 32.077 6.940 ( 3.394 -8.117 -0.642) 8.821 7.426 ( -0.634 0.206 -1.287) 1.449 7.817 ( -1.008 13.308 1.072) 13.389 8.017 ( 0.646 1.957 3.133) 3.750 8.213 ( -9.322 1.112 0.392) 9.396 8.619 ( 3.623 -2.142 6.181) 7.478 9.142 ( 2.985 -0.648 5.986) 6.720 9.605 ( 11.839 -8.923 -3.715) 15.283 10.073 ( 0.787 4.546 7.160) 8.518 10.296 ( 7.862 3.856 -0.632) 8.779 10.585 ( 5.665 13.650 -11.599) 18.787 12.008 ( 7.733 -6.264 -3.888) 10.684 12.823 ( 0.956 11.557 -25.885) 28.364 13.517 ( -11.253 -4.182 1.753) 12.133 13.631 ( -14.236 -10.729 0.176) 17.828 14.253 ( 4.022 3.907 2.501) 6.139 15.194 ( -10.457 -2.192 28.223) 30.177 15.595 ( 5.960 1.030 2.713) 6.628 17.445 ( -3.052 4.055 -12.433) 13.429 18.021 ( 8.983 6.664 0.017) 11.185 19.743 ( 19.466 4.622 -34.634) 39.998 20.618 ( 8.182 0.529 -2.974) 8.721 22.391 ( -3.339 -1.969 -3.543) 5.252 ======================= Grid point 138 (60/226) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -8.346 30.401 10.117) 33.109 2.750 ( 15.648 19.421 19.744) 31.809 3.862 ( -2.659 -6.024 -6.344) 9.144 5.192 ( 5.670 -3.240 -20.661) 21.668 5.464 ( -27.081 -5.762 -9.506) 29.274 5.504 ( 15.581 -13.159 12.352) 23.843 5.898 ( 8.820 2.807 14.671) 17.347 6.895 ( -1.296 -4.391 2.914) 5.427 7.427 ( -5.010 7.492 -4.262) 9.970 7.782 ( 1.704 -20.027 4.175) 20.528 8.071 ( -7.472 5.354 -3.774) 9.936 8.152 ( 2.583 18.892 -5.482) 19.840 8.750 ( 8.439 -1.645 7.796) 11.607 9.197 ( 0.380 -1.710 5.144) 5.434 9.673 ( 7.127 -9.037 -0.071) 11.510 10.032 ( -10.644 2.473 -1.670) 11.055 10.427 ( 3.458 -0.727 4.014) 5.348 10.814 ( 9.354 17.055 -11.683) 22.691 12.090 ( 9.991 -3.310 -3.925) 11.233 12.734 ( -2.957 4.386 -18.954) 19.678 13.269 ( -18.211 0.054 -2.464) 18.377 13.348 ( -4.213 -9.083 4.991) 11.188 14.343 ( 0.222 0.848 4.684) 4.766 15.121 ( -14.432 -1.852 25.748) 29.575 15.714 ( 6.089 -2.614 4.134) 7.810 17.412 ( 1.796 4.876 -9.144) 10.517 18.277 ( 11.386 9.286 -0.753) 14.712 19.722 ( 0.082 -3.078 -19.302) 19.546 20.772 ( 11.682 -0.375 -6.946) 13.596 22.270 ( -4.903 -2.796 -4.282) 7.084 ======================= Grid point 139 (61/226) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -25.321 8.129 2.671) 26.728 3.209 ( 10.684 5.974 13.901) 18.522 3.937 ( 7.573 18.227 -2.889) 19.947 4.813 ( -18.529 -10.992 -14.006) 25.696 5.144 ( -0.699 -0.642 -7.846) 7.903 5.281 ( -7.967 -17.943 8.867) 21.541 6.726 ( 26.875 7.571 6.608) 28.692 6.858 ( 0.148 0.222 3.789) 3.798 7.317 ( -3.741 2.506 0.116) 4.504 7.709 ( 4.462 -6.393 -0.653) 7.823 8.035 ( 7.183 -5.211 -0.582) 8.893 8.380 ( 2.338 23.684 -5.123) 24.344 8.937 ( 8.674 -2.159 4.691) 10.095 9.177 ( -3.114 -1.944 2.927) 4.695 9.607 ( -7.721 -9.894 -1.275) 12.615 9.833 ( -6.454 -1.949 0.244) 6.746 10.427 ( -4.360 -1.102 2.904) 5.354 11.056 ( 7.395 13.978 -8.915) 18.153 12.217 ( 8.999 -0.832 -3.759) 9.788 12.630 ( 1.118 -0.040 -13.432) 13.478 12.979 ( -12.784 -0.175 -1.612) 12.886 13.282 ( -1.450 0.566 2.369) 2.834 14.300 ( -7.423 -8.131 10.732) 15.375 15.005 ( -13.503 3.755 15.117) 20.614 15.798 ( 5.751 -7.072 5.556) 10.675 17.477 ( 4.087 4.196 -3.382) 6.764 18.571 ( 10.849 10.824 -1.086) 15.363 19.534 ( -4.413 -4.799 -12.336) 13.953 20.907 ( 9.320 -0.833 -6.349) 11.308 22.132 ( -4.333 -2.522 -4.334) 6.627 ======================= Grid point 140 (62/226) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -15.627 1.433 6.386) 16.942 3.421 ( 1.286 0.214 8.598) 8.696 4.256 ( 3.223 19.838 -4.798) 20.663 4.389 ( -3.763 -11.381 -12.796) 17.534 5.079 ( -4.634 -8.677 7.118) 12.142 5.213 ( 6.494 1.646 5.517) 8.679 6.698 ( -5.126 -3.582 -7.122) 9.478 6.942 ( -2.025 1.099 2.470) 3.378 7.395 ( 1.323 -0.412 -2.983) 3.289 7.889 ( 7.792 10.815 -4.925) 14.210 8.201 ( 16.185 -10.976 6.769) 20.694 8.668 ( 5.688 20.760 -1.374) 21.569 8.847 ( -10.327 -12.185 -5.311) 16.832 9.170 ( -4.922 -0.932 5.074) 7.130 9.294 ( -4.464 -4.197 -4.780) 7.771 9.814 ( 1.878 -3.709 8.969) 9.886 10.332 ( -5.975 0.605 0.235) 6.010 11.224 ( 3.939 8.087 -4.823) 10.207 12.315 ( 3.744 1.550 -1.752) 4.414 12.634 ( 6.858 0.935 -9.437) 11.703 12.833 ( -2.700 -0.144 0.382) 2.731 13.332 ( 2.827 7.381 -3.902) 8.815 14.056 ( -15.281 -15.758 15.331) 26.774 14.927 ( -9.471 7.643 4.446) 12.957 15.839 ( 4.622 -10.189 6.683) 13.032 17.567 ( 2.866 2.178 1.124) 3.771 18.792 ( 2.620 7.640 -3.493) 8.800 19.400 ( 1.865 -1.524 -4.745) 5.321 21.004 ( 5.772 0.623 -3.685) 6.876 22.038 ( -0.844 -1.219 -4.418) 4.660 ======================= Grid point 141 (63/226) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 10.764 3.417 9.344) 14.658 3.340 ( -13.796 0.831 5.482) 14.869 4.100 ( 1.218 -20.014 -10.588) 22.675 4.562 ( 6.907 20.889 -7.796) 23.342 5.004 ( 1.256 -6.579 8.246) 10.623 5.459 ( 8.875 6.802 13.563) 17.579 6.581 ( -0.107 1.469 -10.603) 10.704 6.934 ( 0.317 -4.606 0.279) 4.625 7.385 ( -2.861 4.203 -2.837) 5.822 7.856 ( -19.962 -2.858 -8.255) 21.790 8.109 ( -13.263 -4.207 1.430) 13.987 8.513 ( 8.991 -12.336 -7.801) 17.142 8.940 ( -12.034 -3.154 -2.979) 12.792 9.068 ( 8.298 6.809 3.496) 11.289 9.417 ( 11.077 5.175 3.358) 12.679 9.894 ( 3.653 -2.958 9.174) 10.308 10.272 ( -3.163 4.658 -1.684) 5.877 11.291 ( 0.449 1.612 -1.447) 2.213 12.365 ( -0.564 3.623 1.174) 3.850 12.737 ( 6.731 4.666 -5.641) 9.945 12.913 ( 11.322 -1.709 2.341) 11.687 13.462 ( 5.904 11.518 -11.492) 17.308 13.700 ( -16.108 -16.105 15.484) 27.543 14.862 ( -7.656 5.416 -0.297) 9.382 15.835 ( 2.314 -10.819 6.615) 12.890 17.627 ( 1.246 0.026 4.208) 4.388 18.726 ( -8.957 0.313 -6.168) 10.879 19.549 ( 11.416 5.142 2.222) 12.716 21.074 ( 1.682 2.415 0.017) 2.943 22.032 ( 4.121 0.419 -5.492) 6.878 ======================= Grid point 142 (64/226) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.105 -4.257 2.409) 4.892 3.147 ( -10.784 -10.837 10.157) 18.355 3.837 ( -5.032 -2.813 -7.500) 9.460 4.859 ( 11.310 18.042 -12.746) 24.817 5.198 ( 21.734 -1.355 9.027) 23.573 5.787 ( 8.782 7.886 18.689) 22.104 6.421 ( -34.451 -16.058 -8.278) 38.901 6.638 ( -4.454 -6.912 -5.521) 9.905 7.283 ( 4.660 -3.064 -4.267) 7.023 7.604 ( -1.811 9.386 -3.878) 10.315 8.018 ( -4.754 9.497 -5.324) 11.880 8.479 ( 3.241 -12.714 -3.401) 13.554 8.701 ( -10.028 -4.517 1.705) 11.129 9.153 ( -0.678 -0.089 1.405) 1.562 9.699 ( 9.457 5.283 2.366) 11.088 9.947 ( 1.015 -3.704 3.239) 5.024 10.292 ( -1.162 7.752 -1.318) 7.949 11.250 ( -3.976 -3.550 0.913) 5.408 12.367 ( -4.081 -0.348 3.855) 5.625 12.902 ( 8.640 8.499 -6.955) 13.973 13.119 ( 11.426 -4.216 -1.007) 12.221 13.444 ( -3.794 -5.123 17.997) 19.092 13.660 ( 8.504 11.335 -11.960) 18.542 14.758 ( -7.083 0.852 -2.391) 7.524 15.783 ( -0.908 -9.296 5.252) 10.715 17.674 ( 1.446 -1.513 6.676) 6.996 18.493 ( -12.369 -1.473 -4.791) 13.346 19.837 ( 12.315 6.183 3.280) 14.165 21.100 ( -2.539 1.944 3.171) 4.504 22.110 ( 7.644 1.921 -7.623) 10.965 ======================= Grid point 143 (65/226) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -22.310 -6.025 3.158) 23.324 2.644 ( -27.231 -29.273 5.226) 40.321 3.933 ( -0.153 9.878 -1.023) 9.932 5.093 ( -2.655 1.499 -9.065) 9.564 5.403 ( -20.086 -17.688 -7.468) 27.787 5.770 ( 29.885 9.875 4.978) 31.865 6.139 ( 9.666 6.791 21.401) 24.445 6.644 ( 4.432 4.486 -7.498) 9.797 7.390 ( 14.089 -6.196 -11.802) 19.396 7.670 ( -8.310 18.904 4.062) 21.045 8.036 ( 1.437 2.456 -2.705) 3.926 8.342 ( -3.167 -6.776 -5.371) 9.208 8.539 ( -4.700 -7.255 6.716) 10.946 9.119 ( -2.690 -1.392 1.100) 3.222 9.808 ( 0.064 0.292 -6.842) 6.849 9.903 ( -4.103 -1.875 5.536) 7.141 10.342 ( -0.776 5.834 -0.903) 5.954 11.089 ( -9.470 -7.934 2.660) 12.638 12.245 ( -7.335 -5.919 2.407) 9.728 13.057 ( 6.115 9.462 -11.738) 16.270 13.299 ( 15.907 -0.352 2.830) 16.160 13.611 ( 6.925 3.670 7.141) 10.603 13.888 ( 9.730 11.104 1.425) 14.833 14.609 ( -6.203 -3.360 -4.192) 8.206 15.686 ( -3.915 -6.918 3.231) 8.581 17.732 ( 2.357 -2.375 7.521) 8.231 18.234 ( -13.005 -1.163 -2.821) 13.358 20.114 ( 10.703 5.636 1.581) 12.199 21.056 ( -5.312 -1.214 2.976) 6.209 22.221 ( 8.016 2.834 -9.525) 12.767 ======================= Grid point 144 (66/226) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -31.469 1.455 18.022) 36.293 1.832 ( -37.816 -23.261 4.471) 44.622 3.235 ( -56.389 -38.217 3.413) 68.205 5.039 ( 15.610 9.537 -3.237) 18.577 5.601 ( 24.633 7.920 -17.680) 31.338 6.313 ( 16.841 11.824 2.827) 20.771 6.525 ( 11.863 7.044 13.632) 19.395 6.820 ( 12.239 8.294 2.097) 14.932 7.396 ( 1.647 -5.810 -16.382) 17.460 7.770 ( -3.224 7.816 13.195) 15.671 8.002 ( -4.567 -2.734 3.196) 6.208 8.204 ( -4.166 -2.761 -2.480) 5.580 8.514 ( 3.388 -0.019 1.331) 3.640 9.060 ( -2.710 -2.227 1.704) 3.900 9.678 ( -4.443 -0.956 -12.048) 12.877 9.830 ( -5.980 -4.896 5.995) 9.781 10.370 ( -1.169 4.449 1.250) 4.767 10.798 ( -14.923 -10.911 1.579) 18.554 12.092 ( -3.083 -5.508 -1.123) 6.412 13.203 ( 6.738 10.460 -12.970) 17.973 13.633 ( 18.626 0.887 -0.440) 18.652 13.733 ( 3.396 6.404 -7.600) 10.503 14.209 ( 3.128 8.533 18.232) 20.372 14.460 ( -0.236 -4.066 -0.124) 4.075 15.558 ( -5.340 -4.773 1.121) 7.249 17.787 ( 1.769 -2.463 5.386) 6.181 18.002 ( -11.433 0.001 -0.886) 11.467 20.318 ( 7.265 4.191 -3.863) 9.234 20.907 ( -7.273 -6.393 -9.532) 13.588 22.320 ( 6.540 3.173 -8.243) 10.991 ======================= Grid point 147 (67/226) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 41.257 23.511 24.234) 53.312 1.833 ( 2.958 24.164 40.475) 47.232 2.570 ( -20.314 40.942 49.149) 67.116 5.102 ( 2.325 -19.304 -11.585) 22.633 5.618 ( -7.162 -26.333 -23.679) 36.130 6.527 ( 3.898 1.150 -23.686) 24.033 6.919 ( -2.726 -5.169 -7.079) 9.179 6.958 ( -8.776 -8.095 7.274) 13.980 7.509 ( 4.025 -13.644 12.868) 19.182 7.779 ( 10.112 12.718 8.175) 18.189 8.078 ( -7.391 0.640 -1.889) 7.656 8.267 ( 17.794 -7.932 4.491) 19.993 8.671 ( -0.012 -8.497 4.529) 9.629 9.042 ( -0.883 6.495 -4.032) 7.695 9.364 ( -23.576 2.901 -0.245) 23.756 9.755 ( 7.414 6.552 4.690) 10.949 10.278 ( 0.199 26.521 -0.288) 26.523 10.504 ( 5.383 -5.353 -5.737) 9.516 11.921 ( -10.440 0.049 -7.294) 12.736 12.494 ( 10.605 26.825 -25.702) 38.634 13.768 ( 0.607 -11.850 1.393) 11.947 13.986 ( 0.017 -11.392 1.186) 11.453 14.125 ( -0.399 5.607 -0.381) 5.635 15.278 ( 1.958 -11.788 18.597) 22.105 15.443 ( -0.537 6.577 1.718) 6.819 17.731 ( 2.153 7.341 -7.263) 10.549 17.856 ( 7.874 4.276 1.192) 9.039 18.782 ( -11.608 65.287 -44.029) 79.597 20.561 ( -0.497 -0.290 2.554) 2.618 22.414 ( -0.024 -7.904 -1.104) 7.980 ======================= Grid point 148 (68/226) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 18.246 36.368 15.858) 43.670 2.483 ( 2.957 32.865 32.744) 46.487 3.148 ( 25.793 18.340 32.689) 45.500 4.783 ( -11.054 -7.079 -7.795) 15.266 5.184 ( 5.411 -28.539 -20.698) 35.667 6.313 ( -13.736 -6.611 -14.951) 21.352 6.617 ( -18.330 -11.132 -5.006) 22.022 6.771 ( -0.369 -5.475 -2.185) 5.906 7.428 ( -4.465 -16.570 12.344) 21.139 8.023 ( 1.021 14.838 -2.408) 15.067 8.063 ( -0.060 7.793 6.328) 10.039 8.431 ( -11.281 -6.115 -2.490) 13.071 8.511 ( 8.369 -7.436 6.711) 13.053 9.140 ( -0.406 1.868 5.679) 5.993 9.239 ( 12.345 -1.304 -9.739) 15.778 10.019 ( 9.075 7.107 6.861) 13.414 10.391 ( 2.592 6.676 -7.058) 10.056 10.608 ( -2.740 17.735 -0.719) 17.960 11.813 ( 3.015 -2.232 -7.116) 8.044 12.719 ( 6.884 11.423 -21.951) 25.685 13.528 ( -7.571 -16.133 1.844) 17.916 13.978 ( -14.498 6.749 -1.119) 16.031 14.087 ( 9.679 -7.529 2.831) 12.585 15.291 ( 0.708 -15.089 20.406) 25.388 15.619 ( 5.262 9.628 6.977) 13.003 17.652 ( -12.726 13.702 -10.641) 21.516 17.996 ( 2.825 8.377 1.929) 9.049 19.209 ( 23.644 27.176 -40.967) 54.552 20.560 ( 0.089 -0.431 1.197) 1.275 22.323 ( 0.920 -9.839 -2.451) 10.181 ======================= Grid point 149 (69/226) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -5.957 42.514 3.985) 43.114 2.881 ( -0.398 18.874 31.441) 36.673 3.730 ( 11.185 -5.501 3.855) 13.047 4.722 ( 18.104 -11.211 -18.524) 28.224 5.124 ( 16.206 -3.480 10.244) 19.486 5.832 ( -22.071 -6.589 -12.383) 26.151 6.106 ( -20.325 -6.965 4.860) 22.029 6.765 ( 6.645 -5.941 -5.756) 10.611 7.327 ( 4.048 -12.006 7.541) 14.744 7.919 ( -16.750 -9.958 1.630) 19.554 8.248 ( -0.322 14.174 -6.946) 15.788 8.266 ( -2.744 12.668 2.882) 13.278 8.600 ( 8.470 -7.034 4.460) 11.880 9.178 ( 1.511 -2.390 6.557) 7.141 9.417 ( 12.332 -1.371 -7.239) 14.365 10.179 ( -2.005 4.405 -3.592) 6.027 10.491 ( 0.262 9.244 4.685) 10.366 10.746 ( 4.897 12.948 -5.191) 14.784 11.860 ( 8.879 -1.726 -5.929) 10.815 12.702 ( -1.898 2.705 -17.177) 17.492 13.291 ( -3.834 -13.850 2.885) 14.657 13.702 ( -22.527 10.358 -1.988) 24.874 14.237 ( 11.427 -8.747 3.978) 14.930 15.237 ( -1.230 -22.095 23.838) 32.527 15.823 ( -1.080 12.507 8.994) 15.443 17.518 ( -9.993 15.757 -12.287) 22.341 18.203 ( 8.654 10.734 1.314) 13.850 19.467 ( 12.094 5.470 -28.533) 31.469 20.595 ( 4.840 0.584 -2.589) 5.520 22.212 ( 0.182 -10.472 -4.163) 11.270 ======================= Grid point 150 (70/226) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -31.112 20.479 -0.170) 37.247 3.219 ( 3.494 3.609 16.904) 17.635 3.938 ( 11.459 16.020 2.568) 19.863 4.712 ( 4.323 -12.995 -12.381) 18.462 5.123 ( -5.738 -13.524 -5.126) 15.560 5.375 ( -15.629 -9.588 -1.969) 18.441 6.382 ( 27.630 17.585 13.776) 35.530 6.787 ( 6.033 -4.501 -2.780) 8.024 7.425 ( 13.551 -9.483 6.319) 17.706 7.498 ( -16.001 -10.221 -3.104) 19.239 8.108 ( -12.114 4.528 -3.810) 13.482 8.549 ( 4.264 22.175 0.180) 22.582 8.759 ( 12.057 -2.707 2.010) 12.520 9.197 ( -1.066 -2.066 3.647) 4.325 9.523 ( 5.976 -4.060 -1.626) 7.405 10.011 ( -14.032 1.043 -6.939) 15.689 10.576 ( -5.090 6.577 6.294) 10.430 10.961 ( 10.076 8.131 -5.394) 14.026 12.000 ( 11.510 0.837 -5.773) 12.904 12.552 ( -2.992 -3.520 -11.721) 12.598 13.135 ( -5.284 -6.438 1.076) 8.398 13.449 ( -15.311 9.692 -1.897) 18.220 14.311 ( 3.485 -9.684 5.618) 11.726 15.105 ( -1.999 -27.639 24.729) 37.140 15.928 ( -7.554 15.352 5.233) 17.892 17.498 ( -1.849 12.273 -7.174) 14.336 18.504 ( 10.731 13.509 0.827) 17.273 19.436 ( 1.156 -2.411 -18.196) 18.391 20.703 ( 8.942 1.296 -5.359) 10.505 22.076 ( -0.374 -10.316 -5.119) 11.522 ======================= Grid point 151 (71/226) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -34.669 15.509 5.691) 38.404 3.358 ( 6.675 -5.511 8.241) 11.952 4.301 ( 3.885 4.369 -4.960) 7.667 4.388 ( -10.529 0.246 -5.762) 12.005 5.074 ( 0.002 -8.059 3.268) 8.697 5.159 ( 4.646 3.205 0.952) 5.724 6.663 ( -0.259 -4.022 -7.180) 8.234 6.964 ( 0.647 -6.109 2.079) 6.485 7.291 ( 7.786 -0.387 -0.133) 7.797 7.714 ( 21.932 -2.390 5.545) 22.749 7.976 ( -3.203 5.605 -3.778) 7.480 8.843 ( 3.429 22.773 0.610) 23.038 8.891 ( -1.349 -0.401 -2.872) 3.199 9.152 ( -0.054 -1.851 1.745) 2.544 9.448 ( -12.683 -4.695 -0.306) 13.527 9.783 ( -2.338 -3.265 0.266) 4.025 10.527 ( -9.463 5.070 3.658) 11.342 11.147 ( 7.629 2.395 -3.221) 8.621 12.187 ( 10.740 3.761 -4.766) 12.337 12.446 ( 4.305 -5.331 -7.702) 10.308 12.977 ( -9.397 1.265 -0.712) 9.509 13.368 ( -2.845 7.396 -3.271) 8.573 14.204 ( -8.363 -13.661 10.205) 18.992 14.948 ( 1.048 -27.371 18.188) 32.879 15.952 ( -9.349 15.649 1.359) 18.280 17.580 ( 1.400 7.609 -0.212) 7.739 18.807 ( 6.202 12.749 0.540) 14.188 19.313 ( 0.800 -2.564 -11.112) 11.432 20.854 ( 9.590 2.717 -4.587) 10.973 21.946 ( 1.157 -9.413 -5.961) 11.202 ======================= Grid point 152 (72/226) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -19.466 21.694 14.261) 32.448 3.465 ( 7.913 -6.373 4.641) 11.170 3.893 ( -14.979 -16.581 -5.158) 22.933 4.573 ( 5.946 13.906 -6.893) 16.621 5.016 ( -2.681 -5.258 5.755) 8.244 5.420 ( 11.767 7.865 7.224) 15.890 6.529 ( -1.624 -2.350 -9.910) 10.313 6.851 ( -0.020 -10.231 -1.283) 10.311 7.380 ( 4.123 2.249 -4.797) 6.713 8.006 ( 5.040 -4.828 -4.547) 8.330 8.110 ( 11.398 4.801 0.635) 12.385 8.495 ( -30.251 -5.449 -4.788) 31.108 9.102 ( 0.297 14.423 -1.692) 14.525 9.140 ( -12.894 0.702 -0.416) 12.920 9.297 ( 10.827 4.725 3.953) 12.457 9.829 ( 5.433 -4.012 7.575) 10.149 10.445 ( -7.801 6.609 2.308) 10.482 11.222 ( 4.216 -4.214 -1.821) 6.233 12.348 ( 6.305 0.199 0.960) 6.381 12.545 ( 13.372 3.660 -9.140) 16.605 12.867 ( -3.987 2.212 0.655) 4.606 13.425 ( 3.190 8.835 -7.387) 11.950 13.904 ( -15.546 -16.808 14.094) 26.886 14.815 ( 3.187 -24.985 10.040) 27.114 15.943 ( -9.147 13.497 0.440) 16.310 17.670 ( 0.228 4.788 4.271) 6.420 18.854 ( -7.677 1.822 -2.511) 8.280 19.404 ( 11.699 6.257 -3.060) 13.615 21.023 ( 7.326 4.851 -1.763) 8.962 21.869 ( 5.090 -7.819 -7.871) 12.207 ======================= Grid point 153 (73/226) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -8.522 24.320 17.056) 30.903 3.383 ( -20.805 -11.859 9.579) 25.793 3.634 ( 13.633 -10.327 -5.484) 17.961 4.778 ( 4.180 14.162 -15.135) 21.145 4.965 ( 7.941 -9.169 12.419) 17.360 5.764 ( 12.773 7.618 8.501) 17.131 6.497 ( 3.846 2.497 -9.507) 10.555 6.714 ( -5.241 -11.579 -3.274) 13.125 7.393 ( -27.573 -6.457 -7.040) 29.181 7.584 ( -0.601 -0.825 -9.614) 9.668 8.192 ( -1.019 -2.655 7.633) 8.145 8.293 ( 1.521 3.456 -7.340) 8.254 8.884 ( -13.051 0.658 -1.599) 13.165 9.218 ( -2.833 7.582 0.770) 8.131 9.590 ( 11.180 7.316 1.189) 13.414 9.926 ( 2.897 -2.502 9.219) 9.982 10.435 ( -3.827 9.225 0.633) 10.007 11.197 ( 1.856 -9.887 -0.130) 10.060 12.410 ( 0.268 -3.497 1.943) 4.010 12.773 ( 10.979 11.744 -12.297) 20.240 12.938 ( 7.724 0.627 2.915) 8.280 13.542 ( 1.886 9.570 -8.587) 12.996 13.609 ( -5.378 -12.161 17.251) 21.780 14.667 ( 2.625 -24.481 4.964) 25.117 15.907 ( -9.372 10.180 0.864) 13.864 17.737 ( -1.316 4.152 6.683) 7.977 18.660 ( -11.350 -2.376 -1.866) 11.746 19.686 ( 13.227 6.796 -0.797) 14.892 21.146 ( 1.453 3.532 0.132) 3.822 21.884 ( 10.178 -3.847 -10.483) 15.109 ======================= Grid point 154 (74/226) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -24.275 22.929 19.860) 38.851 2.886 ( -23.877 -23.025 13.348) 35.755 3.833 ( 15.083 0.787 -4.060) 15.640 4.835 ( 11.612 1.844 -13.484) 17.890 5.325 ( 20.954 -3.640 3.417) 21.540 5.956 ( -24.649 -0.207 -7.305) 25.709 6.222 ( -11.132 3.567 16.666) 20.356 6.562 ( 5.000 4.114 -6.024) 8.844 6.956 ( 7.982 -14.966 -12.035) 20.798 7.797 ( 12.393 7.348 -3.372) 14.797 8.163 ( -7.384 3.989 4.011) 9.302 8.274 ( -0.100 -1.765 -2.954) 3.442 8.673 ( -11.361 0.283 0.112) 11.365 9.197 ( -5.569 2.968 0.680) 6.347 9.760 ( 2.962 3.221 -6.279) 7.653 9.982 ( -1.565 -1.806 11.566) 11.810 10.484 ( -2.904 11.821 -1.468) 12.261 11.085 ( -1.913 -14.590 2.547) 14.934 12.294 ( -6.498 -6.659 -2.978) 9.769 12.983 ( 4.424 9.717 -9.514) 14.301 13.094 ( 12.767 3.702 -2.923) 13.611 13.586 ( 3.694 3.698 6.892) 8.650 13.812 ( 13.343 6.476 10.340) 18.080 14.479 ( 1.742 -24.664 1.515) 24.772 15.828 ( -10.132 6.352 1.389) 12.038 17.794 ( -1.813 4.325 7.054) 8.470 18.415 ( -12.156 -4.247 -0.519) 12.887 19.961 ( 12.528 4.536 -1.710) 13.433 21.117 ( -4.173 -2.422 -4.013) 6.276 22.009 ( 11.626 2.474 -10.116) 15.608 ======================= Grid point 155 (75/226) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -33.878 15.508 28.211) 46.734 2.305 ( -31.289 -13.409 21.823) 40.435 3.782 ( -26.173 -13.845 -10.821) 31.525 4.941 ( -11.431 -5.745 -1.297) 12.859 5.128 ( 20.917 7.454 -19.279) 29.407 6.042 ( 21.756 8.107 -1.277) 23.253 6.483 ( 10.726 -1.406 16.494) 19.726 6.733 ( 9.651 8.989 3.838) 13.736 6.963 ( 15.859 -10.283 -17.112) 25.496 8.007 ( 5.456 -1.714 0.429) 5.735 8.083 ( -9.738 6.248 5.944) 13.008 8.256 ( -0.715 2.236 3.518) 4.229 8.517 ( -5.464 0.635 -2.148) 5.905 9.115 ( -4.885 -1.110 0.899) 5.090 9.689 ( -5.609 0.931 -12.728) 13.940 9.953 ( -6.946 -3.132 10.953) 13.343 10.535 ( -4.281 12.248 -2.475) 13.209 10.867 ( -7.860 -16.004 4.490) 18.387 12.083 ( -6.022 -4.238 -7.522) 10.526 13.105 ( 7.125 5.806 -4.117) 10.071 13.346 ( 14.085 3.862 -13.586) 19.946 13.762 ( 3.766 13.485 2.807) 14.279 14.207 ( 6.065 -11.947 11.022) 17.349 14.319 ( 12.010 -4.721 12.404) 17.900 15.703 ( -10.488 2.682 1.535) 10.933 17.838 ( -2.070 3.251 4.189) 5.692 18.161 ( -11.065 -6.154 0.868) 12.691 20.164 ( 9.569 1.422 -7.360) 12.155 20.905 ( -8.810 -6.131 -14.808) 18.288 22.187 ( 9.201 6.692 -6.405) 13.056 ======================= Grid point 158 (76/226) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -2.082 17.494 20.785) 27.247 2.257 ( -3.488 10.966 40.827) 42.418 3.712 ( -26.025 36.901 19.398) 49.145 4.780 ( 3.774 -2.447 -3.869) 5.933 5.416 ( -7.491 -18.362 -19.112) 27.542 6.103 ( 17.782 -16.766 -12.760) 27.570 6.759 ( 16.085 -6.042 6.742) 18.458 7.097 ( -2.634 9.747 -7.905) 12.823 7.267 ( 5.805 -21.182 6.982) 23.046 7.649 ( 7.517 1.349 -5.101) 9.184 8.043 ( 1.671 -0.276 0.764) 1.858 8.270 ( -1.644 -1.396 7.266) 7.579 8.603 ( -2.636 -1.648 0.324) 3.126 9.165 ( -4.587 4.792 3.010) 7.284 9.735 ( -15.247 -9.780 3.296) 18.411 9.845 ( -3.942 14.895 1.672) 15.498 10.284 ( -1.261 -6.998 -12.105) 14.039 10.526 ( 6.926 25.104 2.599) 26.171 12.078 ( -6.476 3.850 -5.066) 9.079 12.463 ( -3.815 6.601 -22.320) 23.586 13.523 ( 9.802 -13.002 -0.699) 16.299 13.976 ( -0.179 -7.252 0.095) 7.254 14.033 ( 4.930 -1.160 0.389) 5.080 15.291 ( 0.552 -12.220 25.415) 28.206 15.617 ( -6.712 11.132 2.300) 13.201 17.537 ( 15.347 10.863 -9.254) 20.956 17.907 ( -6.404 3.463 -0.573) 7.303 19.429 ( -21.693 30.757 -37.090) 52.842 20.609 ( -2.792 4.318 0.162) 5.145 22.325 ( -0.979 -9.762 -2.343) 10.087 ======================= Grid point 159 (77/226) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 40.959 31.291 17.244) 54.351 2.677 ( 9.520 13.924 36.615) 40.313 3.708 ( -18.714 21.401 6.970) 29.271 4.786 ( 0.006 -13.295 -12.732) 18.408 4.956 ( -15.928 4.939 3.251) 16.990 6.115 ( 9.116 -14.915 -12.304) 21.376 6.722 ( -5.933 -8.078 -5.788) 11.574 6.802 ( -12.938 -8.421 -5.896) 16.525 7.349 ( 2.849 -19.893 14.967) 25.057 8.027 ( 14.847 -0.793 -4.865) 15.644 8.073 ( 18.277 -5.853 2.211) 19.318 8.193 ( -5.460 0.466 2.527) 6.034 8.551 ( -5.973 2.804 -0.382) 6.610 9.110 ( -3.953 7.793 -8.699) 12.330 9.370 ( -13.004 -3.021 6.002) 14.637 10.061 ( 2.860 13.829 4.289) 14.759 10.239 ( 8.243 -1.660 -6.869) 10.858 10.862 ( 1.246 19.328 1.737) 19.446 11.841 ( -10.954 3.601 -10.148) 15.360 12.560 ( 9.592 7.684 -13.714) 18.415 13.511 ( -5.032 -13.439 -0.783) 14.372 13.715 ( 9.008 -15.739 1.580) 18.203 14.266 ( 0.604 8.756 -1.513) 8.907 15.274 ( -3.378 -13.240 19.851) 24.099 15.714 ( 0.978 13.669 8.849) 16.313 17.814 ( 0.552 8.784 -5.725) 10.499 17.949 ( 11.804 4.622 -1.369) 12.750 19.212 ( -11.852 32.038 -37.116) 50.443 20.595 ( -2.820 2.260 0.230) 3.621 22.182 ( -0.110 -13.498 -1.165) 13.549 ======================= Grid point 160 (78/226) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 18.871 26.820 13.454) 35.447 3.317 ( 25.931 10.508 29.872) 40.929 3.578 ( -11.965 7.166 -4.898) 14.782 4.322 ( -5.339 -17.706 -22.800) 29.357 5.156 ( -2.180 22.700 20.225) 30.481 5.902 ( -7.574 -15.101 -12.198) 20.837 6.387 ( -16.573 -6.295 -4.752) 18.354 6.590 ( 0.696 -7.643 -2.930) 8.215 7.201 ( -0.527 -19.204 11.749) 22.519 7.946 ( -4.378 -21.148 -4.956) 22.157 8.247 ( 9.170 8.473 -1.097) 12.533 8.358 ( 12.560 -7.229 2.257) 14.666 8.520 ( -7.493 13.098 1.944) 15.215 9.177 ( 7.528 6.945 -11.016) 15.042 9.264 ( -3.669 1.821 6.433) 7.626 10.194 ( 2.125 8.780 -8.897) 12.679 10.456 ( 11.484 4.536 7.196) 14.291 10.953 ( -8.297 12.475 -0.194) 14.983 11.734 ( 0.371 4.141 -8.018) 9.032 12.641 ( 1.886 2.173 -11.774) 12.120 13.239 ( -5.368 -13.471 0.310) 14.504 13.860 ( 17.465 -13.690 3.007) 22.394 14.188 ( -18.063 12.026 -2.925) 21.896 15.183 ( -2.324 -19.124 18.973) 27.039 15.978 ( 3.944 12.553 14.522) 19.596 17.794 ( -8.666 11.483 -7.551) 16.248 18.177 ( 8.602 8.612 -1.435) 12.257 19.208 ( 4.969 17.106 -31.646) 36.315 20.572 ( -1.407 2.034 -1.235) 2.764 22.044 ( 1.368 -14.744 -1.856) 14.924 ======================= Grid point 161 (79/226) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( -11.332 3.993 3.376) 12.480 3.410 ( -10.481 6.960 -1.813) 12.711 3.892 ( 13.747 8.540 12.325) 20.342 4.329 ( 25.321 2.729 -5.835) 26.127 5.168 ( -19.571 -5.839 1.674) 20.492 5.502 ( -13.593 -11.491 -7.140) 19.178 6.328 ( 8.852 13.631 6.590) 17.538 6.594 ( 7.161 -3.596 0.801) 8.053 7.180 ( 8.652 -11.094 7.871) 16.122 7.541 ( -10.997 -21.193 -8.033) 25.191 8.375 ( -8.360 0.355 0.495) 8.382 8.510 ( 10.612 6.026 -2.508) 12.458 8.637 ( 8.309 11.237 6.211) 15.293 9.239 ( 0.198 1.471 3.013) 3.359 9.371 ( 7.230 4.704 -6.221) 10.635 10.176 ( -7.255 5.593 -10.734) 14.111 10.717 ( 6.186 3.282 9.727) 11.985 10.904 ( -3.894 6.124 -3.257) 7.954 11.814 ( 7.771 5.540 -6.595) 11.600 12.521 ( -5.558 -4.443 -9.487) 11.859 13.099 ( 0.183 -7.437 0.535) 7.458 13.898 ( -21.218 10.726 -3.039) 23.968 14.044 ( 12.763 -12.987 2.808) 18.424 15.030 ( -4.483 -24.681 20.792) 32.582 16.214 ( -1.863 11.456 14.432) 18.520 17.695 ( -9.554 14.479 -9.728) 19.889 18.459 ( 11.903 13.469 -0.378) 17.979 19.246 ( 5.194 3.080 -21.745) 22.568 20.595 ( 2.974 3.553 -3.126) 5.589 21.906 ( 1.435 -14.916 -3.040) 15.290 ======================= Grid point 162 (80/226) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -19.732 -0.723 4.617) 20.278 3.306 ( -6.080 4.570 -3.265) 8.277 4.232 ( 8.177 2.670 2.301) 8.904 4.622 ( -15.501 3.776 6.131) 17.092 4.870 ( 16.002 -0.902 -5.748) 17.027 5.185 ( -7.947 -4.711 -1.091) 9.303 6.545 ( 6.110 -1.271 -7.031) 9.401 6.842 ( 7.278 -3.342 6.632) 10.398 7.160 ( 0.071 -11.090 -4.445) 11.948 7.358 ( 15.906 -5.747 5.067) 17.655 8.212 ( -12.484 9.863 -0.363) 15.914 8.744 ( 12.762 1.785 -0.649) 12.903 8.966 ( 8.217 15.382 4.143) 17.924 9.263 ( -3.235 4.338 2.047) 5.785 9.470 ( 3.668 0.415 -0.834) 3.784 9.929 ( -16.405 1.269 -9.081) 18.794 10.752 ( -8.391 4.059 2.644) 9.689 10.986 ( 9.176 -3.295 0.651) 9.771 12.013 ( 11.125 8.664 -6.198) 15.403 12.316 ( -2.847 -8.918 -6.169) 11.212 13.059 ( -0.651 -1.604 -0.897) 1.950 13.618 ( -18.288 9.676 -3.440) 20.974 14.118 ( 7.884 -14.501 2.863) 16.752 14.795 ( -5.988 -29.175 21.206) 36.562 16.307 ( -8.890 13.303 7.589) 17.708 17.676 ( -2.904 