----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:17:49]------------------------- 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 2.622534829961246 1.514121190037292 4.948560459999994 b -2.622534829961241 1.514121190037292 4.948560459999994 c 0.000000000000003 -3.028242380074588 4.948560459999994 Atomic positions (fractional): *1 O 0.96422065569021 0.56194224770820 0.19619547839351 15.999 2 O 0.19619547839351 0.96422065569021 0.56194224770820 15.999 3 O 0.56194224770820 0.19619547839351 0.96422065569021 15.999 4 O 0.03577934430979 0.43805775229180 0.80380452160650 15.999 5 O 0.43805775229180 0.80380452160649 0.03577934430979 15.999 6 O 0.80380452160649 0.03577934430979 0.43805775229180 15.999 *7 Ti 0.14960009738588 0.14960009738588 0.14960009738588 47.867 8 Ti 0.85039990261412 0.85039990261412 0.85039990261412 47.867 *9 Cd 0.36329822009026 0.36329822009026 0.36329822009026 112.411 10 Cd 0.63670177990974 0.63670177990974 0.63670177990974 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.245069659922487 0.000000000000000 0.000000000000000 b -2.622534829961244 4.542363570111880 0.000000000000000 c 0.000000000000000 0.000000000000000 14.845681379999998 Atomic positions (fractional): *1 O 0.72343452842624 0.04459064887047 0.24078612726397 15.999 > 1 2 O 0.95540935112953 0.67884387955577 0.24078612726397 15.999 > 2 3 O 0.32115612044423 0.27656547157376 0.24078612726397 15.999 > 3 4 O 0.94323213824043 0.28874268446287 0.09254720606936 15.999 > 4 5 O 0.34551054622244 0.05676786175957 0.09254720606936 15.999 > 5 6 O 0.71125731553713 0.65448945377756 0.09254720606936 15.999 > 6 7 O 0.39010119509290 0.37792398220380 0.57411946059731 15.999 > 1 8 O 0.62207601779620 0.01217721288910 0.57411946059731 15.999 > 2 9 O 0.98782278711089 0.60989880490710 0.57411946059731 15.999 > 3 10 O 0.60989880490710 0.62207601779620 0.42588053940269 15.999 > 4 11 O 0.01217721288910 0.39010119509290 0.42588053940269 15.999 > 5 12 O 0.37792398220380 0.98782278711089 0.42588053940269 15.999 > 6 13 O 0.05676786175957 0.71125731553713 0.90745279393064 15.999 > 1 14 O 0.28874268446287 0.34551054622244 0.90745279393064 15.999 > 2 15 O 0.65448945377756 0.94323213824043 0.90745279393064 15.999 > 3 16 O 0.27656547157376 0.95540935112953 0.75921387273603 15.999 > 4 17 O 0.67884387955577 0.72343452842624 0.75921387273603 15.999 > 5 18 O 0.04459064887047 0.32115612044423 0.75921387273603 15.999 > 6 *19 Ti 0.00000000000000 0.00000000000000 0.14960009738588 47.867 > 7 20 Ti 0.66666666666667 0.33333333333333 0.18373323594745 47.867 > 8 21 Ti 0.66666666666667 0.33333333333333 0.48293343071921 47.867 > 7 22 Ti 0.33333333333333 0.66666666666667 0.51706656928079 47.867 > 8 23 Ti 0.33333333333333 0.66666666666667 0.81626676405255 47.867 > 7 24 Ti 0.00000000000000 0.00000000000000 0.85039990261412 47.867 > 8 *25 Cd 0.33333333333333 0.66666666666667 0.02996488675692 112.411 > 9 26 Cd 0.33333333333333 0.66666666666667 0.30336844657641 112.411 > 10 27 Cd 0.00000000000000 0.00000000000000 0.36329822009026 112.411 > 9 28 Cd 0.00000000000000 0.00000000000000 0.63670177990974 112.411 > 10 29 Cd 0.66666666666667 0.33333333333333 0.69663155342359 112.411 > 9 30 Cd 0.66666666666667 0.33333333333333 0.97003511324308 112.411 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.490139319844975 0.000000000000000 0.000000000000000 b -5.245069659922488 9.084727140223761 0.000000000000000 c 0.000000000000000 0.000000000000000 14.845681379999998 Atomic positions (fractional): *1 O 0.36171726421312 0.02229532443523 0.24078612726397 15.999 > 1 2 O 0.86171726421312 0.02229532443523 0.24078612726397 15.999 > 1 3 O 0.36171726421312 0.52229532443523 0.24078612726397 15.999 > 1 4 O 0.86171726421312 0.52229532443523 0.24078612726397 15.999 > 1 5 O 0.47770467556477 0.33942193977789 0.24078612726397 15.999 > 2 6 O 0.97770467556477 0.33942193977789 0.24078612726397 15.999 > 2 7 O 0.47770467556477 0.83942193977789 0.24078612726397 15.999 > 2 8 O 0.97770467556477 0.83942193977789 0.24078612726397 15.999 > 2 9 O 0.16057806022211 0.13828273578688 0.24078612726397 15.999 > 3 10 O 0.66057806022211 0.13828273578688 0.24078612726397 15.999 > 3 11 O 0.16057806022211 0.63828273578688 0.24078612726397 15.999 > 3 12 O 0.66057806022211 0.63828273578688 0.24078612726397 15.999 > 3 13 O 0.47161606912021 0.14437134223143 0.09254720606936 15.999 > 4 14 O 0.97161606912021 0.14437134223143 0.09254720606936 15.999 > 4 15 O 0.47161606912021 0.64437134223143 0.09254720606936 15.999 > 4 16 O 0.97161606912021 0.64437134223143 0.09254720606936 15.999 > 4 17 O 0.17275527311122 0.02838393087978 0.09254720606936 15.999 > 5 18 O 0.67275527311122 0.02838393087978 0.09254720606936 15.999 > 5 19 O 0.17275527311122 0.52838393087978 0.09254720606936 15.999 > 5 20 O 0.67275527311122 0.52838393087978 0.09254720606936 15.999 > 5 21 O 0.35562865776857 0.32724472688878 0.09254720606936 15.999 > 6 22 O 0.85562865776857 0.32724472688878 0.09254720606936 15.999 > 6 23 O 0.35562865776857 0.82724472688878 0.09254720606936 15.999 > 6 24 O 0.85562865776857 0.82724472688878 0.09254720606936 15.999 > 6 25 O 0.19505059754645 0.18896199110190 0.57411946059731 15.999 > 1 26 O 0.69505059754645 0.18896199110190 0.57411946059731 15.999 > 1 27 O 0.19505059754645 0.68896199110190 0.57411946059731 15.999 > 1 28 O 0.69505059754645 0.68896199110190 0.57411946059731 15.999 > 1 29 O 0.31103800889810 0.00608860644455 0.57411946059731 15.999 > 2 30 O 0.81103800889810 0.00608860644455 0.57411946059731 15.999 > 2 31 O 0.31103800889810 0.50608860644455 0.57411946059731 15.999 > 2 32 O 0.81103800889810 0.50608860644455 0.57411946059731 15.999 > 2 33 O 0.49391139355545 0.30494940245355 0.57411946059731 15.999 > 3 34 O 0.99391139355545 0.30494940245355 0.57411946059731 15.999 > 3 35 O 0.49391139355545 0.80494940245355 0.57411946059731 15.999 > 3 36 O 0.99391139355545 0.80494940245355 0.57411946059731 15.999 > 3 37 O 0.30494940245355 0.31103800889810 0.42588053940269 15.999 > 4 38 O 0.80494940245355 0.31103800889810 0.42588053940269 15.999 > 4 39 O 0.30494940245355 0.81103800889810 0.42588053940269 15.999 > 4 40 O 0.80494940245355 0.81103800889810 0.42588053940269 15.999 > 4 41 O 0.00608860644455 0.19505059754645 0.42588053940269 15.999 > 5 42 O 0.50608860644455 0.19505059754645 0.42588053940269 15.999 > 5 43 O 0.00608860644455 0.69505059754645 0.42588053940269 15.999 > 5 44 O 0.50608860644455 0.69505059754645 0.42588053940269 15.999 > 5 45 O 0.18896199110190 0.49391139355545 0.42588053940269 15.999 > 6 46 O 0.68896199110190 0.49391139355545 0.42588053940269 15.999 > 6 47 O 0.18896199110190 0.99391139355545 0.42588053940269 15.999 > 6 48 O 0.68896199110190 0.99391139355545 0.42588053940269 15.999 > 6 49 O 0.02838393087978 0.35562865776857 0.90745279393064 15.999 > 1 50 O 0.52838393087978 0.35562865776857 0.90745279393064 15.999 > 1 51 O 0.02838393087978 0.85562865776857 0.90745279393064 15.999 > 1 52 O 0.52838393087978 0.85562865776857 0.90745279393064 15.999 > 1 53 O 0.14437134223143 0.17275527311122 0.90745279393064 15.999 > 2 54 O 0.64437134223143 0.17275527311122 0.90745279393064 15.999 > 2 55 O 0.14437134223143 0.67275527311122 0.90745279393064 15.999 > 2 56 O 0.64437134223143 0.67275527311122 0.90745279393064 15.999 > 2 57 O 0.32724472688878 0.47161606912021 0.90745279393064 15.999 > 3 58 O 0.82724472688878 0.47161606912021 0.90745279393064 15.999 > 3 59 O 0.32724472688878 0.97161606912021 0.90745279393064 15.999 > 3 60 O 0.82724472688878 0.97161606912021 0.90745279393064 15.999 > 3 61 O 0.13828273578688 0.47770467556477 0.75921387273603 15.999 > 4 62 O 0.63828273578688 0.47770467556477 0.75921387273603 15.999 > 4 63 O 0.13828273578688 0.97770467556477 0.75921387273603 15.999 > 4 64 O 0.63828273578688 0.97770467556477 0.75921387273603 15.999 > 4 65 O 0.33942193977789 0.36171726421312 0.75921387273603 15.999 > 5 66 O 0.83942193977789 0.36171726421312 0.75921387273603 15.999 > 5 67 O 0.33942193977789 0.86171726421312 0.75921387273603 15.999 > 5 68 O 0.83942193977789 0.86171726421312 0.75921387273603 15.999 > 5 69 O 0.02229532443523 0.16057806022211 0.75921387273603 15.999 > 6 70 O 0.52229532443523 0.16057806022211 0.75921387273603 15.999 > 6 71 O 0.02229532443523 0.66057806022211 0.75921387273603 15.999 > 6 72 O 0.52229532443523 0.66057806022211 0.75921387273603 15.999 > 6 *73 Ti 0.00000000000000 0.00000000000000 0.14960009738588 47.867 > 7 74 Ti 0.50000000000000 0.00000000000000 0.14960009738588 47.867 > 7 75 Ti 0.00000000000000 0.50000000000000 0.14960009738588 47.867 > 7 76 Ti 0.50000000000000 0.50000000000000 0.14960009738588 47.867 > 7 77 Ti 0.33333333333333 0.16666666666667 0.18373323594745 47.867 > 8 78 Ti 0.83333333333333 0.16666666666667 0.18373323594745 47.867 > 8 79 Ti 0.33333333333333 0.66666666666667 0.18373323594745 47.867 > 8 80 Ti 0.83333333333333 0.66666666666667 0.18373323594745 47.867 > 8 81 Ti 0.33333333333333 0.16666666666667 0.48293343071921 47.867 > 7 82 Ti 0.83333333333333 0.16666666666667 0.48293343071921 47.867 > 7 83 Ti 0.33333333333333 0.66666666666667 0.48293343071921 47.867 > 7 84 Ti 0.83333333333333 0.66666666666667 0.48293343071921 47.867 > 7 85 Ti 0.16666666666667 0.33333333333333 0.51706656928079 47.867 > 8 86 Ti 0.66666666666667 0.33333333333333 0.51706656928079 47.867 > 8 87 Ti 0.16666666666667 0.83333333333333 0.51706656928079 47.867 > 8 88 Ti 0.66666666666667 0.83333333333333 0.51706656928079 47.867 > 8 89 Ti 0.16666666666667 0.33333333333333 0.81626676405255 47.867 > 7 90 Ti 0.66666666666667 0.33333333333333 0.81626676405255 47.867 > 7 91 Ti 0.16666666666667 0.83333333333333 0.81626676405255 47.867 > 7 92 Ti 0.66666666666667 0.83333333333333 0.81626676405255 47.867 > 7 93 Ti 0.00000000000000 0.00000000000000 0.85039990261412 47.867 > 8 94 Ti 0.50000000000000 0.00000000000000 0.85039990261412 47.867 > 8 95 Ti 0.00000000000000 0.50000000000000 0.85039990261412 47.867 > 8 96 Ti 0.50000000000000 0.50000000000000 0.85039990261412 47.867 > 8 *97 Cd 0.16666666666667 0.33333333333333 0.02996488675692 112.411 > 9 98 Cd 0.66666666666667 0.33333333333333 0.02996488675692 112.411 > 9 99 Cd 0.16666666666667 0.83333333333333 0.02996488675692 112.411 > 9 100 Cd 0.66666666666667 0.83333333333333 0.02996488675692 112.411 > 9 101 Cd 0.16666666666667 0.33333333333333 0.30336844657641 112.411 > 10 102 Cd 0.66666666666667 0.33333333333333 0.30336844657641 112.411 > 10 103 Cd 0.16666666666667 0.83333333333333 0.30336844657641 112.411 > 10 104 Cd 0.66666666666667 0.83333333333333 0.30336844657641 112.411 > 10 105 Cd 0.00000000000000 0.00000000000000 0.36329822009026 112.411 > 9 106 Cd 0.50000000000000 0.00000000000000 0.36329822009026 112.411 > 9 107 Cd 0.00000000000000 0.50000000000000 0.36329822009026 112.411 > 9 108 Cd 0.50000000000000 0.50000000000000 0.36329822009026 112.411 > 9 109 Cd 0.00000000000000 0.00000000000000 0.63670177990974 112.411 > 10 110 Cd 0.50000000000000 0.00000000000000 0.63670177990974 112.411 > 10 111 Cd 0.00000000000000 0.50000000000000 0.63670177990974 112.411 > 10 112 Cd 0.50000000000000 0.50000000000000 0.63670177990974 112.411 > 10 113 Cd 0.33333333333333 0.16666666666667 0.69663155342359 112.411 > 9 114 Cd 0.83333333333333 0.16666666666667 0.69663155342359 112.411 > 9 115 Cd 0.33333333333333 0.66666666666667 0.69663155342359 112.411 > 9 116 Cd 0.83333333333333 0.66666666666667 0.69663155342359 112.411 > 9 117 Cd 0.33333333333333 0.16666666666667 0.97003511324308 112.411 > 10 118 Cd 0.83333333333333 0.16666666666667 0.97003511324308 112.411 > 10 119 Cd 0.33333333333333 0.66666666666667 0.97003511324308 112.411 > 10 120 Cd 0.83333333333333 0.66666666666667 0.97003511324308 112.411 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0634834 -0.0000006 0.0000000 0.0000006 6.0634834 0.0000000 0.0000000 0.0000000 5.2735813 -------------------------- Born effective charges -------------------------- 1 O -2.9928056 0.9673258 0.0001266 1.0299937 -2.6125171 0.8286171 -0.0063336 0.7023725 -2.1618389 2 O -1.8427245 -0.3659941 -0.7176668 -0.3033262 -3.7625982 -0.4141989 -0.6051057 -0.3566714 -2.1618389 3 O -3.5724539 -0.6953335 0.7175402 -0.6326656 -2.0328688 -0.4144182 0.6114393 -0.3457012 -2.1618389 4 O -2.9928056 0.9673258 0.0001266 1.0299937 -2.6125171 0.8286171 -0.0063336 0.7023725 -2.1618389 5 O -3.5724539 -0.6953335 0.7175402 -0.6326656 -2.0328688 -0.4144182 0.6114393 -0.3457012 -2.1618389 6 O -1.8427245 -0.3659941 -0.7176668 -0.3033262 -3.7625982 -0.4141989 -0.6051057 -0.3566714 -2.1618389 7 Ti 5.8572231 0.0808216 -0.0000000 -0.0808216 5.8572231 -0.0000000 0.0000000 0.0000000 3.5604540 8 Ti 5.8572231 0.0808216 -0.0000000 -0.0808216 5.8572231 -0.0000000 0.0000000 0.0000000 3.5604540 9 Cd 2.5507609 0.0131802 -0.0000000 -0.0131802 2.5507609 -0.0000000 0.0000000 0.0000000 2.9250627 10 Cd 2.5507609 0.0131802 -0.0000000 -0.0131802 2.5507609 -0.0000000 0.0000000 0.0000000 2.9250627 ---------------------------------------------------------------------------- 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): 0.012 Solver_block: 100 / 240 - Time: 1.017 Solver_block: 200 / 240 - Time: 1.054 Solver_block: 240 / 240 - Time: 0.490 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.616 --------------------------------- 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 00:18:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:18:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 2.622534829961246 1.514121190037292 4.948560459999994 b -2.622534829961241 1.514121190037292 4.948560459999994 c 0.000000000000003 -3.028242380074588 4.948560459999994 Atomic positions (fractional): 1 O 0.96422065569021 0.56194224770820 0.19619547839351 15.999 2 O 0.19619547839351 0.96422065569021 0.56194224770820 15.999 3 O 0.56194224770820 0.19619547839351 0.96422065569021 15.999 4 O 0.03577934430979 0.43805775229180 0.80380452160650 15.999 5 O 0.43805775229180 0.80380452160649 0.03577934430979 15.999 6 O 0.80380452160649 0.03577934430979 0.43805775229180 15.999 7 Ti 0.14960009738588 0.14960009738588 0.14960009738588 47.867 8 Ti 0.85039990261412 0.85039990261412 0.85039990261412 47.867 9 Cd 0.36329822009026 0.36329822009026 0.36329822009026 112.411 10 Cd 0.63670177990974 0.63670177990974 0.63670177990974 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.490139319844975 0.000000000000000 0.000000000000000 b -5.245069659922488 9.084727140223761 0.000000000000000 c 0.000000000000000 0.000000000000000 14.845681379999998 Atomic positions (fractional): 1 O 0.36171726421312 0.02229532443523 0.24078612726397 15.999 > 1 2 O 0.86171726421312 0.02229532443523 0.24078612726397 15.999 > 1 3 O 0.36171726421312 0.52229532443523 0.24078612726397 15.999 > 1 4 O 0.86171726421312 0.52229532443523 0.24078612726397 15.999 > 1 5 O 0.47770467556477 0.33942193977789 0.24078612726397 15.999 > 5 6 O 0.97770467556477 0.33942193977789 0.24078612726397 15.999 > 5 7 O 0.47770467556477 0.83942193977789 0.24078612726397 15.999 > 5 8 O 0.97770467556477 0.83942193977789 0.24078612726397 15.999 > 5 9 O 0.16057806022211 0.13828273578688 0.24078612726397 15.999 > 9 10 O 0.66057806022211 0.13828273578688 0.24078612726397 15.999 > 9 11 O 0.16057806022211 0.63828273578688 0.24078612726397 15.999 > 9 12 O 0.66057806022211 0.63828273578688 0.24078612726397 15.999 > 9 13 O 0.47161606912021 0.14437134223143 0.09254720606936 15.999 > 13 14 O 0.97161606912021 0.14437134223143 0.09254720606936 15.999 > 13 15 O 0.47161606912021 0.64437134223143 0.09254720606936 15.999 > 13 16 O 0.97161606912021 0.64437134223143 0.09254720606936 15.999 > 13 17 O 0.17275527311122 0.02838393087978 0.09254720606936 15.999 > 17 18 O 0.67275527311122 0.02838393087978 0.09254720606936 15.999 > 17 19 O 0.17275527311122 0.52838393087978 0.09254720606936 15.999 > 17 20 O 0.67275527311122 0.52838393087978 0.09254720606936 15.999 > 17 21 O 0.35562865776857 0.32724472688878 0.09254720606936 15.999 > 21 22 O 0.85562865776857 0.32724472688878 0.09254720606936 15.999 > 21 23 O 0.35562865776857 0.82724472688878 0.09254720606936 15.999 > 21 24 O 0.85562865776857 0.82724472688878 0.09254720606936 15.999 > 21 25 O 0.19505059754645 0.18896199110190 0.57411946059731 15.999 > 1 26 O 0.69505059754645 0.18896199110190 0.57411946059731 15.999 > 1 27 O 0.19505059754645 0.68896199110190 0.57411946059731 15.999 > 1 28 O 0.69505059754645 0.68896199110190 0.57411946059731 15.999 > 1 29 O 0.31103800889810 0.00608860644455 0.57411946059731 15.999 > 5 30 O 0.81103800889810 0.00608860644455 0.57411946059731 15.999 > 5 31 O 0.31103800889810 0.50608860644455 0.57411946059731 15.999 > 5 32 O 0.81103800889810 0.50608860644455 0.57411946059731 15.999 > 5 33 O 0.49391139355545 0.30494940245355 0.57411946059731 15.999 > 9 34 O 0.99391139355545 0.30494940245355 0.57411946059731 15.999 > 9 35 O 0.49391139355545 0.80494940245355 0.57411946059731 15.999 > 9 36 O 0.99391139355545 0.80494940245355 0.57411946059731 15.999 > 9 37 O 0.30494940245355 0.31103800889810 0.42588053940269 15.999 > 13 38 O 0.80494940245355 0.31103800889810 0.42588053940269 15.999 > 13 39 O 0.30494940245355 0.81103800889810 0.42588053940269 15.999 > 13 40 O 0.80494940245355 0.81103800889810 0.42588053940269 15.999 > 13 41 O 0.00608860644455 0.19505059754645 0.42588053940269 15.999 > 17 42 O 0.50608860644455 0.19505059754645 0.42588053940269 15.999 > 17 43 O 0.00608860644455 0.69505059754645 0.42588053940269 15.999 > 17 44 O 0.50608860644455 0.69505059754645 0.42588053940269 15.999 > 17 45 O 0.18896199110190 0.49391139355545 0.42588053940269 15.999 > 21 46 O 0.68896199110190 0.49391139355545 0.42588053940269 15.999 > 21 47 O 0.18896199110190 0.99391139355545 0.42588053940269 15.999 > 21 48 O 0.68896199110190 0.99391139355545 0.42588053940269 15.999 > 21 49 O 0.02838393087978 0.35562865776857 0.90745279393064 15.999 > 1 50 O 0.52838393087978 0.35562865776857 0.90745279393064 15.999 > 1 51 O 0.02838393087978 0.85562865776857 0.90745279393064 15.999 > 1 52 O 0.52838393087978 0.85562865776857 0.90745279393064 15.999 > 1 53 O 0.14437134223143 0.17275527311122 0.90745279393064 15.999 > 5 54 O 0.64437134223143 0.17275527311122 0.90745279393064 15.999 > 5 55 O 0.14437134223143 0.67275527311122 0.90745279393064 15.999 > 5 56 O 0.64437134223143 0.67275527311122 0.90745279393064 15.999 > 5 57 O 0.32724472688878 0.47161606912021 0.90745279393064 15.999 > 9 58 O 0.82724472688878 0.47161606912021 0.90745279393064 15.999 > 9 59 O 0.32724472688878 0.97161606912021 0.90745279393064 15.999 > 9 60 O 0.82724472688878 0.97161606912021 0.90745279393064 15.999 > 9 61 O 0.13828273578688 0.47770467556477 0.75921387273603 15.999 > 13 62 O 0.63828273578688 0.47770467556477 0.75921387273603 15.999 > 13 63 O 0.13828273578688 0.97770467556477 0.75921387273603 15.999 > 13 64 O 0.63828273578688 0.97770467556477 0.75921387273603 15.999 > 13 65 O 0.33942193977789 0.36171726421312 0.75921387273603 15.999 > 17 66 O 0.83942193977789 0.36171726421312 0.75921387273603 15.999 > 17 67 O 0.33942193977789 0.86171726421312 0.75921387273603 15.999 > 17 68 O 0.83942193977789 0.86171726421312 0.75921387273603 15.999 > 17 69 O 0.02229532443523 0.16057806022211 0.75921387273603 15.999 > 21 70 O 0.52229532443523 0.16057806022211 0.75921387273603 15.999 > 21 71 O 0.02229532443523 0.66057806022211 0.75921387273603 15.999 > 21 72 O 0.52229532443523 0.66057806022211 0.75921387273603 15.999 > 21 73 Ti 0.00000000000000 0.00000000000000 0.14960009738588 47.867 > 73 74 Ti 0.50000000000000 0.00000000000000 0.14960009738588 47.867 > 73 75 Ti 0.00000000000000 0.50000000000000 0.14960009738588 47.867 > 73 76 Ti 0.50000000000000 0.50000000000000 0.14960009738588 47.867 > 73 77 Ti 0.33333333333333 0.16666666666667 0.18373323594745 47.867 > 77 78 Ti 0.83333333333333 0.16666666666667 0.18373323594745 47.867 > 77 79 Ti 0.33333333333333 0.66666666666667 0.18373323594745 47.867 > 77 80 Ti 0.83333333333333 0.66666666666667 0.18373323594745 47.867 > 77 81 Ti 0.33333333333333 0.16666666666667 0.48293343071921 47.867 > 73 82 Ti 0.83333333333333 0.16666666666667 0.48293343071921 47.867 > 73 83 Ti 0.33333333333333 0.66666666666667 0.48293343071921 47.867 > 73 84 Ti 0.83333333333333 0.66666666666667 0.48293343071921 47.867 > 73 85 Ti 0.16666666666667 0.33333333333333 0.51706656928079 47.867 > 77 86 Ti 0.66666666666667 0.33333333333333 0.51706656928079 47.867 > 77 87 Ti 0.16666666666667 0.83333333333333 0.51706656928079 47.867 > 77 88 Ti 0.66666666666667 0.83333333333333 0.51706656928079 47.867 > 77 89 Ti 0.16666666666667 0.33333333333333 0.81626676405255 47.867 > 73 90 Ti 0.66666666666667 0.33333333333333 0.81626676405255 47.867 > 73 91 Ti 0.16666666666667 0.83333333333333 0.81626676405255 47.867 > 73 92 Ti 0.66666666666667 0.83333333333333 0.81626676405255 47.867 > 73 93 Ti 0.00000000000000 0.00000000000000 0.85039990261412 47.867 > 77 94 Ti 0.50000000000000 0.00000000000000 0.85039990261412 47.867 > 77 95 Ti 0.00000000000000 0.50000000000000 0.85039990261412 47.867 > 77 96 Ti 0.50000000000000 0.50000000000000 0.85039990261412 47.867 > 77 97 Cd 0.16666666666667 0.33333333333333 0.02996488675692 112.411 > 97 98 Cd 0.66666666666667 0.33333333333333 0.02996488675692 112.411 > 97 99 Cd 0.16666666666667 0.83333333333333 0.02996488675692 112.411 > 97 100 Cd 0.66666666666667 0.83333333333333 0.02996488675692 112.411 > 97 101 Cd 0.16666666666667 0.33333333333333 0.30336844657641 112.411 > 101 102 Cd 0.66666666666667 0.33333333333333 0.30336844657641 112.411 > 101 103 Cd 0.16666666666667 0.83333333333333 0.30336844657641 112.411 > 101 104 Cd 0.66666666666667 0.83333333333333 0.30336844657641 112.411 > 101 105 Cd 0.00000000000000 0.00000000000000 0.36329822009026 112.411 > 97 106 Cd 0.50000000000000 0.00000000000000 0.36329822009026 112.411 > 97 107 Cd 0.00000000000000 0.50000000000000 0.36329822009026 112.411 > 97 108 Cd 0.50000000000000 0.50000000000000 0.36329822009026 112.411 > 97 109 Cd 0.00000000000000 0.00000000000000 0.63670177990974 112.411 > 101 110 Cd 0.50000000000000 0.00000000000000 0.63670177990974 112.411 > 101 111 Cd 0.00000000000000 0.50000000000000 0.63670177990974 112.411 > 101 112 Cd 0.50000000000000 0.50000000000000 0.63670177990974 112.411 > 101 113 Cd 0.33333333333333 0.16666666666667 0.69663155342359 112.411 > 97 114 Cd 0.83333333333333 0.16666666666667 0.69663155342359 112.411 > 97 115 Cd 0.33333333333333 0.66666666666667 0.69663155342359 112.411 > 97 116 Cd 0.83333333333333 0.66666666666667 0.69663155342359 112.411 > 97 117 Cd 0.33333333333333 0.16666666666667 0.97003511324308 112.411 > 101 118 Cd 0.83333333333333 0.16666666666667 0.97003511324308 112.411 > 101 119 Cd 0.33333333333333 0.66666666666667 0.97003511324308 112.411 > 101 120 Cd 0.83333333333333 0.66666666666667 0.97003511324308 112.411 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0634834 -0.0000006 0.0000000 0.0000006 6.0634834 0.0000000 0.0000000 0.0000000 5.2735813 -------------------------- Born effective charges -------------------------- 1 O -2.9928056 0.9673258 0.0001266 1.0299937 -2.6125171 0.8286171 -0.0063336 0.7023725 -2.1618389 2 O -1.8427245 -0.3659941 -0.7176668 -0.3033262 -3.7625982 -0.4141989 -0.6051057 -0.3566714 -2.1618389 3 O -3.5724539 -0.6953335 0.7175402 -0.6326656 -2.0328688 -0.4144182 0.6114393 -0.3457012 -2.1618389 4 O -2.9928056 0.9673258 0.0001266 1.0299937 -2.6125171 0.8286171 -0.0063336 0.7023725 -2.1618389 5 O -3.5724539 -0.6953335 0.7175402 -0.6326656 -2.0328688 -0.4144182 0.6114393 -0.3457012 -2.1618389 6 O -1.8427245 -0.3659941 -0.7176668 -0.3033262 -3.7625982 -0.4141989 -0.6051057 -0.3566714 -2.1618389 7 Ti 5.8572231 0.0808216 -0.0000000 -0.0808216 5.8572231 -0.0000000 0.0000000 0.0000000 3.5604540 8 Ti 5.8572231 0.0808216 -0.0000000 -0.0808216 5.8572231 -0.0000000 0.0000000 0.0000000 3.5604540 9 Cd 2.5507609 0.0131802 -0.0000000 -0.0131802 2.5507609 -0.0000000 0.0000000 0.0000000 2.9250627 10 Cd 2.5507609 0.0131802 -0.0000000 -0.0131802 2.5507609 -0.0000000 0.0000000 0.0000000 2.9250627 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (xyy) 0.00000007 (xyy) 0.00000007 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:18:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:18:16]------------------------- 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 2.622534829961246 1.514121190037292 4.948560459999994 b -2.622534829961241 1.514121190037292 4.948560459999994 c 0.000000000000003 -3.028242380074588 4.948560459999994 Atomic positions (fractional): 1 O 0.96422065569021 0.56194224770820 0.19619547839351 15.999 2 O 0.19619547839351 0.96422065569021 0.56194224770820 15.999 3 O 0.56194224770820 0.19619547839351 0.96422065569021 15.999 4 O 0.03577934430979 0.43805775229180 0.80380452160650 15.999 5 O 0.43805775229180 0.80380452160649 0.03577934430979 15.999 6 O 0.80380452160649 0.03577934430979 0.43805775229180 15.999 7 Ti 0.14960009738588 0.14960009738588 0.14960009738588 47.867 8 Ti 0.85039990261412 0.85039990261412 0.85039990261412 47.867 9 Cd 0.36329822009026 0.36329822009026 0.36329822009026 112.411 10 Cd 0.63670177990974 0.63670177990974 0.63670177990974 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.490139319844975 0.000000000000000 0.000000000000000 b -5.245069659922488 9.084727140223761 0.000000000000000 c 0.000000000000000 0.000000000000000 14.845681379999998 Atomic positions (fractional): 1 O 0.36171726421312 0.02229532443523 0.24078612726397 15.999 > 1 2 O 0.86171726421312 0.02229532443523 0.24078612726397 15.999 > 1 3 O 0.36171726421312 0.52229532443523 0.24078612726397 15.999 > 1 4 O 0.86171726421312 0.52229532443523 0.24078612726397 15.999 > 1 5 O 0.47770467556477 0.33942193977789 0.24078612726397 15.999 > 5 6 O 0.97770467556477 0.33942193977789 0.24078612726397 15.999 > 5 7 O 0.47770467556477 0.83942193977789 0.24078612726397 15.999 > 5 8 O 0.97770467556477 0.83942193977789 0.24078612726397 15.999 > 5 9 O 0.16057806022211 0.13828273578688 0.24078612726397 15.999 > 9 10 O 0.66057806022211 0.13828273578688 0.24078612726397 15.999 > 9 11 O 0.16057806022211 0.63828273578688 0.24078612726397 15.999 > 9 12 O 0.66057806022211 0.63828273578688 0.24078612726397 15.999 > 9 13 O 0.47161606912021 0.14437134223143 0.09254720606936 15.999 > 13 14 O 0.97161606912021 0.14437134223143 0.09254720606936 15.999 > 13 15 O 0.47161606912021 0.64437134223143 0.09254720606936 15.999 > 13 16 O 0.97161606912021 0.64437134223143 0.09254720606936 15.999 > 13 17 O 0.17275527311122 0.02838393087978 0.09254720606936 15.999 > 17 18 O 0.67275527311122 0.02838393087978 0.09254720606936 15.999 > 17 19 O 0.17275527311122 0.52838393087978 0.09254720606936 15.999 > 17 20 O 0.67275527311122 0.52838393087978 0.09254720606936 15.999 > 17 21 O 0.35562865776857 0.32724472688878 0.09254720606936 15.999 > 21 22 O 0.85562865776857 0.32724472688878 0.09254720606936 15.999 > 21 23 O 0.35562865776857 0.82724472688878 0.09254720606936 15.999 > 21 24 O 0.85562865776857 0.82724472688878 0.09254720606936 15.999 > 21 25 O 0.19505059754645 0.18896199110190 0.57411946059731 15.999 > 1 26 O 0.69505059754645 0.18896199110190 0.57411946059731 15.999 > 1 27 O 0.19505059754645 0.68896199110190 0.57411946059731 15.999 > 1 28 O 0.69505059754645 0.68896199110190 0.57411946059731 15.999 > 1 29 O 0.31103800889810 0.00608860644455 0.57411946059731 15.999 > 5 30 O 0.81103800889810 0.00608860644455 0.57411946059731 15.999 > 5 31 O 0.31103800889810 0.50608860644455 0.57411946059731 15.999 > 5 32 O 0.81103800889810 0.50608860644455 0.57411946059731 15.999 > 5 33 O 0.49391139355545 0.30494940245355 0.57411946059731 15.999 > 9 34 O 0.99391139355545 0.30494940245355 0.57411946059731 15.999 > 9 35 O 0.49391139355545 0.80494940245355 0.57411946059731 15.999 > 9 36 O 0.99391139355545 0.80494940245355 0.57411946059731 15.999 > 9 37 O 0.30494940245355 0.31103800889810 0.42588053940269 15.999 > 13 38 O 0.80494940245355 0.31103800889810 0.42588053940269 15.999 > 13 39 O 0.30494940245355 0.81103800889810 0.42588053940269 15.999 > 13 40 O 0.80494940245355 0.81103800889810 0.42588053940269 15.999 > 13 41 O 0.00608860644455 0.19505059754645 0.42588053940269 15.999 > 17 42 O 0.50608860644455 0.19505059754645 0.42588053940269 15.999 > 17 43 O 0.00608860644455 0.69505059754645 0.42588053940269 15.999 > 17 44 O 0.50608860644455 0.69505059754645 0.42588053940269 15.999 > 17 45 O 0.18896199110190 0.49391139355545 0.42588053940269 15.999 > 21 46 O 0.68896199110190 0.49391139355545 0.42588053940269 15.999 > 21 47 O 0.18896199110190 0.99391139355545 0.42588053940269 15.999 > 21 48 O 0.68896199110190 0.99391139355545 0.42588053940269 15.999 > 21 49 O 0.02838393087978 0.35562865776857 0.90745279393064 15.999 > 1 50 O 0.52838393087978 0.35562865776857 0.90745279393064 15.999 > 1 51 O 0.02838393087978 0.85562865776857 0.90745279393064 15.999 > 1 52 O 0.52838393087978 0.85562865776857 0.90745279393064 15.999 > 1 53 O 0.14437134223143 0.17275527311122 0.90745279393064 15.999 > 5 54 O 0.64437134223143 0.17275527311122 0.90745279393064 15.999 > 5 55 O 0.14437134223143 0.67275527311122 0.90745279393064 15.999 > 5 56 O 0.64437134223143 0.67275527311122 0.90745279393064 15.999 > 5 57 O 0.32724472688878 0.47161606912021 0.90745279393064 15.999 > 9 58 O 0.82724472688878 0.47161606912021 0.90745279393064 15.999 > 9 59 O 0.32724472688878 0.97161606912021 0.90745279393064 15.999 > 9 60 O 0.82724472688878 0.97161606912021 0.90745279393064 15.999 > 9 61 O 0.13828273578688 0.47770467556477 0.75921387273603 15.999 > 13 62 O 0.63828273578688 0.47770467556477 0.75921387273603 15.999 > 13 63 O 0.13828273578688 0.97770467556477 0.75921387273603 15.999 > 13 64 O 0.63828273578688 0.97770467556477 0.75921387273603 15.999 > 13 65 O 0.33942193977789 0.36171726421312 0.75921387273603 15.999 > 17 66 O 0.83942193977789 0.36171726421312 0.75921387273603 15.999 > 17 67 O 0.33942193977789 0.86171726421312 0.75921387273603 15.999 > 17 68 O 0.83942193977789 0.86171726421312 0.75921387273603 15.999 > 17 69 O 0.02229532443523 0.16057806022211 0.75921387273603 15.999 > 21 70 O 0.52229532443523 0.16057806022211 0.75921387273603 15.999 > 21 71 O 0.02229532443523 0.66057806022211 0.75921387273603 15.999 > 21 72 O 0.52229532443523 0.66057806022211 0.75921387273603 15.999 > 21 73 Ti 0.00000000000000 0.00000000000000 0.14960009738588 47.867 > 73 74 Ti 0.50000000000000 0.00000000000000 0.14960009738588 47.867 > 73 75 Ti 0.00000000000000 0.50000000000000 0.14960009738588 47.867 > 73 76 Ti 0.50000000000000 0.50000000000000 0.14960009738588 47.867 > 73 77 Ti 0.33333333333333 0.16666666666667 0.18373323594745 47.867 > 77 78 Ti 0.83333333333333 0.16666666666667 0.18373323594745 47.867 > 77 79 Ti 0.33333333333333 0.66666666666667 0.18373323594745 47.867 > 77 80 Ti 0.83333333333333 0.66666666666667 0.18373323594745 47.867 > 77 81 Ti 0.33333333333333 0.16666666666667 0.48293343071921 47.867 > 73 82 Ti 0.83333333333333 0.16666666666667 0.48293343071921 47.867 > 73 83 Ti 0.33333333333333 0.66666666666667 0.48293343071921 47.867 > 73 84 Ti 0.83333333333333 0.66666666666667 0.48293343071921 47.867 > 73 85 Ti 0.16666666666667 0.33333333333333 0.51706656928079 47.867 > 77 86 Ti 0.66666666666667 0.33333333333333 0.51706656928079 47.867 > 77 87 Ti 0.16666666666667 0.83333333333333 0.51706656928079 47.867 > 77 88 Ti 0.66666666666667 0.83333333333333 0.51706656928079 47.867 > 77 89 Ti 0.16666666666667 0.33333333333333 0.81626676405255 47.867 > 73 90 Ti 0.66666666666667 0.33333333333333 0.81626676405255 47.867 > 73 91 Ti 0.16666666666667 0.83333333333333 0.81626676405255 47.867 > 73 92 Ti 0.66666666666667 0.83333333333333 0.81626676405255 47.867 > 73 93 Ti 0.00000000000000 0.00000000000000 0.85039990261412 47.867 > 77 94 Ti 0.50000000000000 0.00000000000000 0.85039990261412 47.867 > 77 95 Ti 0.00000000000000 0.50000000000000 0.85039990261412 47.867 > 77 96 Ti 0.50000000000000 0.50000000000000 0.85039990261412 47.867 > 77 97 Cd 0.16666666666667 0.33333333333333 0.02996488675692 112.411 > 97 98 Cd 0.66666666666667 0.33333333333333 0.02996488675692 112.411 > 97 99 Cd 0.16666666666667 0.83333333333333 0.02996488675692 112.411 > 97 100 Cd 0.66666666666667 0.83333333333333 0.02996488675692 112.411 > 97 101 Cd 0.16666666666667 0.33333333333333 0.30336844657641 112.411 > 101 102 Cd 0.66666666666667 0.33333333333333 0.30336844657641 112.411 > 101 103 Cd 0.16666666666667 0.83333333333333 0.30336844657641 112.411 > 101 104 Cd 0.66666666666667 0.83333333333333 0.30336844657641 112.411 > 101 105 Cd 0.00000000000000 0.00000000000000 0.36329822009026 112.411 > 97 106 Cd 0.50000000000000 0.00000000000000 0.36329822009026 112.411 > 97 107 Cd 0.00000000000000 0.50000000000000 0.36329822009026 112.411 > 97 108 Cd 0.50000000000000 0.50000000000000 0.36329822009026 112.411 > 97 109 Cd 0.00000000000000 0.00000000000000 0.63670177990974 112.411 > 101 110 Cd 0.50000000000000 0.00000000000000 0.63670177990974 112.411 > 101 111 Cd 0.00000000000000 0.50000000000000 0.63670177990974 112.411 > 101 112 Cd 0.50000000000000 0.50000000000000 0.63670177990974 112.411 > 101 113 Cd 0.33333333333333 0.16666666666667 0.69663155342359 112.411 > 97 114 Cd 0.83333333333333 0.16666666666667 0.69663155342359 112.411 > 97 115 Cd 0.33333333333333 0.66666666666667 0.69663155342359 112.411 > 97 116 Cd 0.83333333333333 0.66666666666667 0.69663155342359 112.411 > 97 117 Cd 0.33333333333333 0.16666666666667 0.97003511324308 112.411 > 101 118 Cd 0.83333333333333 0.16666666666667 0.97003511324308 112.411 > 101 119 Cd 0.33333333333333 0.66666666666667 0.97003511324308 112.411 > 101 120 Cd 0.83333333333333 0.66666666666667 0.97003511324308 112.411 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0634834 -0.0000006 0.0000000 0.0000006 6.0634834 0.0000000 0.0000000 0.0000000 5.2735813 -------------------------- Born effective charges -------------------------- 1 O -2.9928056 0.9673258 0.0001266 1.0299937 -2.6125171 0.8286171 -0.0063336 0.7023725 -2.1618389 2 O -1.8427245 -0.3659941 -0.7176668 -0.3033262 -3.7625982 -0.4141989 -0.6051057 -0.3566714 -2.1618389 3 O -3.5724539 -0.6953335 0.7175402 -0.6326656 -2.0328688 -0.4144182 0.6114393 -0.3457012 -2.1618389 4 O -2.9928056 0.9673258 0.0001266 1.0299937 -2.6125171 0.8286171 -0.0063336 0.7023725 -2.1618389 5 O -3.5724539 -0.6953335 0.7175402 -0.6326656 -2.0328688 -0.4144182 0.6114393 -0.3457012 -2.1618389 6 O -1.8427245 -0.3659941 -0.7176668 -0.3033262 -3.7625982 -0.4141989 -0.6051057 -0.3566714 -2.1618389 7 Ti 5.8572231 0.0808216 -0.0000000 -0.0808216 5.8572231 -0.0000000 0.0000000 0.0000000 3.5604540 8 Ti 5.8572231 0.0808216 -0.0000000 -0.0808216 5.8572231 -0.0000000 0.0000000 0.0000000 3.5604540 9 Cd 2.5507609 0.0131802 -0.0000000 -0.0131802 2.5507609 -0.0000000 0.0000000 0.0000000 2.9250627 10 Cd 2.5507609 0.0131802 -0.0000000 -0.0131802 2.5507609 -0.0000000 0.0000000 0.0000000 2.9250627 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (xyy) 0.00000007 (xyy) 0.00000007 (xyy) 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 ... [ 12 12 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.85, Number of G-points: 297, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 6.453 ( 0.000 0.000 0.000) 0.000 7.020 ( 0.000 0.000 0.000) 0.000 7.020 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 9.383 ( 0.000 0.000 0.000) 0.000 9.383 ( 0.000 0.000 0.000) 0.000 9.732 ( 0.000 0.000 0.000) 0.000 10.654 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 13.414 ( 0.000 0.000 0.000) 0.000 13.553 ( 0.000 0.000 0.000) 0.000 13.553 ( 0.000 0.000 0.000) 0.000 14.472 ( 0.000 0.000 0.000) 0.000 14.535 ( 0.000 0.000 0.000) 0.000 14.535 ( 0.000 0.000 0.000) 0.000 17.685 ( 0.000 0.000 0.000) 0.000 17.685 ( 0.000 0.000 0.000) 0.000 20.036 ( 0.000 0.000 0.000) 0.000 20.283 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 