11.596 -4.007) 12.608 18.822 ( 11.340 16.589 0.834) 20.112 19.180 ( 1.142 -3.670 -14.104) 14.618 20.713 ( 7.649 5.653 -3.360) 10.087 21.764 ( 1.702 -14.300 -4.367) 15.048 ======================= Grid point 163 (81/226) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -16.958 5.758 9.368) 20.211 3.263 ( -1.034 2.261 -0.998) 2.679 4.074 ( -14.667 -11.257 2.809) 18.701 4.586 ( 1.083 8.810 -1.285) 8.969 5.015 ( 1.418 -2.062 -1.014) 2.700 5.299 ( 13.198 6.816 3.134) 15.181 6.492 ( -4.413 -3.216 -8.493) 10.097 6.701 ( 2.458 -13.326 -2.495) 13.779 7.240 ( 7.276 -4.896 -4.422) 9.821 7.622 ( 17.505 -8.117 2.730) 19.488 8.222 ( -3.112 17.002 -0.027) 17.284 8.873 ( -8.640 4.418 -3.340) 10.263 9.219 ( 5.854 7.100 3.582) 9.875 9.269 ( -3.513 12.080 -3.170) 12.973 9.400 ( -14.659 1.884 4.174) 15.358 9.733 ( 4.008 -1.908 1.692) 4.751 10.637 ( -7.770 2.025 -0.760) 8.066 11.061 ( 5.721 -8.907 0.617) 10.604 12.189 ( 6.166 -7.297 -0.926) 9.598 12.323 ( 13.120 9.811 -7.004) 17.817 12.999 ( -6.070 2.042 -1.238) 6.523 13.470 ( -5.078 6.863 -3.949) 9.406 14.027 ( -5.772 -13.149 4.846) 15.156 14.541 ( -0.447 -31.296 16.069) 35.183 16.292 ( -11.599 14.876 1.292) 18.908 17.751 ( 0.199 7.438 2.727) 7.925 18.988 ( -7.024 -0.890 0.046) 7.081 19.230 ( 13.819 9.948 -7.175) 18.477 20.923 ( 9.770 8.259 -1.408) 12.871 21.636 ( 3.610 -12.943 -6.768) 15.045 ======================= Grid point 164 (82/226) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -3.507 15.542 11.346) 19.560 3.299 ( 3.659 -0.786 -0.062) 3.743 3.705 ( -18.962 -10.581 10.557) 24.144 4.740 ( 8.320 8.276 -1.901) 11.888 4.918 ( -7.135 -7.421 -1.612) 10.420 5.588 ( 14.380 2.015 -1.019) 14.556 6.397 ( 2.733 0.575 -6.360) 6.946 6.641 ( -0.203 -4.826 0.106) 4.832 7.310 ( 12.447 -2.429 -7.453) 14.710 7.702 ( -2.100 -11.623 -7.671) 14.083 8.266 ( -13.334 7.449 0.125) 15.274 8.513 ( -19.598 5.244 2.425) 20.432 9.099 ( -11.520 1.016 -5.502) 12.806 9.399 ( -4.548 12.788 0.133) 13.573 9.489 ( 9.994 7.489 2.989) 12.842 9.896 ( 7.014 0.279 12.345) 14.201 10.545 ( -2.310 0.354 -2.862) 3.695 11.034 ( 3.235 -11.417 0.755) 11.891 12.267 ( 10.188 -7.651 1.805) 12.868 12.626 ( 11.760 13.665 -11.427) 21.345 12.931 ( -2.180 3.280 2.600) 4.719 13.515 ( 3.945 7.196 -3.347) 8.863 13.761 ( -12.706 -10.877 8.641) 18.826 14.352 ( 4.218 -30.037 8.530) 31.508 16.227 ( -12.282 13.118 -0.857) 17.991 17.843 ( -0.243 5.326 5.653) 7.771 18.806 ( -9.596 -5.396 1.397) 11.097 19.521 ( 12.281 8.609 -4.713) 15.721 21.139 ( 4.175 5.876 0.225) 7.212 21.586 ( 10.151 -6.549 -9.995) 15.679 ======================= Grid point 165 (83/226) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( -0.060 14.990 10.921) 18.546 3.187 ( -23.883 -0.029 15.409) 28.423 3.517 ( 7.531 -10.661 3.823) 13.601 4.696 ( -1.825 -9.837 -0.783) 10.035 5.008 ( 13.832 9.586 -7.541) 18.441 5.822 ( 16.483 -5.544 -6.488) 18.561 6.490 ( 5.968 6.951 -3.321) 9.745 6.617 ( -1.703 2.139 5.134) 5.817 7.071 ( -43.613 -6.951 -10.765) 45.457 7.531 ( 17.544 0.392 -6.384) 18.673 8.142 ( 0.043 -7.284 8.854) 11.465 8.440 ( -7.379 9.625 0.686) 12.148 8.885 ( -11.844 2.869 -5.398) 13.329 9.361 ( -8.351 4.031 -2.269) 9.547 9.691 ( 5.703 3.571 -3.336) 7.511 10.067 ( 0.854 0.826 16.311) 16.354 10.540 ( 3.824 -0.921 -3.819) 5.482 10.974 ( 0.391 -8.218 2.386) 8.566 12.298 ( -1.215 -4.799 -2.103) 5.378 12.844 ( 13.062 7.693 -14.643) 21.077 13.024 ( 0.007 7.876 -0.578) 7.897 13.619 ( 2.150 -7.280 18.740) 20.219 13.723 ( 9.517 13.632 0.178) 16.626 14.167 ( 3.552 -28.698 3.866) 29.174 16.115 ( -12.840 8.339 -0.465) 15.317 17.907 ( -1.265 3.268 4.339) 5.577 18.577 ( -11.969 -5.996 3.566) 13.854 19.764 ( 12.203 3.885 -5.368) 13.885 21.116 ( -3.795 -4.061 -6.513) 8.562 21.770 ( 14.606 6.285 -6.792) 17.290 ======================= Grid point 166 (84/226) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -25.103 -17.082 22.511) 37.798 3.120 ( -28.871 24.197 22.880) 44.074 3.584 ( 16.177 -15.119 -8.269) 23.636 4.789 ( 16.687 6.394 -5.598) 18.726 5.183 ( -2.380 4.095 -11.522) 12.458 5.903 ( 3.248 -3.614 -9.705) 10.853 6.283 ( -14.559 -15.006 -1.643) 20.973 6.692 ( 4.756 2.760 -0.042) 5.499 6.770 ( 7.059 18.666 7.856) 21.447 7.777 ( 14.799 -3.550 -4.752) 15.944 8.165 ( 3.067 -6.758 10.327) 12.717 8.408 ( -7.391 8.914 2.954) 11.950 8.672 ( -12.134 2.255 -6.204) 13.813 9.202 ( -7.362 -3.443 -1.484) 8.262 9.707 ( -1.803 1.633 -9.463) 9.770 10.120 ( -4.707 -1.508 13.889) 14.742 10.559 ( 3.495 -7.735 -1.515) 8.622 10.922 ( -4.849 2.824 1.897) 5.924 12.143 ( -8.279 0.291 -8.296) 11.724 13.029 ( 12.010 -1.706 -7.440) 14.230 13.074 ( 2.805 8.195 -10.183) 13.369 13.838 ( 7.856 7.633 12.736) 16.798 13.950 ( 2.084 -26.071 0.904) 26.170 14.172 ( 19.743 11.977 17.115) 28.743 15.943 ( -12.968 1.810 0.877) 13.124 17.894 ( -2.223 -3.628 -1.367) 4.468 18.335 ( -13.304 -2.701 5.194) 14.535 19.940 ( 10.643 -0.558 -9.439) 14.236 20.917 ( -7.368 -2.717 -12.566) 14.818 22.050 ( 11.964 8.798 -4.103) 15.407 ======================= Grid point 169 (85/226) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -21.746 10.189 9.847) 25.955 2.670 ( -8.980 6.408 31.363) 33.247 3.908 ( 7.165 -5.653 -12.669) 15.614 5.009 ( -7.395 -5.402 -13.223) 16.085 5.526 ( 14.112 -14.851 -1.688) 20.556 5.649 ( -20.503 32.352 12.927) 40.425 6.316 ( 32.077 -2.632 10.726) 33.925 7.003 ( 6.214 -6.358 4.822) 10.115 7.178 ( -6.872 -11.533 -5.728) 14.596 7.662 ( -14.910 -3.590 -14.214) 20.910 7.962 ( 1.599 -9.884 -4.332) 10.909 8.256 ( 11.131 13.659 5.251) 18.386 8.744 ( -9.158 2.189 4.624) 10.490 9.262 ( 1.230 2.640 5.225) 5.982 9.877 ( -3.787 0.087 6.764) 7.753 9.960 ( 3.555 1.637 -2.236) 4.508 10.280 ( -17.454 -5.526 -17.408) 25.263 10.631 ( 6.412 14.614 4.061) 16.467 12.161 ( -0.321 8.417 -3.546) 9.139 12.470 ( -8.167 -2.636 -16.507) 18.605 13.221 ( 8.562 -13.406 -2.202) 16.058 13.719 ( 20.470 4.086 4.194) 21.291 14.109 ( -15.072 -13.643 -2.183) 20.447 15.251 ( 7.422 -16.043 27.731) 32.886 15.876 ( -3.736 15.989 5.342) 17.267 17.405 ( 5.743 10.463 -7.880) 14.302 18.091 ( -11.347 4.127 -2.736) 12.380 19.630 ( -3.750 7.978 -23.692) 25.279 20.747 ( -5.387 10.169 -5.248) 12.648 22.215 ( -0.061 -10.350 -3.960) 11.082 ======================= Grid point 170 (86/226) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 15.529 32.726 16.262) 39.706 2.900 ( 3.204 9.793 29.693) 31.430 3.831 ( 1.198 -8.316 -12.300) 14.896 4.681 ( -9.602 -12.657 -16.828) 23.142 5.595 ( -1.849 1.031 14.556) 14.709 5.750 ( -6.266 22.633 2.870) 23.659 6.676 ( -0.351 -8.350 2.088) 8.614 6.825 ( -3.441 -13.459 -5.310) 14.872 7.158 ( 7.369 -9.842 6.758) 14.029 7.515 ( 17.324 -6.098 -8.322) 20.163 7.864 ( 2.691 -13.953 -2.512) 14.431 8.395 ( -10.724 2.852 3.517) 11.641 8.700 ( -1.092 15.215 -2.631) 15.480 9.289 ( -8.766 4.859 -1.277) 10.104 9.547 ( -13.578 -9.007 1.401) 16.353 10.036 ( 4.886 -2.958 -10.705) 12.134 10.187 ( 4.263 11.074 6.670) 13.612 10.954 ( 7.435 14.219 1.979) 16.167 12.052 ( -13.069 6.016 -11.392) 18.351 12.398 ( 6.933 2.673 -6.866) 10.117 13.280 ( 12.299 -10.120 -0.401) 15.932 13.646 ( -14.587 -16.720 -2.262) 22.304 14.146 ( 17.761 4.967 1.928) 18.543 15.345 ( -0.960 -13.953 25.467) 29.055 15.969 ( -5.643 19.237 4.477) 20.541 17.670 ( 14.690 11.076 -6.285) 19.442 17.962 ( -5.702 3.341 -1.397) 6.755 19.460 ( -9.660 12.585 -26.967) 31.288 20.713 ( -5.805 7.990 -4.285) 10.766 22.049 ( -1.566 -14.712 -1.804) 14.904 ======================= Grid point 171 (87/226) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 32.664 24.811 13.894) 43.308 3.280 ( 8.924 10.742 20.530) 24.830 3.666 ( -2.451 -8.578 -6.292) 10.917 4.254 ( -13.056 -8.492 -17.152) 23.168 5.626 ( 2.751 -13.062 2.006) 13.499 5.887 ( -14.709 33.753 10.836) 38.380 6.401 ( -9.220 -16.063 -4.398) 19.036 6.620 ( -6.976 -0.239 -6.412) 9.479 7.111 ( -1.678 -19.512 14.744) 24.514 7.660 ( 5.520 -21.589 -8.987) 24.027 7.903 ( 21.555 -8.712 -0.090) 23.249 8.310 ( -0.674 6.869 2.370) 7.298 8.785 ( -7.156 13.306 -0.335) 15.112 9.140 ( -2.129 8.047 -10.353) 13.284 9.395 ( -6.105 -2.775 4.374) 8.006 10.119 ( 8.854 3.180 -6.147) 11.238 10.423 ( 5.646 9.171 7.706) 13.243 11.113 ( -0.864 5.180 -0.976) 5.341 11.852 ( -10.306 9.938 -9.686) 17.286 12.522 ( 7.470 0.707 -5.452) 9.275 13.236 ( -9.855 -11.707 -2.137) 15.451 13.452 ( 15.103 -12.220 1.880) 19.518 14.414 ( 4.218 7.823 -1.945) 9.098 15.225 ( -9.854 -15.629 19.277) 26.702 16.177 ( 0.566 18.542 12.767) 22.519 17.926 ( -0.321 7.612 -3.401) 8.343 17.997 ( 13.681 3.744 -4.360) 14.839 19.253 ( -8.547 13.086 -26.832) 31.053 20.659 ( -5.346 6.371 -3.846) 9.163 21.874 ( -0.124 -15.947 -0.023) 15.948 ======================= Grid point 172 (88/226) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( 0.146 -8.867 -17.850) 19.932 3.475 ( 4.744 10.987 7.991) 14.390 3.750 ( 16.486 -4.081 22.935) 28.539 4.067 ( 6.129 14.117 -8.246) 17.460 5.404 ( -7.742 -14.261 -11.664) 19.984 5.811 ( -31.405 5.541 11.845) 34.019 6.234 ( 7.660 1.511 -4.784) 9.157 6.591 ( 1.089 5.143 7.028) 8.777 7.028 ( 1.701 -8.726 10.185) 13.519 7.377 ( -3.155 -23.582 -9.981) 25.801 8.147 ( 16.052 -4.779 -1.486) 16.814 8.535 ( 11.806 8.800 5.496) 15.717 8.752 ( -8.469 7.201 2.375) 11.367 9.228 ( 3.554 10.454 -10.131) 14.985 9.312 ( 0.542 -2.672 1.691) 3.208 10.247 ( 1.699 7.124 -6.142) 9.559 10.640 ( 7.017 2.357 7.856) 10.794 11.044 ( -6.472 -0.478 -3.606) 7.424 11.807 ( -1.662 12.104 -6.399) 13.791 12.524 ( -3.476 -3.293 -5.799) 7.520 13.022 ( -1.182 -7.687 -0.812) 7.819 13.620 ( 16.203 -13.117 2.460) 20.991 14.386 ( -16.536 12.018 -5.001) 21.045 15.007 ( -6.164 -19.956 16.425) 26.571 16.444 ( -0.621 12.617 19.101) 22.900 17.911 ( -6.609 8.019 -5.935) 11.967 18.284 ( 17.741 7.064 -7.721) 20.597 19.136 ( -1.113 7.880 -18.717) 20.339 20.629 ( -2.662 6.903 -3.424) 8.152 21.724 ( 0.635 -15.683 0.479) 15.703 ======================= Grid point 173 (89/226) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -7.919 -12.530 -9.189) 17.440 3.566 ( -5.523 12.552 2.948) 14.027 4.061 ( 12.528 -8.748 7.105) 16.851 4.493 ( 22.515 11.205 -5.459) 25.735 5.003 ( -16.680 -6.598 -6.222) 18.987 5.416 ( -22.682 3.105 11.334) 25.546 6.353 ( 8.313 -1.557 -4.690) 9.671 6.786 ( 5.399 0.724 8.793) 10.344 6.956 ( -1.109 -18.556 -10.231) 21.218 7.185 ( 5.657 1.016 4.978) 7.604 8.369 ( 10.217 1.792 2.292) 10.623 8.685 ( -6.636 9.489 1.169) 11.638 8.903 ( 15.526 5.777 8.647) 18.687 9.264 ( 2.585 1.888 -4.946) 5.892 9.417 ( 5.897 5.223 -3.869) 8.776 10.175 ( -12.630 4.822 -6.819) 15.141 10.787 ( 7.353 -7.764 1.277) 10.769 10.911 ( -5.330 1.190 0.273) 5.468 11.944 ( 5.576 13.852 -4.100) 15.485 12.302 ( -9.159 -8.100 -5.163) 13.272 13.001 ( 3.404 -2.598 -0.778) 4.353 13.759 ( 14.133 -15.066 2.067) 20.760 14.080 ( -24.770 8.222 -4.228) 26.439 14.801 ( -7.371 -18.531 13.596) 24.137 16.601 ( -5.798 7.599 16.646) 19.195 17.835 ( -5.928 9.697 -7.138) 13.421 18.646 ( 20.513 8.270 -11.843) 25.089 19.111 ( -0.473 3.381 -4.606) 5.733 20.682 ( 2.220 8.959 -2.543) 9.574 21.584 ( 0.285 -14.575 0.075) 14.578 ======================= Grid point 174 (90/226) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -5.551 -11.272 -1.434) 12.646 3.589 ( -10.083 13.694 3.232) 17.310 4.070 ( 1.321 -13.124 -3.107) 13.551 4.712 ( -4.206 3.384 -0.104) 5.399 4.880 ( 9.101 -0.859 -3.809) 9.903 5.291 ( -5.102 9.422 8.772) 13.848 6.462 ( 8.748 -0.844 -1.607) 8.934 6.538 ( -8.767 -11.752 -8.740) 17.069 7.016 ( 8.257 -8.046 2.126) 11.724 7.362 ( 9.717 0.258 0.961) 9.768 8.498 ( -5.784 14.527 4.664) 16.317 8.842 ( 11.863 6.819 2.866) 13.980 9.236 ( 9.481 3.547 7.078) 12.352 9.296 ( 1.639 2.474 -8.429) 8.936 9.547 ( 5.968 5.644 1.783) 8.405 9.872 ( -19.789 1.957 -4.841) 20.467 10.678 ( -2.294 -11.106 -7.960) 13.855 10.932 ( 1.217 -2.608 5.793) 6.469 12.054 ( -2.624 -8.128 -3.553) 9.250 12.217 ( 9.456 13.709 -2.198) 16.798 13.039 ( 1.925 0.861 -1.152) 2.403 13.721 ( -19.071 3.714 -2.298) 19.565 13.823 ( 9.955 -16.408 0.728) 19.205 14.528 ( -12.527 -16.414 10.721) 23.265 16.613 ( -9.462 7.835 7.232) 14.255 17.838 ( -0.955 7.306 -1.035) 7.440 18.885 ( 11.250 -5.156 -14.394) 18.982 19.193 ( 2.895 12.163 5.647) 13.719 20.860 ( 7.705 11.696 -0.964) 14.039 21.444 ( -0.073 -12.834 -1.523) 12.924 ======================= Grid point 175 (91/226) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 3.060 -6.846 0.013) 7.499 3.567 ( -8.533 12.871 4.799) 16.171 3.872 ( -7.965 -15.472 4.699) 18.025 4.715 ( -1.961 0.196 4.190) 4.630 4.921 ( 2.414 2.062 -6.868) 7.566 5.406 ( 4.442 1.271 -1.273) 4.793 6.353 ( -0.345 1.352 -4.563) 4.772 6.626 ( 5.247 5.656 4.376) 8.870 7.014 ( 7.210 -9.233 -5.960) 13.143 7.501 ( 7.833 -5.595 -0.794) 9.658 8.565 ( -7.569 15.944 1.856) 17.747 8.977 ( -17.796 7.392 -1.351) 19.317 9.166 ( -3.727 -4.315 -8.106) 9.910 9.412 ( 8.333 -0.274 4.752) 9.597 9.612 ( -9.715 6.281 -0.914) 11.605 9.849 ( 12.922 9.503 12.082) 20.081 10.452 ( -1.211 -16.855 -7.307) 18.410 10.925 ( 0.383 -4.452 1.479) 4.706 12.021 ( 8.544 -5.949 0.599) 10.428 12.517 ( 10.116 13.333 -5.429) 17.595 13.042 ( -3.446 2.722 1.440) 4.621 13.540 ( -3.285 2.687 -0.095) 4.245 13.784 ( 2.815 -12.959 -1.299) 13.324 14.201 ( -12.023 -16.137 7.904) 21.620 16.538 ( -11.012 8.153 0.420) 13.708 17.905 ( 0.976 3.157 2.698) 4.266 18.842 ( -0.023 -8.920 -0.667) 8.945 19.417 ( 6.506 10.002 -2.354) 12.162 21.141 ( 6.827 12.010 1.895) 13.944 21.324 ( 4.267 -8.266 -6.038) 11.090 ======================= Grid point 176 (92/226) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 14.625 -3.452 -2.565) 15.244 3.506 ( -12.073 -19.978 7.664) 24.568 3.693 ( -4.406 13.855 13.055) 19.540 4.620 ( -5.295 -10.473 6.443) 13.388 4.996 ( 2.414 14.177 -10.912) 18.052 5.446 ( 8.666 -7.188 -8.131) 13.889 6.465 ( 5.896 10.427 -0.281) 11.982 6.719 ( -3.363 3.446 7.340) 8.778 7.158 ( 17.799 1.000 -7.253) 19.246 7.451 ( -7.662 -5.215 -5.054) 10.556 8.388 ( -27.015 2.198 2.058) 27.182 8.690 ( -9.934 8.554 3.283) 13.514 9.041 ( -7.264 1.596 -6.276) 9.731 9.478 ( -3.721 -5.647 -2.230) 7.121 9.590 ( 4.362 1.713 -1.525) 4.928 10.156 ( 0.789 -3.395 11.454) 11.972 10.328 ( 9.562 -6.274 2.168) 11.640 10.922 ( 3.457 -0.522 -1.577) 3.835 12.176 ( 10.007 -2.727 1.908) 10.546 12.678 ( 3.774 7.172 -13.781) 15.988 13.100 ( 2.731 7.381 4.293) 8.965 13.569 ( 2.812 -8.947 6.621) 11.480 13.764 ( 4.377 11.456 -0.991) 12.303 13.920 ( -4.738 -19.550 5.703) 20.909 16.397 ( -12.476 4.583 -1.708) 13.400 17.933 ( 0.042 -2.700 0.395) 2.729 18.733 ( -6.715 -5.195 7.847) 11.561 19.577 ( 8.099 3.367 -6.860) 11.135 21.110 ( -4.732 -4.136 -4.742) 7.873 21.567 ( 15.104 11.636 -2.869) 19.281 ======================= Grid point 177 (93/226) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 8.893 -0.665 -0.495) 8.931 3.073 ( -7.559 -36.338 10.516) 38.577 3.879 ( -13.236 24.025 14.249) 30.910 4.547 ( 8.526 -5.319 4.443) 10.987 5.121 ( 4.880 13.222 -14.693) 20.359 5.477 ( 13.627 -14.755 -9.932) 22.407 6.674 ( 3.315 5.354 1.705) 6.524 6.698 ( -13.548 5.626 0.065) 14.670 7.075 ( -20.077 10.994 4.116) 23.257 7.455 ( 14.103 2.163 -6.555) 15.702 8.121 ( -3.170 -6.918 8.751) 11.596 8.658 ( -8.389 9.019 3.927) 12.928 8.868 ( -11.505 2.288 -4.863) 12.699 9.266 ( -7.501 -8.317 -2.301) 11.434 9.640 ( 3.829 -2.796 -5.691) 7.407 10.124 ( 5.150 -13.140 1.145) 14.159 10.445 ( 0.452 -3.843 10.593) 11.278 11.019 ( 2.231 8.606 -1.235) 8.976 12.226 ( -3.046 1.122 -3.402) 4.702 12.743 ( 9.289 2.278 -14.633) 17.481 13.140 ( -4.327 4.463 -5.350) 8.202 13.682 ( 1.248 -19.288 0.013) 19.328 13.752 ( 13.665 -5.620 21.563) 26.140 14.130 ( 14.117 21.677 7.081) 26.820 16.172 ( -13.650 -2.844 -1.086) 13.986 17.842 ( -2.305 -9.470 -4.032) 10.547 18.604 ( -12.000 1.242 9.139) 15.135 19.688 ( 9.627 -1.755 -9.855) 13.888 20.955 ( -5.885 0.368 -8.178) 10.082 21.906 ( 12.797 10.015 -2.679) 16.470 ======================= Grid point 180 (94/226) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -0.357 4.576 4.011) 6.096 3.092 ( -16.190 3.925 19.016) 25.281 3.709 ( -0.950 -4.809 -5.311) 7.227 4.823 ( 5.952 -12.647 -12.754) 18.922 5.133 ( 6.926 -4.916 -5.201) 9.959 5.791 ( 28.490 1.759 9.444) 30.066 6.586 ( -21.291 15.779 10.125) 28.369 6.929 ( 4.230 0.469 1.177) 4.416 7.185 ( -11.577 0.870 3.715) 12.190 7.746 ( 4.769 -11.800 -6.306) 14.204 7.833 ( -21.432 -9.212 -13.243) 26.825 8.313 ( 7.419 25.194 3.607) 26.511 8.968 ( -8.036 4.901 6.407) 11.386 9.247 ( 4.806 0.276 3.134) 5.744 9.757 ( 10.925 -7.307 -7.566) 15.166 9.943 ( 4.742 3.568 9.929) 11.568 10.450 ( -11.844 -2.051 -14.690) 18.981 10.674 ( -4.169 0.808 2.154) 4.762 12.234 ( -1.522 6.550 -3.268) 7.476 12.488 ( -6.016 -0.901 -11.628) 13.123 12.957 ( 5.979 -9.825 -2.063) 11.684 13.470 ( 15.186 2.834 5.579) 16.424 14.214 ( -13.418 -12.670 -2.307) 18.598 15.046 ( 13.451 -19.667 23.503) 33.468 16.104 ( 2.793 18.468 9.297) 20.864 17.441 ( -1.311 9.280 -2.820) 9.787 18.335 ( -14.372 3.864 -4.624) 15.584 19.537 ( 3.563 1.088 -15.157) 15.608 20.891 ( -3.852 9.426 -7.074) 12.399 22.080 ( 0.425 -10.066 -4.605) 11.077 ======================= Grid point 181 (95/226) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 2.215 29.956 9.425) 31.481 3.101 ( -1.124 4.983 19.489) 20.147 3.642 ( 1.850 -7.430 -4.094) 8.683 4.621 ( -6.385 -8.852 -13.006) 16.979 5.224 ( 13.231 -11.340 -0.723) 17.441 6.351 ( 22.666 -0.998 8.790) 24.331 6.418 ( -6.660 -0.816 0.051) 6.711 6.979 ( -4.919 3.658 4.201) 7.432 7.050 ( -11.742 9.684 4.978) 16.013 7.332 ( -12.064 -9.408 -9.131) 17.817 7.669 ( 2.473 -11.793 -4.200) 12.760 8.623 ( -5.049 11.271 2.923) 12.692 8.885 ( -5.512 14.109 -1.369) 15.209 9.372 ( 3.865 1.989 3.741) 5.735 9.722 ( -10.738 -7.510 -3.784) 13.639 9.898 ( -7.383 -5.997 -12.809) 15.954 10.187 ( 8.096 2.965 6.390) 10.732 10.927 ( 11.322 9.524 3.315) 15.162 12.218 ( -4.795 5.705 -9.125) 11.782 12.320 ( -2.751 -1.457 -5.137) 6.006 13.001 ( 9.030 -5.991 -0.314) 10.841 13.726 ( -9.952 -12.938 -1.528) 16.395 13.890 ( 13.163 0.456 3.696) 13.680 15.263 ( 11.778 -15.386 24.200) 31.001 16.285 ( -5.552 18.011 2.931) 19.074 17.591 ( 5.847 12.521 0.384) 13.824 18.122 ( -10.630 3.644 -4.354) 12.051 19.477 ( -1.432 2.899 -18.192) 18.477 20.863 ( -5.053 8.973 -7.539) 12.763 21.914 ( -1.619 -14.955 -2.915) 15.322 ======================= Grid point 182 (96/226) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 12.568 28.911 12.101) 33.767 3.329 ( 7.604 6.553 10.193) 14.307 3.563 ( 0.148 -8.994 1.724) 9.158 4.325 ( -11.062 -1.494 -11.834) 16.267 5.289 ( 10.607 -18.695 0.141) 21.495 6.197 ( -5.629 -6.436 -7.276) 11.227 6.618 ( 0.272 -0.930 -6.536) 6.607 6.856 ( -16.798 5.164 8.800) 19.654 7.071 ( -2.288 8.063 12.241) 14.835 7.221 ( 10.725 -13.597 -2.826) 17.547 7.590 ( 4.888 -8.637 1.506) 10.038 8.467 ( -10.291 3.348 -0.347) 10.827 9.024 ( -4.100 17.056 -3.121) 17.817 9.257 ( -13.339 -2.088 -5.294) 14.502 9.452 ( -2.652 -3.761 -0.164) 4.605 9.944 ( 10.470 3.408 -3.140) 11.450 10.429 ( 8.880 4.993 7.073) 12.402 11.129 ( 2.409 2.184 -0.095) 3.253 12.081 ( -10.179 9.917 -10.587) 17.721 12.352 ( 8.360 -2.031 -1.391) 8.715 13.126 ( 11.429 -5.853 1.108) 12.888 13.325 ( -13.897 -11.630 -2.666) 18.316 14.253 ( 17.299 3.068 2.310) 17.720 15.343 ( -3.091 -15.636 21.953) 27.129 16.418 ( 0.513 20.026 0.066) 20.033 17.831 ( 6.739 9.596 1.309) 11.799 18.010 ( -3.795 3.280 -1.668) 5.286 19.322 ( -6.029 3.641 -20.155) 21.350 20.807 ( -6.018 8.562 -7.182) 12.693 21.725 ( -0.741 -16.180 0.257) 16.199 ======================= Grid point 183 (97/226) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 5.107 3.614 -12.006) 13.538 3.539 ( 6.684 10.452 5.847) 13.715 3.599 ( 7.596 -10.797 18.371) 22.622 4.169 ( -4.769 13.907 -7.084) 16.320 5.210 ( 3.406 -18.422 -4.381) 19.239 5.996 ( -2.076 -10.592 -7.315) 13.038 6.526 ( -11.551 10.083 -3.004) 15.624 6.667 ( -8.848 -3.986 11.485) 15.036 7.086 ( -2.968 -17.346 -4.509) 18.167 7.166 ( -5.046 7.972 9.792) 13.598 7.792 ( 18.985 -2.588 1.878) 19.252 8.481 ( 4.916 6.468 2.361) 8.460 8.944 ( -7.542 2.138 2.185) 8.138 9.223 ( 2.599 8.585 -5.518) 10.531 9.323 ( -5.819 -2.599 -4.819) 7.990 10.167 ( 9.647 4.204 -0.063) 10.524 10.642 ( 4.537 4.944 5.126) 8.444 11.070 ( -4.145 -5.355 -3.677) 7.705 11.985 ( -6.946 13.021 -6.953) 16.314 12.464 ( 4.931 -2.132 -1.335) 5.535 13.019 ( -8.209 -6.869 -2.375) 10.964 13.277 ( 12.448 -7.799 1.884) 14.809 14.523 ( 7.957 5.861 -2.643) 10.230 15.121 ( -15.488 -16.043 15.142) 26.954 16.684 ( 3.563 16.030 8.925) 18.690 18.010 ( 7.413 2.746 -2.263) 8.223 18.013 ( 0.266 5.069 -4.026) 6.478 19.153 ( -3.719 4.855 -15.383) 16.555 20.757 ( -5.061 9.412 -5.571) 12.052 21.578 ( 0.344 -14.955 3.110) 15.279 ======================= Grid point 184 (98/226) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( -3.898 -2.385 -18.845) 19.391 3.706 ( 5.824 -1.643 5.827) 8.400 3.795 ( 6.147 -7.247 13.983) 16.907 4.318 ( 7.793 14.326 -7.912) 18.127 5.015 ( -3.551 -11.327 -4.858) 12.827 5.858 ( -6.414 -1.557 4.757) 8.136 6.356 ( -13.773 6.081 2.374) 15.242 6.697 ( 6.237 -2.928 5.803) 9.009 6.797 ( -4.322 -14.712 -7.589) 17.109 7.226 ( -2.858 7.691 5.031) 9.625 8.121 ( 18.543 1.147 2.374) 18.730 8.705 ( 12.106 -0.463 5.735) 13.403 8.938 ( -3.112 8.882 4.171) 10.294 9.179 ( 0.372 -5.674 -4.335) 7.151 9.356 ( 4.660 9.499 -5.192) 11.786 10.296 ( 1.079 1.291 -1.703) 2.394 10.669 ( -3.991 -5.119 -2.987) 7.145 10.954 ( -0.293 -1.205 -0.376) 1.296 12.034 ( -0.379 14.920 -2.512) 15.134 12.378 ( -8.770 -5.353 -2.866) 10.667 12.915 ( 1.896 -1.848 -1.185) 2.901 13.412 ( 11.987 -10.345 2.103) 15.973 14.525 ( -17.638 8.038 -5.820) 20.238 14.802 ( -5.727 -15.696 8.843) 18.904 16.882 ( -4.526 6.824 17.366) 19.200 17.959 ( -5.073 4.706 -6.834) 9.725 18.228 ( 19.273 0.649 -14.302) 24.009 19.144 ( 1.674 6.677 -1.395) 7.024 20.769 ( -1.926 11.283 -3.324) 11.919 21.468 ( -0.277 -12.482 4.880) 13.405 ======================= Grid point 185 (99/226) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -5.800 1.165 -9.380) 11.090 3.743 ( -3.111 -10.598 -0.958) 11.087 3.819 ( 7.334 -7.010 1.160) 10.211 4.557 ( 13.966 4.823 -9.212) 17.412 4.871 ( -3.784 -3.623 4.898) 7.172 5.740 ( -19.321 10.981 9.713) 24.253 6.290 ( 3.485 -1.615 -0.377) 3.859 6.550 ( -4.800 -2.850 -6.805) 8.802 6.859 ( 6.662 -3.155 6.617) 9.905 7.282 ( 2.006 2.691 -0.585) 3.407 8.494 ( 18.862 2.777 6.378) 20.103 8.901 ( 3.397 2.882 8.061) 9.210 9.005 ( 5.815 -0.941 0.883) 5.957 9.229 ( 8.418 3.763 -5.182) 10.577 9.500 ( 4.921 7.133 -2.421) 8.998 10.165 ( -14.346 0.386 -4.217) 14.957 10.475 ( -0.041 -16.585 -7.727) 18.296 10.983 ( -0.829 3.012 2.811) 4.203 12.091 ( -10.652 -3.798 -4.362) 12.121 12.237 ( 4.118 12.718 2.591) 13.617 12.971 ( 4.951 0.537 -0.903) 5.061 13.503 ( 10.058 -11.793 1.556) 15.577 14.114 ( -25.118 -1.965 -0.949) 25.213 14.646 ( -7.958 -4.628 -1.329) 9.302 16.881 ( -9.561 1.175 12.567) 15.834 17.907 ( -1.869 4.558 -4.287) 6.530 18.458 ( 19.503 -4.968 -16.430) 25.981 19.293 ( 3.142 8.875 7.369) 11.956 20.885 ( 3.129 13.203 -1.581) 13.661 21.372 ( -2.223 -8.950 5.395) 10.685 ======================= Grid point 186 (100/226) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -8.289 2.984 -0.999) 8.867 3.609 ( 4.714 -8.956 -5.950) 11.740 3.766 ( -0.664 -16.873 -0.961) 16.913 4.758 ( 12.081 -0.569 -8.148) 14.583 4.855 ( -4.172 2.874 10.264) 11.447 5.546 ( -16.189 7.747 1.289) 17.993 6.349 ( 2.364 1.824 -0.807) 3.093 6.599 ( 8.081 12.074 1.084) 14.569 6.892 ( -1.376 -4.995 3.154) 6.066 7.354 ( 5.009 -0.080 -0.770) 5.068 8.803 ( 5.789 3.643 7.476) 10.133 9.028 ( 2.085 5.910 2.337) 6.689 9.103 ( 11.014 -10.891 -5.371) 16.394 9.348 ( -3.857 5.734 -2.392) 7.313 9.730 ( 16.785 10.352 4.960) 20.335 9.867 ( -14.560 0.971 -2.233) 14.762 10.223 ( -1.240 -22.700 -7.290) 23.874 10.957 ( -5.804 -0.895 1.233) 6.001 11.923 ( -1.439 -0.147 -0.933) 1.721 12.484 ( 6.779 11.378 1.778) 13.363 13.061 ( 3.994 0.408 0.594) 4.058 13.553 ( 7.127 -8.742 0.421) 11.287 13.708 ( -16.014 -3.204 0.217) 16.333 14.389 ( -15.120 -2.215 -4.838) 16.029 16.768 ( -9.483 0.550 2.987) 9.958 17.911 ( 0.417 -0.382 -0.262) 0.623 18.602 ( 13.746 -7.511 -7.065) 17.184 19.461 ( 1.086 7.206 5.194) 8.949 21.116 ( 8.996 11.761 -1.997) 14.941 21.281 ( -4.622 -1.973 5.127) 7.179 ======================= Grid point 187 (101/226) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -1.709 -1.784 -0.146) 2.474 3.482 ( -6.851 -23.547 1.978) 24.603 3.692 ( 12.479 -0.852 -1.026) 12.550 4.790 ( -3.813 -1.287 0.850) 4.113 4.919 ( 1.410 4.375 2.691) 5.327 5.390 ( -6.224 2.192 -5.423) 8.541 6.474 ( 5.666 10.364 0.177) 11.813 6.785 ( 0.127 -5.777 -3.178) 6.594 6.987 ( 9.479 19.841 8.205) 23.470 7.413 ( 1.870 -0.923 0.329) 2.111 8.866 ( -20.722 2.325 -8.472) 22.507 8.915 ( -2.859 3.509 0.705) 4.581 9.123 ( 1.775 -4.790 -1.759) 5.403 9.239 ( 1.351 -11.205 3.152) 11.718 9.690 ( -9.241 2.751 -2.437) 9.945 9.929 ( 2.684 -24.193 -4.452) 24.745 10.304 ( 17.217 16.262 15.389) 28.243 10.825 ( -1.209 -5.671 -3.440) 6.742 12.023 ( 7.804 4.970 1.118) 9.319 12.657 ( 1.598 6.318 -3.090) 7.213 13.108 ( 3.082 -2.954 5.009) 6.582 13.449 ( -1.921 -9.836 -0.724) 10.048 13.739 ( 9.127 10.405 2.698) 14.101 14.053 ( -16.720 -1.795 -5.779) 17.781 16.596 ( -10.276 -2.080 -2.462) 10.769 17.877 ( -0.112 -6.919 -1.189) 7.021 18.723 ( 7.806 -4.194 4.564) 9.968 19.519 ( -1.100 2.636 -0.780) 2.961 21.141 ( -4.372 -2.925 -0.793) 5.320 21.474 ( 10.119 16.128 0.353) 19.043 ======================= Grid point 188 (102/226) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 6.182 -26.874 -0.511) 27.580 3.200 ( -8.126 -5.773 6.349) 11.819 3.997 ( 18.553 7.146 1.385) 19.930 4.664 ( -12.171 0.250 4.076) 12.838 4.986 ( 4.668 -0.758 -2.789) 5.490 5.287 ( -2.907 -0.816 -6.433) 7.107 6.683 ( 2.832 4.407 1.689) 5.505 6.766 ( 6.609 3.092 -1.197) 7.394 7.362 ( 0.966 6.471 -1.231) 6.657 7.418 ( -0.273 17.269 5.223) 18.044 8.352 ( -24.641 -3.724 -4.948) 25.407 8.912 ( -8.146 8.152 3.032) 11.917 9.063 ( -8.305 3.647 2.165) 9.326 9.157 ( 6.014 -21.393 -0.989) 22.244 9.512 ( -1.710 -8.325 -4.341) 9.544 9.833 ( 7.358 -12.096 -3.539) 14.594 10.523 ( -4.696 -4.381 9.555) 11.513 10.981 ( 12.807 10.514 0.346) 16.574 12.209 ( 5.377 3.901 0.820) 6.694 12.644 ( -1.971 4.739 -8.973) 10.337 13.135 ( 0.520 -7.548 -3.684) 8.415 13.484 ( 13.417 -3.579 10.610) 17.476 13.728 ( -12.153 -5.187 -1.043) 13.255 14.142 ( 14.525 21.300 5.345) 26.330 16.326 ( -12.526 -9.169 -3.798) 15.981 17.762 ( -2.016 -9.209 -2.524) 9.760 18.809 ( -1.702 0.197 9.120) 9.279 19.502 ( 2.075 -1.260 -6.495) 6.934 21.030 ( -5.727 1.570 -3.269) 6.779 21.796 ( 10.486 12.023 -1.656) 16.039 ======================= Grid point 191 (103/226) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 14.731 9.054 4.939) 17.982 3.429 ( -5.138 -2.459 11.048) 12.429 3.795 ( -17.402 -5.648 -2.628) 18.483 4.538 ( 8.859 1.118 -9.256) 12.860 5.079 ( -3.331 -2.794 -0.295) 4.358 5.483 ( 16.435 4.717 9.791) 19.703 6.702 ( 3.384 -7.513 -7.862) 11.389 6.871 ( -3.586 -4.127 3.445) 6.462 7.396 ( 2.099 -3.038 -6.545) 7.515 7.652 ( -8.647 -4.907 -8.181) 12.876 8.229 ( -28.894 10.407 3.521) 30.912 8.516 ( 3.924 26.621 5.805) 27.528 9.083 ( 10.539 3.886 -1.640) 11.352 9.215 ( -2.329 1.113 6.817) 7.290 9.374 ( 15.153 -9.199 -6.858) 19.007 9.937 ( 3.311 -1.827 10.117) 10.801 10.391 ( 6.432 0.851 -6.571) 9.234 10.880 ( -19.455 -5.273 -4.310) 20.612 12.272 ( -1.425 -0.981 -3.188) 3.627 12.534 ( -5.863 3.530 -8.987) 11.296 12.836 ( 0.724 -0.121 -0.786) 1.076 13.328 ( 7.032 1.219 4.089) 8.225 14.267 ( -4.046 -9.058 1.091) 9.981 14.720 ( 10.013 -24.638 14.261) 30.178 16.249 ( 9.448 18.262 12.182) 23.899 17.562 ( -2.506 7.438 1.690) 8.029 18.566 ( -12.280 0.527 -7.659) 14.483 19.419 ( 2.134 3.039 -7.452) 8.326 20.980 ( -2.399 5.968 -5.726) 8.612 21.965 ( -1.552 -8.181 -4.754) 9.588 ======================= Grid point 192 (104/226) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 15.604 23.735 3.629) 28.636 3.349 ( -10.001 2.788 13.781) 17.255 3.579 ( -2.360 -7.210 2.204) 7.900 4.576 ( -0.930 1.432 -7.895) 8.078 5.014 ( 1.367 -5.393 -0.041) 5.564 5.897 ( 23.639 -2.418 8.077) 25.097 6.516 ( -9.517 -8.551 -3.179) 13.183 6.847 ( 4.160 -4.690 -6.610) 9.110 7.179 ( -7.461 -15.292 -9.321) 19.401 7.486 ( 1.655 -7.690 -5.340) 9.508 7.996 ( -27.770 28.944 11.840) 41.823 8.848 ( -2.296 18.654 2.718) 18.990 9.142 ( -8.352 12.314 0.578) 14.890 9.284 ( 7.883 -1.290 1.620) 8.150 9.550 ( 14.997 -2.111 -6.139) 16.342 10.036 ( 0.907 -5.562 4.750) 7.370 10.122 ( -14.953 -9.262 -8.594) 19.577 10.830 ( 9.568 6.203 5.270) 12.561 12.191 ( -0.114 -7.178 -3.623) 8.041 12.404 ( -7.411 5.341 -9.107) 12.899 12.883 ( 3.002 2.444 0.902) 3.975 13.578 ( 14.465 0.578 5.555) 15.506 13.897 ( -14.592 -14.049 -1.841) 20.339 14.938 ( 20.613 -16.885 16.334) 31.254 16.530 ( -1.783 12.062 5.999) 13.589 17.682 ( 2.182 12.877 6.231) 14.470 18.326 ( -11.648 3.680 -7.923) 14.560 19.416 ( -0.300 2.873 -10.495) 10.885 20.961 ( -2.718 6.630 -7.353) 10.267 21.783 ( -2.878 -14.099 -3.582) 14.829 ======================= Grid point 193 (105/226) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 13.754 24.967 3.313) 28.697 3.356 ( -3.705 4.277 11.318) 12.654 3.516 ( -0.172 -6.702 6.131) 9.085 4.461 ( -8.622 5.371 -7.056) 12.368 4.994 ( 4.580 -12.008 1.487) 12.938 6.185 ( -3.868 -8.864 -9.543) 13.587 6.358 ( 18.608 -6.646 6.436) 20.781 6.725 ( -0.731 -7.433 -16.928) 18.502 6.986 ( 0.718 -11.690 6.477) 13.384 7.429 ( 1.267 -5.291 1.386) 5.615 7.909 ( -25.343 28.515 11.367) 39.807 8.704 ( -15.377 0.551 -2.673) 15.618 9.216 ( -2.586 10.640 -1.017) 10.996 9.391 ( 2.420 4.223 -6.640) 8.233 9.521 ( -21.126 -8.868 -0.105) 22.912 9.805 ( 10.630 8.261 -2.056) 13.619 10.296 ( 13.994 -0.598 8.194) 16.228 11.066 ( 6.948 1.150 1.273) 7.157 12.142 ( 5.301 -4.522 -3.770) 7.922 12.288 ( -6.060 5.921 -6.731) 10.821 12.972 ( 4.017 0.869 1.565) 4.398 13.447 ( -13.925 -10.450 -1.479) 17.473 13.977 ( 18.567 1.235 4.429) 19.127 15.196 ( 15.265 -16.874 16.363) 28.027 16.562 ( -3.681 9.991 -6.256) 12.349 17.924 ( 3.622 10.818 11.634) 16.294 18.161 ( -10.037 8.847 -3.952) 13.951 19.319 ( -4.531 0.874 -13.797) 14.548 20.927 ( -3.835 7.631 -7.799) 11.566 21.578 ( -1.147 -16.186 -0.325) 16.230 ======================= Grid point 194 (106/226) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( -6.957 8.667 -7.700) 13.520 3.435 ( 9.154 -4.353 5.567) 11.564 3.577 ( 3.893 4.285 12.061) 13.379 4.381 ( -6.887 13.251 -3.337) 15.302 4.948 ( 4.682 -13.534 1.378) 14.388 5.931 ( -5.483 -5.123 -10.670) 13.044 6.576 ( 0.059 1.999 -5.752) 6.089 6.613 ( 12.085 -16.516 -0.405) 20.470 6.911 ( -1.008 -12.521 6.274) 14.041 7.491 ( 6.454 -0.440 8.438) 10.632 7.798 ( -21.447 19.697 6.377) 29.809 8.530 ( -4.066 4.424 -1.240) 6.135 9.134 ( -14.911 -3.885 1.882) 15.523 9.220 ( -0.069 -2.899 -0.752) 2.996 9.384 ( -3.611 7.150 -8.192) 11.457 10.068 ( 8.210 8.819 -0.425) 12.056 10.578 ( 11.132 2.199 6.565) 13.110 11.061 ( -3.037 -5.782 -2.553) 7.012 12.151 ( -3.299 7.448 -7.607) 11.145 12.329 ( 8.004 0.275 2.050) 8.267 13.030 ( 2.008 -5.839 0.309) 6.182 13.166 ( -7.670 -1.289 -0.678) 7.807 14.322 ( 16.733 1.918 0.581) 16.852 15.243 ( -2.884 -17.260 15.000) 23.049 16.642 ( 10.507 8.908 -12.820) 18.818 18.041 ( -1.383 1.876 -2.100) 3.138 18.154 ( -9.221 13.293 13.914) 21.338 19.153 ( -3.382 0.956 -13.426) 13.879 20.897 ( -4.175 9.480 -6.398) 12.175 21.438 ( 1.543 -14.664 3.997) 15.277 ======================= Grid point 195 (107/226) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( -8.665 4.644 -19.646) 21.968 3.542 ( 5.810 -10.187 12.180) 16.909 3.765 ( 5.989 -0.101 3.694) 7.037 4.396 ( -4.751 10.776 -4.861) 12.740 4.925 ( 1.917 -5.023 3.780) 6.572 5.818 ( 2.190 -1.158 -5.723) 6.236 6.500 ( 0.909 -6.260 -7.756) 10.008 6.677 ( 2.251 -0.636 8.854) 9.158 6.790 ( -6.228 -4.599 6.262) 9.957 7.529 ( -16.359 7.491 3.856) 18.401 7.827 ( 14.109 -0.831 5.237) 15.073 8.578 ( 3.877 -0.374 1.187) 4.072 8.976 ( -0.556 -1.394 0.291) 1.529 9.169 ( -1.543 -2.219 0.479) 2.745 9.382 ( -0.328 8.605 -4.417) 9.678 10.221 ( 4.279 1.091 -1.859) 4.791 10.712 ( -3.383 -1.851 -3.331) 5.096 10.936 ( 0.048 -0.909 1.601) 1.842 12.163 ( -0.657 9.516 -2.606) 9.888 12.421 ( -0.831 -1.263 0.725) 1.676 12.921 ( -3.940 -0.222 -1.706) 4.299 13.182 ( 6.439 -4.215 2.197) 8.003 14.574 ( 10.333 3.601 -5.327) 12.170 14.959 ( -18.289 -14.105 8.303) 24.543 16.896 ( 16.124 1.932 -6.976) 17.674 18.011 ( -1.648 2.096 -5.984) 6.551 18.103 ( -11.279 3.028 6.438) 13.335 19.151 ( 4.259 6.722 -1.541) 8.106 20.905 ( -2.890 11.182 -3.931) 12.200 21.381 ( 2.055 -10.932 7.883) 13.633 ======================= Grid point 196 (108/226) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -0.892 7.546 -19.725) 21.138 3.549 ( 0.990 -13.308 3.558) 13.811 3.800 ( -0.848 -7.230 5.172) 8.930 4.380 ( 2.873 3.407 -10.751) 11.638 4.937 ( -2.649 -0.835 9.784) 10.171 5.904 ( 7.636 4.850 -2.453) 9.373 6.405 ( -5.267 0.031 -3.773) 6.479 6.693 ( -12.415 9.341 8.391) 17.658 6.799 ( 4.239 1.056 7.939) 9.062 7.338 ( -8.140 1.269 -0.617) 8.262 8.125 ( 22.228 -11.954 4.068) 25.564 8.645 ( 9.407 -6.825 0.838) 11.652 9.046 ( 8.687 -0.281 -2.133) 8.949 9.177 ( -2.177 6.853 5.192) 8.869 9.484 ( 4.368 7.018 -1.704) 8.440 10.208 ( 0.140 -7.990 -3.797) 8.847 10.446 ( -14.112 -4.746 -8.521) 17.154 11.029 ( 1.950 5.105 2.953) 6.211 12.233 ( -6.891 2.865 -3.634) 8.301 12.330 ( -1.226 4.902 5.261) 7.295 12.917 ( 1.296 3.215 -1.109) 3.640 13.272 ( 8.059 -6.083 2.631) 10.434 14.494 ( -23.831 -10.852 2.887) 26.344 14.665 ( 0.723 4.902 -11.140) 12.193 17.025 ( 1.693 -6.974 1.465) 7.325 17.945 ( -2.169 2.064 -4.294) 5.234 18.064 ( 6.456 -1.746 -5.686) 8.778 19.349 ( 5.527 8.869 7.136) 12.654 20.975 ( 0.050 11.403 -2.003) 11.578 21.376 ( 0.100 -5.227 10.403) 11.643 ======================= Grid point 197 (109/226) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 1.496 10.893 -10.019) 14.876 3.349 ( -2.742 -18.566 -4.384) 19.273 3.664 ( -5.773 -12.287 2.910) 13.884 4.455 ( 11.698 -2.066 -10.576) 15.904 4.987 ( 0.354 3.151 12.627) 13.019 5.975 ( -15.948 10.379 -4.115) 19.468 6.306 ( 1.540 0.778 2.629) 3.144 6.681 ( -3.779 11.893 1.203) 12.537 6.929 ( 1.588 5.294 8.786) 10.380 7.316 ( 1.936 3.495 0.646) 4.047 8.353 ( 25.296 -27.686 -0.468) 37.504 8.790 ( 11.679 -6.584 0.399) 13.413 9.221 ( -4.359 7.772 5.962) 10.721 9.315 ( 16.386 10.753 -0.781) 19.614 9.625 ( 6.371 4.875 1.352) 8.136 10.009 ( -5.363 -18.444 -6.629) 20.319 10.109 ( -14.967 0.429 -5.448) 15.933 11.070 ( -4.656 1.739 1.308) 5.139 12.043 ( -9.703 3.841 -0.847) 10.470 12.510 ( 5.155 7.215 6.994) 11.294 12.974 ( 3.485 -0.532 -0.576) 3.572 13.387 ( 8.377 -0.449 2.413) 8.730 13.996 ( -22.678 -8.189 -0.351) 24.114 14.557 ( -9.226 4.773 -14.845) 18.118 16.886 ( -5.943 -9.603 -0.235) 11.296 17.900 ( -2.249 -3.319 0.881) 4.105 18.223 ( 16.938 -1.931 -6.118) 18.112 19.547 ( 1.874 6.656 7.893) 10.494 21.098 ( 3.365 7.306 -0.930) 8.097 21.411 ( -2.191 4.538 9.946) 11.150 ======================= Grid point 198 (110/226) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -17.762 -1.390 2.391) 17.976 3.226 ( 15.936 -18.438 -3.289) 24.591 3.479 ( -1.053 -4.350 -4.013) 6.011 4.583 ( 11.359 -3.542 -7.029) 13.819 5.128 ( -1.154 6.240 15.189) 16.461 5.617 ( -22.143 3.440 -8.047) 23.809 6.450 ( 6.871 4.874 1.335) 8.529 6.735 ( -0.381 4.298 -5.098) 6.679 7.142 ( 3.648 18.058 10.809) 21.360 7.435 ( 2.225 8.588 4.273) 9.847 8.459 ( 25.937 -35.722 -4.505) 44.374 8.837 ( 3.013 -6.687 -8.233) 11.026 9.199 ( -7.668 5.327 3.622) 10.014 9.511 ( -11.183 9.037 1.444) 14.451 9.649 ( -2.274 -25.642 -3.096) 25.928 9.844 ( -6.691 0.287 -5.083) 8.407 10.122 ( 25.962 17.799 10.583) 33.209 10.892 ( -12.139 -6.160 0.078) 13.613 12.044 ( 0.131 10.811 1.234) 10.882 12.683 ( 2.954 3.663 6.580) 8.089 13.000 ( 3.823 -6.974 1.976) 8.195 13.504 ( -10.013 -2.449 -1.388) 10.401 13.700 ( 6.356 7.434 1.782) 9.941 14.288 ( -15.436 4.322 -15.897) 22.576 16.664 ( -6.676 -10.766 -4.339) 13.391 17.812 ( -1.897 -7.812 1.002) 8.101 18.485 ( 16.261 -1.628 1.101) 16.380 19.617 ( -3.991 3.031 5.328) 7.314 21.169 ( -0.159 -0.428 1.619) 1.682 21.550 ( 1.794 15.619 4.012) 16.226 ======================= Grid point 199 (111/226) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -15.369 -25.816 4.831) 30.430 3.289 ( 0.764 1.380 2.963) 3.356 3.637 ( 21.771 1.801 -6.110) 22.684 4.652 ( 3.434 -3.526 -0.821) 4.990 5.207 ( -11.452 8.059 12.197) 18.570 5.289 ( -6.278 -3.938 -7.995) 10.902 6.648 ( 9.372 6.462 -1.195) 11.446 6.709 ( -2.145 2.914 -4.437) 5.725 7.404 ( 1.035 9.327 2.559) 9.727 7.649 ( 2.753 20.145 9.533) 22.457 8.479 ( 16.842 -30.041 -9.901) 35.835 8.644 ( -4.437 -11.279 -9.295) 15.275 9.136 ( -6.868 2.915 3.827) 8.385 9.310 ( -4.979 -6.273 -0.502) 8.024 9.421 ( -10.207 -8.100 4.327) 13.730 9.736 ( -2.783 1.419 -3.397) 4.615 10.615 ( -9.791 -9.207 1.050) 13.481 10.820 ( 22.436 15.672 8.465) 28.646 12.204 ( 3.384 10.001 1.673) 10.690 12.729 ( -4.125 2.516 1.909) 5.195 13.015 ( 1.897 -7.450 1.151) 7.774 13.319 ( 3.634 -5.911 4.187) 8.104 13.946 ( -17.039 3.174 -14.529) 22.616 14.110 ( 16.510 20.088 4.605) 26.407 16.367 ( -9.572 -15.103 -6.130) 18.903 17.706 ( -1.841 -7.584 1.177) 7.892 18.733 ( 12.024 -2.134 3.839) 12.802 19.553 ( -7.722 1.490 1.988) 8.111 21.127 ( -4.432 -0.000 1.031) 4.550 21.783 ( 5.126 14.536 -0.754) 15.431 ======================= Grid point 202 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 3.305 25.274 8.272) 26.797 3.337 ( 6.363 -14.795 5.455) 17.004 4.076 ( -21.099 -5.115 -4.883) 22.253 4.386 ( 12.324 7.608 -10.956) 18.160 5.111 ( -1.903 -2.296 7.465) 8.039 5.481 ( -1.186 7.135 11.585) 13.658 6.527 ( 3.233 -0.817 -9.709) 10.265 6.916 ( -4.001 -4.960 1.143) 6.474 7.312 ( -1.802 -0.332 -5.952) 6.228 7.622 ( -8.221 -16.580 -9.537) 20.819 8.468 ( 32.036 -4.924 0.185) 32.413 8.711 ( -1.384 23.480 -3.874) 23.838 8.975 ( 0.526 0.896 -1.621) 1.926 9.044 ( 1.171 4.316 7.412) 8.656 9.390 ( -4.280 6.550 3.260) 8.476 9.952 ( -2.246 -3.948 9.434) 10.470 10.245 ( 5.045 -0.560 -7.120) 8.744 11.111 ( -13.590 -3.865 -2.161) 14.293 12.257 ( -4.090 -5.276 -2.577) 7.155 12.658 ( -6.272 7.735 -4.799) 11.054 12.907 ( -5.970 6.440 -2.604) 9.159 13.299 ( -0.442 1.406 0.485) 1.551 14.085 ( 19.438 -8.485 12.211) 24.473 14.511 ( -10.609 -25.519 -0.426) 27.639 16.283 ( 14.924 15.123 12.710) 24.758 17.679 ( -0.693 6.970 4.308) 8.223 18.607 ( -2.375 -5.885 -12.091) 13.655 19.493 ( -6.396 7.890 0.802) 10.188 21.036 ( -2.287 2.632 -2.263) 4.157 21.926 ( -5.082 -4.721 -5.560) 8.889 ======================= Grid point 203 (113/226) ======================= q-point: ( 0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 10.041 24.417 4.835) 26.840 3.361 ( 7.598 -10.940 6.678) 14.900 3.740 ( -12.510 0.582 1.495) 12.613 4.554 ( 5.961 5.958 -8.856) 12.225 5.039 ( -6.790 -1.510 5.116) 8.635 5.646 ( 8.619 -1.926 8.941) 12.567 6.532 ( 0.668 0.606 -6.276) 6.340 6.740 ( -5.466 -9.832 -5.420) 12.487 7.106 ( -8.596 -11.567 -8.281) 16.621 7.384 ( -0.202 -3.912 -3.775) 5.440 8.706 ( -15.156 20.815 3.320) 25.961 9.064 ( 7.947 14.134 -0.287) 16.217 9.128 ( 22.211 -3.952 3.423) 22.818 9.135 ( 4.055 2.926 0.362) 5.014 9.416 ( -5.295 14.906 1.074) 15.855 9.912 ( 2.827 -8.599 5.737) 10.717 10.191 ( -5.095 -8.695 -11.209) 15.073 10.884 ( -6.838 2.682 5.609) 9.242 12.098 ( -2.886 -9.440 -3.861) 10.600 12.563 ( -9.421 8.012 -7.108) 14.265 12.912 ( 0.570 6.131 0.405) 6.170 13.419 ( 8.307 2.304 4.792) 9.863 13.995 ( -14.536 -15.978 -0.726) 21.613 14.460 ( 22.793 -17.604 9.921) 30.461 16.642 ( 4.852 5.630 9.209) 11.834 17.812 ( 1.775 10.808 7.243) 13.131 18.438 ( -4.278 2.021 -12.914) 13.753 19.469 ( -5.239 6.035 -1.670) 8.165 21.017 ( -1.987 4.885 -4.522) 6.947 21.709 ( -6.518 -11.455 -4.314) 13.868 ======================= Grid point 204 (114/226) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 15.185 6.360 0.355) 16.467 3.474 ( 5.481 1.508 7.623) 9.510 3.662 ( -7.712 9.043 7.381) 13.990 4.596 ( -2.482 6.511 -5.637) 8.963 4.934 ( -5.115 -3.353 2.629) 6.658 5.821 ( 15.369 -13.723 1.782) 20.681 6.351 ( -11.305 -3.663 -4.812) 12.821 6.591 ( 0.995 -1.740 -11.948) 12.115 6.919 ( -0.795 -8.058 4.929) 9.479 7.370 ( 1.719 -0.150 -0.362) 1.763 8.604 ( -21.001 16.410 5.037) 27.124 8.955 ( -15.413 -0.586 -4.869) 16.175 9.183 ( 4.702 -6.542 -0.181) 8.059 9.433 ( 2.047 8.292 -3.372) 9.182 9.730 ( 11.738 24.445 -1.065) 27.138 9.805 ( -16.988 -8.078 -1.662) 18.885 10.057 ( 14.746 -5.069 8.915) 17.962 10.967 ( 5.633 0.879 3.038) 6.460 11.977 ( 2.961 -7.112 -2.097) 7.984 12.432 ( -8.586 5.925 -6.789) 12.446 12.993 ( -0.102 5.523 1.190) 5.650 13.562 ( -7.847 -6.954 2.181) 10.710 13.725 ( 10.407 -2.696 2.727) 11.091 14.741 ( 23.333 -16.847 6.110) 29.421 16.677 ( -5.222 0.344 -0.823) 5.298 17.990 ( 3.112 2.989 7.162) 8.362 18.409 ( -2.766 16.880 -3.094) 17.382 19.377 ( -8.213 1.596 -5.205) 9.854 21.010 ( -2.351 7.615 -5.714) 9.807 21.457 ( -4.242 -15.118 -1.191) 15.747 ======================= Grid point 205 (115/226) ======================= q-point: ( 0.45 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 16.998 -5.917 -1.161) 18.036 3.558 ( -10.272 9.133 -4.954) 14.610 3.673 ( -3.826 5.947 12.356) 14.237 4.600 ( -4.478 11.560 0.001) 12.397 4.843 ( -0.897 -4.628 2.841) 5.504 5.823 ( 5.581 -14.833 -12.358) 20.097 6.254 ( 5.713 -4.085 0.835) 7.073 6.570 ( 0.543 4.638 -2.661) 5.375 6.874 ( -0.492 -8.076 6.993) 10.694 7.434 ( 3.695 -0.842 5.785) 6.916 8.352 ( -21.371 6.395 -0.561) 22.314 8.703 ( -11.452 4.552 -2.226) 12.523 9.145 ( 0.812 -8.943 0.549) 8.996 9.378 ( -14.771 -4.079 0.629) 15.337 9.509 ( -6.933 6.213 -3.249) 9.860 10.072 ( 4.525 16.713 -2.881) 17.552 10.394 ( 16.759 1.014 7.909) 18.560 11.014 ( 1.174 -4.826 -0.842) 5.038 12.078 ( 10.417 1.687 0.497) 10.564 12.322 ( -4.174 2.590 -3.102) 5.809 13.005 ( -2.343 -0.253 0.709) 2.461 13.332 ( -10.811 0.865 0.024) 10.846 14.029 ( 18.674 0.118 1.537) 18.737 14.979 ( 18.898 -18.202 5.482) 26.805 16.545 ( -3.800 0.725 -11.352) 11.993 18.046 ( 0.753 -0.496 -0.004) 0.901 18.593 ( -6.079 20.842 14.090) 25.882 19.158 ( -8.602 -3.185 -9.763) 13.396 21.019 ( -3.284 10.278 -4.793) 11.806 21.285 ( 1.445 -14.547 3.590) 15.053 ======================= Grid point 206 (116/226) ======================= q-point: (-0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -7.975 3.616 -15.566) 17.859 3.449 ( 2.996 0.079 6.100) 6.796 3.698 ( -1.379 -3.210 2.239) 4.150 4.546 ( -8.404 0.160 -3.007) 8.927 4.960 ( 3.604 11.177 11.385) 16.356 5.700 ( 3.708 -6.676 -12.543) 14.685 6.343 ( 6.664 -1.703 -2.225) 7.229 6.640 ( 3.961 -0.143 2.856) 4.885 6.871 ( -0.555 0.984 10.973) 11.031 7.509 ( 5.813 -11.139 7.841) 14.810 8.057 ( -18.760 4.288 0.138) 19.244 8.588 ( -4.949 0.422 -1.844) 5.298 9.022 ( -6.374 -7.073 -2.464) 9.835 9.164 ( -2.756 1.097 2.200) 3.693 9.467 ( -3.591 4.786 -1.828) 6.256 10.203 ( -0.225 6.785 -4.044) 7.902 10.649 ( 7.073 -1.342 -0.733) 7.237 10.967 ( -1.126 0.202 2.848) 3.069 12.204 ( 0.934 3.598 -0.622) 3.769 12.388 ( 6.720 1.570 3.000) 7.525 12.945 ( -1.631 -1.793 -0.078) 2.425 13.213 ( -7.441 5.212 0.427) 9.095 14.334 ( 15.869 1.774 -5.008) 16.734 15.029 ( 1.486 -16.947 6.608) 18.250 16.505 ( 11.314 -1.511 -18.366) 21.624 18.029 ( -1.462 0.589 -3.719) 4.039 18.550 ( -23.721 3.835 12.660) 27.160 19.119 ( 6.943 8.261 -0.536) 10.805 21.034 ( -2.916 7.564 -1.947) 8.337 21.272 ( 4.938 -7.134 8.017) 11.813 ======================= Grid point 207 (117/226) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -10.102 6.076 -24.688) 27.359 3.535 ( -4.727 -5.587 9.354) 11.877 3.697 ( 8.212 -4.782 2.790) 9.904 4.365 ( -4.922 -2.628 -7.380) 9.252 5.117 ( -7.606 5.779 12.661) 15.860 5.764 ( 12.155 9.095 -7.730) 17.036 6.405 ( 1.430 3.438 -3.435) 5.066 6.756 ( 7.581 -2.361 6.360) 10.173 6.997 ( -1.857 13.080 11.459) 17.488 7.476 ( 4.994 -21.152 2.114) 21.836 7.775 ( -13.824 -5.884 2.808) 15.284 8.506 ( 1.013 -3.639 -3.020) 4.836 8.930 ( 2.776 -0.649 -0.259) 2.863 9.231 ( 3.835 3.399 1.303) 5.287 9.477 ( 0.925 3.152 0.773) 3.374 10.160 ( -4.306 -1.550 -4.578) 6.473 10.562 ( -7.630 -3.770 -7.269) 11.192 11.065 ( 2.809 5.715 5.279) 8.272 12.286 ( 3.771 3.113 3.593) 6.068 12.430 ( -4.432 0.099 1.455) 4.666 12.967 ( 1.103 5.266 0.120) 5.381 13.172 ( -1.177 0.747 2.355) 2.737 14.507 ( 6.631 0.118 -11.887) 13.612 14.802 ( -13.412 -7.583 2.641) 15.632 16.633 ( 19.850 -10.559 -17.040) 28.211 17.966 ( -2.365 0.892 -5.708) 6.243 18.232 ( -18.723 -1.221 9.213) 20.903 19.382 ( 6.900 11.101 7.989) 15.319 21.057 ( -0.246 3.765 0.656) 3.830 21.381 ( 3.791 1.064 11.109) 11.786 ======================= Grid point 208 (118/226) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 5.123 -3.990 -21.245) 22.215 3.392 ( -10.124 -4.237 4.275) 11.779 3.688 ( -3.584 -13.576 4.563) 14.764 4.301 ( 0.437 6.580 -6.621) 9.345 5.106 ( -2.869 6.049 10.027) 12.056 6.091 ( 9.361 15.617 -1.985) 18.316 6.393 ( -5.659 3.566 -5.437) 8.620 6.869 ( -1.042 1.336 3.513) 3.900 7.161 ( -7.454 17.653 13.068) 23.194 7.348 ( -0.420 -1.550 3.301) 3.671 7.569 ( 16.470 -36.761 -5.065) 40.599 8.553 ( 9.202 -5.431 0.581) 10.701 9.104 ( 14.990 5.053 -0.338) 15.823 9.322 ( 2.193 2.458 1.810) 3.758 9.543 ( 3.188 -2.830 1.526) 4.528 9.997 ( -7.491 -3.118 -2.649) 8.536 10.313 ( -12.139 -1.049 -6.571) 13.843 11.154 ( -1.532 2.368 2.246) 3.605 12.270 ( -10.456 5.592 -0.025) 11.857 12.488 ( 7.945 -0.961 9.911) 12.738 12.998 ( -4.304 5.540 -0.454) 7.030 13.267 ( 8.706 2.417 3.662) 9.749 14.277 ( -18.789 -7.939 -4.335) 20.853 14.629 ( -4.727 6.366 -15.205) 17.148 16.674 ( 10.470 -17.651 -11.772) 23.659 17.979 ( 5.253 1.835 -0.031) 5.564 18.010 ( -9.304 -3.168 4.024) 10.621 19.628 ( 3.310 8.885 8.833) 12.958 21.106 ( 1.823 1.479 1.648) 2.868 21.543 ( 1.659 7.519 11.694) 14.001 ======================= Grid point 209 (119/226) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 20.116 -17.385 -9.398) 28.199 3.058 ( -19.064 -19.378 6.373) 27.921 3.543 ( -5.414 5.977 -1.592) 8.221 4.406 ( 4.842 11.965 -5.865) 14.178 5.265 ( 1.693 6.995 14.568) 16.248 6.038 ( -25.181 5.632 -11.796) 28.372 6.384 ( 5.675 3.754 2.934) 7.410 6.811 ( -4.797 5.737 -2.932) 8.033 7.355 ( 0.403 18.857 10.917) 21.792 7.510 ( 12.552 -5.364 -6.036) 14.925 7.516 ( 21.641 -29.190 3.161) 36.475 8.643 ( 7.393 -6.677 -3.316) 10.499 9.296 ( -0.180 -1.647 0.215) 1.670 9.403 ( 3.163 -23.003 -2.459) 23.350 9.605 ( 10.929 10.420 2.612) 15.325 9.914 ( -4.257 7.445 0.116) 8.577 10.124 ( -2.801 6.572 2.413) 7.541 11.039 ( -10.651 -5.720 -0.029) 12.089 12.209 ( -5.064 9.412 2.025) 10.878 12.677 ( 7.088 -1.917 12.867) 14.814 12.955 ( -3.732 0.754 0.860) 3.904 13.545 ( 11.782 10.992 3.131) 16.414 13.823 ( -20.208 -4.694 -4.924) 21.322 14.455 ( -10.417 6.648 -20.650) 24.066 16.530 ( 1.589 -17.970 -8.301) 19.858 17.835 ( -7.367 -6.698 5.697) 11.472 18.201 ( 15.582 0.667 0.637) 15.609 19.758 ( -2.616 5.726 7.411) 9.724 21.157 ( 2.061 -1.139 2.269) 3.270 21.723 ( 0.143 13.246 7.804) 15.374 ======================= Grid point 210 (120/226) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -18.741 -28.348 9.166) 35.198 2.948 ( 26.187 -11.930 -3.023) 28.935 3.576 ( -3.138 16.096 -2.179) 16.543 4.598 ( 4.762 11.124 -0.109) 12.101 5.357 ( -7.770 -0.934 5.538) 9.587 5.593 ( -19.585 5.701 -0.258) 20.399 6.535 ( 7.897 2.694 -1.132) 8.421 6.790 ( -3.523 7.614 -6.084) 10.364 7.490 ( 17.428 -26.951 -4.978) 32.479 7.613 ( 11.821 -1.067 -1.646) 11.982 7.800 ( 6.776 15.587 8.125) 18.838 8.601 ( -1.000 -7.204 -7.926) 10.758 9.096 ( -1.722 -20.820 -4.332) 21.335 9.265 ( -2.783 -7.058 6.103) 9.737 9.723 ( -7.920 8.109 2.957) 11.715 9.795 ( -6.541 1.152 -4.746) 8.163 10.590 ( 18.358 13.517 4.693) 23.276 10.760 ( -6.536 -6.200 5.731) 10.678 12.278 ( 0.897 7.003 1.909) 7.313 12.841 ( -0.804 3.472 12.674) 13.166 12.932 ( 3.523 -2.981 5.521) 7.196 13.369 ( -16.345 -3.664 -6.712) 18.045 14.011 ( 16.055 15.005 3.487) 22.250 14.177 ( -12.790 8.987 -20.537) 25.809 16.280 ( -4.380 -18.309 -7.261) 20.178 17.699 ( -3.910 -7.140 5.322) 9.726 18.481 ( 15.460 -2.352 2.330) 15.811 19.751 ( -8.088 4.291 5.619) 10.742 21.168 ( -0.380 -2.847 2.755) 3.980 21.895 ( -0.147 14.913 1.238) 14.965 ======================= Grid point 213 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 8.217 24.871 1.154) 26.219 3.200 ( -5.607 -7.339 10.885) 14.275 3.975 ( 23.617 -12.819 -12.452) 29.616 4.368 ( -22.922 -3.259 -7.188) 24.243 5.273 ( -6.157 13.985 3.000) 15.572 5.728 ( -11.001 0.512 17.212) 20.433 6.459 ( 0.615 3.068 -9.420) 9.926 6.902 ( 3.319 -6.690 0.531) 7.487 7.269 ( 11.713 -5.273 2.283) 13.046 7.566 ( -4.007 -6.039 -4.373) 8.464 7.798 ( 15.100 -5.884 -13.202) 20.903 8.681 ( 11.312 1.095 -6.647) 13.166 8.933 ( 8.652 12.493 9.835) 18.102 9.193 ( 1.032 2.807 3.070) 4.286 9.622 ( -9.196 8.503 2.126) 12.704 10.007 ( 0.294 -1.685 0.897) 1.931 10.161 ( -3.745 -1.840 -3.414) 5.391 11.209 ( -3.871 -5.731 -0.549) 6.938 12.302 ( -6.608 -3.664 -0.324) 7.563 12.810 ( -3.715 8.533 -3.484) 9.938 13.105 ( -10.920 6.925 -8.476) 15.462 13.371 ( -4.830 4.985 -2.764) 7.471 13.750 ( 13.914 -9.487 17.379) 24.201 14.470 ( -11.075 -21.508 -2.319) 24.302 16.193 ( 17.916 9.810 10.856) 23.132 17.781 ( 1.069 8.068 5.794) 9.990 18.436 ( 3.782 -8.866 -11.708) 15.165 19.739 ( -10.297 7.472 2.232) 12.916 21.086 ( -1.491 0.602 2.000) 2.566 21.973 ( -7.846 -0.883 -7.540) 10.917 ======================= Grid point 214 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -0.925 28.919 2.316) 29.026 3.127 ( 7.624 -10.526 5.846) 14.252 3.855 ( -6.368 -15.126 -5.796) 17.405 4.319 ( 15.013 3.484 -5.937) 16.516 5.275 ( -10.411 10.349 1.420) 14.749 5.636 ( -4.660 -8.517 12.056) 15.479 6.480 ( 2.618 5.202 -7.372) 9.395 6.718 ( -6.721 -12.799 -1.024) 14.492 7.209 ( -16.015 -1.365 -7.006) 17.533 7.389 ( -1.852 3.913 -0.348) 4.343 8.374 ( 44.994 -0.793 -2.335) 45.061 8.815 ( 9.482 -5.955 -1.600) 11.311 9.256 ( 1.913 1.189 7.907) 8.222 9.267 ( -3.476 23.056 3.600) 23.593 9.615 ( -1.389 12.161 1.015) 12.282 9.906 ( -5.159 -6.068 -0.333) 7.972 10.066 ( -1.516 -4.469 -8.303) 9.550 11.056 ( -7.201 -3.901 2.265) 8.498 12.104 ( -9.136 -4.140 -3.841) 10.741 12.792 ( -10.038 9.812 -6.234) 15.359 12.955 ( -0.751 2.223 -1.150) 2.613 13.421 ( -0.207 8.272 1.806) 8.470 13.954 ( 11.857 -22.371 5.058) 25.820 14.087 ( -5.848 -11.102 5.737) 13.798 16.581 ( 12.011 -0.078 9.975) 15.613 17.912 ( 0.969 5.606 5.015) 7.584 18.373 ( 3.901 3.171 -13.431) 14.341 19.655 ( -8.378 5.085 1.386) 9.898 21.086 ( -2.168 4.469 0.016) 4.967 21.734 ( -10.371 -6.645 -5.644) 13.549 ======================= Grid point 215 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -3.077 0.517 1.398) 3.419 3.403 ( 13.993 10.913 1.594) 17.817 3.730 ( 6.452 -5.978 0.867) 8.839 4.571 ( 9.090 6.140 -0.689) 10.991 5.115 ( -14.460 1.059 0.806) 14.521 5.555 ( 2.096 -12.933 1.739) 13.217 6.459 ( -7.391 -4.395 -6.213) 10.609 6.544 ( 0.230 3.680 0.090) 3.688 6.974 ( -9.149 2.079 0.562) 9.399 7.381 ( -1.931 4.276 -1.739) 5.004 8.854 ( 2.378 -8.813 3.317) 9.712 9.038 ( 23.608 3.513 -2.199) 23.969 9.140 ( -14.202 -0.024 -4.148) 14.795 9.357 ( -0.750 4.939 2.623) 5.643 9.783 ( 4.752 -6.804 2.776) 8.751 9.904 ( -2.894 -6.351 -0.957) 7.045 9.951 ( 4.078 27.581 -0.821) 27.893 10.951 ( -2.119 -3.703 2.173) 4.788 11.922 ( -4.258 -1.467 -2.239) 5.029 12.628 ( -11.606 4.951 -5.127) 13.620 13.046 ( 2.653 5.057 2.055) 6.069 13.525 ( 5.177 2.876 2.071) 6.274 13.706 ( -8.608 -9.683 0.459) 12.964 14.225 ( 18.705 -14.320 3.388) 23.800 16.701 ( 1.017 -6.040 3.764) 7.190 17.967 ( 2.708 -2.985 1.431) 4.277 18.518 ( 6.196 17.165 -4.409) 18.774 19.542 ( -9.534 0.624 0.297) 9.559 21.104 ( -2.008 7.583 -1.592) 8.005 21.441 ( -10.415 -9.472 -2.370) 14.276 ======================= Grid point 216 (124/226) ======================= q-point: (-0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 10.651 -2.936 -1.270) 11.121 3.638 ( 3.058 4.200 -0.787) 5.255 3.887 ( 3.147 5.728 3.505) 7.416 4.707 ( 2.340 4.202 2.764) 5.547 4.903 ( -8.238 -0.019 -2.063) 8.493 5.452 ( 4.492 -16.550 -4.110) 17.635 6.311 ( -6.348 5.039 -2.295) 8.424 6.636 ( 2.031 9.089 4.873) 10.511 6.870 ( -5.173 -1.924 0.652) 5.558 7.410 ( 1.660 0.458 2.538) 3.067 8.666 ( -16.316 -7.539 -1.167) 18.011 8.861 ( -6.191 -4.651 -2.344) 8.090 9.116 ( -6.340 -1.201 -2.074) 6.778 9.507 ( 1.438 1.655 1.254) 2.526 9.617 ( -5.637 -7.128 -1.815) 9.267 10.077 ( 15.281 -0.603 8.883) 17.685 10.282 ( 2.398 24.513 -4.705) 25.075 10.919 ( 3.201 -5.784 0.035) 6.611 11.963 ( 6.650 6.023 2.340) 9.272 12.442 ( -9.896 -0.378 -1.112) 9.966 13.082 ( -4.116 1.921 0.848) 4.621 13.541 ( -9.110 5.530 -0.095) 10.657 13.722 ( 15.828 -1.235 1.245) 15.925 14.428 ( 22.240 -15.533 -3.488) 27.351 16.584 ( -6.420 -5.723 -3.469) 9.274 17.995 ( 3.494 -3.221 0.423) 4.772 18.811 ( 7.624 17.055 1.872) 18.776 19.318 ( -15.063 -3.906 0.832) 15.584 21.147 ( 0.981 -0.633 0.838) 1.437 21.205 ( -8.125 1.520 0.207) 8.268 ======================= Grid point 217 (125/226) ======================= q-point: (-0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 16.035 3.342 -3.075) 16.666 3.577 ( -9.514 2.046 -9.227) 13.410 3.832 ( -12.119 0.360 3.597) 12.646 4.687 ( -12.770 -3.393 -3.201) 13.595 4.999 ( 18.500 9.557 6.358) 21.772 5.384 ( 7.417 -11.766 -3.817) 14.423 6.304 ( -0.886 6.185 0.663) 6.283 6.688 ( -7.261 3.615 -1.792) 8.307 6.930 ( 7.325 7.754 11.742) 15.864 7.397 ( -1.849 -13.650 6.187) 15.101 8.332 ( -13.400 -1.609 -2.863) 13.797 8.681 ( -7.990 -4.062 -4.888) 10.210 8.965 ( -2.505 -9.534 0.439) 9.867 9.354 ( -11.365 -0.352 1.371) 11.453 9.563 ( -3.246 1.604 0.374) 3.640 10.304 ( -0.998 9.855 -1.271) 9.987 10.468 ( 9.342 1.235 -4.004) 10.238 10.962 ( 4.348 -0.309 2.759) 5.159 12.234 ( 7.771 10.133 5.330) 13.838 12.298 ( -1.478 -4.942 2.992) 5.964 12.999 ( -5.387 0.242 0.098) 5.393 13.456 ( -10.613 10.317 -0.350) 14.805 14.021 ( 18.308 1.766 -5.167) 19.105 14.632 ( 21.835 -16.450 -4.259) 27.668 16.371 ( -6.464 -4.166 -9.941) 12.568 18.014 ( 1.302 -1.500 -1.454) 2.462 18.936 ( -12.669 -9.463 -5.076) 16.608 19.158 ( 0.946 16.965 13.707) 21.831 21.060 ( 0.212 -11.058 6.623) 12.892 21.282 ( -0.595 14.646 1.600) 14.745 ======================= Grid point 218 (126/226) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( -16.910 7.555 -22.604) 29.223 3.486 ( 10.044 -2.315 -1.496) 10.416 3.666 ( -6.941 -2.834 6.050) 9.634 4.399 ( -8.992 -7.488 0.097) 11.702 5.387 ( -3.386 4.290 3.736) 6.620 5.528 ( 23.139 14.357 -0.306) 27.233 6.386 ( 3.316 2.851 1.265) 4.552 6.638 ( 1.403 -0.820 1.982) 2.563 7.114 ( -1.868 -31.966 3.768) 32.242 7.229 ( 1.205 15.625 10.046) 18.615 8.112 ( -15.094 1.881 2.080) 15.352 8.475 ( -5.239 -4.314 -7.150) 9.858 8.874 ( 1.616 -6.977 -0.051) 7.162 9.232 ( -3.478 2.538 -0.611) 4.349 9.531 ( -2.669 0.909 3.858) 4.778 10.265 ( -8.034 6.087 -5.625) 11.543 10.525 ( 1.572 -5.048 -5.142) 7.375 11.086 ( 4.932 3.016 4.660) 7.425 12.249 ( 2.302 -6.286 9.247) 11.416 12.494 ( 2.322 8.252 2.118) 8.830 12.962 ( 1.149 2.429 1.212) 2.948 13.365 ( -11.121 8.990 0.591) 14.312 14.276 ( 12.985 5.753 -15.509) 21.030 14.758 ( 10.250 -14.480 1.159) 17.779 16.205 ( 3.455 -6.492 -15.425) 17.088 17.977 ( -2.179 -0.472 -4.719) 5.219 18.565 ( -16.802 -7.992 3.493) 18.931 19.457 ( 5.046 13.905 11.421) 18.689 21.036 ( 2.673 -8.538 8.067) 12.047 21.453 ( 1.364 12.997 6.518) 14.604 ======================= Grid point 219 (127/226) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -15.483 -6.528 -25.675) 30.685 3.463 ( -2.127 -24.272 0.307) 24.367 3.639 ( -2.715 8.924 0.932) 9.375 4.392 ( 2.930 9.760 9.150) 13.696 5.364 ( -9.970 12.657 3.422) 16.472 6.035 ( 18.256 15.257 -2.629) 23.937 6.455 ( 1.783 1.773 -1.641) 3.003 6.594 ( 5.362 -28.873 -6.703) 30.122 6.958 ( 12.144 -10.288 10.150) 18.877 7.455 ( -2.547 18.689 6.683) 20.011 7.793 ( -25.121 2.840 3.451) 25.515 8.380 ( 3.588 -6.162 -1.320) 7.252 8.900 ( 8.998 -3.587 -2.676) 10.050 9.246 ( 3.512 -0.538 -3.841) 5.232 9.539 ( -0.756 -1.381 7.737) 7.895 10.126 ( -8.766 3.176 -3.498) 9.959 10.394 ( -5.402 -4.723 -6.169) 9.463 11.194 ( 1.202 0.414 2.995) 3.253 12.346 ( 9.194 -8.831 10.551) 16.548 12.512 ( -8.616 8.828 2.913) 12.675 13.107 ( 6.103 7.968 1.029) 10.089 13.275 ( -7.719 5.798 3.586) 10.298 14.348 ( -0.129 5.336 -19.957) 20.658 14.698 ( -4.653 -5.306 -0.179) 7.060 16.174 ( 14.020 -13.752 -14.889) 24.644 17.911 ( 0.077 0.400 -5.432) 5.447 18.259 ( -14.886 -6.125 7.307) 17.678 19.727 ( 3.508 11.232 10.282) 15.627 21.064 ( 3.453 -6.529 6.950) 10.141 21.660 ( 2.535 11.305 10.357) 15.540 ======================= Grid point 220 (128/226) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 6.075 -19.941 -15.038) 25.704 3.033 ( -9.523 -38.969 3.988) 40.313 3.736 ( -2.922 19.520 -2.103) 19.849 4.599 ( -4.071 19.793 5.372) 20.909 5.426 ( -0.994 12.069 9.334) 15.290 6.313 ( -2.189 -14.733 -14.203) 20.582 6.403 ( 4.353 8.518 1.153) 9.635 6.455 ( 15.998 -21.272 -8.044) 27.805 7.066 ( -10.362 1.550 3.447) 11.030 7.539 ( 2.748 9.611 4.633) 11.017 7.667 ( -5.198 17.206 9.173) 20.179 8.423 ( 8.057 -7.191 -0.512) 10.811 9.039 ( 13.376 -12.354 -4.528) 18.763 9.241 ( 1.339 -2.797 -5.459) 6.278 9.581 ( 2.912 0.417 9.354) 9.806 10.040 ( -3.596 4.459 -2.199) 6.136 10.237 ( -4.347 -0.098 -0.496) 4.377 11.131 ( -6.733 -6.520 0.198) 9.375 12.372 ( -3.496 -1.328 -0.036) 3.740 12.596 ( 5.786 1.100 16.046) 17.093 13.150 ( -9.351 9.026 3.561) 13.475 13.446 ( 13.100 10.249 3.638) 17.026 14.113 ( -18.283 0.946 -10.740) 21.225 14.542 ( -7.204 4.029 -15.472) 17.536 16.172 ( 11.248 -17.513 -9.785) 23.000 17.949 ( 0.551 -1.397 -2.402) 2.833 18.025 ( -3.675 -5.155 7.766) 10.020 19.909 ( -0.840 8.644 8.367) 12.060 21.098 ( 3.345 -5.527 4.445) 7.842 21.882 ( 2.180 11.578 10.050) 15.486 ======================= Grid point 221 (129/226) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 25.308 -22.740 4.842) 34.366 2.504 ( -5.925 -35.440 0.795) 35.941 3.858 ( -6.563 20.550 -0.719) 21.585 4.755 ( -2.138 22.293 -0.138) 22.395 5.573 ( -4.944 6.375 10.398) 13.161 5.984 ( -17.969 1.683 -9.490) 20.391 6.235 ( 11.593 -37.916 -2.420) 39.722 6.665 ( 10.392 1.333 -5.856) 12.002 6.971 ( -2.034 10.717 -4.738) 11.893 7.794 ( -0.545 13.556 5.348) 14.583 7.843 ( 6.832 11.589 6.773) 15.061 8.450 ( 4.268 -8.557 -4.716) 10.662 8.896 ( -1.939 -21.022 -3.528) 21.404 9.226 ( 1.537 -5.956 0.530) 6.174 9.748 ( 5.561 2.754 1.227) 6.326 9.962 ( -6.428 1.215 -3.829) 7.580 10.444 ( 17.456 12.602 9.503) 23.534 10.857 ( -11.958 -12.138 0.062) 17.039 12.305 ( -0.828 -2.445 -0.928) 2.743 12.827 ( 7.617 1.226 14.968) 16.839 13.122 ( -9.179 10.822 9.870) 17.286 13.664 ( -22.482 -0.399 -6.617) 23.438 13.887 ( 16.590 14.494 2.472) 22.168 14.330 ( -10.316 7.774 -22.119) 25.615 16.071 ( 2.712 -17.406 -6.622) 18.819 17.768 ( -8.120 -7.755 7.152) 13.312 18.207 ( 14.692 -2.105 1.598) 14.928 19.969 ( -6.162 6.897 6.577) 11.349 21.120 ( 2.842 -5.684 3.061) 7.053 22.064 ( -0.734 12.617 4.019) 13.262 ======================= Grid point 224 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 26.011 6.120 -1.499) 26.763 3.152 ( 35.287 -17.833 -6.315) 40.039 3.637 ( -23.298 2.351 5.834) 24.133 4.726 ( -24.605 -0.457 -7.973) 25.868 5.570 ( -8.840 11.104 -4.642) 14.933 5.998 ( -1.251 -7.695 18.725) 20.283 6.275 ( 33.874 8.398 8.386) 35.893 6.527 ( 0.998 -2.234 -8.099) 8.460 7.101 ( -11.398 -17.176 -1.411) 20.662 7.629 ( -2.556 12.697 -4.031) 13.565 7.827 ( -14.483 0.642 -8.640) 16.877 8.449 ( 10.675 -1.419 -3.545) 11.337 8.883 ( 15.701 5.962 11.081) 20.121 9.181 ( 3.874 2.038 2.134) 4.869 9.759 ( -0.669 1.714 -8.823) 9.013 9.957 ( 0.444 -2.255 4.616) 5.156 10.266 ( -5.249 4.769 -2.532) 7.530 11.133 ( 2.937 -10.348 0.132) 10.758 12.339 ( 1.195 -3.936 3.434) 5.358 12.870 ( -1.595 4.995 -11.623) 12.751 13.275 ( -11.438 4.360 -10.261) 15.973 13.520 ( -4.696 12.095 -4.578) 13.758 13.777 ( -9.057 -4.694 22.234) 24.462 14.421 ( -7.335 -18.111 -0.101) 19.540 16.008 ( 17.793 4.439 7.682) 19.883 17.869 ( 2.199 7.598 5.444) 9.602 18.192 ( 5.789 -9.407 -9.174) 14.359 19.988 ( -10.614 4.488 -0.584) 11.539 21.106 ( 2.079 -0.167 3.324) 3.924 22.074 ( -8.575 2.459 -9.164) 12.789 ======================= Grid point 225 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 27.121 16.347 -2.317) 31.751 3.205 ( -5.983 -19.613 -6.148) 21.407 3.479 ( 5.179 -6.631 2.261) 8.712 4.365 ( -12.015 9.297 -1.589) 15.274 5.497 ( -5.772 7.590 -8.635) 12.864 5.787 ( -15.865 -13.950 14.928) 25.868 6.460 ( 0.054 3.993 -5.723) 6.978 6.747 ( -7.601 -6.576 3.784) 10.740 7.292 ( 42.716 1.086 11.811) 44.332 7.497 ( -17.555 5.331 -5.168) 19.061 7.709 ( 7.095 8.550 -11.339) 15.875 8.601 ( 9.364 -2.943 1.034) 9.870 9.183 ( 9.412 -5.296 9.451) 14.351 9.395 ( 12.653 9.267 2.094) 15.823 9.700 ( -3.124 2.721 -7.638) 8.689 9.884 ( -6.889 -5.829 0.974) 9.077 10.213 ( -7.916 14.211 -5.480) 17.165 11.040 ( -0.072 -11.698 -0.052) 11.698 12.247 ( -8.801 0.304 -1.725) 8.973 12.916 ( 3.192 7.880 -8.839) 12.264 13.002 ( -9.073 -2.158 -8.618) 12.698 13.579 ( -5.239 6.633 2.273) 8.753 13.693 ( -0.418 -7.870 7.946) 11.192 14.152 ( -8.575 -11.758 10.546) 17.973 16.366 ( 16.251 -4.290 8.693) 18.923 17.918 ( 0.633 -5.421 -1.857) 5.765 18.261 ( 8.304 10.331 -6.659) 14.834 19.840 ( -9.052 1.179 -1.492) 9.250 21.157 ( 0.090 2.850 2.054) 3.514 21.860 ( -12.008 0.043 -6.116) 13.476 ======================= Grid point 226 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( -12.360 -10.933 -2.978) 16.768 3.203 ( 24.696 14.538 -0.943) 28.673 3.438 ( 5.669 -12.938 -0.700) 14.143 4.497 ( 8.028 12.092 1.824) 14.629 5.386 ( -12.966 3.748 -9.843) 16.705 5.450 ( -5.528 -18.455 8.476) 21.047 6.485 ( -0.472 4.183 -2.919) 5.122 6.624 ( -4.747 -0.126 6.708) 8.218 7.260 ( -15.033 9.526 -2.660) 17.995 7.521 ( -8.603 9.244 -3.449) 13.090 8.382 ( 48.096 0.885 3.181) 48.209 8.707 ( 6.294 -6.807 5.277) 10.668 9.260 ( -1.682 -3.797 -0.353) 4.168 9.518 ( -8.708 -5.046 0.191) 10.065 9.656 ( 9.583 -8.264 -5.544) 13.815 9.740 ( -1.870 -4.213 5.845) 7.444 10.278 ( -4.256 30.918 -5.881) 31.759 10.911 ( -0.841 -11.402 -1.561) 11.539 12.074 ( -10.979 5.321 -2.253) 12.407 12.809 ( -7.732 1.459 -7.455) 10.839 13.019 ( 4.584 2.030 1.241) 5.165 13.482 ( 1.861 -11.840 0.696) 12.005 13.750 ( -2.174 13.548 -3.463) 14.152 14.013 ( -3.530 -10.832 13.110) 17.369 16.560 ( 9.112 -10.456 6.272) 15.222 17.860 ( 3.138 -6.605 -3.315) 8.029 18.521 ( 8.878 15.228 -3.183) 17.913 19.679 ( -7.811 -2.829 -1.306) 8.409 21.180 ( -1.338 1.735 0.090) 2.193 21.611 ( -14.019 2.432 -2.031) 14.372 ======================= Grid point 227 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -0.314 -2.419 -2.594) 3.561 3.483 ( 13.144 -12.866 1.298) 18.439 3.701 ( 17.153 12.689 -2.440) 21.475 4.710 ( 3.711 1.297 4.118) 5.694 5.061 ( -13.202 -2.276 -4.920) 14.272 5.329 ( -1.750 -7.094 -0.447) 7.320 6.482 ( -5.487 9.439 -0.602) 10.935 6.667 ( 3.338 1.563 8.084) 8.885 7.114 ( -14.784 12.973 -3.512) 19.980 7.433 ( -3.835 2.208 -2.279) 4.978 8.673 ( -0.966 -16.887 8.586) 18.969 8.986 ( -9.837 -3.250 -1.821) 10.519 9.121 ( 15.281 1.923 -3.834) 15.872 9.324 ( 1.873 -5.375 -5.310) 7.784 9.634 ( -4.419 -9.987 3.703) 11.532 9.822 ( 15.719 -4.717 6.507) 17.654 10.535 ( -2.439 29.544 -7.714) 30.632 10.790 ( 2.689 -9.932 -0.885) 10.327 12.020 ( -2.378 9.909 0.955) 10.235 12.618 ( -10.884 -2.523 1.050) 11.222 13.133 ( 3.482 0.320 2.777) 4.465 13.479 ( 7.405 -1.103 -3.541) 8.282 13.796 ( -7.463 15.243 -2.523) 17.158 13.978 ( 8.837 -12.945 0.795) 15.694 16.555 ( 0.403 -10.999 1.855) 11.162 17.868 ( 5.735 -5.697 -0.008) 8.084 18.794 ( 8.393 11.256 -3.247) 14.411 19.496 ( -8.533 -4.697 1.771) 9.900 21.119 ( -3.406 -6.472 1.102) 7.396 21.470 ( -9.978 13.440 1.145) 16.778 ======================= Grid point 228 (134/226) ======================= q-point: (-0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 11.904 8.356 -1.483) 14.619 3.570 ( 8.258 -10.766 -0.184) 13.570 3.935 ( 0.020 3.656 -11.301) 11.878 4.697 ( 4.003 -6.994 -0.472) 8.072 4.891 ( -9.411 2.398 -0.710) 9.737 5.289 ( 4.360 -0.135 7.592) 8.756 6.472 ( -7.247 11.297 -0.648) 13.437 6.802 ( -0.197 -2.501 0.081) 2.510 7.028 ( -3.134 18.602 5.336) 19.604 7.367 ( -4.659 -9.992 3.326) 11.516 8.420 ( -6.902 -15.128 -1.267) 16.677 8.752 ( -10.267 -2.683 -2.876) 10.994 8.992 ( -8.790 -6.829 -1.654) 11.253 9.452 ( -0.796 -8.924 0.815) 8.996 9.558 ( 4.756 1.446 2.084) 5.390 10.144 ( 18.748 -3.041 6.894) 20.205 10.538 ( -7.283 10.725 -14.610) 19.532 10.878 ( 5.446 2.565 3.156) 6.797 12.182 ( 6.619 7.919 1.511) 10.431 12.445 ( -8.920 -0.488 10.813) 14.026 13.117 ( -6.071 0.413 1.636) 6.301 13.695 ( 17.120 4.288 -5.321) 18.433 13.769 ( -10.830 13.885 -1.299) 17.657 14.069 ( 18.509 -10.634 -11.037) 24.030 16.399 ( -6.157 -9.055 -2.126) 11.154 17.924 ( 5.593 -4.801 1.406) 7.504 18.887 ( -0.507 -4.883 -8.782) 10.061 19.411 ( -2.952 6.126 11.261) 13.155 21.003 ( -2.235 -9.094 6.281) 11.276 21.520 ( -4.994 18.218 2.300) 19.030 ======================= Grid point 229 (135/226) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 11.018 8.213 -4.098) 14.341 3.497 ( -18.969 0.708 -13.517) 23.304 3.649 ( 1.987 -13.075 -10.422) 16.838 4.577 ( -13.586 -5.506 7.735) 16.575 5.014 ( 22.501 5.063 -5.212) 23.645 5.590 ( 10.687 11.438 15.955) 22.352 6.462 ( -5.029 8.743 0.737) 10.113 6.687 ( -3.997 -2.176 -0.001) 4.550 6.963 ( -16.053 -28.570 -0.785) 32.780 7.380 ( 7.980 17.577 9.690) 21.599 8.267 ( -0.568 -0.484 -4.636) 4.696 8.514 ( -10.032 -3.159 -7.161) 12.724 8.799 ( -4.552 -9.637 3.809) 11.318 9.327 ( -4.935 -4.842 1.123) 7.004 9.613 ( -1.854 0.671 5.079) 5.448 10.349 ( 3.545 -2.532 -11.075) 11.901 10.467 ( -2.032 6.373 1.453) 6.845 10.990 ( 6.598 -1.143 0.466) 6.713 12.214 ( -1.647 -9.063 7.246) 11.720 12.587 ( 3.975 13.919 11.742) 18.639 13.021 ( -4.873 1.335 0.321) 5.062 13.686 ( -12.864 12.054 -0.962) 17.655 14.011 ( 15.755 11.319 -15.125) 24.599 14.259 ( 23.441 -12.414 -8.364) 27.812 16.159 ( -8.792 -7.425 -5.542) 12.772 17.956 ( 1.551 -2.696 -0.882) 3.233 18.654 ( -7.357 -12.581 -4.621) 15.289 19.602 ( 3.123 11.728 12.447) 17.385 20.952 ( 1.166 -10.008 10.543) 14.583 21.660 ( -2.579 17.829 4.672) 18.611 ======================= Grid point 230 (136/226) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -32.939 -5.358 -27.592) 43.301 3.139 ( 3.952 -25.421 -13.209) 28.919 3.758 ( 5.827 7.315 3.964) 10.158 4.529 ( -0.401 10.401 18.033) 20.821 5.437 ( 23.932 1.296 -7.875) 25.228 5.779 ( -9.970 -10.552 10.695) 18.031 6.461 ( -6.622 6.541 2.949) 9.764 6.530 ( -0.346 -0.176 -12.315) 12.322 6.731 ( 11.796 -1.963 10.313) 15.791 7.708 ( 1.953 18.115 6.504) 19.346 8.191 ( -14.912 2.509 0.843) 15.145 8.297 ( -1.583 -4.571 -5.363) 7.222 8.696 ( 3.100 -9.910 -1.807) 10.540 9.214 ( -2.948 -2.652 -1.689) 4.310 9.608 ( -2.739 -1.631 9.731) 10.240 10.222 ( -3.337 -1.984 -13.527) 14.074 10.444 ( -8.399 1.026 3.175) 9.037 11.105 ( 8.655 -5.200 -0.027) 10.097 12.175 ( 3.990 -11.641 9.938) 15.818 12.785 ( -6.159 12.356 9.615) 16.824 13.062 ( 6.373 6.454 1.544) 9.200 13.567 ( -12.958 9.891 0.932) 16.328 14.229 ( 7.903 15.264 -25.283) 30.572 14.492 ( 18.806 -12.822 0.238) 22.762 15.913 ( -4.816 -7.758 -8.082) 12.194 17.904 ( -2.715 -0.874 -4.665) 5.467 18.400 ( -7.124 -11.044 1.114) 13.190 19.850 ( 3.330 11.108 11.153) 16.090 20.961 ( 3.648 -11.058 12.207) 16.870 21.831 ( -0.922 14.799 7.746) 16.729 ======================= Grid point 231 (137/226) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -20.076 -18.465 -24.613) 36.740 2.742 ( -3.640 -39.590 -5.846) 40.184 3.914 ( 1.487 6.641 1.586) 6.988 4.862 ( 2.427 16.405 15.358) 22.602 5.340 ( 9.272 -41.620 -0.493) 42.643 5.829 ( 3.392 21.763 -1.705) 22.092 6.501 ( -2.126 15.351 -17.892) 23.671 6.530 ( -2.430 9.487 4.706) 10.866 7.136 ( 15.330 5.108 15.090) 22.109 7.761 ( -17.305 9.445 -5.061) 20.354 7.978 ( -6.870 8.836 4.352) 12.009 8.256 ( 2.178 -5.942 2.245) 6.715 8.680 ( 9.660 -10.625 -6.772) 15.877 9.159 ( 1.068 -2.795 -3.655) 4.724 9.613 ( -1.045 -3.771 12.016) 12.637 10.068 ( -2.146 -4.023 -9.825) 10.832 10.314 ( -6.717 1.088 2.317) 7.188 11.115 ( 0.401 -10.125 -0.589) 10.150 12.227 ( 8.033 -11.121 5.218) 14.677 12.817 ( -8.600 10.677 12.827) 18.774 13.323 ( 9.710 13.334 0.181) 16.496 13.481 ( -8.586 7.831 7.458) 13.808 14.262 ( -3.523 11.974 -23.315) 26.446 14.572 ( 0.759 -6.016 -1.547) 6.258 15.784 ( 6.622 -10.911 -7.486) 14.796 17.849 ( 2.070 0.021 -5.211) 5.607 18.171 ( -10.099 -9.311 3.924) 14.285 20.055 ( 0.888 9.742 8.847) 13.189 20.992 ( 4.187 -10.567 9.912) 15.081 22.019 ( 1.387 11.180 10.037) 15.088 ======================= Grid point 232 (138/226) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 16.569 -24.512 -4.069) 29.866 2.217 ( -5.784 -46.044 5.216) 46.699 3.965 ( 10.393 -8.759 -10.855) 17.395 4.913 ( -0.439 -5.156 3.258) 6.115 5.406 ( 6.305 4.061 2.456) 7.892 6.016 ( -5.501 14.591 11.420) 19.328 6.395 ( -14.115 8.622 -13.370) 21.268 6.676 ( 1.493 15.280 -2.092) 15.494 7.187 ( -13.574 6.690 0.199) 15.135 7.779 ( 9.529 6.963 3.755) 12.385 8.011 ( -3.137 6.628 3.530) 8.138 8.260 ( 4.181 -7.938 -0.496) 8.985 8.678 ( 5.129 -12.339 -4.914) 14.237 9.134 ( 1.946 -3.732 -2.945) 5.137 9.673 ( 4.869 -1.563 6.988) 8.659 9.958 ( 0.173 -4.326 -7.123) 8.335 10.363 ( 7.958 5.556 5.992) 11.406 10.905 ( -8.764 -15.570 -0.473) 17.873 12.230 ( 2.217 -7.778 -2.831) 8.569 12.915 ( -1.562 9.101 15.854) 18.347 13.460 ( -7.609 11.413 12.456) 18.528 13.730 ( 15.996 13.698 2.118) 21.166 14.029 ( -19.218 3.409 -11.922) 22.872 14.429 ( -7.935 3.476 -13.989) 16.454 15.782 ( 8.303 -12.677 -4.357) 15.768 17.879 ( -5.218 -5.044 1.521) 7.415 17.981 ( 5.457 -5.051 2.537) 7.856 20.170 ( -3.470 8.344 6.323) 11.029 21.011 ( 3.836 -8.593 5.123) 10.715 22.205 ( 0.985 9.638 6.926) 11.910 ======================= Grid point 268 (139/226) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 -0.000 39.683) 39.683 1.454 ( 0.000 -0.000 39.683) 39.683 2.591 ( 0.000 -0.000 63.224) 63.224 5.359 ( -0.000 0.000 -11.837) 11.837 5.975 ( -0.000 0.000 -26.048) 26.048 5.975 ( -0.000 0.000 -26.048) 26.048 6.943 ( -0.000 0.000 -9.441) 9.441 7.313 ( 0.000 -0.000 6.007) 6.007 7.313 ( 0.000 0.000 6.007) 6.007 7.993 ( -0.000 0.000 -4.602) 4.602 7.993 ( -0.000 0.000 -4.602) 4.602 8.595 ( -0.000 0.000 -3.721) 3.721 8.765 ( 0.000 -0.000 7.500) 7.500 8.765 ( 0.000 -0.000 7.500) 7.500 9.346 ( 0.000 -0.000 13.245) 13.245 9.815 ( 0.000 -0.000 6.163) 6.163 9.815 ( 0.000 -0.000 6.163) 6.163 10.573 ( -0.000 0.000 -20.138) 20.138 11.909 ( -0.000 0.000 -5.537) 5.537 11.909 ( -0.000 0.000 -5.537) 5.537 13.919 ( 0.000 -0.000 2.656) 2.656 14.106 ( 0.000 -0.000 1.080) 1.080 14.106 ( 0.000 -0.000 1.080) 1.080 15.384 ( -0.000 0.000 -0.778) 0.778 15.384 ( -0.000 0.000 -0.778) 0.778 17.652 ( -0.000 0.000 -0.184) 0.184 17.819 ( 0.000 -0.000 2.242) 2.242 17.819 ( 0.000 -0.000 2.242) 2.242 20.589 ( 0.000 -0.000 3.550) 3.550 22.481 ( -0.000 0.000 -1.774) 1.774 ======================= Grid point 269 (140/226) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -10.169 29.983 31.978) 45.000 2.282 ( 21.541 9.575 38.518) 45.159 3.212 ( 30.117 4.517 44.048) 53.550 4.925 ( -19.982 -9.500 -7.486) 23.357 5.546 ( -5.476 -11.706 -24.715) 27.890 6.132 ( 2.380 4.179 -24.032) 24.509 6.816 ( -0.798 -4.601 -8.305) 9.528 6.944 ( -16.497 -16.158 7.165) 24.178 7.626 ( 0.703 15.941 -5.196) 16.781 7.740 ( -18.072 -6.429 7.207) 20.490 7.985 ( 5.369 -1.014 2.136) 5.866 8.515 ( -14.415 7.550 8.610) 18.410 8.620 ( 1.851 -6.119 0.832) 6.446 9.070 ( 8.658 4.692 -1.921) 10.033 9.467 ( 15.489 -14.936 7.144) 22.672 10.018 ( -0.010 25.562 1.417) 25.601 10.052 ( 17.730 -8.176 5.772) 20.359 10.348 ( -6.202 3.557 -15.712) 17.262 11.902 ( 8.269 -9.730 -5.226) 13.797 12.206 ( 13.582 22.311 -18.859) 32.217 13.791 ( -12.700 -3.531 1.854) 13.312 13.957 ( -9.016 -10.260 1.022) 13.697 14.158 ( 2.849 4.364 1.136) 5.334 15.472 ( 5.689 3.843 2.604) 7.342 15.518 ( 7.140 4.987 8.303) 12.033 17.396 ( -10.767 -2.821 -6.898) 13.094 17.870 ( 2.318 4.988 1.428) 5.683 18.553 ( 45.525 16.883 -18.974) 52.130 20.597 ( -0.676 -0.940 3.193) 3.397 22.426 ( -3.051 -1.829 -2.359) 4.268 ======================= Grid point 270 (141/226) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -2.963 43.229 18.310) 47.041 2.808 ( 5.798 8.806 35.286) 36.827 3.836 ( 9.086 -3.571 -0.949) 9.809 4.780 ( 15.725 -2.833 -3.001) 16.258 5.319 ( 9.138 -5.973 2.070) 11.111 5.825 ( -19.720 -3.593 -14.222) 24.578 6.463 ( -20.927 -22.432 8.208) 31.757 6.817 ( 9.798 -4.450 -10.919) 15.331 7.483 ( -11.271 1.098 5.567) 12.619 7.748 ( -2.406 19.790 -6.175) 20.870 8.058 ( -1.302 3.027 0.666) 3.362 8.245 ( -13.180 -8.863 2.219) 16.037 8.716 ( 5.182 0.721 3.662) 6.386 9.214 ( 5.084 0.645 0.553) 5.155 9.636 ( 15.676 -16.465 7.672) 23.994 10.076 ( -3.358 3.160 -9.424) 10.492 10.262 ( 3.250 15.179 -6.102) 16.679 10.443 ( 9.057 9.042 2.192) 12.985 11.935 ( 9.189 -7.492 -4.051) 12.529 12.419 ( 4.136 13.671 -17.803) 22.825 13.530 ( -17.191 2.792 -0.284) 17.418 13.660 ( -8.292 -17.773 2.616) 19.786 14.277 ( 2.594 7.528 0.414) 7.973 15.642 ( 10.242 -3.743 6.301) 12.594 15.688 ( -7.145 6.244 21.226) 23.251 17.213 ( -1.333 1.445 -12.414) 12.569 18.015 ( 6.627 7.978 -0.688) 10.395 19.169 ( 27.219 6.654 -26.091) 38.287 20.607 ( 2.539 -1.361 0.677) 2.959 22.320 ( -4.365 -2.691 -3.878) 6.429 ======================= Grid point 271 (142/226) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -13.317 26.958 7.793) 31.062 3.173 ( 6.827 10.782 21.515) 25.015 3.752 ( -2.644 1.601 -3.264) 4.495 4.803 ( 3.823 -5.410 -19.505) 20.599 5.284 ( -17.934 -8.384 -10.157) 22.251 5.764 ( -2.219 -22.668 13.094) 26.272 6.228 ( 23.825 8.083 20.854) 32.678 6.852 ( 5.825 -5.078 -7.099) 10.494 7.410 ( -8.053 7.753 2.762) 11.515 7.770 ( -3.516 -4.387 -4.622) 7.278 7.981 ( -8.660 7.612 -5.560) 12.800 8.113 ( 1.596 7.886 0.672) 8.074 8.852 ( 9.433 -3.041 2.978) 10.349 9.251 ( 0.003 -1.807 0.268) 1.827 9.736 ( 6.572 -13.446 4.383) 15.595 9.950 ( -5.854 0.188 -5.874) 8.295 10.422 ( 1.997 12.389 -5.769) 13.811 10.686 ( 6.115 11.529 0.778) 13.074 12.022 ( 10.354 -4.533 -3.971) 11.980 12.455 ( 0.576 5.759 -11.243) 12.645 13.228 ( -19.203 2.762 -1.933) 19.497 13.427 ( -2.929 -13.132 3.568) 13.919 14.379 ( 0.290 6.760 0.234) 6.770 15.609 ( -21.847 1.275 24.766) 33.050 15.815 ( 11.600 -9.039 8.092) 16.785 17.252 ( 8.492 5.183 -8.179) 12.879 18.242 ( 9.510 11.550 -3.109) 15.281 19.347 ( 8.549 -0.555 -20.253) 21.990 20.678 ( 7.886 -1.043 -3.541) 8.707 22.179 ( -5.094 -3.176 -5.221) 7.956 ======================= Grid point 272 (143/226) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -23.654 7.562 6.021) 25.553 3.484 ( 6.439 2.741 13.736) 15.416 3.874 ( 5.658 18.279 -2.421) 19.288 4.542 ( -13.879 -9.225 -13.382) 21.373 5.079 ( 4.134 1.671 -1.671) 4.761 5.435 ( -6.646 -20.685 8.060) 23.173 6.706 ( 2.409 -4.389 -7.576) 9.081 6.969 ( 5.702 6.428 7.045) 11.111 7.346 ( -0.163 -1.282 1.835) 2.244 7.663 ( 0.197 3.571 -2.796) 4.540 8.008 ( 13.337 -4.098 -3.555) 14.399 8.336 ( 4.749 22.934 1.831) 23.492 8.960 ( 4.261 -6.744 -2.232) 8.284 9.216 ( 0.567 -2.716 1.041) 2.963 9.541 ( -14.914 -5.296 -5.333) 16.701 9.924 ( 4.963 -8.412 7.683) 12.426 10.447 ( -6.703 5.041 -0.123) 8.387 10.919 ( 6.646 15.120 -4.657) 17.160 12.137 ( 9.702 -1.611 -5.492) 11.264 12.457 ( 2.294 1.010 -5.298) 5.861 12.957 ( -12.544 1.563 -0.760) 12.663 13.317 ( -1.455 -5.096 1.378) 5.476 14.405 ( -3.213 0.456 2.272) 3.962 15.321 ( -26.422 3.011 16.467) 31.278 15.951 ( 10.961 -15.348 11.760) 22.226 17.443 ( 8.699 5.245 -0.060) 10.158 18.513 ( 8.801 14.079 -5.299) 17.429 19.298 ( 2.207 -2.821 -12.739) 13.233 20.798 ( 9.340 0.081 -5.274) 10.727 22.032 ( -3.943 -2.877 -6.292) 7.963 ======================= Grid point 273 (144/226) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -12.435 5.001 14.416) 19.684 3.596 ( -2.741 -1.708 9.413) 9.951 4.152 ( -4.218 -12.902 -12.066) 18.162 4.156 ( 3.008 19.396 -4.370) 20.109 5.229 ( -1.828 -0.466 8.215) 8.429 5.322 ( 11.453 -4.434 4.836) 13.199 6.530 ( -6.503 -3.617 -9.646) 12.183 6.974 ( -2.271 -1.437 0.324) 2.707 7.306 ( -1.898 1.027 -6.609) 6.952 7.804 ( 0.252 12.359 -4.702) 13.226 8.241 ( 19.907 -7.635 -3.557) 21.615 8.626 ( -15.056 -3.257 -1.509) 15.478 8.814 ( 9.755 4.373 1.482) 10.792 9.183 ( -13.058 -4.729 -2.481) 14.108 9.295 ( 5.351 -0.538 4.003) 6.704 9.980 ( 4.128 -6.284 7.150) 10.375 10.351 ( -9.417 5.043 3.040) 11.107 11.128 ( 5.535 10.378 -5.059) 12.803 12.262 ( 7.097 3.163 -4.192) 8.829 12.501 ( 5.513 0.802 -4.464) 7.139 12.846 ( -1.531 1.249 0.980) 2.206 13.285 ( 0.300 0.539 -1.749) 1.855 14.272 ( -10.467 -10.620 8.314) 17.072 15.031 ( -20.890 9.401 6.008) 23.682 16.024 ( 8.131 -18.892 13.568) 24.639 17.616 ( 4.609 3.160 4.274) 7.035 18.677 ( -1.841 11.161 -8.779) 14.319 19.318 ( 9.878 0.450 -4.320) 10.791 20.933 ( 7.962 2.459 -3.714) 9.123 21.923 ( -0.532 -2.174 -8.044) 8.350 ======================= Grid point 274 (145/226) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 3.469 6.395 17.573) 19.019 3.488 ( -13.311 3.387 9.290) 16.582 3.915 ( 0.865 -18.681 -8.790) 20.664 4.386 ( 5.931 17.368 -9.645) 20.733 5.187 ( -1.352 -4.400 10.127) 11.124 5.639 ( 16.713 5.872 4.348) 18.240 6.401 ( -0.706 1.154 -7.081) 7.209 6.923 ( -0.014 -7.048 -1.693) 7.249 7.312 ( 2.510 6.125 -5.212) 8.425 7.703 ( -18.801 -7.453 -8.431) 21.911 8.032 ( -21.636 0.777 -8.828) 23.380 8.433 ( 10.734 -10.159 -0.676) 14.795 8.924 ( -7.312 -3.524 0.574) 8.137 9.135 ( 6.019 1.263 4.066) 7.373 9.478 ( 10.812 4.735 2.550) 12.075 10.014 ( 1.019 -2.453 3.590) 4.466 10.298 ( -6.396 6.986 