17.853 10.408 18.842) 27.965 0.607 ( 20.014 29.262 2.578) 35.546 1.311 ( 60.297 26.600 12.392) 67.059 3.312 ( -2.890 -1.633 -2.970) 4.454 4.064 ( -7.563 -4.697 -4.516) 9.983 4.141 ( -2.396 -2.427 2.202) 4.060 5.088 ( -1.926 -4.197 -4.106) 6.179 5.282 ( 3.437 3.497 -3.520) 6.036 5.439 ( -12.517 -6.234 24.579) 28.278 6.486 ( 3.043 1.726 -1.440) 3.783 7.040 ( -0.622 8.115 -4.132) 9.128 7.072 ( 5.533 -1.418 3.854) 6.891 8.195 ( 1.668 -3.414 3.357) 5.070 9.303 ( 0.063 -4.321 0.409) 4.341 9.382 ( 3.644 -4.667 -3.516) 6.887 9.479 ( 0.867 15.104 -3.795) 15.598 9.671 ( -5.262 -2.136 1.303) 5.827 10.642 ( -1.506 -0.452 -0.439) 1.633 11.575 ( -1.028 -1.136 -6.243) 6.428 12.925 ( -0.804 -0.570 -16.674) 16.703 13.389 ( -3.224 -2.462 -3.428) 5.311 13.443 ( -11.973 2.549 -1.971) 12.399 13.566 ( 4.427 -1.686 -2.582) 5.395 14.456 ( -2.822 -6.744 11.126) 13.313 14.637 ( 8.930 3.332 2.773) 9.927 17.628 ( -5.455 2.304 -7.934) 9.900 17.730 ( 4.425 1.643 0.474) 4.744 19.824 ( 23.037 9.869 -75.351) 79.409 20.260 ( -2.211 -1.460 1.210) 2.913 21.538 ( -2.947 -1.342 10.281) 10.779 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 17.659 10.043 17.546) 26.843 1.192 ( 18.716 28.114 1.452) 33.805 2.463 ( 45.009 17.654 10.605) 49.497 3.232 ( -0.379 0.183 -3.171) 3.198 3.840 ( -8.466 -6.385 -5.972) 12.170 4.076 ( -4.790 -2.453 3.393) 6.362 4.928 ( -5.789 -8.611 -6.976) 12.503 5.305 ( -8.158 -5.089 7.503) 12.196 5.410 ( 5.659 6.710 6.575) 10.967 6.544 ( 3.212 1.996 -3.072) 4.872 7.096 ( -1.909 13.069 -5.737) 14.400 7.190 ( 7.670 -3.020 6.710) 10.629 8.213 ( 3.695 -5.079 2.699) 6.836 9.264 ( -4.231 -1.211 4.302) 6.155 9.370 ( 5.932 -7.993 -6.666) 11.979 9.424 ( -10.848 -4.402 -2.062) 11.887 9.764 ( 4.052 18.644 5.464) 19.846 10.596 ( -2.531 -1.340 -1.500) 3.233 11.501 ( -0.673 -0.547 -10.821) 10.856 12.784 ( -5.688 -5.796 -2.988) 8.653 13.171 ( -13.594 -0.769 -8.419) 16.008 13.297 ( -9.309 0.307 -1.452) 9.426 13.626 ( 3.897 -1.827 2.449) 4.952 14.389 ( -3.442 -12.150 14.533) 19.253 14.872 ( 11.735 6.250 4.520) 14.043 17.483 ( -7.935 3.554 -13.390) 15.965 17.854 ( 7.479 3.000 1.389) 8.177 19.836 ( 10.247 1.658 -37.019) 38.447 20.219 ( -0.501 -2.157 0.369) 2.245 21.530 ( -2.893 -0.756 6.095) 6.789 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 17.302 9.504 15.093) 24.849 1.712 ( 14.651 24.973 -0.213) 28.955 2.828 ( -1.686 -4.463 -0.735) 4.827 3.407 ( 4.777 -3.528 -1.421) 6.107 3.769 ( 9.706 4.262 2.448) 10.880 3.994 ( -6.946 3.666 2.642) 8.286 4.733 ( 0.252 -10.644 -6.452) 12.450 5.196 ( -2.424 -4.086 3.011) 5.624 5.684 ( 12.987 13.308 8.871) 20.602 6.563 ( -0.811 -0.208 -3.962) 4.049 7.131 ( -3.254 9.459 -2.320) 10.268 7.345 ( 9.150 0.742 5.554) 10.729 8.262 ( 6.403 -3.079 -0.508) 7.123 9.143 ( -11.385 -7.491 1.966) 13.769 9.189 ( -9.785 -2.621 -0.486) 10.142 9.360 ( 5.843 -6.078 -6.957) 10.930 10.049 ( 2.630 18.539 7.970) 20.350 10.532 ( -1.377 -1.856 -0.998) 2.517 11.442 ( 1.406 1.546 -12.794) 12.964 12.625 ( -5.602 -5.930 -0.623) 8.182 12.911 ( -11.998 -0.161 -8.296) 14.587 13.130 ( -10.786 -0.122 0.050) 10.787 13.639 ( -3.522 -5.618 9.687) 11.739 14.307 ( -0.723 -12.458 10.900) 16.569 15.158 ( 12.204 7.309 6.283) 15.551 17.307 ( -7.412 3.224 -15.866) 17.806 18.029 ( 8.699 4.113 2.833) 10.031 19.743 ( -0.291 -2.455 -22.006) 22.145 20.219 ( 3.752 -2.791 -3.101) 5.611 21.499 ( -3.780 -0.636 4.276) 5.743 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 15.505 9.127 10.745) 20.956 2.078 ( 7.140 16.648 -1.027) 18.144 2.733 ( -2.687 -1.323 0.088) 2.997 3.261 ( -5.593 -9.993 -4.685) 12.373 3.800 ( -2.380 -9.080 0.881) 9.428 3.976 ( -11.074 9.741 -0.300) 14.752 4.715 ( 5.933 -5.454 -2.329) 8.389 5.250 ( 9.612 -1.494 7.171) 12.085 6.187 ( 24.152 19.728 7.792) 32.144 6.431 ( -8.682 -6.073 -5.647) 12.006 7.184 ( 0.676 8.533 0.685) 8.588 7.547 ( 9.455 3.637 4.611) 11.130 8.338 ( 6.007 -0.611 -3.395) 6.927 8.881 ( -11.188 -8.983 0.409) 14.354 8.999 ( -10.337 -3.794 -1.119) 11.068 9.360 ( 3.427 -3.044 -5.162) 6.904 10.153 ( -7.353 3.549 3.506) 8.885 10.593 ( 5.674 6.663 3.736) 9.516 11.434 ( 3.200 3.076 -11.454) 12.284 12.514 ( -2.131 0.218 -5.739) 6.125 12.712 ( -7.479 -1.293 -3.538) 8.374 12.968 ( -10.357 0.649 2.287) 10.627 13.500 ( -11.620 -12.897 15.143) 23.036 14.279 ( 2.920 -7.332 4.683) 9.177 15.451 ( 11.109 6.620 7.662) 15.031 17.137 ( -5.598 1.629 -15.409) 16.475 18.228 ( 8.293 4.873 4.333) 10.550 19.559 ( -5.293 -4.100 -14.871) 16.309 20.233 ( 3.900 -3.478 -3.991) 6.576 21.451 ( -3.819 -0.423 2.760) 4.731 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 1.567 8.446 -0.675) 8.617 2.316 ( 13.161 3.334 7.294) 15.412 2.736 ( -1.957 6.374 0.957) 6.736 3.046 ( -6.552 -9.708 -4.604) 12.585 3.692 ( 0.585 -8.423 -0.607) 8.465 3.837 ( -11.199 5.034 -2.119) 12.460 4.718 ( 0.807 -2.143 -1.250) 2.609 5.498 ( 12.784 2.793 10.634) 16.862 6.141 ( -12.773 -8.775 -7.517) 17.224 6.805 ( 24.190 15.354 5.243) 29.127 7.284 ( 0.737 6.729 -0.036) 6.769 7.745 ( 7.280 3.872 4.892) 9.588 8.390 ( 3.335 0.345 -3.796) 5.065 8.616 ( -11.777 -7.976 -2.361) 14.419 8.828 ( -5.193 -3.484 0.545) 6.278 9.349 ( 0.777 -1.582 -2.791) 3.301 10.033 ( -6.788 -2.115 0.444) 7.124 10.767 ( 3.906 5.784 3.884) 7.987 11.455 ( 2.266 2.153 -6.374) 7.099 12.497 ( 2.630 5.495 -13.990) 15.259 12.625 ( -2.248 -0.713 3.820) 4.489 12.854 ( -7.091 2.490 3.347) 8.227 13.246 ( -12.072 -15.427 13.073) 23.550 14.298 ( 2.486 -2.915 1.538) 4.129 15.694 ( 7.272 4.215 6.408) 10.569 16.996 ( -3.365 0.114 -10.671) 11.189 18.415 ( 6.014 4.210 4.367) 8.542 19.361 ( -5.324 -3.776 -9.294) 11.357 20.233 ( 2.007 -2.534 -2.527) 4.103 21.409 ( -2.393 -0.172 1.339) 2.748 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 -0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 5.782 ( 0.000 0.000 0.000) 0.000 5.834 ( -0.000 -0.000 -0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.284 ( 0.000 0.000 0.000) 0.000 7.862 ( 0.000 0.000 0.000) 0.000 8.413 ( -0.000 -0.000 0.000) 0.000 8.430 ( 0.000 0.000 -0.000) 0.000 8.776 ( 0.000 -0.000 0.000) 0.000 9.336 ( 0.000 0.000 0.000) 0.000 9.964 ( 0.000 0.000 0.000) 0.000 10.838 ( 0.000 0.000 0.000) 0.000 11.465 ( 0.000 0.000 0.000) 0.000 12.506 ( 0.000 0.000 0.000) 0.000 12.633 ( -0.000 -0.000 0.000) 0.000 12.834 ( 0.000 0.000 -0.000) 0.000 13.077 ( 0.000 0.000 0.000) 0.000 14.310 ( 0.000 0.000 0.000) 0.000 15.796 ( 0.000 0.000 0.000) 0.000 16.935 ( 0.000 0.000 0.000) 0.000 18.505 ( 0.000 -0.000 0.000) 0.000 19.264 ( 0.000 0.000 0.000) 0.000 20.229 ( 0.000 0.000 0.000) 0.000 21.392 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 22.041 30.677 7.714) 38.554 0.721 ( 5.229 18.423 32.424) 37.657 1.347 ( -13.371 59.474 17.981) 63.555 3.291 ( 0.110 -3.450 -4.400) 5.592 4.040 ( 0.703 -8.452 -7.116) 11.071 4.133 ( -3.261 -3.944 0.902) 5.197 5.105 ( -4.798 -2.230 -0.460) 5.311 5.239 ( 4.354 6.134 -4.942) 9.001 5.594 ( -0.448 -28.281 31.296) 42.184 6.480 ( -0.048 3.919 -2.110) 4.451 7.029 ( 8.267 1.729 -0.830) 8.487 7.124 ( -1.682 7.239 5.013) 8.964 8.177 ( -7.414 -1.903 1.431) 7.787 9.138 ( -2.263 0.796 -15.135) 15.324 9.429 ( -0.808 4.229 1.205) 4.471 9.521 ( 8.673 7.195 0.558) 11.283 9.676 ( 1.402 -6.085 1.874) 6.519 10.641 ( 0.945 -2.049 -0.834) 2.406 11.620 ( -1.076 2.144 -1.202) 2.683 12.656 ( 2.134 8.863 -38.456) 39.521 13.390 ( 0.659 -2.354 -1.791) 3.030 13.474 ( -2.581 -9.209 2.103) 9.792 13.656 ( 6.399 8.916 1.009) 11.021 14.466 ( -2.322 -9.204 11.518) 14.926 14.643 ( -8.231 8.732 4.362) 12.768 17.642 ( -0.852 -1.903 -4.450) 4.914 17.720 ( 9.285 5.266 -2.498) 10.962 19.337 ( -6.330 61.567 -94.939) 113.332 20.262 ( -0.103 -1.994 -0.238) 2.011 21.535 ( 0.203 -9.823 6.805) 11.952 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 4.781 19.881 26.281) 33.299 1.293 ( 11.228 27.327 17.032) 34.101 2.107 ( 30.979 41.017 9.286) 52.234 3.220 ( -1.169 -2.071 -4.382) 4.986 3.864 ( -6.307 -7.629 -10.382) 14.344 4.042 ( -0.300 -8.649 0.975) 8.709 4.950 ( -8.691 -3.766 -5.625) 11.016 5.370 ( 3.431 -2.713 0.160) 4.377 5.434 ( -3.991 -8.110 16.982) 19.238 6.521 ( 1.608 4.869 -2.804) 5.845 7.157 ( 1.447 3.992 6.191) 7.507 7.227 ( 1.809 10.123 2.405) 10.560 8.097 ( 1.843 -4.978 -2.668) 5.941 9.127 ( 7.015 -3.353 -9.049) 11.930 9.418 ( -6.387 3.454 3.410) 8.022 9.497 ( -6.701 -8.441 -0.576) 10.793 9.836 ( 10.521 8.543 7.582) 15.529 10.618 ( -1.353 -1.258 -1.287) 2.252 11.525 ( -8.506 5.020 -7.853) 12.618 12.649 ( 8.288 -5.649 -16.812) 19.577 13.240 ( -8.312 -7.098 -6.125) 12.530 13.475 ( 8.849 -7.999 3.509) 12.435 13.646 ( -18.357 11.921 4.154) 22.279 14.382 ( -3.935 -15.460 16.060) 22.637 14.772 ( 10.432 9.402 1.975) 14.181 17.554 ( -3.726 -0.647 -9.908) 10.605 17.874 ( 1.011 9.900 3.928) 10.699 19.433 ( 13.750 25.838 -58.132) 65.085 20.223 ( -1.695 -2.829 0.050) 3.299 21.501 ( 2.779 -9.113 2.921) 9.965 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 4.966 17.109 24.747) 30.493 1.787 ( 9.840 28.261 7.846) 30.937 2.746 ( 9.373 2.708 1.128) 9.821 3.293 ( 8.194 5.441 -0.294) 9.841 3.703 ( 2.461 1.579 -2.762) 4.022 3.983 ( 4.741 -7.394 -2.387) 9.102 4.702 ( -11.582 -6.252 -7.034) 14.923 5.221 ( -4.856 -9.032 2.564) 10.570 5.652 ( 11.410 9.461 10.072) 17.921 6.569 ( -0.158 3.777 -2.315) 4.433 7.213 ( -1.534 0.168 8.279) 8.421 7.377 ( 1.804 14.651 -0.034) 14.762 8.113 ( 7.049 -3.041 -3.074) 8.269 9.153 ( 6.088 -5.868 -7.731) 11.457 9.256 ( -10.898 -10.062 0.394) 14.838 9.348 ( -8.531 3.821 2.250) 9.614 10.150 ( 11.234 9.696 9.300) 17.513 10.550 ( -4.762 -2.089 -0.932) 5.283 11.406 ( -4.557 5.216 -12.002) 13.857 12.591 ( 0.900 -7.341 -6.044) 9.552 12.998 ( -8.542 -6.402 -8.157) 13.434 13.443 ( -20.629 8.528 6.483) 23.245 13.583 ( 8.458 -6.368 3.998) 11.317 14.240 ( -4.192 -22.105 19.310) 29.650 15.081 ( 13.204 11.473 2.749) 17.707 17.396 ( -8.194 3.338 -15.687) 18.010 18.024 ( 2.647 10.946 6.102) 12.808 19.510 ( 9.134 7.988 -36.579) 38.539 20.171 ( -1.025 -2.611 -0.252) 2.817 21.475 ( 2.661 -8.715 0.434) 9.122 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 6.874 13.552 19.160) 24.454 2.175 ( 4.315 23.265 0.787) 23.675 2.738 ( -0.865 -3.469 0.784) 3.660 3.233 ( -5.189 -7.395 -5.521) 10.588 3.749 ( -1.466 -8.786 0.874) 8.950 4.199 ( 5.131 11.162 2.081) 12.459 4.462 ( 3.475 -9.239 -7.643) 12.484 5.151 ( 3.297 -3.858 3.771) 6.323 6.072 ( 19.062 17.158 8.349) 26.971 6.499 ( -8.314 -3.074 -2.207) 9.135 7.253 ( 0.471 3.521 7.142) 7.977 7.557 ( 3.495 14.605 1.266) 15.071 8.216 ( 7.763 1.889 -3.484) 8.716 8.979 ( -10.621 -9.702 -0.354) 14.389 9.080 ( -4.982 -8.285 -2.779) 10.059 9.303 ( -2.001 5.659 -2.621) 6.550 10.347 ( -9.021 2.794 3.939) 10.232 10.504 ( 10.367 -2.085 3.640) 11.184 11.356 ( 0.870 5.231 -12.134) 13.242 12.503 ( -1.184 -3.303 -5.980) 6.934 12.785 ( -6.870 -4.267 -4.251) 9.136 13.240 ( -17.766 7.126 5.523) 19.922 13.608 ( -3.660 -9.939 10.328) 14.793 14.111 ( 3.756 -23.021 16.214) 28.407 15.409 ( 11.345 12.807 3.751) 17.516 17.199 ( -9.011 4.723 -16.873) 19.702 18.221 ( 4.671 10.787 6.876) 13.618 19.457 ( 1.664 0.131 -24.373) 24.430 20.151 ( 1.468 -1.683 -1.138) 2.507 21.428 ( 1.858 -8.461 -1.326) 8.763 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 8.709 8.537 12.363) 17.366 2.309 ( -5.768 11.328 -2.109) 12.886 2.784 ( 3.430 4.825 2.988) 6.631 3.043 ( -6.417 -6.919 -4.593) 10.495 3.619 ( -1.874 -9.377 -1.153) 9.632 4.077 ( -14.509 3.436 -1.553) 14.991 4.577 ( 10.648 -5.148 -4.978) 12.833 5.334 ( 15.278 0.332 9.644) 18.070 6.209 ( -11.776 -10.907 -5.822) 17.074 6.650 ( 20.016 19.514 7.504) 28.944 7.362 ( 0.542 8.372 4.616) 9.575 7.762 ( 4.094 13.176 3.526) 14.240 8.321 ( 4.351 3.427 -4.130) 6.909 8.738 ( -11.395 -5.875 -0.533) 12.832 8.882 ( -6.397 -7.757 0.121) 10.055 9.321 ( 0.093 4.175 -4.253) 5.961 10.159 ( -11.350 -2.822 0.395) 11.702 10.682 ( 9.663 -4.883 3.303) 11.320 11.382 ( 3.691 3.603 -7.957) 9.482 12.429 ( 0.470 -0.394 -11.071) 11.088 12.678 ( -2.925 0.397 0.206) 2.959 13.082 ( -13.559 6.392 5.844) 16.089 13.395 ( -14.377 -16.110 14.419) 25.964 14.129 ( 10.092 -16.884 10.850) 22.464 15.698 ( 7.031 12.733 2.654) 14.786 17.028 ( -6.506 4.353 -12.811) 15.013 18.426 ( 3.771 9.501 6.255) 11.984 19.324 ( -1.777 -2.054 -15.793) 16.025 20.170 ( 2.704 -0.363 -0.611) 2.796 21.369 ( 1.933 -8.176 -2.786) 8.851 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -8.042 3.792 0.786) 8.926 2.428 ( 8.724 2.669 5.590) 10.700 2.832 ( -9.201 -6.973 -5.254) 12.684 2.903 ( 1.480 8.858 1.567) 9.116 3.568 ( 4.557 -5.082 1.913) 7.090 3.905 ( -10.866 4.547 -0.534) 11.792 4.629 ( 6.001 -3.735 -4.516) 8.388 5.672 ( 16.953 2.818 10.394) 20.084 5.867 ( -11.924 -11.384 -7.588) 18.148 7.083 ( 10.978 6.767 5.080) 13.861 7.413 ( -7.197 8.836 -0.370) 11.402 7.927 ( -1.374 9.317 2.014) 9.631 8.369 ( 2.155 1.382 -3.364) 4.227 8.510 ( -7.767 -2.877 2.619) 8.687 8.805 ( -1.455 1.019 1.762) 2.502 9.332 ( 0.415 3.233 -3.479) 4.768 10.001 ( -5.318 -1.253 0.070) 5.464 10.737 ( 5.633 -11.062 -0.617) 12.429 11.429 ( 3.168 -0.137 -1.532) 3.522 12.411 ( 5.455 0.232 -10.352) 11.703 12.669 ( -1.520 3.357 -0.747) 3.760 12.975 ( -12.533 -2.623 12.690) 18.027 13.125 ( -7.603 -3.961 2.544) 8.943 14.196 ( 8.451 -13.718 8.630) 18.278 15.857 ( -1.411 11.013 -3.653) 11.688 16.956 ( -1.378 4.090 -2.303) 4.892 18.541 ( -1.527 4.362 1.685) 4.919 19.243 ( 1.507 1.078 -5.310) 5.624 20.222 ( 2.465 2.119 1.369) 3.527 21.316 ( 3.327 -7.977 -4.222) 9.619 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -6.598 -1.023 3.416) 7.500 2.487 ( -13.671 -1.841 -4.338) 14.460 2.613 ( 3.653 -5.236 -1.563) 6.573 3.058 ( 5.734 9.288 3.280) 11.397 3.662 ( 7.902 -3.747 3.564) 9.443 3.815 ( -5.870 6.619 0.482) 8.860 4.671 ( 5.468 -1.820 -3.247) 6.614 5.560 ( -9.076 -7.816 -9.374) 15.210 6.024 ( 15.986 4.453 8.359) 18.581 7.051 ( -18.571 -7.803 -0.788) 20.159 7.307 ( -8.914 0.007 1.387) 9.021 7.857 ( -9.311 3.617 -4.504) 10.957 8.419 ( 2.267 1.373 -0.091) 2.652 8.576 ( 6.814 8.622 7.478) 13.293 8.818 ( -1.089 4.194 0.069) 4.333 9.376 ( 2.030 4.517 -0.474) 4.975 9.978 ( 1.937 1.266 -0.322) 2.336 10.661 ( 2.026 -15.615 -2.819) 15.996 11.462 ( 1.990 -2.851 3.634) 5.030 12.486 ( 7.921 -0.625 -1.844) 8.156 12.636 ( -5.962 -1.012 1.800) 6.309 12.800 ( -4.642 -5.431 7.065) 10.048 13.166 ( 5.486 12.718 -9.541) 16.819 14.233 ( 5.931 -12.625 6.792) 15.514 15.808 ( -10.157 8.325 -10.605) 16.880 17.027 ( 2.239 4.271 8.224) 9.534 18.475 ( -6.800 -1.424 -2.491) 7.381 19.342 ( 6.551 4.904 4.369) 9.276 20.297 ( 0.716 5.029 3.614) 6.234 21.286 ( 5.752 -7.767 -5.790) 11.267 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -12.319 -2.027 3.972) 13.101 2.128 ( -17.172 -8.432 -4.859) 19.738 2.671 ( 5.252 -0.601 -0.019) 5.286 3.274 ( 7.375 9.166 4.278) 12.518 3.713 ( 6.053 -7.947 -1.416) 10.089 3.882 ( 1.629 8.365 2.286) 8.824 4.733 ( 5.101 -0.014 -2.171) 5.544 5.335 ( -6.360 -2.965 -9.225) 11.591 6.338 ( 11.851 3.622 6.259) 13.883 6.480 ( -33.266 -12.225 -4.031) 35.670 7.155 ( -6.179 -8.621 3.302) 11.109 7.715 ( -11.626 5.743 -3.864) 13.530 8.440 ( -2.575 2.174 0.933) 3.496 8.825 ( 6.199 11.397 0.768) 12.997 8.884 ( 7.996 1.546 2.422) 8.496 9.452 ( 0.320 5.318 3.025) 6.127 10.028 ( 2.932 -2.320 -2.543) 4.522 10.523 ( 0.928 -13.435 -0.937) 13.499 11.482 ( 0.569 -3.936 7.655) 8.626 12.537 ( -2.927 -3.490 9.122) 10.196 12.630 ( 7.665 3.750 -1.778) 8.716 12.827 ( 6.321 0.814 -0.078) 6.373 13.351 ( 10.259 12.455 -14.229) 21.514 14.233 ( 4.797 -12.288 4.127) 13.821 15.603 ( -15.071 6.451 -12.180) 20.422 17.165 ( 2.595 4.106 11.997) 12.943 18.314 ( -8.521 -3.626 -1.226) 9.341 19.550 ( 8.472 5.035 8.439) 12.975 20.360 ( -2.704 5.884 4.610) 7.949 21.294 ( 8.189 -6.740 -7.035) 12.727 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -23.943 -1.497 -5.149) 24.536 1.803 ( -17.455 -12.145 7.039) 22.399 2.786 ( 7.328 2.666 0.541) 7.816 3.484 ( 4.280 8.476 3.581) 10.148 3.715 ( 6.566 -15.059 -2.532) 16.622 3.934 ( -4.615 7.895 -3.793) 9.900 4.806 ( 4.266 2.125 -0.833) 4.838 5.211 ( -2.433 1.082 -5.480) 6.093 5.822 ( -27.399 -11.009 -3.378) 29.721 6.556 ( 5.926 1.407 4.284) 7.446 7.028 ( -1.166 -10.159 5.692) 11.703 7.552 ( -13.650 7.860 -3.714) 16.183 8.378 ( -6.316 1.391 -2.236) 6.843 9.022 ( 11.475 5.062 -0.505) 12.552 9.077 ( 7.594 5.511 0.193) 9.385 9.506 ( -1.502 3.365 4.115) 5.524 9.926 ( -4.973 -11.780 -1.327) 12.855 10.498 ( 4.233 -2.694 1.844) 5.346 11.502 ( 0.216 -2.780 9.386) 9.791 12.570 ( 3.898 1.117 1.688) 4.393 12.806 ( 8.581 6.459 2.777) 11.093 12.989 ( 11.072 1.200 3.302) 11.616 13.525 ( 8.729 7.389 -12.728) 17.111 14.218 ( 6.384 -11.577 -0.908) 13.251 15.334 ( -17.095 5.644 -10.802) 20.995 17.315 ( 2.906 4.700 11.661) 12.904 18.134 ( -9.073 -5.072 1.498) 10.502 19.781 ( 8.391 4.059 10.358) 13.934 20.357 ( -5.801 3.499 2.967) 7.395 21.340 ( 8.675 -4.497 -6.985) 12.011 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -23.856 -6.424 -2.827) 24.867 1.408 ( -27.400 -3.949 10.538) 29.621 2.839 ( -11.522 -1.894 -5.211) 12.787 3.328 ( -18.135 -4.645 -2.227) 18.852 3.765 ( 10.910 -1.780 5.949) 12.553 3.953 ( 4.309 5.678 -8.014) 10.726 4.918 ( 7.258 1.869 0.686) 7.526 5.214 ( 3.347 1.226 -2.977) 4.644 5.437 ( -10.972 -4.031 -1.868) 11.838 6.601 ( -2.185 -0.223 2.333) 3.204 7.000 ( 2.415 -8.323 8.732) 12.303 7.391 ( -13.198 7.439 -3.009) 15.446 8.266 ( -4.557 -0.018 -6.797) 8.184 9.207 ( 3.773 6.670 -4.979) 9.139 9.262 ( 13.476 0.956 1.666) 13.612 9.486 ( -0.933 -6.875 0.065) 6.939 9.747 ( -9.319 -1.749 8.378) 12.653 10.568 ( 3.781 -0.199 1.797) 4.191 11.548 ( 1.162 -0.006 6.905) 7.002 12.668 ( 8.076 -1.863 -0.323) 8.294 13.063 ( 10.873 12.707 1.366) 16.780 13.203 ( 9.944 0.240 7.533) 12.477 13.606 ( 3.238 0.202 -4.261) 5.355 14.224 ( 9.998 -9.895 -7.778) 16.074 15.056 ( -17.020 5.325 -8.662) 19.826 17.477 ( 3.517 6.762 9.090) 11.862 17.952 ( -8.447 -6.956 3.433) 11.468 19.996 ( 6.527 2.791 11.925) 13.878 20.280 ( -5.914 0.176 -2.194) 6.310 21.398 ( 6.519 -2.083 -5.086) 8.527 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -24.682 -8.436 5.163) 26.590 1.024 ( -31.509 7.762 13.255) 35.054 2.115 ( -57.717 -0.806 -8.203) 58.303 3.267 ( 3.994 0.084 0.153) 3.998 3.956 ( 11.544 -3.701 2.354) 12.349 4.048 ( 5.652 4.620 -4.836) 8.757 5.035 ( 7.214 -2.044 -3.057) 8.097 5.269 ( 4.356 -0.076 -1.387) 4.572 5.337 ( -2.407 1.393 3.761) 4.677 6.547 ( -4.386 -0.051 0.036) 4.386 7.027 ( 0.510 -1.619 8.080) 8.256 7.225 ( -11.570 1.781 -1.809) 11.845 8.179 ( -0.641 -0.336 -6.669) 6.708 9.270 ( 0.979 5.840 -6.912) 9.101 9.354 ( 2.019 -9.273 3.683) 10.180 9.510 ( 9.423 0.034 -0.898) 9.465 9.679 ( -9.159 3.728 10.636) 14.523 10.621 ( 2.301 -0.518 0.902) 2.525 11.592 ( 0.965 0.171 -0.248) 1.011 12.800 ( 11.250 -2.407 0.767) 11.530 13.343 ( 7.716 4.117 -2.969) 9.236 13.374 ( 7.679 5.301 7.060) 11.701 13.593 ( -0.884 -5.410 1.373) 5.651 14.279 ( 11.342 -5.376 -5.224) 13.595 14.804 ( -14.912 4.223 -5.473) 16.437 17.636 ( 2.715 7.816 2.196) 8.561 17.785 ( -5.982 -8.218 4.511) 11.120 20.135 ( -4.588 0.070 -0.249) 4.595 20.184 ( 5.353 -0.518 -5.246) 7.512 21.454 ( 3.423 0.503 0.722) 3.534 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -10.112 25.625 -1.805) 27.607 1.076 ( -5.425 17.499 26.010) 31.814 2.342 ( -30.011 43.188 18.026) 55.595 3.212 ( 1.432 -2.290 -5.116) 5.785 3.860 ( 5.079 -10.030 -7.894) 13.737 4.127 ( 1.587 -3.428 3.074) 4.871 5.042 ( 8.102 -2.475 -1.589) 8.619 5.255 ( -5.222 -2.240 -4.840) 7.464 5.481 ( 5.075 -9.794 19.315) 22.243 6.516 ( -1.206 4.174 -3.471) 5.561 6.911 ( 1.561 -1.970 -4.967) 5.566 7.284 ( -3.120 11.195 4.821) 12.582 8.301 ( -3.310 -0.120 7.123) 7.855 9.221 ( -16.363 -5.821 -10.151) 20.116 9.399 ( 9.791 0.981 4.711) 10.909 9.485 ( 3.228 9.038 -4.357) 10.540 9.572 ( 2.051 -7.911 1.233) 8.265 10.590 ( 1.171 -2.498 -2.779) 3.916 11.545 ( 8.652 3.765 -5.576) 10.960 12.594 ( -9.208 -6.750 -21.214) 24.091 13.290 ( 4.373 -6.224 -2.126) 7.898 13.372 ( 15.641 -0.869 2.165) 15.814 13.608 ( -1.858 0.938 2.211) 3.037 14.479 ( -1.152 -12.069 15.285) 19.509 14.951 ( -6.893 14.980 11.934) 20.355 17.459 ( 11.654 3.456 -15.997) 20.091 17.746 ( -8.117 1.138 -2.561) 8.588 19.587 ( -13.580 27.221 -48.174) 56.975 20.237 ( 0.561 -0.658 -1.077) 1.382 21.495 ( -2.375 -9.451 3.644) 10.403 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 21.415 28.176 8.962) 36.507 1.386 ( 4.316 17.356 26.743) 32.172 2.481 ( -11.915 38.915 12.599) 42.603 3.188 ( 0.334 1.446 -3.295) 3.613 3.745 ( 0.476 -11.381 -10.432) 15.446 4.052 ( -6.434 -5.392 0.397) 8.404 5.016 ( -5.676 -5.977 -1.670) 8.410 5.229 ( 6.409 -3.511 -4.307) 8.483 5.500 ( -1.597 -6.913 15.925) 17.434 6.535 ( 0.796 5.065 -3.290) 6.092 7.069 ( 15.583 3.087 -0.133) 15.886 7.350 ( -4.391 8.740 7.209) 12.150 8.148 ( -12.213 -1.465 -0.745) 12.323 9.004 ( -0.657 -1.144 -8.406) 8.509 9.485 ( -2.389 -10.156 2.013) 10.626 9.556 ( -2.009 7.301 1.711) 7.763 9.683 ( 15.889 1.650 2.689) 16.199 10.574 ( 2.104 -2.784 -2.809) 4.479 11.663 ( -0.519 4.825 -2.749) 5.578 12.365 ( 3.597 -3.382 -19.789) 20.396 13.289 ( -9.656 -8.932 -2.131) 13.325 13.302 ( 5.554 -8.199 2.132) 10.130 13.831 ( 10.442 6.517 3.100) 12.693 14.418 ( -3.801 -12.368 16.044) 20.611 14.937 ( -14.331 14.162 10.104) 22.539 17.523 ( -1.126 -3.080 -7.984) 8.631 17.818 ( 15.331 8.957 -3.715) 18.141 19.402 ( -9.483 32.610 -48.923) 59.555 20.218 ( -0.921 -1.616 -0.877) 2.056 21.384 ( 0.029 -12.241 2.596) 12.514 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 4.181 19.369 18.619) 27.191 1.912 ( 15.064 18.138 18.420) 29.920 2.704 ( 1.757 10.108 0.335) 10.265 3.275 ( 2.865 10.668 0.242) 11.049 3.618 ( 4.362 -1.526 -10.196) 11.194 3.880 ( -5.793 -9.237 0.110) 10.904 4.814 ( -10.718 -4.582 -4.725) 12.577 5.186 ( -1.160 -9.336 -0.508) 9.422 5.631 ( 8.048 7.769 11.353) 15.938 6.593 ( 1.497 4.693 -1.713) 5.215 7.324 ( 1.419 6.840 4.911) 8.539 7.400 ( 5.318 2.326 6.231) 8.516 8.015 ( -1.084 3.096 -6.307) 7.109 8.983 ( 3.996 -3.371 -6.971) 8.714 9.311 ( -7.699 -10.893 1.745) 13.453 9.547 ( -7.719 6.668 1.777) 10.354 9.984 ( 17.430 -0.724 5.262) 18.222 10.563 ( 0.621 -2.728 -2.052) 3.470 11.573 ( -12.200 8.840 -7.633) 16.890 12.375 ( 10.719 -7.535 -9.804) 16.364 13.028 ( -9.164 -9.189 -3.189) 13.364 13.361 ( 9.364 -8.958 4.439) 13.698 13.897 ( -13.388 7.902 6.786) 16.963 14.280 ( -9.287 -14.445 15.372) 23.048 15.037 ( 5.095 12.893 8.708) 16.372 17.413 ( -3.100 -2.087 -9.449) 10.161 18.110 ( 8.565 11.221 2.237) 14.293 19.324 ( -0.320 21.694 -42.661) 47.861 20.174 ( -1.866 -1.870 -0.322) 2.661 21.309 ( 3.820 -13.273 0.304) 13.816 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 1.693 13.722 16.609) 21.611 2.323 ( 6.679 17.602 9.413) 21.048 2.723 ( -0.427 -2.177 0.202) 2.228 3.246 ( -5.522 -1.020 -6.765) 8.792 3.702 ( -3.790 -10.929 0.045) 11.567 3.915 ( 24.115 5.731 -2.997) 24.968 4.556 ( -13.523 -3.163 -3.606) 14.348 5.103 ( -0.131 -3.591 1.387) 3.852 5.989 ( 15.369 15.438 7.908) 23.175 6.588 ( -4.980 -1.216 -0.219) 5.131 7.342 ( -2.468 3.460 9.116) 10.058 7.617 ( 7.516 10.823 0.456) 13.184 8.097 ( 7.806 6.719 -4.231) 11.135 8.937 ( 0.572 -9.139 -6.409) 11.177 9.098 ( -8.297 -7.040 0.813) 10.912 9.477 ( -9.326 7.528 0.792) 12.012 10.255 ( 16.389 -6.067 4.248) 17.984 10.494 ( -5.345 -3.415 -0.734) 6.385 11.426 ( -9.219 9.424 -9.749) 16.397 12.393 ( 5.116 -7.657 -5.741) 10.851 12.820 ( -6.135 -5.340 -2.218) 8.430 13.470 ( 10.058 -11.153 7.872) 16.956 13.716 ( -22.269 12.239 4.410) 25.791 14.056 ( -9.538 -21.673 20.135) 31.083 15.354 ( 12.420 12.545 6.614) 18.851 17.276 ( -6.259 1.990 -12.428) 14.056 18.336 ( 3.056 14.359 5.737) 15.762 19.277 ( 3.104 8.253 -33.104) 34.258 20.135 ( -0.915 -0.799 0.071) 1.217 21.251 ( 4.931 -13.666 -2.214) 14.696 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 1.227 4.571 9.497) 10.611 2.524 ( -3.128 13.175 0.478) 13.549 2.769 ( 5.170 2.843 5.734) 8.227 3.097 ( -8.534 -0.011 -4.047) 9.445 3.549 ( -1.536 -10.782 -1.854) 11.047 4.248 ( 15.529 -3.894 -6.515) 17.285 4.319 ( -9.655 -0.123 -0.410) 9.665 5.181 ( 9.168 0.937 6.890) 11.507 6.231 ( -5.404 -7.986 -4.219) 10.525 6.615 ( 11.083 16.832 7.600) 21.538 7.454 ( 2.307 8.969 6.730) 11.448 7.841 ( 5.770 13.995 2.089) 15.281 8.271 ( 5.852 7.329 -2.066) 9.604 8.792 ( -1.715 -8.453 -2.799) 9.068 8.907 ( -9.327 -6.926 -1.642) 11.733 9.420 ( -6.797 8.526 -1.574) 11.017 10.310 ( -9.623 -5.574 -0.558) 11.135 10.433 ( 11.887 -11.172 1.784) 16.411 11.365 ( -2.119 7.114 -7.331) 10.433 12.330 ( 1.195 -7.482 -7.641) 10.761 12.725 ( -2.484 0.674 -0.316) 2.593 13.447 ( -14.280 -0.327 11.789) 18.520 13.533 ( -11.312 -1.602 1.639) 11.542 13.886 ( 3.305 -22.404 20.191) 30.340 15.695 ( 10.838 12.941 4.739) 17.533 17.126 ( -7.779 5.677 -11.685) 15.142 18.540 ( 1.012 14.339 6.539) 15.792 19.198 ( 2.627 0.456 -23.285) 23.437 20.141 ( 1.404 1.158 0.778) 1.979 21.186 ( 4.925 -13.694 -4.357) 15.191 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 1.927 -3.472 2.927) 4.933 2.553 ( -7.240 11.312 2.575) 13.675 2.861 ( -2.908 -2.283 1.290) 3.916 2.984 ( -2.359 5.977 -2.385) 6.854 3.468 ( 2.915 -6.102 0.735) 6.802 4.125 ( -11.437 3.100 0.544) 11.863 4.415 ( 11.374 -4.241 -6.772) 13.900 5.458 ( 17.177 0.782 9.196) 19.499 5.912 ( -12.689 -13.687 -5.911) 19.577 7.017 ( 11.288 11.535 5.403) 17.020 7.601 ( -1.249 13.470 2.159) 13.699 8.060 ( 1.395 13.350 3.810) 13.953 8.342 ( 0.254 1.570 -2.246) 2.752 8.641 ( -12.042 -5.761 1.078) 13.393 8.804 ( 5.816 1.868 0.238) 6.113 9.385 ( -4.859 7.273 -4.479) 9.827 10.102 ( -9.271 -3.006 -0.662) 9.768 10.473 ( 9.356 -17.945 -0.626) 20.248 11.381 ( 1.342 1.538 -1.696) 2.654 12.257 ( 4.168 -4.953 -8.829) 10.948 12.721 ( -1.233 4.606 -2.114) 5.215 13.250 ( -16.534 -15.902 18.288) 29.338 13.296 ( -13.799 9.897 -2.381) 17.148 13.937 ( 11.055 -18.271 13.543) 25.288 15.951 ( 3.349 13.331 -0.641) 13.761 17.035 ( -4.299 7.393 -4.479) 9.654 18.650 ( -4.217 7.085 1.247) 8.338 19.166 ( 5.426 2.304 -9.612) 11.275 20.212 ( 3.405 4.012 2.304) 5.744 21.110 ( 5.340 -13.734 -6.394) 16.063 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -2.426 -3.922 1.692) 4.912 2.550 ( -2.860 4.845 1.970) 5.961 2.689 ( -12.876 -3.360 -2.331) 13.510 3.068 ( 4.252 7.828 0.445) 8.920 3.535 ( 7.044 -3.274 3.041) 8.342 4.001 ( -9.096 4.962 1.743) 10.507 4.505 ( 8.450 -2.252 -5.730) 10.455 5.565 ( -8.935 -12.194 -6.809) 16.579 5.812 ( 18.054 1.266 6.644) 19.279 7.157 ( -2.615 -2.725 4.038) 5.529 7.615 ( -16.697 12.414 -0.488) 20.811 8.025 ( -11.031 1.528 -2.576) 11.430 8.380 ( 3.894 2.264 -1.171) 4.654 8.586 ( 4.345 3.152 8.730) 10.248 8.933 ( -1.301 10.797 0.975) 10.919 9.373 ( 1.071 5.601 -4.994) 7.581 9.987 ( -2.625 -0.236 -0.859) 2.772 10.409 ( 6.389 -20.878 -0.575) 21.842 11.402 ( 2.664 -4.200 2.668) 5.644 12.300 ( 9.977 -0.400 -6.925) 12.152 12.721 ( -2.893 4.664 -3.780) 6.664 12.950 ( -14.128 -12.201 15.102) 24.011 13.225 ( -4.970 11.099 -5.363) 13.291 14.001 ( 9.409 -18.452 9.948) 22.978 16.008 ( -7.974 13.142 -8.741) 17.683 17.090 ( 1.466 7.637 5.558) 9.558 18.562 ( -7.297 -1.714 -2.611) 7.937 19.299 ( 7.413 6.206 1.604) 9.800 20.342 ( 3.464 7.453 3.968) 9.126 21.039 ( 7.124 -13.643 -8.512) 17.588 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -6.535 -3.666 2.840) 8.014 2.404 ( -18.751 0.883 -0.304) 18.775 2.588 ( 3.411 0.574 0.549) 3.502 3.241 ( 7.464 5.347 3.313) 9.761 3.577 ( 2.564 -7.140 -0.669) 7.616 3.987 ( -2.376 9.651 2.992) 10.380 4.583 ( 7.975 -2.504 -4.993) 9.736 5.320 ( -5.009 -7.177 -7.929) 11.810 6.138 ( 17.742 -0.028 4.145) 18.220 6.912 ( -26.110 -5.848 -0.099) 26.757 7.312 ( -20.009 -2.206 4.176) 20.559 7.920 ( -7.739 6.714 -1.704) 10.387 8.452 ( 3.028 2.762 -1.948) 4.538 8.791 ( 8.487 3.072 6.036) 10.858 8.938 ( -6.479 10.067 -2.233) 12.178 9.466 ( 4.361 3.652 0.038) 5.688 9.981 ( 1.040 0.611 -1.365) 1.822 10.329 ( 5.956 -15.960 2.488) 17.215 11.429 ( 4.181 -5.912 4.512) 8.532 12.474 ( 13.068 2.125 -1.030) 13.280 12.649 ( -7.053 0.727 2.025) 7.373 12.809 ( -2.848 -1.317 4.067) 5.137 13.275 ( 3.422 10.895 -10.036) 15.203 14.005 ( 7.348 -19.727 6.514) 22.036 15.873 ( -15.229 11.996 -11.526) 22.554 17.241 ( 2.533 7.758 8.551) 11.821 18.401 ( -7.599 -5.722 0.770) 9.543 19.498 ( 8.342 5.285 5.072) 11.102 20.463 ( -0.382 6.537 2.697) 7.082 21.015 ( 10.734 -10.002 -8.546) 16.979 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -17.270 -9.094 1.914) 19.611 2.174 ( -19.265 9.147 6.342) 22.249 2.678 ( 7.137 0.258 0.145) 7.143 3.398 ( 9.567 -8.359 4.002) 13.320 3.551 ( 2.279 1.548 -3.786) 4.682 4.072 ( -2.773 10.692 0.923) 11.084 4.656 ( 8.787 -4.426 -4.796) 10.946 5.185 ( -0.987 -2.748 -7.342) 7.901 6.312 ( -38.818 -2.621 -0.346) 38.908 6.410 ( 14.340 -1.721 3.232) 14.800 7.083 ( -9.782 -5.123 7.617) 13.414 7.820 ( -11.957 7.021 -1.535) 13.951 8.460 ( -4.130 1.617 -4.403) 6.250 8.887 ( 5.969 -0.988 0.058) 6.050 9.035 ( 6.310 7.624 -1.834) 10.065 9.506 ( 0.359 -5.452 1.455) 5.654 9.985 ( -3.721 3.554 4.825) 7.054 10.366 ( 8.536 -6.129 3.051) 10.943 11.476 ( 4.084 -4.198 5.136) 7.790 12.592 ( -3.490 0.023 5.829) 6.794 12.727 ( 12.665 7.819 -0.239) 14.886 12.848 ( 7.167 1.070 -0.273) 7.252 13.400 ( 7.219 9.370 -10.409) 15.756 13.953 ( 6.761 -20.910 2.339) 22.100 15.641 ( -18.502 10.047 -10.207) 23.397 17.395 ( 2.186 8.791 6.016) 10.875 18.226 ( -8.218 -9.082 5.267) 13.333 19.713 ( 9.544 3.556 5.672) 11.657 20.446 ( -3.656 -1.218 -4.708) 6.084 21.113 ( 11.272 -1.113 -3.396) 11.825 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -22.294 -7.627 5.077) 24.104 1.954 ( -25.672 9.826 9.938) 29.229 2.794 ( 7.142 -1.521 -2.199) 7.627 3.428 ( 4.953 -10.437 -2.657) 11.855 3.635 ( 2.684 3.965 2.801) 5.547 4.055 ( -9.690 10.466 -3.699) 14.735 4.731 ( 10.346 -6.432 -4.741) 13.073 5.148 ( 2.411 -0.620 -4.933) 5.526 5.760 ( -28.837 2.690 4.219) 29.268 6.581 ( 6.621 -1.954 1.699) 7.109 6.992 ( -2.557 -2.362 9.032) 9.680 7.654 ( -13.936 3.512 -1.945) 14.503 8.317 ( -7.976 -0.514 -7.449) 10.925 9.042 ( 13.481 -2.144 0.785) 13.673 9.172 ( 6.135 4.929 -5.007) 9.328 9.416 ( -2.554 -9.152 1.207) 9.578 9.994 ( -8.092 7.722 11.690) 16.179 10.473 ( 7.560 -3.130 1.680) 8.353 11.535 ( 3.141 -0.821 2.392) 4.033 12.577 ( 0.481 -1.835 1.164) 2.226 12.996 ( 11.688 10.816 -5.703) 16.915 13.053 ( 13.524 -1.283 9.385) 16.511 13.539 ( 4.897 6.653 -3.903) 9.136 13.891 ( 10.079 -17.508 -3.012) 20.425 15.367 ( -19.356 7.176 -7.399) 21.929 17.541 ( 3.015 9.427 0.284) 9.902 18.032 ( -8.828 -11.578 8.724) 16.974 19.917 ( 9.642 1.185 3.377) 10.285 20.306 ( -4.191 -3.981 -11.489) 12.861 21.276 ( 7.864 3.236 1.567) 8.647 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -23.039 -1.765 11.268) 25.708 1.645 ( -29.771 6.224 8.461) 31.570 2.760 ( -14.066 3.311 -2.892) 14.737 3.304 ( -11.165 2.969 -0.428) 11.561 3.732 ( 8.643 -2.870 0.364) 9.114 4.021 ( -0.042 4.981 -2.565) 5.603 4.817 ( 11.297 -5.200 -6.120) 13.861 5.189 ( 5.219 -0.513 -0.127) 5.246 5.509 ( -13.236 4.557 6.977) 15.641 6.600 ( -1.857 -0.562 -0.999) 2.182 7.056 ( 2.657 2.537 9.225) 9.930 7.410 ( -14.449 -4.312 -3.230) 15.421 8.185 ( -3.727 2.672 -5.251) 6.972 9.224 ( 9.867 -6.309 3.592) 12.250 9.281 ( 5.457 5.835 -6.595) 10.359 9.326 ( 2.159 -4.271 -0.813) 4.854 9.963 ( -12.356 3.710 12.513) 17.973 10.555 ( 5.012 -2.097 0.373) 5.445 11.558 ( 0.563 -0.111 -5.742) 5.771 12.625 ( 8.082 -2.148 1.975) 8.592 13.180 ( 9.871 -1.040 -9.524) 13.756 13.278 ( 9.013 -6.098 8.594) 13.866 13.579 ( 0.154 0.285 -1.834) 1.863 14.031 ( 16.227 2.901 4.252) 17.024 15.085 ( -18.117 3.620 -3.292) 18.766 17.613 ( 1.799 -1.735 -9.901) 10.212 17.877 ( -6.876 -2.325 11.093) 13.256 20.017 ( 4.041 -3.660 -16.481) 17.360 20.176 ( -1.105 2.174 -3.569) 4.323 21.428 ( 4.884 3.023 5.508) 7.958 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -21.385 16.424 -3.635) 27.208 1.480 ( -10.163 14.181 21.310) 27.541 2.875 ( 1.011 0.375 -1.510) 1.856 3.408 ( -15.677 17.662 7.908) 24.905 3.650 ( 1.190 -8.803 -7.161) 11.410 4.062 ( 5.809 -1.582 4.464) 7.495 4.877 ( 7.905 1.463 -3.980) 8.970 5.253 ( -0.249 -2.023 1.702) 2.656 5.546 ( -8.066 1.417 10.170) 13.058 6.539 ( -0.351 1.632 -4.735) 5.021 6.895 ( -6.574 -5.762 -3.379) 9.372 7.459 ( -1.419 12.855 4.721) 13.767 8.359 ( 1.889 5.016 4.180) 6.797 9.222 ( 5.627 -10.711 -1.811) 12.234 9.264 ( 7.686 -0.762 -0.389) 7.733 9.477 ( 4.846 7.825 -2.589) 9.561 9.650 ( -21.273 -7.604 -0.562) 22.598 10.526 ( 1.267 -3.798 -2.968) 4.984 11.415 ( 5.560 3.053 -8.532) 10.632 12.536 ( -4.702 -9.118 -13.365) 16.848 13.074 ( 17.132 -0.619 -0.163) 17.144 13.156 ( 7.987 -6.003 3.753) 10.673 13.687 ( -4.805 -2.047 3.582) 6.333 14.429 ( 3.380 -14.627 16.211) 22.095 15.260 ( -2.691 19.751 15.246) 25.096 17.235 ( 7.192 1.983 -18.423) 19.877 17.907 ( -11.531 2.381 -2.841) 12.112 19.661 ( -1.603 9.295 -26.426) 28.059 20.239 ( -0.601 4.336 -4.326) 6.154 21.463 ( -2.064 -9.538 2.386) 10.047 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 5.497 27.479 4.886) 28.447 1.665 ( -1.486 17.889 19.696) 26.649 2.847 ( -2.496 -1.247 -2.080) 3.480 3.369 ( -11.487 12.572 7.748) 18.709 3.571 ( 2.474 -6.984 -7.559) 10.585 4.099 ( -2.768 -1.331 -0.026) 3.071 4.941 ( 4.192 -8.699 1.032) 9.711 5.199 ( -5.127 5.911 -3.016) 8.386 5.552 ( -0.752 -0.351 10.932) 10.964 6.532 ( 1.217 1.308 -4.435) 4.781 6.878 ( 8.465 1.928 -0.005) 8.682 7.552 ( -4.241 11.565 4.256) 13.032 8.346 ( -10.864 -0.369 2.483) 11.150 9.027 ( -9.723 -4.750 -6.805) 12.783 9.406 ( 4.270 -9.263 1.908) 10.376 9.456 ( 10.027 -1.036 1.868) 10.252 9.628 ( 3.016 9.195 -1.702) 9.825 10.493 ( 1.948 -4.239 -2.990) 5.541 11.559 ( 11.735 3.355 -4.559) 13.029 12.291 ( -7.147 -3.862 -13.990) 16.177 13.154 ( 5.743 -7.285 0.701) 9.303 13.322 ( -1.757 -6.839 0.839) 7.110 13.659 ( 11.534 1.625 2.388) 11.890 14.429 ( 0.484 -14.023 20.046) 24.469 15.411 ( -13.605 18.135 15.843) 27.658 17.357 ( 12.727 4.537 -17.421) 22.047 17.754 ( -3.922 3.701 -2.699) 6.031 19.555 ( -6.276 15.550 -30.549) 34.849 20.231 ( -1.838 3.589 -4.309) 5.901 21.313 ( -3.749 -13.248 1.769) 13.882 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 19.248 20.851 12.586) 31.043 1.946 ( 3.015 17.322 15.710) 23.578 2.767 ( -2.800 -2.875 -2.460) 4.707 3.324 ( -1.035 -5.271 -4.386) 6.934 3.553 ( -0.297 7.686 -0.867) 7.741 3.953 ( -10.082 -4.254 -2.155) 11.152 4.850 ( -3.306 -10.991 -1.061) 11.526 5.180 ( -4.504 5.652 0.089) 7.228 5.668 ( 4.452 9.767 9.266) 14.180 6.565 ( 4.034 0.315 -2.597) 4.808 7.138 ( 17.757 3.763 1.985) 18.260 7.571 ( -8.271 5.823 7.471) 12.575 8.131 ( -11.456 4.317 -5.819) 13.555 8.895 ( -0.761 -2.908 -4.843) 5.700 9.319 ( -3.388 -10.609 3.751) 11.752 9.665 ( 8.359 1.338 -4.888) 9.775 9.740 ( 6.228 3.285 6.681) 9.706 10.484 ( 3.095 -3.557 -2.681) 5.424 11.712 ( 2.988 3.936 -4.391) 6.610 12.129 ( 1.300 -3.059 -10.324) 10.846 13.085 ( -9.812 -10.402 -0.294) 14.302 13.196 ( 5.124 -5.924 1.536) 7.982 13.944 ( 12.549 -0.044 6.329) 14.055 14.391 ( -4.998 -9.186 14.856) 18.167 15.378 ( -18.658 17.436 16.088) 30.182 17.368 ( 0.042 -2.755 -9.067) 9.477 17.950 ( 18.177 9.916 -4.680) 21.228 19.402 ( -9.032 16.958 -32.957) 38.148 20.200 ( -2.748 2.463 -3.136) 4.843 21.156 ( -0.521 -14.613 1.400) 14.689 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 2.080 14.111 10.129) 17.494 2.355 ( 12.403 9.117 14.927) 21.443 2.703 ( 0.142 -2.364 -1.835) 2.996 3.237 ( 1.774 -3.118 -7.673) 8.470 3.653 ( 2.186 0.522 -6.862) 7.220 3.745 ( -3.388 -3.181 2.228) 5.154 4.654 ( -7.279 -9.566 -2.547) 12.288 5.155 ( -5.267 5.296 3.335) 8.180 5.975 ( 10.377 18.512 6.381) 22.161 6.596 ( 1.736 -4.104 -0.470) 4.481 7.476 ( 15.631 2.883 4.014) 16.393 7.504 ( -5.979 4.997 5.561) 9.573 8.091 ( 0.789 12.086 -6.437) 13.716 8.828 ( -0.458 -6.447 -4.257) 7.739 9.163 ( -6.843 -7.752 2.139) 10.559 9.675 ( -5.375 5.975 -2.067) 8.299 9.947 ( 14.659 -7.460 4.433) 17.035 10.475 ( 1.098 -4.152 -2.287) 4.866 11.645 ( -11.054 8.287 -8.478) 16.210 12.155 ( 9.954 -8.737 -3.123) 13.608 12.866 ( -6.955 -5.228 -1.375) 8.809 13.257 ( 8.015 -7.964 5.095) 12.394 14.047 ( -3.064 -7.858 17.484) 19.412 14.237 ( -16.087 0.819 1.787) 16.207 15.430 ( -3.100 14.215 16.079) 21.684 17.293 ( -1.857 -0.227 -6.741) 6.996 18.314 ( 16.960 9.800 -1.540) 19.648 19.221 ( -7.393 12.155 -31.883) 34.913 20.164 ( -2.528 2.259 -1.599) 3.748 21.043 ( 2.758 -15.017 -0.271) 15.270 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -3.874 3.049 5.069) 7.071 2.600 ( 4.394 5.692 3.786) 8.126 2.742 ( 5.246 1.736 5.061) 7.493 3.232 ( -2.899 3.937 -3.378) 5.942 3.458 ( -4.658 -10.843 -4.994) 12.814 3.922 ( 15.959 1.213 -2.196) 16.155 4.442 ( -7.606 -6.911 -1.903) 10.451 5.176 ( -0.899 5.472 6.204) 8.321 6.211 ( -1.776 -2.640 -3.214) 4.522 6.649 ( 7.856 12.374 5.632) 15.702 7.525 ( 1.317 6.177 5.148) 8.148 7.804 ( 13.967 8.844 2.315) 16.693 8.256 ( 6.554 13.465 -2.032) 15.113 8.700 ( -2.515 -9.825 -3.604) 10.763 8.995 ( -8.077 -4.901 -0.716) 9.475 9.617 ( -7.689 7.261 -1.643) 10.702 10.085 ( 12.615 -14.551 2.593) 19.432 10.394 ( -4.279 -5.607 -2.047) 7.344 11.504 ( -9.703 9.248 -7.654) 15.435 12.166 ( 4.525 -11.277 -3.068) 12.532 12.766 ( -2.355 0.148 0.057) 2.360 13.350 ( 9.258 -10.285 6.405) 15.249 13.902 ( -15.372 -15.226 13.035) 25.260 13.985 ( -18.576 9.390 6.687) 21.862 15.685 ( 8.104 11.619 12.410) 18.833 17.224 ( -4.701 4.481 -6.410) 9.124 18.641 ( 10.923 12.016 3.496) 16.611 19.038 ( -3.022 3.164 -28.272) 28.609 20.158 ( -0.575 3.444 0.086) 3.492 20.954 ( 4.023 -15.059 -2.564) 15.797 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -3.064 -2.642 1.928) 4.482 2.703 ( 0.853 6.796 2.071) 7.156 2.884 ( 2.808 1.375 2.662) 4.106 3.101 ( -10.175 2.448 -3.372) 10.996 3.355 ( 3.691 -7.682 -1.086) 8.592 4.142 ( 11.002 -3.772 -5.323) 12.791 4.304 ( -3.861 3.448 1.251) 5.326 5.309 ( 7.724 2.871 7.584) 11.199 5.947 ( -11.745 -14.372 -5.283) 19.298 7.000 ( 9.613 15.040 4.000) 18.292 7.684 ( 6.220 9.453 2.612) 11.614 8.108 ( 9.943 10.913 3.379) 15.145 8.406 ( -4.855 4.898 2.092) 7.206 8.653 ( 11.470 -0.007 -3.383) 11.959 8.786 ( -11.557 -4.355 -1.885) 12.493 9.548 ( -7.991 7.284 -3.309) 11.308 10.106 ( 7.213 -18.053 1.514) 19.499 10.235 ( -5.527 -6.616 -2.151) 8.885 11.425 ( -5.233 4.401 -3.051) 7.487 12.097 ( 3.168 -8.022 -5.097) 10.018 12.766 ( -0.625 3.443 -0.488) 3.534 13.379 ( -1.568 -11.600 8.183) 14.282 13.570 ( -14.658 -5.248 0.000) 15.569 13.855 ( -10.336 -1.216 15.249) 18.463 15.985 ( 7.909 11.076 7.357) 15.472 17.166 ( -5.488 8.310 -3.960) 10.718 18.797 ( -7.900 3.732 -6.727) 11.027 18.991 ( 13.841 4.837 -8.106) 16.753 20.220 ( 2.591 5.962 1.925) 6.779 20.860 ( 4.179 -15.210 -5.027) 16.555 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -0.450 -3.313 0.619) 3.401 2.722 ( -8.453 3.737 1.029) 9.299 2.817 ( -6.164 -2.316 1.319) 6.716 3.074 ( 1.886 5.767 -1.833) 6.338 3.397 ( 7.395 -4.463 1.012) 8.696 4.116 ( -0.381 -4.260 -1.707) 4.605 4.398 ( 2.120 8.388 -0.903) 8.699 5.498 ( 5.063 -7.563 1.836) 9.285 5.650 ( -1.039 -4.798 -1.761) 5.215 7.183 ( 0.987 2.195 2.690) 3.610 7.888 ( 1.869 15.012 0.352) 15.132 8.236 ( -15.055 0.156 0.999) 15.089 8.321 ( 2.937 -0.577 -1.344) 3.281 8.613 ( -1.407 -0.395 5.609) 5.796 8.953 ( 13.954 12.880 0.124) 18.990 9.444 ( -8.286 4.437 -7.346) 11.929 10.012 ( -1.640 -8.323 -0.907) 8.531 10.127 ( 3.992 -14.145 1.380) 14.762 11.361 ( -1.896 -4.580 1.152) 5.089 12.117 ( 7.977 0.054 -4.826) 9.323 12.780 ( -1.723 4.950 -3.200) 6.140 13.149 ( -14.853 -9.803 9.088) 19.982 13.404 ( -6.773 1.049 -2.418) 7.268 13.806 ( 0.015 -9.120 10.587) 13.973 16.170 ( -1.166 11.507 -0.978) 11.607 17.187 ( -1.051 9.431 2.223) 9.746 18.618 ( -5.948 -5.698 -7.133) 10.896 19.237 ( 9.494 7.551 2.096) 12.311 20.373 ( 5.151 9.838 3.593) 11.671 20.751 ( 4.875 -15.700 -7.739) 18.170 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -0.667 -1.862 -0.269) 1.996 2.610 ( -6.067 -0.580 1.793) 6.353 2.682 ( -11.276 2.071 2.890) 11.823 3.182 ( 5.235 1.568 0.875) 5.534 3.456 ( 5.218 -5.433 -1.465) 7.674 4.114 ( 0.373 4.272 2.514) 4.971 4.461 ( 1.030 2.962 -3.198) 4.480 5.305 ( -6.722 -7.116 -4.980) 10.984 5.857 ( 17.481 -1.330 1.755) 17.619 7.127 ( -8.419 -3.658 2.363) 9.478 7.773 ( -30.743 2.023 1.767) 30.860 8.050 ( -2.048 5.066 0.760) 5.517 8.388 ( 5.451 0.648 -2.800) 6.163 8.716 ( 6.885 0.214 4.283) 8.111 9.151 ( -9.813 8.753 -2.877) 13.461 9.386 ( 7.600 1.347 -1.681) 7.899 9.962 ( 2.411 0.298 -1.412) 2.810 10.110 ( 6.679 -11.002 3.926) 13.456 11.320 ( 3.189 -7.276 2.617) 8.364 12.284 ( 12.311 3.494 -1.058) 12.841 12.747 ( -4.356 4.211 -5.988) 8.518 12.936 ( -9.947 -4.133 9.588) 14.421 13.325 ( -3.337 5.988 -5.664) 8.893 13.772 ( 3.174 -14.860 5.696) 16.228 16.145 ( -11.396 11.263 -7.132) 17.539 17.312 ( 2.690 8.593 4.357) 10.003 18.444 ( -5.115 -9.322 1.101) 10.690 19.442 ( 7.609 4.811 3.356) 9.607 20.512 ( -0.742 0.300 -2.885) 2.994 20.720 ( 12.184 -3.001 -3.065) 12.917 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -10.034 -2.654 1.341) 10.465 2.531 ( -8.650 5.728 6.086) 12.028 2.612 ( -1.345 1.270 1.114) 2.160 3.203 ( 3.506 -12.991 1.420) 13.530 3.504 ( 5.190 2.883 -2.635) 6.495 4.211 ( 0.823 8.138 3.835) 9.033 4.471 ( 3.397 -1.949 -5.283) 6.576 5.158 ( -3.693 -1.296 -4.753) 6.157 6.129 ( 18.124 -2.815 0.324) 18.345 6.853 ( -25.901 -0.599 0.410) 25.911 7.339 ( -22.272 -2.294 8.252) 23.862 8.025 ( -8.074 4.005 0.031) 9.013 8.455 ( 3.557 1.349 -4.567) 5.944 8.831 ( 4.331 -2.634 1.814) 5.384 8.978 ( -3.342 -2.327 -7.999) 8.976 9.472 ( 0.201 -2.671 3.952) 4.774 10.089 ( 3.655 9.932 4.529) 11.512 10.177 ( 9.228 -5.645 2.268) 11.053 11.366 ( 6.884 -4.272 2.983) 8.634 12.539 ( 14.979 0.062 6.761) 16.434 12.709 ( -1.302 7.368 -6.522) 9.925 12.824 ( -6.438 -0.023 1.654) 6.647 13.367 ( 3.357 9.939 -4.768) 11.523 13.692 ( 3.309 -18.347 1.662) 18.717 15.964 ( -17.017 8.999 -7.819) 20.777 17.444 ( 3.180 7.122 -1.044) 7.869 18.290 ( -6.362 -11.376 9.613) 16.195 19.617 ( 8.560 1.892 2.365) 9.081 20.388 ( -1.249 -8.700 -10.812) 13.934 20.964 ( 11.199 8.347 3.022) 14.290 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -18.754 -2.245 6.204) 19.881 2.446 ( -18.617 8.425 6.263) 21.373 2.642 ( 6.668 -3.502 -0.752) 7.569 3.183 ( 9.412 -9.923 0.083) 13.677 3.617 ( 5.657 3.756 -1.357) 6.924 4.276 ( -3.746 3.993 2.887) 6.189 4.496 ( 5.965 -0.629 -6.401) 8.772 5.102 ( -0.655 1.245 -3.295) 3.583 6.353 ( -22.991 5.653 -1.419) 23.718 6.382 ( 2.752 -4.003 4.735) 6.783 7.137 ( -9.730 0.026 9.472) 13.580 7.860 ( -12.838 -2.131 -1.867) 13.147 8.414 ( -6.677 1.329 -6.318) 9.288 8.839 ( 6.924 -3.992 0.075) 7.992 9.018 ( 10.309 -3.756 -4.294) 11.782 9.425 ( -3.420 -2.783 1.031) 4.528 10.206 ( 0.103 0.180 10.441) 10.444 10.328 ( 6.761 5.543 0.880) 8.787 11.467 ( 5.855 -0.097 0.889) 5.923 12.639 ( -7.595 -1.485 3.737) 8.594 12.830 ( 10.958 4.786 -10.927) 16.198 12.866 ( 14.154 -0.673 7.353) 15.964 13.528 ( 3.195 -1.165 0.817) 3.498 13.604 ( 8.218 -1.964 -1.484) 8.579 15.697 ( -19.414 4.976 -5.760) 20.852 17.518 ( 3.625 2.140 -9.354) 10.258 18.143 ( -8.500 -8.700 14.957) 19.278 19.763 ( 9.269 -2.253 -2.652) 9.900 20.241 ( -1.271 -3.927 -10.792) 11.554 21.217 ( 8.336 7.461 4.230) 11.961 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -20.436 2.472 11.509) 23.584 2.151 ( -25.098 -0.077 2.232) 25.197 2.734 ( 6.871 -0.540 -0.479) 6.908 3.301 ( 10.544 -1.671 -2.131) 10.887 3.724 ( 3.255 3.536 1.936) 5.181 4.170 ( -11.549 -2.126 1.403) 11.826 4.586 ( 7.838 4.087 -6.696) 11.090 5.120 ( 2.420 1.594 -0.313) 2.914 5.935 ( -27.700 7.605 7.497) 29.687 6.536 ( 8.044 -2.894 -1.655) 8.707 7.117 ( -1.516 3.711 8.171) 9.101 7.573 ( -15.225 -7.014 -2.777) 16.992 8.284 ( -6.929 4.525 -4.461) 9.401 8.976 ( 13.590 -5.354 0.635) 14.621 9.120 ( 9.025 -4.367 -1.902) 10.205 9.355 ( -2.954 1.733 -3.571) 4.948 10.215 ( -5.658 -3.330 11.180) 12.965 10.464 ( 3.726 4.173 1.347) 5.754 11.519 ( 0.677 1.356 -6.720) 6.889 12.551 ( -0.471 -1.677 0.779) 1.908 12.936 ( 9.357 -3.408 -12.087) 15.661 13.104 ( 9.747 -8.549 8.105) 15.290 13.487 ( 7.722 -9.380 3.337) 12.599 13.927 ( 12.514 18.623 6.025) 23.232 15.391 ( -19.103 1.095 -1.765) 19.215 17.465 ( 1.609 -8.250 -14.310) 16.596 18.060 ( -7.437 1.845 12.083) 14.308 19.806 ( 6.274 -5.190 -14.390) 16.534 20.187 ( 0.134 3.598 -4.572) 5.819 21.404 ( 5.550 3.358 4.901) 8.130 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -17.468 10.458 -2.954) 20.573 1.891 ( -12.998 12.010 15.996) 23.855 2.755 ( 4.549 -4.561 -3.012) 7.111 3.384 ( 8.746 -2.435 -7.640) 11.866 3.771 ( -7.710 -11.008 3.766) 13.957 3.976 ( 8.469 2.838 0.936) 8.981 4.799 ( 3.629 2.164 -1.702) 4.555 5.323 ( -2.346 7.042 7.846) 10.800 5.911 ( -24.290 13.261 6.794) 28.496 6.465 ( 4.943 -4.686 -6.099) 9.143 6.976 ( -10.523 -3.974 -0.327) 11.253 7.621 ( -1.125 13.000 4.239) 13.720 8.396 ( 2.508 7.926 0.053) 8.313 9.013 ( 6.764 -8.547 -0.704) 10.923 9.072 ( 12.793 -4.062 -1.160) 13.472 9.448 ( 5.400 7.736 -3.067) 9.920 9.945 ( -20.903 -8.589 1.052) 22.623 10.456 ( -2.057 -6.810 -2.990) 7.716 11.346 ( 0.324 2.804 -8.686) 9.133 12.436 ( -0.814 -7.021 -9.922) 12.182 12.831 ( 12.761 0.258 1.834) 12.895 13.001 ( 7.277 -6.330 4.688) 10.723 13.726 ( 2.500 -2.979 8.888) 9.701 14.299 ( 3.707 -15.567 10.184) 18.968 15.572 ( -1.304 20.962 17.085) 27.074 17.064 ( 3.934 1.755 -17.121) 17.655 18.110 ( -12.136 3.240 -2.216) 12.755 19.553 ( 4.684 1.137 -16.309) 17.006 20.266 ( 0.196 6.322 -6.754) 9.253 21.413 ( -1.418 -9.565 1.960) 9.867 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -6.901 21.601 1.263) 22.712 1.972 ( -5.406 15.479 15.341) 22.454 2.754 ( 3.556 -5.493 -4.201) 7.776 3.361 ( 1.233 -11.173 -7.140) 13.317 3.637 ( -3.391 -2.913 4.594) 6.410 4.095 ( 3.349 1.113 -2.544) 4.350 4.823 ( 2.063 -6.485 0.078) 6.805 5.378 ( -3.461 4.563 8.125) 9.941 5.767 ( -15.692 19.653 4.607) 25.567 6.452 ( 3.478 -5.271 -5.270) 8.225 6.861 ( -2.237 2.806 2.364) 4.298 7.729 ( -2.277 11.671 1.964) 12.052 8.489 ( -2.839 5.736 1.528) 6.580 9.010 ( 3.051 -10.442 0.247) 10.882 9.236 ( 10.324 1.367 -5.928) 11.983 9.470 ( -17.555 -11.352 3.737) 21.237 9.622 ( 5.684 9.277 -3.823) 11.532 10.391 ( 2.850 -6.862 -2.874) 7.966 11.401 ( 7.339 2.648 -4.649) 9.082 12.287 ( -4.164 -3.429 -9.462) 10.891 12.985 ( 8.191 -4.549 -0.856) 9.408 13.196 ( 13.105 -1.799 8.002) 15.460 13.616 ( -6.419 -6.316 -1.409) 9.114 14.353 ( 7.423 -15.121 21.496) 27.310 15.844 ( -5.334 21.566 19.805) 29.762 17.113 ( 9.965 6.512 -19.249) 22.633 17.903 ( -12.497 1.779 -3.935) 13.222 19.533 ( 1.627 3.861 -18.170) 18.647 20.278 ( -1.263 7.259 -8.291) 11.092 21.264 ( -4.368 -13.793 1.414) 14.537 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 9.154 22.358 8.459) 25.598 2.148 ( -0.144 15.302 10.618) 18.626 2.719 ( 0.943 -5.071 -3.409) 6.183 3.211 ( -0.839 -11.561 -4.568) 12.459 3.603 ( -0.328 -3.181 0.451) 3.229 4.041 ( -6.114 -2.417 -5.796) 8.765 4.753 ( -0.104 -11.362 -0.511) 11.374 5.386 ( -6.018 4.047 8.208) 10.953 5.842 ( -4.978 26.293 4.819) 27.191 6.438 ( 5.118 -6.508 -3.722) 9.077 6.987 ( 8.987 6.674 4.419) 12.034 7.780 ( -5.204 8.518 3.125) 10.459 8.353 ( -15.568 2.242 -4.485) 16.356 8.889 ( -4.458 -5.249 -1.607) 7.072 9.253 ( 1.859 -9.067 1.798) 9.428 9.428 ( 10.896 -1.789 -2.230) 11.265 9.781 ( 3.999 7.331 1.502) 8.485 10.376 ( 3.940 -5.056 -2.328) 6.820 11.549 ( 11.478 0.111 -2.724) 11.797 12.144 ( -6.038 0.890 -8.647) 10.585 13.048 ( 4.926 -6.795 3.383) 9.049 13.169 ( -8.091 -7.236 -2.716) 11.189 13.716 ( 17.248 0.111 5.069) 17.977 14.426 ( 1.334 -11.220 20.216) 23.160 15.963 ( -17.635 20.171 18.459) 32.536 17.223 ( 8.655 1.750 -15.417) 17.767 17.813 ( 3.100 5.751 -3.985) 7.653 19.455 ( -3.393 5.488 -20.876) 21.851 20.265 ( -2.908 7.093 -7.872) 10.988 21.067 ( -3.909 -15.217 1.702) 15.803 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 12.352 10.637 15.337) 22.382 2.344 ( 2.894 13.547 2.615) 14.097 2.662 ( -0.377 -3.534 -2.359) 4.265 3.105 ( 2.283 -6.807 -4.319) 8.379 3.574 ( 2.152 -4.417 -4.223) 6.479 3.845 ( -9.505 -2.824 -3.272) 10.442 4.610 ( -3.062 -11.626 -3.044) 12.402 5.364 ( -7.360 5.155 7.921) 11.979 6.113 ( 1.550 28.738 4.471) 29.125 6.443 ( 7.340 -10.572 -1.921) 13.012 7.276 ( 15.151 7.051 4.897) 17.414 7.722 ( -11.319 2.892 4.586) 12.550 8.179 ( -4.365 9.127 -8.322) 13.100 8.791 ( -2.698 -4.563 -0.485) 5.323 9.181 ( -2.701 -8.748 2.649) 9.531 9.561 ( 11.212 -4.712 -5.384) 13.300 9.888 ( 0.215 4.595 4.942) 6.752 10.385 ( 3.489 -4.273 -2.346) 5.995 11.693 ( 7.041 -0.817 -3.306) 7.822 12.022 ( -3.855 0.144 -5.404) 6.639 12.924 ( -7.328 -5.931 -0.926) 9.473 13.127 ( 4.717 -4.417 3.069) 7.154 13.991 ( 11.167 -3.598 9.348) 15.001 14.408 ( -4.870 -4.439 9.561) 11.611 15.904 ( -21.669 17.307 18.152) 33.145 17.252 ( 3.086 -0.203 -4.659) 5.592 18.042 ( 19.310 6.933 -8.557) 22.230 19.292 ( -7.985 5.364 -21.727) 23.761 20.235 ( -3.498 6.531 -5.757) 9.382 20.898 ( -1.025 -14.804 1.659) 14.932 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -3.669 2.253 0.761) 4.372 2.589 ( 4.909 3.115 7.362) 9.381 2.684 ( 6.551 2.030 2.397) 7.265 3.128 ( 7.724 -3.965 -2.159) 8.946 3.463 ( -5.542 -6.764 -10.464) 13.637 3.797 ( 3.851 5.097 3.492) 7.280 4.429 ( -3.865 -9.991 -3.518) 11.275 5.348 ( -6.525 6.692 7.432) 11.941 6.220 ( -5.540 -4.823 -4.409) 8.567 6.629 ( 13.529 16.391 4.938) 21.819 7.597 ( -0.039 1.428 3.591) 3.865 7.642 ( 12.000 7.429 2.647) 14.360 8.262 ( 5.340 11.937 -5.415) 14.154 8.687 ( -5.197 -5.300 1.232) 7.524 9.051 ( -5.413 -6.099 -0.311) 8.160 9.625 ( 7.242 -5.925 -6.570) 11.433 9.929 ( -1.484 -0.522 7.017) 7.191 10.360 ( 0.103 -5.419 -2.577) 6.002 11.676 ( -5.934 4.525 -7.652) 10.689 11.987 ( 3.504 -7.040 0.191) 7.865 12.806 ( -3.158 -0.640 -0.334) 3.240 13.184 ( 5.694 -6.183 4.739) 9.649 14.033 ( -6.870 -12.605 16.543) 21.903 14.320 ( -9.269 8.743 -5.612) 13.923 15.884 ( -9.433 11.913 19.835) 24.987 17.281 ( -0.198 3.608 0.090) 3.614 18.378 ( 22.917 3.667 -13.085) 26.643 19.082 ( -9.360 4.144 -15.738) 18.774 20.222 ( -2.338 6.659 -2.866) 7.617 20.776 ( 0.951 -13.707 0.546) 13.751 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -6.064 -1.375 0.459) 6.235 2.716 ( 4.843 4.454 2.248) 6.953 2.830 ( 5.577 0.284 2.347) 6.057 3.190 ( 6.787 -6.446 -1.319) 9.453 3.239 ( -8.520 -3.474 -6.484) 11.256 3.966 ( 6.829 1.893 -0.794) 7.131 4.329 ( 1.991 -1.180 0.540) 2.377 5.371 ( -3.414 7.015 6.822) 10.364 5.962 ( -10.107 -13.530 -5.360) 17.718 7.021 ( 9.432 17.701 2.231) 20.181 7.622 ( 6.647 -0.246 0.797) 6.699 8.004 ( 16.111 8.279 4.017) 18.554 8.452 ( 10.286 2.408 -5.210) 11.779 8.571 ( -6.593 4.440 4.488) 9.129 8.894 ( -8.021 -3.519 -3.096) 9.290 9.613 ( 2.515 -5.669 -6.371) 8.892 9.915 ( -1.467 -5.829 7.539) 9.642 10.254 ( -4.234 -6.364 -2.984) 8.205 11.558 ( -8.331 2.999 -5.935) 10.659 11.968 ( 2.492 -5.204 -0.708) 5.813 12.795 ( 0.067 1.882 0.888) 2.083 13.240 ( 6.136 -8.182 4.149) 11.037 13.777 ( -17.454 -11.193 7.628) 22.093 14.199 ( -15.051 10.138 -1.094) 18.180 16.042 ( 2.829 8.492 17.511) 19.667 17.302 ( -3.658 7.349 0.156) 8.211 18.600 ( 14.976 -6.139 -24.904) 29.702 18.982 ( -1.365 8.173 3.693) 9.072 20.264 ( 0.654 7.791 -0.059) 7.818 20.671 ( 0.996 -12.538 -1.162) 12.631 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -4.365 -0.623 0.708) 4.466 2.823 ( -2.208 -5.597 -3.900) 7.170 2.836 ( 2.113 2.895 3.118) 4.750 3.118 ( -3.156 2.823 -0.706) 4.293 3.235 ( 7.001 -5.302 -0.921) 8.830 4.002 ( 4.046 -3.998 -2.750) 6.318 4.459 ( 4.695 7.358 2.491) 9.077 5.436 ( -0.048 3.486 4.920) 6.029 5.660 ( -8.585 -9.100 -4.267) 13.218 7.205 ( 0.811 4.969 -0.751) 5.091 7.822 ( 15.064 1.425 0.985) 15.163 8.241 ( 4.440 -0.419 -0.304) 4.470 8.462 ( -4.623 0.951 5.388) 7.163 8.690 ( -6.384 -1.080 -0.284) 6.481 8.808 ( 13.815 14.911 -4.031) 20.723 9.524 ( -2.891 -6.482 -5.415) 8.927 9.876 ( -0.048 -7.811 6.516) 10.173 10.102 ( -4.903 -5.125 -3.066) 7.727 11.396 ( -7.526 -4.132 -2.638) 8.982 12.009 ( 5.019 2.739 -1.001) 5.805 12.827 ( -0.149 3.571 -0.037) 3.574 13.253 ( 1.190 -8.474 2.272) 8.854 13.439 ( -14.121 -8.175 2.106) 16.452 14.023 ( -16.734 7.009 1.601) 18.213 16.260 ( 3.126 7.788 10.489) 13.433 17.315 ( -3.416 8.944 -0.256) 9.577 18.506 ( 3.271 -12.057 -15.916) 20.233 19.179 ( 8.389 7.408 5.712) 12.565 20.393 ( 5.424 8.486 1.953) 10.259 20.559 ( -0.530 -9.987 -2.967) 10.431 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -1.615 0.719 -0.418) 1.817 2.698 ( -4.838 -3.165 -0.714) 5.825 2.833 ( -4.515 -2.401 3.195) 6.030 3.132 ( 0.960 -0.303 0.102) 1.012 3.303 ( 7.279 -2.392 -2.055) 7.932 4.057 ( 6.303 -0.726 0.226) 6.348 4.544 ( -2.463 4.754 0.395) 5.369 5.372 ( -8.299 0.193 -0.817) 8.342 5.631 ( 9.103 -0.293 0.128) 9.109 7.189 ( -2.684 -2.200 -0.406) 3.494 8.032 ( 7.495 -5.866 1.936) 9.712 8.221 ( -9.084 -2.648 -1.453) 9.573 8.289 ( -7.049 4.325 0.581) 8.290 8.655 ( 0.040 -0.397 -0.883) 0.969 9.236 ( 17.164 12.072 3.171) 21.223 9.339 ( -9.283 -4.205 -3.217) 10.687 9.862 ( 4.506 -4.805 0.913) 6.650 10.008 ( 0.033 -3.435 -0.681) 3.502 11.259 ( -2.244 -4.955 0.043) 5.440 12.152 ( 8.436 4.158 0.772) 9.437 12.829 ( -4.243 4.434 -3.721) 7.177 13.101 ( -9.395 -3.748 3.388) 10.668 13.312 ( 1.971 -5.268 -0.117) 5.626 13.824 ( -14.091 2.473 -0.253) 14.309 16.350 ( -5.593 7.858 1.273) 9.729 17.362 ( 0.643 6.531 -1.827) 6.813 18.377 ( 1.652 -13.055 -0.672) 13.176 19.377 ( 7.178 2.849 2.948) 8.266 20.409 ( -0.099 -12.131 -4.748) 13.027 20.638 ( 7.600 14.061 3.077) 16.277 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -1.358 2.549 -1.009) 3.059 2.604 ( -4.548 -4.000 2.843) 6.691 2.754 ( -3.849 -0.353 3.692) 5.345 3.089 ( -1.709 -7.561 0.557) 7.771 3.404 ( 7.268 1.331 -2.555) 7.818 4.150 ( 6.312 -4.147 0.412) 7.564 4.522 ( -3.910 6.054 -0.853) 7.257 5.267 ( -9.012 6.789 0.459) 11.292 5.825 ( 15.943 -1.709 -1.316) 16.088 7.093 ( -7.461 -1.464 0.510) 7.620 7.764 ( -24.521 -6.727 5.711) 26.061 8.141 ( -3.162 -0.205 -0.355) 3.189 8.367 ( 5.600 2.264 -1.836) 6.313 8.640 ( 6.525 -6.614 -4.973) 10.538 9.064 ( -12.239 -7.383 -2.516) 14.513 9.495 ( -0.192 1.186 5.847) 5.969 10.020 ( 5.100 -4.700 3.041) 7.573 10.059 ( 15.396 12.804 -2.349) 20.161 11.253 ( 4.416 -1.714 2.224) 5.233 12.347 ( 12.062 -0.227 4.009) 12.713 12.745 ( -4.477 3.380 -6.377) 8.493 12.984 ( -7.272 -0.826 1.221) 7.420 13.369 ( 5.058 6.065 1.978) 8.141 13.618 ( -9.730 -3.690 -3.453) 10.964 16.247 ( -13.833 6.105 -3.872) 15.608 17.404 ( 3.168 0.679 -8.200) 8.816 18.314 ( -0.699 -10.489 12.728) 16.508 19.498 ( 6.914 -1.508 -0.870) 7.130 20.270 ( -1.282 -8.034 -5.552) 9.849 20.924 ( 9.326 12.983 3.451) 16.354 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -10.832 3.916 3.371) 12.001 2.512 ( 0.280 -9.770 -0.528) 9.789 2.750 ( -5.053 5.483 4.356) 8.635 3.003 ( 1.815 -6.849 1.777) 7.305 3.520 ( 7.469 1.670 -2.894) 8.182 4.162 ( 5.109 -11.235 -1.345) 12.415 4.559 ( -1.171 10.465 -0.912) 10.569 5.209 ( -8.226 8.709 2.592) 12.256 6.068 ( 17.605 -2.417 -2.112) 17.895 6.896 ( -20.989 4.109 1.076) 21.415 7.402 ( -17.975 -2.189 8.890) 20.172 8.002 ( -10.044 -6.322 -0.988) 11.909 8.426 ( 1.802 1.570 -3.614) 4.333 8.722 ( 11.962 -6.695 -4.475) 14.420 8.830 ( -5.490 -5.045 -0.957) 7.517 9.456 ( -3.007 -3.216 0.613) 4.445 10.078 ( 6.921 -6.444 2.019) 9.670 10.407 ( 7.263 15.853 4.210) 17.939 11.369 ( 7.487 1.332 2.084) 7.885 12.577 ( 15.237 -4.801 6.395) 17.208 12.730 ( 3.010 2.806 -3.241) 5.238 12.829 ( -9.834 0.397 -5.627) 11.337 13.393 ( -4.345 -11.732 -2.986) 12.862 13.625 ( 7.728 18.238 4.036) 20.215 16.001 ( -18.174 1.691 -4.326) 18.758 17.373 ( 3.681 -5.878 -13.544) 15.217 18.287 ( -4.876 -4.692 17.160) 18.446 19.562 ( 7.647 -5.489 -6.643) 11.521 20.184 ( -0.335 -1.353 -3.735) 3.986 21.186 ( 7.922 9.310 3.237) 12.646 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -16.986 5.550 9.429) 20.205 2.367 ( -7.018 -10.162 -4.547) 13.160 2.722 ( -4.404 3.492 4.252) 7.047 3.092 ( 11.360 -1.393 -0.842) 11.476 3.645 ( 8.025 2.074 -1.695) 8.461 4.108 ( 3.479 -14.202 -1.648) 14.715 4.635 ( -0.514 10.196 -1.782) 10.363 5.202 ( -5.802 9.288 5.329) 12.179 6.293 ( 15.381 -3.734 -3.470) 16.203 6.541 ( -30.909 9.247 4.944) 32.639 7.260 ( -7.202 1.595 6.968) 10.147 7.737 ( -13.670 -6.240 -0.467) 15.035 8.394 ( -4.725 2.504 -4.600) 7.054 8.749 ( 8.106 -5.840 -0.400) 9.999 8.897 ( 11.559 -4.393 -1.847) 12.503 9.384 ( -2.268 -0.730 -3.178) 3.972 10.137 ( 6.906 -7.886 2.365) 10.746 10.595 ( -2.430 10.443 6.651) 12.618 11.480 ( 2.925 2.347 -3.448) 5.095 12.616 ( -9.159 -1.269 -2.676) 9.626 12.713 ( 6.987 -2.228 -11.176) 13.368 12.915 ( 11.659 -6.209 10.769) 17.042 13.267 ( 7.196 -10.796 1.704) 13.086 13.984 ( 9.147 20.765 6.437) 23.586 15.681 ( -18.517 -1.949 -1.146) 18.654 17.268 ( 2.343 -9.143 -14.999) 17.721 18.265 ( -6.872 1.962 12.469) 14.372 19.570 ( 7.118 -5.981 -12.126) 15.280 20.190 ( 1.115 3.562 -2.222) 4.344 21.371 ( 5.338 3.670 3.062) 7.165 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -9.749 5.352 -2.015) 11.302 2.284 ( -12.565 11.672 11.720) 20.773 2.663 ( 0.719 -4.587 -1.032) 4.756 3.175 ( 9.484 -1.989 -7.091) 12.007 3.718 ( -0.757 -12.003 -1.189) 12.086 3.850 ( 8.514 3.368 -0.875) 9.197 4.747 ( 2.364 -1.275 -0.610) 2.754 5.498 ( -6.558 3.807 9.564) 12.206 6.219 ( 10.671 -9.931 -7.435) 16.364 6.564 ( -27.336 20.910 5.883) 34.916 7.133 ( -10.358 -0.008 0.531) 10.372 7.781 ( -2.144 10.868 3.593) 11.645 8.419 ( 2.657 6.857 -1.454) 7.496 8.784 ( 15.477 -5.845 -2.877) 16.792 8.871 ( 4.050 -3.187 0.118) 5.155 9.417 ( 4.718 5.769 -1.535) 7.609 10.050 ( 0.180 -5.166 0.187) 5.173 10.516 ( -17.565 -11.397 -1.694) 21.007 11.349 ( -3.465 1.644 -7.742) 8.639 12.350 ( -2.031 -3.192 -8.723) 9.508 12.709 ( 5.858 2.352 2.800) 6.905 12.866 ( 5.925 -5.909 5.236) 9.871 13.621 ( 16.057 -3.312 16.227) 23.068 14.181 ( -4.172 -15.515 -1.162) 16.108 15.852 ( 2.290 19.119 16.730) 25.508 16.953 ( 1.643 2.253 -12.019) 12.338 18.314 ( -10.751 3.257 -2.208) 11.449 19.389 ( 5.912 -0.386 -10.152) 11.755 20.262 ( 1.616 4.172 -6.510) 7.899 21.363 ( -1.878 -8.564 1.386) 8.877 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -6.946 14.763 -0.341) 16.319 2.287 ( -8.703 11.808 11.480) 18.627 2.647 ( 2.252 -3.355 -1.482) 4.304 3.207 ( 3.377 -5.285 -6.919) 9.338 3.601 ( -0.168 -10.104 -0.055) 10.106 3.995 ( 7.077 1.737 -3.019) 7.888 4.745 ( 0.987 -5.651 -0.142) 5.738 5.469 ( -3.533 -2.135 7.894) 8.908 6.210 ( 3.054 -8.050 -4.682) 9.801 6.433 ( -19.164 26.449 4.068) 32.914 7.003 ( -8.722 4.582 3.541) 10.470 7.865 ( -1.539 10.095 0.749) 10.239 8.560 ( 3.677 8.775 0.779) 9.546 8.848 ( 5.338 -8.309 -0.506) 9.889 9.023 ( 13.276 2.214 -3.093) 13.810 9.572 ( 6.986 6.967 0.970) 9.914 9.759 ( -26.383 -11.249 -3.020) 28.840 10.248 ( 2.322 -9.875 -3.459) 10.718 11.323 ( 2.227 1.259 -3.868) 4.637 12.257 ( -1.499 -2.542 -6.194) 6.861 12.837 ( 6.517 0.698 -0.416) 6.568 13.022 ( 12.516 -2.070 9.687) 15.962 13.662 ( -8.493 -9.107 -2.143) 12.635 14.154 ( 14.145 -14.683 18.376) 27.447 16.191 ( 1.459 21.094 20.164) 29.218 16.960 ( 4.018 5.964 -14.565) 16.244 18.111 ( -14.221 2.091 -5.889) 15.534 19.417 ( 4.263 0.993 -10.856) 11.705 20.289 ( 1.474 5.985 -9.359) 11.207 21.215 ( -4.525 -13.512 1.354) 14.314 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 1.989 19.787 3.684) 20.225 2.344 ( -3.657 9.503 8.005) 12.953 2.646 ( 1.458 -2.098 -0.973) 2.734 3.126 ( -1.888 -6.642 -2.770) 7.440 3.523 ( 1.575 -8.869 -2.362) 9.312 4.033 ( -0.130 -1.381 -6.043) 6.200 4.668 ( -1.500 -8.834 -0.563) 8.978 5.462 ( 0.182 -2.615 7.572) 8.013 6.161 ( 2.480 -5.548 -1.948) 6.381 6.454 ( -13.945 28.759 2.584) 32.066 7.011 ( -0.080 6.928 6.428) 9.451 7.924 ( -2.166 8.550 0.279) 8.824 8.582 ( -10.789 4.667 -4.216) 12.488 8.858 ( 2.709 -8.354 3.572) 9.482 9.184 ( 1.222 1.994 -9.996) 10.266 9.296 ( -4.314 -10.754 4.657) 12.488 9.763 ( 7.084 7.324 1.245) 10.265 10.233 ( 5.554 -6.323 -2.797) 8.868 11.390 ( 7.185 0.009 -1.468) 7.333 12.178 ( -2.852 -0.515 -5.515) 6.230 12.931 ( 5.524 -1.600 1.255) 5.887 13.182 ( -0.536 -6.444 1.733) 6.694 13.514 ( 8.076 -2.584 1.997) 8.711 14.355 ( 9.524 -11.556 21.055) 25.837 16.450 ( -6.606 18.995 16.350) 25.919 17.028 ( 7.285 5.944 -12.720) 15.818 17.887 ( -9.936 2.008 -5.649) 11.605 19.405 ( 0.637 1.242 -12.483) 12.561 20.307 ( -0.066 7.237 -10.214) 12.519 21.008 ( -5.092 -15.623 1.726) 16.523 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 8.209 15.887 5.610) 18.741 2.421 ( 0.179 4.990 4.495) 6.719 2.638 ( -0.561 -0.800 -0.151) 0.989 3.033 ( -1.666 -4.387 0.200) 4.697 3.454 ( 2.172 -7.796 -5.228) 9.635 3.920 ( -5.739 -2.523 -4.566) 7.755 4.541 ( -3.011 -8.981 -2.965) 9.925 5.496 ( -0.721 0.450 7.643) 7.691 6.176 ( 9.500 -11.776 -1.664) 15.221 6.530 ( -12.874 32.230 3.179) 34.851 7.187 ( 8.717 6.767 7.090) 13.117 7.933 ( -7.502 4.535 2.304) 9.064 8.318 ( -13.416 2.517 -9.507) 16.635 8.804 ( -2.279 -4.501 2.797) 5.768 9.116 ( 1.689 -8.146 1.580) 8.467 9.356 ( 7.029 -1.454 -4.222) 8.327 9.927 ( 3.873 5.886 3.105) 7.700 10.258 ( 5.458 -4.781 -2.726) 7.751 11.522 ( 9.543 -0.953 0.167) 9.592 12.084 ( -4.870 -0.054 -5.114) 7.062 12.951 ( -2.248 -6.967 1.489) 7.470 13.068 ( -0.380 -0.316 -1.508) 1.587 13.785 ( 17.116 1.093 5.603) 18.043 14.452 ( 1.118 -9.186 16.890) 19.258 16.476 ( -17.096 14.956 6.236) 23.555 17.159 ( 6.626 4.861 1.602) 8.373 17.829 ( 5.303 2.500 -8.212) 10.090 19.311 ( -4.053 0.542 -13.799) 14.392 20.307 ( -1.764 7.735 -8.807) 11.854 20.810 ( -3.141 -14.792 2.414) 15.313 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 0.548 0.597 -1.891) 2.057 2.611 ( 4.991 6.122 9.465) 12.328 2.624 ( 1.278 1.793 -0.590) 2.279 3.005 ( 2.082 -3.211 0.313) 3.839 3.375 ( 0.218 -7.001 -8.167) 10.759 3.850 ( -0.904 4.142 2.018) 4.696 4.378 ( -4.023 -8.728 -4.356) 10.552 5.524 ( -3.386 4.250 6.563) 8.520 6.150 ( 2.249 -13.976 -3.533) 14.590 6.718 ( 0.517 26.486 3.832) 26.767 7.464 ( 13.803 4.702 5.969) 15.756 7.759 ( -12.436 -1.327 -0.716) 12.528 8.252 ( 1.995 6.860 -6.240) 9.486 8.750 ( -3.509 -1.094 3.656) 5.184 9.045 ( -1.870 -7.554 -0.165) 7.784 9.412 ( 6.451 -4.517 -4.263) 8.955 10.018 ( -1.023 3.987 4.575) 6.154 10.271 ( 3.153 -4.815 -3.100) 6.537 11.636 ( 5.527 -1.961 -1.265) 5.999 11.982 ( -4.308 -0.001 -2.605) 5.034 12.848 ( -3.419 -1.695 -0.697) 3.879 13.099 ( 2.899 -2.125 2.373) 4.307 14.035 ( 7.130 -1.879 7.072) 10.217 14.427 ( -3.523 -2.187 4.425) 6.064 16.333 ( -17.740 9.936 9.651) 22.507 17.319 ( 2.324 5.767 9.808) 11.613 17.965 ( 17.257 -0.650 -16.679) 24.009 19.157 ( -6.034 0.593 -10.124) 11.801 20.304 ( -2.066 7.811 -5.710) 9.894 20.669 ( -0.941 -12.135 2.481) 12.422 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -4.075 -0.398 -1.127) 4.247 2.671 ( 3.888 0.595 1.726) 4.296 2.766 ( 4.446 1.118 1.621) 4.862 3.031 ( 5.039 -3.455 -1.205) 6.227 3.254 ( -2.818 -4.271 -4.564) 6.856 3.934 ( 1.392 2.548 1.189) 3.138 4.273 ( 2.272 -1.844 -0.242) 2.936 5.548 ( -4.164 7.131 5.192) 9.755 5.960 ( -7.472 -11.003 -4.848) 14.157 7.034 ( 10.160 16.514 1.996) 19.492 7.538 ( -2.719 -7.919 -2.691) 8.794 7.827 ( 16.230 6.486 4.673) 18.092 8.322 ( 4.391 0.083 -3.439) 5.578 8.727 ( -3.680 5.197 3.909) 7.472 8.939 ( -3.756 -3.018 -2.828) 5.587 9.426 ( 4.905 -7.812 -2.733) 9.621 10.024 ( -5.163 2.451 5.487) 7.923 10.221 ( -1.070 -5.855 -3.420) 6.864 11.620 ( -2.950 -2.596 -4.360) 5.870 11.941 ( -0.693 1.698 0.280) 1.855 12.816 ( -0.498 1.344 0.396) 1.487 13.131 ( 2.950 -4.471 2.957) 6.118 13.972 ( -12.553 -8.447 6.822) 16.598 14.406 ( -3.206 8.873 -8.295) 12.562 16.272 ( -8.418 6.027 19.046) 21.678 17.427 ( -2.284 6.546 7.595) 10.283 18.107 ( 18.701 -8.165 -25.164) 32.398 19.075 ( -1.672 3.327 0.886) 3.827 20.329 ( -0.457 6.928 -1.785) 7.169 20.578 ( -0.495 -7.973 1.526) 8.133 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -5.665 0.662 0.953) 5.782 2.714 ( 3.418 -5.883 -3.820) 7.803 2.813 ( 3.152 -1.619 -1.890) 4.016 3.088 ( 5.957 -1.920 -1.127) 6.360 3.189 ( -2.756 1.224 2.050) 3.647 3.926 ( 1.023 -2.068 -0.780) 2.436 4.411 ( 8.149 4.513 3.121) 9.825 5.573 ( -4.189 5.842 2.862) 7.738 5.710 ( -10.115 -3.779 -3.148) 11.247 7.244 ( -0.698 6.009 -3.786) 7.137 7.506 ( 15.813 -13.127 -0.763) 20.566 8.139 ( 9.540 1.067 0.353) 9.606 8.399 ( 11.484 -0.765 5.230) 12.642 8.756 ( -2.288 3.892 -1.150) 4.659 8.863 ( -3.978 9.320 -3.771) 10.813 9.394 ( 2.653 -10.470 -0.218) 10.803 9.968 ( -7.483 0.567 5.245) 9.155 10.104 ( -3.751 -5.320 -3.249) 7.275 11.468 ( -8.074 -3.919 -4.248) 9.929 11.992 ( 2.267 5.088 1.203) 5.699 12.849 ( 1.199 2.926 0.957) 3.304 13.143 ( 2.907 -5.921 1.815) 6.841 13.659 ( -18.361 -6.567 0.503) 19.507 14.328 ( -11.879 10.103 -9.025) 18.017 16.373 ( -0.351 4.001 20.365) 20.757 17.447 ( -4.807 6.262 -1.232) 7.990 18.125 ( 14.379 -14.760 -19.548) 28.403 19.171 ( 4.568 4.478 7.000) 9.483 20.378 ( 1.184 -1.944 3.000) 3.766 20.543 ( -0.077 4.691 -0.887) 4.775 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -4.875 0.022 0.368) 4.889 2.667 ( 1.804 -5.393 -3.811) 6.846 2.800 ( 1.581 -7.242 -3.313) 8.120 3.137 ( 1.350 -3.578 3.032) 4.880 3.220 ( 1.674 6.171 0.870) 6.453 3.970 ( 4.288 0.200 1.709) 4.620 4.558 ( 3.982 2.138 0.885) 4.606 5.495 ( -3.602 0.240 -3.256) 4.862 5.638 ( -6.297 9.108 3.705) 11.676 7.180 ( -1.710 -3.695 -4.640) 6.173 7.676 ( 20.073 -17.408 -1.462) 26.611 8.153 ( 1.123 -6.368 -0.700) 6.504 8.562 ( -6.879 3.058 4.762) 8.908 8.701 ( -4.110 3.320 -2.852) 6.005 9.084 ( 17.795 16.112 0.515) 24.011 9.318 ( 0.688 -10.298 1.291) 10.401 9.849 ( -6.789 -3.772 -0.252) 7.770 10.008 ( -3.127 -1.232 0.325) 3.377 11.296 ( -6.421 -1.914 -1.987) 6.989 12.100 ( 4.178 4.313 1.988) 6.326 12.895 ( -0.503 3.153 -0.343) 3.211 13.130 ( -0.078 -4.369 -1.392) 4.586 13.354 ( -11.345 -1.859 0.492) 11.507 14.125 ( -17.455 8.408 -8.629) 21.209 16.495 ( -2.045 3.364 12.441) 13.049 17.381 ( -2.685 0.500 -11.159) 11.489 18.137 ( 11.683 -13.109 -1.045) 17.590 19.315 ( 4.924 0.971 4.799) 6.944 20.332 ( -1.968 -8.185 3.650) 9.176 20.684 ( 5.058 14.824 0.101) 15.664 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -0.215 -0.245 -1.128) 1.174 2.631 ( -1.807 -4.209 -0.114) 4.581 2.723 ( 2.034 -7.245 -2.144) 7.825 3.111 ( -2.743 -3.513 3.596) 5.727 3.324 ( 3.592 5.423 0.356) 6.515 4.030 ( 3.348 -4.432 0.818) 5.614 4.599 ( -0.722 3.706 -0.424) 3.799 5.511 ( -1.890 10.433 0.151) 10.604 5.647 ( -0.479 4.149 1.454) 4.422 7.114 ( 0.570 -3.775 -2.632) 4.637 7.750 ( 11.738 -23.280 -0.567) 26.077 8.107 ( 1.022 -6.303 -0.285) 6.392 8.449 ( -11.050 8.302 1.136) 13.868 8.604 ( -6.798 -0.474 -4.173) 7.991 9.123 ( -6.200 -12.478 2.495) 14.155 9.558 ( 1.088 3.579 7.340) 8.238 9.836 ( 19.798 10.013 -6.898) 23.234 9.977 ( -0.890 0.073 2.281) 2.450 11.234 ( -0.644 1.337 1.177) 1.894 12.217 ( 6.358 -0.064 3.295) 7.161 12.840 ( -6.714 1.341 -4.138) 8.000 13.008 ( -4.194 -5.516 -4.094) 8.048 13.391 ( 5.389 10.743 5.674) 13.291 13.843 ( -19.361 5.335 -9.609) 22.263 16.468 ( -9.944 1.851 1.827) 10.278 17.267 ( 2.028 -7.712 -13.699) 15.851 18.242 ( 8.431 -7.395 12.258) 16.614 19.384 ( 3.406 -3.215 0.157) 4.686 20.243 ( -3.249 -5.150 3.245) 6.900 20.930 ( 7.518 14.481 1.214) 16.361 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 3.711 0.334 -1.433) 3.992 2.493 ( -8.128 -6.124 1.300) 10.260 2.755 ( 5.635 -0.949 0.767) 5.766 3.024 ( -5.261 -4.926 2.491) 7.625 3.434 ( 4.011 5.174 0.036) 6.547 3.999 ( 1.956 -9.837 -0.846) 10.065 4.633 ( -0.172 6.061 -1.022) 6.149 5.523 ( -12.540 14.432 6.619) 20.233 5.782 ( 14.015 0.016 -3.677) 14.490 7.090 ( -1.807 0.911 -0.276) 2.042 7.606 ( -5.169 -16.422 1.741) 17.305 8.039 ( -3.651 -7.796 1.955) 8.827 8.432 ( -0.708 4.094 -0.942) 4.260 8.490 ( 0.578 -1.548 -5.477) 5.720 8.905 ( -8.495 -9.086 1.157) 12.492 9.476 ( -4.533 -4.745 0.084) 6.563 9.974 ( 1.694 -2.017 0.809) 2.755 10.365 ( 19.595 17.869 2.174) 26.609 11.302 ( 4.744 2.426 3.443) 6.344 12.354 ( 10.683 -3.930 5.678) 12.720 12.741 ( -3.478 2.727 -3.957) 5.932 12.872 ( -3.412 -6.126 -5.354) 8.823 13.507 ( -18.851 0.581 -10.403) 21.539 13.691 ( 9.201 18.639 7.457) 22.084 16.244 ( -15.672 -3.229 -4.206) 16.544 17.161 ( 3.990 -10.213 -11.983) 16.242 18.368 ( 2.710 -3.018 15.112) 15.647 19.381 ( 3.419 -5.530 -4.364) 7.830 20.190 ( -1.795 -0.789 2.808) 3.425 21.173 ( 6.844 10.658 1.317) 12.734 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 1.972 -9.325 -2.895) 9.961 2.327 ( -11.512 7.951 5.818) 15.153 2.846 ( -2.105 1.250 2.707) 3.650 2.917 ( 4.598 -6.292 -1.840) 8.007 3.552 ( 5.122 5.292 -0.369) 7.374 3.926 ( 2.286 -11.446 -1.688) 11.794 4.681 ( 0.720 4.350 -1.463) 4.645 5.497 ( -11.518 12.792 9.508) 19.664 5.985 ( 15.340 -2.511 -5.836) 16.604 7.020 ( -14.103 6.992 2.300) 15.908 7.401 ( -6.585 -6.353 2.220) 9.416 7.873 ( -9.467 -5.582 3.196) 11.446 8.420 ( -0.472 0.827 -2.199) 2.396 8.539 ( 8.539 -6.192 -5.958) 12.114 8.773 ( -0.431 -1.847 2.094) 2.825 9.381 ( -1.910 -2.920 -2.164) 4.106 9.995 ( 3.840 -3.661 0.515) 5.330 10.710 ( 4.750 10.802 3.711) 12.370 11.432 ( 5.027 2.499 1.281) 5.758 12.529 ( 9.847 -3.816 1.736) 10.702 12.716 ( -6.026 -3.397 -6.361) 9.398 12.780 ( 6.320 1.297 4.391) 7.804 13.180 ( -10.049 -5.304 -6.767) 13.226 14.062 ( 8.907 18.582 7.166) 21.817 15.911 ( -15.845 -6.508 -3.100) 17.408 17.070 ( 3.001 -7.724 -10.761) 13.582 18.429 ( -2.873 0.616 11.131) 11.512 19.360 ( 4.695 -5.090 -7.522) 10.225 20.199 ( 0.357 2.055 1.042) 2.331 21.342 ( 4.412 4.800 1.238) 6.636 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -5.338 5.681 0.456) 7.809 2.531 ( 3.104 -1.503 0.209) 3.455 2.673 ( -10.523 2.874 5.078) 12.032 2.984 ( 9.015 1.524 -5.055) 10.447 3.597 ( 0.326 -9.285 -3.325) 9.868 3.822 ( 1.694 7.769 0.937) 8.007 4.704 ( 0.669 -2.569 0.494) 2.700 5.712 ( -11.048 1.906 7.958) 13.749 5.870 ( 13.094 -12.282 -9.090) 20.123 7.077 ( -11.510 5.371 2.419) 12.930 7.298 ( -5.538 10.926 0.135) 12.250 7.911 ( -0.130 7.879 1.102) 7.957 8.424 ( 1.827 2.957 -0.026) 3.476 8.498 ( 9.363 -4.350 -0.363) 10.331 8.808 ( 3.649 1.886 -1.034) 4.236 9.387 ( 3.830 3.746 0.524) 5.383 9.975 ( 2.144 -1.372 -0.523) 2.598 10.675 ( -14.330 -11.796 -1.174) 18.598 11.386 ( -5.124 -0.975 -5.346) 7.469 12.375 ( -8.447 1.746 -8.750) 12.287 12.701 ( 2.376 4.711 3.508) 6.336 12.776 ( 1.786 -5.058 4.260) 6.850 13.377 ( 21.098 -1.306 14.909) 25.867 14.120 ( -8.494 -16.371 -6.422) 19.529 15.992 ( 9.639 13.470 10.366) 19.540 16.942 ( -1.487 4.541 -0.631) 4.819 18.454 ( -5.436 1.817 -5.807) 8.160 19.286 ( 2.125 1.899 -1.821) 3.382 20.228 ( 1.236 0.745 -4.273) 4.510 21.337 ( -3.105 -6.663 0.285) 7.356 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -4.709 8.670 0.604) 9.885 2.574 ( -4.618 5.426 5.353) 8.912 2.588 ( -1.477 0.075 1.014) 1.793 3.087 ( 5.027 1.809 -5.054) 7.355 3.495 ( 0.169 -9.467 -3.344) 10.041 3.929 ( 3.140 5.952 -0.490) 6.748 4.684 ( 0.649 -4.989 0.392) 5.046 5.578 ( -8.949 -3.153 5.802) 11.122 5.908 ( 12.293 -13.844 -7.209) 19.868 6.969 ( -12.448 11.202 3.903) 17.194 7.292 ( -13.697 19.229 2.334) 23.724 7.976 ( -1.620 8.019 0.484) 8.195 8.536 ( 6.819 3.608 2.502) 8.110 8.616 ( 12.442 -7.597 -2.675) 14.821 8.925 ( 5.400 9.504 -1.598) 11.047 9.522 ( 6.954 5.906 0.166) 9.126 9.968 ( -5.057 -3.731 -0.603) 6.313 10.195 ( -19.200 -17.801 -3.583) 26.426 11.295 ( -1.152 -1.191 -3.657) 4.015 12.249 ( -3.933 0.458 -5.196) 6.533 12.792 ( 3.118 3.511 0.739) 4.753 12.880 ( 8.874 -1.025 9.026) 12.699 13.674 ( -2.217 -8.351 1.957) 8.859 13.863 ( 13.033 -14.886 7.821) 21.275 16.351 ( 10.344 12.484 11.114) 19.656 16.969 ( -2.391 8.965 0.414) 9.287 18.299 ( -11.024 2.630 -9.669) 14.897 19.332 ( 2.314 2.779 -3.500) 5.032 20.244 ( 2.889 2.884 -7.376) 8.430 21.181 ( -5.515 -12.209 0.447) 13.404 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 1.640 10.415 0.862) 10.579 2.535 ( -6.700 5.434 5.063) 10.003 2.636 ( 0.885 2.664 2.854) 4.003 3.113 ( -0.771 1.491 -3.019) 3.454 3.397 ( 0.909 -9.141 -3.724) 9.912 3.992 ( 0.687 1.541 -3.275) 3.684 4.628 ( -1.737 -5.624 -0.273) 5.892 5.479 ( -2.334 -3.185 5.135) 6.478 5.918 ( 9.291 -13.988 -5.215) 17.583 6.960 ( -7.912 16.921 5.160) 19.379 7.250 ( -15.802 19.315 4.748) 25.403 8.023 ( -1.359 7.491 -0.176) 7.615 8.663 ( 3.264 1.045 -4.122) 5.360 8.719 ( 8.450 -5.567 4.319) 11.002 9.109 ( 6.108 11.373 -4.982) 13.837 9.458 ( -25.733 -16.826 -2.837) 30.877 9.720 ( 6.773 5.603 4.300) 9.785 10.071 ( 5.283 -4.882 -3.168) 7.860 11.292 ( 3.951 -1.261 -0.787) 4.222 12.178 ( -2.236 -1.178 -3.471) 4.294 12.879 ( 2.851 2.855 1.100) 4.182 13.083 ( 9.425 -2.056 6.672) 11.729 13.433 ( -3.458 -8.402 -3.836) 9.863 14.145 ( 17.445 -9.733 16.571) 25.955 16.603 ( 5.937 5.738 -2.570) 8.648 17.065 ( -0.908 12.639 10.864) 16.692 18.067 ( -13.784 3.393 -9.284) 16.961 19.353 ( 0.294 1.930 -5.859) 6.175 20.286 ( 2.934 5.477 -8.835) 10.801 20.961 ( -6.048 -15.356 0.894) 16.528 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 6.634 6.224 -1.227) 9.179 2.532 ( -3.560 6.101 6.410) 9.539 2.684 ( -1.768 4.479 4.338) 6.481 3.069 ( -4.169 0.248 0.100) 4.177 3.319 ( 2.027 -7.199 -5.293) 9.163 3.941 ( -2.999 -1.642 -3.803) 5.114 4.522 ( -4.665 -5.134 -2.112) 7.251 5.514 ( 3.121 1.022 5.658) 6.542 5.901 ( 8.411 -13.687 -3.637) 16.471 7.062 ( -9.469 25.197 4.326) 27.264 7.217 ( -5.881 7.327 6.330) 11.329 8.065 ( -2.402 6.327 0.728) 6.807 8.527 ( -16.514 -1.551 -9.737) 19.234 8.781 ( 2.469 -5.318 4.724) 7.529 9.043 ( -3.079 -10.771 1.711) 11.332 9.264 ( 3.355 5.484 -3.342) 7.246 9.914 ( 7.000 6.339 2.690) 9.819 10.105 ( 5.846 -3.733 -3.286) 7.675 11.389 ( 7.885 0.625 1.688) 8.088 12.102 ( -2.627 -3.262 -3.029) 5.169 12.917 ( 0.144 -3.086 0.783) 3.187 13.091 ( -2.631 0.043 -1.661) 3.112 13.556 ( 16.691 2.264 3.837) 17.275 14.370 ( 10.281 -10.186 16.138) 21.677 16.620 ( 0.571 2.272 -17.744) 17.898 17.280 ( 1.233 11.034 21.387) 24.097 17.856 ( -10.888 4.157 -5.911) 13.068 19.299 ( -2.936 -0.452 -8.506) 9.009 20.329 ( 1.138 7.163 -8.400) 11.098 20.744 ( -3.995 -14.957 1.915) 15.599 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 2.983 -0.513 -1.596) 3.422 2.615 ( 1.347 6.055 2.621) 6.734 2.710 ( -2.782 3.921 5.573) 7.361 3.003 ( -3.354 -1.313 1.214) 3.801 3.267 ( 1.593 -4.204 -5.506) 7.108 3.898 ( -0.280 2.502 0.643) 2.598 4.363 ( -6.027 -6.123 -4.080) 9.512 5.606 ( 0.975 3.345 4.019) 5.319 5.916 ( 9.355 -10.377 -1.627) 14.066 7.072 ( -14.280 17.870 1.727) 22.939 7.345 ( 9.334 2.841 6.357) 11.645 7.959 ( -15.277 -3.013 -1.560) 15.649 8.278 ( -3.874 3.837 -5.202) 7.536 8.791 ( 0.135 -1.325 3.477) 3.723 8.977 ( 1.324 -8.180 0.557) 8.305 9.322 ( 1.352 3.042 -2.514) 4.171 10.070 ( 3.219 5.471 3.278) 7.144 10.141 ( 5.055 -3.671 -3.686) 7.254 11.537 ( 6.592 1.470 2.247) 7.118 12.011 ( -2.474 -3.345 -2.032) 4.630 12.861 ( -1.535 -3.304 -0.319) 3.657 13.085 ( -0.321 2.833 -1.057) 3.041 13.880 ( 15.764 4.567 1.502) 16.481 14.453 ( 1.115 -8.858 12.421) 15.297 16.523 ( -1.018 0.889 -16.043) 16.100 17.501 ( 0.295 7.245 19.612) 20.910 17.739 ( -4.036 2.469 -5.064) 6.930 19.177 ( -3.915 -1.880 -7.710) 8.849 20.356 ( -0.464 6.182 -5.765) 8.466 20.598 ( -1.075 -10.198 2.313) 10.513 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.971 ( -0.000 0.000 0.000) 0.000 3.239 ( -0.000 0.000 0.000) 0.000 3.943 ( -0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 5.638 ( -0.000 0.000 0.000) 0.000 5.951 ( 0.000 0.000 0.000) 0.000 7.035 ( 0.000 0.000 0.000) 0.000 7.524 ( -0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 8.277 ( -0.000 0.000 0.000) 0.000 8.799 ( 0.000 0.000 0.000) 0.000 8.942 ( 0.000 0.000 0.000) 0.000 9.340 ( -0.000 0.000 0.000) 0.000 10.143 ( -0.000 0.000 0.000) 0.000 10.144 ( 0.000 -0.000 -0.000) 0.000 11.609 ( 0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 12.831 ( 0.000 0.000 0.000) 0.000 13.094 ( -0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 14.430 ( 0.000 0.000 0.000) 0.000 16.468 ( 0.000 0.000 0.000) 0.000 17.602 ( 0.000 0.000 -0.000) 0.000 17.704 ( -0.000 0.000 0.000) 0.000 19.105 ( 0.000 0.000 0.000) 0.000 20.364 ( -0.000 0.000 0.000) 0.000 20.550 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 0.000 0.000 25.919) 25.919 0.435 ( 0.000 -0.000 25.919) 25.919 1.006 ( 0.000 -0.000 58.876) 58.876 3.329 ( -0.000 0.000 -2.702) 2.702 4.120 ( -0.000 0.000 -5.506) 5.506 4.120 ( -0.000 0.000 -5.506) 5.506 5.113 ( -0.000 0.000 -0.885) 0.885 5.113 ( -0.000 0.000 -0.885) 0.885 6.428 ( -0.000 0.000 -2.842) 2.842 7.012 ( 0.000 0.000 -0.532) 0.532 7.012 ( 0.000 0.000 -0.532) 0.532 7.151 ( -0.000 0.000 -5.279) 5.279 8.237 ( 0.000 0.000 5.660) 5.660 8.237 ( 0.000 -0.000 5.660) 5.660 9.399 ( 0.000 0.000 1.964) 1.964 9.399 ( 0.000 -0.000 1.964) 1.964 9.751 ( 0.000 -0.000 2.229) 2.229 10.727 ( -0.000 0.000 -3.667) 3.667 11.545 ( -0.000 0.000 -7.317) 7.317 11.545 ( -0.000 0.000 -7.317) 7.317 13.428 ( 0.000 -0.000 1.527) 1.527 13.567 ( 0.000 0.000 1.537) 1.537 13.567 ( 0.000 -0.000 1.537) 1.537 14.600 ( 0.000 0.000 7.626) 7.626 14.600 ( 0.000 -0.000 7.626) 7.626 17.385 ( 0.000 -0.000 0.803) 0.803 17.654 ( -0.000 0.000 -3.711) 3.711 17.654 ( -0.000 0.000 -3.711) 3.711 20.274 ( -0.000 0.000 -1.057) 1.057 21.683 ( 0.000 -0.000 0.818) 0.818 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 4.275 37.979 11.911) 40.032 1.026 ( 15.689 6.429 29.878) 34.354 1.738 ( 44.109 13.336 36.951) 59.066 3.239 ( -4.498 -1.995 -4.418) 6.613 3.941 ( -7.626 -5.603 -9.773) 13.604 4.144 ( 1.565 -2.326 -2.639) 3.850 5.010 ( -4.294 -7.011 -4.117) 9.195 5.265 ( 6.257 9.064 -1.062) 11.065 5.944 ( -35.941 -25.014 27.022) 51.455 6.438 ( 2.430 1.494 -3.921) 4.849 6.987 ( -5.565 11.780 -1.623) 13.129 7.160 ( 6.455 0.815 5.874) 8.765 8.276 ( 4.772 -10.888 5.808) 13.231 9.064 ( 19.774 9.272 -18.689) 28.745 9.423 ( -1.107 -1.786 3.416) 4.011 9.452 ( -1.785 12.339 0.382) 12.473 9.718 ( -4.237 1.647 4.093) 6.117 10.620 ( -3.540 -0.291 -2.472) 4.327 11.424 ( -1.853 -4.412 -11.282) 12.255 12.342 ( 31.338 21.600 -36.563) 52.778 13.385 ( -7.729 -12.386 1.649) 14.692 13.424 ( -7.398 5.126 0.393) 9.009 13.625 ( 0.049 1.162 5.358) 5.483 14.658 ( 1.372 3.442 10.067) 10.727 14.759 ( 11.530 -8.353 12.936) 19.237 17.399 ( -9.152 4.964 -17.192) 20.099 17.717 ( 2.810 7.988 -2.524) 8.836 18.537 ( 64.317 24.185 -49.216) 84.522 20.251 ( -1.529 -0.860 -1.359) 2.219 21.633 ( -3.415 -1.999 2.446) 4.652 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 9.534 34.031 6.855) 35.999 1.451 ( 10.874 7.852 27.706) 30.782 2.690 ( 29.848 6.726 13.767) 33.550 3.200 ( 8.543 4.233 2.341) 9.818 3.705 ( -6.351 -4.660 -9.600) 12.418 4.104 ( -0.916 -5.128 -0.995) 5.304 4.809 ( -6.721 -9.750 -6.408) 13.465 5.356 ( -4.975 1.411 -0.645) 5.212 5.628 ( -2.948 -2.837 16.327) 16.832 6.481 ( 2.720 2.770 -4.119) 5.660 7.033 ( -3.635 15.017 -1.478) 15.522 7.311 ( 7.075 -0.518 7.243) 10.138 8.260 ( 3.664 -11.125 2.897) 12.066 9.192 ( 8.224 -3.148 -9.692) 13.095 9.360 ( -5.677 -3.901 2.293) 7.260 9.395 ( -9.816 -3.218 -0.873) 10.367 9.864 ( 2.521 23.820 6.282) 24.763 10.558 ( -2.737 -0.034 -2.815) 3.926 11.297 ( -0.397 -3.432 -12.795) 13.253 12.548 ( 4.417 7.652 -20.498) 22.321 13.116 ( -11.052 -11.393 1.195) 15.918 13.320 ( -11.697 3.038 2.845) 12.415 13.701 ( 4.439 0.104 5.064) 6.735 14.690 ( -6.456 -7.038 19.868) 22.044 14.999 ( 16.900 -3.927 10.767) 20.420 17.188 ( -8.805 4.886 -20.429) 22.776 17.857 ( 5.932 9.405 -1.497) 11.219 19.148 ( 30.926 6.927 -38.737) 50.050 20.202 ( -1.676 -1.415 -1.833) 2.858 21.580 ( -2.677 -1.686 0.938) 3.300 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 8.373 25.097 6.024) 27.134 1.840 ( 11.315 9.764 18.750) 23.978 2.793 ( -3.355 -2.981 -3.218) 5.522 3.348 ( -2.884 -8.311 -5.564) 10.409 3.838 ( 10.985 6.485 5.621) 13.939 4.032 ( -2.971 1.756 1.772) 3.879 4.618 ( 3.957 -11.724 -6.710) 14.076 5.261 ( -0.156 -4.332 4.302) 6.107 5.847 ( 11.375 13.208 10.033) 20.112 6.491 ( -2.419 0.995 -4.277) 5.013 7.112 ( -3.032 14.044 0.560) 14.378 7.459 ( 7.941 -0.863 7.044) 10.650 8.249 ( 5.084 -6.994 -0.843) 8.687 9.139 ( -9.973 -7.233 -2.069) 12.493 9.192 ( -10.485 -0.025 -0.483) 10.496 9.258 ( 5.352 -8.542 -4.014) 10.850 10.158 ( -0.392 22.147 4.675) 22.638 10.510 ( -0.218 0.919 -1.516) 1.786 11.222 ( 2.818 -0.950 -12.530) 12.878 12.495 ( -3.672 2.279 -11.736) 12.506 12.871 ( -8.784 -8.229 1.789) 12.169 13.167 ( -11.708 1.185 3.641) 12.318 13.787 ( 1.671 -1.551 6.954) 7.318 14.570 ( -10.660 -11.915 20.001) 25.606 15.315 ( 16.980 -1.163 12.143) 20.907 16.999 ( -5.618 4.215 -19.991) 21.189 18.051 ( 7.557 10.263 -0.713) 12.765 19.320 ( 12.231 -0.851 -26.281) 29.000 20.167 ( 0.801 -1.310 -3.098) 3.458 21.521 ( -2.787 -1.912 -0.829) 3.480 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 3.846 17.251 2.549) 17.857 2.185 ( 11.295 6.292 13.244) 18.509 2.723 ( -1.918 2.006 -1.322) 3.074 3.158 ( -5.503 -8.222 -6.997) 12.118 3.794 ( -3.307 -9.786 -1.724) 10.473 3.982 ( -14.173 6.625 1.296) 15.699 4.653 ( 8.582 -6.402 -4.997) 11.816 5.397 ( 13.275 -1.019 9.923) 16.606 6.311 ( 10.714 6.414 0.478) 12.496 6.350 ( 0.379 7.740 2.486) 8.138 7.208 ( -0.677 11.338 2.362) 11.601 7.638 ( 8.883 2.388 5.597) 10.768 8.279 ( 5.341 -2.586 -3.518) 6.899 8.884 ( -11.786 -9.050 -0.063) 14.860 8.989 ( -10.602 -2.781 0.012) 10.960 9.279 ( 5.452 -3.606 -4.296) 7.822 10.182 ( -9.375 2.038 0.122) 9.595 10.638 ( 5.439 12.191 1.203) 13.403 11.233 ( 5.994 2.632 -11.502) 13.235 12.381 ( -4.418 0.614 -7.578) 8.793 12.719 ( -4.544 -4.079 1.914) 6.399 13.023 ( -10.061 0.809 4.135) 10.908 13.757 ( -7.365 -9.981 13.546) 18.367 14.407 ( -8.876 -5.806 11.378) 15.554 15.625 ( 14.353 -2.598 12.515) 19.219 16.876 ( -1.333 3.224 -14.688) 15.096 18.262 ( 7.057 10.243 -0.855) 12.468 19.283 ( 2.748 -3.502 -17.031) 17.604 20.167 ( 2.561 -0.625 -3.820) 4.641 21.451 ( -2.426 -2.091 -2.281) 3.932 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -0.094 9.146 1.801) 9.322 2.459 ( 10.428 0.248 8.245) 13.296 2.739 ( -2.032 7.647 -0.533) 7.930 2.951 ( -6.001 -8.014 -5.968) 11.656 3.677 ( 0.411 -6.009 -1.283) 6.159 3.821 ( -10.701 3.902 0.465) 11.400 4.671 ( 3.895 -3.537 -4.410) 6.865 5.673 ( 11.926 3.423 9.484) 15.617 6.013 ( -14.935 -8.754 -6.852) 18.619 6.907 ( 21.837 14.533 6.548) 27.036 7.287 ( -2.498 6.503 0.701) 7.001 7.815 ( 5.322 3.257 2.562) 6.745 8.328 ( 5.041 -0.566 -3.101) 5.945 8.612 ( -11.555 -6.635 1.889) 13.458 8.840 ( -5.920 -2.110 0.789) 6.334 9.305 ( 3.692 -2.445 -2.451) 5.061 10.032 ( -7.030 -1.941 -0.476) 7.309 10.794 ( 2.052 5.937 -0.805) 6.333 11.323 ( 6.740 6.299 -8.588) 12.604 12.318 ( 0.881 2.638 -7.415) 7.920 12.667 ( -0.329 -1.733 1.984) 2.655 12.917 ( -7.567 2.331 3.967) 8.856 13.522 ( -15.037 -19.017 18.073) 30.239 14.330 ( -5.345 3.763 2.639) 7.049 15.818 ( 7.162 -7.146 7.562) 12.631 16.872 ( 3.853 3.304 -3.279) 6.043 18.421 ( 2.965 7.801 -3.913) 9.217 19.215 ( 2.601 -1.906 -7.629) 8.282 20.189 ( 2.128 1.150 -2.615) 3.562 21.387 ( -0.904 -2.086 -3.679) 4.325 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.495 0.623 4.116) 4.192 2.488 ( -10.804 -0.959 -1.865) 11.005 2.743 ( 3.291 -8.709 -2.263) 9.581 2.896 ( 3.929 8.822 0.716) 9.683 3.675 ( -2.490 5.455 0.851) 6.056 3.763 ( 3.562 -2.423 1.286) 4.496 4.683 ( 3.272 -1.304 -3.215) 4.769 5.646 ( -14.431 -7.164 -8.250) 18.100 5.959 ( 10.687 7.580 7.108) 14.906 7.160 ( -11.172 -3.011 0.847) 11.601 7.296 ( 5.851 1.755 1.291) 6.244 7.814 ( -4.536 -2.757 -4.700) 7.090 8.399 ( 4.660 1.122 0.664) 4.839 8.527 ( 0.840 1.543 8.252) 8.437 8.765 ( -2.120 1.157 -1.320) 2.752 9.336 ( 3.275 -0.412 0.076) 3.302 9.962 ( -0.104 0.178 -0.067) 0.217 10.795 ( -1.889 -1.571 -4.917) 5.496 11.438 ( 4.133 5.848 -2.830) 7.700 12.389 ( 8.863 5.002 -8.763) 13.429 12.683 ( 1.993 -1.421 3.052) 3.912 12.876 ( -4.750 4.615 3.345) 7.420 13.208 ( -11.663 -17.700 14.421) 25.638 14.306 ( -5.913 7.951 -0.300) 9.913 15.800 ( -0.777 -11.532 1.029) 11.604 17.009 ( 7.023 2.645 7.977) 10.952 18.427 ( -3.799 3.044 -8.249) 9.579 19.287 ( 7.916 2.680 1.980) 8.589 20.227 ( 0.781 3.713 -0.165) 3.798 21.346 ( 1.431 -2.048 -5.428) 5.975 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -14.194 -6.661 -1.658) 15.766 2.282 ( -3.524 -5.607 3.740) 7.605 2.709 ( 1.153 -4.637 -2.160) 5.244 3.088 ( 6.532 11.426 0.148) 13.162 3.704 ( -0.814 7.139 0.839) 7.234 3.874 ( 10.871 -4.237 1.654) 11.784 4.711 ( 2.062 0.989 -2.189) 3.165 5.341 ( -11.641 -3.159 -7.208) 14.052 6.245 ( 10.617 9.580 4.455) 14.978 6.734 ( -26.484 -16.743 -3.252) 31.501 7.286 ( -4.858 -3.169 0.284) 5.807 7.676 ( -5.214 -5.461 -2.734) 8.031 8.450 ( -0.953 -0.860 3.321) 3.560 8.668 ( 6.046 5.599 2.439) 8.594 8.830 ( 7.108 5.551 1.367) 9.121 9.399 ( 1.780 2.223 3.103) 4.212 10.015 ( 5.382 1.084 -1.593) 5.717 10.670 ( -4.938 -4.821 -7.311) 10.054 11.528 ( 1.888 3.703 2.359) 4.780 12.515 ( 6.203 -0.088 -8.975) 10.910 12.756 ( 4.932 -1.007 11.637) 12.679 12.833 ( -3.250 -1.106 4.712) 5.830 13.123 ( 5.983 1.423 -0.653) 6.185 14.275 ( -7.784 9.764 -1.028) 12.529 15.627 ( -5.530 -13.864 -1.020) 14.962 17.196 ( 7.265 0.038 11.844) 13.895 18.302 ( -7.746 1.503 -7.934) 11.189 19.501 ( 10.562 4.613 6.451) 13.208 20.274 ( -1.223 5.390 2.460) 6.050 21.333 ( 3.783 -1.854 -7.838) 8.898 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -21.498 -6.639 -1.927) 22.582 2.140 ( -8.762 -17.565 5.251) 20.319 2.721 ( 3.683 3.894 -1.184) 5.489 3.301 ( 6.275 11.952 -0.123) 13.499 3.772 ( 0.779 5.656 -2.303) 6.156 3.978 ( 7.789 -10.963 -0.442) 13.456 4.731 ( -1.420 4.898 -0.461) 5.121 5.169 ( -4.386 0.665 -2.149) 4.929 6.078 ( -27.047 -19.141 -4.908) 33.496 6.505 ( 7.246 6.770 2.753) 10.291 7.181 ( -4.670 -0.391 0.210) 4.691 7.502 ( -6.903 -8.723 -0.296) 11.128 8.385 ( -6.330 -2.377 1.815) 7.001 8.866 ( 10.599 8.023 -1.435) 13.370 9.026 ( 8.870 3.840 2.151) 9.902 9.453 ( -2.009 4.297 5.946) 7.606 10.062 ( 2.958 -5.568 -7.105) 9.499 10.527 ( -3.179 -0.624 -3.783) 4.981 11.592 ( -0.130 1.344 6.968) 7.098 12.492 ( 1.429 -0.776 -6.673) 6.868 12.866 ( 6.266 -2.287 6.788) 9.517 12.983 ( 10.749 3.342 8.836) 14.310 13.305 ( 12.087 7.375 -6.267) 15.485 14.230 ( -8.813 10.987 -1.440) 14.158 15.380 ( -7.911 -14.904 -0.576) 16.883 17.363 ( 7.550 -2.813 10.414) 13.167 18.140 ( -10.025 2.583 -5.108) 11.544 19.753 ( 10.489 4.511 7.420) 13.617 20.301 ( -3.686 4.318 4.026) 6.960 21.341 ( 5.250 -1.035 -10.562) 11.840 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -23.503 -5.762 3.631) 24.470 1.750 ( -19.784 -20.441 3.611) 28.676 2.821 ( 0.160 2.148 -1.258) 2.494 3.404 ( -9.045 -1.415 -1.512) 9.279 3.724 ( -2.623 3.658 -3.883) 5.944 3.961 ( 7.616 -8.805 -0.719) 11.664 4.822 ( 4.431 8.896 3.818) 10.646 5.173 ( 2.495 1.786 0.297) 3.083 5.563 ( -14.559 -11.578 -4.900) 19.236 6.611 ( -0.121 1.108 1.327) 1.733 7.149 ( -4.472 7.548 -1.026) 8.833 7.322 ( -3.535 -12.877 3.754) 13.871 8.258 ( -5.858 -2.543 -1.164) 6.491 9.078 ( 8.131 4.648 -5.072) 10.651 9.215 ( 10.638 4.323 2.216) 11.695 9.483 ( -4.986 6.143 7.669) 11.019 9.904 ( -4.855 -11.203 -8.785) 15.042 10.539 ( 2.162 3.687 -0.291) 4.285 11.627 ( -1.367 -0.365 8.656) 8.771 12.535 ( 6.439 6.023 -9.593) 13.029 13.023 ( 11.957 -0.985 2.339) 12.223 13.219 ( 8.061 3.044 7.611) 11.496 13.535 ( 10.629 4.891 1.796) 11.837 14.196 ( -6.223 11.583 -2.731) 13.430 15.108 ( -8.653 -15.001 0.397) 17.322 17.502 ( 7.975 -4.172 6.172) 10.913 17.980 ( -11.386 4.100 -2.069) 12.277 19.986 ( 8.934 4.163 5.109) 11.102 20.270 ( -5.304 0.111 2.317) 5.789 21.359 ( 5.221 0.505 -11.705) 12.827 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -24.301 -2.879 16.245) 29.373 1.222 ( -26.807 -16.823 3.839) 31.881 2.371 ( -41.745 -27.225 0.195) 49.839 3.247 ( 1.552 0.872 -2.003) 2.680 3.873 ( 8.883 9.242 -3.437) 13.272 4.036 ( 7.599 -2.762 0.059) 8.086 5.014 ( 6.459 5.237 2.389) 8.652 5.257 ( 5.614 2.736 3.431) 7.126 5.340 ( -4.572 -2.965 -1.743) 5.722 6.570 ( -3.758 -1.953 -0.352) 4.250 7.099 ( -9.069 8.323 -3.550) 12.811 7.217 ( -1.375 -10.981 8.032) 13.675 8.172 ( 0.093 -3.262 -2.037) 3.847 9.149 ( 4.209 0.495 -8.326) 9.343 9.455 ( 10.648 4.986 1.646) 11.872 9.486 ( -5.523 3.205 6.184) 8.890 9.689 ( -7.127 -4.183 -3.025) 8.800 10.604 ( 2.026 2.533 -0.623) 3.303 11.641 ( -1.308 -0.849 5.217) 5.445 12.666 ( 8.764 7.962 -14.320) 18.581 13.244 ( 12.775 2.644 2.095) 13.213 13.354 ( 4.466 0.907 -0.882) 4.642 13.705 ( -0.894 3.237 11.105) 11.601 14.254 ( 4.220 8.211 0.412) 9.241 14.845 ( -7.772 -14.127 1.489) 16.192 17.603 ( 6.412 -3.216 0.189) 7.176 17.836 ( -11.080 5.120 -0.107) 12.206 20.086 ( -3.414 -2.229 -22.761) 23.123 20.195 ( 2.034 -1.106 5.952) 6.386 21.395 ( 4.851 2.419 -6.003) 8.088 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 28.742 23.239 14.389) 39.663 1.213 ( -3.693 24.724 24.450) 34.967 1.905 ( -9.750 29.039 43.481) 53.188 3.217 ( 0.762 -5.283 -3.731) 6.512 3.875 ( -1.498 -9.689 -12.122) 15.590 4.110 ( -2.889 -0.359 -4.256) 5.157 5.077 ( -9.875 -1.988 -2.765) 10.446 5.182 ( 11.182 4.784 -2.233) 12.366 6.065 ( -4.673 -44.267 20.779) 49.124 6.423 ( 0.171 3.899 -4.391) 5.875 7.034 ( 15.227 0.755 1.208) 15.294 7.202 ( -3.226 9.611 4.023) 10.907 8.235 ( -13.921 -5.327 4.836) 15.671 8.884 ( 3.316 13.888 -12.514) 18.986 9.448 ( 1.668 4.472 1.513) 5.007 9.536 ( 4.169 6.692 1.744) 8.076 9.728 ( 4.113 -4.731 4.007) 7.441 10.603 ( 1.688 -3.130 -3.753) 5.170 11.533 ( -4.529 5.475 -8.997) 11.465 12.004 ( 4.469 32.094 -33.395) 46.532 13.375 ( -0.440 -6.360 0.254) 6.380 13.513 ( -3.141 -6.365 2.553) 7.543 13.674 ( 6.336 7.755 1.902) 10.193 14.653 ( -1.734 -2.397 10.071) 10.496 14.828 ( -9.174 5.431 16.546) 19.683 17.531 ( -0.025 -2.972 -8.393) 8.904 17.582 ( 18.865 12.125 -13.465) 26.158 18.249 ( -15.688 55.323 -31.784) 65.704 20.244 ( 0.054 -1.521 -1.595) 2.205 21.610 ( -0.120 -8.936 2.873) 9.388 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 11.390 23.800 13.407) 29.596 1.598 ( 3.836 25.431 21.224) 33.346 2.446 ( 20.070 18.220 27.098) 38.328 3.173 ( 1.086 0.794 0.853) 1.593 3.656 ( -3.647 -8.575 -14.058) 16.866 4.021 ( -1.306 -6.280 -3.959) 7.538 4.868 ( -10.770 -4.771 -3.714) 12.351 5.341 ( 5.013 -2.026 -3.250) 6.308 5.736 ( -7.179 -14.649 16.694) 23.341 6.466 ( 2.026 6.161 -3.490) 7.365 7.210 ( 1.058 8.620 1.389) 8.795 7.307 ( 1.909 8.913 5.534) 10.663 8.095 ( 1.757 -11.499 2.190) 11.837 8.981 ( 7.309 -0.672 -7.962) 10.828 9.462 ( -5.392 2.051 1.372) 5.930 9.495 ( -7.546 -5.526 0.928) 9.399 9.943 ( 12.824 9.276 5.533) 16.766 10.579 ( -0.243 -0.729 -3.318) 3.406 11.338 ( -12.981 8.659 -13.644) 20.728 12.311 ( 17.570 9.067 -21.231) 29.012 13.190 ( -10.071 -10.512 0.068) 14.558 13.510 ( 3.686 -0.637 1.435) 4.006 13.719 ( -9.853 6.139 4.035) 12.291 14.702 ( 4.403 -15.581 18.212) 24.369 14.895 ( 1.786 8.114 14.284) 16.525 17.324 ( -11.509 4.963 -16.978) 21.103 17.895 ( 5.839 12.180 -1.571) 13.599 18.574 ( 23.816 29.223 -38.968) 54.219 20.207 ( -1.477 -1.892 -1.623) 2.898 21.538 ( 0.743 -10.081 1.617) 10.237 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 7.327 21.342 9.374) 24.434 1.944 ( -1.323 20.947 20.505) 29.343 2.769 ( 2.092 -2.415 0.501) 3.235 3.282 ( -0.613 -5.349 -2.982) 6.155 3.714 ( 21.087 12.126 6.967) 25.303 3.917 ( 3.200 -9.918 -6.086) 12.068 4.604 ( -13.298 -5.699 -3.982) 15.006 5.245 ( -2.606 -9.469 0.165) 9.823 5.837 ( 9.315 7.445 11.075) 16.274 6.530 ( -0.563 5.666 -2.164) 6.091 7.291 ( -3.124 10.237 1.670) 10.833 7.442 ( 2.665 6.511 6.795) 9.781 8.084 ( 7.253 -7.216 -0.455) 10.241 9.022 ( 6.318 -5.132 -7.646) 11.168 9.266 ( -10.558 -9.092 0.992) 13.969 9.374 ( -10.170 3.353 0.749) 10.734 10.274 ( 12.752 9.157 5.505) 16.636 10.525 ( -4.391 -0.783 -2.042) 4.906 11.178 ( -6.113 7.544 -14.240) 17.235 12.432 ( 4.953 0.463 -11.832) 12.835 12.945 ( -8.777 -9.068 1.066) 12.665 13.477 ( -16.503 11.108 -0.184) 19.894 13.702 ( 7.038 -7.180 7.548) 12.573 14.640 ( -3.880 -24.377 26.885) 36.498 15.177 ( 11.909 10.408 8.829) 18.114 17.092 ( -11.410 8.088 -20.025) 24.425 18.080 ( 3.351 14.999 0.664) 15.383 18.913 ( 20.322 9.547 -31.994) 39.086 20.155 ( -1.559 -1.384 -1.564) 2.607 21.465 ( 1.342 -10.005 -1.069) 10.151 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 5.491 9.184 9.142) 14.073 2.187 ( -2.883 20.683 9.207) 22.823 2.748 ( -0.025 1.188 0.048) 1.189 3.133 ( -4.740 -6.155 -5.842) 9.720 3.742 ( -2.972 -10.782 -2.323) 11.423 4.243 ( 4.864 8.000 3.122) 9.869 4.343 ( 2.311 -9.342 -5.936) 11.307 5.239 ( 8.972 -3.081 6.634) 11.576 6.195 ( 14.713 10.935 5.508) 19.141 6.480 ( -7.086 2.368 0.413) 7.482 7.343 ( -1.564 8.187 3.844) 9.179 7.618 ( 5.393 10.241 5.342) 12.748 8.166 ( 6.417 1.124 -2.462) 6.964 8.951 ( -4.239 -9.480 -3.403) 10.928 9.049 ( -5.503 -9.248 -0.071) 10.762 9.266 ( -7.191 6.740 -1.735) 10.007 10.365 ( -11.333 -0.237 -0.915) 11.373 10.564 ( 12.203 -0.038 2.616) 12.481 11.138 ( 1.636 8.615 -12.811) 15.525 12.385 ( -1.783 -2.315 -7.098) 7.676 12.773 ( -5.581 -5.098 1.865) 7.785 13.291 ( -16.973 8.497 1.234) 19.021 13.779 ( 3.145 -8.841 8.749) 12.830 14.474 ( -5.548 -24.925 26.196) 36.582 15.509 ( 11.336 9.341 7.735) 16.601 16.910 ( -7.243 8.633 -17.083) 20.465 18.286 ( 4.133 15.059 0.790) 15.635 19.047 ( 10.841 1.225 -23.195) 25.633 20.129 ( 0.420 0.253 -1.496) 1.574 21.383 ( 1.414 -9.802 -3.558) 10.523 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -4.685 12.178 0.848) 13.075 2.373 ( 5.160 2.478 9.405) 11.010 2.815 ( 1.523 7.425 0.391) 7.590 2.962 ( -6.992 -5.238 -4.196) 9.692 3.600 ( -0.528 -8.463 -1.651) 8.638 4.069 ( -14.102 3.027 0.837) 14.447 4.471 ( 11.030 -5.717 -7.524) 14.524 5.505 ( 16.756 0.045 10.086) 19.557 6.115 ( -13.215 -11.124 -4.907) 17.957 6.780 ( 17.943 17.725 7.522) 26.319 7.419 ( -2.655 8.788 2.683) 9.564 7.836 ( 4.103 11.997 4.170) 13.347 8.253 ( 3.647 4.102 -3.878) 6.720 8.741 ( -10.414 -6.520 0.852) 12.317 8.901 ( -3.333 -7.268 2.272) 8.313 9.247 ( -0.747 4.508 -4.266) 6.251 10.153 ( -11.085 -2.799 -1.064) 11.482 10.700 ( 8.015 -6.910 -1.264) 10.658 11.235 ( 6.471 9.945 -8.615) 14.663 12.291 ( -1.470 -2.732 -5.628) 6.426 12.689 ( -2.674 -1.400 1.263) 3.272 13.128 ( -12.671 6.708 0.864) 14.363 13.671 ( -10.864 -16.505 15.488) 25.107 14.361 ( 0.530 -16.290 17.149) 23.658 15.750 ( 4.625 6.527 2.985) 8.538 16.858 ( 0.315 8.164 -6.776) 10.615 18.464 ( 1.251 12.314 -1.677) 12.491 19.075 ( 6.975 0.365 -13.032) 14.786 20.159 ( 2.426 2.560 -0.821) 3.621 21.294 ( 2.015 -9.649 -5.710) 11.392 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -6.078 3.645 4.018) 8.147 2.505 ( 5.584 -0.241 3.458) 6.573 2.744 ( -12.157 -4.192 -4.056) 13.484 2.918 ( 3.134 7.897 -0.255) 8.500 3.594 ( 6.400 -2.627 0.413) 6.930 3.917 ( -11.059 5.109 2.083) 12.359 4.530 ( 8.406 -4.096 -7.156) 11.775 5.743 ( -12.795 -9.945 -5.811) 17.216 5.832 ( 14.717 0.159 7.373) 16.462 7.183 ( 10.185 5.737 6.536) 13.393 7.400 ( -10.420 7.781 -1.016) 13.044 7.917 ( -7.799 6.870 -2.935) 10.800 8.338 ( 5.056 2.940 -0.344) 5.859 8.597 ( -2.996 -0.186 6.746) 7.383 8.836 ( -3.907 1.050 1.980) 4.504 9.273 ( 3.663 2.204 -3.271) 5.382 9.996 ( -4.894 -1.329 -0.508) 5.097 10.689 ( 3.889 -11.212 -5.014) 12.883 11.390 ( 6.402 6.386 -2.679) 9.431 12.262 ( 4.731 -0.153 -6.968) 8.424 12.669 ( 0.073 -0.072 0.722) 0.730 13.031 ( -7.282 7.228 -0.663) 10.281 13.362 ( -16.667 -19.956 18.714) 32.035 14.352 ( 2.602 -10.124 9.923) 14.413 15.790 ( -4.364 3.303 -3.759) 6.640 16.984 ( 5.965 6.988 4.703) 10.321 18.500 ( -4.423 5.915 -5.086) 8.968 19.185 ( 9.256 5.156 -2.583) 10.906 20.239 ( 2.950 5.342 0.664) 6.139 21.210 ( 3.598 -9.715 -7.995) 13.087 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -5.623 -0.967 5.784) 8.124 2.439 ( -17.560 -3.918 -0.436) 17.997 2.599 ( 5.418 -2.645 -0.387) 6.042 3.085 ( 6.808 10.807 -0.211) 12.774 3.696 ( 6.744 -4.480 0.320) 8.103 3.840 ( -5.747 7.718 1.940) 9.816 4.594 ( 7.918 -2.205 -5.884) 10.108 5.422 ( -10.404 -8.190 -6.309) 14.667 6.132 ( 15.114 3.565 4.143) 16.071 7.042 ( -25.447 -7.630 -0.608) 26.573 7.350 ( -4.985 0.284 3.840) 6.299 7.783 ( -9.525 5.388 -3.885) 11.612 8.431 ( 3.765 0.107 1.486) 4.049 8.703 ( 2.596 7.953 5.840) 10.203 8.811 ( -0.585 3.777 -0.143) 3.825 9.382 ( 6.204 4.569 1.473) 7.845 9.962 ( 1.089 -0.004 -1.475) 1.833 10.586 ( 1.087 -11.538 -5.813) 12.966 11.510 ( 4.589 1.397 2.240) 5.294 12.352 ( 9.005 3.067 -9.884) 13.719 12.702 ( 4.054 -0.922 3.306) 5.312 12.993 ( -10.454 -0.290 7.397) 12.810 13.090 ( -2.874 -6.379 6.875) 9.809 14.346 ( 1.668 -9.230 6.463) 11.390 15.664 ( -9.935 1.480 -5.728) 11.563 17.174 ( 5.508 4.666 7.991) 10.769 18.417 ( -7.175 2.973 -2.835) 8.268 19.405 ( 10.760 6.693 2.127) 12.849 20.344 ( 1.343 7.261 1.969) 7.642 21.145 ( 6.134 -9.263 -10.679) 15.410 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -22.476 0.929 3.748) 22.806 2.177 ( -6.959 -9.922 7.163) 14.078 2.665 ( 5.061 0.711 -0.511) 5.136 3.305 ( 7.174 12.111 -0.839) 14.102 3.690 ( 4.347 -9.858 -0.929) 10.814 3.900 ( -0.316 7.339 -0.835) 7.393 4.673 ( 7.461 -0.735 -4.933) 8.974 5.212 ( -4.847 -3.877 -4.728) 7.803 6.404 ( 3.679 -1.677 -0.939) 4.151 6.441 ( -26.554 -5.490 1.801) 27.176 7.242 ( -6.553 -6.304 6.836) 11.376 7.658 ( -12.056 6.897 -2.778) 14.164 8.448 ( -2.774 -1.690 -0.126) 3.251 8.799 ( 4.488 7.895 -3.340) 9.676 8.945 ( 7.449 3.286 4.012) 9.076 9.527 ( 2.789 4.722 5.910) 8.063 9.965 ( 0.802 -1.790 -4.758) 5.146 10.492 ( 1.674 -5.822 -2.368) 6.504 11.596 ( 3.757 -2.176 5.747) 7.203 12.423 ( 3.181 4.508 -11.618) 12.861 12.834 ( 3.818 -0.064 0.585) 3.863 12.885 ( 4.416 -6.324 19.720) 21.175 13.183 ( 7.672 7.475 -4.307) 11.545 14.304 ( 0.991 -10.824 4.059) 11.602 15.458 ( -13.319 0.944 -4.768) 14.178 17.321 ( 3.976 2.922 5.701) 7.540 18.309 ( -8.869 1.972 1.602) 9.226 19.654 ( 11.208 5.540 3.244) 12.917 20.405 ( -2.359 4.178 0.476) 4.822 21.129 ( 8.675 -5.271 -12.104) 15.797 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -23.740 -2.156 9.890) 25.808 1.951 ( -17.889 -7.385 10.091) 21.826 2.774 ( 6.285 2.330 -1.766) 6.932 3.479 ( 1.466 7.156 -4.226) 8.439 3.701 ( 10.823 -11.917 0.815) 16.118 3.856 ( -10.491 5.841 -5.313) 13.130 4.772 ( 8.438 0.336 -3.117) 9.001 5.142 ( 1.115 -1.320 -2.516) 3.052 5.806 ( -29.089 -6.623 1.528) 29.873 6.603 ( 5.299 1.408 1.315) 5.638 7.159 ( -0.380 -8.059 9.438) 12.417 7.502 ( -14.395 9.187 -2.075) 17.202 8.316 ( -7.506 -3.505 -5.154) 9.757 8.981 ( 9.751 7.310 -3.918) 12.801 9.094 ( 7.507 1.095 1.649) 7.764 9.589 ( -0.810 -3.503 5.528) 6.595 9.903 ( -4.895 2.722 -1.240) 5.737 10.515 ( 3.945 0.196 0.165) 3.953 11.643 ( 1.878 -5.515 6.762) 8.925 12.461 ( 3.266 8.354 -11.152) 14.312 12.888 ( 6.929 0.113 2.672) 7.427 13.128 ( 10.978 0.536 9.791) 14.720 13.398 ( 12.777 5.660 2.537) 14.203 14.227 ( 1.708 -13.444 1.187) 13.604 15.217 ( -15.330 1.410 -2.955) 15.675 17.430 ( 3.971 3.019 1.862) 5.325 18.185 ( -10.322 0.046 4.747) 11.361 19.884 ( 10.286 3.790 0.687) 10.983 20.330 ( -5.143 -3.765 -6.596) 9.172 21.193 ( 8.377 2.281 -9.127) 12.597 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -22.126 -7.248 18.165) 29.531 1.627 ( -26.491 0.958 15.110) 30.512 2.744 ( -16.590 -4.338 -4.828) 17.815 3.296 ( -13.546 -3.053 -1.998) 14.029 3.793 ( 5.735 0.795 -9.356) 11.002 3.850 ( 9.268 3.609 2.658) 10.295 4.893 ( 9.430 -3.494 -3.693) 10.713 5.185 ( 6.281 0.972 -0.045) 6.356 5.477 ( -12.920 1.672 6.137) 14.401 6.615 ( -3.181 -0.976 -0.567) 3.376 7.171 ( 1.877 -8.049 10.840) 13.632 7.364 ( -12.721 9.076 -0.201) 15.628 8.139 ( -4.418 -2.984 -7.918) 9.546 9.102 ( 1.933 6.245 -6.975) 9.560 9.287 ( 13.925 0.434 1.268) 13.989 9.509 ( -1.804 -10.662 2.360) 11.068 9.880 ( -8.751 10.322 7.061) 15.263 10.582 ( 3.167 0.784 -0.169) 3.266 11.625 ( 0.379 -7.650 1.337) 7.775 12.554 ( 6.112 8.370 -10.525) 14.771 13.077 ( 12.425 3.417 -1.314) 12.953 13.308 ( 5.074 5.356 2.711) 7.860 13.676 ( 10.223 -4.021 14.037) 17.824 14.161 ( 7.316 -11.175 0.312) 13.360 14.975 ( -15.739 2.620 -0.851) 15.978 17.523 ( 4.057 3.255 -2.943) 5.976 18.036 ( -10.467 -2.774 5.738) 12.255 19.959 ( -1.738 -4.217 -25.768) 26.169 20.171 ( 0.098 -2.666 -1.093) 2.883 21.324 ( 6.572 7.437 -2.671) 10.278 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -3.535 19.950 10.034) 22.610 1.570 ( -3.596 11.022 28.812) 31.057 2.680 ( -18.917 24.141 18.485) 35.810 3.168 ( -3.962 4.778 3.908) 7.335 3.696 ( 4.254 -9.148 -11.614) 15.384 4.129 ( -1.374 -0.623 -3.346) 3.670 4.987 ( 13.417 1.503 -4.180) 14.133 5.193 ( -9.834 -5.167 -2.579) 11.404 5.804 ( 8.886 -17.629 16.816) 25.934 6.442 ( -0.916 4.172 -4.910) 6.507 6.876 ( 3.113 -1.486 1.075) 3.613 7.370 ( -3.371 10.147 4.904) 11.763 8.402 ( -3.707 -1.972 4.575) 6.210 9.012 ( -16.217 1.900 -12.627) 20.641 9.423 ( 8.761 1.199 0.769) 8.876 9.501 ( 6.281 4.462 3.557) 8.486 9.632 ( -0.584 -9.426 4.820) 10.603 10.531 ( 0.920 -2.364 -4.021) 4.754 11.414 ( 12.260 7.833 -9.642) 17.453 12.202 ( -16.242 5.337 -23.273) 28.878 13.265 ( 6.602 -6.477 -0.677) 9.273 13.449 ( 10.470 -2.335 6.105) 12.342 13.644 ( -2.018 -0.720 1.742) 2.761 14.738 ( -2.881 -6.693 15.175) 16.834 15.198 ( -9.208 15.412 16.937) 24.682 17.166 ( 17.205 4.039 -17.232) 24.683 17.664 ( -10.153 2.047 -7.302) 12.673 18.861 ( -22.720 35.956 -34.077) 54.500 20.207 ( 1.250 -1.373 -2.176) 2.861 21.546 ( -0.963 -9.662 2.356) 9.992 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 24.453 26.516 10.198) 37.484 1.839 ( 3.991 13.982 24.558) 28.540 2.714 ( -8.372 11.318 10.066) 17.307 3.224 ( -2.716 10.669 10.893) 15.487 3.543 ( -2.276 -8.787 -12.780) 15.675 4.020 ( -6.058 -3.601 -4.633) 8.434 4.978 ( -9.951 -4.344 -1.927) 11.027 5.162 ( 9.853 -3.355 -3.697) 11.046 5.760 ( -1.626 -12.667 13.494) 18.580 6.473 ( 2.091 6.252 -3.745) 7.582 7.091 ( 16.423 2.863 2.750) 16.896 7.448 ( -2.309 11.107 4.314) 12.137 8.147 ( -16.109 -7.031 0.481) 17.584 8.881 ( 0.544 0.873 -5.915) 6.004 9.520 ( -3.929 -6.449 1.834) 7.771 9.574 ( 0.179 3.693 1.546) 4.007 9.749 ( 17.056 0.888 4.205) 17.589 10.514 ( 2.453 -1.903 -4.106) 5.147 11.546 ( -4.097 8.016 -10.896) 14.134 12.046 ( 7.072 8.348 -17.135) 20.330 13.241 ( -6.176 -7.670 -1.408) 9.947 13.382 ( 2.729 -11.130 5.221) 12.593 13.850 ( 8.833 9.171 -0.141) 12.733 14.687 ( -4.957 -9.387 14.839) 18.245 15.197 ( -14.706 12.207 20.079) 27.721 17.367 ( 1.312 -2.986 -10.111) 10.624 17.677 ( 19.425 14.367 -13.161) 27.513 18.702 ( -15.134 35.113 -31.175) 49.334 20.191 ( -0.039 -1.673 -2.049) 2.646 21.435 ( -0.666 -13.482 3.033) 13.834 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 9.753 17.535 11.037) 22.900 2.222 ( 7.720 16.841 17.940) 25.789 2.725 ( 0.503 -0.886 0.784) 1.286 3.249 ( -3.223 -4.050 -7.949) 9.486 3.546 ( 9.763 8.744 5.439) 14.190 3.853 ( -5.325 -6.269 -2.423) 8.574 4.762 ( -11.994 -3.352 -1.001) 12.494 5.165 ( 0.792 -7.249 -1.579) 7.462 5.822 ( 6.608 3.941 10.271) 12.833 6.565 ( 2.548 6.215 -1.490) 6.880 7.363 ( 8.352 7.167 1.527) 11.111 7.529 ( -1.773 4.866 6.917) 8.641 7.941 ( -0.136 -2.928 -2.246) 3.693 8.874 ( 2.613 -2.562 -5.804) 6.861 9.344 ( -8.773 -9.572 1.957) 13.130 9.565 ( -7.069 5.155 0.496) 8.763 10.059 ( 18.170 -1.673 3.629) 18.604 10.516 ( 1.842 -1.965 -3.307) 4.265 11.388 ( -14.331 12.092 -13.328) 23.005 12.225 ( 13.233 0.364 -8.441) 15.700 13.002 ( -9.107 -9.782 0.353) 13.369 13.449 ( 10.333 -8.571 5.629) 14.558 13.914 ( -12.651 12.470 -2.639) 17.959 14.599 ( -1.932 -18.826 19.578) 27.229 15.278 ( -2.729 12.479 19.787) 23.552 17.217 ( -8.233 3.298 -13.779) 16.387 18.084 ( 17.840 12.471 -6.369) 22.679 18.678 ( -0.616 24.222 -30.802) 39.190 20.156 ( -1.086 -1.314 -1.638) 2.364 21.323 ( 1.218 -14.483 1.274) 14.590 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 2.667 8.954 8.471) 12.611 2.461 ( -2.871 13.386 7.444) 15.584 2.745 ( 2.190 0.152 1.675) 2.761 3.144 ( -2.988 0.920 -5.071) 5.957 3.633 ( 0.991 -11.397 -8.435) 14.213 3.930 ( 16.450 -0.608 4.718) 17.124 4.529 ( -13.141 -2.493 0.214) 13.378 5.148 ( 3.030 -0.442 4.261) 5.247 6.106 ( 12.209 9.801 5.458) 16.581 6.592 ( -3.400 1.715 0.740) 3.880 7.449 ( -2.146 5.232 3.577) 6.691 7.655 ( 6.854 8.699 3.858) 11.728 8.054 ( 9.712 5.817 -0.886) 11.356 8.830 ( 1.193 -7.056 -6.034) 9.360 9.118 ( -9.827 -8.280 1.381) 12.925 9.478 ( -9.897 6.851 -0.376) 12.043 10.307 ( 15.733 -7.673 1.866) 17.603 10.467 ( -3.993 -3.291 -2.316) 5.669 11.233 ( -9.064 13.094 -12.266) 20.102 12.305 ( 3.842 -4.539 -5.062) 7.809 12.820 ( -5.329 -5.822 2.188) 8.191 13.582 ( 10.554 -7.898 5.180) 14.164 13.719 ( -20.407 9.994 -2.058) 22.816 14.472 ( -4.882 -25.517 26.053) 36.793 15.530 ( 5.723 13.076 14.430) 20.297 17.045 ( -9.546 9.028 -15.003) 19.943 18.385 ( 6.450 16.643 -0.094) 17.850 18.748 ( 9.971 8.765 -27.964) 30.955 20.128 ( -0.450 0.299 -0.931) 1.077 21.218 ( 2.259 -14.507 -1.509) 14.759 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -0.346 -0.981 4.387) 4.509 2.543 ( -3.007 11.586 1.612) 12.077 2.836 ( 3.716 5.323 1.823) 6.743 3.050 ( -8.870 1.183 -1.163) 9.024 3.503 ( 0.933 -9.935 -4.173) 10.816 4.152 ( 13.759 -3.293 -4.636) 14.888 4.317 ( -10.987 -1.512 0.397) 11.098 5.318 ( 11.994 1.146 9.032) 15.058 6.163 ( -8.365 -10.712 -3.745) 14.098 6.738 ( 12.112 15.923 6.713) 21.102 7.530 ( 1.037 8.488 2.729) 8.976 7.898 ( 7.361 13.275 3.914) 15.676 8.244 ( 3.977 9.255 -1.356) 10.164 8.742 ( 2.035 -8.606 -2.893) 9.305 8.903 ( -8.642 -7.707 1.164) 11.637 9.388 ( -9.257 8.082 -1.849) 12.427 10.291 ( -10.315 -5.022 -1.781) 11.610 10.433 ( 11.503 -12.761 -1.662) 17.261 11.229 ( 0.622 12.201 -8.086) 14.651 12.236 ( -0.805 -7.594 -4.010) 8.626 12.737 ( -3.422 -0.943 1.803) 3.981 13.452 ( -19.454 9.250 -3.985) 21.907 13.668 ( 3.960 -13.122 7.929) 15.834 14.297 ( -4.299 -25.770 26.541) 37.243 15.804 ( 4.081 12.771 7.872) 15.548 16.944 ( -5.154 11.678 -9.591) 15.966 18.585 ( -1.266 15.342 -1.651) 15.483 18.845 ( 13.545 2.972 -17.210) 22.101 20.149 ( 1.802 2.976 0.022) 3.479 21.109 ( 2.688 -14.391 -4.332) 15.268 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.864 -5.544 2.082) 5.985 2.599 ( -5.404 10.305 2.835) 11.976 2.871 ( -7.207 -2.695 0.363) 7.703 2.949 ( -0.559 6.639 -1.784) 6.897 3.469 ( 5.457 -4.037 -1.477) 6.947 4.151 ( -10.487 2.109 1.990) 10.880 4.295 ( 10.714 -1.335 -6.842) 12.782 5.599 ( 16.473 -1.173 7.184) 18.009 5.820 ( -13.668 -14.247 -4.636) 20.280 7.111 ( 11.342 9.208 5.479) 15.602 7.621 ( -3.914 12.413 0.353) 13.020 8.104 ( -2.938 12.061 0.805) 12.440 8.306 ( 0.403 3.488 -1.713) 3.906 8.678 ( -4.513 -2.123 2.637) 5.642 8.843 ( 7.222 -1.477 4.791) 8.791 9.301 ( -7.196 6.184 -5.227) 10.833 10.078 ( -8.518 -3.435 -1.989) 9.397 10.437 ( 7.924 -15.912 -3.556) 18.129 11.343 ( 4.790 6.976 -2.424) 8.802 12.148 ( 2.140 -5.903 -4.303) 7.612 12.698 ( -2.700 1.736 -0.348) 3.229 13.238 ( -12.816 5.787 -3.622) 14.520 13.528 ( -11.135 -15.802 13.042) 23.319 14.203 ( 3.803 -21.890 17.790) 28.463 15.934 ( -5.011 12.490 -1.240) 13.515 17.009 ( 2.829 10.756 0.942) 11.162 18.595 ( -4.014 4.202 -5.267) 7.843 19.060 ( 12.063 9.757 -4.712) 16.214 20.242 ( 3.988 6.282 1.112) 7.523 20.991 ( 3.384 -14.608 -7.212) 16.639 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -0.194 -6.051 1.883) 6.340 2.590 ( -4.236 4.050 2.774) 6.484 2.684 ( -14.067 -0.887 1.918) 14.225 3.067 ( 6.414 8.918 -0.643) 11.003 3.546 ( 7.272 -3.555 -1.984) 8.334 4.040 ( -8.378 4.795 2.412) 9.950 4.403 ( 8.112 0.028 -5.946) 10.058 5.466 ( -10.967 -12.233 -4.375) 17.002 5.891 ( 17.631 -1.065 2.578) 17.850 7.231 ( -4.114 -5.110 4.408) 7.903 7.602 ( -15.337 13.831 -1.188) 20.686 7.993 ( -12.201 4.368 -0.870) 12.988 8.371 ( 4.268 0.127 0.009) 4.269 8.725 ( 4.940 2.976 7.079) 9.131 8.948 ( -6.333 9.194 0.361) 11.170 9.302 ( 7.869 4.616 -2.553) 9.473 9.957 ( -2.488 -1.570 -2.572) 3.908 10.379 ( 5.736 -14.700 -2.905) 16.045 11.445 ( 4.730 -1.650 2.343) 5.531 12.185 ( 8.626 1.955 -6.424) 10.931 12.678 ( -0.741 1.140 -0.981) 1.677 13.127 ( -4.561 2.744 -0.795) 5.382 13.244 ( -15.894 -11.183 12.977) 23.369 14.171 ( 6.015 -21.014 10.159) 24.103 15.883 ( -12.119 12.014 -5.590) 17.957 17.187 ( 4.850 7.882 4.913) 10.478 18.527 ( -4.662 0.385 0.139) 4.680 19.313 ( 10.250 9.557 -1.271) 14.072 20.388 ( 3.539 8.778 1.381) 9.564 20.878 ( 5.758 -13.934 -9.973) 18.077 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -3.572 -6.891 3.765) 8.627 2.453 ( -17.525 4.633 5.718) 19.008 2.609 ( 1.725 0.797 2.070) 2.810 3.273 ( 8.760 8.491 0.223) 12.202 3.541 ( 1.539 -10.299 -3.270) 10.915 4.026 ( -3.997 10.871 1.099) 11.635 4.488 ( 8.158 -1.991 -5.985) 10.312 5.216 ( -6.004 -7.253 -3.715) 10.122 6.170 ( 17.716 -1.365 -0.367) 17.772 6.918 ( -28.838 -5.331 0.914) 29.341 7.407 ( -15.050 -0.156 6.655) 16.457 7.900 ( -9.290 8.709 -0.611) 12.748 8.430 ( 3.107 -0.857 -0.436) 3.252 8.857 ( -7.219 4.983 -5.191) 10.192 8.885 ( 6.702 2.910 2.702) 7.790 9.512 ( 7.223 3.223 5.307) 9.525 9.934 ( 1.667 3.150 -4.168) 5.484 10.351 ( 6.095 -9.046 0.139) 10.909 11.507 ( 5.747 -6.391 4.639) 9.767 12.337 ( 7.762 9.565 -11.102) 16.583 12.720 ( 6.616 -0.606 2.857) 7.232 12.985 ( -10.091 -11.781 15.760) 22.113 13.163 ( 1.451 8.940 -3.013) 9.546 14.106 ( 5.311 -22.469 5.375) 23.706 15.732 ( -15.881 10.879 -5.077) 19.908 17.331 ( 3.044 5.445 1.881) 6.515 18.458 ( -6.188 -1.557 6.507) 9.114 19.544 ( 10.255 6.503 -0.706) 12.163 20.447 ( -2.091 -0.672 -4.725) 5.211 20.874 ( 10.909 -1.872 -7.344) 13.283 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -14.825 -9.449 9.273) 19.876 2.311 ( -16.069 9.498 9.438) 20.917 2.678 ( 5.302 -0.195 -0.006) 5.305 3.423 ( 3.181 -14.429 -3.325) 15.145 3.490 ( 8.216 8.237 -0.902) 11.669 4.062 ( -6.925 12.844 -2.414) 14.791 4.566 ( 9.822 -4.933 -5.507) 12.294 5.099 ( -0.933 -3.007 -2.476) 4.005 6.292 ( -23.321 -0.615 -1.646) 23.387 6.477 ( 1.941 -2.436 4.418) 5.406 7.235 ( -9.531 -4.146 9.989) 14.415 7.797 ( -12.770 7.841 -1.131) 15.028 8.382 ( -6.826 -1.904 -4.765) 8.540 8.852 ( 6.965 2.623 -3.999) 8.449 9.013 ( 6.406 0.744 -0.647) 6.482 9.558 ( -0.813 -8.213 4.040) 9.189 10.035 ( 0.542 13.785 1.475) 13.875 10.407 ( 7.522 -4.716 1.592) 9.020 11.555 ( 4.645 -7.525 3.761) 9.610 12.452 ( 2.543 12.360 -12.624) 17.850 12.810 ( 2.312 -1.923 -1.250) 3.256 13.004 ( 12.085 -4.753 19.641) 23.546 13.313 ( 7.177 9.967 1.195) 12.340 13.989 ( 4.711 -24.125 1.603) 24.633 15.530 ( -17.977 9.104 -2.928) 20.362 17.415 ( 2.741 4.088 -2.905) 5.715 18.358 ( -8.984 -4.506 9.815) 14.048 19.741 ( 10.080 2.577 -4.285) 11.252 20.293 ( -4.100 -8.021 -11.104) 14.299 21.060 ( 10.123 8.551 -3.058) 13.599 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -18.734 -8.131 16.633) 26.339 2.141 ( -22.731 5.394 11.633) 26.098 2.747 ( 4.495 -1.489 -2.727) 5.464 3.356 ( 3.394 -6.545 -5.786) 9.372 3.677 ( 7.065 2.395 2.183) 7.773 3.985 ( -14.535 14.633 -4.429) 21.095 4.640 ( 10.863 -8.534 -5.751) 14.964 5.098 ( 3.887 0.209 -1.037) 4.029 5.858 ( -25.926 4.771 7.174) 27.320 6.593 ( 5.386 -2.998 -0.071) 6.164 7.166 ( -1.861 -3.127 11.013) 11.598 7.627 ( -13.832 2.112 -1.231) 14.047 8.193 ( -8.963 0.626 -6.882) 11.318 9.028 ( 12.810 1.922 -3.376) 13.386 9.102 ( 5.885 0.479 -2.152) 6.284 9.449 ( -2.525 -10.608 2.228) 11.129 10.157 ( -5.696 13.949 7.593) 16.873 10.493 ( 6.841 -3.825 0.727) 7.871 11.536 ( 0.601 -7.342 -2.960) 7.940 12.506 ( 1.995 6.305 -7.193) 9.771 12.891 ( 10.142 0.339 -5.869) 11.723 13.289 ( 10.698 1.912 14.710) 18.289 13.563 ( 7.410 2.363 7.920) 11.100 13.888 ( 10.878 -15.504 2.500) 19.103 15.302 ( -18.468 6.868 -0.402) 19.708 17.457 ( 3.261 0.701 -8.707) 9.324 18.201 ( -10.912 -6.605 9.865) 16.125 19.782 ( 1.885 -4.126 -22.890) 23.335 20.143 ( -0.668 -1.419 -3.002) 3.387 21.282 ( 7.968 10.092 -1.008) 12.898 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -19.021 12.240 4.828) 23.128 1.880 ( -6.016 8.057 24.146) 26.157 2.806 ( 3.203 -3.216 -5.647) 7.245 3.450 ( 7.721 -3.151 -8.064) 11.601 3.663 ( -18.865 7.609 12.899) 24.087 4.087 ( 3.860 -1.179 -1.843) 4.437 4.802 ( 9.265 6.319 -4.246) 11.992 5.286 ( -6.408 1.336 2.635) 7.056 5.730 ( -3.695 -3.764 10.410) 11.670 6.454 ( -0.073 0.863 -4.986) 5.060 6.895 ( -6.411 -4.483 3.415) 8.536 7.536 ( -2.420 10.235 4.110) 11.292 8.407 ( 4.878 4.657 1.448) 6.898 9.148 ( -4.677 -1.199 -9.560) 10.710 9.223 ( 10.055 -7.291 -0.674) 12.439 9.450 ( 8.626 7.254 0.577) 11.285 9.713 ( -18.321 -12.127 5.936) 22.759 10.475 ( 0.715 -3.810 -2.977) 4.888 11.270 ( 7.350 7.008 -8.609) 13.314 12.296 ( -8.651 -3.264 -14.075) 16.841 13.055 ( 11.845 -4.436 -0.830) 12.676 13.279 ( 12.442 -1.859 8.857) 15.385 13.718 ( -8.324 -4.835 0.364) 9.633 14.742 ( 4.758 -13.011 20.145) 24.449 15.558 ( -2.123 21.960 19.740) 29.604 16.898 ( 7.252 3.361 -20.443) 21.951 17.833 ( -13.367 1.887 -6.427) 14.951 19.191 ( -9.568 18.942 -27.265) 34.550 20.169 ( 0.793 0.887 -3.810) 3.991 21.486 ( -1.010 -9.017 0.586) 9.092 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 9.661 27.092 8.151) 29.896 2.042 ( -0.115 8.661 22.485) 24.096 2.774 ( 0.875 -3.775 -5.554) 6.772 3.369 ( -1.337 -10.161 -10.507) 14.677 3.613 ( -8.694 8.389 13.952) 18.455 4.052 ( -3.878 -2.181 -5.504) 7.077 4.931 ( 6.038 -6.469 -1.994) 9.071 5.193 ( -10.764 12.387 3.241) 16.728 5.730 ( 1.495 -5.821 9.047) 10.861 6.457 ( 2.524 1.962 -4.205) 5.282 6.929 ( 8.025 2.672 6.048) 10.398 7.611 ( -2.612 10.922 2.565) 11.519 8.353 ( -13.990 -3.972 -1.643) 14.635 8.916 ( -8.706 -0.441 -6.015) 10.591 9.393 ( 16.259 -4.687 -1.460) 16.984 9.514 ( -1.582 -7.839 4.038) 8.959 9.663 ( 5.784 7.139 4.311) 10.149 10.441 ( 1.655 -3.264 -2.939) 4.693 11.452 ( 11.776 6.841 -8.254) 15.925 12.069 ( -8.683 2.606 -11.827) 14.902 13.156 ( 7.567 -4.937 -0.025) 9.035 13.357 ( -7.591 -11.928 2.643) 14.383 13.703 ( 14.120 3.532 2.894) 14.840 14.761 ( -2.436 -11.358 18.966) 22.241 15.710 ( -15.493 18.264 18.687) 30.377 17.080 ( 19.289 4.921 -14.396) 24.567 17.648 ( -5.988 6.934 -9.929) 13.510 19.049 ( -12.874 22.434 -27.369) 37.657 20.165 ( 0.367 0.541 -3.541) 3.601 21.353 ( -2.662 -13.870 2.506) 14.344 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 17.393 22.757 7.047) 29.497 2.286 ( 7.233 7.614 20.022) 22.609 2.709 ( -0.970 -3.559 -4.262) 5.637 3.185 ( -2.673 -6.988 -11.275) 13.531 3.624 ( -3.526 0.886 6.133) 7.129 3.894 ( -7.061 -4.123 -3.355) 8.838 4.828 ( -3.860 -12.429 -1.780) 13.135 5.222 ( -7.268 13.659 5.775) 16.515 5.816 ( 5.258 5.457 7.261) 10.495 6.527 ( 5.802 1.043 -1.789) 6.161 7.200 ( 15.698 4.356 5.398) 17.162 7.672 ( -4.282 7.079 4.262) 9.306 8.034 ( -13.704 -0.519 -5.289) 14.698 8.825 ( -1.531 -0.899 -3.438) 3.870 9.380 ( -4.770 -10.484 3.224) 11.961 9.592 ( 9.060 -1.739 -3.909) 10.019 9.844 ( 7.685 3.673 5.671) 10.233 10.437 ( 2.840 -2.554 -2.639) 4.643 11.567 ( -1.942 8.088 -12.530) 15.040 12.010 ( 6.078 1.378 -3.917) 7.361 13.064 ( -9.971 -9.375 -1.061) 13.727 13.260 ( 7.663 -8.064 4.725) 12.086 13.992 ( 11.259 6.040 0.330) 12.781 14.654 ( -9.425 -12.338 15.466) 21.915 15.700 ( -16.690 16.205 21.077) 31.391 17.227 ( 2.668 -0.588 -7.052) 7.562 17.787 ( 19.063 13.720 -14.958) 27.846 18.894 ( -12.716 21.357 -25.315) 35.478 20.150 ( -0.466 0.530 -2.864) 2.950 21.198 ( -1.433 -15.636 3.049) 15.994 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 3.489 9.859 5.316) 11.732 2.581 ( 1.747 3.451 8.315) 9.171 2.680 ( 6.928 -0.588 1.222) 7.060 3.110 ( 5.356 2.258 -7.394) 9.406 3.523 ( -5.635 -5.983 -8.497) 11.821 3.817 ( 2.138 -3.620 6.450) 7.699 4.617 ( -6.446 -11.557 -2.315) 13.434 5.250 ( -6.608 9.449 8.146) 14.117 6.063 ( 8.458 12.835 3.759) 15.824 6.597 ( 3.792 -2.310 0.655) 4.488 7.516 ( 11.140 7.552 2.400) 13.671 7.605 ( -3.391 -1.090 4.635) 5.845 8.010 ( 4.508 11.523 -2.899) 12.708 8.764 ( -2.083 -3.341 -3.238) 5.097 9.194 ( -8.268 -8.984 1.279) 12.276 9.624 ( -1.074 1.430 -3.411) 3.851 10.023 ( 10.755 -4.589 4.060) 12.378 10.435 ( 1.280 -3.706 -2.089) 4.443 11.452 ( -10.940 11.209 -13.608) 20.749 12.133 ( 8.792 -5.404 -0.350) 10.326 12.862 ( -5.569 -5.840 1.120) 8.147 13.352 ( 9.492 -8.722 5.691) 14.091 14.087 ( -9.872 11.468 -6.160) 16.338 14.455 ( -6.150 -19.634 17.722) 27.155 15.768 ( -7.168 13.453 23.160) 27.726 17.176 ( -5.508 6.209 -7.437) 11.144 18.172 ( 24.220 9.525 -16.023) 30.563 18.773 ( -8.650 17.063 -18.708) 26.758 20.136 ( -0.501 1.579 -1.816) 2.458 21.058 ( 0.106 -15.662 1.883) 15.775 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -3.781 -1.300 1.941) 4.445 2.627 ( 1.900 5.568 0.339) 5.893 2.818 ( 4.939 3.040 2.930) 6.498 3.208 ( -3.367 3.834 0.222) 5.107 3.326 ( 1.853 -9.938 -10.082) 14.278 3.931 ( 9.318 0.072 2.968) 9.780 4.416 ( -5.411 -7.414 -1.193) 9.256 5.305 ( -0.600 5.676 8.837) 10.520 6.154 ( -4.525 -7.806 -3.394) 9.641 6.740 ( 9.555 13.139 4.950) 16.983 7.575 ( 1.846 4.910 1.032) 5.346 7.859 ( 13.331 9.454 3.673) 16.750 8.237 ( 9.568 12.495 -0.371) 15.742 8.654 ( -3.901 -6.213 -1.857) 7.567 8.984 ( -8.900 -7.197 -0.527) 11.458 9.575 ( -5.630 4.172 -2.822) 7.555 10.127 ( 9.358 -11.426 1.862) 14.886 10.356 ( -4.666 -5.954 -2.254) 7.893 11.346 ( -6.473 12.613 -10.496) 17.639 12.135 ( 1.427 -9.813 -1.087) 9.976 12.787 ( -2.183 -1.034 2.348) 3.369 13.452 ( 10.062 -11.424 5.403) 16.154 13.844 ( -22.846 7.717 -7.833) 25.354 14.311 ( -4.821 -19.355 19.774) 28.087 15.957 ( -0.281 11.978 19.583) 22.958 17.107 ( -7.260 11.809 -8.044) 16.027 18.497 ( 19.771 2.497 -21.536) 29.341 18.751 ( -2.658 16.002 -3.486) 16.592 20.156 ( 1.094 3.825 -0.524) 4.013 20.929 ( 0.601 -15.184 -0.161) 15.196 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -2.926 -4.018 1.444) 5.176 2.737 ( 1.529 8.681 1.860) 9.009 2.890 ( 0.492 -1.825 -1.418) 2.363 3.067 ( -8.004 1.662 -0.948) 8.229 3.319 ( 6.199 -5.279 -3.554) 8.884 4.058 ( 6.743 -3.468 -4.375) 8.754 4.343 ( -2.097 4.910 3.082) 6.164 5.435 ( 7.021 0.898 7.113) 10.034 5.865 ( -11.819 -14.806 -4.223) 19.410 7.063 ( 9.537 11.333 3.326) 15.181 7.711 ( 5.828 9.093 0.623) 10.819 8.152 ( 8.815 9.595 1.374) 13.101 8.429 ( -6.644 9.042 0.157) 11.222 8.619 ( 12.805 -0.267 -0.197) 12.810 8.783 ( -6.598 -7.166 1.623) 9.875 9.486 ( -9.024 4.762 -3.624) 10.828 10.123 ( 1.388 -13.167 0.122) 13.240 10.189 ( -2.537 -6.997 -3.086) 8.057 11.352 ( -0.331 7.578 -5.127) 9.155 12.045 ( 0.581 -7.655 -1.342) 7.793 12.767 ( -2.755 2.121 0.733) 3.553 13.481 ( -2.444 -10.662 2.753) 11.280 13.513 ( -12.168 -0.572 -4.085) 12.848 14.148 ( -7.138 -17.031 17.365) 25.349 16.138 ( -3.237 12.021 10.376) 16.206 17.106 ( -2.174 12.652 -3.394) 13.278 18.559 ( 5.501 -3.442 -13.844) 15.289 18.976 ( 9.351 15.784 -0.518) 18.353 20.244 ( 3.900 6.988 0.632) 8.028 20.791 ( 0.306 -14.965 -2.590) 15.191 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -0.991 -4.310 1.116) 4.561 2.736 ( -7.058 0.284 0.854) 7.115 2.856 ( -4.483 0.668 2.720) 5.286 3.056 ( 2.234 6.774 -0.119) 7.134 3.370 ( 7.662 -4.652 -4.249) 9.919 4.075 ( 4.155 -2.820 -2.973) 5.836 4.408 ( -2.750 9.734 1.719) 10.260 5.492 ( -8.005 -12.588 -1.210) 14.967 5.650 ( 9.442 -1.506 0.689) 9.586 7.225 ( 2.552 -0.660 2.191) 3.428 7.889 ( -0.302 15.601 -0.618) 15.616 8.238 ( -13.018 2.370 -0.737) 13.252 8.309 ( -0.190 -1.808 0.328) 1.847 8.694 ( 2.516 -2.367 3.664) 5.036 8.996 ( 17.997 11.847 4.804) 22.075 9.325 ( -11.618 2.983 -6.403) 13.597 9.968 ( -4.356 -5.405 -3.905) 7.965 10.145 ( 5.718 -11.330 0.386) 12.697 11.369 ( 1.799 -3.902 -0.171) 4.300 12.060 ( 6.211 2.389 -2.150) 6.993 12.735 ( -4.218 3.220 -1.421) 5.494 13.243 ( -10.096 -3.050 0.846) 10.581 13.394 ( -6.089 -8.259 1.857) 10.428 13.993 ( -2.248 -17.641 11.152) 20.991 16.168 ( -10.676 12.635 0.848) 16.563 17.218 ( 3.060 8.847 1.098) 9.425 18.533 ( 2.331 -4.890 -1.447) 5.607 19.246 ( 8.912 11.708 -2.479) 14.921 20.412 ( 5.459 10.691 0.805) 12.031 20.638 ( 1.160 -14.741 -4.917) 15.583 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 0.171 -3.305 0.877) 3.423 2.656 ( -3.833 -0.218 3.186) 4.989 2.754 ( -11.215 2.723 5.575) 12.817 3.191 ( 6.790 1.682 0.148) 6.997 3.394 ( 4.754 -5.401 -5.667) 9.159 4.138 ( 3.814 4.305 0.006) 5.751 4.418 ( -3.983 4.727 -1.774) 6.431 5.252 ( -8.204 -5.517 -0.913) 9.929 5.858 ( 16.975 -2.622 -1.563) 17.247 7.163 ( -8.438 -5.174 1.868) 10.073 7.804 ( -24.672 6.690 1.465) 25.604 8.085 ( -4.728 4.098 3.440) 7.140 8.350 ( 4.526 -0.937 -1.357) 4.817 8.758 ( 7.765 -5.818 0.360) 9.709 9.066 ( -15.279 4.096 -5.922) 16.891 9.439 ( 12.571 8.747 6.836) 16.771 9.893 ( 3.168 1.644 -6.026) 7.004 10.163 ( 7.188 -8.357 1.939) 11.192 11.366 ( 5.148 -8.236 2.681) 10.076 12.236 ( 9.827 9.468 -4.916) 14.505 12.690 ( -1.781 1.038 -0.103) 2.065 13.107 ( -7.639 -9.383 10.067) 15.739 13.253 ( -4.512 5.457 -2.955) 7.673 13.863 ( 1.510 -20.315 5.026) 20.981 16.065 ( -15.133 11.546 -2.353) 19.179 17.329 ( 2.983 3.999 -1.673) 5.262 18.528 ( -0.303 -5.404 8.808) 10.338 19.441 ( 8.065 6.345 -4.742) 11.305 20.408 ( -3.704 -8.973 -6.580) 11.727 20.708 ( 11.167 9.177 -0.193) 14.456 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -4.851 -3.180 4.186) 7.153 2.633 ( -0.520 -2.311 2.672) 3.571 2.658 ( -10.703 7.339 7.405) 14.942 3.211 ( 3.638 -14.334 -0.744) 14.807 3.440 ( 5.890 5.260 -4.414) 9.047 4.250 ( 1.277 8.934 0.461) 9.036 4.379 ( 0.440 -0.910 -5.362) 5.456 5.126 ( -5.422 0.758 1.198) 5.605 6.105 ( 18.291 -2.856 -3.053) 18.763 6.878 ( -24.628 -1.018 2.480) 24.773 7.489 ( -18.720 -0.960 8.794) 20.705 8.029 ( -10.060 3.431 0.670) 10.650 8.393 ( 1.840 -0.763 -2.433) 3.145 8.842 ( 10.463 -5.939 -3.924) 12.655 8.849 ( -7.949 0.374 -3.787) 8.813 9.543 ( -2.338 -5.003 3.821) 6.715 10.099 ( 10.109 16.053 -1.206) 19.009 10.234 ( 8.100 -6.208 2.859) 10.598 11.417 ( 6.638 -5.900 2.763) 9.302 12.424 ( 6.328 11.905 -12.799) 18.590 12.757 ( 5.869 0.944 3.136) 6.721 12.942 ( -3.713 -11.016 13.757) 18.011 13.352 ( 4.134 13.348 2.888) 14.269 13.714 ( 2.304 -22.473 0.838) 22.606 15.884 ( -17.532 8.574 -1.822) 19.601 17.365 ( 2.564 -0.221 -6.876) 7.342 18.494 ( -5.701 -6.411 13.416) 15.924 19.566 ( 8.302 0.418 -9.850) 12.889 20.228 ( -3.657 -6.734 -6.199) 9.856 20.985 ( 10.437 12.339 -0.770) 16.179 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -13.057 -2.937 11.915) 17.919 2.516 ( -13.391 -3.458 1.425) 13.903 2.671 ( 0.479 2.636 4.734) 5.440 3.161 ( 6.820 -8.231 -2.834) 11.059 3.582 ( 8.459 4.001 -2.266) 9.628 4.308 ( -4.650 6.346 0.697) 7.898 4.378 ( 4.912 -0.014 -7.268) 8.772 5.097 ( -2.436 4.046 2.678) 5.429 6.300 ( 2.999 1.523 -3.777) 5.057 6.490 ( -18.460 -0.488 7.083) 19.778 7.307 ( -9.883 -1.157 10.063) 14.152 7.834 ( -13.994 -2.962 -0.935) 14.335 8.323 ( -7.779 1.920 -4.294) 9.091 8.828 ( 7.717 -1.660 -1.383) 8.013 8.952 ( 10.749 -3.464 -3.451) 11.809 9.434 ( -4.448 -6.756 -0.097) 8.089 10.309 ( 9.466 -7.894 1.253) 12.389 10.373 ( 1.151 16.290 4.885) 17.045 11.454 ( 1.636 -2.997 -2.887) 4.471 12.503 ( 1.093 6.845 -12.462) 14.260 12.744 ( 1.659 -2.920 -1.945) 3.881 13.137 ( 16.030 -6.824 20.605) 26.983 13.541 ( 1.880 -15.593 -0.172) 15.707 13.653 ( 11.573 14.518 7.916) 20.183 15.652 ( -18.466 4.739 0.145) 19.065 17.329 ( 2.501 -5.294 -12.157) 13.494 18.378 ( -10.363 -5.695 12.252) 17.028 19.573 ( 4.536 -3.831 -19.157) 20.056 20.138 ( -1.053 0.405 -1.456) 1.843 21.239 ( 8.622 10.602 -1.374) 13.734 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -17.027 7.302 2.205) 18.657 2.185 ( -8.384 7.988 17.497) 20.982 2.693 ( 2.176 -3.340 -3.950) 5.612 3.241 ( 7.594 -3.225 -9.022) 12.226 3.828 ( -1.251 -11.394 2.002) 11.636 3.972 ( 7.577 -1.492 -0.368) 7.732 4.748 ( 3.929 5.509 -4.260) 7.996 5.474 ( -3.856 8.716 9.910) 13.749 6.035 ( -25.095 10.787 7.481) 28.321 6.365 ( 5.644 -5.709 -5.332) 9.637 7.016 ( -9.670 -3.158 5.005) 11.337 7.684 ( -2.292 9.898 2.899) 10.565 8.384 ( 5.297 8.901 -1.416) 10.455 9.005 ( 7.113 -9.141 -1.646) 11.699 9.031 ( 9.540 -3.794 -2.216) 10.503 9.404 ( 6.322 9.722 -1.781) 11.732 9.965 ( -20.406 -11.443 1.335) 23.433 10.407 ( -2.661 -8.138 -2.446) 8.904 11.215 ( 2.201 6.566 -7.029) 9.867 12.288 ( -2.904 -4.380 -7.461) 9.126 12.843 ( 9.808 -1.844 0.333) 9.985 13.123 ( 10.711 -2.974 8.610) 14.061 13.799 ( -7.208 -6.013 0.615) 9.407 14.562 ( 14.063 -16.934 19.505) 29.410 15.894 ( 1.090 23.572 20.434) 31.216 16.771 ( 0.061 4.382 -16.632) 17.200 18.036 ( -14.393 1.603 -6.972) 16.072 19.253 ( -0.528 8.517 -18.554) 20.422 20.157 ( -0.160 3.036 -5.671) 6.434 21.418 ( -0.579 -8.062 -1.127) 8.162 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -3.236 21.241 5.389) 22.152 2.257 ( -3.730 7.274 16.839) 18.718 2.678 ( 2.213 -2.895 -4.323) 5.654 3.218 ( 2.035 -6.910 -9.414) 11.854 3.722 ( -1.053 -10.978 4.198) 11.800 4.025 ( 1.472 -1.404 -4.719) 5.139 4.797 ( 3.044 -4.283 -3.050) 6.075 5.533 ( -3.993 4.825 10.114) 11.896 5.864 ( -16.625 18.608 6.580) 25.806 6.364 ( 4.535 -4.948 -4.761) 8.229 6.956 ( -1.828 3.145 8.645) 9.380 7.752 ( -1.911 9.968 0.639) 10.170 8.479 ( -3.987 4.072 -2.735) 6.321 9.012 ( -4.705 -5.046 -2.403) 7.306 9.099 ( 12.196 -2.095 -6.152) 13.820 9.502 ( -5.024 -6.519 0.683) 8.259 9.669 ( 1.750 2.914 7.016) 7.796 10.346 ( 3.234 -6.771 -2.264) 7.838 11.314 ( 7.287 5.967 -5.849) 11.086 12.151 ( -6.065 -0.167 -6.591) 8.959 12.973 ( 9.460 -3.046 -0.343) 9.944 13.331 ( 5.688 -5.713 7.216) 10.819 13.589 ( -1.549 -5.340 -1.095) 5.666 14.724 ( 7.834 -14.448 22.028) 27.484 16.179 ( -7.306 20.403 17.208) 27.672 16.819 ( 9.984 9.004 -12.835) 18.587 17.789 ( -11.934 3.346 -9.922) 15.876 19.199 ( -4.370 11.456 -20.478) 23.868 20.155 ( 0.048 3.496 -5.851) 6.816 21.285 ( -3.058 -13.236 0.807) 13.609 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 11.253 22.935 6.293) 26.310 2.381 ( 1.021 5.053 14.858) 15.727 2.656 ( 0.538 -2.181 -3.546) 4.198 3.102 ( -1.700 -5.829 -8.151) 10.164 3.626 ( -0.495 -11.160 0.478) 11.181 3.941 ( -5.073 -2.834 -4.557) 7.384 4.721 ( -0.729 -11.593 -3.181) 12.043 5.544 ( -6.425 3.268 10.219) 12.505 5.941 ( -5.333 26.484 6.536) 27.795 6.381 ( 6.857 -6.533 -2.869) 9.896 7.104 ( 7.515 6.496 9.283) 13.595 7.814 ( -2.151 9.053 0.897) 9.349 8.253 ( -18.210 -1.311 -6.849) 19.499 8.860 ( -5.333 -0.971 -1.933) 5.755 9.260 ( 11.442 -7.227 -0.574) 13.545 9.409 ( 1.904 -6.360 -0.409) 6.651 9.843 ( 5.426 6.262 5.298) 9.835 10.341 ( 4.052 -5.005 -1.736) 6.670 11.472 ( 9.557 4.801 -7.120) 12.848 12.035 ( -5.555 2.523 -3.666) 7.118 13.086 ( 7.621 -3.170 0.862) 8.299 13.138 ( -9.723 -11.695 -0.727) 15.226 13.799 ( 16.811 1.804 4.855) 17.591 14.756 ( -3.479 -12.288 18.665) 22.616 16.226 ( -15.158 16.679 9.634) 24.511 17.061 ( 12.896 6.100 -0.855) 14.292 17.669 ( 0.034 8.173 -13.062) 15.408 19.090 ( -8.243 12.571 -21.276) 26.051 20.154 ( -0.423 3.651 -5.021) 6.222 21.110 ( -3.042 -15.453 2.838) 16.003 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 6.928 10.978 2.553) 13.230 2.562 ( 8.295 1.940 6.706) 10.841 2.622 ( -0.614 0.419 2.913) 3.006 3.017 ( 1.293 -0.376 -6.202) 6.346 3.494 ( -2.560 -9.529 -5.698) 11.394 3.831 ( -2.922 -1.448 2.406) 4.053 4.550 ( -3.327 -12.700 -4.168) 13.774 5.514 ( -7.852 3.645 9.531) 12.875 6.177 ( -2.223 22.894 2.658) 23.154 6.434 ( 10.864 -6.859 1.282) 12.912 7.385 ( 13.047 7.232 7.793) 16.830 7.767 ( -12.183 0.211 0.364) 12.190 8.056 ( -1.011 9.121 -5.712) 10.810 8.783 ( -3.508 -0.789 -0.555) 3.638 9.214 ( -3.967 -10.375 1.095) 11.162 9.466 ( 10.112 -4.717 -5.474) 12.429 9.981 ( 2.006 3.708 5.802) 7.172 10.350 ( 3.402 -4.676 -1.512) 5.977 11.557 ( 0.173 6.340 -12.275) 13.817 12.005 ( 1.609 -1.657 2.603) 3.480 12.907 ( -6.759 -5.921 -0.793) 9.021 13.185 ( 7.317 -5.343 3.290) 9.639 14.080 ( 12.448 2.219 1.830) 12.776 14.588 ( -14.341 -11.207 11.197) 21.369 16.192 ( -12.922 12.784 14.874) 23.487 17.247 ( 1.606 6.179 4.561) 7.846 17.799 ( 16.739 7.794 -19.605) 26.931 18.954 ( -8.320 12.434 -17.410) 22.955 20.156 ( -0.630 4.274 -3.713) 5.696 20.949 ( -1.784 -15.228 3.966) 15.837 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -3.121 -1.152 -0.522) 3.367 2.623 ( 3.631 4.242 -0.591) 5.615 2.775 ( 5.262 1.036 5.486) 7.672 3.067 ( 7.801 -2.151 -5.837) 9.977 3.322 ( -5.297 -5.395 -5.126) 9.135 3.882 ( 3.515 3.343 6.503) 8.113 4.370 ( -1.964 -9.621 -3.471) 10.415 5.483 ( -6.694 4.661 8.229) 11.587 6.148 ( -6.360 -8.186 -3.970) 11.101 6.717 ( 12.568 16.145 5.347) 21.147 7.605 ( -4.386 -0.703 -1.587) 4.717 7.721 ( 15.554 7.681 5.689) 18.256 8.193 ( 7.040 10.052 -2.777) 12.582 8.710 ( -5.410 -0.263 1.165) 5.540 9.034 ( -6.811 -8.294 -1.633) 10.856 9.524 ( 6.633 -5.371 -5.165) 9.976 10.038 ( -0.813 -0.017 5.538) 5.598 10.324 ( -0.119 -6.419 -1.350) 6.560 11.495 ( -6.056 9.454 -12.891) 17.094 12.023 ( 2.061 -7.365 3.182) 8.283 12.813 ( -1.539 -1.323 1.040) 2.280 13.258 ( 6.684 -7.319 3.751) 10.597 14.191 ( -12.966 8.841 -9.364) 18.275 14.281 ( -4.743 -17.546 13.085) 22.395 16.246 ( -6.504 9.580 22.547) 25.347 17.292 ( -6.489 10.635 -0.449) 12.467 18.041 ( 21.919 0.434 -23.108) 31.853 18.903 ( -2.978 12.915 -7.044) 15.009 20.180 ( 0.353 5.794 -2.254) 6.227 20.815 ( -1.354 -13.871 4.052) 14.514 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -4.718 -1.281 0.537) 4.918 2.742 ( 5.587 4.054 0.844) 6.954 2.835 ( 1.703 -3.398 -1.620) 4.131 3.091 ( 4.342 -2.588 -8.173) 9.610 3.220 ( -2.136 -1.837 2.137) 3.536 3.963 ( 1.373 -1.563 0.229) 2.093 4.355 ( 5.332 1.949 2.414) 6.169 5.487 ( -3.595 4.924 6.639) 9.014 5.879 ( -9.821 -13.975 -4.380) 17.633 7.056 ( 7.453 13.307 1.918) 15.372 7.624 ( 8.723 -0.528 -0.405) 8.748 8.059 ( 13.602 7.300 1.893) 15.553 8.401 ( 12.622 4.656 -0.784) 13.476 8.636 ( -7.196 5.215 3.053) 9.396 8.838 ( -7.716 -6.274 -3.102) 10.417 9.523 ( 2.341 -4.741 -4.155) 6.725 10.027 ( -2.243 -3.365 5.537) 6.857 10.204 ( -5.092 -7.184 -2.777) 9.233 11.423 ( -4.784 6.435 -9.498) 12.430 11.984 ( 0.006 -4.826 2.207) 5.307 12.812 ( -0.204 1.216 1.128) 1.671 13.300 ( 5.940 -9.830 2.655) 11.789 13.805 ( -22.553 -3.989 -4.166) 23.279 14.220 ( -5.078 -5.529 4.014) 8.512 16.382 ( -4.100 8.166 22.068) 23.885 17.262 ( -6.548 11.800 -6.149) 14.830 18.212 ( 18.184 -6.562 -18.698) 26.895 19.022 ( 3.828 13.674 0.523) 14.209 20.258 ( 2.820 8.058 -0.969) 8.592 20.688 ( -2.426 -12.239 3.440) 12.943 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -4.753 -1.037 1.581) 5.115 2.760 ( -0.209 -6.651 -3.280) 7.419 2.861 ( 3.868 0.674 -0.675) 3.983 3.120 ( 0.822 4.808 -0.742) 4.934 3.208 ( 2.647 -3.440 -0.303) 4.352 3.973 ( 3.603 -0.857 -0.706) 3.771 4.498 ( 3.578 5.797 2.061) 7.117 5.510 ( -3.804 -0.104 3.591) 5.232 5.600 ( -5.725 -6.507 -2.486) 9.017 7.188 ( 2.104 1.060 -1.069) 2.587 7.840 ( 15.229 1.073 0.904) 15.294 8.220 ( 3.784 -0.777 -2.052) 4.374 8.535 ( -13.213 2.446 1.380) 13.508 8.677 ( -1.894 -2.339 0.200) 3.017 8.787 ( 20.986 13.074 1.784) 24.789 9.455 ( -4.094 -3.510 -2.710) 6.036 9.954 ( -5.214 -6.641 2.235) 8.734 10.056 ( -2.372 -4.188 -1.747) 5.120 11.334 ( -3.286 -2.717 -4.442) 6.157 12.012 ( 3.305 3.974 1.275) 5.324 12.821 ( -2.226 3.427 -0.122) 4.088 13.281 ( 1.766 -11.469 0.696) 11.625 13.436 ( -14.544 -3.946 -2.414) 15.262 14.054 ( -10.690 -5.702 2.094) 12.295 16.457 ( -8.999 8.598 11.713) 17.091 17.261 ( -0.539 7.089 -5.361) 8.904 18.318 ( 13.764 -8.595 -6.188) 17.366 19.224 ( 5.763 10.602 -0.270) 12.070 20.414 ( 6.564 10.324 -0.020) 12.234 20.547 ( -4.615 -9.760 2.245) 11.027 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -2.479 -0.566 0.652) 2.625 2.700 ( -0.747 -3.192 0.891) 3.398 2.858 ( 0.147 -5.705 -0.863) 5.772 3.159 ( -2.294 1.245 3.230) 4.153 3.251 ( 6.328 0.804 -3.462) 7.258 4.058 ( 6.040 1.363 -0.093) 6.193 4.546 ( -3.519 2.980 -0.278) 4.619 5.376 ( -8.020 2.076 1.246) 8.378 5.624 ( 7.178 -0.643 -0.749) 7.246 7.179 ( 0.017 -4.290 -0.494) 4.318 8.068 ( 11.952 -2.870 1.494) 12.382 8.183 ( -8.899 -5.211 -2.243) 10.554 8.316 ( -9.096 4.184 2.145) 10.239 8.623 ( -1.628 -4.504 -2.156) 5.252 9.259 ( -3.584 -0.299 -1.359) 3.845 9.362 ( 14.060 15.826 6.038) 22.014 9.809 ( -1.561 -6.175 -5.494) 8.412 10.031 ( 2.497 -4.129 2.185) 5.297 11.259 ( 0.959 -4.639 -0.107) 4.739 12.159 ( 7.364 7.206 -0.158) 10.305 12.777 ( -6.487 2.567 -1.406) 7.117 13.147 ( -3.525 -10.004 1.220) 10.677 13.311 ( -0.947 1.773 -0.007) 2.010 13.823 ( -10.715 -8.134 0.120) 13.453 16.388 ( -13.845 8.288 2.277) 16.296 17.284 ( 2.361 -0.489 -5.316) 5.837 18.438 ( 10.006 -7.332 6.314) 13.919 19.364 ( 4.274 4.771 -4.356) 7.747 20.383 ( -5.900 -8.548 1.863) 10.553 20.659 ( 9.139 14.271 -0.714) 16.962 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.195 1.474 0.732) 1.657 2.654 ( -3.038 -5.586 2.818) 6.955 2.805 ( 0.140 -3.807 1.906) 4.259 3.107 ( -3.525 -4.176 1.189) 5.593 3.356 ( 5.740 3.515 -2.237) 7.093 4.145 ( 5.611 -4.596 -0.701) 7.286 4.491 ( -4.906 6.418 -2.797) 8.549 5.319 ( -9.532 9.971 5.330) 14.788 5.782 ( 15.429 -2.062 -3.627) 15.983 7.107 ( -5.927 -2.431 1.295) 6.536 7.850 ( -20.535 -6.176 3.650) 21.752 8.150 ( -1.353 -2.534 1.984) 3.491 8.353 ( 1.945 3.531 -0.017) 4.032 8.557 ( 7.276 -9.625 -4.154) 12.761 9.023 ( -14.089 -2.489 -2.536) 14.530 9.574 ( -4.565 -4.628 2.446) 6.945 9.995 ( 16.208 11.874 -1.947) 20.186 10.083 ( 10.075 0.904 2.212) 10.354 11.294 ( 5.611 -1.457 2.448) 6.292 12.342 ( 7.936 7.055 -5.250) 11.846 12.716 ( 0.240 -0.709 3.860) 3.932 12.992 ( -5.749 -9.396 -0.278) 11.018 13.429 ( 4.665 13.452 3.980) 14.783 13.579 ( -7.258 -12.525 -0.416) 14.482 16.211 ( -16.240 5.043 -1.098) 17.041 17.254 ( 2.270 -5.944 -7.861) 10.113 18.540 ( 2.921 -6.383 12.531) 14.363 19.405 ( 3.688 -0.560 -9.436) 10.147 20.240 ( -5.531 -3.652 1.751) 6.855 20.939 ( 9.841 13.960 -1.664) 17.161 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -3.516 3.806 4.514) 6.872 2.518 ( -4.372 -12.799 1.305) 13.588 2.819 ( -1.627 2.679 3.579) 4.757 3.015 ( -0.491 -5.589 -0.723) 5.657 3.473 ( 6.735 3.386 -1.828) 7.756 4.135 ( 4.270 -11.450 -1.478) 12.310 4.512 ( -1.434 11.702 -4.475) 12.610 5.306 ( -9.581 12.262 8.229) 17.602 6.006 ( 17.818 -3.093 -4.983) 18.759 6.938 ( -18.440 3.601 3.804) 19.169 7.534 ( -14.721 -4.816 6.130) 16.658 8.006 ( -11.700 -5.853 1.868) 13.215 8.378 ( -0.612 1.584 -2.237) 2.808 8.657 ( 13.994 -8.727 -2.813) 16.730 8.813 ( -5.747 -0.603 -0.962) 5.858 9.443 ( -4.351 -5.895 -2.214) 7.654 10.101 ( 7.440 -6.922 0.733) 10.188 10.460 ( 10.115 17.420 2.046) 20.247 11.392 ( 4.032 0.954 0.420) 4.165 12.443 ( 3.421 6.516 -12.710) 14.687 12.762 ( -5.343 -2.476 -2.661) 6.462 12.928 ( 14.224 -8.552 18.108) 24.563 13.344 ( -2.248 -15.533 -2.846) 15.951 13.744 ( 8.158 20.123 9.498) 23.700 15.961 ( -17.073 0.273 -0.944) 17.101 17.164 ( 1.420 -8.576 -10.567) 13.683 18.534 ( -5.507 -4.869 11.621) 13.751 19.377 ( 3.400 -2.836 -13.692) 14.390 20.174 ( -2.685 1.091 1.665) 3.343 21.190 ( 8.444 10.973 -2.596) 14.087 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -10.515 4.599 2.282) 11.702 2.480 ( -8.647 8.194 10.818) 16.092 2.639 ( -0.348 -3.623 -1.645) 3.994 3.048 ( 8.036 -1.345 -7.614) 11.152 3.683 ( 2.541 -11.591 -2.589) 12.146 3.852 ( 6.183 1.124 1.040) 6.370 4.708 ( 2.122 2.124 -4.084) 5.069 5.644 ( -6.558 1.337 7.404) 9.981 6.106 ( 12.293 -11.229 -5.410) 17.506 6.675 ( -26.911 19.204 6.988) 33.791 7.170 ( -7.638 -0.646 3.933) 8.615 7.823 ( -2.694 8.377 1.102) 8.868 8.394 ( 3.384 10.188 -1.553) 10.848 8.746 ( 12.445 -8.025 -1.535) 14.888 8.881 ( 5.266 -3.424 1.148) 6.386 9.394 ( 4.492 7.914 -1.182) 9.176 10.040 ( 0.607 -5.457 -1.041) 5.588 10.478 ( -19.676 -13.440 -2.285) 23.938 11.228 ( -1.688 5.116 -6.775) 8.656 12.245 ( -0.931 -2.824 -4.203) 5.149 12.736 ( 4.181 1.695 1.317) 4.700 12.984 ( 8.547 -3.527 7.840) 12.123 13.821 ( 1.486 -5.366 5.534) 7.851 14.247 ( 12.428 -19.891 10.188) 25.571 16.132 ( 7.998 18.888 14.968) 25.392 16.807 ( -5.627 7.487 -3.529) 10.008 18.216 ( -11.984 0.211 -9.703) 15.421 19.220 ( 0.890 5.656 -9.826) 11.372 20.158 ( -0.723 2.285 -5.297) 5.814 21.349 ( -0.902 -6.603 -2.796) 7.227 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -5.520 14.224 3.648) 15.687 2.476 ( -6.427 5.508 10.000) 13.102 2.629 ( 0.890 -0.084 -0.116) 0.901 3.084 ( 3.570 -1.860 -7.546) 8.552 3.590 ( 1.992 -13.310 -1.491) 13.541 3.951 ( 4.031 0.587 -1.720) 4.421 4.713 ( 1.061 -3.120 -3.599) 4.880 5.586 ( -2.561 -4.353 5.790) 7.683 6.138 ( 8.498 -12.132 -3.719) 15.272 6.526 ( -23.272 28.386 6.933) 37.355 7.106 ( -6.036 4.123 8.377) 11.118 7.868 ( -1.980 8.891 -0.349) 9.116 8.544 ( 1.609 9.544 -2.688) 10.045 8.840 ( 10.681 -5.949 -1.264) 12.291 8.967 ( 5.966 -0.102 -2.524) 6.478 9.529 ( 1.465 4.550 -3.578) 5.971 9.806 ( -17.062 -8.605 6.165) 20.079 10.199 ( 2.574 -10.415 -2.067) 10.926 11.254 ( 3.103 4.192 -4.601) 6.955 12.180 ( -2.194 -1.548 -3.130) 4.124 12.836 ( 5.886 1.261 0.424) 6.035 13.185 ( 12.154 -2.785 9.423) 15.629 13.600 ( -9.741 -11.417 -4.189) 15.582 14.482 ( 19.369 -15.385 19.088) 31.244 16.440 ( 1.838 11.839 3.035) 12.359 16.850 ( -1.281 16.493 8.122) 18.429 17.954 ( -13.144 1.852 -12.956) 18.549 19.220 ( -0.910 7.126 -12.496) 14.414 20.153 ( 0.399 3.957 -6.176) 7.346 21.216 ( -3.151 -12.142 -1.338) 12.616 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 4.038 17.640 4.497) 18.647 2.497 ( -2.471 2.980 8.461) 9.305 2.646 ( -0.538 1.977 1.809) 2.733 3.050 ( -0.802 -1.041 -6.170) 6.309 3.487 ( 1.624 -13.033 -2.406) 13.352 3.949 ( -1.649 -1.689 -3.278) 4.040 4.632 ( -2.064 -7.921 -3.553) 8.923 5.578 ( 1.994 -3.703 5.973) 7.305 6.131 ( 7.635 -12.085 -1.738) 14.400 6.527 ( -17.720 32.739 6.321) 37.760 7.160 ( 0.334 5.770 10.643) 12.111 7.922 ( -1.247 8.884 -0.459) 8.983 8.478 ( -13.774 1.483 -7.505) 15.756 8.913 ( -1.752 -5.576 1.719) 6.092 9.035 ( 8.845 3.597 -6.403) 11.497 9.351 ( -4.561 -10.298 1.856) 11.415 9.835 ( 6.098 5.322 6.561) 10.419 10.190 ( 6.109 -7.126 -2.172) 9.634 11.349 ( 6.945 3.958 -3.807) 8.854 12.111 ( -3.679 0.120 -2.243) 4.311 12.944 ( 6.644 -0.485 0.448) 6.677 13.184 ( -8.173 -10.257 -1.231) 13.172 13.579 ( 14.753 -0.623 5.445) 15.738 14.698 ( 10.025 -14.173 19.289) 25.951 16.451 ( -2.954 6.277 -13.745) 15.396 17.128 ( 1.366 18.478 22.091) 28.832 17.726 ( -8.665 4.166 -13.389) 16.483 19.168 ( -4.245 7.314 -15.365) 17.538 20.168 ( 0.209 5.305 -5.746) 7.823 21.033 ( -3.322 -14.953 0.961) 15.347 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 6.750 9.184 1.405) 11.484 2.541 ( 0.292 2.411 3.805) 4.513 2.676 ( -0.755 3.276 6.564) 7.375 2.994 ( -1.667 0.870 -4.881) 5.231 3.379 ( 0.837 -10.709 -3.812) 11.398 3.878 ( -2.555 -0.399 0.120) 2.588 4.478 ( -4.082 -9.374 -4.531) 11.183 5.616 ( 0.287 -1.297 6.307) 6.445 6.149 ( 9.684 -14.009 -1.575) 17.103 6.612 ( -12.664 31.258 6.504) 34.348 7.332 ( 7.462 5.014 9.482) 13.067 7.953 ( -7.383 4.100 -0.123) 8.446 8.166 ( -12.177 2.315 -7.690) 14.587 8.836 ( -3.223 -0.890 0.768) 3.431 9.132 ( 3.265 -7.501 0.651) 8.207 9.284 ( 4.358 -2.797 -4.278) 6.716 10.008 ( 4.243 4.738 6.082) 8.800 10.216 ( 5.968 -6.163 -2.123) 8.838 11.480 ( 6.662 4.346 -5.643) 9.753 12.043 ( -3.656 -0.563 0.462) 3.728 12.946 ( -5.273 -7.140 -1.714) 9.041 13.060 ( 4.647 -0.526 0.227) 4.682 13.871 ( 16.254 0.088 4.578) 16.886 14.721 ( -4.681 -12.174 14.625) 19.596 16.396 ( 0.433 4.484 -11.274) 12.141 17.409 ( -2.331 14.784 22.703) 27.192 17.621 ( 0.363 4.872 -15.285) 16.047 19.060 ( -5.696 7.237 -15.572) 18.092 20.190 ( -0.416 6.362 -4.715) 7.930 20.865 ( -1.895 -14.790 3.658) 15.353 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -0.458 -0.553 0.276) 0.769 2.598 ( 2.878 4.619 -2.113) 5.838 2.756 ( 1.707 0.285 6.648) 6.870 2.961 ( 0.592 -0.062 -5.412) 5.445 3.287 ( -0.286 -5.732 -1.817) 6.020 3.912 ( 2.016 3.888 5.346) 6.911 4.303 ( -3.173 -7.735 -4.526) 9.507 5.627 ( -2.669 1.210 5.440) 6.179 6.097 ( -0.126 -13.392 -2.704) 13.662 6.801 ( 1.016 22.648 5.974) 23.445 7.569 ( 10.576 0.850 5.725) 12.056 7.720 ( -10.852 -1.208 -3.122) 11.357 8.181 ( 2.910 8.403 -2.241) 9.171 8.797 ( -3.076 1.445 1.831) 3.861 9.024 ( -3.560 -9.202 -2.260) 10.122 9.344 ( 6.250 -1.975 -3.370) 7.370 10.105 ( -0.499 3.054 4.767) 5.683 10.231 ( 3.662 -6.421 -0.844) 7.440 11.538 ( 0.296 5.297 -9.540) 10.916 11.999 ( -1.616 -2.658 3.774) 4.891 12.833 ( -2.503 -1.349 -0.907) 2.985 13.130 ( 5.180 -3.406 1.070) 6.291 14.107 ( 11.154 -1.774 1.622) 11.411 14.496 ( -17.323 -7.646 3.705) 19.295 16.449 ( 3.650 3.614 4.962) 7.142 17.524 ( -5.790 8.406 0.457) 10.217 17.659 ( 6.842 3.327 -6.003) 9.691 18.995 ( -1.646 8.882 -9.087) 12.813 20.224 ( -0.148 7.528 -3.646) 8.365 20.744 ( -0.977 -12.803 6.028) 14.185 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -3.132 0.969 0.504) 3.317 2.677 ( 3.746 -0.089 -0.754) 3.823 2.762 ( 1.123 -5.060 -2.191) 5.627 2.960 ( 3.857 0.551 -6.302) 7.410 3.260 ( -1.122 0.020 4.489) 4.627 3.951 ( -1.197 -2.944 0.520) 3.220 4.292 ( 5.998 3.183 2.716) 7.314 5.625 ( -2.897 2.503 3.657) 5.295 5.892 ( -8.935 -9.135 -3.048) 13.137 7.079 ( 7.506 12.666 3.237) 15.075 7.484 ( -0.988 -10.014 -3.397) 10.620 7.892 ( 15.003 4.915 2.363) 15.963 8.298 ( 5.335 4.097 0.775) 6.771 8.780 ( -3.201 2.084 2.319) 4.469 8.874 ( -5.285 -2.149 -4.723) 7.407 9.388 ( 4.374 -3.881 -1.633) 6.071 10.113 ( -3.226 1.713 2.747) 4.571 10.183 ( -2.225 -7.358 1.104) 7.766 11.492 ( -4.462 4.177 -9.776) 11.530 11.985 ( -0.625 -0.534 4.089) 4.171 12.819 ( 0.491 1.140 -0.047) 1.242 13.167 ( 3.790 -5.454 1.190) 6.747 14.062 ( -16.925 -13.973 3.330) 22.199 14.246 ( -2.808 6.527 -9.585) 11.931 16.604 ( 1.789 3.116 19.624) 19.950 17.431 ( -7.006 4.643 -14.336) 16.618 17.783 ( 11.983 -2.255 -5.652) 13.440 19.080 ( 3.426 10.629 -0.304) 11.172 20.291 ( 1.589 8.890 -2.768) 9.446 20.658 ( -1.838 -9.963 7.712) 12.732 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -5.703 1.507 2.405) 6.370 2.642 ( 1.825 -8.357 -4.267) 9.560 2.754 ( 4.197 -4.645 -4.840) 7.913 3.034 ( 6.972 2.412 -4.233) 8.505 3.272 ( -3.179 2.468 6.431) 7.586 3.936 ( 1.941 0.193 1.577) 2.508 4.460 ( 6.399 3.799 2.763) 7.938 5.571 ( -4.584 -7.118 -2.818) 8.923 5.710 ( -8.448 7.303 2.808) 11.515 7.183 ( -2.345 0.649 -3.075) 3.921 7.502 ( 17.869 -14.308 0.079) 22.892 8.120 ( 7.465 0.101 -2.140) 7.766 8.522 ( 16.763 5.079 8.392) 19.422 8.708 ( -4.795 -1.589 -4.604) 6.835 8.810 ( -5.361 10.556 -2.153) 12.034 9.393 ( 2.032 -5.641 0.171) 5.999 10.039 ( -6.661 -7.713 -0.554) 10.206 10.081 ( -4.899 1.328 4.019) 6.475 11.373 ( -6.534 0.297 -6.527) 9.240 12.032 ( 1.358 4.834 3.324) 6.022 12.853 ( 1.257 2.652 -0.273) 2.947 13.164 ( 1.979 -6.328 0.441) 6.644 13.648 ( -19.430 -8.197 -1.959) 21.180 14.168 ( -7.118 2.418 -9.382) 12.022 16.725 ( -5.361 2.453 19.005) 19.898 17.279 ( -2.904 0.095 -15.001) 15.280 17.947 ( 16.562 -4.914 -3.761) 17.681 19.245 ( 3.852 8.733 2.490) 9.864 20.409 ( 4.202 8.074 -1.012) 9.159 20.587 ( -3.721 -4.064 7.401) 9.227 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -6.325 -1.271 1.026) 6.532 2.618 ( 5.372 -5.710 -2.075) 8.110 2.720 ( 2.841 -8.117 -5.337) 10.121 3.142 ( 5.743 -0.082 -1.716) 5.995 3.288 ( -3.098 5.793 6.055) 8.934 4.011 ( 2.678 1.975 3.015) 4.490 4.561 ( 2.283 1.413 -0.526) 2.736 5.435 ( -1.336 -1.839 -3.876) 4.494 5.710 ( -7.260 10.816 4.533) 13.793 7.111 ( 0.617 -5.879 -3.159) 6.703 7.662 ( 20.949 -20.627 -0.410) 29.402 8.142 ( 1.176 -5.437 -0.558) 5.591 8.576 ( -9.777 5.772 -3.650) 11.926 8.691 ( -6.442 0.589 2.140) 6.813 9.117 ( 26.364 18.726 2.716) 32.451 9.332 ( -2.006 -8.699 0.556) 8.944 9.837 ( -9.386 -7.056 -0.230) 11.745 10.041 ( -3.629 0.778 2.883) 4.700 11.259 ( -3.906 0.543 -2.285) 4.558 12.138 ( 3.454 5.498 2.517) 6.964 12.876 ( -2.408 2.246 -1.395) 3.576 13.099 ( -3.593 -6.782 -2.472) 8.063 13.372 ( -5.496 -0.142 1.213) 5.630 13.965 ( -12.692 0.551 -9.882) 16.095 16.664 ( -11.680 1.324 3.302) 12.210 17.189 ( 1.315 -5.897 -5.283) 8.026 18.176 ( 17.330 -4.469 2.833) 18.120 19.355 ( 0.865 4.103 0.860) 4.280 20.441 ( -4.616 -5.922 8.307) 11.197 20.665 ( 5.656 14.963 -1.997) 16.121 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -0.641 -1.182 0.129) 1.351 2.630 ( -0.883 -6.370 -0.348) 6.440 2.674 ( 7.345 -6.846 -3.091) 10.506 3.153 ( -2.319 -2.671 1.205) 3.737 3.365 ( 0.506 7.671 4.396) 8.856 4.043 ( 1.083 -4.562 1.002) 4.795 4.573 ( -1.600 4.277 -2.567) 5.238 5.483 ( 7.450 4.495 -3.577) 9.408 5.707 ( -8.764 10.613 5.295) 14.747 7.083 ( 3.635 -5.234 -0.802) 6.423 7.747 ( 14.946 -26.581 0.118) 30.495 8.087 ( 0.302 -4.370 -1.932) 4.787 8.476 ( -9.143 8.386 0.137) 12.407 8.558 ( -9.584 -0.927 0.618) 9.649 9.151 ( -8.595 -10.210 0.948) 13.380 9.620 ( -6.114 -6.302 -4.763) 9.989 9.783 ( 25.896 18.533 5.291) 32.281 10.022 ( -0.358 1.275 2.587) 2.907 11.255 ( 1.586 3.044 1.318) 3.676 12.265 ( 5.885 3.251 2.164) 7.063 12.781 ( -7.079 -0.030 -1.721) 7.285 12.943 ( -2.826 -8.845 -4.161) 10.175 13.484 ( 5.979 11.872 3.823) 13.831 13.686 ( -14.173 -1.034 -7.428) 16.035 16.449 ( -12.926 -2.979 -5.670) 14.425 17.124 ( 0.703 -8.272 -1.315) 8.405 18.412 ( 12.905 -4.409 6.718) 15.202 19.362 ( -1.972 0.515 -1.354) 2.447 20.342 ( -7.051 -3.311 7.682) 10.940 20.912 ( 8.409 15.346 -3.421) 17.830 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 4.180 -1.340 0.576) 4.427 2.520 ( -5.419 -5.300 1.717) 7.772 2.739 ( 8.629 -4.673 -2.614) 10.155 3.054 ( -6.835 -3.503 1.180) 7.771 3.468 ( 0.724 7.266 3.860) 8.260 3.988 ( 0.972 -10.068 -0.172) 10.116 4.588 ( -0.955 7.719 -4.038) 8.763 5.643 ( -1.361 12.342 3.555) 12.916 5.713 ( 3.966 1.933 -1.010) 4.526 7.105 ( 0.971 -0.349 2.046) 2.292 7.619 ( -2.166 -19.558 0.087) 19.678 8.058 ( 0.739 -7.903 -0.567) 7.958 8.414 ( -4.358 1.151 -2.962) 5.394 8.463 ( -1.791 1.873 4.740) 5.402 8.920 ( -9.102 -7.231 0.705) 11.646 9.448 ( -5.291 -4.842 -3.398) 7.937 9.987 ( 1.564 -2.303 0.609) 2.850 10.399 ( 18.820 18.307 1.630) 26.306 11.355 ( 4.287 3.741 2.927) 6.399 12.394 ( 4.253 4.675 -2.597) 6.833 12.747 ( 5.771 -2.706 6.988) 9.459 12.792 ( -3.519 -7.730 -4.451) 9.589 13.344 ( -13.029 -5.881 -8.561) 16.662 13.837 ( 9.339 18.501 9.478) 22.789 16.151 ( -12.787 -8.228 -7.360) 16.893 17.044 ( -0.928 -6.894 -1.443) 7.104 18.549 ( 4.741 -4.773 5.664) 8.794 19.306 ( -2.926 -0.423 -3.118) 4.297 20.262 ( -5.252 -0.212 5.076) 7.308 21.148 ( 7.551 12.147 -4.158) 14.895 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -6.711 5.410 4.327) 9.645 2.520 ( 7.498 -6.292 -0.587) 9.806 2.738 ( -9.180 2.120 1.785) 9.589 2.901 ( 6.804 4.794 -4.506) 9.465 3.565 ( -1.616 -9.078 -0.610) 9.240 3.837 ( 1.035 7.363 0.840) 7.482 4.682 ( 0.217 0.689 -3.261) 3.340 5.731 ( 13.205 -10.757 -5.600) 17.929 5.827 ( -9.858 -2.633 4.321) 11.081 7.132 ( -7.213 -0.431 4.010) 8.264 7.306 ( -4.546 12.647 0.679) 13.456 7.890 ( 3.706 6.019 -2.916) 7.646 8.432 ( 2.050 6.165 1.208) 6.608 8.550 ( 1.935 -4.603 5.149) 7.172 8.788 ( 5.082 0.562 -1.150) 5.241 9.388 ( 2.889 5.176 -0.352) 5.938 9.967 ( 1.516 -1.484 -0.153) 2.126 10.630 ( -13.665 -12.204 -3.846) 18.721 11.288 ( -6.583 1.721 -5.812) 8.948 12.258 ( -5.785 1.796 -5.123) 7.933 12.733 ( 1.366 3.412 1.606) 4.011 12.891 ( 4.433 -2.295 7.498) 9.008 13.643 ( 22.293 -4.394 15.652) 27.591 14.027 ( -7.299 -21.262 -4.250) 22.878 16.141 ( 15.095 11.330 7.716) 20.391 17.025 ( -6.927 10.841 10.044) 16.322 18.279 ( -5.364 -2.543 -14.255) 15.441 19.269 ( -4.080 7.448 -1.131) 8.567 20.167 ( -1.955 0.230 -2.533) 3.207 21.298 ( -1.955 -4.752 -4.783) 7.019 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -5.431 7.745 3.819) 10.201 2.588 ( 3.600 -0.286 0.576) 3.657 2.661 ( -4.089 2.343 3.630) 5.949 3.003 ( 3.417 4.784 -4.878) 7.639 3.455 ( -0.644 -9.620 -1.497) 9.757 3.924 ( 1.358 5.421 -0.153) 5.590 4.661 ( 0.179 -2.351 -3.081) 3.880 5.653 ( -8.320 -4.375 3.006) 9.870 5.811 ( 13.155 -14.160 -4.087) 19.755 7.046 ( -9.810 8.464 4.705) 13.784 7.351 ( -10.049 17.804 4.658) 20.968 7.969 ( -0.638 8.029 -0.996) 8.116 8.556 ( 3.670 2.191 -0.335) 4.287 8.610 ( 11.140 -2.415 1.591) 11.509 8.896 ( 4.582 6.142 -1.849) 7.883 9.500 ( 4.891 4.550 -2.254) 7.050 9.968 ( -1.425 -1.814 0.492) 2.359 10.165 ( -19.841 -17.582 0.234) 26.511 11.230 ( 0.187 1.635 -4.011) 4.335 12.182 ( -2.482 0.068 -3.029) 3.916 12.809 ( 2.519 4.293 1.203) 5.121 13.033 ( 9.535 -2.008 8.947) 13.228 13.617 ( -10.421 -15.074 -4.698) 18.918 14.081 ( 24.394 -13.144 13.593) 30.864 16.442 ( 7.159 4.515 1.607) 8.616 17.136 ( -3.415 16.410 17.550) 24.268 18.067 ( -8.903 1.766 -17.476) 19.693 19.266 ( -3.452 7.643 -5.032) 9.780 20.151 ( 0.110 3.037 -3.137) 4.367 21.152 ( -4.009 -10.786 -3.844) 12.132 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 1.348 7.694 3.115) 8.409 2.607 ( -2.654 3.406 3.783) 5.741 2.704 ( 0.480 4.259 4.699) 6.359 3.040 ( -0.167 4.076 -5.214) 6.620 3.351 ( -0.166 -9.464 -2.026) 9.680 3.950 ( -1.498 1.003 -1.661) 2.451 4.600 ( -2.542 -3.733 -2.858) 5.345 5.554 ( -0.725 -3.543 3.641) 5.132 5.844 ( 10.164 -14.428 -3.459) 17.985 7.052 ( -7.502 16.707 5.296) 19.065 7.359 ( -11.972 14.518 7.881) 20.401 8.020 ( -1.419 8.163 0.134) 8.286 8.575 ( -0.924 -0.827 -5.636) 5.770 8.792 ( 9.256 -3.228 3.824) 10.522 9.003 ( 1.918 11.081 -7.010) 13.251 9.416 ( -13.717 -11.055 -1.443) 17.676 9.836 ( 0.890 -0.209 7.940) 7.993 10.025 ( 4.739 -4.800 -1.927) 7.015 11.271 ( 4.804 2.238 -1.718) 5.571 12.130 ( -1.879 -1.238 -2.289) 3.210 12.889 ( 2.344 2.897 0.084) 3.728 13.177 ( 0.614 -6.783 3.768) 7.784 13.398 ( 5.764 -5.538 0.546) 8.012 14.398 ( 21.165 -14.016 12.805) 28.432 16.455 ( -3.655 0.669 -9.810) 10.490 17.384 ( 2.325 10.739 20.347) 23.124 17.876 ( -10.162 10.824 -11.331) 18.677 19.224 ( -4.880 5.991 -9.563) 12.295 20.184 ( 0.667 5.835 -2.927) 6.562 20.952 ( -3.801 -14.338 -1.953) 14.962 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 5.235 2.879 0.934) 6.047 2.632 ( -3.073 5.380 5.060) 8.000 2.767 ( -1.290 4.406 5.222) 6.953 3.022 ( -2.715 3.546 -4.877) 6.612 3.262 ( 0.630 -7.530 -1.787) 7.765 3.908 ( -1.819 0.071 0.019) 1.821 4.472 ( -6.332 -4.755 -3.747) 8.760 5.600 ( 3.930 0.009 4.413) 5.909 5.848 ( 10.042 -14.097 -2.576) 17.498 7.139 ( -11.564 24.583 4.788) 27.586 7.345 ( -2.714 1.371 8.000) 8.558 8.075 ( -2.114 7.240 0.604) 7.567 8.374 ( -16.469 -1.806 -7.841) 18.329 8.841 ( 1.489 -4.565 2.105) 5.243 9.059 ( -0.806 -2.553 0.472) 2.718 9.211 ( 0.488 0.968 -2.922) 3.116 9.980 ( 8.466 0.412 4.345) 9.525 10.062 ( 4.363 -1.360 -1.138) 4.710 11.396 ( 6.919 4.809 -1.026) 8.488 12.070 ( -1.967 -3.157 -0.832) 3.812 12.906 ( 0.059 -4.039 -2.186) 4.593 13.067 ( -3.736 0.578 -0.803) 3.865 13.627 ( 17.136 -0.791 4.427) 17.716 14.617 ( 12.728 -14.485 12.594) 23.032 16.306 ( -2.681 -0.490 -17.519) 17.730 17.510 ( 1.173 -1.343 -3.388) 3.828 17.894 ( -9.474 21.752 18.467) 30.066 19.115 ( -5.758 3.879 -13.068) 14.797 20.234 ( -0.198 7.400 -2.777) 7.906 20.771 ( -1.390 -14.443 1.258) 14.564 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 4.207 -0.082 1.504) 4.468 2.631 ( -3.865 3.745 -0.571) 5.412 2.790 ( -1.949 -0.595 2.932) 3.570 2.971 ( -3.633 2.439 -4.144) 6.027 3.237 ( 1.964 -1.192 2.026) 3.063 3.936 ( 1.755 2.462 3.916) 4.947 4.293 ( -6.036 -4.653 -4.133) 8.670 5.651 ( 1.377 -3.290 1.128) 3.741 5.910 ( 9.206 -5.932 0.973) 10.995 7.118 ( -14.026 12.878 3.768) 19.411 7.447 ( 8.645 0.016 4.996) 9.985 7.903 ( -17.329 -4.479 -4.306) 18.409 8.239 ( -1.276 8.354 0.308) 8.457 8.828 ( -0.004 -3.364 0.777) 3.452 8.972 ( -1.297 -7.068 -1.057) 7.264 9.283 ( 1.906 6.828 -1.885) 7.335 10.076 ( 6.386 -5.569 -3.034) 9.000 10.154 ( 2.860 4.030 5.821) 7.636 11.524 ( 2.942 6.431 -3.568) 7.921 12.015 ( -0.860 -3.758 2.198) 4.438 12.841 ( -1.034 -2.342 -2.015) 3.258 13.063 ( 0.928 1.416 -1.492) 2.257 13.895 ( 14.543 -0.823 0.252) 14.568 14.632 ( -4.158 -11.366 8.288) 14.668 16.254 ( 11.304 -2.515 -15.078) 19.012 17.445 ( -0.628 -1.298 -12.923) 13.003 18.029 ( -14.598 15.586 25.637) 33.366 19.021 ( -0.697 5.098 -10.335) 11.545 20.281 ( -0.552 7.729 -2.770) 8.229 20.665 ( 0.823 -11.755 5.129) 12.852 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -1.201 0.960 3.359) 3.694 2.615 ( 2.432 0.028 -4.147) 4.808 2.712 ( -3.739 -6.248 -2.468) 7.688 2.925 ( -1.490 3.004 -4.541) 5.645 3.316 ( 1.006 4.537 7.940) 9.200 3.936 ( -1.894 -5.447 -1.103) 5.871 4.270 ( 3.898 5.485 3.305) 7.497 5.615 ( 1.170 -7.355 -2.450) 7.840 5.974 ( -2.814 4.649 2.465) 5.967 7.052 ( 0.972 -5.883 1.960) 6.277 7.496 ( -9.941 -3.896 -2.756) 11.027 7.732 ( 8.429 1.544 0.205) 8.572 8.309 ( 0.159 4.554 3.678) 5.856 8.771 ( 0.187 -6.460 -2.944) 7.102 8.933 ( -1.503 4.416 -1.162) 4.807 9.344 ( 0.031 3.840 0.493) 3.871 10.083 ( 2.594 -4.813 -3.272) 6.372 10.230 ( -1.440 1.766 6.291) 6.691 11.548 ( -3.307 5.518 -6.080) 8.852 12.010 ( 0.770 -0.756 4.406) 4.536 12.823 ( 0.329 1.100 -0.952) 1.492 13.083 ( 2.399 -1.408 -1.351) 3.092 14.031 ( 5.068 -5.247 -3.743) 8.199 14.410 ( -14.451 -2.311 -2.177) 14.795 16.441 ( 21.936 -5.995 -4.664) 23.214 17.333 ( -1.804 -2.347 -13.817) 14.130 17.976 ( -17.757 7.440 14.980) 24.394 19.102 ( 5.068 8.935 0.290) 10.276 20.335 ( 0.664 7.431 -2.605) 7.902 20.631 ( 0.972 -7.691 8.551) 11.542 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -0.817 -0.229 0.879) 1.222 2.543 ( -5.407 -9.879 -4.251) 12.037 2.639 ( 2.753 -1.923 -2.340) 4.093 2.943 ( 3.401 3.488 -4.907) 6.914 3.391 ( -2.844 4.264 8.106) 9.591 3.906 ( 3.521 0.251 1.271) 3.752 4.432 ( 4.784 5.598 4.190) 8.473 5.526 ( -1.101 -7.228 -5.154) 8.945 5.957 ( -8.866 11.453 2.965) 14.784 7.058 ( 14.150 -22.571 -0.057) 26.639 7.253 ( -10.003 -4.383 -4.193) 11.699 7.951 ( 12.751 1.180 -2.030) 12.966 8.402 ( 7.208 0.767 8.732) 11.349 8.716 ( -0.477 0.310 -5.173) 5.204 8.952 ( -2.926 8.053 -2.362) 8.888 9.362 ( -1.250 0.437 2.164) 2.537 10.028 ( -1.737 -5.875 -1.811) 6.388 10.218 ( -5.472 1.408 5.552) 7.922 11.465 ( -7.274 3.208 -5.302) 9.555 12.075 ( 1.883 3.643 5.053) 6.508 12.851 ( 1.300 3.259 -1.389) 3.774 13.096 ( 2.076 -2.595 0.080) 3.324 13.842 ( -15.138 -9.420 -3.122) 18.101 14.232 ( -5.843 5.923 -13.315) 15.701 16.688 ( 17.497 -10.765 -3.372) 20.818 17.213 ( -2.989 -1.974 -3.314) 4.880 17.858 ( -7.094 2.842 4.331) 8.784 19.285 ( 4.048 8.546 5.615) 10.997 20.411 ( 2.725 5.062 -1.195) 5.872 20.647 ( -0.252 -0.864 9.536) 9.578 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -3.940 -13.051 -4.700) 14.420 2.460 ( 1.877 -3.781 0.163) 4.225 2.633 ( 0.235 -1.663 -1.531) 2.272 3.031 ( 6.629 2.896 -3.443) 8.011 3.423 ( -2.981 5.359 6.328) 8.812 4.022 ( 3.232 3.742 5.394) 7.317 4.543 ( 2.219 4.166 0.454) 4.742 5.414 ( -2.026 -2.600 -6.099) 6.933 5.966 ( -6.883 13.502 4.039) 15.684 6.994 ( 5.133 -22.242 -3.617) 23.112 7.149 ( 10.505 -14.864 -1.584) 18.270 8.051 ( 4.139 -5.324 -0.821) 6.794 8.674 ( 12.214 -1.083 4.251) 12.978 8.696 ( -1.142 5.900 -2.405) 6.472 8.998 ( 4.368 14.460 -3.539) 15.515 9.324 ( -3.917 -4.366 3.659) 6.913 9.901 ( -6.132 -7.151 1.332) 9.514 10.165 ( -6.295 2.721 3.880) 7.880 11.351 ( -6.880 3.101 -2.345) 7.902 12.169 ( 1.395 4.202 4.879) 6.588 12.888 ( 0.240 2.080 -2.323) 3.127 13.110 ( -0.256 0.644 0.236) 0.732 13.501 ( -13.392 -3.689 -2.717) 14.154 14.090 ( -8.833 5.263 -16.798) 19.695 16.670 ( 2.985 -14.100 -15.893) 21.455 17.184 ( -4.626 -2.697 15.007) 15.934 17.917 ( 11.393 0.470 0.232) 11.405 19.414 ( -0.294 5.257 5.877) 7.890 20.471 ( 0.954 -2.606 5.247) 5.936 20.736 ( 1.636 11.215 3.380) 11.827 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 0.371 -11.008 -1.429) 11.106 2.456 ( 6.440 -9.524 -3.172) 11.926 2.608 ( -1.318 -0.183 -0.846) 1.577 3.147 ( 3.694 3.108 1.473) 5.047 3.469 ( -1.574 6.475 4.202) 7.878 4.056 ( -4.046 -1.987 4.243) 6.191 4.609 ( 0.941 6.428 -2.425) 6.934 5.382 ( 3.258 1.796 -6.479) 7.472 6.012 ( -7.685 14.483 5.602) 17.326 6.892 ( 8.808 -17.874 -2.831) 20.126 7.203 ( 17.412 -21.860 -0.757) 27.957 8.024 ( 0.836 -7.317 0.024) 7.365 8.625 ( -6.805 2.047 -5.108) 8.752 8.738 ( -4.640 2.809 3.379) 6.391 9.154 ( -6.045 -9.326 -0.027) 11.114 9.456 ( 21.061 13.968 -2.772) 25.424 9.760 ( -3.196 -3.878 8.848) 10.175 10.123 ( -5.374 5.104 2.732) 7.899 11.303 ( -2.433 4.111 0.795) 4.843 12.253 ( 1.949 2.700 5.619) 6.531 12.853 ( -3.019 -1.130 -1.846) 3.714 12.971 ( -12.082 -2.467 -6.498) 13.939 13.500 ( 6.595 9.486 3.323) 12.021 13.864 ( -12.884 5.447 -15.841) 21.133 16.428 ( -3.146 -15.738 -17.463) 23.718 17.139 ( -6.206 -4.813 13.569) 15.678 18.168 ( 16.664 -1.267 2.885) 16.960 19.442 ( -4.251 2.669 5.305) 7.303 20.448 ( -3.928 -5.012 8.868) 10.918 20.927 ( 5.250 15.931 -2.592) 16.973 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 4.527 -7.498 1.883) 8.958 2.463 ( 10.735 -12.425 -6.088) 17.513 2.585 ( -2.333 2.736 -0.043) 3.596 3.171 ( -6.193 1.708 4.773) 8.003 3.555 ( 1.524 7.634 3.068) 8.367 3.945 ( -5.524 -6.271 1.637) 8.515 4.652 ( -1.272 6.977 -3.154) 7.762 5.460 ( 8.808 1.109 -8.085) 12.007 6.037 ( -10.478 14.342 7.405) 19.243 6.924 ( 15.309 -15.134 -1.524) 21.581 7.274 ( 14.411 -18.744 0.419) 23.647 7.953 ( 0.194 -8.606 -1.970) 8.831 8.491 ( -6.093 -1.022 -2.635) 6.716 8.689 ( -11.030 6.823 5.637) 14.142 8.947 ( -6.029 -10.626 0.732) 12.239 9.494 ( -6.121 -2.805 -2.524) 7.190 9.984 ( 2.859 2.594 0.812) 3.945 10.268 ( 16.355 16.308 4.485) 23.528 11.358 ( 2.495 4.032 3.919) 6.151 12.364 ( 4.697 2.327 8.421) 9.919 12.734 ( -7.537 -2.140 -8.125) 11.287 12.786 ( -2.950 -1.657 0.045) 3.384 13.488 ( -14.325 0.822 -14.418) 20.342 13.894 ( 9.260 17.098 6.252) 20.425 16.107 ( -5.483 -17.706 -15.595) 24.223 17.073 ( -5.132 -3.739 10.038) 11.877 18.391 ( 11.424 -3.594 1.877) 12.122 19.405 ( -6.540 2.144 5.283) 8.677 20.374 ( -5.634 -3.483 7.246) 9.818 21.134 ( 5.616 13.898 -5.117) 15.839 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 15.138 -7.819 -1.742) 17.127 2.347 ( -4.064 6.681 5.741) 9.701 2.791 ( 3.160 -0.780 -3.718) 4.941 2.911 ( -5.517 3.078 -2.206) 6.692 3.573 ( -6.265 -4.087 1.488) 7.627 3.950 ( -2.879 11.665 0.835) 12.044 4.671 ( -1.120 -1.795 -2.804) 3.513 5.382 ( 11.620 -11.011 -3.598) 16.408 6.051 ( -15.228 0.594 1.887) 15.356 7.007 ( 17.354 -7.698 0.764) 19.001 7.335 ( 8.605 0.328 -5.191) 10.054 7.846 ( 7.684 9.229 0.056) 12.009 8.463 ( -1.458 0.402 3.262) 3.595 8.667 ( -5.833 3.588 8.092) 10.601 8.730 ( -0.755 2.986 -3.033) 4.323 9.404 ( 0.073 2.925 0.610) 2.989 9.987 ( -3.101 2.727 -0.236) 4.136 10.617 ( -1.960 -9.993 -7.196) 12.469 11.394 ( -9.220 -1.773 -2.660) 9.758 12.404 ( -11.029 6.412 -8.705) 15.444 12.752 ( -0.483 1.464 1.424) 2.099 12.894 ( 0.880 0.395 9.285) 9.335 13.346 ( 17.609 -0.919 12.786) 21.781 13.964 ( -10.343 -20.592 -4.126) 23.410 15.986 ( 19.002 6.586 6.596) 21.165 17.288 ( -4.163 11.185 13.934) 18.346 18.193 ( 0.189 -5.143 -16.061) 16.865 19.457 ( -8.531 8.459 3.107) 12.409 20.202 ( -3.202 -1.078 1.764) 3.812 21.270 ( -3.069 -2.898 -7.399) 8.519 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -2.703 -3.219 3.962) 5.776 2.484 ( 8.816 5.609 0.297) 10.453 2.723 ( -2.664 0.129 -2.713) 3.804 2.978 ( 4.536 4.971 -2.604) 7.215 3.448 ( -6.043 -3.402 0.873) 6.990 4.008 ( -2.833 9.608 0.022) 10.016 4.619 ( 0.109 -3.707 -2.500) 4.473 5.454 ( 12.362 -12.752 -1.391) 17.815 5.819 ( -13.949 -0.787 0.674) 13.987 7.108 ( 3.500 -2.818 1.592) 4.767 7.560 ( 11.844 12.047 -3.311) 17.215 8.023 ( 2.112 10.358 0.401) 10.579 8.468 ( 1.002 -5.817 2.989) 6.616 8.589 ( -4.292 3.533 5.710) 7.969 8.877 ( 7.134 10.064 -2.261) 12.541 9.453 ( 2.909 2.613 -2.134) 4.454 9.965 ( -1.532 0.728 -0.089) 1.699 10.328 ( -15.611 -15.114 -2.433) 21.864 11.245 ( -4.615 -0.750 -2.927) 5.516 12.257 ( -7.711 3.878 -5.415) 10.189 12.803 ( 3.131 1.546 2.662) 4.391 12.979 ( 2.941 1.344 7.021) 7.730 13.577 ( -4.132 -19.716 -3.435) 20.436 13.704 ( 14.964 -5.337 10.335) 18.953 16.328 ( 13.063 0.712 6.840) 14.762 17.410 ( -3.780 9.091 16.242) 18.993 18.065 ( -1.254 3.941 -20.222) 20.641 19.411 ( -7.425 7.446 -1.253) 10.589 20.187 ( -1.490 3.715 2.656) 4.804 21.104 ( -5.366 -9.276 -6.657) 12.615 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -0.697 -1.677 2.799) 3.337 2.643 ( 4.529 3.429 1.573) 5.894 2.739 ( 2.646 5.045 -0.181) 5.700 3.059 ( 1.116 5.356 -1.929) 5.801 3.328 ( -5.417 -3.525 -0.016) 6.463 4.012 ( -4.405 3.974 -1.278) 6.069 4.589 ( 0.277 -1.705 -1.419) 2.236 5.503 ( 8.346 -12.267 -0.117) 14.837 5.640 ( -6.064 -1.487 -0.187) 6.246 7.157 ( 2.516 2.079 2.011) 3.834 7.768 ( -6.015 19.042 1.629) 20.036 8.112 ( -0.970 7.800 0.829) 7.903 8.445 ( 6.470 -8.609 0.374) 10.776 8.670 ( 5.158 0.161 3.305) 6.128 9.064 ( 3.157 15.640 -4.609) 16.608 9.460 ( -2.694 -6.019 -3.855) 7.639 9.904 ( -8.766 -9.458 0.387) 12.902 9.986 ( -4.208 0.097 3.846) 5.702 11.216 ( 2.430 0.674 -0.789) 2.642 12.159 ( -4.811 0.914 -3.532) 6.038 12.882 ( 2.443 1.224 0.427) 2.766 13.098 ( 7.385 -1.052 6.442) 9.856 13.317 ( -4.936 -9.260 -2.562) 10.801 13.986 ( 20.755 -10.905 6.951) 24.455 16.450 ( 0.697 -3.426 0.946) 3.622 17.472 ( -0.770 -2.787 6.207) 6.848 18.068 ( -0.972 18.605 -5.064) 19.307 19.333 ( -7.416 4.638 -5.518) 10.342 20.244 ( -0.863 8.196 2.964) 8.758 20.874 ( -5.335 -13.502 -5.242) 15.435 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 3.699 -1.793 0.740) 4.176 2.743 ( 0.671 5.539 4.932) 7.447 2.820 ( 1.260 2.779 -0.583) 3.106 3.092 ( -2.105 5.985 -1.139) 6.446 3.218 ( -3.254 -3.946 -0.417) 5.132 3.958 ( -3.665 1.848 0.353) 4.120 4.532 ( -5.730 -1.980 -2.187) 6.445 5.530 ( 6.330 -7.109 -0.043) 9.519 5.602 ( 4.388 -2.510 0.164) 5.058 7.248 ( 4.302 1.894 2.911) 5.529 7.716 ( -18.886 12.611 3.341) 22.954 8.169 ( -0.958 6.555 1.264) 6.744 8.469 ( -0.533 -2.947 -5.522) 6.281 8.741 ( 5.860 -4.762 1.449) 7.688 9.102 ( -10.350 -9.270 2.206) 14.068 9.286 ( -3.173 12.033 -2.625) 12.718 9.837 ( 5.198 -3.729 -0.942) 6.466 10.036 ( 3.277 3.738 3.121) 5.870 11.323 ( 7.651 4.000 1.232) 8.721 12.070 ( -3.573 -2.613 -1.628) 4.716 12.873 ( -1.102 -2.489 -3.051) 4.089 13.150 ( -4.493 2.554 1.147) 5.294 13.367 ( 15.912 -1.549 2.105) 16.125 14.238 ( 21.437 -13.938 4.275) 25.925 16.316 ( -8.891 -4.377 -8.086) 12.790 17.436 ( 1.427 -5.398 -4.278) 7.034 18.286 ( -0.583 21.325 15.514) 26.378 19.189 ( -8.826 1.193 -9.335) 12.902 20.321 ( -2.119 9.509 1.686) 9.887 20.663 ( -1.763 -13.657 -2.115) 13.932 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 6.293 -0.986 0.108) 6.370 2.746 ( -6.013 0.736 -0.623) 6.090 2.825 ( -2.511 -0.314 0.048) 2.531 3.074 ( -6.196 5.783 -1.637) 8.632 3.217 ( 4.405 1.880 4.654) 6.678 3.964 ( -0.568 2.694 3.498) 4.451 4.356 ( -8.599 -3.686 -3.221) 9.894 5.509 ( 5.028 -11.457 -4.019) 13.141 5.782 ( 10.265 7.843 4.710) 13.750 7.298 ( -0.456 -10.899 2.419) 11.173 7.525 ( -13.878 10.601 1.290) 17.512 8.102 ( -14.138 -4.174 -3.503) 15.152 8.363 ( -3.508 6.835 0.445) 7.695 8.763 ( -0.631 -8.869 0.262) 8.895 8.918 ( 1.424 -6.396 2.336) 6.956 9.393 ( -2.781 16.692 -0.646) 16.934 9.895 ( 7.643 -4.678 -3.063) 9.470 10.167 ( 4.465 5.094 4.105) 7.920 11.510 ( 6.978 7.103 0.827) 9.991 11.992 ( -1.407 -4.176 1.127) 4.548 12.815 ( -0.634 -1.572 -3.094) 3.528 13.111 ( -4.188 4.243 -1.725) 6.206 13.637 ( 16.720 0.104 -2.100) 16.852 14.446 ( 16.796 -14.230 4.217) 22.414 16.073 ( -5.471 -4.860 -14.682) 16.404 17.381 ( 0.258 -3.200 -6.238) 7.015 18.534 ( -9.107 16.691 26.120) 32.308 19.006 ( -3.404 -0.073 -12.082) 12.553 20.351 ( -2.093 3.716 -0.129) 4.266 20.575 ( 1.706 -5.723 2.542) 6.490 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 6.777 -0.094 1.126) 6.871 2.616 ( -6.792 -2.759 -4.611) 8.661 2.722 ( -4.965 -3.910 -3.289) 7.124 3.019 ( -6.612 6.763 -1.308) 9.548 3.388 ( 4.449 7.488 9.916) 13.198 3.914 ( -4.698 -7.338 -1.271) 8.806 4.299 ( 1.801 6.194 2.918) 7.080 5.460 ( 4.622 -10.177 -5.020) 12.253 6.046 ( 6.414 11.718 5.069) 14.288 7.013 ( -11.118 -20.841 -0.570) 23.628 7.559 ( 2.580 4.878 -0.567) 5.547 7.756 ( -15.602 -6.525 -3.279) 17.227 8.409 ( -3.861 4.023 6.467) 8.539 8.654 ( 3.052 -8.033 -4.419) 9.663 8.965 ( 2.005 3.660 0.096) 4.174 9.467 ( -5.206 12.279 1.653) 13.439 9.948 ( 6.324 -4.685 -3.334) 8.547 10.287 ( 1.578 4.111 4.490) 6.289 11.632 ( -0.962 8.086 -2.029) 8.392 11.983 ( 2.719 -2.899 4.532) 6.028 12.805 ( 1.729 0.125 -0.923) 1.964 13.075 ( -2.511 3.057 -3.397) 5.214 13.835 ( 11.355 0.172 -9.600) 14.870 14.505 ( 0.243 -9.074 3.178) 9.617 15.974 ( 13.182 -8.759 -16.132) 22.600 17.314 ( -2.118 -1.157 -4.611) 5.205 18.451 ( -23.038 3.473 12.186) 26.293 19.089 ( 8.100 8.579 4.772) 12.727 20.352 ( 1.358 -1.370 1.049) 2.196 20.609 ( 1.305 1.718 5.039) 5.482 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -6.046 -9.413 -10.167) 15.118 2.528 ( 3.061 -4.662 1.700) 5.831 2.623 ( -2.533 0.499 -1.025) 2.778 2.982 ( -4.693 7.208 -1.152) 8.678 3.531 ( -3.060 5.189 9.517) 11.264 3.835 ( 5.289 -1.324 -0.028) 5.452 4.453 ( 3.920 8.027 4.729) 10.108 5.414 ( 3.235 -6.729 -6.285) 9.759 6.211 ( -4.511 13.948 3.563) 15.086 6.673 ( 0.810 -30.168 -1.430) 30.213 7.381 ( -14.560 -6.259 -3.798) 16.297 7.740 ( 11.441 -0.736 -2.597) 11.755 8.383 ( -0.383 -6.003 8.669) 10.552 8.681 ( 3.345 4.304 -4.259) 6.917 9.028 ( 0.350 6.862 -2.216) 7.219 9.473 ( -6.604 7.155 2.574) 10.071 9.961 ( 2.684 -5.196 -1.986) 6.176 10.331 ( -2.908 2.721 4.219) 5.802 11.607 ( -7.768 6.521 -3.132) 10.614 12.072 ( 5.221 0.152 7.015) 8.746 12.851 ( 2.243 2.906 -0.537) 3.710 13.059 ( 0.218 1.376 -2.187) 2.593 13.867 ( 0.114 -0.936 -12.966) 13.000 14.352 ( -10.785 -0.587 -4.242) 11.604 16.111 ( 25.820 -15.245 -15.882) 33.931 17.266 ( -1.885 0.933 2.700) 3.422 18.147 ( -20.763 -0.720 4.895) 21.344 19.335 ( 5.455 8.930 10.688) 14.958 20.384 ( 3.302 -2.239 2.252) 4.582 20.696 ( 1.481 5.135 7.021) 8.824 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -2.581 -15.782 -12.182) 20.103 2.444 ( -2.763 -13.778 3.709) 14.534 2.638 ( 0.212 3.843 -0.923) 3.958 3.015 ( -0.029 10.131 -0.830) 10.165 3.548 ( -2.982 3.978 5.558) 7.457 4.008 ( 7.954 5.004 5.311) 10.794 4.580 ( 0.667 7.164 1.793) 7.415 5.366 ( 0.969 -2.205 -7.590) 7.963 6.210 ( -7.697 7.499 2.455) 11.023 6.498 ( 11.556 -30.192 -0.893) 32.340 7.104 ( -8.989 -7.631 -2.734) 12.104 7.883 ( 9.901 -4.815 -3.487) 11.549 8.460 ( 11.279 -4.786 6.601) 13.918 8.754 ( 0.852 8.053 -2.643) 8.519 9.073 ( -0.874 8.990 -3.402) 9.652 9.420 ( -7.218 1.660 3.047) 8.008 9.912 ( -1.847 -6.536 1.544) 6.965 10.308 ( -5.358 3.154 3.281) 7.030 11.504 ( -9.206 4.632 -1.102) 10.364 12.197 ( 3.638 1.231 7.827) 8.719 12.905 ( 0.104 5.511 -3.452) 6.504 13.101 ( 3.536 2.531 1.807) 4.709 13.674 ( -13.501 -1.324 -8.158) 15.830 14.170 ( -7.780 5.420 -15.721) 18.359 16.223 ( 18.227 -19.136 -18.832) 32.451 17.325 ( 0.258 0.398 16.282) 16.289 17.888 ( -9.198 -1.518 -0.915) 9.367 19.516 ( 0.467 6.547 10.375) 12.277 20.431 ( 3.503 -3.292 3.079) 5.709 20.830 ( 2.204 9.154 6.961) 11.709 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 4.629 -17.127 -7.629) 19.312 2.279 ( 0.375 -19.009 0.649) 19.024 2.663 ( -2.329 5.236 0.686) 5.771 3.153 ( 3.805 12.214 0.942) 12.828 3.572 ( -2.337 3.906 3.220) 5.575 4.133 ( -1.342 0.157 5.478) 5.642 4.651 ( 0.476 8.956 -2.499) 9.310 5.329 ( 0.790 1.216 -8.077) 8.206 6.205 ( 3.851 -4.312 3.517) 6.767 6.424 ( 8.029 -19.442 -1.345) 21.077 6.956 ( 0.931 -7.665 -0.019) 7.721 7.912 ( 3.943 -8.854 -1.010) 9.745 8.601 ( 6.188 -6.783 -2.216) 9.445 8.818 ( -1.736 9.352 -0.656) 9.534 9.201 ( 3.214 10.619 -6.182) 12.701 9.332 ( 0.167 -0.223 6.571) 6.577 9.815 ( -4.085 -7.710 7.739) 11.663 10.278 ( -5.155 6.062 2.393) 8.309 11.412 ( -6.394 3.081 1.395) 7.233 12.294 ( 1.560 1.986 8.336) 8.710 12.899 ( -3.426 3.527 -2.467) 5.502 13.129 ( -10.083 1.721 -4.412) 11.140 13.507 ( 1.263 5.743 0.679) 5.920 14.003 ( -8.963 8.942 -20.062) 23.723 16.123 ( 6.243 -20.292 -19.011) 28.498 17.330 ( -10.212 -5.143 19.204) 22.350 17.924 ( 13.540 0.738 -0.497) 13.569 19.588 ( -4.284 4.472 9.370) 11.231 20.456 ( 1.485 -5.357 4.925) 7.427 21.003 ( 2.751 13.293 2.528) 13.808 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 11.470 -11.332 0.041) 16.124 2.139 ( 6.418 -19.856 -3.891) 21.227 2.669 ( -3.556 5.511 1.003) 6.634 3.315 ( -1.518 9.179 5.773) 10.949 3.593 ( 0.938 5.291 -1.259) 5.519 4.042 ( -8.522 -3.754 2.417) 9.621 4.721 ( -0.805 7.980 -2.776) 8.487 5.326 ( 3.416 0.711 -8.844) 9.508 6.284 ( 10.853 -9.401 3.634) 14.811 6.390 ( 5.975 -10.146 -0.978) 11.815 6.994 ( 9.647 -5.200 2.557) 11.254 7.846 ( 0.668 -12.055 -1.438) 12.159 8.525 ( -2.810 -6.177 -3.127) 7.472 8.867 ( -2.361 7.303 1.629) 7.846 9.053 ( -13.809 -1.472 0.258) 13.890 9.520 ( 1.237 0.948 -2.989) 3.371 9.873 ( 12.989 0.832 7.983) 15.269 10.309 ( -0.551 10.410 3.645) 11.044 11.393 ( -0.537 2.149 4.577) 5.085 12.397 ( 1.866 3.537 10.703) 11.425 12.840 ( -10.768 -1.301 -2.114) 11.051 12.868 ( -8.810 3.937 -6.820) 11.816 13.605 ( -5.458 3.741 -10.500) 12.412 13.947 ( 3.917 16.999 -4.090) 17.918 15.870 ( -0.046 -21.434 -16.827) 27.250 17.216 ( -8.370 -4.429 14.212) 17.078 18.171 ( 14.092 -1.780 2.229) 14.377 19.585 ( -6.975 4.011 9.019) 12.087 20.430 ( -1.841 -6.240 5.932) 8.804 21.173 ( 2.702 14.016 -3.413) 14.677 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 18.802 -8.041 -0.389) 20.453 2.453 ( 9.647 6.528 5.278) 12.788 2.646 ( 1.048 -4.789 -4.475) 6.638 3.075 ( -13.235 1.840 -2.429) 13.582 3.661 ( -5.876 -1.538 -0.278) 6.080 4.120 ( -2.057 13.232 -0.556) 13.402 4.636 ( -1.498 -6.799 -1.318) 7.086 5.173 ( 4.049 -4.706 1.898) 6.492 6.307 ( -10.919 1.507 -1.714) 11.155 6.495 ( 30.091 -9.002 -0.781) 31.418 7.151 ( 5.447 -6.348 -5.351) 9.930 7.767 ( 13.021 8.016 2.789) 15.543 8.471 ( 5.327 -1.260 4.227) 6.916 8.745 ( -6.818 5.267 -0.833) 8.656 8.942 ( -10.915 5.130 3.463) 12.547 9.428 ( -0.511 -1.095 2.001) 2.337 10.075 ( -2.752 5.188 -5.010) 7.719 10.475 ( 1.396 -8.659 -7.040) 11.247 11.505 ( -8.142 -3.124 -0.050) 8.721 12.513 ( -0.145 4.994 -10.223) 11.378 12.822 ( -6.631 1.526 -0.403) 6.817 12.982 ( -5.242 0.162 14.253) 15.187 13.299 ( 0.573 9.676 6.235) 11.525 13.918 ( -9.653 -20.569 -1.057) 22.746 15.750 ( 21.034 3.466 7.333) 22.544 17.507 ( -1.078 11.185 12.335) 16.686 18.024 ( 1.921 -7.849 -15.216) 17.228 19.693 ( -9.737 6.592 2.052) 11.936 20.265 ( -2.359 -0.668 6.712) 7.145 21.256 ( -3.864 -1.136 -10.475) 11.222 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 14.747 -4.626 2.129) 15.601 2.523 ( -3.963 3.894 0.189) 5.559 2.678 ( 6.500 -5.663 -3.873) 9.451 2.974 ( -1.675 9.048 -1.095) 9.267 3.547 ( -6.919 -1.029 -0.077) 6.995 4.164 ( -4.686 9.548 -1.537) 10.747 4.553 ( 0.177 -6.648 -0.906) 6.712 5.223 ( 5.870 -5.439 3.775) 8.848 6.074 ( -16.675 2.191 -1.326) 16.870 6.901 ( 21.966 -5.234 1.588) 22.637 7.259 ( 19.662 0.904 -7.508) 21.066 8.023 ( 8.946 5.125 1.167) 10.375 8.500 ( -4.425 -0.375 5.066) 6.737 8.785 ( -1.013 2.123 1.844) 2.989 8.856 ( -2.924 11.504 2.943) 12.230 9.430 ( 0.779 0.369 -2.314) 2.470 10.029 ( -4.349 2.922 -3.858) 6.506 10.324 ( -4.139 -12.277 -5.350) 14.017 11.334 ( -8.682 -1.383 -1.656) 8.946 12.404 ( -9.032 4.746 -9.727) 14.096 12.804 ( 0.050 1.199 2.887) 3.127 12.978 ( 0.318 -6.341 9.302) 11.262 13.436 ( 2.383 1.177 1.827) 3.226 13.637 ( -4.504 -11.145 6.196) 13.524 16.123 ( 17.694 -2.290 10.498) 20.701 17.585 ( -4.645 -3.074 9.643) 11.137 17.981 ( 5.571 10.881 -17.587) 21.418 19.588 ( -8.920 3.595 -2.663) 9.979 20.300 ( -2.140 6.340 8.952) 11.176 21.079 ( -6.654 -6.919 -9.294) 13.361 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 1.510 -4.473 3.013) 5.600 2.570 ( 6.878 2.866 -0.764) 7.490 2.694 ( 4.650 -0.628 -3.130) 5.641 3.090 ( 2.008 8.592 0.601) 8.844 3.423 ( -7.419 -0.394 -0.563) 7.450 4.124 ( -5.541 2.759 -2.746) 6.772 4.531 ( 2.717 -3.227 0.588) 4.259 5.297 ( 6.454 -4.040 3.466) 8.366 5.824 ( -15.443 1.204 -1.379) 15.551 7.085 ( 7.933 -0.239 -0.563) 7.956 7.686 ( 27.338 7.224 -3.044) 28.439 8.144 ( 4.437 -1.363 -0.191) 4.645 8.416 ( -7.996 -1.766 3.942) 9.088 8.706 ( -5.835 0.658 2.546) 6.401 9.110 ( 9.119 16.474 2.776) 19.033 9.404 ( -1.136 -3.862 -4.450) 6.001 9.942 ( -5.416 -1.762 -5.230) 7.732 10.095 ( -7.952 -7.123 0.899) 10.713 11.225 ( -3.418 1.657 -0.893) 3.902 12.263 ( -8.106 3.251 -5.079) 10.103 12.845 ( 2.510 -1.020 3.280) 4.254 12.979 ( 5.284 -8.796 2.050) 10.463 13.366 ( -6.257 0.562 1.028) 6.366 13.691 ( 9.535 -5.403 5.457) 12.243 16.357 ( 9.010 -6.780 9.309) 14.622 17.453 ( -3.432 -9.454 -4.237) 10.914 18.172 ( 6.265 18.669 -2.772) 19.886 19.455 ( -7.708 0.901 -4.655) 9.049 20.399 ( -2.205 11.257 8.494) 14.273 20.826 ( -8.183 -10.890 -7.799) 15.696 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.534 -2.252 0.669) 2.410 2.731 ( 8.464 2.662 3.416) 9.508 2.774 ( 4.995 1.207 -3.366) 6.142 3.146 ( -0.952 0.828 1.603) 2.040 3.306 ( -7.634 2.776 -1.872) 8.336 4.053 ( -4.156 3.099 -0.097) 5.185 4.537 ( 0.518 -4.912 -0.259) 4.946 5.394 ( 4.230 0.863 1.299) 4.509 5.621 ( -6.862 -0.142 -0.817) 6.912 7.188 ( 5.037 0.266 -0.507) 5.069 8.021 ( -4.042 6.000 0.882) 7.289 8.218 ( 12.568 -1.439 -1.702) 12.764 8.303 ( -1.098 -1.913 1.992) 2.972 8.644 ( -0.113 -4.490 -1.941) 4.893 9.210 ( -11.985 -12.056 0.183) 17.000 9.415 ( 5.810 16.329 4.880) 18.006 9.792 ( -4.818 0.372 -5.604) 7.399 10.041 ( 1.429 1.697 1.934) 2.943 11.258 ( 4.415 4.115 -0.109) 6.036 12.142 ( -7.346 0.545 -0.163) 7.368 12.850 ( -0.417 -2.201 -2.151) 3.106 13.082 ( 13.749 -4.471 1.957) 14.590 13.313 ( -5.640 7.101 0.011) 9.069 13.828 ( 14.962 -10.392 0.117) 18.217 16.358 ( -4.393 -8.333 2.081) 9.647 17.324 ( 1.480 -7.622 -5.227) 9.360 18.457 ( 7.668 16.057 6.815) 19.054 19.299 ( -8.930 -1.298 -4.600) 10.128 20.514 ( -5.016 14.227 6.719) 16.514 20.561 ( -4.347 -13.012 -5.722) 14.864 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 4.112 -0.155 -0.643) 4.165 2.774 ( -1.387 -2.878 -3.879) 5.025 2.874 ( 0.412 1.683 1.345) 2.194 3.161 ( 5.259 -1.612 4.044) 6.827 3.227 ( -5.850 6.653 -0.956) 8.911 4.060 ( -3.092 6.394 3.691) 8.004 4.420 ( -6.153 -7.370 -1.857) 9.779 5.350 ( -1.502 -6.178 -5.068) 8.131 5.737 ( 9.956 10.566 4.707) 15.262 7.208 ( 0.431 -8.115 -0.519) 8.143 7.813 ( -15.481 -3.915 -0.093) 15.969 8.223 ( -7.700 -2.766 -2.610) 8.588 8.387 ( 4.839 1.329 -3.361) 6.040 8.695 ( 7.708 -1.028 1.113) 7.856 8.892 ( -10.108 -12.861 5.240) 17.176 9.630 ( -0.672 14.059 6.415) 15.468 9.749 ( 0.722 4.038 -7.715) 8.737 10.149 ( 5.903 4.642 2.255) 7.840 11.419 ( 10.051 4.044 0.170) 10.835 12.049 ( -6.093 1.045 3.831) 7.273 12.804 ( -1.257 -0.576 -3.038) 3.338 13.221 ( -1.240 2.965 -1.146) 3.412 13.373 ( 11.511 5.038 -5.441) 13.693 13.993 ( 20.805 -13.468 -2.296) 24.890 16.122 ( -12.562 -8.073 -5.775) 16.010 17.294 ( 3.355 -4.878 -1.452) 6.096 18.773 ( 9.902 10.985 9.800) 17.742 19.086 ( -13.718 -2.375 -0.221) 13.924 20.358 ( -2.789 -9.492 -1.926) 10.078 20.624 ( -2.616 12.356 4.251) 13.326 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 6.830 -0.064 -1.563) 7.007 2.666 ( -5.862 -4.149 -3.862) 8.155 2.758 ( -6.913 -3.549 -5.948) 9.786 3.210 ( -6.745 8.403 1.883) 10.938 3.363 ( 12.068 3.242 7.285) 14.464 3.988 ( -11.894 -3.546 1.737) 12.532 4.340 ( 1.793 4.326 1.943) 5.070 5.266 ( 3.480 -8.492 -5.370) 10.633 6.053 ( 10.257 13.409 5.304) 17.696 6.982 ( -10.393 -22.102 -2.426) 24.544 7.591 ( -5.967 -2.343 -3.016) 7.084 7.941 ( -16.093 -7.534 -3.188) 18.053 8.496 ( 6.088 -3.068 -4.106) 7.958 8.570 ( -9.040 -2.129 8.461) 12.563 8.931 ( 6.520 2.779 1.180) 7.185 9.728 ( -4.788 9.368 6.740) 12.495 9.778 ( 3.312 3.720 -8.243) 9.631 10.302 ( 4.799 5.418 2.593) 7.688 11.610 ( 9.648 1.244 0.238) 9.730 12.020 ( -4.532 4.918 5.614) 8.732 12.780 ( 0.504 -0.012 -1.100) 1.209 13.172 ( -6.328 5.706 -3.613) 9.255 13.581 ( 13.965 4.605 -14.717) 20.805 14.213 ( 21.860 -12.704 -0.259) 25.285 15.808 ( -9.933 -8.618 -10.019) 16.533 17.299 ( 1.062 -1.792 0.561) 2.158 18.780 ( -12.768 -6.224 -7.168) 15.910 19.115 ( 5.155 10.367 21.899) 24.771 20.275 ( 2.309 -8.272 1.787) 8.772 20.713 ( -2.982 12.287 3.365) 13.084 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 0.870 -9.697 -6.274) 11.583 2.415 ( -6.755 -5.379 -9.911) 13.145 2.668 ( -1.955 1.326 -0.727) 2.471 3.175 ( -8.132 7.811 3.903) 11.932 3.631 ( 10.433 5.097 7.847) 14.014 3.769 ( -8.095 -4.444 0.873) 9.276 4.493 ( 4.790 9.175 4.345) 11.225 5.241 ( 5.601 -6.857 -5.107) 10.222 6.292 ( 4.207 -0.878 4.104) 5.942 6.554 ( -12.461 -15.657 -3.978) 20.401 7.503 ( -3.273 -4.948 -6.922) 9.116 7.618 ( -9.254 -6.365 -0.586) 11.247 8.362 ( -2.161 -12.780 5.654) 14.140 8.682 ( 2.831 10.113 1.064) 10.555 9.042 ( 3.407 5.112 -1.387) 6.298 9.722 ( -11.339 11.442 2.569) 16.312 9.820 ( 6.782 -5.210 -3.667) 9.305 10.405 ( 0.318 4.315 2.712) 5.106 11.728 ( 2.024 3.004 -1.039) 3.768 12.051 ( -0.612 3.493 7.765) 8.537 12.820 ( 3.781 1.377 1.140) 4.182 13.110 ( -4.676 5.378 -3.753) 8.054 13.719 ( 9.023 7.209 -20.798) 23.790 14.375 ( 7.155 -7.763 0.984) 10.603 15.600 ( 6.265 -12.853 -13.251) 19.494 17.306 ( -0.340 1.075 2.812) 3.029 18.454 ( -17.620 -5.562 -2.165) 18.604 19.403 ( 5.587 7.344 18.989) 21.112 20.285 ( 5.237 -7.672 4.764) 10.439 20.802 ( -1.796 11.550 4.011) 12.358 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -9.976 -14.443 -16.211) 23.894 2.309 ( -0.084 -18.797 -3.074) 19.047 2.685 ( -0.156 5.847 0.669) 5.887 3.180 ( -5.008 11.214 4.871) 13.212 3.649 ( -4.290 -0.626 4.655) 6.361 3.908 ( 12.840 3.395 3.551) 13.748 4.658 ( 1.471 9.617 2.800) 10.124 5.250 ( 5.066 -3.603 -5.614) 8.376 6.046 ( -1.721 -32.260 -2.861) 32.433 6.484 ( -5.089 10.258 2.669) 11.758 7.218 ( -15.251 -6.350 -2.298) 16.680 7.628 ( 11.612 -5.423 -6.023) 14.161 8.311 ( 4.559 -9.448 6.619) 12.404 8.805 ( 1.199 8.768 1.300) 8.945 9.129 ( 1.638 7.820 -3.441) 8.699 9.617 ( -12.074 5.588 -0.190) 13.306 9.845 ( 3.784 -6.881 1.290) 7.958 10.426 ( -3.493 3.596 2.529) 5.616 11.702 ( -8.449 5.266 -1.041) 10.010 12.162 ( 5.582 -0.374 10.094) 11.540 12.923 ( 3.741 6.245 -1.213) 7.380 13.100 ( -0.022 4.659 0.167) 4.662 13.752 ( -0.902 8.427 -18.596) 20.436 14.283 ( -9.717 -1.112 -5.137) 11.048 15.621 ( 21.004 -17.715 -14.507) 31.071 17.366 ( 2.958 2.602 7.489) 8.462 18.103 ( -18.702 -5.667 -0.065) 19.542 19.625 ( 2.263 5.527 15.825) 16.915 20.334 ( 5.468 -6.836 4.780) 9.974 20.925 ( 1.112 10.472 6.171) 12.206 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -1.413 -18.643 -13.571) 23.102 2.071 ( -0.659 -26.814 0.158) 26.822 2.756 ( -0.274 7.909 0.827) 7.957 3.267 ( -0.876 13.610 2.590) 13.882 3.628 ( -0.675 -1.995 2.928) 3.607 4.115 ( 7.023 -0.719 2.888) 7.628 4.738 ( -1.995 10.205 -2.175) 10.623 5.263 ( 2.979 -0.555 -6.637) 7.296 5.795 ( 7.177 -29.237 -0.380) 30.107 6.500 ( -4.278 7.255 3.432) 9.095 6.955 ( -8.579 -6.152 0.497) 10.568 7.714 ( 9.138 -8.485 -4.489) 13.253 8.391 ( 9.780 -5.798 -0.098) 11.370 8.918 ( 1.732 9.708 2.009) 10.064 9.205 ( 1.758 9.488 -3.381) 10.225 9.456 ( -10.523 -0.281 -0.185) 10.528 9.823 ( -0.554 -8.567 7.174) 11.188 10.414 ( -3.878 5.234 2.066) 6.834 11.581 ( -10.262 2.586 1.218) 10.653 12.307 ( 4.994 0.992 10.319) 11.507 12.989 ( -2.370 8.271 -2.987) 9.108 13.212 ( 3.264 6.026 1.645) 7.048 13.620 ( -10.979 4.078 -6.789) 13.537 14.099 ( -7.398 7.939 -17.141) 20.287 15.672 ( 14.921 -19.254 -14.995) 28.605 17.512 ( 0.588 -1.434 17.522) 17.590 17.812 ( -5.984 -2.977 -3.568) 7.576 19.749 ( -2.462 4.287 13.100) 14.002 20.376 ( 4.295 -6.103 2.869) 7.996 21.092 ( 2.919 10.486 6.136) 12.495 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 14.164 -15.326 -5.752) 21.647 1.841 ( 3.679 -27.745 1.571) 28.032 2.804 ( -3.782 7.330 1.321) 8.353 3.441 ( 4.354 15.040 1.761) 15.756 3.598 ( -0.821 -4.243 0.480) 4.349 4.102 ( -3.781 -6.720 -1.539) 7.863 4.796 ( -0.891 9.461 -2.909) 9.938 5.253 ( 0.826 -0.187 -6.956) 7.008 5.724 ( 14.972 -24.564 -0.220) 28.768 6.532 ( -2.665 6.380 4.042) 8.009 6.878 ( 2.754 -2.179 4.184) 5.462 7.691 ( 2.948 -13.307 -2.366) 13.833 8.429 ( 3.431 -6.205 -5.420) 8.925 9.020 ( -3.956 11.852 1.342) 12.566 9.249 ( -10.570 1.807 -3.328) 11.228 9.418 ( 11.404 5.170 -1.555) 12.617 9.780 ( 1.288 -9.264 12.734) 15.800 10.437 ( -2.158 7.454 2.531) 8.163 11.476 ( -5.363 0.575 4.217) 6.847 12.460 ( 3.259 5.057 10.349) 11.971 12.994 ( -5.239 8.366 0.264) 9.874 13.081 ( -18.651 0.077 -5.343) 19.402 13.613 ( 2.906 3.659 -2.524) 5.311 14.033 ( -1.218 17.039 -14.781) 22.590 15.552 ( 4.280 -20.910 -14.425) 25.761 17.410 ( -11.898 -5.926 14.442) 19.628 17.945 ( 14.833 0.160 2.265) 15.006 19.786 ( -5.876 4.174 11.545) 13.610 20.386 ( 2.367 -6.504 2.353) 7.311 21.252 ( 1.537 11.272 0.480) 11.387 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 20.491 -6.744 3.905) 21.923 2.104 ( 25.464 -9.268 -2.946) 27.258 2.751 ( -7.914 3.544 1.114) 8.742 3.304 ( -12.030 3.477 -1.466) 12.608 3.682 ( 0.643 -3.039 -3.086) 4.379 4.148 ( 8.321 3.994 -1.403) 9.336 4.681 ( -9.250 -0.236 4.572) 10.321 5.164 ( -1.132 0.702 4.699) 4.884 5.832 ( 29.616 -7.721 -4.461) 30.929 6.542 ( -8.578 1.017 -1.160) 8.716 7.001 ( 1.111 -7.721 -5.032) 9.283 7.637 ( 14.018 6.365 4.445) 16.025 8.356 ( 8.600 -0.737 3.665) 9.377 8.954 ( -11.533 5.958 -1.967) 13.130 9.154 ( -7.597 6.003 2.473) 9.993 9.419 ( -0.753 -6.001 3.610) 7.043 10.003 ( 7.876 -1.089 -12.908) 15.160 10.443 ( -6.069 -1.335 -1.383) 6.366 11.584 ( -5.604 -4.862 1.356) 