5.178) 10.795 11.241 ( 2.742 3.181 -3.840) 5.690 12.377 ( 1.418 7.508 -0.065) 7.641 12.598 ( 8.852 -0.220 -8.322) 12.152 12.942 ( 8.761 1.691 1.192) 9.002 13.312 ( 2.152 5.017 -5.597) 7.818 13.993 ( -12.660 -13.211 15.799) 24.175 14.858 ( -13.357 9.498 -0.319) 16.393 16.018 ( 3.553 -18.969 13.230) 23.398 17.723 ( 2.108 1.163 6.147) 6.601 18.587 ( -10.199 6.140 -8.807) 14.808 19.560 ( 14.667 4.566 -1.167) 15.406 21.066 ( 4.655 3.901 -0.595) 6.103 21.876 ( 4.161 -1.412 -11.404) 12.222 ======================= Grid point 275 (146/226) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -10.645 3.621 16.775) 20.195 3.361 ( -14.889 -15.362 11.039) 24.074 3.698 ( -0.069 6.834 -6.572) 9.481 4.611 ( 12.414 10.966 -13.691) 21.489 5.345 ( 14.059 6.469 5.653) 16.476 6.013 ( 15.731 0.035 3.541) 16.125 6.350 ( -14.306 -4.157 4.049) 15.438 6.569 ( -18.455 -18.814 -2.176) 26.444 7.156 ( 1.695 -10.395 -9.642) 14.279 7.538 ( 6.327 12.322 -3.375) 14.257 7.895 ( -7.840 17.520 -7.016) 20.436 8.397 ( -0.771 -9.130 -3.345) 9.754 8.809 ( -2.296 -9.799 7.015) 12.268 9.184 ( -0.456 -1.371 2.343) 2.753 9.669 ( 4.818 2.266 -5.431) 7.606 10.034 ( -1.248 2.682 5.902) 6.602 10.309 ( -3.733 6.124 2.977) 7.766 11.239 ( -1.815 -1.634 -1.810) 3.039 12.419 ( -3.210 -2.076 1.276) 4.030 12.689 ( 7.655 5.312 -14.076) 16.881 13.111 ( 9.495 -0.473 0.106) 9.508 13.385 ( 3.307 8.337 -8.471) 12.337 13.932 ( 2.718 -1.635 24.096) 24.304 14.721 ( -9.895 3.576 -1.810) 10.676 15.933 ( -1.749 -15.833 10.956) 19.333 17.798 ( 1.667 -0.422 6.675) 6.893 18.388 ( -12.757 4.373 -6.557) 14.996 19.844 ( 13.101 5.251 -2.775) 14.384 21.128 ( -0.804 0.146 -0.488) 0.952 21.903 ( 8.494 0.839 -14.048) 16.437 ======================= Grid point 280 (147/226) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 27.047 6.583 33.658) 43.678 2.525 ( -3.238 27.383 36.273) 45.564 3.410 ( -9.311 13.359 35.822) 39.350 4.999 ( 8.612 -15.366 2.688) 17.819 5.164 ( -13.776 -22.777 -24.166) 35.952 6.060 ( 1.807 10.813 -26.767) 28.925 6.763 ( -2.074 -5.615 -8.212) 10.162 7.080 ( -9.898 -13.395 4.374) 17.220 7.586 ( 14.196 6.378 -3.235) 15.896 7.908 ( 8.096 2.341 6.265) 10.501 8.045 ( -8.080 3.518 -1.290) 8.907 8.342 ( 6.842 -11.944 3.950) 14.321 8.754 ( 3.599 -14.647 3.830) 15.562 8.916 ( -4.354 6.539 -5.855) 9.798 9.500 ( -18.667 -2.652 10.214) 21.443 9.855 ( 7.859 7.411 5.501) 12.122 10.186 ( 0.708 2.153 -13.067) 13.262 10.401 ( 4.319 23.482 -1.313) 23.912 11.778 ( -8.147 -1.917 -7.385) 11.162 12.163 ( 8.006 21.157 -12.703) 25.944 13.799 ( 0.515 -13.770 1.707) 13.885 14.007 ( 2.178 -11.087 1.142) 11.357 14.125 ( -1.241 3.793 0.233) 3.998 15.416 ( 0.174 4.453 1.344) 4.655 15.573 ( 0.624 10.145 8.588) 13.306 17.562 ( 2.244 5.403 -9.167) 10.875 17.882 ( 7.032 2.629 1.551) 7.666 18.331 ( -11.040 33.126 -11.372) 36.722 20.617 ( -0.459 -1.575 3.327) 3.709 22.387 ( -0.065 -7.317 -1.731) 7.519 ======================= Grid point 281 (148/226) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 10.650 32.221 18.769) 38.780 3.088 ( 5.207 24.216 32.488) 40.854 3.580 ( 10.492 -4.434 10.185) 15.280 4.572 ( -9.602 -19.376 -21.957) 30.818 5.111 ( 9.759 -3.479 21.048) 23.460 5.927 ( -7.848 0.586 -24.515) 25.747 6.579 ( -6.237 -10.082 -1.164) 11.912 6.746 ( -11.860 -10.635 -0.297) 15.933 7.611 ( -9.290 -14.358 7.709) 18.758 7.909 ( 2.651 18.931 -8.834) 21.059 8.173 ( -0.671 10.859 4.934) 11.946 8.383 ( -10.512 -12.899 -2.493) 16.825 8.561 ( 10.328 -8.626 -1.695) 13.562 9.087 ( 14.317 -0.940 -2.029) 14.491 9.340 ( -1.784 -6.426 10.638) 12.555 9.979 ( 2.793 3.970 -13.771) 14.602 10.328 ( 10.287 11.844 3.623) 16.100 10.604 ( -6.496 21.207 -0.229) 22.180 11.704 ( 5.157 -4.077 -4.642) 8.048 12.387 ( 5.023 14.998 -14.553) 21.493 13.559 ( -5.746 -17.313 1.379) 18.294 13.956 ( -17.532 6.468 -1.182) 18.724 14.131 ( 12.694 -7.856 1.930) 15.053 15.512 ( 5.103 -3.214 5.987) 8.498 15.844 ( 7.526 10.589 15.322) 20.088 17.415 ( -16.493 14.510 -14.184) 26.148 18.015 ( 3.467 7.204 0.172) 7.997 18.672 ( 22.140 16.997 -18.502) 33.488 20.594 ( -1.244 -2.499 2.222) 3.568 22.280 ( -0.980 -9.534 -2.251) 9.845 ======================= Grid point 282 (149/226) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -12.846 30.969 5.626) 33.996 3.330 ( -1.454 7.764 14.222) 16.268 3.808 ( 0.357 3.221 6.975) 7.691 4.360 ( 21.720 -11.514 -16.876) 29.818 5.349 ( -6.522 -9.371 0.339) 11.422 5.662 ( 0.447 -5.162 3.807) 6.429 6.281 ( -9.078 -4.042 12.647) 16.084 6.648 ( 6.072 -2.346 -4.722) 8.042 7.442 ( 0.918 -9.698 4.702) 10.817 7.890 ( -14.997 -13.663 -5.110) 20.922 8.174 ( -0.807 12.489 -1.199) 12.573 8.267 ( -5.676 18.646 -2.147) 19.609 8.625 ( 9.980 -9.159 -1.946) 13.685 9.247 ( 1.405 3.816 -0.658) 4.119 9.417 ( 14.441 -13.516 8.094) 21.371 9.966 ( -0.447 6.326 -17.112) 18.249 10.596 ( -3.593 15.358 3.417) 16.138 10.700 ( 4.812 10.414 2.095) 11.662 11.775 ( 9.673 -3.516 -3.617) 10.909 12.446 ( -0.625 6.099 -10.895) 12.502 13.333 ( -2.847 -15.265 1.617) 15.613 13.658 ( -22.422 9.426 -2.644) 24.466 14.288 ( 11.262 -7.138 1.724) 13.444 15.579 ( 5.977 -15.154 13.276) 21.014 16.088 ( -6.378 8.983 19.669) 22.544 17.258 ( -6.548 18.481 -15.855) 25.215 18.201 ( 7.767 11.472 -1.565) 13.942 19.014 ( 16.439 5.791 -19.740) 26.333 20.576 ( 1.564 -1.626 0.037) 2.256 22.139 ( -1.760 -10.117 -3.665) 10.903 ======================= Grid point 283 (150/226) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -26.631 17.934 2.104) 32.175 3.438 ( 3.077 -7.073 5.094) 9.243 3.951 ( 5.959 18.377 -0.725) 19.332 4.599 ( 2.473 2.407 1.722) 3.857 4.960 ( -3.731 -10.070 -11.928) 16.049 5.430 ( -11.013 -19.112 6.485) 22.991 6.511 ( 10.724 0.477 -3.454) 11.276 6.862 ( 15.891 5.454 14.334) 22.085 7.418 ( -9.867 -11.990 -5.217) 16.381 7.531 ( 8.988 -8.941 4.342) 13.400 8.043 ( -14.739 5.993 -2.833) 16.161 8.522 ( 3.578 26.335 -3.257) 26.775 8.751 ( 12.514 -3.926 -2.511) 13.353 9.233 ( -4.702 1.136 0.481) 4.861 9.571 ( 8.286 -8.424 5.172) 12.899 9.842 ( -6.127 0.457 -10.380) 12.062 10.642 ( -5.790 9.549 0.882) 11.202 10.917 ( 6.061 8.687 1.449) 10.691 11.907 ( 10.870 -0.865 -4.531) 11.808 12.397 ( -0.272 -1.918 -5.404) 5.741 13.152 ( -6.439 -7.789 0.862) 10.142 13.402 ( -13.920 8.108 -3.142) 16.413 14.371 ( 5.366 -7.841 1.415) 9.606 15.540 ( 1.360 -29.711 21.677) 36.803 16.052 ( -17.318 15.746 7.399) 24.548 17.385 ( 6.571 14.240 -4.291) 16.260 18.481 ( 9.980 16.106 -3.375) 19.246 19.121 ( 6.334 -0.162 -15.199) 16.467 20.635 ( 6.587 0.885 -2.154) 6.986 21.979 ( -1.912 -9.906 -5.324) 11.407 ======================= Grid point 284 (151/226) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -27.349 18.292 11.440) 34.834 3.441 ( 8.972 -14.289 1.273) 16.920 4.175 ( -3.120 6.907 -8.204) 11.169 4.366 ( -12.776 6.092 2.885) 14.446 5.092 ( 12.585 -2.044 -2.702) 13.033 5.236 ( 2.286 -4.034 8.051) 9.291 6.512 ( -1.791 -3.900 -7.959) 9.043 6.962 ( -3.948 -11.809 -2.795) 12.761 7.279 ( 2.385 -2.055 -1.791) 3.622 7.799 ( 20.655 -4.703 2.114) 21.289 7.923 ( -4.074 10.475 -0.965) 11.281 8.775 ( 0.830 6.410 -7.780) 10.115 8.877 ( -1.894 16.192 2.578) 16.505 9.176 ( 0.583 0.805 0.966) 1.386 9.433 ( -15.039 -2.279 -2.125) 15.359 9.834 ( 8.892 -6.486 4.882) 12.040 10.590 ( -8.697 4.095 3.422) 10.204 11.084 ( 5.228 5.333 -3.225) 8.135 12.086 ( 11.702 4.342 -5.313) 13.566 12.373 ( 4.941 -5.785 -1.235) 7.707 12.977 ( -8.926 0.255 0.612) 8.951 13.304 ( -3.507 5.016 -3.670) 7.136 14.317 ( -2.514 -11.281 3.096) 11.965 15.296 ( -7.539 -28.819 17.756) 34.679 16.001 ( -8.806 12.094 4.035) 15.495 17.615 ( 5.477 8.301 4.448) 10.895 18.773 ( 3.515 17.538 -4.186) 18.370 19.118 ( 7.145 -1.659 -9.741) 12.194 20.789 ( 9.552 4.158 -2.301) 10.669 21.820 ( -0.500 -9.426 -7.653) 12.151 ======================= Grid point 285 (152/226) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -15.093 21.188 19.632) 32.590 3.486 ( 12.198 -14.241 -1.099) 18.784 3.883 ( -17.379 -4.496 1.143) 17.987 4.444 ( 0.011 14.055 -4.670) 14.811 5.172 ( 4.527 -10.097 9.716) 14.726 5.452 ( 11.555 8.567 -3.882) 14.899 6.378 ( -1.403 -1.866 -5.462) 5.940 6.804 ( 0.394 -11.146 -3.822) 11.789 7.257 ( 3.546 2.112 -8.518) 9.465 7.862 ( -6.385 -7.452 -9.845) 13.900 8.105 ( 6.848 6.441 -1.671) 9.549 8.486 ( -20.982 -1.153 2.788) 21.198 9.036 ( -4.981 6.522 -3.437) 8.897 9.162 ( -4.801 5.858 1.468) 7.715 9.377 ( 8.824 5.168 3.972) 10.970 9.968 ( 6.387 -1.626 7.463) 9.956 10.506 ( -7.048 2.891 4.260) 8.728 11.158 ( 4.190 -1.066 -4.926) 6.554 12.318 ( 11.113 7.582 -5.163) 14.410 12.431 ( 6.829 -4.144 -1.667) 8.160 12.896 ( -1.460 1.705 2.057) 3.044 13.315 ( 0.612 7.133 -4.841) 8.643 14.112 ( -8.500 -15.004 8.649) 19.292 14.997 ( -5.703 -22.923 8.592) 25.136 16.005 ( -5.506 5.532 6.702) 10.288 17.776 ( 1.380 5.260 7.143) 8.977 18.790 ( -9.947 7.377 -4.134) 13.056 19.322 ( 16.225 5.966 -5.985) 18.293 20.999 ( 8.460 6.771 -0.641) 10.855 21.688 ( 2.834 -8.626 -11.563) 14.702 ======================= Grid point 286 (153/226) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -8.121 23.805 22.738) 33.906 3.478 ( -2.142 -17.146 -0.191) 17.280 3.649 ( -2.856 0.697 6.324) 6.974 4.514 ( -1.248 10.245 -12.193) 15.974 5.206 ( 8.507 -10.311 13.368) 18.904 5.740 ( 17.039 6.282 -10.803) 21.130 6.397 ( 3.989 2.110 -1.132) 4.652 6.669 ( -3.385 -8.630 -1.758) 9.436 7.235 ( -34.522 -14.888 -8.944) 38.645 7.412 ( 12.627 6.181 -9.494) 16.964 8.175 ( -4.123 10.813 -4.857) 12.551 8.339 ( -3.338 -1.970 7.689) 8.611 8.873 ( -8.724 -2.828 0.067) 9.171 9.222 ( -1.622 6.241 0.224) 6.453 9.586 ( 5.857 4.792 -1.830) 7.786 10.111 ( 2.403 3.982 10.280) 11.283 10.461 ( -4.335 3.286 2.234) 5.880 11.162 ( 3.378 -5.967 -3.338) 7.626 12.405 ( -2.277 -6.782 -4.555) 8.481 12.559 ( 10.878 10.455 -7.977) 17.067 12.971 ( 5.208 0.214 0.581) 5.245 13.409 ( 2.316 12.076 -4.530) 13.104 13.961 ( 1.267 -10.842 18.699) 21.652 14.742 ( -2.808 -21.522 2.792) 21.883 15.987 ( -6.551 2.106 8.107) 10.634 17.865 ( -1.065 3.897 7.002) 8.084 18.618 ( -12.818 3.295 -2.603) 13.488 19.622 ( 15.145 5.661 -6.283) 17.347 21.129 ( -0.039 0.900 -2.357) 2.523 21.652 ( 9.875 -1.413 -13.620) 16.883 ======================= Grid point 291 (154/226) ======================= q-point: ( 0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 5.121 3.614 32.739) 33.334 2.958 ( -1.507 6.542 34.596) 35.241 3.833 ( -5.123 3.286 -3.590) 7.066 4.758 ( -2.301 -3.775 -13.011) 13.742 5.298 ( -15.204 8.872 17.386) 24.742 5.846 ( 10.880 -5.910 -14.362) 18.962 6.710 ( -2.594 -0.814 -11.236) 11.560 7.086 ( 10.465 1.609 7.068) 12.731 7.258 ( 9.662 -10.778 -7.897) 16.489 7.655 ( 12.403 -9.388 5.763) 16.588 8.047 ( 3.748 -3.850 0.236) 5.378 8.387 ( -0.406 -3.412 4.232) 5.451 8.599 ( -6.459 -3.953 -0.704) 7.605 9.145 ( -12.750 7.030 -4.771) 15.321 9.781 ( -15.777 -12.329 2.022) 20.125 9.962 ( 3.911 15.626 7.777) 17.887 10.011 ( 1.001 -3.183 -14.870) 15.240 10.581 ( 5.007 23.777 2.838) 24.463 11.932 ( -12.598 -0.039 -9.764) 15.939 12.180 ( 1.305 13.257 -9.586) 16.412 13.527 ( 11.567 -14.429 0.766) 18.509 13.971 ( -9.404 -14.251 -0.681) 17.088 14.053 ( 12.329 4.194 1.746) 13.140 15.633 ( -12.684 8.656 4.535) 16.011 15.717 ( 0.229 1.123 15.974) 16.015 17.366 ( 15.222 11.122 -9.188) 20.972 17.898 ( -4.301 1.951 -0.248) 4.729 18.895 ( -21.552 25.230 -21.488) 39.532 20.630 ( -0.512 0.532 1.581) 1.745 22.283 ( 0.880 -9.379 -2.210) 9.676 ======================= Grid point 292 (155/226) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 33.445 20.893 23.765) 46.042 3.281 ( 8.807 5.935 26.147) 28.221 3.702 ( -9.565 2.454 -1.157) 9.942 4.392 ( -10.749 -17.526 -24.262) 31.802 5.384 ( -10.505 21.366 31.345) 39.362 5.828 ( 1.344 -4.061 -17.859) 18.364 6.558 ( -2.737 -4.786 -6.685) 8.665 6.784 ( -10.027 -17.326 -0.580) 20.027 7.582 ( 5.140 -13.065 9.968) 17.218 7.908 ( 12.129 -3.292 -7.234) 14.500 8.103 ( 16.528 -8.479 1.797) 18.662 8.234 ( -5.043 -2.098 1.430) 5.646 8.505 ( -5.799 4.092 -5.155) 8.772 8.958 ( -4.826 5.210 -5.634) 9.065 9.510 ( -9.849 -5.047 6.226) 12.698 9.958 ( -0.279 6.176 -11.133) 12.734 10.261 ( 10.711 11.542 6.158) 16.907 10.876 ( -0.053 18.575 -0.508) 18.582 11.684 ( -7.887 1.861 -6.310) 10.271 12.351 ( 6.474 12.059 -9.487) 16.653 13.505 ( -5.597 -15.565 -0.133) 16.541 13.745 ( 12.609 -15.219 1.529) 19.823 14.244 ( -2.260 7.603 -0.866) 7.979 15.530 ( -6.738 -1.436 8.906) 11.260 15.937 ( 5.872 12.454 14.613) 20.078 17.617 ( 2.897 14.373 -15.191) 21.113 17.938 ( 6.953 1.989 -0.014) 7.232 18.711 ( -11.432 23.154 -17.509) 31.199 20.613 ( -1.910 -1.294 1.305) 2.651 22.165 ( -0.164 -12.840 -0.704) 12.860 ======================= Grid point 293 (156/226) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 14.955 21.066 10.624) 27.934 3.430 ( -0.003 -5.520 -8.051) 9.762 3.854 ( 14.816 10.321 23.590) 29.708 3.916 ( -7.096 -9.572 -17.274) 20.985 5.516 ( -16.248 -3.297 -5.492) 17.465 5.667 ( -1.345 9.202 9.194) 13.077 6.405 ( -6.503 -14.891 2.975) 16.519 6.576 ( 1.060 0.288 4.505) 4.637 7.374 ( -6.189 -17.059 7.094) 19.484 7.821 ( -4.046 -24.588 -8.006) 26.173 8.198 ( 11.481 6.717 -3.501) 13.754 8.365 ( 8.503 0.157 -2.723) 8.930 8.543 ( -5.049 15.809 0.648) 16.608 9.044 ( 12.241 0.471 -2.871) 12.582 9.383 ( -4.602 -2.503 5.555) 7.635 9.974 ( -1.486 13.108 -12.525) 18.190 10.605 ( 12.438 6.616 7.390) 15.909 10.919 ( -9.070 11.355 -3.394) 14.924 11.633 ( 2.126 2.259 -2.951) 4.281 12.457 ( 0.292 6.284 -8.428) 10.517 13.240 ( -3.868 -14.472 -0.240) 14.982 13.910 ( 17.370 -13.389 2.317) 22.053 14.127 ( -18.008 10.398 -3.616) 21.107 15.464 ( -0.730 -13.530 12.280) 18.286 16.294 ( 5.951 13.087 19.167) 23.959 17.566 ( -13.341 19.163 -17.692) 29.295 18.117 ( 11.166 5.396 -4.892) 13.332 18.782 ( 6.605 14.290 -13.792) 20.929 20.570 ( -1.661 -1.001 0.709) 2.065 22.022 ( -0.580 -13.738 -0.657) 13.766 ======================= Grid point 294 (157/226) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -1.088 -2.123 -9.691) 9.980 3.288 ( -13.470 1.920 -0.918) 13.637 3.991 ( 9.779 16.200 -0.278) 18.925 4.397 ( 23.488 1.922 10.472) 25.789 5.061 ( -20.368 -5.779 -10.990) 23.854 5.552 ( -17.741 -10.001 10.613) 22.965 6.341 ( 7.343 -1.246 -3.311) 8.150 6.796 ( 9.812 5.754 18.220) 21.479 7.244 ( 4.197 -13.860 -3.582) 14.918 7.419 ( -6.643 -20.425 -2.131) 21.584 8.366 ( -6.990 1.227 -1.851) 7.334 8.479 ( 8.940 7.545 -0.364) 11.704 8.665 ( 4.648 20.571 -3.617) 21.397 9.277 ( 16.238 -4.328 1.442) 16.866 9.349 ( -2.494 0.118 3.548) 4.338 9.955 ( -7.842 11.101 -12.186) 18.254 10.820 ( -4.625 4.717 -5.906) 8.861 10.883 ( 5.979 3.356 8.030) 10.559 11.736 ( 7.174 4.298 -2.002) 8.599 12.383 ( -4.813 -2.385 -5.746) 7.866 13.100 ( 0.375 -8.423 -0.527) 8.448 13.829 ( -22.678 11.216 -4.203) 25.646 14.081 ( 14.535 -14.141 1.061) 20.307 15.358 ( -0.311 -24.162 15.265) 28.581 16.512 ( -9.553 10.656 16.328) 21.712 17.485 ( -4.139 19.859 -11.923) 23.530 18.385 ( 14.884 10.769 -7.827) 19.968 18.947 ( 6.664 7.158 -9.674) 13.756 20.572 ( 1.798 1.799 0.273) 2.558 21.862 ( -1.359 -13.452 -1.765) 13.635 ======================= Grid point 295 (158/226) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -7.220 -9.799 1.531) 12.267 3.251 ( -7.238 13.939 -0.141) 15.707 4.211 ( 0.654 2.248 -3.929) 4.574 4.614 ( -3.094 -0.738 -10.019) 10.511 4.850 ( 7.321 3.797 5.262) 9.783 5.279 ( -8.228 -3.065 11.689) 14.620 6.429 ( 4.566 -0.083 -4.893) 6.693 6.850 ( -5.948 -19.795 -6.347) 21.622 7.164 ( 7.493 -4.885 4.028) 9.810 7.432 ( 14.122 -6.364 2.823) 15.745 8.226 ( -12.974 14.116 2.261) 19.305 8.714 ( 10.170 6.070 -3.473) 12.342 8.965 ( 7.313 18.297 -1.891) 19.795 9.307 ( -5.166 1.902 1.911) 5.827 9.526 ( 12.482 -2.540 6.232) 14.181 9.762 ( -14.026 4.409 -8.389) 16.928 10.729 ( -4.610 -0.202 -4.512) 6.454 11.024 ( 4.043 -0.881 2.964) 5.090 11.933 ( 9.634 8.397 -2.126) 12.956 12.241 ( -0.600 -8.266 -2.421) 8.634 13.046 ( -0.591 -2.704 -0.665) 2.846 13.546 ( -17.871 9.836 -4.163) 20.820 14.144 ( 8.550 -14.842 0.006) 17.129 15.139 ( -3.519 -32.338 16.109) 36.299 16.434 ( -17.366 14.053 4.842) 22.859 17.648 ( 4.619 12.117 2.221) 13.156 18.727 ( 17.354 11.944 -11.166) 23.843 19.019 ( -0.852 5.557 -2.994) 6.370 20.686 ( 6.889 5.713 0.239) 8.953 21.687 ( -1.790 -12.706 -3.863) 13.401 ======================= Grid point 296 (159/226) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -6.474 -6.428 7.148) 11.590 3.298 ( -4.192 11.656 5.434) 13.526 4.055 ( -7.227 -4.837 -5.615) 10.351 4.605 ( -3.980 9.384 2.920) 10.603 4.975 ( 8.851 -4.847 -4.345) 10.987 5.373 ( 4.886 3.028 6.862) 8.952 6.364 ( -4.727 -3.939 -5.290) 8.115 6.639 ( 4.853 -8.581 -4.007) 10.642 7.145 ( 0.800 -6.808 -6.079) 9.162 7.621 ( 12.311 -7.665 -2.628) 14.739 8.258 ( -5.993 16.265 3.382) 17.661 8.800 ( -9.118 7.995 -4.837) 13.056 9.166 ( -2.401 2.838 -3.126) 4.857 9.318 ( 3.976 9.618 3.578) 11.005 9.448 ( -15.136 8.104 1.234) 17.214 9.835 ( 13.778 -0.412 8.136) 16.006 10.603 ( -3.798 -4.853 -3.067) 6.884 11.046 ( 1.995 -4.545 -1.802) 5.281 12.152 ( 9.795 -1.017 -3.412) 10.422 12.252 ( 8.464 3.300 -0.320) 9.090 12.997 ( -4.356 1.598 0.612) 4.680 13.401 ( -5.982 8.404 -3.418) 10.867 14.070 ( 0.180 -15.100 0.436) 15.108 14.819 ( -4.036 -34.359 13.110) 36.996 16.324 ( -13.616 13.657 2.182) 19.408 17.840 ( 3.042 6.109 6.820) 9.648 18.952 ( 1.959 -3.767 -3.553) 5.536 19.107 ( 7.640 18.026 -6.194) 20.534 20.917 ( 10.081 9.564 0.716) 13.914 21.503 ( -1.132 -11.912 -7.444) 14.092 ======================= Grid point 297 (160/226) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 7.127 -2.708 6.514) 10.028 3.391 ( -3.722 11.080 9.403) 15.001 3.853 ( -11.420 -2.738 3.606) 12.284 4.659 ( -4.258 12.873 -2.226) 13.741 4.992 ( 5.518 -19.233 5.440) 20.735 5.465 ( 8.261 0.237 -9.667) 12.718 6.327 ( 4.368 2.190 -2.000) 5.280 6.658 ( -0.498 2.510 1.532) 2.982 7.140 ( 12.365 -2.286 -10.760) 16.550 7.539 ( -12.502 -8.319 -9.018) 17.516 8.288 ( -7.567 8.896 1.936) 11.838 8.588 ( -14.721 4.645 5.068) 16.247 9.007 ( -9.424 -1.617 -4.007) 10.367 9.376 ( -5.807 10.771 -1.363) 12.312 9.547 ( 4.903 5.329 2.210) 7.570 10.141 ( 9.109 7.084 13.245) 17.567 10.486 ( -0.056 -7.243 -3.419) 8.010 11.015 ( 2.974 -6.624 -2.405) 7.649 12.288 ( 10.923 -6.945 0.070) 12.944 12.415 ( 4.254 9.140 -10.293) 14.407 12.982 ( -1.311 5.047 2.101) 5.621 13.466 ( 3.059 12.111 -1.563) 12.588 13.910 ( -0.498 -14.610 7.076) 16.240 14.512 ( -0.774 -31.731 8.310) 32.811 16.249 ( -11.021 9.471 3.580) 14.965 17.948 ( 0.263 2.369 5.272) 5.786 18.847 ( -9.845 -0.869 3.476) 10.476 19.388 ( 13.059 9.458 -10.059) 19.005 21.135 ( -0.336 2.824 -1.311) 3.132 21.391 ( 9.664 -1.333 -9.948) 13.933 ======================= Grid point 302 (161/226) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -10.258 2.637 21.286) 23.775 3.167 ( -1.614 -0.208 18.360) 18.432 3.743 ( 3.040 -4.632 -0.589) 5.572 4.675 ( -4.392 -4.947 -19.570) 20.658 5.406 ( 15.978 -7.930 -8.555) 19.783 6.106 ( -22.233 28.029 29.355) 46.278 6.467 ( 27.275 -3.379 4.369) 27.829 6.892 ( 2.820 9.085 -15.150) 17.889 7.176 ( -10.085 -18.810 4.589) 21.831 7.505 ( -5.540 -9.906 -0.949) 11.389 7.876 ( 5.074 -11.242 -4.842) 13.251 8.322 ( 9.463 11.746 1.212) 15.133 8.803 ( -13.283 1.373 1.352) 13.422 9.314 ( 0.603 5.289 0.513) 5.348 9.799 ( 2.836 -3.835 -14.539) 15.301 9.967 ( -20.324 -9.468 -7.079) 23.512 10.116 ( 4.500 9.617 9.651) 14.349 10.713 ( 4.398 13.192 4.603) 14.648 12.044 ( -4.982 5.320 -9.253) 11.779 12.269 ( -6.134 3.712 -5.440) 9.000 13.195 ( 9.934 -13.634 -0.671) 16.883 13.798 ( 18.636 4.526 4.339) 19.663 14.069 ( -14.892 -14.701 -2.014) 21.022 15.702 ( 9.201 -11.828 18.783) 24.029 15.991 ( -10.136 12.449 9.405) 18.606 17.279 ( 4.330 16.443 -6.165) 18.087 18.029 ( -9.572 2.376 -3.885) 10.600 19.210 ( -9.032 11.931 -20.806) 25.628 20.680 ( -2.386 5.236 -2.494) 6.271 22.146 ( 1.785 -9.859 -3.581) 10.640 ======================= Grid point 303 (162/226) ======================= q-point: ( 0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 16.164 21.596 23.609) 35.848 3.292 ( 4.971 0.169 5.916) 7.730 3.755 ( 1.334 -4.509 11.338) 12.275 4.339 ( -11.842 -8.394 -19.200) 24.070 5.533 ( 11.213 -5.767 -10.507) 16.413 6.134 ( -18.419 17.932 23.327) 34.713 6.537 ( -6.716 -0.998 -13.560) 15.165 6.806 ( -10.700 -9.621 2.951) 14.689 7.260 ( 26.060 -4.550 3.891) 26.739 7.498 ( 11.732 -13.542 6.793) 19.162 7.824 ( 5.542 -13.864 -1.916) 15.053 8.432 ( -13.589 0.152 0.207) 13.592 8.617 ( -1.365 15.080 -6.689) 16.554 9.205 ( -17.555 4.495 -4.921) 18.778 9.591 ( -6.517 -8.677 -0.066) 10.852 9.845 ( 9.991 3.168 -8.067) 13.226 10.325 ( 3.247 9.543 7.773) 12.729 10.985 ( 4.851 13.295 1.160) 14.200 11.861 ( -11.354 5.185 -8.873) 15.314 12.300 ( 4.525 6.285 -4.230) 8.824 13.288 ( 13.387 -10.162 1.090) 16.843 13.609 ( -13.663 -17.462 -1.752) 22.241 14.189 ( 14.160 5.022 2.681) 15.261 15.773 ( -10.259 -10.750 20.543) 25.354 16.032 ( 4.137 17.234 2.902) 17.959 17.540 ( 8.488 17.059 -8.912) 21.036 17.936 ( -2.103 2.714 -0.739) 3.512 19.021 ( -12.555 13.462 -19.617) 26.901 20.660 ( -3.059 2.795 -1.972) 4.589 22.027 ( 0.327 -13.774 -0.672) 13.794 ======================= Grid point 304 (163/226) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 21.196 10.451 4.225) 24.008 3.367 ( 5.077 4.778 -1.079) 7.055 3.898 ( 5.380 -4.389 22.983) 24.009 3.945 ( -11.565 0.689 -14.605) 18.643 5.466 ( -1.664 -9.761 -15.812) 18.656 6.134 ( -6.756 8.329 8.688) 13.802 6.313 ( -9.131 -6.472 -4.056) 11.904 6.671 ( -7.184 5.782 12.944) 15.893 7.383 ( -4.588 -18.196 14.656) 23.811 7.502 ( 5.386 -23.294 -7.639) 25.099 7.889 ( 16.325 -6.870 -1.261) 17.756 8.326 ( 2.637 9.247 -1.512) 9.734 8.761 ( -1.128 18.165 -2.241) 18.338 8.989 ( -5.565 4.432 -4.968) 8.677 9.429 ( -4.485 -6.242 -1.051) 7.758 10.034 ( 6.354 8.562 -2.454) 10.941 10.535 ( 6.235 8.533 3.966) 11.288 11.078 ( -3.409 3.997 -3.030) 6.064 11.720 ( -7.039 8.370 -4.394) 11.786 12.431 ( 5.058 4.743 -4.500) 8.266 13.206 ( -9.250 -12.910 -1.216) 15.928 13.486 ( 16.402 -12.138 1.652) 20.472 14.380 ( -0.477 7.088 -1.566) 7.275 15.530 ( -13.345 -12.827 13.985) 23.199 16.404 ( 11.113 16.433 11.405) 22.883 17.733 ( 2.715 15.923 -16.386) 23.009 17.973 ( 2.414 1.895 0.347) 3.089 18.868 ( -6.255 13.184 -13.777) 20.069 20.617 ( -3.154 2.219 -1.241) 4.051 21.890 ( -0.092 -14.518 1.693) 14.617 ======================= Grid point 305 (164/226) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 2.775 -10.995 -19.357) 22.434 3.594 ( -5.116 9.993 3.407) 11.732 3.930 ( 14.377 17.813 -4.988) 23.428 4.139 ( 9.358 -10.081 18.440) 23.005 5.167 ( -8.742 -7.969 -13.295) 17.795 6.002 ( -19.906 -6.122 7.746) 22.219 6.192 ( 0.970 5.861 1.320) 6.085 6.790 ( 6.008 1.247 12.068) 13.539 7.107 ( -8.505 -17.504 -4.101) 19.888 7.299 ( -1.231 -14.048 5.279) 15.057 8.120 ( 16.123 -1.562 -1.359) 16.255 8.600 ( 11.336 14.931 0.549) 18.755 8.821 ( -7.451 8.271 5.215) 12.293 9.049 ( 6.857 6.958 -8.110) 12.697 9.328 ( 1.358 -5.487 0.301) 5.660 10.151 ( -3.514 11.895 -4.103) 13.064 10.718 ( 6.725 -0.641 -0.579) 6.780 10.971 ( -5.134 0.092 -3.552) 6.243 11.746 ( 0.126 10.897 -0.118) 10.898 12.432 ( -5.112 -1.002 -4.030) 6.586 13.003 ( -0.408 -8.022 -1.269) 8.132 13.659 ( 16.273 -13.241 1.596) 21.040 14.287 ( -17.242 10.558 -5.388) 20.924 15.270 ( -6.568 -20.811 12.402) 25.101 16.786 ( 3.169 12.337 16.568) 20.898 17.710 ( -8.716 15.270 -15.648) 23.537 18.110 ( 14.507 2.816 -9.138) 17.375 18.927 ( 3.392 12.030 -4.476) 13.277 20.602 ( -1.277 4.224 0.143) 4.415 21.753 ( -1.309 -13.496 2.585) 13.803 ======================= Grid point 306 (165/226) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 3.715 -10.674 -11.831) 16.362 3.630 ( -6.838 16.148 2.151) 17.667 4.123 ( 0.495 -16.299 -1.095) 16.343 4.350 ( 17.837 9.022 -7.786) 21.451 4.948 ( -5.472 -2.256 0.403) 5.933 5.673 ( -22.781 3.685 15.750) 27.940 6.292 ( 7.163 0.255 -1.418) 7.306 6.723 ( -7.356 -18.539 -11.053) 22.803 6.994 ( 8.945 -4.846 8.822) 13.466 7.273 ( 2.634 -2.242 4.360) 5.565 8.414 ( 14.250 6.776 2.343) 15.952 8.733 ( -10.127 12.367 4.247) 16.539 8.992 ( 9.106 14.802 -2.156) 17.512 9.193 ( 12.845 -6.725 1.500) 14.576 9.369 ( 5.154 2.105 -1.750) 5.835 10.069 ( -14.215 8.168 -4.720) 17.060 10.670 ( 0.163 -8.530 -10.557) 13.574 10.976 ( 2.873 -0.331 3.309) 4.394 11.916 ( 4.389 12.849 1.051) 13.619 12.235 ( -8.493 -6.088 -1.978) 10.635 12.982 ( 3.451 -2.603 -1.374) 4.536 13.784 ( 13.441 -15.046 0.467) 20.181 13.987 ( -23.391 9.479 -5.459) 25.822 15.016 ( -5.408 -24.895 9.805) 27.297 16.860 ( -13.796 7.708 8.502) 17.945 17.725 ( 1.189 12.444 -1.978) 12.656 18.372 ( 20.151 2.811 -15.592) 25.634 19.105 ( 2.979 12.207 1.867) 12.703 20.675 ( 2.701 7.452 1.502) 8.068 21.603 ( -3.314 -11.603 1.982) 12.228 ======================= Grid point 307 (166/226) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 1.284 -10.967 -0.562) 11.056 3.632 ( -7.768 7.890 0.376) 11.079 3.973 ( 3.190 -8.330 -7.094) 11.397 4.639 ( 11.208 7.236 -6.546) 14.860 4.876 ( -4.062 -0.823 3.120) 5.187 5.507 ( -11.809 2.067 13.863) 18.328 6.390 ( -6.782 -8.739 -7.056) 13.121 6.440 ( 9.426 2.923 -0.518) 9.882 7.040 ( 0.380 -8.423 -0.176) 8.434 7.371 ( 8.800 -2.178 0.030) 9.065 8.611 ( -9.580 16.577 7.192) 20.452 8.881 ( 9.007 11.905 0.031) 14.928 9.132 ( 1.352 0.291 -5.917) 6.077 9.351 ( 5.591 1.556 3.958) 7.025 9.593 ( 17.797 3.176 3.496) 18.413 9.821 ( -17.170 4.773 -1.141) 17.857 10.498 ( -0.213 -11.899 -11.644) 16.650 11.002 ( -0.695 -3.045 1.991) 3.704 11.989 ( -0.074 -5.583 -3.125) 6.399 12.228 ( 5.546 12.249 3.178) 13.816 13.026 ( 2.605 1.374 -0.519) 2.991 13.668 ( -17.790 6.465 -3.245) 19.205 13.819 ( 8.491 -15.818 -1.247) 17.996 14.692 ( -8.341 -25.999 7.101) 28.213 16.699 ( -15.002 8.098 1.564) 17.120 17.879 ( 3.006 5.122 5.874) 8.353 18.634 ( 18.676 -1.189 -12.730) 22.634 19.271 ( -0.933 13.689 2.868) 14.017 20.866 ( 7.885 10.690 1.591) 13.378 21.429 ( -5.486 -9.340 -0.097) 10.833 ======================= Grid point 308 (167/226) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 2.765 -9.490 2.293) 10.147 3.626 ( -0.855 4.720 1.398) 4.996 3.920 ( 0.886 -7.882 0.264) 7.936 4.796 ( 3.091 -1.453 -6.215) 7.092 4.819 ( -3.333 5.506 6.117) 8.879 5.395 ( -5.550 -4.914 1.195) 7.509 6.300 ( 1.472 5.448 -1.171) 5.764 6.685 ( 10.467 11.376 0.809) 15.480 6.910 ( -1.810 -7.658 -4.516) 9.073 7.463 ( 4.774 -4.337 -2.895) 7.069 8.621 ( -12.738 15.477 3.580) 20.362 8.901 ( -13.236 2.935 -5.683) 14.700 9.088 ( -2.821 -0.103 0.042) 2.823 9.488 ( 6.936 -2.016 3.074) 7.850 9.601 ( -10.587 4.045 -0.036) 11.333 10.076 ( 19.542 12.134 10.716) 25.376 10.301 ( 1.579 -15.822 -8.493) 18.027 10.928 ( -1.857 -5.695 -0.628) 6.023 12.010 ( 10.352 -3.869 -2.062) 11.242 12.443 ( 1.686 11.423 -1.874) 11.698 13.077 ( -0.685 5.001 1.513) 5.270 13.539 ( -1.901 6.992 0.085) 7.246 13.753 ( 3.333 -14.104 -1.935) 14.621 14.334 ( -7.083 -25.261 6.474) 27.022 16.548 ( -12.018 6.194 0.855) 13.547 17.965 ( 1.021 -1.309 3.199) 3.604 18.827 ( 11.108 -4.255 -0.650) 11.913 19.365 ( -2.630 11.968 -3.242) 12.675 21.168 ( 11.713 13.595 0.318) 17.948 21.226 ( -7.157 -7.035 -3.627) 10.670 ======================= Grid point 313 (168/226) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 5.124 1.179 10.595) 11.828 3.349 ( -13.134 1.391 6.585) 14.758 3.742 ( -1.206 -2.722 10.994) 11.390 4.552 ( 2.738 -5.406 -14.536) 15.748 5.093 ( 6.609 -2.285 -1.591) 7.171 5.948 ( 28.094 1.134 7.217) 29.028 6.689 ( -6.659 -2.464 0.352) 7.109 6.856 ( -2.904 -1.139 -7.775) 8.377 7.299 ( -8.099 -0.169 4.726) 9.379 7.611 ( 5.209 -7.799 -7.341) 11.910 7.708 ( -23.945 0.532 3.470) 24.201 8.378 ( 4.054 21.815 2.631) 22.344 9.037 ( -7.273 5.815 0.566) 9.329 9.280 ( 5.416 2.118 0.343) 5.826 9.576 ( 8.077 -6.122 -12.174) 15.840 10.147 ( 5.440 3.735 8.749) 10.959 10.200 ( -17.903 -7.591 -6.785) 20.595 10.753 ( 2.271 3.841 5.245) 6.886 12.122 ( -3.854 6.572 -8.863) 11.688 12.364 ( -5.195 -0.796 -2.426) 5.789 12.935 ( 6.110 -8.298 -0.246) 10.308 13.564 ( 15.977 4.042 4.650) 17.124 14.175 ( -14.765 -13.874 -1.598) 20.323 15.404 ( 17.011 -19.987 14.024) 29.758 16.311 ( -1.905 15.440 14.112) 21.004 17.428 ( -2.860 14.946 1.205) 15.265 18.218 ( -13.426 1.902 -8.132) 15.811 19.259 ( -1.720 5.491 -14.230) 15.349 20.773 ( -3.562 7.367 -5.718) 9.983 21.991 ( 1.690 -9.188 -5.032) 10.611 ======================= Grid point 314 (169/226) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 9.579 20.905 16.092) 28.067 3.267 ( -2.957 3.633 -0.338) 4.697 3.783 ( 0.881 -6.453 18.456) 19.571 4.364 ( -8.616 -2.542 -13.688) 16.372 5.208 ( 11.637 -7.404 -2.534) 14.024 6.337 ( 1.073 -12.048 -7.514) 14.239 6.484 ( 4.232 -4.002 0.976) 5.906 6.781 ( 8.658 -3.606 -10.333) 13.954 7.212 ( -2.253 -3.117 6.812) 7.823 7.491 ( -19.244 13.755 20.431) 31.256 7.590 ( 5.651 -8.910 -4.254) 11.376 8.636 ( -4.154 12.351 -1.567) 13.125 8.824 ( -12.310 9.281 -6.141) 16.595 9.406 ( 0.896 0.678 0.619) 1.283 9.612 ( 3.931 1.561 -8.887) 9.842 9.725 ( -14.031 -5.988 -3.945) 15.757 10.342 ( 7.428 1.499 9.610) 12.238 10.989 ( 8.736 8.310 3.192) 12.472 12.023 ( -7.276 6.500 -10.640) 14.436 12.279 ( -0.557 -1.607 -0.876) 1.913 13.011 ( 9.236 -4.752 1.313) 10.470 13.702 ( -15.372 -15.135 -0.729) 21.585 13.967 ( 16.936 2.978 4.370) 17.742 15.637 ( 18.393 -15.966 14.755) 28.477 16.327 ( -14.141 11.183 3.534) 18.371 17.642 ( 1.781 21.541 3.252) 21.858 18.019 ( -6.476 2.813 -5.915) 9.211 19.160 ( -6.264 6.183 -15.183) 17.550 20.743 ( -3.740 6.004 -5.634) 9.043 21.871 ( 0.855 -13.605 -1.803) 13.750 ======================= Grid point 315 (170/226) ======================= q-point: ( 0.45 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 4.088 15.529 7.096) 17.556 3.288 ( 7.309 6.368 -4.234) 10.578 3.874 ( 3.637 -11.328 21.710) 24.756 4.115 ( -11.160 8.040 -9.236) 16.568 5.241 ( 5.811 -13.049 -6.246) 15.590 6.025 ( -3.984 -13.862 -11.527) 18.464 6.461 ( -2.634 5.069 -8.049) 9.870 6.976 ( 12.115 -14.555 5.335) 19.675 7.188 ( -2.226 -5.206 5.723) 8.051 7.468 ( -13.153 7.506 20.917) 25.824 7.613 ( 8.245 -4.169 0.927) 9.286 8.427 ( -8.438 3.709 -3.840) 9.985 8.933 ( -0.597 21.248 -6.997) 22.379 9.214 ( -17.918 -1.065 0.839) 17.969 9.407 ( -2.294 -7.305 -3.563) 8.445 9.906 ( 13.145 7.045 -1.622) 15.002 10.547 ( 6.326 5.070 5.361) 9.719 11.119 ( -0.601 0.241 -1.149) 1.319 11.912 ( -7.351 9.573 -7.559) 14.242 12.334 ( 6.989 0.916 -0.585) 7.073 13.152 ( 11.657 -5.861 1.534) 13.137 13.288 ( -14.309 -11.713 -1.191) 18.529 14.298 ( 13.396 2.393 2.585) 13.852 15.717 ( -6.768 -19.004 18.610) 27.446 16.342 ( 9.864 14.190 -7.921) 19.010 17.817 ( -4.433 18.047 -7.544) 20.057 18.025 ( 0.583 5.823 6.746) 8.931 19.001 ( -7.267 6.000 -13.416) 16.396 20.702 ( -3.793 5.821 -4.383) 8.215 21.750 ( 1.314 -14.327 2.326) 14.574 ======================= Grid point 316 (171/226) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( -6.502 -2.647 -17.261) 18.634 3.651 ( 13.074 7.351 7.109) 16.598 3.856 ( 1.026 -1.975 0.555) 2.294 4.136 ( -1.677 6.387 9.520) 11.586 5.098 ( -1.595 -9.912 -7.432) 12.491 5.858 ( 4.926 -9.643 -7.337) 13.079 6.470 ( -1.222 6.366 -2.622) 6.992 6.912 ( -5.620 -11.004 13.221) 18.096 7.005 ( -8.887 -14.383 -0.647) 16.919 7.403 ( -12.147 4.678 12.301) 17.910 7.836 ( 15.937 0.885 2.970) 16.235 8.516 ( 9.341 8.791 1.742) 12.946 8.994 ( -6.106 0.249 -1.044) 6.200 9.084 ( 0.353 16.461 -4.558) 17.084 9.271 ( -3.051 -6.988 -0.795) 7.666 10.155 ( 8.961 4.584 -1.390) 10.161 10.683 ( 0.481 3.843 -1.270) 4.075 11.004 ( -4.980 -4.646 -3.318) 7.575 11.900 ( -3.202 12.906 -1.983) 13.444 12.441 ( 2.318 0.172 -1.112) 2.577 12.983 ( -7.566 -7.344 -1.533) 10.655 13.311 ( 12.518 -7.465 1.601) 14.662 14.474 ( 2.278 4.466 -2.436) 5.574 15.364 ( -18.112 -18.900 11.148) 28.452 16.742 ( 21.556 9.257 -3.275) 23.687 17.838 ( -2.913 11.393 -11.866) 16.706 18.059 ( -7.683 4.625 5.303) 10.419 18.965 ( 2.226 9.426 -4.665) 10.750 20.691 ( -2.570 7.446 -1.871) 8.096 21.659 ( 0.604 -12.442 5.633) 13.671 ======================= Grid point 317 (172/226) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 1.130 -1.869 -18.844) 18.971 3.776 ( 1.921 0.254 0.908) 2.140 3.957 ( 0.173 -11.086 2.974) 11.480 4.190 ( 5.583 8.245 -4.392) 10.883 4.995 ( -1.987 -0.966 2.833) 3.593 5.878 ( 6.358 -3.561 -2.207) 7.614 6.413 ( -9.924 1.255 1.882) 10.178 6.677 ( -13.840 -5.191 0.910) 14.810 6.890 ( 3.879 -6.134 9.883) 12.262 7.322 ( -6.127 0.888 5.137) 8.045 8.180 ( 18.636 4.903 3.933) 19.667 8.813 ( 15.787 -3.031 5.940) 17.138 8.995 ( 2.914 7.557 -3.372) 8.773 9.099 ( -7.631 3.071 1.025) 8.289 9.288 ( 5.925 5.882 -1.923) 8.568 10.254 ( -0.700 1.581 -2.923) 3.396 10.539 ( -7.274 -8.659 -9.860) 15.004 10.959 ( 1.222 2.553 -0.288) 2.845 12.023 ( 0.844 14.019 1.502) 14.124 12.348 ( -9.073 -3.218 -0.372) 9.634 12.891 ( 2.154 -1.663 -1.450) 3.084 13.443 ( 11.511 -9.733 1.013) 15.108 14.404 ( -15.460 8.292 -6.494) 18.707 14.949 ( -10.397 -22.713 6.494) 25.810 17.066 ( 5.486 2.893 -1.041) 6.289 17.811 ( -0.972 8.964 -5.760) 10.699 18.046 ( 4.401 0.654 -3.994) 5.979 19.160 ( 6.283 12.351 2.320) 14.050 20.748 ( -0.127 9.499 0.755) 9.529 21.581 ( -2.079 -9.089 7.246) 11.809 ======================= Grid point 318 (173/226) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 6.417 2.427 -9.276) 11.537 3.659 ( -5.357 -17.949 -7.168) 20.056 3.829 ( -0.112 -0.175 -1.030) 1.051 4.421 ( 13.921 2.197 -4.292) 14.732 4.998 ( -3.067 3.025 7.331) 8.503 5.852 ( -11.182 -0.162 1.301) 11.258 6.314 ( -0.411 0.438 3.793) 3.840 6.489 ( -7.196 5.423 0.805) 9.047 6.960 ( 2.677 -3.868 4.011) 6.182 7.291 ( 0.330 0.010 1.462) 1.499 8.625 ( 21.811 3.666 7.430) 23.332 9.001 ( 6.344 -9.055 -1.553) 11.165 9.061 ( -2.559 8.197 8.729) 12.245 9.150 ( 10.043 4.585 -2.330) 11.283 9.457 ( 7.163 9.133 -2.082) 11.792 10.094 ( -14.329 -0.783 -3.603) 14.796 10.290 ( -0.379 -13.991 -11.528) 18.132 11.011 ( 0.168 3.173 -0.123) 3.180 12.031 ( -9.461 -1.942 -1.640) 9.797 12.317 ( 2.430 12.803 5.667) 14.210 12.953 ( 5.510 0.991 -1.099) 5.705 13.520 ( 8.880 -10.538 -0.011) 13.781 14.068 ( -23.796 3.620 -3.568) 24.333 14.626 ( -6.708 -19.101 -1.070) 20.273 16.978 ( -10.599 -0.168 -3.085) 11.040 17.926 ( 0.625 3.451 7.901) 8.644 18.195 ( 19.742 -0.712 -12.418) 23.333 19.396 ( 3.540 11.942 3.825) 13.030 20.885 ( 3.548 10.763 1.556) 11.439 21.488 ( -5.951 -4.706 6.881) 10.243 ======================= Grid point 319 (174/226) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -4.104 3.046 0.605) 5.146 3.485 ( 9.598 -9.348 -6.576) 14.924 3.748 ( -0.492 -15.300 -1.096) 15.348 4.621 ( 12.665 -2.341 -5.841) 14.142 5.041 ( -5.357 9.351 8.398) 13.662 5.563 ( -16.915 -2.599 0.457) 17.120 6.362 ( -0.512 4.979 2.844) 5.757 6.586 ( 6.781 8.585 -2.290) 11.177 6.954 ( -2.221 3.159 2.741) 4.735 7.353 ( 4.159 1.482 0.913) 4.508 8.931 ( 2.395 -7.193 0.688) 7.613 8.993 ( 10.204 -5.669 -0.663) 11.691 9.054 ( -8.957 7.119 2.136) 11.639 9.354 ( 2.271 2.342 1.541) 3.608 9.824 ( -8.321 4.883 0.226) 9.651 9.837 ( 20.900 7.223 3.268) 22.354 10.062 ( 0.596 -16.128 -9.513) 18.734 10.970 ( -6.580 -1.755 -0.003) 6.810 11.906 ( -1.055 1.928 -0.435) 2.241 12.539 ( 2.301 12.520 4.182) 13.399 13.068 ( 5.908 1.440 -0.181) 6.084 13.551 ( 4.817 -6.979 -0.705) 8.509 13.713 ( -13.975 -0.457 0.009) 13.982 14.296 ( -9.545 -14.852 -4.693) 18.268 16.767 ( -10.175 -1.461 -2.699) 10.627 17.947 ( -0.783 -4.267 2.985) 5.266 18.503 ( 19.864 -0.360 -2.967) 20.088 19.529 ( -2.739 8.595 2.083) 9.259 21.091 ( 7.052 8.653 -0.398) 11.170 21.375 ( -8.580 2.807 4.680) 10.168 ======================= Grid point 324 (175/226) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 10.769 6.990 11.522) 17.250 3.624 ( -4.121 -3.902 8.459) 10.187 3.791 ( -9.332 -7.089 4.046) 12.398 4.345 ( 8.884 5.835 -10.432) 14.893 5.113 ( -7.193 -1.055 1.420) 7.408 5.650 ( 15.300 5.769 8.515) 18.435 6.543 ( 6.606 -5.889 -8.321) 12.147 6.889 ( -7.544 -7.575 -2.333) 10.942 7.244 ( 2.366 -7.868 -9.465) 12.533 7.505 ( -6.920 -9.533 -6.909) 13.656 8.273 ( -15.289 21.311 1.062) 26.250 8.653 ( -5.402 20.721 8.617) 23.082 9.022 ( 15.093 6.058 -4.827) 16.965 9.271 ( 10.799 -8.014 -3.996) 14.029 9.310 ( -4.480 3.302 1.983) 5.908 10.120 ( 3.798 -2.981 8.559) 9.827 10.262 ( -2.139 -7.218 -3.996) 8.523 10.871 ( -10.789 0.744 2.304) 11.058 12.191 ( -3.503 1.820 -5.593) 6.846 12.413 ( -5.636 -0.188 -4.320) 7.104 12.839 ( 1.156 0.398 0.908) 1.523 13.397 ( 10.097 3.030 3.308) 11.049 14.271 ( -10.727 -11.235 0.567) 15.544 14.944 ( 17.046 -24.538 8.625) 31.098 16.515 ( 7.516 15.440 16.923) 24.110 17.626 ( -2.518 10.236 5.129) 11.722 18.376 ( -10.892 -2.912 -12.902) 17.134 19.298 ( -3.935 8.242 -5.557) 10.691 20.875 ( -4.476 6.249 -5.464) 9.431 21.859 ( -0.259 -6.958 -6.792) 9.727 ======================= Grid point 325 (176/226) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 15.833 17.080 7.876) 24.585 3.519 ( -12.941 8.607 5.607) 16.522 3.738 ( 5.410 -14.348 13.918) 20.709 4.411 ( -2.173 6.643 -8.449) 10.965 5.031 ( 0.288 -4.226 -0.005) 4.236 6.009 ( 17.952 -3.051 3.051) 18.463 6.467 ( -7.787 -11.209 -1.171) 13.698 6.589 ( -1.360 -6.737 -16.965) 18.304 7.132 ( 1.772 -9.821 0.607) 9.998 7.399 ( 3.695 -4.320 -4.034) 6.971 8.227 ( -21.284 23.893 12.697) 34.425 8.850 ( -4.885 17.515 -1.758) 18.268 9.077 ( -9.663 5.816 -7.649) 13.627 9.316 ( 3.605 -2.459 1.664) 4.670 9.428 ( 14.957 7.899 -6.968) 18.294 9.977 ( -17.926 -8.360 -1.513) 19.837 10.229 ( 9.553 -5.727 10.734) 15.468 10.928 ( 6.895 5.202 4.974) 9.967 12.096 ( -2.698 -1.270 -6.572) 7.216 12.280 ( -5.235 -0.243 -4.461) 6.883 12.911 ( 3.354 2.797 2.033) 4.818 13.679 ( 13.657 0.414 5.359) 14.677 13.880 ( -13.868 -12.936 0.037) 18.965 15.144 ( 23.491 -18.947 5.640) 30.702 16.662 ( -10.181 3.693 9.034) 14.104 17.848 ( 4.682 18.963 10.960) 22.397 18.129 ( -8.234 3.429 -13.144) 15.884 19.250 ( -6.483 6.729 -7.177) 11.782 20.831 ( -3.745 6.518 -6.494) 9.934 21.717 ( -0.370 -12.323 -3.641) 12.855 ======================= Grid point 326 (177/226) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 17.368 12.741 3.726) 21.860 3.375 ( -15.066 7.170 -2.803) 16.919 3.814 ( 4.596 -10.758 18.733) 22.086 4.353 ( -8.134 11.778 -2.927) 14.610 5.003 ( 3.756 -9.589 -1.391) 10.391 5.932 ( -6.938 -9.532 -17.689) 21.258 6.464 ( 2.220 3.867 -5.095) 6.771 6.514 ( 16.542 -16.212 5.203) 23.739 7.117 ( 3.039 -10.093 6.760) 12.521 7.455 ( 7.092 -0.517 1.082) 7.193 8.130 ( -24.054 17.589 11.898) 32.087 8.622 ( -14.105 0.782 -4.851) 14.936 9.140 ( -3.168 21.420 -8.154) 23.137 9.314 ( 1.637 -7.295 -0.310) 7.482 9.547 ( -21.739 -6.218 2.732) 22.775 9.757 ( 12.774 12.031 -3.639) 17.921 10.454 ( 11.668 -0.762 8.850) 14.664 11.084 ( 3.564 -1.159 0.383) 3.767 12.034 ( -1.642 4.817 -6.617) 8.348 12.226 ( 2.878 0.168 -1.249) 3.142 13.004 ( 3.705 0.368 1.739) 4.109 13.439 ( -15.489 -10.210 0.776) 18.568 14.057 ( 17.420 0.193 4.120) 17.902 15.404 ( 23.515 -19.811 5.148) 31.176 16.463 ( -14.250 2.201 -2.989) 14.726 17.993 ( -4.581 5.380 -9.698) 11.998 18.212 ( 1.724 22.747 14.110) 26.823 19.108 ( -9.522 2.840 -8.405) 13.015 20.801 ( -3.416 7.794 -5.814) 10.306 21.589 ( 2.093 -13.880 1.386) 14.106 ======================= Grid point 327 (178/226) ======================= q-point: ( 0.55 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( -18.620 0.712 -13.022) 22.733 3.449 ( 17.260 4.106 -0.157) 17.742 3.844 ( -1.400 -8.117 11.800) 14.391 4.375 ( -7.226 13.843 3.233) 15.947 4.964 ( 3.523 -6.520 0.599) 7.435 5.695 ( -0.501 -2.662 -14.449) 14.701 6.431 ( 2.203 -3.741 -4.877) 6.530 6.722 ( 11.433 -9.738 7.712) 16.882 7.064 ( -2.360 -11.392 9.027) 14.725 7.643 ( 10.279 0.897 7.608) 12.820 7.905 ( -21.906 11.016 4.669) 24.961 8.528 ( -1.370 6.610 1.930) 7.021 9.122 ( -13.104 -3.389 -5.921) 14.774 9.211 ( -2.644 4.611 -1.387) 5.493 9.285 ( -3.971 1.546 1.375) 4.478 10.030 ( 9.004 7.646 -3.695) 12.377 10.661 ( 6.043 1.058 1.930) 6.431 11.027 ( -3.956 -4.611 -0.774) 6.124 12.043 ( -1.727 10.162 -3.777) 10.978 12.358 ( 8.045 1.831 1.031) 8.315 13.020 ( -2.150 -6.526 -1.201) 6.975 13.182 ( -4.466 -0.893 2.242) 5.076 14.334 ( 12.952 -1.259 0.719) 13.033 15.468 ( -1.593 -22.322 8.758) 24.032 16.373 ( 11.510 4.274 -15.374) 19.675 17.931 ( -3.566 6.578 -9.137) 11.809 18.431 ( -13.503 15.599 14.560) 25.252 18.975 ( 0.601 4.190 -5.000) 6.551 20.807 ( -2.690 9.885 -3.384) 10.789 21.538 ( 3.915 -11.920 6.717) 14.231 ======================= Grid point 328 (179/226) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -11.058 1.566 -21.597) 24.314 3.736 ( 3.314 -5.693 10.140) 12.092 3.785 ( 7.832 -4.714 -1.477) 9.260 4.292 ( -10.130 4.099 -6.786) 12.863 5.063 ( 1.408 6.523 10.553) 12.485 5.667 ( 7.729 -2.017 -10.255) 12.999 6.393 ( 0.993 -4.713 -3.106) 5.731 6.829 ( 3.682 -2.438 7.491) 8.695 6.965 ( -6.403 -2.614 11.080) 13.061 7.613 ( -18.980 2.605 5.157) 19.840 7.949 ( 13.687 0.504 7.964) 15.843 8.600 ( 4.551 -6.462 1.095) 7.979 8.944 ( 0.511 0.784 -3.302) 3.432 9.193 ( 0.607 -0.397 0.332) 0.798 9.320 ( -0.437 10.144 -0.843) 10.188 10.157 ( 4.505 -0.510 -4.739) 6.559 10.601 ( -8.675 -4.510 -7.554) 12.356 10.991 ( -0.021 4.155 3.278) 5.292 12.141 ( 1.345 11.076 0.440) 11.166 12.437 ( -2.294 0.292 0.924) 2.491 12.892 ( -3.388 0.292 -1.439) 3.692 13.224 ( 6.222 -3.577 2.115) 7.482 14.476 ( 5.966 -0.775 -5.128) 7.904 15.079 ( -20.704 -17.791 4.375) 27.647 16.662 ( 26.745 -2.946 -17.041) 31.850 17.871 ( -3.335 4.869 -8.548) 10.388 18.273 ( -18.754 3.924 11.225) 22.206 19.170 ( 8.284 12.445 2.998) 15.247 20.864 ( -1.352 10.888 -0.624) 10.989 21.554 ( 2.534 -7.676 10.569) 13.306 ======================= Grid point 329 (180/226) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 6.885 6.167 -18.996) 21.126 3.559 ( -7.320 -13.313 -2.457) 15.390 3.913 ( -3.106 -1.694 6.555) 7.448 4.201 ( 5.512 0.060 -6.814) 8.764 5.128 ( -4.489 1.323 9.009) 10.152 5.813 ( 10.832 6.456 -6.733) 14.295 6.346 ( -1.383 -0.850 -1.643) 2.309 6.844 ( -10.251 4.788 6.309) 12.954 6.970 ( -2.768 5.766 10.832) 12.580 7.369 ( -9.997 -0.742 3.740) 10.699 8.223 ( 20.639 -18.678 6.686) 28.628 8.655 ( 13.134 -6.467 0.602) 14.652 9.013 ( 6.463 1.383 -1.561) 6.792 9.262 ( 1.320 6.036 2.026) 6.502 9.443 ( 4.008 9.594 -1.694) 10.534 10.116 ( -0.581 -8.614 -5.136) 10.046 10.300 ( -14.292 -2.751 -7.274) 16.271 11.069 ( -0.409 6.942 1.371) 7.088 12.193 ( -8.327 2.563 -0.571) 8.731 12.435 ( 1.620 8.686 6.069) 10.719 12.898 ( 1.226 3.555 -0.938) 3.876 13.312 ( 7.275 -4.391 1.457) 8.621 14.451 ( -7.367 4.128 -9.377) 12.619 14.543 ( -18.572 -19.416 -0.318) 26.870 16.868 ( 13.219 -9.534 -15.680) 22.616 17.888 ( 7.601 4.472 -5.303) 10.290 18.102 ( -10.969 -0.177 10.988) 15.526 19.451 ( 6.184 12.411 3.891) 14.402 20.963 ( 0.606 10.004 0.604) 10.041 21.585 ( -1.633 -1.993 11.771) 12.049 ======================= Grid point 330 (181/226) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 16.095 9.414 -6.451) 19.730 3.254 ( -7.706 -11.780 -6.572) 15.535 3.745 ( -12.569 -10.253 5.775) 17.218 4.304 ( 12.892 -5.586 -4.488) 14.749 5.198 ( 2.507 7.255 9.023) 11.846 5.843 ( -13.892 5.459 -9.832) 17.873 6.369 ( 4.646 0.639 4.577) 6.552 6.704 ( -10.879 5.290 0.915) 12.132 7.076 ( -1.644 12.391 7.396) 14.524 7.357 ( 2.068 5.374 2.903) 6.449 8.347 ( 24.831 -36.485 0.318) 44.134 8.796 ( 5.955 -9.270 0.529) 11.030 9.288 ( 6.588 7.183 0.051) 9.747 9.337 ( 8.193 11.154 1.643) 13.937 9.627 ( 10.334 6.826 -0.767) 12.409 9.902 ( -8.501 -11.351 -2.900) 14.475 10.035 ( -10.310 0.892 -2.575) 10.664 11.080 ( -5.579 2.126 -0.346) 5.980 12.049 ( -8.865 5.588 1.723) 10.620 12.648 ( 3.601 10.767 7.988) 13.882 12.963 ( 4.191 0.209 -0.705) 4.255 13.425 ( 7.593 1.510 1.267) 7.845 13.990 ( -22.629 -11.314 -0.493) 25.304 14.287 ( -7.336 -2.822 -13.992) 16.048 16.773 ( -0.326 -11.201 -10.040) 15.045 17.968 ( -3.896 -3.754 1.487) 5.611 18.178 ( 16.138 2.515 4.463) 16.932 19.644 ( 0.796 9.018 2.799) 9.476 21.086 ( 3.141 7.362 -0.236) 8.007 21.594 ( -6.335 5.023 9.367) 12.374 ======================= Grid point 335 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 1.784 17.246 14.422) 22.552 3.464 ( 6.373 -16.298 7.233) 18.936 4.000 ( -15.270 -4.609 -3.266) 16.281 4.206 ( 12.850 7.602 -7.197) 16.575 5.205 ( -3.403 -3.657 1.196) 5.137 5.671 ( -2.386 11.351 8.892) 14.615 6.376 ( 3.034 -0.422 -5.433) 6.237 6.913 ( -4.085 -5.810 -1.661) 7.294 7.169 ( -7.327 -0.507 -9.838) 12.278 7.467 ( -7.005 -13.157 -6.947) 16.445 8.366 ( 31.029 0.302 -8.364) 32.138 8.674 ( 8.698 17.404 -1.378) 19.505 8.982 ( 0.789 2.043 1.781) 2.823 9.198 ( -2.916 8.378 7.675) 11.730 9.434 ( -4.969 6.185 0.956) 7.991 10.066 ( 2.986 -4.106 1.316) 5.245 10.184 ( -2.240 -10.213 3.758) 11.111 11.086 ( -10.523 0.699 -0.833) 10.579 12.210 ( -5.688 -6.091 -2.139) 8.604 12.550 ( -7.588 8.736 -6.395) 13.221 12.886 ( -3.589 3.284 0.072) 4.865 13.318 ( 4.377 3.669 0.725) 5.757 14.279 ( 7.652 -5.799 9.413) 13.446 14.527 ( -1.604 -28.626 1.482) 28.709 16.555 ( 15.528 11.683 16.795) 25.684 17.777 ( -0.576 8.229 6.095) 10.257 18.356 ( -4.207 -8.580 -14.773) 17.595 19.494 ( -8.431 10.720 -0.972) 13.673 20.992 ( -5.616 4.493 -2.286) 7.547 21.786 ( -2.921 -3.125 -9.645) 10.551 ======================= Grid point 336 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 6.318 17.325 7.319) 19.841 3.508 ( 10.632 -14.378 8.790) 19.926 3.784 ( -6.277 0.812 3.142) 7.066 4.424 ( 6.918 8.436 -4.385) 11.758 5.085 ( -7.562 -0.387 -1.179) 7.663 5.792 ( 5.011 -4.604 6.571) 9.460 6.414 ( 3.639 1.914 -6.271) 7.499 6.587 ( -15.864 -10.765 -9.002) 21.180 7.016 ( 0.266 -4.552 -2.817) 5.360 7.328 ( -0.313 -1.173 -2.468) 2.751 8.728 ( -0.108 20.675 -2.255) 20.798 8.986 ( 8.456 2.111 -1.952) 8.932 9.129 ( 2.572 5.364 -0.379) 5.961 9.192 ( 3.297 7.224 -2.382) 8.291 9.430 ( -4.786 11.832 0.797) 12.788 10.024 ( -0.326 -12.771 5.178) 13.785 10.113 ( 2.553 -6.771 4.323) 8.429 10.974 ( -4.049 2.846 3.810) 6.246 12.038 ( -2.856 -9.565 -2.223) 10.226 12.434 ( -10.134 8.547 -6.872) 14.932 12.931 ( 1.538 5.932 1.293) 6.263 13.494 ( 10.768 2.301 2.979) 11.407 14.009 ( -15.383 -16.218 2.276) 22.469 14.586 ( 20.571 -18.975 3.988) 28.269 16.829 ( -0.685 -1.990 10.679) 10.884 17.973 ( 4.719 9.331 9.674) 14.245 18.174 ( -1.268 6.756 -14.600) 16.138 19.442 ( -8.716 8.502 -1.595) 12.280 20.937 ( -4.939 6.811 -3.879) 9.265 21.611 ( -3.662 -9.229 -6.280) 11.749 ======================= Grid point 337 (184/226) ======================= q-point: ( 0.45 0.73 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 12.751 2.395 -0.429) 12.981 3.589 ( 0.787 -3.346 4.704) 5.826 3.821 ( -0.076 5.386 9.141) 10.610 4.555 ( -1.464 11.273 1.490) 11.465 4.936 ( -4.937 -3.799 -2.307) 6.643 5.748 ( 2.643 -15.989 -10.379) 19.245 6.301 ( -2.393 -4.878 1.417) 5.615 6.461 ( 0.504 6.768 -3.242) 7.521 7.002 ( 3.314 -7.086 3.707) 8.657 7.369 ( 4.859 3.288 0.121) 5.869 8.694 ( -21.893 6.349 1.869) 22.871 8.857 ( -13.010 2.913 -2.549) 13.574 9.134 ( 7.668 0.151 -4.006) 8.653 9.392 ( -2.695 8.001 -1.340) 8.549 9.669 ( 9.724 18.748 -4.347) 21.562 9.809 ( -11.810 -6.519 0.577) 13.502 10.266 ( 13.078 -4.822 13.002) 19.061 11.009 ( 2.954 -1.819 1.183) 3.665 11.957 ( 4.274 -4.309 0.222) 6.073 12.315 ( -8.345 8.393 -5.856) 13.205 13.014 ( 0.042 4.458 0.929) 4.554 13.610 ( -13.351 -9.536 2.974) 16.674 13.779 ( 15.475 -1.619 2.902) 15.827 14.778 ( 23.720 -19.875 -1.825) 30.999 16.687 ( -12.467 -5.804 1.621) 13.847 18.011 ( -0.406 0.332 -5.751) 5.775 18.437 ( 7.673 22.456 7.578) 24.911 19.312 ( -12.851 3.965 -2.247) 13.635 20.918 ( -3.970 10.054 -4.050) 11.543 21.438 ( -0.284 -12.337 -0.874) 12.371 ======================= Grid point 338 (185/226) ======================= q-point: (-0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 13.554 -6.115 -4.747) 15.608 3.434 ( -15.199 5.523 -8.069) 18.073 3.893 ( -2.244 -2.275 11.100) 11.551 4.632 ( -6.959 8.642 1.281) 11.169 4.887 ( 5.288 1.760 3.353) 6.505 5.570 ( 1.349 -7.467 -13.760) 15.713 6.291 ( 3.897 -6.433 2.956) 8.081 6.573 ( 4.730 5.497 2.555) 7.688 7.016 ( 3.001 -7.368 7.837) 11.168 7.542 ( 8.312 2.171 5.566) 10.236 8.321 ( -19.188 1.305 -2.917) 19.452 8.713 ( -10.842 2.634 3.451) 11.679 9.147 ( -0.301 -7.625 -0.215) 7.634 9.364 ( -10.102 4.490 -1.725) 11.188 9.470 ( -12.430 0.374 -1.396) 12.513 9.981 ( 5.584 15.222 -6.935) 17.635 10.522 ( 11.344 -2.779 5.859) 13.067 11.016 ( 1.271 -3.462 1.036) 3.831 12.098 ( 6.689 5.908 2.010) 9.148 12.275 ( 0.451 5.766 -2.115) 6.158 13.008 ( -2.823 -1.283 -0.371) 3.123 13.350 ( -11.101 0.016 1.980) 11.276 14.058 ( 15.993 -4.016 1.426) 16.551 14.988 ( 25.708 -21.243 -4.693) 33.678 16.388 ( -13.497 -2.985 -5.572) 14.904 17.976 ( -1.709 3.183 -6.847) 7.741 18.832 ( 6.174 20.550 10.606) 23.936 19.048 ( -16.903 -1.823 -1.445) 17.062 20.949 ( -3.532 12.701 -2.787) 13.474 21.376 ( 5.419 -11.354 6.137) 13.998 ======================= Grid point 339 (186/226) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -19.929 1.178 -20.425) 28.561 3.479 ( 16.559 1.401 -0.543) 16.627 3.821 ( -6.718 -7.664 7.821) 12.847 4.458 ( -11.507 -0.840 -5.046) 12.593 5.193 ( 8.677 17.328 11.198) 22.382 5.467 ( 2.041 -6.406 -10.790) 12.713 6.329 ( 2.481 -0.000 0.559) 2.543 6.719 ( 8.338 -3.447 5.070) 10.349 7.076 ( -0.149 2.976 10.939) 11.338 7.674 ( 4.630 -13.376 10.023) 17.344 8.073 ( -12.771 4.716 1.470) 13.693 8.546 ( -6.050 -7.262 -2.970) 9.908 8.999 ( -6.774 -3.853 0.318) 7.800 9.182 ( -3.927 -0.215 -0.292) 3.944 9.432 ( -2.664 8.760 -2.196) 9.415 10.100 ( 1.078 6.192 -6.780) 9.245 10.591 ( -0.038 -4.714 -4.555) 6.555 11.055 ( 1.624 2.986 5.855) 6.770 12.229 ( 0.103 9.551 3.390) 10.136 12.421 ( 6.581 2.311 0.719) 7.012 12.930 ( -2.004 -0.236 -1.515) 2.523 13.244 ( -6.231 3.837 2.858) 7.856 14.238 ( 11.975 -6.170 -5.682) 14.621 15.088 ( 7.386 -19.130 -0.728) 20.519 16.198 ( 4.530 -2.132 -14.283) 15.135 17.918 ( -3.399 2.874 -7.716) 8.908 18.706 ( -19.753 -2.493 5.445) 20.641 19.194 ( 7.325 16.738 7.169) 19.626 21.003 ( -2.704 10.971 -1.037) 11.347 21.465 ( 7.472 -5.830 12.132) 15.395 ======================= Grid point 340 (187/226) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -8.548 4.417 -23.515) 25.407 3.605 ( -8.785 -6.199 -1.606) 10.872 3.789 ( 13.284 -6.854 5.635) 15.975 4.276 ( -8.475 5.467 0.364) 10.092 5.292 ( -8.436 -2.410 2.267) 9.062 5.651 ( 15.272 17.664 -1.854) 23.424 6.358 ( -0.717 2.248 -1.384) 2.735 6.864 ( 7.797 -2.951 4.816) 9.628 7.186 ( -2.346 10.932 8.731) 14.186 7.559 ( 1.452 -23.132 6.710) 24.130 7.869 ( -13.999 -11.890 7.542) 19.855 8.454 ( 6.213 -1.931 -2.377) 6.927 8.931 ( 2.047 -1.977 0.061) 2.846 9.212 ( 5.098 2.330 -3.452) 6.583 9.493 ( 0.543 8.150 0.680) 8.196 10.074 ( -2.869 -0.550 -4.088) 5.025 10.425 ( -8.245 -3.363 -7.600) 11.707 11.159 ( 0.382 5.250 4.914) 7.201 12.351 ( -3.303 8.785 2.961) 9.842 12.477 ( 2.514 0.135 4.246) 4.936 12.960 ( 0.375 7.148 -0.742) 7.196 13.230 ( -0.321 1.175 3.764) 3.957 14.267 ( 6.013 -8.043 -14.073) 17.289 14.843 ( -16.803 -8.765 1.516) 19.012 16.306 ( 21.758 -9.290 -17.638) 29.509 17.846 ( -1.180 2.328 -6.958) 7.431 18.412 ( -16.153 -3.417 10.026) 19.317 19.504 ( 5.774 14.853 5.002) 16.703 21.059 ( -1.105 7.368 0.100) 7.451 21.631 ( 4.519 0.396 14.623) 15.311 ======================= Grid point 341 (188/226) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 14.534 -2.822 -12.292) 19.243 3.388 ( -10.994 5.663 -6.716) 14.073 3.780 ( -0.330 -27.514 7.644) 28.558 4.263 ( -8.192 15.141 2.993) 17.474 5.257 ( 2.557 7.352 5.060) 9.284 5.987 ( 1.627 15.648 -10.140) 18.717 6.345 ( 0.517 1.031 1.732) 2.081 6.905 ( -4.347 -2.080 0.568) 4.852 7.312 ( 3.411 4.247 0.450) 5.465 7.448 ( -9.643 4.465 7.303) 12.894 7.578 ( 11.059 -34.407 8.345) 37.092 8.587 ( 9.174 -7.442 3.439) 12.303 9.074 ( 16.413 4.084 -4.145) 17.414 9.272 ( 3.474 -2.513 -5.584) 7.040 9.604 ( 1.908 5.513 3.871) 7.001 9.975 ( -5.152 -1.298 0.906) 5.390 10.204 ( -9.513 0.897 -5.201) 10.879 11.190 ( -4.194 1.355 1.540) 4.669 12.284 ( -9.227 6.382 1.252) 11.289 12.673 ( 8.592 4.043 10.032) 13.814 13.007 ( -4.190 7.284 1.977) 8.633 13.328 ( 7.259 3.728 2.804) 8.629 14.081 ( -6.706 -10.420 -16.766) 20.848 14.465 ( -19.381 0.240 -2.635) 19.560 16.425 ( 15.176 -14.506 -14.023) 25.246 17.889 ( 7.240 2.988 -5.848) 9.775 18.208 ( -9.634 -5.109 12.678) 16.723 19.734 ( 2.314 11.822 2.861) 12.381 21.110 ( 0.665 4.107 -0.695) 4.218 21.782 ( -0.909 5.797 12.800) 14.081 ======================= Grid point 401 (189/226) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 0.000 -0.000 39.328) 39.328 2.178 ( 0.000 -0.000 39.328) 39.328 3.544 ( 0.000 -0.000 35.910) 35.910 5.260 ( 0.000 -0.000 6.581) 6.581 5.467 ( -0.000 0.000 -29.286) 29.286 5.467 ( -0.000 0.000 -29.286) 29.286 6.787 ( -0.000 0.000 -7.417) 7.417 7.353 ( -0.000 0.000 -1.352) 1.352 7.353 ( 0.000 0.000 -1.352) 1.352 7.951 ( -0.000 0.000 0.213) 0.213 7.951 ( 0.000 -0.000 0.213) 0.213 8.512 ( -0.000 0.000 -5.608) 5.608 8.914 ( 0.000 -0.000 8.339) 8.339 8.914 ( 0.000 -0.000 8.339) 8.339 9.558 ( 0.000 -0.000 8.897) 8.897 9.916 ( 0.000 -0.000 4.514) 4.514 9.916 ( 0.000 -0.000 4.514) 4.514 10.164 ( -0.000 0.000 -23.101) 23.101 11.803 ( -0.000 0.000 -5.667) 5.667 11.803 ( -0.000 0.000 -5.667) 5.667 13.964 ( 0.000 -0.000 2.042) 2.042 14.125 ( 0.000 -0.000 1.022) 1.022 14.125 ( 0.000 -0.000 1.022) 1.022 15.369 ( -0.000 0.000 -0.851) 0.851 15.369 ( -0.000 0.000 -0.851) 0.851 17.652 ( 0.000 -0.000 0.122) 0.122 17.863 ( 0.000 -0.000 2.406) 2.406 17.863 ( 0.000 -0.000 2.406) 2.406 20.659 ( 0.000 -0.000 3.914) 3.914 22.445 ( -0.000 0.000 -2.079) 2.079 ======================= Grid point 402 (190/226) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -14.279 14.489 35.929) 41.289 2.960 ( 21.877 8.874 35.894) 42.962 3.733 ( 5.328 -2.212 10.023) 11.565 4.782 ( -15.904 -12.360 -18.525) 27.365 5.363 ( 2.972 -2.392 16.956) 17.380 5.650 ( 9.373 5.917 -28.084) 30.193 6.670 ( -3.967 -3.062 -7.113) 8.701 7.045 ( -12.442 -17.966 3.500) 22.132 7.492 ( -2.095 15.955 -7.716) 17.846 7.837 ( -10.739 -5.437 3.536) 12.545 8.042 ( 4.140 1.554 3.634) 5.724 8.573 ( -0.752 5.836 -2.786) 6.510 8.646 ( -6.996 -11.168 2.908) 13.495 9.060 ( 1.076 7.047 0.936) 7.190 9.643 ( 13.528 -13.827 8.162) 20.995 9.930 ( -1.536 -4.037 -16.516) 17.071 10.041 ( 2.686 13.555 -0.230) 13.820 10.227 ( 10.548 11.155 3.849) 15.828 11.806 ( 8.867 -8.421 -4.947) 13.192 11.950 ( 7.091 17.563 -10.131) 21.480 13.819 ( -14.073 -3.434 1.198) 14.536 13.980 ( -7.497 -11.758 1.422) 14.017 14.171 ( 1.559 5.621 0.335) 5.842 15.483 ( 7.744 5.220 -0.021) 9.339 15.633 ( 19.190 10.811 3.927) 22.373 17.326 ( -16.552 -8.979 -1.155) 18.866 17.897 ( 0.602 4.678 1.457) 4.936 18.333 ( 29.003 9.949 -7.315) 31.523 20.657 ( -1.752 -1.475 3.173) 3.913 22.383 ( -3.774 -2.261 -2.280) 4.955 ======================= Grid point 403 (191/226) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -9.754 27.037 24.454) 37.738 3.318 ( -3.452 2.012 15.395) 15.905 3.823 ( -0.197 0.634 6.949) 6.980 4.480 ( 9.247 -9.384 -21.901) 25.558 5.440 ( -8.865 -3.938 -14.981) 17.847 5.815 ( 23.574 -0.595 27.129) 35.946 6.595 ( -18.620 -16.888 3.139) 25.333 6.620 ( 5.419 -2.882 -5.593) 8.304 7.554 ( -7.836 10.886 0.171) 13.414 7.672 ( -4.099 6.984 -0.092) 8.099 8.058 ( -8.452 3.720 0.130) 9.236 8.261 ( -11.246 -11.261 -1.188) 15.959 8.733 ( 7.243 -0.407 -2.107) 7.554 9.194 ( 6.348 1.548 -1.404) 6.683 9.703 ( 2.982 -0.634 -17.003) 17.274 9.869 ( 12.733 -16.163 5.278) 21.242 10.201 ( -4.666 22.235 -0.482) 22.724 10.548 ( 10.531 6.912 6.641) 14.240 11.853 ( 8.414 -5.339 -5.237) 11.257 12.176 ( 6.904 12.644 -8.784) 16.873 13.518 ( -19.403 2.185 -0.708) 19.538 13.710 ( -5.433 -19.375 2.594) 20.289 14.274 ( 0.963 9.594 -0.616) 9.662 15.697 ( 10.730 2.207 2.098) 11.153 16.084 ( 6.741 10.074 19.273) 22.767 17.008 ( -3.816 -5.843 -9.517) 11.802 17.997 ( 3.780 7.721 -1.200) 8.680 18.797 ( 22.300 5.481 -15.138) 27.505 20.625 ( -0.549 -2.228 1.117) 2.552 22.254 ( -5.683 -3.484 -3.313) 7.444 ======================= Grid point 404 (192/226) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -17.092 14.944 10.990) 25.224 3.393 ( 3.975 11.130 3.788) 12.410 3.818 ( -1.294 -2.494 6.523) 7.103 4.545 ( 4.631 2.652 -5.551) 7.700 5.079 ( -8.260 -10.087 -12.668) 18.178 5.962 ( -12.613 -27.729 8.809) 31.711 6.494 ( 14.827 0.304 -0.733) 14.849 6.808 ( 13.298 8.629 10.603) 19.071 7.476 ( -8.748 3.382 2.472) 9.699 7.694 ( -5.719 0.042 -1.951) 6.043 7.888 ( -10.923 12.400 -3.233) 16.838 8.120 ( 5.312 -0.006 -1.143) 5.434 8.848 ( 10.593 -5.564 -3.370) 12.431 9.228 ( 0.613 -1.820 -2.256) 2.963 9.617 ( -4.400 2.812 -14.875) 15.765 9.968 ( 11.418 -13.599 5.072) 18.467 10.359 ( -0.582 17.690 1.518) 17.765 10.767 ( 2.492 6.758 6.076) 9.423 11.924 ( 8.372 -2.327 -6.883) 11.085 12.328 ( 4.947 5.109 -2.996) 7.717 13.200 ( -18.956 3.042 -1.130) 19.232 13.479 ( -2.154 -16.371 2.136) 16.650 14.372 ( -0.307 9.139 -0.755) 9.175 15.830 ( -8.417 6.260 3.356) 11.013 16.162 ( -2.759 -14.034 24.502) 28.370 17.122 ( 18.521 6.413 -5.491) 20.354 18.166 ( 6.359 12.291 -5.007) 14.716 19.020 ( 11.344 1.027 -14.828) 18.697 20.632 ( 3.963 -1.222 -1.721) 4.490 22.085 ( -6.318 -3.989 -4.943) 8.959 ======================= Grid point 405 (193/226) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -18.311 7.407 11.680) 22.947 3.650 ( 8.189 4.127 5.124) 10.504 3.870 ( 4.364 5.222 -0.212) 6.809 4.379 ( -17.319 -2.354 -3.680) 17.861 5.034 ( 10.605 1.684 -3.551) 11.310 5.581 ( -5.860 -20.301 7.973) 22.584 6.546 ( 0.137 -4.366 -8.020) 9.132 7.045 ( -5.835 4.778 0.717) 7.575 7.318 ( -6.594 -3.489 -5.471) 9.252 7.637 ( -1.570 11.083 -1.232) 11.262 7.939 ( 11.585 -2.170 -2.686) 12.089 8.430 ( 16.097 14.539 7.251) 22.871 8.876 ( 0.836 -8.183 -5.518) 9.905 9.211 ( 2.743 -3.199 -1.514) 4.478 9.426 ( -10.278 0.744 -7.393) 12.683 10.042 ( 7.199 -10.158 4.702) 13.308 10.481 ( -5.451 9.892 4.940) 12.327 10.897 ( 2.370 9.520 1.524) 9.928 12.020 ( 9.477 0.257 -6.642) 11.575 12.415 ( 2.875 0.933 -0.254) 3.033 12.952 ( -11.705 2.473 0.136) 11.965 13.333 ( -0.758 -9.750 0.408) 9.787 14.425 ( -1.419 3.797 0.555) 4.091 15.522 ( -30.134 5.737 4.817) 31.051 16.239 ( 13.235 -22.212 18.647) 31.879 17.484 ( 12.566 7.077 4.725) 15.176 18.379 ( 5.093 16.513 -9.111) 19.535 19.091 ( 8.139 -1.174 -9.364) 12.462 20.720 ( 7.713 1.387 -3.203) 8.466 21.908 ( -5.128 -3.915 -7.147) 9.628 ======================= Grid point 406 (194/226) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -8.403 8.390 19.978) 23.241 3.729 ( -1.043 -5.659 4.774) 7.477 3.933 ( -1.133 -4.856 -11.404) 12.446 4.168 ( -4.719 10.803 5.158) 12.868 5.244 ( 10.157 7.323 -6.897) 14.296 5.466 ( 2.887 -12.449 10.931) 16.817 6.398 ( -5.148 -2.897 -3.870) 7.062 6.940 ( -1.688 -3.382 -4.159) 5.621 7.157 ( -3.743 2.397 -9.499) 10.487 7.711 ( -6.227 15.711 -5.395) 17.740 8.109 ( 12.514 -8.242 -9.023) 17.491 8.615 ( -14.163 -11.353 -0.476) 18.158 8.873 ( 12.816 6.023 4.124) 14.750 9.169 ( -3.807 -2.425 1.182) 4.667 9.337 ( 4.595 1.079 -0.248) 4.726 10.071 ( 2.092 -5.325 4.227) 7.114 10.457 ( -9.144 6.550 7.671) 13.614 11.050 ( 5.215 7.250 -3.500) 9.592 12.182 ( 9.914 3.484 -3.823) 11.182 12.456 ( 1.483 1.805 -1.279) 2.663 12.867 ( -1.208 2.417 1.284) 2.992 13.256 ( 0.196 -4.395 -1.529) 4.657 14.386 ( -4.003 -6.229 4.982) 8.924 15.107 ( -26.567 9.177 1.496) 28.147 16.325 ( 9.797 -24.380 18.518) 32.144 17.722 ( 4.686 4.376 7.252) 9.680 18.487 ( -4.833 15.678 -11.540) 20.058 19.240 ( 14.780 0.293 -4.203) 15.369 20.878 ( 8.758 4.557 -2.048) 10.083 21.750 ( -2.226 -4.018 -10.468) 11.432 ======================= Grid point 413 (195/226) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 17.936 -2.764 36.247) 40.536 3.178 ( -3.382 24.522 34.973) 42.847 3.725 ( -4.045 -6.535 1.412) 7.814 4.635 ( -4.071 -22.557 -28.987) 36.954 5.343 ( 0.195 4.165 11.304) 12.049 5.618 ( -2.615 11.400 -5.958) 13.126 6.633 ( 0.439 -5.717 -5.568) 7.993 7.116 ( -10.864 -14.151 -0.100) 17.840 7.473 ( 14.679 11.637 -7.115) 20.037 8.010 ( 2.945 0.003 4.442) 5.329 8.044 ( -2.337 6.832 1.812) 7.444 8.368 ( 0.412 -7.739 -3.092) 8.344 8.763 ( -9.657 -20.181 -1.666) 22.435 8.910 ( 13.094 -4.259 4.489) 14.483 9.624 ( -11.578 -2.944 -1.989) 12.111 9.836 ( -8.012 -1.409 -7.105) 10.800 10.034 ( 12.043 12.653 3.257) 17.769 10.399 ( 1.848 26.848 -0.634) 26.919 11.672 ( -4.456 -2.748 -4.008) 6.593 11.977 ( 4.379 17.135 -8.150) 19.473 13.825 ( -0.556 -14.815 1.074) 14.864 14.025 ( 4.831 -10.830 0.740) 11.882 14.132 ( -2.874 2.751 0.531) 4.013 15.434 ( 0.542 8.020 0.913) 8.090 15.677 ( -0.237 22.729 3.201) 22.955 17.436 ( 0.384 -7.007 -4.529) 8.352 17.909 ( 5.078 1.347 1.383) 5.432 18.218 ( -6.748 20.394 -2.909) 21.678 20.675 ( -0.356 -2.667 2.936) 3.982 22.355 ( -0.068 -6.671 -1.637) 6.869 ======================= Grid point 414 (196/226) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 2.095 20.226 23.731) 31.252 3.501 ( -9.945 -2.582 1.294) 10.356 3.764 ( 22.293 9.959 24.446) 34.551 4.100 ( -7.913 -20.102 -26.348) 34.073 5.448 ( -3.087 4.263 -27.533) 28.032 5.681 ( 5.273 -0.820 32.662) 33.095 6.577 ( 0.553 0.512 2.306) 2.426 6.764 ( -14.066 -16.139 2.357) 21.538 7.691 ( -11.123 -2.145 -3.784) 11.943 7.759 ( 4.479 9.346 -1.749) 10.511 8.242 ( -1.535 11.779 2.374) 12.113 8.323 ( -12.147 -19.577 -5.257) 23.631 8.486 ( 13.414 -7.776 -4.387) 16.113 9.107 ( 10.868 -3.214 3.284) 11.799 9.501 ( 2.604 -5.213 1.571) 6.035 9.673 ( -3.884 3.721 -11.765) 12.937 10.437 ( 11.598 15.885 6.536) 20.726 10.583 ( -4.607 18.140 -2.357) 18.864 11.644 ( 5.326 -3.760 -1.974) 6.812 12.174 ( 4.294 15.660 -9.052) 18.591 13.576 ( -4.748 -18.172 0.413) 18.786 13.938 ( -19.194 4.809 -0.757) 19.802 14.155 ( 13.164 -7.303 0.645) 15.068 15.590 ( 6.606 4.183 3.208) 8.452 16.091 ( 14.581 21.876 10.643) 28.362 17.181 ( -17.610 1.464 -10.271) 20.438 18.003 ( 3.671 4.433 -1.428) 5.930 18.466 ( 14.412 11.646 -5.688) 19.383 20.634 ( -2.000 -3.622 1.973) 4.584 22.243 ( -2.472 -8.846 -1.618) 9.327 ======================= Grid point 415 (197/226) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -18.769 15.634 5.279) 24.991 3.433 ( 2.545 1.549 1.171) 3.202 3.768 ( 2.623 -5.164 -13.952) 15.107 4.380 ( 19.331 7.904 19.355) 28.474 5.100 ( -14.786 -6.433 -19.398) 25.225 5.900 ( 0.160 -15.283 13.424) 20.342 6.397 ( -6.769 -6.102 -1.645) 9.261 6.780 ( 9.875 7.823 19.463) 23.185 7.482 ( -0.316 -10.839 -0.994) 10.889 7.790 ( -11.305 -13.331 -3.785) 17.884 8.110 ( 4.443 16.495 -7.813) 18.785 8.253 ( -14.200 11.945 1.597) 18.625 8.535 ( 12.355 -9.081 -7.050) 16.876 9.248 ( 0.981 4.624 1.781) 5.052 9.561 ( 7.734 -5.905 -0.961) 9.778 9.657 ( 5.632 1.395 -8.109) 9.971 10.593 ( -6.683 15.118 -1.836) 16.631 10.811 ( 8.141 8.597 7.359) 13.940 11.718 ( 7.976 -2.450 -2.600) 8.740 12.298 ( 2.035 7.230 -5.476) 9.295 13.350 ( -1.765 -16.523 0.196) 16.618 13.611 ( -22.693 7.498 -2.222) 24.003 14.301 ( 10.379 -5.999 -0.225) 11.990 15.765 ( 9.620 -4.581 8.123) 13.399 16.478 ( -11.299 0.977 20.340) 23.288 16.960 ( 4.458 20.457 -15.222) 25.886 18.145 ( 7.129 9.279 -4.409) 12.505 18.756 ( 12.671 6.141 -8.718) 16.561 20.586 ( -0.292 -2.147 0.906) 2.348 22.081 ( -4.119 -9.521 -2.713) 10.723 ======================= Grid point 416 (198/226) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -20.234 16.855 5.548) 26.913 3.433 ( 9.119 -14.805 -4.091) 17.863 3.919 ( 4.317 18.456 -1.620) 19.023 4.657 ( -15.648 -6.352 -12.308) 20.897 4.803 ( 12.653 4.425 9.337) 16.336 5.584 ( -12.341 -19.583 10.125) 25.265 6.409 ( 5.979 -0.597 -4.900) 7.753 7.115 ( 1.439 -2.834 7.980) 8.590 7.312 ( -2.464 -10.829 -4.564) 12.007 7.591 ( 8.623 -6.525 2.185) 11.032 7.999 ( -15.998 7.315 -3.078) 17.858 8.421 ( 7.071 20.680 -7.245) 23.025 8.717 ( 13.483 2.517 0.572) 13.728 9.243 ( -6.814 4.556 0.974) 8.255 9.540 ( -6.056 4.288 -9.875) 12.352 9.776 ( 13.611 -10.524 4.489) 17.781 10.638 ( -1.275 7.920 -0.620) 8.046 10.989 ( 0.172 5.991 5.240) 7.961 11.835 ( 8.703 1.154 -2.943) 9.259 12.339 ( 2.970 -2.063 -1.444) 3.894 13.166 ( -5.677 -9.283 0.643) 10.900 13.340 ( -13.410 6.676 -3.363) 15.352 14.374 ( 5.779 -7.184 -0.921) 9.266 15.882 ( 8.485 -28.517 15.827) 33.701 16.138 ( -26.263 13.881 0.031) 29.705 17.390 ( 14.979 16.048 6.036) 22.767 18.378 ( 9.753 15.373 -7.866) 19.833 18.909 ( 6.206 2.651 -7.477) 10.072 20.619 ( 4.405 1.577 0.252) 4.685 21.885 ( -4.739 -9.491 -4.798) 11.643 ======================= Grid point 417 (199/226) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -18.551 19.241 14.288) 30.307 3.446 ( 11.415 -16.761 0.059) 20.279 4.019 ( -6.964 4.769 -8.632) 12.073 4.421 ( -5.728 8.657 0.698) 10.404 5.008 ( 9.474 -1.839 -4.665) 10.719 5.435 ( 0.938 -4.768 13.150) 14.020 6.411 ( -2.038 -3.212 -2.480) 4.541 6.865 ( -3.440 -14.186 -7.237) 16.293 7.208 ( -6.494 -3.257 -6.108) 9.491 7.760 ( 12.571 -8.054 -4.999) 15.744 7.942 ( -3.825 17.696 0.766) 18.121 8.620 ( 3.714 5.251 -7.812) 10.119 8.974 ( -1.525 13.758 7.753) 15.865 9.192 ( 0.023 3.736 0.811) 3.823 9.364 ( -8.887 0.827 -5.008) 10.234 9.939 ( 10.593 -5.698 5.879) 13.388 10.649 ( -3.414 0.573 2.614) 4.338 11.037 ( -0.204 3.476 -1.758) 3.901 12.021 ( 10.233 5.289 -1.353) 11.598 12.367 ( 5.891 -5.762 -0.065) 8.241 12.996 ( -8.066 -0.145 1.302) 8.172 13.237 ( -3.039 3.376 -3.489) 5.727 14.342 ( 1.360 -10.805 0.113) 10.890 15.518 ( -17.184 -20.579 4.704) 27.220 16.125 ( 0.854 1.481 10.435) 10.574 17.747 ( 6.523 8.284 9.565) 14.236 18.653 ( 3.651 21.436 -9.239) 23.626 18.977 ( 8.362 -1.556 -4.767) 9.750 20.772 ( 8.470 5.732 0.464) 10.238 21.675 ( -4.044 -9.549 -7.952) 13.068 ======================= Grid point 424 (200/226) ======================= q-point: ( 0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 8.792 -3.761 35.137) 36.415 3.406 ( 5.713 -6.256 7.879) 11.570 3.855 ( -4.034 3.246 15.197) 16.055 4.364 ( -5.366 -6.271 -24.625) 25.971 5.400 ( 1.437 6.444 -19.740) 20.815 5.956 ( -13.777 15.270 29.091) 35.626 6.516 ( 0.051 -3.614 -6.635) 7.556 7.085 ( 9.422 -10.127 -9.303) 16.669 7.233 ( 7.185 1.614 7.922) 10.817 7.770 ( 13.593 -7.833 5.406) 16.594 8.064 ( 6.252 -7.091 1.635) 9.594 8.389 ( 3.263 -2.993 -4.412) 6.251 8.579 ( -10.198 -9.103 -1.578) 13.760 9.049 ( -16.134 6.692 -3.709) 17.856 9.652 ( 1.155 0.786 -16.657) 16.715 9.838 ( -1.872 -8.182 -0.191) 8.396 10.169 ( -3.289 11.888 11.388) 16.788 10.618 ( 1.296 22.514 0.975) 22.573 11.774 ( -9.710 -0.745 -6.964) 11.972 12.057 ( -1.100 14.130 -4.520) 14.876 13.544 ( 13.050 -14.527 1.043) 19.556 13.954 ( -11.321 -16.465 -1.032) 20.008 14.091 ( 12.826 5.977 2.290) 14.334 15.662 ( -10.086 13.479 0.553) 16.844 15.997 ( -9.308 10.441 12.694) 18.889 17.209 ( 13.004 3.535 -7.755) 15.548 17.903 ( -1.583 0.655 0.829) 1.903 18.609 ( -15.704 17.283 -10.817) 25.736 20.657 ( 0.919 -1.792 1.223) 2.356 22.247 ( 2.370 -8.679 -1.678) 9.152 ======================= Grid point 425 (201/226) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 24.475 7.672 24.709) 35.615 3.406 ( 2.664 -9.907 -4.398) 11.162 3.922 ( -16.325 -5.972 -18.556) 25.426 4.022 ( 2.656 5.051 22.241) 22.962 5.360 ( -0.522 6.711 -25.361) 26.239 5.985 ( -13.040 7.860 21.485) 26.333 6.538 ( 7.297 -3.595 5.511) 9.826 6.773 ( -9.617 -14.991 0.455) 17.816 7.662 ( 16.090 9.191 -2.616) 18.714 7.841 ( -7.470 -18.185 1.887) 19.749 8.126 ( 12.651 -9.002 -1.781) 15.628 8.208 ( -7.919 -13.290 -4.820) 16.204 8.410 ( -0.060 11.642 -1.384) 11.724 8.930 ( 0.410 0.802 2.650) 2.798 9.492 ( -4.096 -0.803 -8.734) 9.681 9.856 ( -5.004 5.512 1.723) 7.642 10.356 ( 9.903 11.659 3.284) 15.646 10.838 ( -2.672 17.965 -3.506) 18.498 11.618 ( -4.315 0.947 -0.978) 4.524 12.205 ( 3.950 14.036 -6.538) 15.980 13.503 ( -6.817 -16.709 -0.070) 18.047 13.766 ( 15.116 -14.553 0.744) 20.996 14.236 ( -5.550 6.430 -0.032) 8.494 15.645 ( -5.434 7.447 4.392) 10.212 16.198 ( 6.888 17.219 12.978) 22.636 17.304 ( -0.230 7.933 -17.686) 19.385 17.944 ( 2.710 1.236 0.508) 3.022 18.524 ( -5.378 15.306 -4.560) 16.852 20.635 ( -1.059 -3.212 1.003) 3.528 22.158 ( -0.129 -11.420 0.056) 11.421 ======================= Grid point 426 (202/226) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 6.874 -13.913 -12.415) 19.873 3.430 ( -11.797 4.661 -3.363) 13.123 3.601 ( 10.791 11.392 -0.870) 15.716 4.355 ( 8.937 2.903 24.896) 26.610 5.149 ( -8.424 -1.164 -22.314) 23.880 5.989 ( -7.980 4.818 14.561) 17.289 6.424 ( -7.081 -19.056 0.927) 20.350 6.795 ( 8.800 5.681 14.845) 18.169 7.433 ( -12.629 -16.421 -1.339) 20.759 7.720 ( -4.417 -22.073 -0.732) 22.523 8.139 ( 11.680 14.449 -3.796) 18.963 8.206 ( 7.048 0.596 -13.321) 15.082 8.582 ( -5.586 13.620 4.047) 15.267 9.067 ( 14.680 -5.282 4.831) 16.332 9.425 ( 1.634 -2.935 -1.750) 3.788 9.813 ( -10.441 16.414 -3.574) 19.779 10.681 ( 12.206 4.110 -0.811) 12.905 10.850 ( -5.560 10.722 -2.667) 12.369 11.626 ( 1.982 2.530 2.122) 3.851 12.330 ( 0.256 8.633 -5.494) 10.236 13.229 ( -3.616 -15.233 -0.927) 15.683 13.939 ( 17.395 -13.186 0.640) 21.838 14.065 ( -19.671 8.594 -2.863) 21.656 15.653 ( 0.919 -7.576 8.693) 11.568 16.646 ( 10.603 12.817 18.460) 24.849 17.177 ( -11.992 20.766 -23.317) 33.447 18.022 ( 7.661 1.850 -4.851) 9.255 18.666 ( 5.390 12.186 -0.669) 13.341 20.590 ( -1.261 -1.887 1.292) 2.611 22.021 ( -2.441 -12.009 0.592) 12.269 ======================= Grid point 427 (203/226) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 10.013 -16.530 -14.019) 23.875 3.273 ( -11.357 16.805 -1.860) 20.368 3.998 ( 9.399 17.641 2.848) 20.190 4.475 ( 0.762 -13.929 -7.618) 15.894 4.957 ( -3.947 2.860 4.072) 6.351 5.803 ( -20.903 -7.451 16.053) 27.388 6.297 ( 4.801 -1.774 -0.441) 5.137 7.071 ( -0.426 -20.925 -12.176) 24.214 7.115 ( 6.267 -0.498 14.131) 15.466 7.459 ( -1.953 -13.130 3.691) 13.778 8.250 ( 0.774 8.996 -13.013) 15.838 8.508 ( 3.937 10.663 3.189) 11.805 8.585 ( 1.604 19.720 -0.958) 19.808 9.331 ( 12.955 -1.803 4.185) 13.733 9.424 ( 5.052 -8.131 3.477) 10.185 9.768 ( -11.505 16.690 -7.365) 21.567 10.690 ( -2.290 0.696 -8.282) 8.621 10.998 ( 6.906 1.661 4.165) 8.234 11.744 ( 5.008 5.751 3.055) 8.215 12.307 ( -3.370 -1.273 -2.743) 4.528 13.080 ( 0.809 -9.077 -1.624) 9.256 13.755 ( -22.747 9.867 -3.566) 25.050 14.080 ( 13.981 -13.924 -1.171) 19.767 15.598 ( 2.713 -23.914 11.036) 26.477 16.677 ( -20.457 11.394 -2.493) 23.548 17.379 ( 11.814 22.252 4.441) 25.582 18.201 ( 14.365 5.254 -11.154) 18.931 18.874 ( 4.337 10.854 0.568) 11.702 20.597 ( 1.446 1.985 2.340) 3.392 21.843 ( -4.703 -11.520 -0.383) 12.449 ======================= Grid point 428 (204/226) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 9.672 -14.749 -2.898) 17.874 3.307 ( -8.797 21.154 4.363) 23.322 4.090 ( -7.287 -6.053 -10.192) 13.915 4.406 ( 11.159 9.310 -9.246) 17.224 4.945 ( -3.327 -4.055 4.452) 6.880 5.579 ( -10.556 0.291 19.366) 22.058 6.388 ( 3.014 0.904 0.803) 3.247 6.686 ( -4.352 -22.428 -10.169) 25.007 7.199 ( -1.249 -7.506 -1.433) 7.743 7.461 ( 9.733 -6.855 0.470) 11.914 8.264 ( -9.064 20.467 -0.741) 22.397 8.610 ( 2.604 12.491 -5.100) 13.741 8.996 ( 14.536 13.104 5.745) 20.397 9.322 ( -5.472 -0.262 -0.166) 5.481 9.611 ( -10.688 11.413 -2.487) 15.833 9.674 ( 12.504 -4.399 3.442) 13.695 10.611 ( 1.373 -5.671 -7.911) 9.830 11.072 ( -0.178 -1.805 1.796) 2.553 11.941 ( 6.858 7.763 2.983) 10.780 12.218 ( 1.178 -6.894 -0.289) 7.000 13.031 ( 0.721 -3.047 -1.119) 3.325 13.476 ( -17.233 9.446 -3.155) 19.903 14.120 ( 8.433 -14.773 -2.521) 17.197 15.369 ( -2.399 -34.279 8.279) 35.347 16.460 ( -16.860 15.834 -1.129) 23.157 17.779 ( 7.545 10.451 11.240) 17.102 18.483 ( 19.709 7.901 -14.505) 25.715 19.016 ( -2.096 11.465 2.126) 11.848 20.718 ( 5.827 6.154 3.209) 9.062 21.626 ( -6.375 -10.774 -2.711) 12.809 ======================= Grid point 435 (205/226) ======================= q-point: ( 0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 2.343 -2.280 25.329) 25.539 3.264 ( -0.282 -4.242 -1.614) 4.548 3.931 ( 2.570 0.399 10.203) 10.529 4.389 ( -8.786 -4.210 -6.129) 11.510 5.210 ( 10.769 1.945 -13.404) 17.304 6.420 ( -0.875 1.359 -8.054) 8.214 6.616 ( 9.733 -4.505 -11.577) 15.781 6.619 ( -0.910 12.291 22.517) 25.669 7.323 ( -9.637 -9.290 10.671) 17.119 7.575 ( 0.470 -5.968 7.234) 9.390 7.798 ( 8.908 -13.600 -3.076) 16.546 8.287 ( 6.633 12.247 -4.957) 14.784 8.780 ( -15.081 0.524 -3.935) 15.594 9.310 ( -0.001 7.467 -0.138) 7.468 9.479 ( 3.286 2.633 -16.815) 17.334 9.879 ( -15.183 -10.323 -3.503) 18.691 10.342 ( 2.562 6.915 12.929) 14.884 10.789 ( 1.422 11.832 3.472) 12.412 11.863 ( -5.718 3.394 -9.629) 11.702 12.227 ( -6.691 6.227 -0.016) 9.141 13.194 ( 11.087 -12.894 0.473) 17.012 13.872 ( 17.845 5.414 3.625) 18.997 14.040 ( -14.603 -14.585 -1.088) 20.668 15.844 ( 5.470 2.581 -0.148) 6.050 16.309 ( -11.916 -3.225 22.493) 25.658 17.156 ( 0.054 23.239 -8.105) 24.612 17.964 ( -5.499 0.107 -2.520) 6.049 18.896 ( -9.674 11.109 -13.278) 19.832 20.644 ( -0.195 1.574 -1.678) 2.309 22.086 ( 4.056 -9.228 -2.842) 10.472 ======================= Grid point 436 (206/226) ======================= q-point: ( 0.45 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 11.884 8.809 24.034) 28.222 3.236 ( 4.711 -4.319 -4.794) 7.990 3.948 ( -7.985 1.438 -13.238) 15.526 4.202 ( -2.354 -6.587 21.204) 22.328 5.267 ( 2.349 2.973 -18.719) 19.099 6.290 ( -3.070 1.898 -10.875) 11.458 6.374 ( -3.912 -17.448 1.630) 17.955 6.978 ( -8.060 11.710 14.021) 19.967 7.351 ( 17.095 -6.859 5.333) 19.176 7.664 ( 7.309 -6.443 10.264) 14.152 7.799 ( 8.710 -15.145 -0.843) 17.492 8.387 ( -18.851 -4.219 -5.530) 20.093 8.481 ( 3.517 16.881 -6.011) 18.261 9.177 ( -18.442 5.457 2.589) 19.406 9.489 ( -2.844 -2.232 -8.602) 9.331 9.781 ( 13.524 2.834 -1.186) 13.869 10.455 ( -1.894 6.812 6.139) 9.364 10.987 ( 1.225 12.928 -1.260) 13.046 11.734 ( -6.545 4.071 -4.819) 9.090 12.243 ( 1.107 7.898 -1.796) 8.175 13.314 ( 14.057 -9.849 1.585) 17.237 13.585 ( -13.945 -17.707 -0.795) 22.553 14.240 ( 11.368 5.179 2.687) 12.778 15.960 ( -11.389 14.131 -0.728) 18.164 16.213 ( 6.715 -9.873 17.666) 21.323 17.312 ( -1.221 21.965 -16.142) 27.285 17.960 ( 0.737 3.655 3.484) 5.102 18.761 ( -9.540 10.909 -8.933) 17.024 20.630 ( -0.923 -0.233 -1.396) 1.689 22.024 ( 2.263 -12.078 0.374) 12.294 ======================= Grid point 437 (207/226) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -0.879 -9.890 -10.913) 14.754 3.503 ( 17.416 10.787 12.100) 23.792 3.670 ( -13.529 6.945 -11.871) 19.292 4.356 ( 5.855 -7.186 23.473) 25.237 5.116 ( -4.834 -0.127 -20.960) 21.510 6.171 ( 5.298 -22.503 -2.457) 23.248 6.289 ( -2.489 8.851 1.787) 9.366 6.966 ( -12.565 8.995 13.585) 20.575 7.396 ( -0.555 -20.985 -2.157) 21.103 7.639 ( -6.983 -17.107 10.961) 21.484 7.874 ( 13.000 -4.262 0.764) 13.702 8.220 ( 2.070 17.503 -10.203) 20.365 8.718 ( 6.732 14.863 -0.882) 16.340 9.000 ( -7.028 1.590 5.917) 9.323 9.383 ( -2.052 -3.555 -2.585) 4.851 10.022 ( 5.108 7.732 0.382) 9.275 10.550 ( 3.556 7.717 -2.508) 8.860 10.999 ( -6.018 3.990 -5.507) 9.081 11.701 ( -2.334 6.640 2.262) 7.393 12.360 ( 3.049 7.295 -3.126) 8.502 13.190 ( -9.819 -13.747 -0.531) 16.902 13.507 ( 16.782 -11.642 0.585) 20.433 14.360 ( -4.963 5.919 -0.566) 7.746 15.736 ( -14.449 -8.098 8.471) 18.604 16.570 ( 21.115 5.795 5.711) 22.628 17.377 ( -3.842 23.582 -20.424) 31.433 18.000 ( -3.733 3.556 2.727) 5.832 18.745 ( -0.236 10.899 -0.633) 10.920 20.605 ( -1.023 0.597 -0.119) 1.190 21.934 ( 0.043 -12.181 3.079) 12.565 ======================= Grid point 438 (208/226) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 4.121 -11.708 -17.605) 21.541 3.546 ( -6.917 15.057 -6.946) 17.967 3.949 ( 14.675 9.673 5.408) 18.390 4.356 ( -4.787 -16.070 3.037) 17.041 4.992 ( 0.146 1.416 -3.138) 3.446 6.063 ( 3.895 -16.206 0.325) 16.671 6.322 ( -10.476 10.255 11.562) 18.670 6.851 ( -6.452 -9.884 -5.258) 12.921 7.141 ( -4.183 -11.305 9.349) 15.254 7.428 ( -5.271 -9.735 6.064) 12.623 8.086 ( 13.634 3.939 -3.668) 14.658 8.515 ( 9.967 23.786 -8.461) 27.142 8.916 ( -5.379 13.046 4.190) 14.721 9.029 ( 10.074 -5.099 7.373) 13.485 9.335 ( 2.592 -5.268 0.709) 5.914 10.096 ( -7.411 12.635 -2.000) 14.785 10.609 ( 1.274 -3.765 -10.071) 10.827 10.921 ( 1.506 1.062 -2.828) 3.376 11.802 ( 1.380 9.484 5.985) 11.299 12.377 ( -5.091 0.943 -2.047) 5.568 12.975 ( -0.902 -8.223 -1.722) 8.449 13.670 ( 15.556 -12.795 -0.594) 20.151 14.203 ( -18.764 8.578 -3.544) 20.934 15.458 ( -6.569 -21.714 7.791) 23.987 16.923 ( 4.931 7.767 -6.490) 11.259 17.474 ( 3.195 22.247 -4.887) 23.001 18.000 ( 2.333 1.809 -2.099) 3.622 18.927 ( 5.127 11.995 3.494) 13.504 20.625 ( 0.477 3.780 2.308) 4.454 21.815 ( -3.330 -10.677 4.123) 11.919 ======================= Grid point 439 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 14.130 -8.331 -10.261) 19.349 3.611 ( -2.650 17.143 -3.956) 17.792 3.991 ( -6.438 -18.465 -12.235) 23.067 4.301 ( 10.068 9.023 2.732) 13.793 4.995 ( -2.585 -1.036 3.425) 4.415 5.943 ( -10.672 -3.568 11.231) 15.899 6.331 ( -0.184 1.431 7.063) 7.209 6.543 ( -7.591 -12.918 -7.458) 16.736 7.111 ( 1.469 -7.963 3.687) 8.898 7.339 ( -0.196 -4.251 2.925) 5.164 8.407 ( 13.338 17.387 -5.104) 22.500 8.816 ( -2.680 15.127 2.599) 15.581 8.940 ( 2.057 12.135 3.157) 12.706 9.294 ( 17.549 -8.155 6.577) 20.438 9.346 ( 3.731 -0.530 -0.677) 3.829 9.999 ( -14.676 10.173 -2.949) 18.099 10.450 ( -0.460 -10.162 -12.775) 16.331 10.992 ( 5.612 -1.942 -1.581) 6.145 11.979 ( 1.752 8.707 5.463) 10.427 12.229 ( -6.619 -2.149 1.273) 7.074 12.950 ( 3.888 -2.077 -2.046) 4.860 13.763 ( 10.828 -13.576 -3.145) 17.648 13.904 ( -20.936 8.087 -2.932) 22.635 15.150 ( -4.665 -28.966 4.288) 29.651 16.842 ( -12.831 10.257 -8.599) 18.541 17.839 ( 8.613 12.521 12.611) 19.748 18.106 ( 15.154 1.116 -13.071) 20.043 19.154 ( 3.187 13.173 3.640) 14.033 20.730 ( 3.137 6.772 4.413) 8.670 21.653 ( -7.225 -8.422 3.284) 11.572 ======================= Grid point 446 (210/226) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 10.550 -0.892 14.968) 18.334 3.427 ( -15.555 2.899 4.900) 16.565 3.971 ( 2.711 4.025 7.795) 9.182 4.355 ( 2.311 -10.261 -4.438) 11.416 5.036 ( 3.168 3.509 -4.580) 6.582 6.042 ( 23.491 -0.349 2.938) 23.677 6.562 ( -1.787 2.271 -13.102) 13.417 6.774 ( -8.726 -17.003 1.119) 19.144 7.292 ( 2.757 -8.608 -5.167) 10.411 7.507 ( 5.457 -9.462 -3.862) 11.586 7.917 ( -14.373 13.447 14.210) 24.276 8.411 ( -4.699 21.291 2.163) 21.911 8.995 ( -6.441 5.951 -4.204) 9.725 9.219 ( 5.131 3.465 -9.340) 11.206 9.376 ( 4.548 -2.431 -5.812) 7.770 10.085 ( -14.153 -2.744 -1.493) 14.494 10.393 ( 3.055 -2.316 12.717) 13.283 10.849 ( 2.150 4.108 4.925) 6.764 11.948 ( -5.991 6.091 -9.364) 12.676 12.354 ( -4.342 -2.081 0.595) 4.851 12.946 ( 6.360 -6.381 1.276) 9.099 13.636 ( 17.417 5.769 3.042) 18.598 14.164 ( -15.692 -13.578 0.629) 20.761 15.533 ( 17.124 -17.769 0.484) 24.682 16.630 ( -5.080 8.908 19.682) 22.193 17.459 ( -6.768 21.188 1.047) 22.267 18.058 ( -9.394 -1.421 -7.823) 12.308 19.042 ( -5.770 8.730 -9.130) 13.887 20.684 ( -2.956 4.604 -4.041) 6.802 21.899 ( 4.251 -8.563 -4.903) 10.745 ======================= Grid point 447 (211/226) ======================= q-point: ( 0.45 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 16.558 10.166 16.754) 25.656 3.248 ( -12.671 3.516 0.045) 13.150 4.083 ( -3.561 9.922 0.455) 10.552 4.219 ( -1.202 -14.107 9.994) 17.330 5.108 ( 6.071 -1.401 -8.344) 10.414 6.118 ( -5.598 -19.987 -16.845) 26.732 6.348 ( 0.924 3.465 -6.787) 7.677 6.849 ( 19.227 -9.984 11.077) 24.333 7.266 ( 3.636 -2.591 -2.096) 4.933 7.520 ( 8.387 -8.327 -3.202) 12.245 7.905 ( -16.461 13.509 22.581) 31.038 8.578 ( -4.163 12.938 -4.096) 14.195 8.673 ( -15.716 6.109 -8.651) 18.952 9.405 ( 2.108 -0.819 -2.038) 3.044 9.475 ( 10.752 10.864 -4.297) 15.878 9.699 ( -18.188 -5.221 0.592) 18.932 10.522 ( 3.660 -0.490 9.765) 10.440 11.029 ( 5.411 7.415 0.644) 9.202 11.848 ( -5.625 6.540 -8.053) 11.801 12.277 ( -0.657 -2.134 0.660) 2.328 13.044 ( 8.908 -3.996 2.072) 9.981 13.708 ( -17.877 -15.300 1.447) 23.574 14.039 ( 18.050 4.192 3.244) 18.812 15.740 ( 23.835 -10.642 -3.008) 26.276 16.486 ( -22.219 -3.345 13.180) 26.050 17.577 ( -7.894 25.542 -11.369) 29.051 18.018 ( 2.408 6.957 7.136) 10.253 18.949 ( -8.401 7.851 -7.694) 13.836 20.655 ( -2.130 3.506 -3.957) 5.700 21.847 ( 4.079 -11.777 -0.830) 12.491 ======================= Grid point 448 (212/226) ======================= q-point: ( 0.55 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -16.867 -2.012 -5.237) 17.775 3.324 ( 20.145 7.941 6.583) 22.632 3.941 ( -14.014 7.743 -4.540) 16.642 4.317 ( 5.452 -6.674 21.278) 22.957 5.056 ( -1.219 -2.544 -13.464) 13.756 5.795 ( 4.047 -18.504 -12.698) 22.804 6.373 ( 0.823 5.331 -1.344) 5.559 7.086 ( 13.610 -18.450 6.443) 23.815 7.280 ( -2.821 -0.878 2.644) 3.965 7.614 ( 8.114 1.120 -0.435) 8.203 7.834 ( -14.116 -0.860 16.316) 21.592 8.358 ( -7.156 9.353 -1.895) 11.928 8.792 ( 0.229 19.454 -7.038) 20.690 9.254 ( -16.140 -3.098 1.152) 16.475 9.386 ( -3.214 -2.961 3.852) 5.826 9.861 ( 15.439 6.904 -3.614) 17.294 10.616 ( 0.169 4.491 2.233) 5.018 11.076 ( -3.597 0.082 -3.735) 5.186 11.821 ( -2.190 8.740 -1.962) 9.221 12.328 ( 5.274 2.310 0.006) 5.758 13.172 ( 9.318 -7.771 0.309) 12.137 13.291 ( -13.662 -9.985 1.622) 17.000 14.344 ( 10.390 1.806 2.223) 10.778 16.002 ( -4.456 -24.420 10.954) 27.133 16.156 ( 9.439 9.040 -11.122) 17.161 17.593 ( -6.078 20.918 -14.151) 25.976 18.203 ( -4.232 13.160 10.696) 17.479 18.858 ( -4.129 6.226 -2.218) 7.793 20.642 ( -1.344 4.443 -2.256) 5.161 21.806 ( 3.622 -11.637 3.754) 12.752 ======================= Grid point 449 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -11.913 -6.961 -15.905) 21.056 3.739 ( 10.391 7.987 -3.848) 13.659 3.805 ( -2.655 5.423 4.322) 7.425 4.331 ( -5.788 -11.991 5.979) 14.596 4.996 ( 1.267 5.082 -1.643) 5.489 5.724 ( 11.348 -12.497 -7.522) 18.481 6.454 ( 2.582 1.069 1.712) 3.277 7.015 ( -6.181 -11.057 2.821) 12.977 7.161 ( -7.761 -8.474 11.166) 16.022 7.575 ( -14.065 1.781 6.064) 15.420 7.895 ( 12.351 4.327 2.978) 13.422 8.533 ( 8.219 18.253 -1.620) 20.083 8.853 ( -0.354 1.769 -5.577) 5.861 9.155 ( 1.253 4.618 5.079) 6.978 9.299 ( -4.768 -5.040 4.629) 8.341 10.113 ( 9.761 2.624 -3.225) 10.609 10.601 ( -6.232 1.701 -6.720) 9.321 10.946 ( -5.197 0.467 -3.202) 6.122 11.919 ( 1.141 10.658 3.806) 11.375 12.423 ( 1.016 1.979 -0.843) 2.379 12.961 ( -7.670 -7.967 -0.888) 11.095 13.331 ( 11.194 -6.662 0.619) 13.041 14.440 ( -2.248 2.633 -1.289) 3.694 15.515 ( -19.828 -21.094 4.878) 29.358 16.566 ( 28.484 1.523 -15.186) 32.315 17.623 ( -2.904 15.696 -10.357) 19.029 18.201 ( -13.497 9.106 9.516) 18.859 18.966 ( 5.526 9.610 4.000) 11.785 20.682 ( 0.133 6.873 0.850) 6.927 21.777 ( 0.827 -9.235 6.983) 11.608 ======================= Grid point 450 (214/226) ======================= q-point: (-0.27 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 6.423 -3.405 -16.392) 17.932 3.730 ( -2.751 5.307 -4.608) 7.547 3.921 ( -7.870 -7.837 -6.705) 12.974 4.193 ( 9.461 -1.297 5.137) 10.843 5.082 ( -2.296 5.943 4.650) 7.888 5.792 ( 11.468 -7.616 -6.691) 15.307 6.437 ( -1.529 -7.417 2.821) 8.081 6.784 ( -18.515 4.644 8.004) 20.699 7.069 ( -1.483 -7.625 9.587) 12.339 7.407 ( -9.145 -0.636 4.371) 10.155 8.252 ( 17.844 11.675 3.194) 21.562 8.830 ( 6.715 14.790 -10.470) 19.325 8.921 ( 15.790 -8.475 5.786) 18.832 9.198 ( -5.767 -1.360 5.256) 7.920 9.290 ( 3.719 4.778 2.171) 6.432 10.196 ( 0.788 -0.679 -2.820) 3.006 10.349 ( -11.236 -6.791 -9.952) 16.475 10.927 ( 0.095 5.623 -2.996) 6.372 12.087 ( 0.998 9.519 5.145) 10.866 12.361 ( -6.922 0.320 1.705) 7.136 12.863 ( 1.738 -1.173 -1.570) 2.619 13.441 ( 10.178 -8.534 -1.310) 13.347 14.308 ( -15.812 6.107 -3.688) 17.347 15.018 ( -11.851 -26.339 0.373) 28.885 16.850 ( 12.522 0.851 -18.197) 22.105 17.731 ( 9.255 8.590 -5.445) 13.751 18.130 ( -9.410 4.917 11.964) 15.996 19.215 ( 6.530 12.267 3.664) 14.371 20.790 ( 1.665 8.204 3.649) 9.132 21.723 ( -4.115 -5.620 7.863) 10.504 ======================= Grid point 534 (215/226) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 0.000 -0.000 38.195) 38.195 2.889 ( 0.000 -0.000 38.195) 38.195 3.825 ( -0.000 0.000 -0.322) 0.322 4.906 ( -0.000 0.000 -31.913) 31.913 4.906 ( -0.000 0.000 -31.913) 31.913 5.694 ( 0.000 -0.000 35.839) 35.839 6.672 ( -0.000 0.000 -5.184) 5.184 7.297 ( -0.000 0.000 -3.774) 3.774 7.297 ( -0.000 0.000 -3.774) 3.774 7.983 ( 0.000 -0.000 2.461) 2.461 7.983 ( 0.000 -0.000 2.461) 2.461 8.376 ( -0.000 0.000 -9.624) 9.624 9.056 ( 0.000 -0.000 6.723) 6.723 9.056 ( 0.000 -0.000 6.723) 6.723 9.570 ( -0.000 0.000 -11.515) 11.515 9.865 ( -0.000 0.000 -4.004) 4.004 9.974 ( 0.000 0.000 1.833) 1.833 9.974 ( 0.000 -0.000 1.833) 1.833 11.712 ( -0.000 0.000 -3.985) 3.985 11.712 ( -0.000 0.000 -3.985) 3.985 13.993 ( 0.000 -0.000 1.129) 1.129 14.141 ( 0.000 -0.000 0.689) 0.689 14.141 ( 0.000 0.000 0.689) 0.689 15.355 ( -0.000 0.000 -0.654) 0.654 15.355 ( -0.000 0.000 -0.654) 0.654 17.656 ( 0.000 -0.000 0.296) 0.296 17.903 ( 0.000 -0.000 1.814) 1.814 17.903 ( 0.000 -0.000 1.814) 1.814 20.725 ( 0.000 -0.000 3.050) 3.050 22.409 ( -0.000 0.000 -1.709) 1.709 ======================= Grid point 535 (216/226) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -16.657 5.650 35.979) 40.048 3.548 ( 3.624 2.104 19.987) 20.422 3.783 ( 12.568 1.436 9.046) 15.551 4.297 ( -12.262 -13.185 -29.839) 34.851 5.100 ( 11.856 9.051 -31.433) 34.792 5.939 ( 5.195 -1.663 33.860) 34.296 6.573 ( -4.502 -0.746 -2.774) 5.340 7.076 ( -10.104 -14.963 0.349) 18.058 7.374 ( 0.972 12.466 -4.832) 13.405 7.887 ( -8.456 -5.871 2.399) 10.570 8.104 ( 3.988 4.331 2.731) 6.490 8.438 ( 5.259 3.053 -11.318) 12.848 8.719 ( -13.589 -14.113 4.599) 20.125 9.080 ( -6.448 8.847 1.013) 10.995 9.486 ( 0.642 -6.435 -17.524) 18.679 9.896 ( 13.002 -14.732 6.415) 20.670 10.050 ( -1.022 18.422 1.679) 18.526 10.289 ( 15.489 10.897 2.182) 19.064 11.724 ( 5.444 -4.816 -4.179) 8.384 11.820 ( 7.507 12.201 -3.975) 14.867 13.835 ( -14.778 -4.229 0.574) 15.382 14.005 ( -6.137 -12.445 1.288) 13.936 14.170 ( 0.324 6.249 -0.375) 6.269 15.478 ( 8.869 5.920 -0.516) 10.675 15.681 ( 25.372 13.719 1.684) 28.892 17.330 ( -18.764 -11.162 1.082) 21.860 17.921 ( -0.232 3.206 1.056) 3.384 18.242 ( 20.118 7.616 -3.268) 21.758 20.707 ( -2.654 -1.818 2.107) 3.845 22.346 ( -4.273 -2.526 -1.599) 5.215 ======================= Grid point 536 (217/226) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -16.245 10.545 24.425) 31.172 3.385 ( -7.822 0.212 -0.187) 7.827 3.888 ( -1.982 -10.765 -17.594) 20.721 4.354 ( 17.505 7.087 20.563) 27.919 5.050 ( -1.587 -2.226 -25.045) 25.194 6.198 ( 11.998 -5.292 6.389) 14.587 6.583 ( -7.956 -9.236 5.390) 13.328 6.739 ( -3.539 1.104 10.620) 11.249 7.538 ( 2.827 12.410 0.357) 12.733 7.707 ( -5.763 -1.973 2.802) 6.705 8.083 ( -15.522 -0.005 2.801) 15.772 8.186 ( -10.491 -7.287 -6.898) 14.517 8.641 ( 9.155 -3.797 -7.480) 12.417 9.195 ( 3.421 1.748 1.691) 4.197 9.333 ( 2.770 3.377 -17.901) 18.427 9.966 ( 6.881 -9.371 0.978) 11.668 10.255 ( 3.083 12.001 6.204) 13.857 10.661 ( 11.058 9.471 5.624) 15.608 11.743 ( 4.530 -1.263 -6.327) 7.884 12.090 ( 11.051 8.963 -1.104) 14.272 13.508 ( -19.631 0.363 -0.439) 19.640 13.750 ( -4.288 -20.368 1.651) 20.880 14.259 ( 0.254 10.322 -0.972) 10.371 15.719 ( 10.713 5.378 0.186) 11.989 16.365 ( 27.349 19.324 9.749) 34.877 16.893 ( -15.276 -14.677 -1.434) 21.233 17.974 ( 1.454 5.686 -1.174) 5.985 18.593 ( 16.323 5.223 -7.623) 18.757 20.642 ( -2.531 -2.388 0.633) 3.536 22.201 ( -7.034 -4.191 -2.358) 8.520 ======================= Grid point 537 (218/226) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -17.122 3.586 12.354) 21.416 3.468 ( 4.885 12.776 6.476) 15.134 3.766 ( 8.088 -8.529 -11.099) 16.166 4.640 ( -12.524 5.058 4.913) 14.373 4.844 ( 8.553 -6.676 -5.372) 12.107 6.094 ( -16.082 -24.401 5.722) 29.779 6.371 ( 8.888 1.441 -7.026) 11.421 7.028 ( 2.779 14.288 6.735) 16.039 7.447 ( -11.593 -4.231 -5.228) 13.403 7.706 ( -10.553 -4.128 1.556) 11.438 7.907 ( -8.087 5.649 2.779) 10.249 8.073 ( 17.056 5.037 -0.521) 17.792 8.759 ( 12.340 -5.803 -4.860) 14.477 9.149 ( -1.166 2.399 -7.691) 8.140 9.393 ( -0.786 3.569 -5.958) 6.989 10.022 ( 8.447 -5.975 0.948) 10.390 10.455 ( 4.065 7.688 6.864) 11.079 10.885 ( 0.806 7.170 6.620) 9.792 11.790 ( 6.118 1.281 -6.888) 9.302 12.318 ( 7.608 3.181 1.296) 8.347 13.187 ( -18.003 2.400 -0.232) 18.164 13.505 ( -1.651 -18.989 0.757) 19.076 14.360 ( 0.378 9.174 -0.421) 9.192 15.837 ( -9.298 8.019 -2.535) 12.537 16.532 ( -0.786 -20.907 12.492) 24.367 17.102 ( 25.933 15.740 6.177) 30.959 18.071 ( 2.662 10.374 -4.908) 11.781 18.813 ( 10.845 2.447 -7.654) 13.498 20.611 ( 1.277 -0.488 -0.697) 1.535 22.001 ( -8.248 -5.021 -4.198) 10.529 ======================= Grid point 546 (219/226) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 12.785 -8.551 35.471) 38.662 3.631 ( 3.414 -11.454 -1.850) 12.094 3.801 ( -12.228 17.053 19.114) 28.385 4.120 ( -2.234 -14.281 -19.094) 23.948 4.925 ( 1.493 18.549 -31.911) 36.940 6.103 ( -3.660 -2.722 27.288) 27.667 6.575 ( 2.252 -0.843 -0.008) 2.405 7.096 ( -6.458 -14.100 -1.421) 15.574 7.364 ( 8.088 11.019 -4.385) 14.355 8.065 ( -8.446 2.070 3.058) 9.218 8.113 ( 11.956 7.522 3.912) 14.657 8.197 ( -3.801 -5.276 -13.799) 15.254 8.766 ( -6.705 -26.686 1.655) 27.565 9.016 ( 13.441 -6.501 6.598) 16.324 9.390 ( -6.009 -0.265 -14.805) 15.980 9.865 ( -10.106 -1.318 4.568) 11.169 10.118 ( 9.447 13.261 3.685) 16.694 10.362 ( -0.396 25.667 -3.183) 25.867 11.633 ( -2.184 -1.935 -0.327) 2.937 11.857 ( 2.172 14.740 -4.934) 15.695 13.838 ( -1.787 -15.365 0.393) 15.473 14.032 ( 7.086 -10.734 -0.013) 12.863 14.144 ( -4.636 2.457 0.783) 5.304 15.451 ( 0.611 9.937 0.886) 9.995 15.707 ( -0.508 29.550 0.414) 29.557 17.382 ( -0.040 -16.247 -1.891) 16.357 17.929 ( 2.247 0.621 0.700) 2.435 18.192 ( -2.779 16.763 -0.296) 16.995 20.718 ( -0.179 -3.446 1.576) 3.793 22.331 ( -0.038 -6.038 -0.825) 6.094 ======================= Grid point 547 (220/226) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -11.066 3.510 16.334) 20.039 3.473 ( -2.457 -6.842 1.166) 7.362 3.539 ( 2.889 -14.828 -25.346) 29.507 4.353 ( 10.248 12.457 30.927) 34.881 4.926 ( 0.907 8.362 -28.911) 30.110 6.104 ( -1.388 -7.009 12.335) 14.255 6.679 ( -2.388 3.244 5.526) 6.839 6.849 ( -2.916 -10.440 7.085) 12.950 7.537 ( 2.000 10.918 -9.063) 14.329 7.803 ( -8.486 -5.421 2.651) 10.413 8.140 ( -0.338 -12.398 -9.299) 15.502 8.288 ( 0.852 -0.831 -0.269) 1.220 8.464 ( -3.547 -6.915 2.079) 8.045 9.190 ( 8.703 0.264 4.006) 9.584 9.280 ( -1.072 7.085 -11.926) 13.913 9.725 ( -2.363 -6.836 6.459) 9.697 10.502 ( -5.435 18.584 -5.106) 20.024 10.550 ( 17.743 12.460 4.013) 22.049 11.633 ( 2.624 -1.475 0.834) 3.123 12.051 ( 5.602 14.566 -4.371) 16.207 13.575 ( -4.629 -18.770 -0.426) 19.337 13.930 ( -20.082 3.006 0.004) 20.306 14.154 ( 12.700 -6.901 -0.722) 14.472 15.637 ( 7.330 9.230 1.937) 11.945 16.212 ( 18.618 32.753 2.202) 37.740 17.065 ( -15.078 -13.867 -2.222) 20.605 17.968 ( 2.720 1.575 -2.218) 3.847 18.424 ( 8.933 12.307 0.383) 15.212 20.663 ( -2.252 -3.923 1.041) 4.642 22.223 ( -3.759 -8.013 -0.546) 8.868 ======================= Grid point 548 (221/226) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( -14.415 4.428 -2.596) 15.301 3.295 ( 9.634 -16.221 -14.518) 23.806 3.696 ( 2.676 14.937 9.596) 17.954 4.615 ( -1.128 -7.113 -15.226) 16.843 4.894 ( 1.428 8.760 15.699) 18.034 6.105 ( -2.538 -10.711 9.750) 14.704 6.369 ( -12.964 -7.012 -0.026) 14.739 7.085 ( 10.288 10.050 7.329) 16.142 7.419 ( -3.058 -16.196 -3.793) 16.913 7.777 ( -9.309 -14.631 1.379) 17.396 7.897 ( 5.849 9.201 -14.282) 17.968 8.295 ( -16.861 11.679 3.001) 20.729 8.437 ( 16.171 -2.059 -1.614) 16.381 9.280 ( -6.704 14.641 -3.936) 16.577 9.376 ( 5.262 4.406 -1.457) 7.016 9.733 ( 10.576 -13.367 4.665) 17.672 10.544 ( -1.566 10.085 -3.615) 10.827 10.929 ( 9.502 8.081 5.110) 13.480 11.690 ( 3.876 1.721 0.050) 4.241 12.238 ( 5.285 5.934 -1.319) 8.055 13.340 ( -1.152 -17.125 -1.124) 17.201 13.583 ( -22.781 5.017 -0.719) 23.339 14.282 ( 9.844 -5.947 -1.793) 11.640 15.891 ( 10.842 4.868 5.668) 13.167 16.535 ( -17.758 -5.571 -15.281) 24.081 16.979 ( 19.370 20.078 18.087) 33.249 18.049 ( 6.008 4.636 -5.639) 9.454 18.680 ( 7.436 9.265 0.169) 11.881 20.606 ( -1.024 -1.357 1.218) 2.091 22.041 ( -6.694 -8.782 -1.547) 11.150 ======================= Grid point 557 (222/226) ======================= q-point: ( 0.45 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 10.614 -8.656 33.796) 36.466 3.390 ( 7.267 -12.145 -2.866) 14.441 3.857 ( -2.187 -2.900 -24.965) 25.228 4.359 ( -9.654 6.762 28.186) 30.551 4.937 ( -2.973 13.796 -28.374) 31.690 6.222 ( -0.687 -1.781 -1.484) 2.418 6.626 ( -5.436 1.672 13.197) 14.370 6.950 ( 9.133 -6.929 -4.971) 12.495 7.376 ( -1.670 5.413 8.178) 9.948 7.828 ( 11.521 -8.521 0.697) 14.346 8.077 ( 5.465 -6.440 -0.987) 8.504 8.288 ( 5.186 -1.533 -2.839) 6.108 8.529 ( -6.677 -11.551 -3.855) 13.887 9.066 ( -12.348 6.140 5.981) 15.031 9.379 ( 3.532 4.082 -12.151) 13.296 9.814 ( 2.439 -6.214 -3.004) 7.320 10.363 ( -9.108 8.414 9.412) 15.567 10.610 ( -2.716 21.733 -1.894) 21.983 11.676 ( -3.381 -0.085 -3.845) 5.121 12.013 ( -5.915 13.320 -0.189) 14.575 13.563 ( 13.846 -14.006 0.898) 19.715 13.937 ( -11.778 -16.683 -0.715) 20.434 14.130 ( 12.234 6.873 1.822) 14.150 15.661 ( -7.691 13.035 -0.693) 15.151 16.172 ( -17.347 25.227 6.236) 31.244 17.092 ( 11.150 -10.658 -4.559) 16.084 17.929 ( 0.195 1.101 1.923) 2.225 18.471 ( -10.387 13.615 -4.790) 17.782 20.671 ( 1.864 -3.311 0.178) 3.804 22.224 ( 3.712 -7.942 -0.679) 8.793 ======================= Grid point 558 (223/226) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 2.857 -17.414 -4.145) 18.127 3.466 ( 7.501 -1.477 9.079) 11.869 3.533 ( -9.127 0.206 -7.466) 11.793 4.550 ( 2.718 5.259 28.895) 29.495 4.853 ( -2.482 11.331 -28.881) 31.123 6.186 ( -2.572 0.249 4.197) 4.929 6.633 ( 8.381 -17.539 0.650) 19.449 6.849 ( -8.844 4.749 3.809) 10.737 7.583 ( 4.575 10.580 -4.054) 12.219 7.819 ( 0.362 -7.034 -8.468) 11.015 8.059 ( -3.583 -8.437 3.553) 9.831 8.146 ( -6.752 -19.891 -3.352) 21.271 8.489 ( 8.811 7.978 7.963) 14.306 9.051 ( 2.061 -1.963 10.399) 10.782 9.312 ( -2.949 6.700 -8.546) 11.253 9.927 ( -2.116 2.168 4.061) 5.066 10.358 ( 5.839 9.847 -3.345) 11.927 10.757 ( -4.244 16.767 -4.974) 17.997 11.645 ( -0.833 1.574 3.773) 4.172 12.114 ( 1.490 14.688 -3.319) 15.132 13.503 ( -8.378 -17.108 0.104) 19.049 13.769 ( 16.019 -14.040 -0.459) 21.306 14.243 ( -8.003 5.625 0.708) 9.808 15.702 ( -2.511 11.301 1.991) 11.747 16.386 ( 4.489 31.085 6.416) 32.056 17.010 ( -0.108 -11.314 -13.177) 17.368 17.956 ( -1.394 1.899 0.834) 2.499 18.506 ( -0.081 14.110 2.046) 14.257 20.646 ( -0.132 -3.933 0.208) 3.941 22.169 ( -0.014 -9.785 1.176) 9.856 ======================= Grid point 559 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 3.149 -15.446 -22.829) 27.743 3.275 ( -8.608 4.512 -4.643) 10.771 3.821 ( 7.640 7.963 14.818) 18.475 4.570 ( -9.504 -4.774 -12.241) 16.216 4.939 ( 9.640 4.442 10.716) 15.083 6.215 ( -3.499 6.093 11.628) 13.586 6.476 ( -6.107 -20.530 4.910) 21.975 6.904 ( 8.326 1.575 -6.222) 10.513 7.412 ( -11.615 -11.075 0.595) 16.060 7.759 ( -8.114 -18.536 2.382) 20.374 7.838 ( 1.866 13.986 -20.443) 24.840 8.179 ( 14.870 2.189 4.757) 15.765 8.680 ( -7.434 13.091 6.111) 16.248 9.207 ( 13.562 -6.964 10.336) 18.419 9.360 ( 3.672 5.909 -3.289) 7.696 9.821 ( -14.879 10.180 2.739) 18.235 10.562 ( 5.738 2.377 -10.451) 12.157 10.831 ( 6.327 7.748 -1.005) 10.053 11.709 ( 0.758 4.531 6.807) 8.212 12.254 ( 1.109 9.599 -2.831) 10.069 13.209 ( -4.353 -15.858 -1.088) 16.480 13.926 ( 15.983 -12.788 -2.046) 20.571 14.033 ( -20.476 6.623 -0.505) 21.526 15.785 ( 3.308 -3.316 5.594) 7.296 16.734 ( -12.342 8.181 -23.046) 27.393 16.958 ( 18.768 20.117 13.360) 30.585 17.957 ( 1.387 1.222 -1.863) 2.624 18.720 ( 4.593 12.662 6.226) 14.839 20.615 ( -0.263 -1.215 1.475) 1.929 22.043 ( -4.220 -10.022 1.826) 11.026 ======================= Grid point 668 (225/226) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( 0.000 -0.000 32.842) 32.842 3.557 ( 0.000 -0.000 32.842) 32.842 3.757 ( -0.000 0.000 -3.424) 3.424 4.316 ( -0.000 0.000 -30.693) 30.693 4.316 ( -0.000 0.000 -30.693) 30.693 6.310 ( 0.000 -0.000 25.556) 25.556 6.581 ( -0.000 0.000 -6.011) 6.011 7.243 ( -0.000 0.000 -1.674) 1.674 7.243 ( -0.000 0.000 -1.674) 1.674 8.019 ( 0.000 -0.000 1.164) 1.164 8.019 ( 0.000 -0.000 1.164) 1.164 8.182 ( -0.000 0.000 -8.798) 8.798 9.145 ( 0.000 -0.000 2.673) 2.673 9.145 ( 0.000 -0.000 2.673) 2.673 9.343 ( -0.000 0.000 -7.783) 7.783 9.878 ( 0.000 -0.000 1.345) 1.345 9.991 ( 0.000 0.000 0.248) 0.248 9.991 ( 0.000 -0.000 0.248) 0.248 11.662 ( -0.000 0.000 -1.388) 1.388 11.662 ( -0.000 0.000 -1.388) 1.388 14.006 ( 0.000 -0.000 0.347) 0.347 14.150 ( 0.000 -0.000 0.238) 0.238 14.150 ( 0.000 -0.000 0.238) 0.238 15.346 ( -0.000 0.000 -0.245) 0.245 15.346 ( -0.000 0.000 -0.245) 0.245 17.661 ( 0.000 -0.000 0.152) 0.152 17.926 ( 0.000 -0.000 0.671) 0.671 17.926 ( 0.000 -0.000 0.671) 0.671 20.765 ( 0.000 -0.000 1.156) 1.156 22.386 ( -0.000 0.000 -0.668) 0.668 ======================= Grid point 669 (226/226) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -18.737 -2.616 29.307) 34.883 3.596 ( -11.189 -4.525 -0.639) 12.086 3.697 ( -2.208 -10.787 -28.525) 30.576 4.321 ( 18.055 8.107 32.466) 38.023 4.506 ( 14.282 10.657 -32.578) 37.133 6.315 ( -7.979 -5.709 3.757) 10.506 6.594 ( 5.677 3.864 2.543) 7.323 7.079 ( -11.869 -8.103 0.413) 14.377 7.324 ( 6.861 5.665 -0.340) 8.904 7.963 ( -6.598 -6.500 7.831) 12.129 8.126 ( 2.408 9.145 -0.798) 9.490 8.219 ( 7.479 -0.323 -9.864) 12.383 8.781 ( -21.701 -13.990 1.171) 25.846 9.107 ( -2.012 2.546 0.337) 3.262 9.251 ( -3.119 -4.334 -4.664) 7.090 9.930 ( 1.255 0.179 -2.000) 2.368 10.122 ( 10.138 4.124 3.801) 11.586 10.314 ( 19.544 13.482 1.339) 23.780 11.656 ( 0.202 -0.516 -2.777) 2.832 11.799 ( 11.212 7.037 1.293) 13.301 13.841 ( -14.786 -5.225 0.106) 15.683 14.025 ( -5.463 -12.420 0.769) 13.590 14.159 ( -0.378 6.138 -0.774) 6.198 15.466 ( 9.387 5.407 -0.748) 10.858 15.702 ( 27.045 15.423 0.752) 31.143 17.354 ( -17.882 -10.536 1.366) 20.800 17.933 ( 0.164 0.929 0.260) 0.978 18.201 ( 15.247 8.041 -1.305) 17.287 20.730 ( -3.148 -1.862 0.324) 3.671 22.327 ( -4.731 -2.741 -0.422) 5.483 =================== 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 3/39930 10.0 1987.674 1987.674 2399.887 0.000 -0.000 0.000 3/39930 20.0 727.598 727.598 711.186 0.000 -0.000 0.000 3/39930 30.0 299.133 299.133 299.459 0.000 -0.000 0.000 3/39930 40.0 168.288 168.288 169.179 0.000 -0.000 0.000 3/39930 50.0 106.683 106.683 107.098 0.000 -0.000 0.000 3/39930 60.0 73.525 73.525 73.385 0.000 -0.000 0.000 3/39930 70.0 54.134 54.134 53.606 0.000 -0.000 0.000 3/39930 80.0 41.987 41.987 41.215 0.000 -0.000 0.000 3/39930 90.0 33.917 33.917 32.997 0.000 -0.000 0.000 3/39930 100.0 28.282 28.282 27.279 0.000 -0.000 0.000 3/39930 110.0 24.179 24.179 23.134 0.000 -0.000 0.000 3/39930 120.0 21.084 21.084 20.025 0.000 -0.000 0.000 3/39930 130.0 18.680 18.680 17.625 0.000 -0.000 0.000 3/39930 140.0 16.767 16.767 15.726 0.000 -0.000 0.000 3/39930 150.0 15.211 15.211 14.193 0.000 -0.000 0.000 3/39930 160.0 13.924 13.924 12.932 0.000 -0.000 0.000 3/39930 170.0 12.842 12.842 11.878 0.000 -0.000 0.000 3/39930 180.0 11.920 11.920 10.986 0.000 -0.000 0.000 3/39930 190.0 11.126 11.126 10.222 0.000 -0.000 0.000 3/39930 200.0 10.435 10.435 9.560 0.000 -0.000 0.000 3/39930 210.0 9.828 9.828 8.981 0.000 -0.000 0.000 3/39930 220.0 9.290 9.290 8.471 0.000 -0.000 0.000 3/39930 230.0 8.810 8.810 8.018 0.000 -0.000 0.000 3/39930 240.0 8.380 8.380 7.613 0.000 -0.000 0.000 3/39930 250.0 7.991 7.991 7.249 0.000 -0.000 0.000 3/39930 260.0 7.639 7.639 6.919 0.000 -0.000 0.000 3/39930 270.0 7.317 7.317 6.619 0.000 -0.000 0.000 3/39930 280.0 7.023 7.023 6.346 0.000 -0.000 0.000 3/39930 290.0 6.752 6.752 6.095 0.000 -0.000 0.000 3/39930 300.0 6.502 6.502 5.864 0.000 -0.000 0.000 3/39930 310.0 6.271 6.271 5.650 0.000 -0.000 0.000 3/39930 320.0 6.056 6.056 5.452 0.000 -0.000 0.000 3/39930 330.0 5.856 5.856 5.268 0.000 -0.000 0.000 3/39930 340.0 5.669 5.669 5.097 0.000 -0.000 0.000 3/39930 350.0 5.494 5.494 4.937 0.000 -0.000 0.000 3/39930 360.0 5.330 5.330 4.787 0.000 -0.000 0.000 3/39930 370.0 5.176 5.176 4.646 0.000 -0.000 0.000 3/39930 380.0 5.030 5.030 4.513 0.000 -0.000 0.000 3/39930 390.0 4.893 4.893 4.388 0.000 -0.000 0.000 3/39930 400.0 4.763 4.763 4.270 0.000 -0.000 0.000 3/39930 410.0 4.641 4.641 4.159 0.000 -0.000 0.000 3/39930 420.0 4.524 4.524 4.053 0.000 -0.000 0.000 3/39930 430.0 4.414 4.414 3.953 0.000 -0.000 0.000 3/39930 440.0 4.308 4.308 3.857 0.000 -0.000 0.000 3/39930 450.0 4.208 4.208 3.766 0.000 -0.000 0.000 3/39930 460.0 4.113 4.113 3.680 0.000 -0.000 0.000 3/39930 470.0 4.021 4.021 3.597 0.000 -0.000 0.000 3/39930 480.0 3.934 3.934 3.519 0.000 -0.000 0.000 3/39930 490.0 3.851 3.851 3.443 0.000 -0.000 0.000 3/39930 500.0 3.771 3.771 3.371 0.000 -0.000 0.000 3/39930 510.0 3.694 3.694 3.302 0.000 -0.000 0.000 3/39930 520.0 3.621 3.621 3.236 0.000 -0.000 0.000 3/39930 530.0 3.550 3.550 3.172 0.000 -0.000 0.000 3/39930 540.0 3.483 3.483 3.111 0.000 -0.000 0.000 3/39930 550.0 3.417 3.417 3.052 0.000 -0.000 0.000 3/39930 560.0 3.355 3.355 2.996 0.000 -0.000 0.000 3/39930 570.0 3.294 3.294 2.941 0.000 -0.000 0.000 3/39930 580.0 3.236 3.236 2.889 0.000 -0.000 0.000 3/39930 590.0 3.180 3.180 2.838 0.000 -0.000 0.000 3/39930 600.0 3.125 3.125 2.790 0.000 -0.000 0.000 3/39930 610.0 3.073 3.073 2.742 0.000 -0.000 0.000 3/39930 620.0 3.022 3.022 2.697 0.000 -0.000 0.000 3/39930 630.0 2.973 2.973 2.653 0.000 -0.000 0.000 3/39930 640.0 2.926 2.926 2.610 0.000 -0.000 0.000 3/39930 650.0 2.880 2.880 2.569 0.000 -0.000 0.000 3/39930 660.0 2.835 2.835 2.529 0.000 -0.000 0.000 3/39930 670.0 2.792 2.792 2.490 0.000 -0.000 0.000 3/39930 680.0 2.750 2.750 2.453 0.000 -0.000 0.000 3/39930 690.0 2.710 2.710 2.416 0.000 -0.000 0.000 3/39930 700.0 2.670 2.670 2.381 0.000 -0.000 0.000 3/39930 710.0 2.632 2.632 2.347 0.000 -0.000 0.000 3/39930 720.0 2.595 2.595 2.314 0.000 -0.000 0.000 3/39930 730.0 2.559 2.559 2.281 0.000 -0.000 0.000 3/39930 740.0 2.523 2.523 2.250 0.000 -0.000 0.000 3/39930 750.0 2.489 2.489 2.219 0.000 -0.000 0.000 3/39930 760.0 2.456 2.456 2.189 0.000 -0.000 0.000 3/39930 770.0 2.424 2.424 2.160 0.000 -0.000 0.000 3/39930 780.0 2.392 2.392 2.132 0.000 -0.000 0.000 3/39930 790.0 2.361 2.361 2.105 0.000 -0.000 0.000 3/39930 800.0 2.332 2.332 2.078 0.000 -0.000 0.000 3/39930 810.0 2.302 2.302 2.052 0.000 -0.000 0.000 3/39930 820.0 2.274 2.274 2.026 0.000 -0.000 0.000 3/39930 830.0 2.246 2.246 2.002 0.000 -0.000 0.000 3/39930 840.0 2.219 2.219 1.977 0.000 -0.000 0.000 3/39930 850.0 2.193 2.193 1.954 0.000 -0.000 0.000 3/39930 860.0 2.167 2.167 1.931 0.000 -0.000 0.000 3/39930 870.0 2.142 2.142 1.908 0.000 -0.000 0.000 3/39930 880.0 2.117 2.117 1.886 0.000 -0.000 0.000 3/39930 890.0 2.093 2.093 1.865 0.000 -0.000 0.000 3/39930 900.0 2.070 2.070 1.844 0.000 -0.000 0.000 3/39930 910.0 2.047 2.047 1.823 0.000 -0.000 0.000 3/39930 920.0 2.024 2.024 1.803 0.000 -0.000 0.000 3/39930 930.0 2.002 2.002 1.784 0.000 -0.000 0.000 3/39930 940.0 1.981 1.981 1.764 0.000 -0.000 0.000 3/39930 950.0 1.960 1.960 1.746 0.000 -0.000 0.000 3/39930 960.0 1.939 1.939 1.727 0.000 -0.000 0.000 3/39930 970.0 1.919 1.919 1.709 0.000 -0.000 0.000 3/39930 980.0 1.899 1.899 1.692 0.000 -0.000 0.000 3/39930 990.0 1.880 1.880 1.674 0.000 -0.000 0.000 3/39930 1000.0 1.861 1.861 1.657 0.000 -0.000 0.000 3/39930 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:31:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|