7.542 12.472 ( 0.947 4.640 -8.244) 9.508 12.973 ( -9.548 3.709 -1.768) 10.395 13.175 ( -8.431 0.022 7.906) 11.558 13.499 ( -6.836 9.617 5.256) 12.917 13.909 ( -10.539 -14.578 4.605) 18.569 15.475 ( 21.468 1.157 8.328) 23.056 17.664 ( 1.531 11.246 7.694) 13.712 17.829 ( 1.157 -11.149 -13.704) 17.705 19.888 ( -9.353 2.523 -3.155) 10.188 20.319 ( 1.884 0.773 8.419) 8.662 21.260 ( -4.637 1.341 -11.339) 12.323 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 19.445 -0.195 3.599) 19.776 2.340 ( 18.841 -11.725 -5.679) 22.906 2.661 ( -7.077 2.577 0.885) 7.583 3.170 ( -10.101 10.877 -1.121) 14.886 3.616 ( -3.922 -2.385 -1.575) 4.853 4.215 ( 1.462 -2.883 -4.269) 5.355 4.589 ( -7.259 3.244 4.650) 9.211 5.197 ( 0.140 0.467 7.294) 7.310 6.279 ( 16.692 0.763 -5.137) 17.481 6.399 ( 7.622 -2.525 1.843) 8.238 7.006 ( 8.524 -1.595 -5.721) 10.389 7.890 ( 11.316 0.576 1.603) 11.443 8.523 ( 6.785 -0.439 6.196) 9.199 8.827 ( -7.184 4.301 -1.099) 8.445 9.100 ( -8.785 5.653 5.564) 11.836 9.400 ( 1.296 0.189 -2.186) 2.548 10.001 ( 3.979 -3.223 -12.914) 13.892 10.311 ( -7.664 -1.988 -1.429) 8.045 11.440 ( -6.916 -2.085 -1.905) 7.470 12.462 ( -1.512 3.440 -11.648) 12.240 12.855 ( -5.386 0.055 2.327) 5.868 13.022 ( -8.712 -11.700 9.084) 17.184 13.521 ( -3.425 7.105 -0.611) 7.911 13.716 ( -9.391 -2.562 12.592) 15.916 15.852 ( 20.074 -4.812 12.722) 24.248 17.575 ( -3.188 -14.364 -5.990) 15.886 17.938 ( 7.696 17.446 -5.996) 19.989 19.720 ( -9.042 -0.624 -6.053) 10.899 20.422 ( 1.432 4.716 8.248) 9.608 21.105 ( -8.245 -0.824 -8.052) 11.554 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 11.313 -0.210 2.561) 11.601 2.453 ( 10.877 -4.321 -2.743) 12.021 2.602 ( -0.678 -1.192 -0.125) 1.377 3.173 ( -2.609 9.660 -1.795) 10.166 3.518 ( -5.200 -0.227 -1.168) 5.334 4.134 ( -0.779 -6.980 -4.904) 8.566 4.552 ( -4.965 3.313 4.217) 7.308 5.264 ( 1.861 2.775 7.158) 7.899 6.094 ( -17.072 2.170 -3.761) 17.615 6.860 ( 23.471 -0.436 1.100) 23.501 7.231 ( 25.834 3.410 -4.204) 26.395 8.024 ( 6.991 -3.720 -0.022) 7.920 8.538 ( -4.873 -3.222 5.162) 7.796 8.790 ( -4.053 -0.610 -2.811) 4.970 9.101 ( 4.332 -0.863 5.912) 7.380 9.430 ( -1.669 7.896 -0.602) 8.092 9.944 ( -0.110 -0.098 -11.123) 11.124 10.157 ( -8.007 -1.317 -1.273) 8.214 11.325 ( -6.079 2.365 -1.855) 6.781 12.375 ( -5.152 4.212 -9.105) 11.277 12.825 ( 0.403 -2.739 1.205) 3.020 12.855 ( -1.892 -12.788 7.818) 15.107 13.488 ( -5.318 -1.166 6.696) 8.630 13.683 ( -4.875 6.964 3.069) 9.038 16.151 ( 15.481 -9.384 14.244) 23.035 17.363 ( -2.452 -11.219 -10.558) 15.600 18.196 ( 8.307 15.339 -2.070) 17.566 19.538 ( -7.521 -2.400 -5.856) 9.829 20.517 ( 1.622 1.630 2.352) 3.290 20.911 ( -12.144 2.541 -1.779) 12.533 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 0.824 -0.262 0.299) 0.915 2.608 ( 7.623 -0.667 1.459) 7.790 2.653 ( 9.672 0.630 -0.572) 9.709 3.167 ( -2.008 -2.006 -0.803) 2.949 3.439 ( -6.366 4.276 -3.335) 8.363 4.070 ( 2.674 -3.296 -2.256) 4.807 4.520 ( -3.886 -0.760 3.536) 5.309 5.401 ( 4.168 8.475 5.765) 11.065 5.799 ( -16.859 -0.757 -4.906) 17.575 7.090 ( 7.914 2.084 -1.610) 8.341 7.753 ( 32.403 -0.109 -0.668) 32.410 8.056 ( 1.974 -3.894 1.358) 4.572 8.438 ( -7.171 -1.867 3.102) 8.033 8.628 ( -6.649 -6.072 -5.681) 10.647 9.162 ( 3.620 -12.622 -0.461) 13.139 9.486 ( 0.675 1.834 8.523) 8.744 9.913 ( -3.507 13.667 -6.984) 15.744 10.059 ( -3.467 3.906 -1.994) 5.590 11.282 ( -2.177 5.380 -1.931) 6.117 12.287 ( -7.144 3.700 -0.517) 8.061 12.806 ( 2.974 -2.288 -4.647) 5.973 12.858 ( 7.154 -6.884 5.822) 11.510 13.440 ( -2.243 -3.559 7.255) 8.387 13.678 ( -3.420 6.537 -4.902) 8.857 16.297 ( 5.110 -11.783 10.374) 16.510 17.198 ( 0.588 -8.020 -7.667) 11.111 18.456 ( 9.488 10.982 0.724) 14.531 19.376 ( -6.268 -3.479 -3.211) 7.855 20.469 ( -1.928 -9.064 -6.401) 11.263 20.821 ( -9.996 14.160 6.938) 18.670 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -0.149 2.058 -0.871) 2.239 2.695 ( 5.862 -5.497 -2.077) 8.300 2.814 ( 7.158 2.058 0.395) 7.458 3.107 ( -0.349 -5.535 1.475) 5.739 3.358 ( -5.081 5.258 -2.407) 7.697 4.134 ( 5.083 2.918 0.650) 5.897 4.437 ( -6.662 -4.043 3.246) 8.442 5.423 ( -13.677 0.231 -6.190) 15.015 5.710 ( 8.568 10.283 4.521) 14.128 7.139 ( -0.222 -4.572 -2.392) 5.165 7.881 ( -3.327 -16.620 -0.634) 16.962 8.200 ( 7.525 -1.351 -3.102) 8.250 8.347 ( -3.396 1.018 1.286) 3.771 8.535 ( 8.690 0.640 -2.306) 9.014 8.978 ( -9.093 -13.155 2.549) 16.194 9.552 ( 5.610 -7.914 4.719) 10.788 9.998 ( -3.214 18.965 -1.707) 19.311 10.109 ( 1.794 10.217 -0.951) 10.417 11.332 ( 3.812 4.726 -2.085) 6.420 12.222 ( -7.425 4.288 7.425) 11.343 12.800 ( -0.075 -0.043 -2.655) 2.656 13.011 ( 15.098 -1.646 -4.768) 15.918 13.446 ( 0.358 2.280 1.828) 2.944 13.646 ( 1.958 -0.880 -7.935) 8.220 16.192 ( -7.951 -11.812 1.355) 14.303 17.173 ( 5.625 -5.593 1.530) 8.079 18.681 ( 9.379 3.090 -2.371) 10.155 19.252 ( -5.738 -1.860 5.904) 8.440 20.301 ( -3.277 -8.190 -4.581) 9.940 20.872 ( -6.835 15.727 5.980) 18.161 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 2.364 -0.588 -3.425) 4.203 2.669 ( -0.349 -4.534 -2.056) 4.991 2.795 ( -6.770 -4.375 -7.532) 11.032 3.170 ( 12.489 -3.833 3.982) 13.657 3.379 ( -1.922 8.951 2.349) 9.452 4.223 ( -11.307 5.205 3.658) 12.974 4.310 ( 3.700 -2.156 2.204) 4.816 5.191 ( -6.214 -4.045 -5.977) 9.524 6.035 ( 11.557 14.252 4.968) 19.010 6.933 ( -10.231 -18.787 -3.832) 21.732 7.615 ( -7.466 -12.365 -5.849) 15.584 8.055 ( -9.018 -9.775 -2.536) 13.539 8.378 ( 2.795 -1.689 -0.628) 3.326 8.731 ( -4.748 0.469 5.848) 7.548 8.825 ( 9.214 1.259 2.141) 9.543 9.579 ( 6.055 -7.958 -0.069) 10.000 10.087 ( -9.058 20.001 -0.290) 21.958 10.256 ( 7.229 5.744 0.156) 9.234 11.447 ( 8.182 0.015 -0.418) 8.192 12.224 ( -6.085 8.417 10.029) 14.438 12.774 ( -0.784 -1.657 0.155) 1.839 13.197 ( 11.175 4.709 -13.853) 18.411 13.462 ( -5.067 13.647 -9.700) 17.493 13.726 ( 20.595 -12.066 -1.547) 23.920 15.896 ( -14.044 -11.020 -3.073) 18.114 17.250 ( 4.984 -2.637 6.130) 8.329 18.708 ( 1.725 -8.463 -11.073) 14.043 19.294 ( 0.335 4.227 20.498) 20.932 20.192 ( -0.329 -5.721 -0.802) 5.786 20.941 ( -6.073 15.275 4.150) 16.954 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 3.050 -10.512 -9.503) 14.495 2.479 ( -13.052 -7.388 -9.786) 17.908 2.687 ( 0.788 1.411 -1.435) 2.161 3.321 ( 4.050 -3.438 6.673) 8.530 3.497 ( 6.355 10.176 0.165) 11.998 3.993 ( -17.456 -0.563 5.194) 18.222 4.487 ( 8.906 6.319 3.673) 11.521 5.101 ( 1.828 -3.657 -2.505) 4.795 6.258 ( -3.490 -6.555 2.414) 7.809 6.557 ( -3.727 -8.596 -5.140) 10.687 7.401 ( -1.477 -8.528 -9.156) 12.600 7.786 ( -13.647 -7.772 -0.009) 15.705 8.307 ( -2.979 -11.236 3.892) 12.258 8.773 ( 1.043 10.200 4.870) 11.351 9.005 ( 5.925 4.121 0.458) 7.231 9.615 ( 8.324 -7.578 -2.076) 11.447 10.052 ( -13.958 13.510 -1.197) 19.462 10.417 ( 5.462 4.971 0.428) 7.398 11.582 ( 10.591 -3.693 1.249) 11.286 12.262 ( -7.789 10.190 8.854) 15.585 12.782 ( 2.970 0.265 1.631) 3.398 13.240 ( -4.813 8.204 -7.452) 12.083 13.521 ( 8.896 13.203 -22.457) 27.527 13.999 ( 24.433 -10.412 0.672) 26.567 15.543 ( -14.024 -11.169 -4.508) 18.487 17.331 ( 1.664 0.935 6.174) 6.462 18.525 ( -4.879 -10.513 -9.205) 14.801 19.501 ( 4.030 3.271 23.628) 24.192 20.171 ( 3.025 -5.383 2.753) 6.761 21.006 ( -5.500 14.446 3.364) 15.819 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -7.122 -17.401 -16.998) 25.346 2.134 ( -7.529 -15.262 -11.527) 20.555 2.737 ( 0.932 4.128 2.268) 4.802 3.370 ( -2.380 4.385 7.789) 9.250 3.721 ( 8.988 4.497 -1.109) 10.111 3.760 ( -7.418 -6.265 5.957) 11.391 4.709 ( 6.450 8.889 3.859) 11.641 5.125 ( 4.153 -1.217 -0.393) 4.346 5.869 ( -10.915 -24.404 -5.545) 27.302 6.607 ( 0.124 4.779 0.550) 4.813 7.329 ( 4.469 -2.288 -10.310) 11.468 7.482 ( -14.289 -7.645 0.357) 16.210 8.210 ( 0.777 -11.024 7.132) 13.153 8.905 ( -0.969 9.532 4.765) 10.700 9.126 ( 4.896 7.011 -2.138) 8.815 9.670 ( 7.831 -6.915 -3.056) 10.885 9.896 ( -14.839 5.580 -1.078) 15.890 10.505 ( -0.107 4.172 1.255) 4.358 11.711 ( 8.127 -3.309 -0.693) 8.802 12.268 ( -7.465 8.225 10.221) 15.095 12.894 ( 5.869 5.772 1.329) 8.339 13.194 ( -4.811 7.329 -2.170) 9.031 13.670 ( 8.440 14.494 -23.382) 28.776 14.240 ( 12.816 -7.068 -0.086) 14.636 15.242 ( -3.296 -13.541 -6.210) 15.257 17.396 ( 0.732 3.421 4.918) 6.035 18.275 ( -10.544 -8.793 -4.919) 14.584 19.716 ( 3.704 1.117 22.492) 22.822 20.207 ( 5.128 -6.287 4.777) 9.416 21.077 ( -3.414 12.530 4.176) 13.642 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -11.249 -18.378 -19.801) 29.264 1.823 ( -1.672 -27.763 -4.893) 28.240 2.797 ( 1.894 0.973 1.401) 2.549 3.368 ( -1.407 -6.374 2.289) 6.917 3.633 ( -2.880 0.335 6.379) 7.007 3.964 ( 11.500 2.648 -0.385) 11.808 4.858 ( -0.774 10.345 -0.535) 10.388 5.185 ( 3.121 1.077 -0.187) 3.307 5.547 ( -1.921 -16.432 -3.689) 16.950 6.605 ( -2.293 0.190 1.768) 2.901 7.128 ( -16.897 -2.672 0.630) 17.118 7.434 ( 11.771 -6.506 -8.245) 15.775 8.216 ( 5.942 -6.747 3.949) 9.820 8.985 ( 0.299 5.902 5.683) 8.199 9.260 ( 2.228 11.115 -3.133) 11.761 9.614 ( -8.870 -0.921 -7.732) 11.803 9.768 ( 0.060 -6.870 7.084) 9.869 10.522 ( -2.804 4.117 1.715) 5.268 11.723 ( -3.214 -1.161 -2.682) 4.345 12.336 ( 0.050 6.189 13.101) 14.489 13.056 ( 3.915 10.452 -2.411) 11.419 13.226 ( 1.385 5.955 3.494) 7.041 13.744 ( -1.687 10.753 -16.588) 19.840 14.213 ( -8.045 0.926 -5.308) 9.683 15.176 ( 15.259 -16.513 -7.900) 23.831 17.501 ( 5.594 3.583 5.418) 8.572 17.974 ( -15.601 -7.405 -0.540) 17.278 19.879 ( 0.654 0.758 19.075) 19.101 20.257 ( 5.044 -6.160 3.310) 8.622 21.185 ( 0.657 9.598 6.267) 11.482 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 6.144 -19.810 -11.083) 23.516 1.534 ( 1.725 -32.141 3.053) 32.332 2.826 ( 7.129 -8.188 -3.869) 11.526 3.304 ( 5.990 -13.093 -0.460) 14.406 3.684 ( -3.062 10.701 5.155) 12.267 4.070 ( 0.195 -0.923 -2.845) 2.997 4.899 ( -2.711 10.728 -3.690) 11.664 5.227 ( 0.252 2.673 -1.893) 3.285 5.435 ( 3.271 -10.820 -0.317) 11.308 6.592 ( -0.095 -1.123 2.177) 2.452 6.927 ( -6.555 -0.328 5.618) 8.640 7.477 ( 7.283 -11.502 -4.457) 14.325 8.277 ( 5.730 -2.730 -5.282) 8.258 9.137 ( 6.134 8.581 6.097) 12.183 9.352 ( -0.209 10.651 -3.225) 11.130 9.398 ( -10.114 -2.240 -5.373) 11.669 9.751 ( 0.427 -10.989 11.544) 15.944 10.536 ( -1.621 5.009 1.925) 5.606 11.602 ( -7.532 -0.873 0.269) 7.587 12.513 ( 3.990 8.463 11.106) 14.522 13.152 ( -2.545 9.951 2.027) 10.469 13.312 ( -6.221 4.641 -2.009) 8.017 13.619 ( -6.035 -0.028 -2.493) 6.529 14.123 ( -2.606 14.559 -14.199) 20.503 15.194 ( 9.730 -17.711 -9.747) 22.435 17.635 ( -10.962 -5.960 14.097) 18.826 17.747 ( 8.940 1.419 -2.551) 9.404 19.964 ( -3.236 1.905 15.305) 15.759 20.284 ( 3.775 -5.011 -0.575) 6.300 21.326 ( 1.911 7.904 4.267) 9.183 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.000 0.000 26.161) 26.161 0.874 ( 0.000 0.000 26.161) 26.161 1.964 ( 0.000 -0.000 53.967) 53.967 3.274 ( -0.000 0.000 -3.018) 3.018 3.978 ( -0.000 0.000 -11.403) 11.403 3.978 ( -0.000 -0.000 -11.403) 11.403 5.097 ( 0.000 0.000 -0.844) 0.844 5.097 ( -0.000 -0.000 -0.844) 0.844 6.361 ( -0.000 0.000 -5.026) 5.026 7.019 ( 0.000 0.000 1.696) 1.696 7.019 ( 0.000 0.000 1.696) 1.696 7.020 ( -0.000 0.000 -10.221) 10.221 8.354 ( 0.000 0.000 7.493) 7.493 8.354 ( 0.000 -0.000 7.493) 7.493 9.448 ( 0.000 0.000 3.764) 3.764 9.448 ( 0.000 0.000 3.764) 3.764 9.803 ( 0.000 -0.000 3.802) 3.802 10.641 ( -0.000 0.000 -6.408) 6.408 11.374 ( -0.000 0.000 -12.557) 12.557 11.374 ( -0.000 0.000 -12.557) 12.557 13.462 ( 0.000 -0.000 2.489) 2.489 13.602 ( 0.000 0.000 2.532) 2.532 13.602 ( 0.000 0.000 2.532) 2.532 14.780 ( 0.000 0.000 13.326) 13.326 14.780 ( 0.000 -0.000 13.326) 13.326 17.404 ( 0.000 -0.000 1.389) 1.389 17.562 ( -0.000 0.000 -7.058) 7.058 17.562 ( -0.000 0.000 -7.058) 7.058 20.249 ( -0.000 0.000 -1.784) 1.784 21.702 ( 0.000 -0.000 1.371) 1.371 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -2.990 25.949 19.749) 32.746 1.472 ( 23.112 6.329 24.356) 34.168 2.433 ( 20.348 5.967 40.461) 45.681 3.194 ( -4.146 -1.141 1.190) 4.461 3.737 ( -6.669 -6.740 -14.410) 17.250 4.040 ( 4.831 -0.154 -9.779) 10.908 4.961 ( -6.899 -7.485 -1.579) 10.301 5.234 ( 5.335 8.612 -2.441) 10.421 6.253 ( -29.547 -23.853 9.528) 39.150 6.367 ( 0.926 1.209 -3.621) 3.928 6.992 ( -6.878 12.215 2.241) 14.197 7.250 ( 8.678 1.642 4.349) 9.845 8.375 ( 4.165 -13.873 5.590) 15.526 8.811 ( 17.782 16.554 -10.485) 26.460 9.464 ( -0.685 0.356 2.465) 2.583 9.492 ( -2.920 2.590 3.492) 5.237 9.801 ( -2.528 4.736 5.438) 7.641 10.556 ( -3.127 0.543 -5.040) 5.956 11.211 ( -0.817 -6.795 -13.476) 15.114 11.835 ( 29.961 21.712 -24.876) 44.585 13.414 ( -11.592 -6.380 2.048) 13.389 13.459 ( -1.591 -3.624 3.285) 5.144 13.704 ( 0.247 3.912 3.782) 5.447 14.838 ( 5.073 2.548 12.395) 13.633 15.026 ( 10.635 -2.974 17.581) 20.761 17.134 ( -14.745 -2.075 -13.118) 19.845 17.643 ( 2.120 13.331 -6.070) 14.800 18.053 ( 42.394 9.177 -16.371) 46.362 20.222 ( -1.638 -0.821 -1.989) 2.704 21.663 ( -3.428 -2.272 1.464) 4.365 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 4.212 31.428 11.407) 33.698 1.906 ( 9.016 5.208 25.059) 27.136 2.806 ( 1.067 -1.258 -0.274) 1.672 3.386 ( 8.548 -2.849 10.758) 14.033 3.560 ( 11.128 6.198 0.853) 12.766 4.023 ( 3.171 -5.323 -8.719) 10.696 4.733 ( -9.387 -10.092 -2.339) 13.979 5.321 ( -0.537 3.163 -2.929) 4.344 5.876 ( -7.285 -5.243 11.911) 14.914 6.413 ( 2.468 4.041 -3.679) 5.996 7.049 ( -3.376 13.674 3.307) 14.468 7.420 ( 7.053 1.510 5.317) 8.961 8.307 ( 1.489 -13.764 2.574) 14.082 9.020 ( 8.641 1.804 -10.038) 13.367 9.382 ( -9.874 -2.854 0.875) 10.316 9.404 ( -6.057 -5.701 1.676) 8.485 9.969 ( 1.403 22.780 5.834) 23.557 10.504 ( -1.875 1.127 -3.455) 4.089 11.086 ( 1.884 -6.047 -11.980) 13.551 12.198 ( 12.134 13.355 -20.011) 26.945 13.157 ( -11.656 -10.305 3.108) 15.865 13.380 ( -8.249 -1.378 4.117) 9.322 13.774 ( 2.479 3.397 3.331) 5.364 15.019 ( -3.188 5.021 18.438) 19.374 15.248 ( 17.683 -15.114 18.995) 30.033 16.836 ( -10.393 2.848 -20.505) 23.165 17.798 ( 5.217 14.285 -5.471) 16.162 18.614 ( 32.412 5.354 -24.819) 41.173 20.166 ( -2.340 -1.101 -2.287) 3.452 21.585 ( -3.670 -3.067 -0.027) 4.783 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 4.785 25.778 6.031) 26.903 2.188 ( 6.095 4.214 19.873) 21.209 2.728 ( -3.617 -0.247 -4.227) 5.569 3.228 ( -5.180 -7.591 -8.327) 12.402 3.884 ( -1.427 -5.227 -3.107) 6.246 4.099 ( 4.608 9.122 8.010) 12.985 4.525 ( 3.609 -12.912 -4.034) 14.001 5.343 ( 7.474 -2.975 5.782) 9.907 6.001 ( 9.164 12.727 7.647) 17.448 6.429 ( -3.641 2.403 -2.765) 5.165 7.155 ( -1.818 12.992 4.586) 13.897 7.562 ( 6.588 0.897 4.809) 8.206 8.234 ( 2.709 -9.222 -1.101) 9.674 9.048 ( 0.020 -2.493 -7.890) 8.275 9.185 ( -11.890 -0.405 0.391) 11.904 9.250 ( -1.938 -11.295 2.121) 11.655 10.203 ( -3.761 20.316 0.640) 20.671 10.488 ( 0.912 4.054 -0.891) 4.250 11.035 ( 5.285 -4.279 -9.663) 11.816 12.298 ( 1.649 6.329 -11.007) 12.804 12.916 ( -9.704 -7.846 3.055) 12.847 13.242 ( -9.515 -2.514 4.888) 10.988 13.868 ( 2.373 3.484 2.982) 5.164 14.953 ( -17.244 -7.827 24.318) 30.822 15.558 ( 21.315 -10.231 16.454) 28.805 16.658 ( -1.978 5.748 -19.841) 20.751 17.998 ( 6.478 14.963 -5.537) 17.219 18.905 ( 18.601 0.277 -22.255) 29.006 20.116 ( -0.872 -0.325 -2.746) 2.899 21.492 ( -3.378 -3.592 -2.296) 5.439 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 2.187 17.143 3.730) 17.680 2.414 ( 7.515 1.665 12.442) 14.630 2.691 ( -1.225 4.556 -2.204) 5.207 3.040 ( -5.741 -5.971 -6.612) 10.599 3.739 ( -3.452 -7.667 -4.892) 9.728 4.026 ( -15.396 2.913 3.981) 16.167 4.548 ( 8.984 -7.536 -7.370) 13.850 5.569 ( 13.378 -0.835 9.966) 16.703 6.245 ( -9.477 -5.174 -3.306) 11.292 6.472 ( 18.110 19.491 7.002) 27.512 7.269 ( -1.234 10.114 5.032) 11.363 7.713 ( 6.716 3.331 2.684) 7.963 8.221 ( 5.075 -3.899 -3.272) 7.187 8.873 ( -10.478 -6.539 -1.509) 12.443 9.002 ( -9.885 -1.596 1.480) 10.121 9.229 ( 6.008 -5.916 -1.033) 8.494 10.165 ( -9.341 1.846 -1.829) 9.696 10.635 ( 3.566 14.321 -1.147) 14.803 11.063 ( 7.638 -0.442 -8.630) 11.533 12.278 ( -2.321 1.460 -4.762) 5.495 12.757 ( -5.107 -4.073 2.597) 7.030 13.099 ( -8.526 -2.646 4.619) 10.052 13.917 ( -1.854 -1.128 5.626) 6.030 14.666 ( -22.553 -7.253 18.082) 29.802 15.849 ( 15.530 -12.393 13.267) 23.891 16.673 ( 7.044 6.851 -8.428) 12.946 18.193 ( 4.651 14.354 -7.019) 16.641 19.008 ( 10.355 -1.537 -15.173) 18.434 20.110 ( 1.369 1.431 -2.835) 3.458 21.390 ( -2.501 -3.845 -4.566) 6.472 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 1.051 9.512 5.162) 10.873 2.571 ( 4.380 -2.613 4.985) 7.132 2.722 ( -0.630 6.075 -1.147) 6.214 2.859 ( -5.555 -4.396 -4.885) 8.604 3.642 ( 1.364 -2.746 -3.235) 4.457 3.855 ( -10.650 2.380 3.587) 11.487 4.568 ( 6.608 -4.566 -7.639) 11.085 5.789 ( 5.534 2.280 2.980) 6.686 5.943 ( -12.894 -7.569 -0.278) 14.954 7.008 ( 20.417 13.973 4.692) 25.182 7.320 ( -5.297 4.481 3.608) 7.821 7.814 ( 0.775 1.624 -2.464) 3.051 8.295 ( 7.950 -0.278 -1.089) 8.029 8.669 ( -7.517 -3.239 4.350) 9.269 8.855 ( -8.291 -1.409 1.076) 8.479 9.273 ( 5.699 -3.755 -1.066) 6.907 10.023 ( -6.187 -1.417 -0.372) 6.358 10.743 ( 0.116 4.350 -5.066) 6.679 11.192 ( 9.180 8.396 -6.249) 13.922 12.231 ( -0.588 0.549 -3.481) 3.573 12.705 ( -0.142 -2.024 2.578) 3.281 12.983 ( -6.274 -1.450 3.809) 7.482 13.799 ( -11.717 -14.484 13.528) 23.023 14.400 ( -16.831 6.785 5.951) 19.098 15.940 ( 6.306 -17.038 7.512) 19.659 16.891 ( 12.395 5.711 4.882) 14.494 18.298 ( -1.031 11.270 -9.601) 14.841 19.100 ( 10.588 1.190 -6.543) 12.503 20.151 ( 2.348 3.739 -1.622) 4.704 21.295 ( -0.814 -3.963 -6.952) 8.044 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -0.247 0.572 6.345) 6.376 2.483 ( -13.318 -0.841 1.949) 13.486 2.702 ( 3.742 -8.356 -2.699) 9.545 2.882 ( 4.432 9.666 -2.223) 10.864 3.682 ( 0.911 6.055 -1.115) 6.224 3.788 ( 0.786 -1.795 2.145) 2.905 4.598 ( 6.027 -2.047 -6.659) 9.212 5.547 ( -14.910 -8.155 -3.203) 17.294 6.043 ( 8.437 8.294 2.736) 12.143 7.170 ( -15.228 -6.813 -0.120) 16.683 7.328 ( 3.741 5.037 2.655) 6.813 7.738 ( -2.942 -3.869 -3.609) 6.054 8.425 ( 6.415 1.361 1.971) 6.847 8.670 ( 0.797 0.162 7.139) 7.185 8.738 ( -3.426 3.380 -0.816) 4.881 9.341 ( 5.489 0.265 0.487) 5.517 9.966 ( -0.239 -0.426 0.621) 0.790 10.679 ( -3.160 -2.670 -8.639) 9.579 11.390 ( 6.525 10.090 -2.270) 12.228 12.262 ( 6.372 2.385 -6.245) 9.235 12.730 ( 2.541 -0.377 2.591) 3.649 12.931 ( -1.828 0.485 3.366) 3.861 13.492 ( -15.280 -18.580 17.429) 29.706 14.306 ( -11.254 14.036 0.518) 17.998 15.855 ( 0.326 -19.948 6.174) 20.885 17.160 ( 11.056 1.695 8.419) 14.000 18.272 ( -6.404 8.988 -8.746) 14.082 19.299 ( 13.109 4.565 -1.225) 13.935 20.230 ( 2.126 5.789 0.708) 6.207 21.214 ( 1.325 -4.201 -9.987) 10.915 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -18.059 -4.640 4.073) 19.086 2.390 ( -0.252 -6.264 7.797) 10.004 2.665 ( -0.023 -2.622 -2.865) 3.884 3.056 ( 6.226 12.673 -3.368) 14.515 3.712 ( -2.473 6.316 -0.351) 6.792 3.877 ( 11.023 -4.753 -1.375) 12.082 4.642 ( 4.547 0.599 -5.668) 7.291 5.278 ( -9.153 -4.813 -0.145) 10.342 6.285 ( 9.109 10.888 0.328) 14.200 6.691 ( -27.447 -18.189 -2.010) 32.988 7.299 ( -9.236 3.212 1.366) 9.873 7.658 ( -1.271 -8.384 0.564) 8.499 8.504 ( -1.241 -2.631 2.983) 4.167 8.662 ( 4.153 3.872 -2.982) 6.413 8.889 ( 7.357 5.930 5.003) 10.692 9.452 ( 3.475 4.968 2.988) 6.759 9.983 ( 2.470 -1.662 -2.139) 3.666 10.538 ( -4.258 -2.246 -7.890) 9.242 11.548 ( 3.679 8.394 0.555) 9.182 12.352 ( 6.841 -0.718 -9.677) 11.872 12.805 ( 3.326 3.442 1.263) 4.950 12.980 ( 4.361 1.064 4.507) 6.361 13.278 ( -3.936 -10.893 17.977) 21.385 14.269 ( -10.582 14.159 0.416) 17.681 15.673 ( -3.510 -21.479 6.660) 22.760 17.349 ( 8.568 -2.685 4.949) 10.253 18.188 ( -9.847 9.714 -4.378) 14.508 19.557 ( 13.064 5.566 -0.215) 14.202 20.321 ( 0.807 5.435 3.105) 6.311 21.148 ( 3.540 -3.948 -13.753) 14.740 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -21.373 -2.937 10.278) 23.897 2.235 ( -13.035 -14.873 5.450) 20.514 2.699 ( 4.846 4.592 -1.215) 6.786 3.261 ( 7.062 12.293 -4.192) 14.784 3.722 ( -2.094 3.576 -3.712) 5.563 3.956 ( 7.881 -10.924 -2.126) 13.637 4.704 ( 4.444 4.435 -2.423) 6.729 5.177 ( -1.103 -2.377 2.819) 3.848 6.028 ( -29.220 -17.361 -0.906) 34.000 6.519 ( 6.719 7.916 -0.974) 10.429 7.191 ( -10.129 7.342 1.021) 12.552 7.538 ( -2.183 -12.900 4.207) 13.743 8.386 ( -6.303 -6.144 -2.061) 9.040 8.835 ( 9.884 6.223 -2.063) 11.861 9.072 ( 7.581 3.261 3.155) 8.835 9.555 ( -1.335 7.951 5.759) 9.908 9.932 ( -1.649 -6.268 -7.601) 9.989 10.471 ( -0.207 3.263 -2.901) 4.371 11.671 ( 1.360 6.918 2.839) 7.600 12.340 ( 2.848 -2.862 -10.490) 11.240 12.898 ( 5.534 1.912 1.163) 5.969 13.113 ( 7.286 1.846 0.275) 7.522 13.411 ( 11.223 1.171 19.077) 22.165 14.229 ( -10.118 12.207 1.477) 15.924 15.435 ( -5.861 -21.938 7.241) 23.834 17.450 ( 7.327 -4.640 -0.716) 8.702 18.091 ( -12.539 10.512 -0.273) 16.365 19.789 ( 10.227 5.455 -3.560) 12.126 20.358 ( -1.902 -0.719 1.890) 2.776 21.115 ( 5.996 -0.862 -14.671) 15.872 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 22.151 12.339 20.536) 32.629 1.604 ( -7.325 25.362 22.881) 34.935 2.613 ( -3.767 9.111 33.598) 35.015 3.218 ( 1.022 -2.279 8.482) 8.842 3.636 ( -3.139 -10.014 -16.029) 19.159 3.979 ( -2.155 4.395 -11.265) 12.282 5.036 ( -7.446 -2.860 -1.553) 8.126 5.149 ( 9.107 2.255 -1.945) 9.581 6.274 ( -4.658 -28.684 3.046) 29.219 6.355 ( 0.283 -2.767 -1.485) 3.153 7.068 ( 15.402 1.538 2.873) 15.743 7.257 ( -5.351 11.070 2.800) 12.611 8.322 ( -12.612 -8.512 5.026) 16.024 8.744 ( 5.339 13.737 -4.610) 15.443 9.487 ( 0.715 2.392 3.148) 4.018 9.580 ( 1.384 4.866 3.372) 6.080 9.801 ( 5.589 -4.172 4.397) 8.244 10.520 ( 1.898 -2.248 -5.803) 6.506 11.328 ( -11.009 7.475 -14.733) 19.852 11.551 ( 9.632 28.938 -21.452) 37.287 13.399 ( 0.095 -9.020 2.499) 9.360 13.560 ( -4.739 -3.550 2.967) 6.623 13.708 ( 5.908 4.378 1.765) 7.563 14.849 ( -2.010 -2.494 13.439) 13.815 15.136 ( -5.313 9.743 19.075) 22.069 17.333 ( -13.541 2.940 -13.031) 19.021 17.396 ( 28.030 0.026 -8.707) 29.351 17.958 ( -12.163 30.716 -9.881) 34.483 20.212 ( 0.119 -1.555 -2.053) 2.578 21.649 ( -0.295 -7.608 2.001) 7.873 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 6.819 25.160 11.604) 28.534 1.970 ( 8.851 18.520 22.359) 30.352 2.771 ( 2.297 -1.747 6.845) 7.428 3.326 ( 0.355 -6.986 0.599) 7.021 3.453 ( 6.067 4.907 8.546) 11.572 3.903 ( -1.141 -2.227 -9.645) 9.964 4.836 ( -11.377 -5.585 -0.023) 12.674 5.271 ( 4.887 -2.036 -4.722) 7.094 5.957 ( -5.997 -13.693 9.061) 17.481 6.410 ( 2.743 7.523 -3.009) 8.554 7.232 ( -0.323 8.999 1.630) 9.151 7.391 ( 5.230 9.108 4.398) 11.386 8.154 ( 0.227 -15.317 4.263) 15.901 8.866 ( 5.535 1.088 -5.749) 8.054 9.467 ( -6.119 -1.166 -0.089) 6.230 9.533 ( -8.402 -2.240 3.140) 9.245 10.026 ( 13.871 7.850 4.169) 16.474 10.511 ( 1.206 0.172 -4.590) 4.749 11.095 ( -12.652 9.268 -14.416) 21.302 11.969 ( 19.476 18.830 -19.057) 33.122 13.226 ( -8.493 -13.125 3.754) 16.077 13.534 ( -2.037 3.195 1.358) 4.025 13.770 ( -1.531 0.888 1.963) 2.643 14.960 ( 11.317 -7.297 14.505) 19.792 15.246 ( -4.358 3.437 24.302) 24.928 17.010 ( -16.991 6.500 -19.237) 26.476 17.814 ( 15.079 11.835 -8.149) 20.829 18.127 ( 14.860 18.684 -16.144) 28.819 20.174 ( -1.432 -1.649 -2.107) 3.034 21.562 ( -1.283 -9.997 1.290) 10.161 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.732 24.520 6.376) 25.346 2.301 ( 0.800 9.714 19.400) 21.711 2.752 ( -2.005 -1.046 -2.262) 3.199 3.164 ( -1.043 -7.083 -9.894) 12.212 3.766 ( 5.844 -9.019 -11.129) 15.470 3.948 ( 17.237 6.155 17.402) 25.255 4.581 ( -14.757 -4.658 1.352) 15.534 5.241 ( 2.920 -6.209 0.039) 6.862 5.997 ( 7.478 5.468 7.228) 11.751 6.498 ( -0.493 7.373 -1.674) 7.576 7.321 ( -1.571 10.667 2.515) 11.071 7.547 ( 3.010 5.996 4.885) 8.299 8.093 ( 4.989 -9.603 1.305) 10.900 8.901 ( 5.330 -4.287 -6.568) 9.483 9.287 ( -9.542 -8.240 1.208) 12.665 9.386 ( -11.348 2.394 1.228) 11.663 10.335 ( 11.703 8.070 1.565) 14.301 10.483 ( -2.537 -0.094 -2.602) 3.635 10.952 ( -4.956 6.960 -12.071) 14.789 12.224 ( 7.953 8.787 -12.238) 17.036 13.000 ( -8.276 -10.969 4.839) 14.568 13.465 ( -13.220 7.689 -1.133) 15.335 13.804 ( 6.667 -4.769 4.517) 9.359 15.098 ( 4.890 -25.237 25.660) 36.322 15.389 ( 2.464 11.162 17.129) 20.593 16.737 ( -11.880 11.466 -21.686) 27.256 18.048 ( 4.328 18.274 -4.513) 19.314 18.466 ( 22.666 6.268 -21.054) 31.565 20.124 ( -1.669 -0.682 -1.994) 2.688 21.448 ( -1.177 -10.652 -0.881) 10.753 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -1.234 18.101 2.384) 18.299 2.434 ( -0.304 2.059 11.488) 11.675 2.734 ( 0.065 4.893 -1.714) 5.185 3.050 ( -4.345 -2.477 -3.507) 6.108 3.655 ( 0.423 -9.678 -7.993) 12.560 4.249 ( 13.120 -8.158 -2.979) 15.734 4.322 ( -15.690 0.963 3.657) 16.139 5.374 ( 14.190 -1.680 9.290) 17.044 6.247 ( 5.555 2.332 1.044) 6.114 6.514 ( 0.596 10.586 2.748) 10.953 7.403 ( -0.781 8.067 3.688) 8.905 7.703 ( 5.071 9.334 3.925) 11.325 8.128 ( 3.553 0.910 -2.170) 4.262 8.876 ( 1.748 -7.426 -4.823) 9.026 9.075 ( -6.805 -9.595 2.663) 12.061 9.253 ( -9.619 5.267 0.516) 10.979 10.330 ( -10.609 0.065 -3.136) 11.063 10.579 ( 10.459 -1.824 -0.977) 10.661 10.952 ( 3.270 9.530 -8.778) 13.363 12.276 ( 0.437 1.010 -5.805) 5.908 12.827 ( -6.618 -6.364 4.154) 10.077 13.293 ( -13.818 4.920 -0.922) 14.697 13.892 ( 5.354 -5.899 4.862) 9.333 14.949 ( -11.069 -25.035 28.768) 39.709 15.653 ( 8.056 5.958 8.682) 13.258 16.645 ( -0.355 13.092 -13.392) 18.732 18.255 ( 2.908 18.453 -4.008) 19.105 18.699 ( 16.661 1.856 -17.907) 24.530 20.102 ( 0.123 1.590 -1.633) 2.282 21.321 ( -0.770 -10.696 -3.521) 11.287 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -1.930 11.257 3.277) 11.882 2.492 ( 2.519 -1.937 4.692) 5.667 2.801 ( 0.142 8.162 -1.489) 8.298 2.917 ( -7.931 -2.419 -1.238) 8.384 3.548 ( 1.499 -6.474 -4.734) 8.159 4.109 ( -13.323 2.483 3.825) 14.082 4.330 ( 9.906 -5.887 -8.849) 14.529 5.655 ( 14.351 -0.785 7.197) 16.074 6.057 ( -13.295 -12.389 -1.635) 18.246 6.887 ( 16.937 17.739 4.662) 24.965 7.467 ( -3.325 6.216 3.287) 7.778 7.875 ( -0.214 11.830 0.149) 11.833 8.196 ( 4.838 4.616 -2.761) 7.234 8.757 ( -5.635 -5.272 0.855) 7.764 8.963 ( -2.557 -5.662 4.949) 7.943 9.188 ( -2.216 2.566 -2.476) 4.199 10.128 ( -9.837 -2.637 -1.641) 10.316 10.638 ( 5.976 -8.388 -5.955) 11.897 11.121 ( 8.231 13.080 -4.319) 16.047 12.224 ( -1.605 -3.171 -2.779) 4.512 12.723 ( -3.351 -3.118 2.813) 5.372 13.128 ( -10.426 2.959 -0.740) 10.863 13.869 ( -3.737 -12.028 7.984) 14.913 14.692 ( -12.859 -15.460 20.514) 28.726 15.789 ( 2.257 -0.832 1.955) 3.100 16.809 ( 9.346 11.389 0.715) 14.751 18.399 ( -1.429 14.198 -4.538) 14.974 18.879 ( 14.249 4.248 -11.138) 18.578 20.144 ( 2.485 4.470 -0.878) 5.189 21.190 ( 0.138 -10.756 -6.313) 12.473 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -3.303 1.422 5.269) 6.379 2.546 ( 3.588 -0.794 1.470) 3.958 2.717 ( -13.099 -1.450 0.990) 13.216 2.895 ( 3.117 8.279 -2.181) 9.111 3.564 ( 7.589 -1.196 -4.162) 8.737 3.969 ( -11.467 4.540 3.782) 12.900 4.396 ( 9.777 -3.319 -8.364) 13.287 5.669 ( -13.642 -10.929 -2.763) 17.697 5.927 ( 12.551 -1.111 3.637) 13.114 7.280 ( 11.222 10.463 3.424) 15.720 7.391 ( -13.529 0.602 1.076) 13.585 7.855 ( -10.556 7.603 -3.580) 13.493 8.340 ( 7.378 3.956 0.024) 8.372 8.707 ( 0.264 0.889 5.631) 5.707 8.871 ( -9.085 1.508 2.165) 9.460 9.235 ( 7.917 0.883 -0.960) 8.024 9.988 ( -3.979 -2.404 -0.231) 4.655 10.576 ( 2.480 -9.796 -8.140) 12.976 11.356 ( 8.281 10.483 -0.863) 13.387 12.173 ( 1.818 -2.396 -3.937) 4.954 12.695 ( 1.081 -2.164 2.358) 3.378 13.021 ( -6.000 3.434 -0.408) 6.926 13.644 ( -12.930 -18.187 13.731) 26.201 14.528 ( -6.495 -6.605 10.577) 14.060 15.758 ( -2.999 -4.817 0.757) 5.724 17.077 ( 9.379 7.236 5.297) 12.976 18.430 ( -5.276 9.974 -1.801) 11.426 19.117 ( 14.258 8.022 -6.322) 17.539 20.246 ( 3.560 7.031 0.207) 7.883 21.059 ( 1.668 -11.084 -9.525) 14.709 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -4.421 -1.699 6.149) 7.762 2.474 ( -13.907 -4.416 3.736) 15.062 2.605 ( 2.142 0.403 1.513) 2.654 3.057 ( 6.232 12.265 -2.603) 14.002 3.668 ( 8.920 -3.676 -4.017) 10.451 3.866 ( -8.841 6.246 1.266) 10.899 4.481 ( 9.050 -1.544 -7.124) 11.620 5.363 ( -10.156 -9.447 -0.714) 13.889 6.161 ( 14.362 2.573 -0.547) 14.601 7.028 ( -28.231 -6.129 -0.990) 28.905 7.432 ( -1.676 0.829 5.426) 5.739 7.734 ( -9.930 7.156 -1.861) 12.381 8.468 ( 5.387 -0.970 2.820) 6.158 8.697 ( -6.469 4.679 -4.982) 9.411 8.869 ( 4.363 3.607 5.316) 7.765 9.424 ( 9.426 6.838 3.138) 12.060 9.933 ( -0.252 -3.212 -1.671) 3.630 10.479 ( 1.240 -6.717 -6.558) 9.470 11.544 ( 5.870 5.585 2.080) 8.365 12.196 ( 5.495 0.070 -8.291) 9.947 12.749 ( 5.756 -1.084 2.449) 6.349 13.001 ( -1.625 5.419 0.136) 5.659 13.369 ( -9.670 -16.431 18.097) 26.286 14.446 ( -3.107 -5.951 5.295) 8.550 15.632 ( -7.170 -6.171 2.262) 9.727 17.264 ( 5.408 3.174 2.470) 6.739 18.417 ( -7.700 8.954 3.081) 12.205 19.388 ( 13.947 7.861 -4.679) 16.680 20.365 ( 1.923 6.610 0.543) 6.905 20.942 ( 4.256 -9.564 -12.786) 16.525 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -19.745 2.596 10.807) 22.658 2.303 ( -4.750 -8.803 7.146) 12.293 2.660 ( 3.309 1.854 0.028) 3.793 3.253 ( 5.381 12.757 -4.676) 14.613 3.684 ( 5.512 -11.560 -0.212) 12.809 3.843 ( -3.433 8.581 -5.599) 10.806 4.579 ( 9.265 -0.427 -5.710) 10.892 5.184 ( -3.548 -6.265 1.246) 7.307 6.356 ( -6.262 -6.000 -3.478) 9.343 6.494 ( -15.489 1.654 3.307) 15.924 7.373 ( -6.354 -3.214 8.166) 10.834 7.624 ( -11.598 6.650 -1.222) 13.425 8.430 ( -7.116 -4.975 -2.300) 8.982 8.730 ( 7.880 6.216 -4.215) 10.885 9.005 ( 5.841 1.591 2.952) 6.735 9.644 ( 4.377 7.108 7.452) 11.190 9.874 ( -1.011 -2.234 -5.767) 6.266 10.450 ( 2.864 -0.690 -2.609) 3.935 11.678 ( 4.789 0.608 4.127) 6.351 12.221 ( 3.525 2.573 -11.689) 12.477 12.836 ( 3.939 -1.231 -0.473) 4.154 13.064 ( 2.817 5.205 2.189) 6.310 13.349 ( 7.742 -6.359 21.692) 23.894 14.361 ( -1.697 -9.663 2.400) 10.100 15.451 ( -10.800 -5.626 4.186) 12.877 17.351 ( 3.314 1.406 -1.472) 3.889 18.375 ( -10.496 7.481 5.537) 14.028 19.630 ( 12.047 5.397 -7.018) 14.951 20.370 ( -2.929 -3.855 -4.380) 6.529 20.925 ( 8.041 0.965 -10.613) 13.350 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.913 10.467 18.867) 21.595 2.009 ( -4.794 10.956 23.580) 26.439 2.805 ( 0.103 -2.014 -1.613) 2.582 3.447 ( -9.108 1.493 1.796) 9.402 3.500 ( -2.351 6.156 12.331) 13.981 4.007 ( -3.039 3.731 -10.875) 11.893 4.932 ( 13.467 0.810 -1.972) 13.634 5.161 ( -9.649 -3.538 -1.154) 10.342 6.007 ( 8.339 -17.658 6.912) 20.715 6.363 ( -0.986 4.138 -4.127) 5.926 6.948 ( 3.025 -0.687 7.175) 7.817 7.438 ( -4.092 9.130 3.080) 10.469 8.448 ( -4.306 -5.230 0.864) 6.830 8.837 ( -9.763 5.442 -7.686) 13.565 9.454 ( 9.103 -3.206 2.299) 9.922 9.560 ( 7.230 5.164 3.749) 9.643 9.720 ( -3.697 -9.431 5.314) 11.439 10.460 ( -0.212 -1.217 -4.140) 4.320 11.230 ( 11.336 10.541 -11.922) 19.539 11.841 ( -19.130 13.193 -19.193) 30.139 13.274 ( 7.603 -7.983 1.706) 11.156 13.554 ( 5.702 -2.452 5.972) 8.613 13.662 ( -0.841 -1.927 0.441) 2.148 14.994 ( -6.580 -2.993 15.383) 16.996 15.502 ( -9.661 16.562 18.329) 26.525 16.916 ( 23.880 2.030 -12.017) 26.810 17.506 ( -14.217 0.671 -11.066) 18.028 18.429 ( -18.420 28.353 -18.981) 38.774 20.169 ( 1.613 -1.888 -2.284) 3.374 21.578 ( 0.652 -8.886 1.540) 9.042 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 22.413 20.116 14.370) 33.369 2.217 ( 1.017 14.111 20.910) 25.246 2.759 ( -0.453 -4.353 -2.099) 4.854 3.244 ( -5.722 -7.877 -15.518) 18.320 3.617 ( -4.773 6.653 21.571) 23.073 3.905 ( -4.648 1.543 -6.480) 8.122 4.976 ( -10.395 -2.811 1.799) 10.917 5.105 ( 8.663 -1.406 -2.702) 9.183 5.924 ( -0.357 -12.261 5.507) 13.446 6.418 ( 3.261 7.525 -2.693) 8.631 7.162 ( 13.142 3.426 5.629) 14.702 7.501 ( -1.455 11.752 2.271) 12.058 8.158 ( -13.825 -11.901 0.731) 18.256 8.805 ( 0.502 1.273 -3.315) 3.586 9.536 ( -3.409 -2.136 0.082) 4.024 9.621 ( -0.409 -3.879 3.796) 5.442 9.812 ( 15.560 1.940 3.230) 16.010 10.444 ( 2.044 -0.375 -3.880) 4.402 11.316 ( -7.021 9.619 -15.735) 19.734 11.799 ( 8.661 18.849 -12.188) 24.059 13.245 ( -5.219 -10.331 1.740) 11.704 13.465 ( 4.008 -10.090 4.306) 11.680 13.835 ( 4.255 8.681 -1.466) 9.778 14.932 ( -4.854 -7.027 14.856) 17.136 15.566 ( -10.296 12.021 22.200) 27.264 17.187 ( -7.122 -0.117 -11.665) 13.668 17.417 ( 24.405 13.396 -15.376) 31.804 18.332 ( -12.448 25.260 -15.113) 31.960 20.154 ( 0.311 -1.892 -2.241) 2.949 21.481 ( -1.026 -12.958 2.450) 13.227 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 8.976 15.332 8.430) 19.665 2.512 ( 1.694 12.193 15.753) 19.993 2.720 ( 3.341 -3.413 -0.597) 4.813 3.032 ( 0.112 -2.487 -15.239) 15.441 3.598 ( -2.950 -6.488 -5.882) 9.240 3.925 ( 3.144 -0.127 13.352) 13.717 4.778 ( -11.721 -5.029 2.044) 12.917 5.160 ( 1.315 0.753 2.307) 2.760 5.951 ( 6.564 2.110 4.634) 8.307 6.543 ( 3.219 7.772 -1.256) 8.506 7.392 ( 5.722 7.248 2.085) 9.467 7.613 ( -0.138 7.389 3.049) 7.994 7.942 ( 1.639 -8.736 2.219) 9.161 8.790 ( 0.733 -2.224 -4.061) 4.688 9.368 ( -9.035 -8.297 0.631) 12.283 9.575 ( -6.968 2.170 1.203) 7.397 10.101 ( 17.164 -1.635 1.171) 17.281 10.462 ( 2.244 -0.658 -2.683) 3.559 11.150 ( -12.833 12.484 -14.441) 23.002 12.085 ( 12.284 9.971 -8.060) 17.756 13.037 ( -6.896 -11.534 3.428) 13.869 13.539 ( 9.195 -6.533 4.864) 12.283 13.842 ( -10.890 9.272 -5.415) 15.293 14.910 ( 3.984 -17.184 17.665) 24.964 15.672 ( -6.507 11.139 25.536) 28.610 16.948 ( -14.359 10.451 -17.942) 25.245 17.886 ( 27.042 10.574 -15.170) 32.760 18.334 ( -3.865 19.682 -11.726) 23.234 20.123 ( -0.628 -1.017 -2.054) 2.377 21.349 ( -1.144 -14.317 1.746) 14.468 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 0.567 8.602 3.917) 9.469 2.554 ( -3.846 1.644 2.401) 4.823 2.757 ( 0.936 3.568 -0.998) 3.821 3.096 ( 1.785 7.074 0.581) 7.319 3.452 ( 3.336 -10.211 -12.180) 16.240 4.031 ( 6.223 -7.164 6.213) 11.342 4.544 ( -11.678 -5.777 0.899) 13.060 5.262 ( 5.248 3.875 9.488) 11.514 6.165 ( 8.999 4.754 1.631) 10.307 6.606 ( -0.558 5.694 0.474) 5.741 7.483 ( -0.566 5.473 1.081) 5.608 7.719 ( 6.419 7.568 2.844) 10.323 8.065 ( 8.691 5.085 1.973) 10.261 8.742 ( 0.969 -5.534 -4.136) 6.977 9.140 ( -9.495 -9.059 1.189) 13.177 9.475 ( -9.805 5.184 0.368) 11.097 10.303 ( 13.117 -7.104 -3.028) 15.222 10.435 ( -3.491 -3.410 -0.747) 4.937 11.035 ( -5.800 13.684 -10.712) 18.321 12.220 ( 3.462 0.424 -4.944) 6.051 12.882 ( -4.841 -7.312 4.660) 9.931 13.593 ( -12.400 8.197 -4.548) 15.544 13.715 ( 5.102 -8.341 2.551) 10.105 14.881 ( 2.309 -27.111 21.994) 34.987 15.835 ( -4.874 13.189 21.105) 25.360 16.774 ( -8.932 16.347 -16.777) 25.069 18.282 ( 21.787 10.461 -14.984) 28.437 18.419 ( 0.947 14.140 -7.834) 16.192 20.106 ( 0.073 1.171 -1.550) 1.944 21.205 ( -1.039 -14.379 -0.083) 14.417 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -0.498 -2.246 2.064) 3.090 2.567 ( -1.238 9.016 1.085) 9.165 2.836 ( 2.543 6.236 -1.426) 6.884 3.052 ( -9.567 0.696 0.748) 9.622 3.403 ( 5.373 -7.213 -7.270) 11.565 4.090 ( 7.493 -3.915 -3.003) 8.971 4.338 ( -10.356 -1.599 2.106) 10.688 5.472 ( 11.156 -0.103 8.839) 14.233 6.111 ( -9.283 -12.745 -2.344) 15.940 6.830 ( 12.962 16.109 3.859) 21.034 7.557 ( 1.227 7.080 0.552) 7.206 7.950 ( 7.338 12.438 1.754) 14.547 8.222 ( 0.330 10.303 -1.147) 10.372 8.705 ( 4.281 -6.553 -1.121) 7.907 8.944 ( -4.955 -8.620 3.413) 10.512 9.364 ( -11.076 6.242 -0.898) 12.746 10.249 ( -10.072 -4.364 -3.263) 11.451 10.381 ( 8.942 -12.340 -4.424) 15.868 11.116 ( 4.447 13.358 -4.773) 14.866 12.184 ( -0.759 -6.063 -2.392) 6.562 12.784 ( -4.864 -2.954 3.643) 6.757 13.366 ( -16.326 6.641 -6.059) 18.638 13.766 ( 6.371 -12.739 3.775) 14.735 14.724 ( -4.109 -29.944 22.967) 37.961 15.940 ( -8.708 14.315 7.284) 18.271 16.822 ( 3.421 15.635 -3.804) 16.451 18.498 ( 4.266 4.158 -6.880) 9.101 18.629 ( 14.159 16.977 -9.718) 24.148 20.142 ( 2.334 4.267 -0.842) 4.936 21.050 ( -0.996 -14.249 -2.471) 14.496 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 0.755 -6.599 1.664) 6.848 2.647 ( -3.527 9.851 2.787) 10.828 2.874 ( -3.580 -1.004 -0.505) 3.752 2.932 ( -3.823 6.039 0.404) 7.159 3.405 ( 6.522 -3.074 -5.873) 9.300 4.125 ( 2.422 -4.831 -5.726) 7.874 4.255 ( -3.311 7.299 2.775) 8.482 5.687 ( 11.720 -1.861 2.511) 12.129 5.769 ( -11.781 -16.562 -0.732) 20.338 7.193 ( 12.235 8.468 3.942) 15.393 7.611 ( -5.521 10.740 -1.702) 12.195 8.093 ( -6.778 11.213 -1.363) 13.173 8.286 ( 2.590 5.359 -0.894) 6.019 8.726 ( 1.449 -0.052 3.327) 3.629 8.949 ( 7.939 -2.332 6.874) 10.758 9.217 ( -10.472 4.206 -4.573) 12.177 10.040 ( -7.371 -4.765 -2.304) 9.074 10.356 ( 6.321 -12.249 -6.007) 15.036 11.312 ( 7.792 8.973 -0.928) 11.920 12.100 ( 0.281 -6.322 -1.708) 6.555 12.714 ( -3.668 -0.811 2.254) 4.381 13.174 ( -10.140 4.673 -3.933) 11.838 13.683 ( -3.668 -15.905 5.488) 17.221 14.508 ( -3.078 -26.796 17.153) 31.965 15.919 ( -11.341 13.049 -0.248) 17.290 17.053 ( 7.481 10.722 4.106) 13.703 18.550 ( 0.684 3.205 1.155) 3.475 18.944 ( 13.297 15.665 -10.213) 22.946 20.248 ( 4.469 7.437 -0.278) 8.681 20.883 ( -0.626 -14.445 -5.250) 15.382 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 1.403 -7.239 1.548) 7.534 2.644 ( -5.250 3.818 3.564) 7.406 2.744 ( -11.517 1.084 4.531) 12.424 3.051 ( 6.084 10.244 -0.885) 11.947 3.468 ( 8.211 -3.820 -6.989) 11.439 4.063 ( -5.407 2.872 -0.191) 6.125 4.323 ( 3.586 3.685 -2.965) 5.936 5.427 ( -11.072 -12.415 -0.265) 16.637 5.901 ( 15.949 -2.935 -1.293) 16.268 7.295 ( -6.694 -7.417 2.821) 10.382 7.576 ( -10.430 15.670 -1.757) 18.905 7.999 ( -12.303 8.156 1.574) 14.845 8.377 ( 5.567 -0.650 0.601) 5.637 8.801 ( 2.419 2.489 1.235) 3.684 8.939 ( -12.258 3.936 -0.701) 12.893 9.305 ( 15.600 7.198 2.679) 17.388 9.908 ( -2.582 -4.691 -2.898) 6.088 10.317 ( 5.475 -8.739 -4.278) 11.164 11.480 ( 7.196 0.462 1.817) 7.437 12.090 ( 3.788 0.913 -4.750) 6.143 12.691 ( 0.773 -0.742 2.495) 2.715 13.098 ( -3.743 6.125 -1.225) 7.282 13.455 ( -9.213 -17.021 10.262) 21.906 14.337 ( 1.276 -24.431 9.095) 26.100 15.833 ( -12.991 10.858 -0.058) 16.931 17.244 ( 4.351 5.468 2.301) 7.357 18.598 ( -2.238 3.423 8.272) 9.227 19.218 ( 12.530 12.087 -10.752) 20.462 20.389 ( 2.739 7.258 -1.042) 7.827 20.726 ( 2.500 -11.564 -7.467) 13.991 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 0.626 -7.049 3.241) 7.784 2.572 ( -13.392 5.733 7.321) 16.304 2.662 ( -1.978 1.091 4.430) 4.972 3.251 ( 6.973 10.955 -2.463) 13.218 3.470 ( 5.023 -11.843 -5.226) 13.886 4.019 ( -7.472 10.999 -1.596) 13.392 4.396 ( 7.126 -0.913 -4.614) 8.538 5.202 ( -6.113 -7.602 1.835) 9.926 6.132 ( 17.143 -2.030 -3.775) 17.671 6.943 ( -27.638 -3.870 1.998) 27.979 7.517 ( -9.702 2.073 5.783) 11.484 7.904 ( -12.017 9.794 1.139) 15.544 8.442 ( 2.166 -4.368 2.002) 5.271 8.722 ( -6.919 6.220 -9.109) 13.021 8.930 ( 5.607 -2.119 1.448) 6.166 9.631 ( 8.256 4.192 8.317) 12.446 9.845 ( 2.274 3.546 -6.291) 7.571 10.338 ( 6.547 -4.101 -1.563) 7.882 11.578 ( 6.732 -6.563 3.505) 10.033 12.154 ( 3.680 8.206 -9.944) 13.408 12.756 ( 4.500 -0.129 1.723) 4.820 13.128 ( -1.557 6.640 1.496) 6.982 13.302 ( 1.700 -11.540 17.563) 21.084 14.182 ( 2.851 -25.133 3.388) 25.520 15.706 ( -14.980 8.753 2.169) 17.485 17.323 ( 1.785 1.887 -1.796) 3.158 18.610 ( -7.010 2.319 10.774) 13.062 19.434 ( 11.722 6.245 -13.262) 18.770 20.340 ( -4.522 -7.588 -6.090) 10.729 20.778 ( 9.544 6.799 -4.422) 12.525 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -13.602 7.451 12.254) 19.766 2.257 ( -3.279 4.595 20.313) 21.083 2.709 ( 2.782 -3.713 -5.560) 7.242 3.272 ( 5.331 -5.095 -11.788) 13.904 3.877 ( -4.787 -1.240 4.187) 6.480 4.037 ( -3.434 1.109 2.324) 4.292 4.746 ( 10.679 6.006 -2.510) 12.507 5.359 ( -11.773 10.232 6.460) 16.883 5.867 ( -2.234 -6.741 5.207) 8.806 6.383 ( -0.430 0.030 -3.105) 3.135 7.003 ( -5.157 -2.689 9.041) 10.750 7.588 ( -3.080 8.083 1.842) 8.844 8.407 ( 5.671 2.677 -1.463) 6.439 8.969 ( -6.398 1.584 -10.047) 12.016 9.231 ( 9.538 -9.069 1.113) 13.208 9.483 ( 10.457 4.879 3.241) 11.985 9.813 ( -14.506 -10.781 5.395) 18.862 10.432 ( -0.071 -3.429 -1.838) 3.891 11.123 ( 6.190 9.624 -8.905) 14.500 12.078 ( -12.373 3.536 -11.443) 17.220 13.057 ( 11.052 -6.404 1.105) 12.821 13.427 ( 12.644 0.202 8.382) 15.172 13.708 ( -9.475 -7.823 -1.403) 12.367 15.090 ( 2.129 -11.080 20.818) 23.679 15.896 ( -3.957 21.864 18.816) 29.116 16.582 ( 10.794 5.969 -15.761) 20.013 17.687 ( -15.504 0.405 -10.740) 18.865 18.781 ( -11.746 19.954 -21.061) 31.300 20.113 ( 1.553 -0.884 -2.754) 3.283 21.487 ( 1.269 -8.357 -0.396) 8.462 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 10.500 20.599 13.821) 26.937 2.392 ( 0.903 4.834 18.880) 19.510 2.682 ( 1.673 -3.616 -5.135) 6.499 3.161 ( -2.339 -6.973 -13.211) 15.121 3.786 ( -5.129 -4.461 -1.853) 7.046 3.990 ( -4.231 -1.982 5.313) 7.075 4.882 ( 6.269 -6.514 -3.638) 9.745 5.316 ( -14.107 20.068 11.008) 26.887 5.833 ( 2.563 -6.834 2.888) 7.849 6.400 ( 3.550 2.528 -2.299) 4.927 7.073 ( 6.076 2.962 10.553) 12.533 7.636 ( -1.855 9.983 0.411) 10.162 8.300 ( -14.038 -6.965 -4.311) 16.253 8.834 ( -4.753 1.612 -3.662) 6.213 9.375 ( 15.919 -5.949 -0.920) 17.019 9.568 ( -2.302 -9.302 2.257) 9.845 9.754 ( 4.791 6.564 6.307) 10.286 10.402 ( 0.935 -2.301 -1.461) 2.881 11.279 ( 7.761 9.387 -12.252) 17.276 11.908 ( -7.970 9.989 -6.976) 14.559 13.168 ( 7.805 -5.661 1.634) 9.779 13.386 ( -7.941 -14.313 0.357) 16.372 13.758 ( 12.662 5.097 3.594) 14.115 15.068 ( -7.093 -9.220 17.766) 21.236 15.989 ( -11.851 15.547 12.334) 23.114 16.915 ( 23.060 8.554 -3.856) 24.896 17.428 ( -10.547 6.995 -15.452) 19.973 18.658 ( -12.545 20.372 -19.263) 30.716 20.113 ( 1.171 -0.852 -2.547) 2.930 21.389 ( -0.976 -13.176 1.757) 13.328 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 15.258 17.183 8.753) 24.590 2.591 ( 7.354 2.273 12.891) 15.015 2.635 ( -0.668 -1.869 -1.731) 2.633 2.982 ( -3.670 -1.611 -11.438) 12.120 3.604 ( -7.202 -6.029 -8.753) 12.839 3.946 ( -0.949 -6.683 9.095) 11.326 4.780 ( -2.365 -14.012 -3.915) 14.739 5.386 ( -10.962 18.474 13.295) 25.263 5.893 ( 5.920 4.819 1.743) 7.830 6.505 ( 6.874 2.039 -0.861) 7.222 7.314 ( 11.436 5.069 7.755) 14.718 7.712 ( -1.667 8.228 0.457) 8.407 7.965 ( -11.786 -5.413 -2.585) 13.225 8.779 ( -2.291 -0.041 -2.034) 3.064 9.414 ( -6.378 -9.647 0.207) 11.567 9.536 ( 10.662 -6.089 -2.247) 12.483 9.933 ( 5.922 4.989 4.823) 9.123 10.405 ( 2.351 -1.612 -0.842) 2.972 11.316 ( -4.397 9.932 -16.517) 19.769 11.977 ( 6.683 8.156 -0.601) 10.562 13.062 ( -7.886 -10.646 0.736) 13.269 13.332 ( 9.821 -8.593 3.450) 13.498 13.973 ( 3.942 8.132 -2.153) 9.290 14.910 ( -9.707 -13.623 15.100) 22.535 16.042 ( -8.067 13.325 18.005) 23.808 17.139 ( -6.278 6.362 -4.349) 9.940 17.479 ( 20.951 13.249 -18.750) 31.081 18.561 ( -9.180 18.795 -15.075) 25.784 20.106 ( 0.351 -0.191 -2.341) 2.375 21.250 ( -1.627 -14.994 3.152) 15.408 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 2.086 5.671 4.524) 7.549 2.558 ( 1.147 -1.365 -6.009) 6.268 2.762 ( 1.741 2.385 1.028) 3.127 3.034 ( 11.286 4.653 0.916) 12.242 3.377 ( -8.124 -5.082 -8.205) 12.615 3.950 ( 2.654 -6.145 8.857) 11.102 4.566 ( -4.537 -13.288 -3.743) 14.532 5.424 ( -8.162 9.152 11.954) 17.125 6.098 ( 6.648 9.257 0.620) 11.414 6.610 ( 5.224 1.228 0.363) 5.379 7.546 ( 0.913 6.267 0.720) 6.374 7.664 ( 4.400 0.304 2.579) 5.109 7.996 ( 7.796 8.860 1.237) 11.866 8.720 ( -3.264 -1.186 -1.911) 3.963 9.202 ( -8.433 -9.849 -0.397) 12.972 9.575 ( 1.582 -2.647 -2.165) 3.768 10.070 ( 6.583 -1.175 1.149) 6.785 10.419 ( 1.078 -3.547 0.612) 3.758 11.207 ( -8.307 12.083 -14.960) 20.948 12.129 ( 5.374 -0.509 -0.286) 5.406 12.898 ( -3.177 -7.066 2.664) 8.193 13.437 ( 10.487 -9.412 4.121) 14.682 13.954 ( -13.736 10.752 -8.785) 19.531 14.739 ( -1.515 -21.796 15.936) 27.043 16.178 ( -5.226 11.970 24.546) 27.805 17.016 ( -12.902 15.594 -12.659) 23.872 17.856 ( 25.158 6.180 -17.770) 31.414 18.568 ( -2.608 17.703 -7.804) 19.522 20.103 ( 0.451 1.570 -1.966) 2.556 21.104 ( -1.970 -14.826 3.428) 15.344 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -2.606 -2.993 -0.824) 4.053 2.631 ( 3.035 7.320 0.440) 7.936 2.827 ( 3.071 4.109 -1.764) 5.424 3.139 ( 0.959 -8.488 -11.108) 14.013 3.241 ( -0.292 1.864 3.439) 3.923 3.995 ( 1.863 -2.178 3.725) 4.699 4.404 ( -1.623 -6.285 0.091) 6.492 5.460 ( -1.461 3.395 9.052) 9.777 6.102 ( -5.582 -10.554 -2.640) 12.228 6.808 ( 10.068 14.282 2.892) 17.712 7.570 ( 2.790 4.322 -1.424) 5.338 7.908 ( 11.294 9.894 1.538) 15.094 8.243 ( 10.139 9.809 1.308) 14.168 8.637 ( -3.687 -2.408 -0.180) 4.407 8.980 ( -7.676 -9.256 0.148) 12.026 9.535 ( -3.970 0.987 -1.742) 4.446 10.131 ( 5.749 -6.105 -1.713) 8.559 10.328 ( -6.793 -7.105 -1.000) 9.881 11.172 ( -1.145 12.920 -9.328) 15.977 12.124 ( -0.353 -6.727 -0.220) 6.740 12.836 ( -2.064 -2.875 3.069) 4.685 13.523 ( 9.693 -12.116 2.761) 15.760 13.691 ( -20.821 7.719 -9.647) 24.210 14.605 ( -0.645 -25.388 15.031) 29.511 16.316 ( -10.161 12.367 21.341) 26.676 16.944 ( -4.696 17.577 -10.422) 20.967 18.166 ( 21.834 0.558 -16.504) 27.375 18.709 ( 2.371 18.720 -2.185) 18.995 20.138 ( 2.112 4.279 -1.479) 4.996 20.951 ( -2.900 -13.969 2.789) 14.537 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -2.106 -3.855 1.062) 4.519 2.759 ( 1.978 8.597 0.397) 8.831 2.856 ( 0.858 -3.086 -2.090) 3.825 3.040 ( -1.506 2.104 -3.486) 4.341 3.258 ( 2.731 -3.047 -2.089) 4.594 3.998 ( 2.320 -2.689 -2.782) 4.511 4.402 ( -1.103 4.983 3.761) 6.339 5.539 ( 4.637 -0.973 5.010) 6.896 5.809 ( -11.335 -15.502 -2.290) 19.340 7.111 ( 9.706 8.793 2.353) 13.306 7.700 ( 5.578 10.199 -2.189) 11.829 8.144 ( 6.850 7.553 -2.337) 10.461 8.417 ( -5.740 10.057 -0.666) 11.599 8.660 ( 10.907 0.992 4.763) 11.943 8.822 ( -0.316 -8.524 2.409) 8.864 9.437 ( -10.000 3.025 -2.017) 10.641 10.100 ( -8.529 -8.471 -2.891) 12.364 10.137 ( 3.746 -6.662 -3.080) 8.240 11.270 ( 4.666 7.177 -4.146) 9.512 12.043 ( -0.939 -5.983 0.836) 6.114 12.793 ( -3.769 0.030 2.351) 4.442 13.392 ( -16.272 4.325 -7.153) 18.293 13.533 ( 5.299 -14.650 0.735) 15.596 14.404 ( -4.354 -25.759 12.513) 28.967 16.297 ( -16.227 14.733 6.807) 22.950 17.076 ( 4.745 11.566 1.614) 12.605 18.383 ( 16.482 -3.035 -8.094) 18.612 18.934 ( 5.017 18.988 -3.391) 19.931 20.239 ( 4.737 7.467 -1.201) 8.924 20.782 ( -4.287 -13.239 1.495) 13.996 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -1.446 -4.714 1.324) 5.105 2.753 ( -3.392 -1.049 1.206) 3.749 2.884 ( -0.291 1.840 -0.115) 1.866 3.073 ( 0.809 7.727 1.885) 7.994 3.274 ( 5.675 -3.856 -6.129) 9.199 4.024 ( 4.665 0.293 -2.934) 5.518 4.445 ( -4.693 8.175 2.528) 9.759 5.484 ( -10.300 -12.267 0.503) 16.026 5.651 ( 9.250 -2.636 -0.685) 9.643 7.256 ( 3.769 -3.170 1.517) 5.153 7.856 ( -2.551 17.132 -3.312) 17.634 8.216 ( -2.944 3.387 -1.432) 4.710 8.336 ( -4.816 -0.304 2.550) 5.458 8.735 ( 2.413 -5.796 1.433) 6.440 9.093 ( 21.777 11.045 5.814) 25.100 9.238 ( -16.598 3.810 -3.572) 17.400 9.896 ( -5.133 -6.486 -4.232) 9.291 10.134 ( 5.225 -6.454 -1.659) 8.468 11.358 ( 5.745 -3.436 -0.972) 6.765 12.040 ( 2.708 2.632 -0.257) 3.784 12.743 ( -4.444 1.098 2.350) 5.145 13.216 ( -6.536 4.382 -2.638) 8.300 13.425 ( -1.582 -15.607 0.635) 15.700 14.163 ( -3.490 -24.790 8.376) 26.399 16.191 ( -16.084 13.907 1.625) 21.324 17.239 ( 3.826 4.309 2.466) 6.268 18.565 ( 11.862 -3.525 3.516) 12.865 19.143 ( 4.973 15.271 -8.519) 18.180 20.402 ( 4.899 9.964 -1.678) 11.230 20.599 ( -3.277 -11.390 0.021) 11.852 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 1.113 -3.730 1.204) 4.075 2.712 ( -3.106 -0.110 3.466) 4.656 2.847 ( -6.519 2.147 4.416) 8.161 3.191 ( 5.468 1.065 0.074) 5.571 3.282 ( 4.403 -2.281 -6.849) 8.455 4.115 ( 5.164 4.955 -2.560) 7.601 4.403 ( -8.122 3.878 0.047) 9.000 5.275 ( -7.968 -3.431 3.351) 9.300 5.811 ( 15.752 -3.209 -3.814) 16.522 7.190 ( -7.957 -5.634 1.403) 9.850 7.815 ( -16.568 10.146 -0.081) 19.428 8.158 ( -7.849 4.540 4.697) 10.211 8.348 ( 4.392 -2.835 1.144) 5.351 8.732 ( 6.336 -8.745 -2.725) 11.138 8.976 ( -16.218 3.583 -4.850) 17.303 9.580 ( 14.176 12.680 8.972) 21.029 9.775 ( 2.350 -1.509 -7.447) 7.953 10.174 ( 7.070 -5.000 -0.566) 8.678 11.405 ( 7.381 -8.031 1.746) 11.046 12.135 ( 3.029 8.985 -6.150) 11.302 12.735 ( 0.776 1.109 4.424) 4.626 13.219 ( -3.694 0.616 -0.857) 3.842 13.261 ( 1.686 -6.727 7.741) 10.393 13.940 ( -0.694 -24.524 3.955) 24.850 16.061 ( -15.958 10.799 1.699) 19.343 17.293 ( 1.267 -1.365 -1.518) 2.402 18.708 ( 3.990 -4.068 11.059) 12.441 19.269 ( 5.248 8.550 -14.691) 17.790 20.344 ( -7.505 -6.530 -0.895) 9.988 20.685 ( 10.090 10.564 -2.639) 14.845 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -13.980 5.146 7.491) 16.674 2.452 ( -4.527 4.172 13.846) 15.153 2.633 ( 0.261 -1.532 -2.887) 3.278 3.088 ( 5.785 -3.177 -8.816) 11.013 3.787 ( 4.580 -6.371 -6.731) 10.338 4.017 ( 3.864 -9.385 5.506) 11.547 4.658 ( 5.527 6.339 -6.210) 10.455 5.641 ( -2.461 5.988 9.197) 11.247 6.143 ( -25.130 13.175 4.255) 28.691 6.306 ( 4.128 -7.234 -0.534) 8.346 7.138 ( -7.237 -1.990 9.144) 11.830 7.711 ( -2.873 7.594 0.239) 8.123 8.346 ( 5.986 8.789 -3.246) 11.118 8.914 ( 4.729 -4.744 -6.978) 9.672 9.046 ( 6.208 -6.658 2.171) 9.358 9.403 ( 7.687 7.533 1.884) 10.926 9.987 ( -14.277 -9.526 1.100) 17.199 10.384 ( -3.528 -8.867 0.013) 9.543 11.098 ( 2.362 8.494 -7.210) 11.389 12.186 ( -5.394 -0.722 -4.523) 7.076 12.857 ( 8.363 -3.259 1.533) 9.105 13.268 ( 12.691 -0.790 8.208) 15.134 13.782 ( -10.676 -9.553 -1.951) 14.459 14.901 ( 18.229 -18.071 19.183) 32.045 16.206 ( 1.867 19.026 12.712) 22.958 16.566 ( -4.548 14.531 -3.542) 15.633 17.871 ( -15.649 -1.181 -12.339) 19.963 18.951 ( -5.476 12.867 -16.764) 21.831 20.083 ( -0.031 0.803 -3.099) 3.202 21.382 ( 1.575 -7.232 -2.932) 7.961 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -0.573 17.021 10.734) 20.131 2.510 ( -0.937 1.797 11.806) 11.979 2.624 ( 0.297 0.582 -0.791) 1.026 3.055 ( 0.864 -4.176 -9.595) 10.500 3.711 ( 1.084 -10.820 -6.529) 12.684 4.004 ( -0.214 -6.301 3.257) 7.096 4.727 ( 4.131 -3.727 -5.053) 7.516 5.689 ( 0.681 -2.665 6.941) 7.466 5.986 ( -20.464 26.930 7.872) 34.727 6.307 ( 5.111 -6.422 -1.450) 8.335 7.135 ( -1.203 3.294 11.905) 12.411 7.749 ( -1.762 9.062 -0.967) 9.283 8.404 ( -5.872 1.947 -5.790) 8.473 8.893 ( -1.670 1.544 -7.890) 8.211 9.095 ( 9.732 -7.425 2.066) 12.414 9.515 ( -0.123 -5.857 1.008) 5.944 9.799 ( -0.689 2.086 7.789) 8.093 10.323 ( 3.199 -7.237 -0.138) 7.914 11.195 ( 5.363 8.573 -8.477) 13.196 12.072 ( -7.109 3.462 -2.634) 8.334 12.979 ( 9.677 -3.322 1.049) 10.285 13.403 ( -7.296 -12.553 0.807) 14.542 13.609 ( 10.475 0.376 3.956) 11.204 15.082 ( 7.907 -14.853 20.195) 26.286 16.248 ( -5.667 8.461 -9.043) 13.619 16.852 ( 5.890 23.399 16.199) 29.062 17.572 ( -12.120 2.824 -15.179) 19.629 18.871 ( -8.036 14.107 -17.952) 24.205 20.084 ( 0.702 1.324 -2.719) 3.105 21.287 ( -0.440 -12.361 -0.511) 12.380 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 9.858 17.350 8.536) 21.704 2.553 ( 0.197 -1.564 0.197) 1.588 2.666 ( 1.255 2.718 9.274) 9.745 2.958 ( -1.984 -1.622 -7.869) 8.276 3.561 ( -2.252 -10.173 -7.889) 13.069 3.941 ( -1.815 -6.471 4.161) 7.904 4.651 ( -0.662 -11.655 -4.969) 12.687 5.700 ( -1.418 -2.755 6.977) 7.634 6.061 ( -10.917 31.731 7.857) 34.464 6.351 ( 8.796 -7.059 -0.405) 11.286 7.281 ( 5.539 5.853 10.893) 13.550 7.811 ( -0.835 9.629 -1.097) 9.727 8.141 ( -17.366 -3.465 -6.017) 18.702 8.824 ( -3.617 1.023 -2.245) 4.378 9.247 ( 13.974 -5.867 -0.927) 15.184 9.397 ( -3.316 -9.799 -1.155) 10.409 9.949 ( 4.533 5.867 6.987) 10.188 10.325 ( 4.126 -5.615 0.085) 6.969 11.304 ( 4.153 8.776 -12.266) 15.643 12.023 ( -2.736 4.636 1.739) 5.657 13.095 ( -1.405 -5.579 0.809) 5.810 13.125 ( 1.682 -10.603 -1.300) 10.814 13.876 ( 13.341 2.666 4.180) 14.232 15.053 ( -8.846 -13.678 16.698) 23.327 16.237 ( 2.360 7.216 -6.239) 9.826 17.228 ( 4.956 17.713 16.432) 24.664 17.390 ( -5.729 8.519 -17.853) 20.594 18.763 ( -8.466 14.016 -17.240) 23.777 20.093 ( 0.309 2.020 -2.401) 3.153 21.154 ( -1.025 -14.479 2.355) 14.705 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 6.661 7.090 4.594) 10.759 2.499 ( -1.248 -0.004 -6.550) 6.668 2.770 ( 1.303 2.367 4.034) 4.856 2.934 ( 3.653 -0.213 -0.622) 3.712 3.392 ( -3.650 -6.174 -5.473) 9.022 3.922 ( 1.706 -2.694 7.653) 8.291 4.468 ( -3.080 -13.076 -5.558) 14.538 5.666 ( -5.760 -0.538 7.861) 9.760 6.203 ( -5.662 12.754 0.967) 13.988 6.483 ( 11.190 4.316 4.008) 12.645 7.520 ( 10.077 7.053 7.426) 14.368 7.737 ( -12.638 -1.897 -3.445) 13.236 7.998 ( 2.422 8.956 -1.172) 9.351 8.771 ( -3.467 1.150 -0.767) 3.732 9.212 ( -5.567 -11.283 -1.503) 12.671 9.389 ( 10.473 -5.292 -3.288) 12.186 10.069 ( 0.673 3.786 4.018) 5.562 10.348 ( 3.921 -5.266 1.848) 6.821 11.318 ( -3.161 10.145 -15.223) 18.565 12.070 ( 2.079 -0.487 4.249) 4.755 12.900 ( -4.556 -6.687 -0.131) 8.093 13.226 ( 9.233 -6.205 1.416) 11.214 14.074 ( 4.701 5.070 -1.898) 7.170 14.775 ( -15.683 -16.820 10.840) 25.424 16.386 ( 6.272 7.413 8.290) 12.768 17.295 ( -8.713 12.932 -13.161) 20.405 17.521 ( 9.703 9.458 0.858) 13.577 18.710 ( -3.156 14.616 -11.693) 18.981 20.107 ( 0.166 3.315 -2.229) 3.998 21.025 ( -1.314 -13.997 4.934) 14.899 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -2.808 -0.475 -3.405) 4.439 2.621 ( 5.659 5.224 0.908) 7.755 2.808 ( 1.174 2.189 -2.131) 3.273 2.955 ( 3.459 -6.333 -6.142) 9.476 3.304 ( -2.165 -1.641 2.721) 3.845 3.998 ( 0.661 -0.613 6.129) 6.195 4.320 ( 2.250 -6.675 -1.759) 7.260 5.613 ( -6.151 1.524 6.861) 9.339 6.091 ( -7.098 -10.301 -2.671) 12.792 6.804 ( 10.345 17.238 4.693) 20.644 7.563 ( -2.908 -1.339 -3.238) 4.554 7.802 ( 12.748 6.916 3.005) 14.811 8.171 ( 8.029 8.570 0.580) 11.758 8.721 ( -4.812 2.633 0.162) 5.488 9.002 ( -6.621 -10.374 -2.012) 12.471 9.458 ( 6.520 -5.282 -2.663) 8.803 10.095 ( -1.434 1.575 0.707) 2.244 10.333 ( -1.730 -7.164 2.931) 7.931 11.268 ( -4.080 11.656 -13.172) 18.056 12.079 ( -0.265 -5.368 3.246) 6.278 12.833 ( 0.047 -2.639 1.046) 2.839 13.301 ( 7.600 -8.386 1.076) 11.369 14.025 ( -16.166 8.189 -9.570) 20.493 14.476 ( -3.851 -22.509 9.877) 24.881 16.623 ( 2.275 7.539 21.435) 22.836 17.169 ( -11.433 14.514 -16.001) 24.441 17.749 ( 16.245 1.533 -9.069) 18.668 18.813 ( 2.952 16.156 -3.551) 16.803 20.143 ( 1.278 5.273 -2.226) 5.864 20.908 ( -2.660 -12.185 6.724) 14.169 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -2.798 0.719 -0.395) 2.915 2.744 ( 5.231 1.783 -0.911) 5.601 2.784 ( 0.110 -6.113 -3.973) 7.292 2.956 ( 6.346 1.880 -6.882) 9.549 3.281 ( -3.223 -0.068 4.820) 5.798 3.963 ( -0.928 -2.853 -0.414) 3.029 4.411 ( 5.917 2.969 4.266) 7.876 5.587 ( -3.942 3.008 5.003) 7.044 5.817 ( -9.413 -14.641 -2.854) 17.638 7.088 ( 5.090 9.875 1.929) 11.276 7.605 ( 10.526 1.363 -2.163) 10.832 8.053 ( 10.126 5.140 -2.532) 11.635 8.425 ( 13.867 8.404 3.167) 16.521 8.665 ( -6.797 3.861 0.252) 7.821 8.807 ( -5.095 -8.771 -0.143) 10.144 9.474 ( 2.391 -3.967 -1.690) 4.930 10.077 ( -1.422 -0.170 -0.653) 1.575 10.181 ( -9.809 -6.888 0.920) 12.021 11.264 ( -0.525 7.203 -8.421) 11.093 12.033 ( -1.440 -3.274 3.333) 4.889 12.831 ( 0.135 -0.286 1.002) 1.051 13.321 ( 5.515 -10.620 -0.394) 11.973 13.688 ( -22.031 2.467 -7.989) 23.564 14.300 ( -1.964 -19.215 4.339) 19.796 16.722 ( -13.804 8.663 12.939) 20.809 17.124 ( 0.996 9.849 -4.002) 10.678 17.979 ( 20.793 -2.588 -10.893) 23.616 19.019 ( 4.270 15.908 0.092) 16.471 20.228 ( 3.836 7.747 -2.497) 8.998 20.784 ( -5.355 -10.016 7.486) 13.603 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -4.997 -0.907 1.044) 5.185 2.719 ( 2.648 -6.156 -1.534) 6.875 2.807 ( 5.092 -3.121 -5.285) 7.974 3.078 ( 7.090 4.974 -2.696) 9.071 3.252 ( -4.313 1.632 3.981) 6.092 3.974 ( 2.280 2.128 0.577) 3.172 4.530 ( 2.301 3.414 1.771) 4.482 5.532 ( -7.551 -10.280 -0.957) 12.791 5.597 ( -2.604 3.024 1.958) 4.445 7.176 ( 2.873 -2.019 -0.232) 3.519 7.841 ( 14.784 3.053 -1.081) 15.135 8.178 ( 4.639 1.297 -2.648) 5.497 8.505 ( -11.465 0.504 -3.182) 11.909 8.701 ( -3.170 -3.120 1.347) 4.647 8.860 ( 23.064 11.131 6.277) 26.368 9.427 ( -4.686 -2.151 -0.852) 5.226 9.944 ( -10.753 -5.388 -2.313) 12.248 10.054 ( -0.753 -0.796 0.486) 1.199 11.260 ( 1.010 -1.525 -3.834) 4.248 12.047 ( 1.192 3.802 2.761) 4.847 12.832 ( -2.284 1.713 1.461) 3.207 13.270 ( 1.777 -12.547 -2.160) 12.855 13.372 ( -12.679 1.184 -4.468) 13.495 14.082 ( -6.004 -17.080 0.820) 18.123 16.579 ( -16.600 9.296 0.533) 19.033 17.230 ( 2.503 1.060 4.754) 5.477 18.246 ( 21.330 -3.151 -4.577) 22.042 19.202 ( 1.824 12.409 -0.793) 12.567 20.385 ( 7.229 10.886 -3.204) 13.454 20.633 ( -8.562 -7.792 7.183) 13.624 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -2.699 -1.267 0.435) 3.014 2.726 ( 2.134 -3.338 2.221) 4.541 2.805 ( 5.191 -7.625 -4.683) 10.344 3.183 ( 0.565 -0.721 -2.351) 2.524 3.247 ( -0.630 7.697 4.270) 8.825 4.054 ( 3.906 3.307 -0.230) 5.123 4.539 ( -4.149 0.060 -0.376) 4.166 5.399 ( -2.851 1.386 0.871) 3.287 5.614 ( 1.670 1.411 -0.197) 2.195 7.178 ( 1.892 -5.295 0.392) 5.636 8.055 ( 6.144 4.396 -2.509) 7.960 8.181 ( -0.163 -11.534 1.950) 11.699 8.333 ( -5.292 3.191 -0.736) 6.223 8.611 ( -4.639 -4.791 1.106) 6.760 9.230 ( -11.927 1.156 -1.743) 12.109 9.452 ( 24.194 15.943 2.241) 29.061 9.738 ( -7.537 -5.488 -1.018) 9.379 10.055 ( 2.319 -2.374 0.357) 3.338 11.257 ( 4.096 -3.516 -0.045) 5.398 12.148 ( 2.635 7.805 -0.777) 8.274 12.793 ( -4.071 0.308 3.039) 5.090 13.132 ( -0.477 -14.134 -2.715) 14.400 13.312 ( 0.311 8.243 0.134) 8.250 13.827 ( -6.476 -16.422 0.250) 17.654 16.397 ( -14.932 6.167 -1.470) 16.222 17.249 ( -0.033 -4.888 1.916) 5.250 18.518 ( 16.954 -4.077 1.188) 17.478 19.281 ( -1.922 7.367 -3.204) 8.260 20.457 ( -10.562 -4.664 6.041) 13.031 20.614 ( 9.864 13.228 -4.521) 17.109 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -10.406 4.041 6.117) 12.729 2.615 ( -2.689 -1.928 -0.358) 3.328 2.637 ( -2.435 4.493 7.323) 8.930 2.926 ( 6.615 -0.826 -6.789) 9.515 3.624 ( 2.070 -7.591 -4.818) 9.226 3.892 ( 5.592 -3.637 3.761) 7.658 4.611 ( 2.204 5.044 -7.199) 9.063 5.735 ( -4.887 -1.982 3.104) 6.120 6.047 ( 11.943 -12.339 -1.538) 17.240 6.787 ( -24.922 18.637 5.913) 31.676 7.264 ( -3.797 -1.435 6.959) 8.056 7.817 ( -1.612 7.159 -1.347) 7.461 8.361 ( 1.992 11.876 -2.611) 12.322 8.729 ( 6.619 -7.190 -0.678) 9.797 8.907 ( 6.440 -4.624 1.834) 8.138 9.385 ( 4.804 7.266 0.324) 8.716 10.024 ( 0.498 -4.529 -0.540) 4.588 10.454 ( -16.626 -13.026 -0.456) 21.126 11.117 ( -1.026 6.960 -6.207) 9.382 12.195 ( -0.677 -2.320 -2.072) 3.183 12.766 ( 3.368 0.866 2.334) 4.189 13.113 ( 10.527 -1.311 7.244) 12.846 13.842 ( -9.362 -10.537 -0.789) 14.117 14.464 ( 23.536 -20.097 12.725) 33.463 16.319 ( 7.881 12.185 8.181) 16.659 16.876 ( -8.315 19.379 10.657) 23.627 17.998 ( -12.528 -4.377 -15.271) 20.232 19.056 ( -5.131 10.563 -9.608) 15.173 20.095 ( -2.046 1.423 -2.091) 3.253 21.276 ( 1.063 -5.740 -5.689) 8.151 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -3.947 11.731 7.832) 14.647 2.581 ( -2.051 1.387 2.415) 3.459 2.683 ( -1.179 2.867 6.878) 7.544 2.958 ( 2.585 0.150 -7.221) 7.671 3.538 ( 1.941 -11.545 -4.859) 12.676 3.951 ( 2.464 -2.741 1.849) 4.123 4.630 ( 1.502 -0.895 -6.014) 6.263 5.657 ( -1.150 -5.598 2.401) 6.198 6.088 ( 9.366 -12.619 -2.174) 15.865 6.656 ( -21.747 26.123 8.038) 34.927 7.268 ( -2.990 3.570 10.120) 11.140 7.858 ( -2.142 9.165 -0.552) 9.428 8.474 ( -1.007 8.838 -5.303) 10.356 8.784 ( 8.306 -0.295 -4.811) 9.603 8.960 ( 3.974 -5.409 1.111) 6.803 9.496 ( 0.539 0.226 -0.278) 0.647 9.910 ( -8.286 -2.543 5.572) 10.304 10.192 ( 0.722 -12.291 1.614) 12.417 11.164 ( 2.695 7.017 -5.855) 9.528 12.145 ( -2.147 -1.219 -1.127) 2.714 12.853 ( 5.063 0.713 1.527) 5.337 13.329 ( 9.616 -4.210 7.406) 12.847 13.540 ( -7.289 -10.841 -2.453) 13.292 14.760 ( 23.389 -16.998 12.910) 31.665 16.370 ( -8.585 3.918 -4.635) 10.514 17.165 ( 1.953 26.634 22.671) 35.030 17.682 ( -11.654 0.089 -18.511) 21.875 19.004 ( -6.400 10.830 -12.664) 17.850 20.088 ( -0.357 3.111 -1.663) 3.546 21.173 ( -0.392 -11.281 -3.613) 11.852 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 4.002 12.326 6.997) 14.728 2.581 ( -2.591 2.489 1.904) 4.066 2.739 ( -0.239 3.010 8.530) 9.049 2.934 ( -0.865 1.259 -6.817) 6.986 3.426 ( 0.888 -11.283 -4.807) 12.296 3.935 ( -1.148 -3.395 1.502) 3.885 4.556 ( -2.222 -6.865 -5.185) 8.886 5.653 ( 3.612 -3.100 2.722) 5.483 6.103 ( 9.372 -13.495 -1.479) 16.496 6.658 ( -17.209 30.196 8.682) 35.823 7.343 ( 0.621 4.244 10.200) 11.065 7.914 ( -1.574 9.937 -0.126) 10.062 8.352 ( -14.596 0.089 -6.934) 16.160 8.863 ( -1.034 3.492 -5.793) 6.843 9.013 ( 10.611 -3.229 1.590) 11.205 9.365 ( -5.891 -10.085 0.158) 11.681 9.963 ( 4.846 4.378 8.049) 10.365 10.169 ( 6.115 -9.178 0.085) 11.029 11.258 ( 4.263 8.144 -6.635) 11.336 12.101 ( -2.200 -0.195 0.733) 2.327 12.947 ( 6.319 -1.809 -0.351) 6.583 13.158 ( -9.937 -10.486 -1.105) 14.489 13.679 ( 15.686 -0.561 5.866) 16.756 14.987 ( 12.992 -17.058 14.300) 25.773 16.200 ( -6.177 2.421 -13.576) 15.110 17.447 ( -7.424 4.468 -18.092) 20.060 17.561 ( -0.730 24.695 25.978) 35.850 18.904 ( -7.849 9.822 -15.297) 19.801 20.112 ( -0.318 4.480 -1.367) 4.695 21.038 ( -0.006 -13.896 -0.263) 13.899 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 6.088 4.967 3.641) 8.660 2.546 ( -5.316 3.646 -1.685) 6.663 2.816 ( -0.227 2.136 6.924) 7.250 2.897 ( -0.632 0.803 -4.883) 4.989 3.325 ( 0.596 -7.238 -2.132) 7.569 3.926 ( 1.189 0.195 5.273) 5.409 4.391 ( -4.717 -9.171 -5.657) 11.763 5.701 ( 1.624 -1.851 3.673) 4.422 6.124 ( 9.148 -14.033 -1.460) 16.815 6.740 ( -11.924 28.024 8.170) 31.532 7.478 ( 6.263 2.628 6.961) 9.725 7.924 ( -12.106 1.413 -3.276) 12.621 8.085 ( -6.622 5.854 -1.505) 8.966 8.828 ( -2.358 1.756 -1.535) 3.317 9.145 ( 2.471 -8.634 0.906) 9.026 9.211 ( 2.762 -2.842 -4.366) 5.896 10.102 ( 2.022 2.510 2.999) 4.403 10.213 ( 7.922 -6.442 3.796) 10.893 11.344 ( 1.202 9.355 -9.531) 13.409 12.084 ( -0.701 -1.560 3.546) 3.937 12.907 ( -3.859 -7.043 -2.826) 8.513 13.065 ( 4.959 -1.912 0.410) 5.330 13.937 ( 13.405 -1.019 3.105) 13.798 14.933 ( -10.319 -15.926 10.259) 21.573 16.195 ( 14.553 0.826 -11.722) 18.705 17.313 ( -3.756 6.592 -18.222) 19.738 17.841 ( -9.470 19.744 24.860) 33.129 18.803 ( -3.742 10.200 -14.246) 17.917 20.141 ( -0.774 5.589 -1.509) 5.841 20.929 ( 0.962 -13.430 3.967) 14.036 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -4.778 2.173 -0.723) 5.298 2.567 ( 5.752 3.142 -0.416) 6.567 2.812 ( -2.241 -2.309 -0.660) 3.285 2.858 ( -0.199 -1.537 -5.369) 5.588 3.315 ( 1.399 -0.728 4.938) 5.184 4.013 ( 0.811 -1.046 5.243) 5.408 4.236 ( 0.438 -2.954 -2.385) 3.821 5.702 ( -1.443 -1.993 3.453) 4.240 6.061 ( -1.858 -11.943 -1.590) 12.191 6.910 ( 0.537 19.876 6.563) 20.938 7.602 ( -4.462 -6.207 -2.606) 8.076 7.698 ( 3.014 2.916 1.005) 4.312 8.175 ( 2.773 9.852 1.561) 10.353 8.809 ( -2.262 3.352 -0.394) 4.063 8.975 ( -4.703 -11.181 -3.372) 12.590 9.305 ( 6.331 -0.397 -1.419) 6.500 10.117 ( 0.273 -0.834 -2.626) 2.769 10.300 ( 2.648 -4.119 8.385) 9.710 11.357 ( -3.098 10.217 -11.002) 15.330 12.073 ( -0.853 -3.317 4.408) 5.582 12.818 ( -0.847 -1.831 -1.049) 2.274 13.130 ( 6.379 -4.401 -1.107) 7.829 14.098 ( 7.134 -0.914 -2.329) 7.560 14.552 ( -21.649 -14.686 2.709) 26.300 16.493 ( 24.824 -1.328 -1.460) 24.902 17.222 ( -2.467 5.547 -17.629) 18.645 17.875 ( -16.550 11.932 13.941) 24.711 18.869 ( 4.396 13.966 -4.771) 15.399 20.177 ( -0.322 6.769 -2.118) 7.100 20.865 ( 0.509 -11.076 8.063) 13.710 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( -2.882 4.494 -0.828) 5.403 2.663 ( 3.879 -1.584 -0.315) 4.202 2.700 ( -1.802 -8.876 -4.991) 10.341 2.858 ( 4.133 2.764 -4.763) 6.885 3.368 ( -1.774 2.658 7.455) 8.111 3.940 ( -0.906 -4.330 -1.897) 4.813 4.366 ( 6.840 4.679 5.859) 10.148 5.663 ( -1.555 -5.313 0.795) 5.592 5.865 ( -10.299 -3.811 -0.125) 10.982 7.141 ( 3.733 9.812 3.985) 11.229 7.426 ( 1.582 -10.232 -3.615) 10.967 7.894 ( 12.438 2.902 -1.871) 12.908 8.347 ( 7.221 8.040 4.415) 11.674 8.784 ( -5.319 -7.641 -4.572) 10.372 8.808 ( -2.760 4.645 -0.075) 5.404 9.372 ( 4.093 -1.568 -0.300) 4.393 10.082 ( -1.024 -1.723 -3.693) 4.201 10.288 ( -5.364 -3.890 8.401) 10.699 11.326 ( -4.253 8.215 -9.070) 12.956 12.060 ( -1.054 -0.412 4.496) 4.636 12.813 ( 1.279 0.165 -0.678) 1.457 13.164 ( 4.581 -5.630 -1.687) 7.452 14.032 ( -23.693 1.059 -6.752) 24.659 14.152 ( 1.339 -16.096 -1.494) 16.221 16.817 ( 15.053 -5.102 -4.511) 16.522 17.169 ( -0.172 6.085 -1.232) 6.211 17.791 ( -6.281 5.602 0.823) 8.457 19.085 ( 5.468 14.643 1.709) 15.723 20.239 ( 1.699 8.210 -3.252) 8.993 20.821 ( -2.185 -7.967 10.989) 13.748 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -6.354 3.000 0.436) 7.040 2.570 ( 3.894 -10.427 -4.563) 12.029 2.679 ( 2.369 -3.502 -2.706) 5.020 2.971 ( 8.258 2.542 -2.722) 9.059 3.376 ( -4.367 3.525 5.414) 7.798 3.968 ( 3.643 3.492 1.995) 5.426 4.508 ( 3.442 1.791 3.031) 4.924 5.515 ( -4.770 -11.291 -3.392) 12.718 5.765 ( -7.248 9.598 3.177) 12.440 7.148 ( -3.166 -3.173 -1.163) 4.631 7.503 ( 18.417 -13.811 0.127) 23.021 8.080 ( 8.446 1.931 -2.318) 8.969 8.613 ( -4.021 -1.654 -4.813) 6.486 8.651 ( 15.379 9.816 4.433) 18.776 8.790 ( -4.533 3.518 0.095) 5.738 9.400 ( 1.503 -3.072 0.699) 3.490 10.004 ( -3.987 -3.778 -2.221) 5.925 10.180 ( -9.477 -0.400 6.163) 11.312 11.270 ( -4.177 3.465 -5.029) 7.399 12.098 ( 0.112 4.791 4.308) 6.444 12.845 ( 2.024 1.237 -0.578) 2.442 13.151 ( 1.315 -5.449 -2.140) 6.000 13.597 ( -19.982 -5.237 -3.584) 20.966 14.020 ( -3.327 -8.276 -8.348) 12.216 16.761 ( -3.409 -4.634 -14.980) 16.047 17.294 ( -2.304 1.257 18.842) 19.024 17.877 ( 16.044 1.919 -6.565) 17.441 19.286 ( 2.174 11.286 3.101) 11.904 20.354 ( 5.359 9.778 -4.774) 12.129 20.761 ( -6.511 -4.261 11.848) 14.175 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -5.969 -2.573 -1.421) 6.654 2.584 ( 7.707 -7.259 -2.086) 10.791 2.664 ( 1.716 -4.754 -0.316) 5.064 3.110 ( 7.565 1.531 -1.719) 7.908 3.381 ( -3.631 5.987 4.353) 8.245 4.067 ( 0.471 3.891 3.593) 5.317 4.546 ( 0.548 -0.744 -1.078) 1.420 5.366 ( -0.269 -4.285 -4.263) 6.050 5.781 ( -7.033 12.511 3.616) 14.801 7.081 ( 2.250 -7.130 -0.466) 7.491 7.660 ( 21.046 -21.380 0.360) 30.003 8.139 ( 0.845 -4.942 0.226) 5.019 8.494 ( -7.016 6.328 -5.107) 10.740 8.721 ( -7.244 2.172 0.719) 7.597 9.142 ( 26.639 11.729 -0.392) 29.109 9.350 ( -4.368 -4.877 1.982) 6.841 9.863 ( -8.613 -2.799 3.515) 9.715 10.085 ( -5.776 1.509 1.908) 6.267 11.227 ( -1.377 2.603 -1.161) 3.166 12.189 ( 1.496 6.676 3.649) 7.754 12.861 ( -1.632 -0.352 -0.266) 1.691 13.043 ( -5.754 -8.267 -4.102) 10.875 13.381 ( -2.076 4.467 -0.327) 4.937 13.808 ( -7.195 -7.783 -8.404) 13.526 16.550 ( -6.663 -6.205 -12.420) 15.400 17.287 ( -6.518 -3.370 12.346) 14.362 18.185 ( 21.015 0.070 -1.677) 21.082 19.383 ( -2.435 6.553 3.127) 7.659 20.514 ( 5.777 4.968 -3.159) 8.248 20.685 ( -7.432 5.382 7.102) 11.604 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -7.629 4.572 6.386) 10.949 2.532 ( 8.069 -7.050 2.301) 10.959 2.730 ( -3.260 -2.357 -2.251) 4.610 2.840 ( 3.379 8.062 -2.580) 9.114 3.553 ( -3.686 -6.807 -1.765) 7.940 3.855 ( 1.429 5.385 1.611) 5.800 4.597 ( 0.011 3.661 -6.449) 7.415 5.671 ( 13.365 -10.444 -1.638) 17.041 5.874 ( -9.401 -4.857 1.185) 10.647 7.200 ( -7.123 -2.516 3.144) 8.182 7.317 ( 2.335 9.950 0.842) 10.255 7.847 ( 4.486 7.531 -1.302) 8.862 8.448 ( -0.665 9.237 0.084) 9.261 8.638 ( -2.420 -5.802 4.589) 7.783 8.780 ( 6.499 -0.568 0.487) 6.542 9.380 ( 2.240 4.690 -0.545) 5.226 9.977 ( 0.857 -1.358 1.507) 2.202 10.549 ( -8.962 -10.757 -5.832) 15.167 11.209 ( -8.107 2.898 -2.848) 9.068 12.190 ( -3.087 0.595 -3.470) 4.682 12.764 ( 1.285 2.421 2.006) 3.396 13.012 ( 5.794 0.159 6.677) 8.842 13.853 ( 5.273 -5.799 7.442) 10.809 14.009 ( 7.594 -24.840 3.650) 26.230 16.290 ( 14.803 9.288 11.233) 20.775 17.228 ( -5.445 17.587 11.650) 21.787 18.009 ( -7.914 -8.576 -16.402) 20.130 19.226 ( -8.612 10.745 -4.074) 14.361 20.152 ( -4.070 1.437 0.779) 4.386 21.182 ( 0.111 -3.979 -8.819) 9.676 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -5.379 5.663 5.674) 9.654 2.613 ( 3.095 0.757 2.645) 4.141 2.707 ( 2.503 -1.214 2.194) 3.542 2.929 ( 1.071 6.857 -3.663) 7.848 3.427 ( -2.332 -7.609 -2.446) 8.326 3.928 ( 0.928 3.328 0.738) 3.534 4.588 ( 0.137 0.768 -5.273) 5.331 5.677 ( -6.298 -3.676 -0.164) 7.294 5.773 ( 11.698 -15.351 -0.553) 19.308 7.108 ( -7.656 7.011 2.177) 10.607 7.444 ( -4.269 14.941 6.191) 16.727 7.962 ( 0.320 8.906 0.678) 8.938 8.536 ( -1.074 5.592 -2.100) 6.069 8.638 ( 8.007 -0.132 1.338) 8.119 8.863 ( 3.846 0.352 -2.082) 4.388 9.468 ( 3.778 1.996 -1.209) 4.440 9.986 ( 0.582 -1.255 1.800) 2.270 10.190 ( -15.382 -15.382 1.897) 21.836 11.170 ( 0.014 4.245 -2.610) 4.983 12.137 ( -1.196 -1.184 -2.605) 3.102 12.830 ( 2.129 3.110 1.127) 3.934 13.175 ( 10.146 -1.711 7.616) 12.801 13.560 ( -11.196 -16.173 -1.518) 19.729 14.268 ( 24.947 -14.818 7.890) 30.070 16.495 ( -2.263 0.690 6.221) 6.656 17.469 ( 1.450 17.856 20.102) 26.926 17.727 ( -6.939 2.615 -22.269) 23.471 19.160 ( -8.346 9.963 -7.044) 14.783 20.139 ( -2.017 4.652 1.366) 5.251 21.058 ( -1.378 -10.055 -7.071) 12.369 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 1.161 3.542 4.035) 5.493 2.673 ( -0.935 4.869 4.142) 6.460 2.781 ( 3.151 1.197 4.183) 5.372 2.960 ( -2.101 6.554 -3.471) 7.709 3.314 ( -1.175 -7.408 -2.543) 7.920 3.939 ( -1.219 -0.072 0.419) 1.291 4.540 ( -3.287 -1.366 -4.119) 5.444 5.598 ( 0.931 -2.395 1.425) 2.938 5.801 ( 9.995 -15.465 -1.636) 18.486 7.122 ( -5.297 15.007 2.615) 16.127 7.502 ( -9.109 11.123 8.579) 16.742 8.037 ( -1.655 8.858 2.044) 9.240 8.485 ( -5.602 -0.816 -4.683) 7.347 8.840 ( 10.451 -0.570 1.592) 10.587 8.883 ( 0.114 9.117 -7.083) 11.546 9.407 ( -8.761 -8.962 0.182) 12.534 9.963 ( 0.936 -5.734 6.635) 8.819 10.017 ( 3.194 -2.990 1.210) 4.539 11.239 ( 3.874 6.049 -1.765) 7.397 12.097 ( -0.335 -2.262 -1.847) 2.939 12.878 ( 1.432 0.210 -1.502) 2.086 13.217 ( -8.075 -8.792 2.219) 12.143 13.449 ( 13.920 -3.490 4.457) 15.026 14.553 ( 24.566 -16.839 4.910) 30.186 16.343 ( -14.564 -2.257 -2.962) 15.033 17.459 ( -3.946 -1.851 -12.940) 13.654 17.921 ( 3.347 27.323 17.688) 32.721 19.049 ( -9.910 7.594 -10.187) 16.113 20.176 ( -1.530 6.929 1.297) 7.214 20.900 ( -0.126 -13.372 -3.873) 13.923 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 5.132 -0.055 1.663) 5.395 2.689 ( -6.049 5.292 1.465) 8.170 2.843 ( 0.917 -1.072 2.776) 3.114 2.953 ( -4.478 6.395 -1.843) 8.021 3.247 ( 1.524 -3.906 0.422) 4.214 3.941 ( 0.837 1.338 3.729) 4.049 4.401 ( -7.654 -3.918 -4.578) 9.741 5.658 ( 4.023 -1.125 2.436) 4.836 5.814 ( 11.533 -13.111 -1.500) 17.526 7.212 ( -8.389 21.087 3.274) 22.930 7.467 ( -4.404 -1.596 6.356) 7.896 8.084 ( -5.206 5.671 0.202) 7.700 8.280 ( -12.928 0.879 -2.961) 13.292 8.843 ( 0.401 -1.445 -1.888) 2.411 9.067 ( 4.062 6.084 0.431) 7.328 9.166 ( -4.999 -7.500 -2.271) 9.295 10.005 ( 6.867 -8.087 -0.358) 10.616 10.118 ( 5.847 3.402 6.744) 9.552 11.360 ( 3.277 8.887 -2.809) 9.880 12.069 ( 0.852 -3.567 0.498) 3.701 12.847 ( -0.027 -4.587 -4.407) 6.361 13.072 ( -4.720 -0.707 1.373) 4.966 13.695 ( 15.952 -3.908 3.297) 16.751 14.767 ( 17.136 -18.133 4.163) 25.294 16.062 ( -9.177 -2.022 -10.970) 14.445 17.337 ( -3.437 2.893 -12.345) 13.137 18.298 ( -2.599 23.554 24.613) 34.167 18.881 ( -8.512 5.226 -13.849) 17.075 20.220 ( -2.111 7.648 0.508) 7.950 20.790 ( 2.911 -13.095 1.134) 13.463 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 6.957 -0.728 1.694) 7.197 2.602 ( -7.960 2.713 -2.531) 8.782 2.798 ( -2.939 -5.800 -1.357) 6.642 2.901 ( -5.470 4.308 -3.680) 7.875 3.322 ( 3.802 4.059 7.380) 9.241 4.012 ( 0.415 -1.981 3.996) 4.479 4.236 ( -3.237 0.426 -1.849) 3.752 5.652 ( 2.404 -10.307 -0.538) 10.597 5.938 ( 8.229 0.137 1.850) 8.435 7.193 ( -13.590 8.914 4.828) 16.954 7.491 ( 7.556 -2.923 -0.067) 8.102 7.838 ( -16.766 -4.198 -2.842) 17.516 8.273 ( -0.918 10.543 3.185) 11.052 8.819 ( -0.164 -4.615 -1.613) 4.892 8.945 ( -4.075 -5.977 -2.049) 7.519 9.258 ( 3.178 9.036 -1.247) 9.659 10.028 ( 4.823 -5.249 -2.571) 7.578 10.276 ( 4.882 0.804 8.334) 9.692 11.442 ( -1.625 10.317 -5.216) 11.674 12.065 ( 1.370 -3.535 3.233) 4.983 12.797 ( 0.756 -1.436 -2.988) 3.400 13.037 ( 0.256 -0.480 -1.399) 1.501 13.882 ( 12.460 -6.486 -2.026) 14.193 14.718 ( -7.831 -13.639 1.550) 15.804 16.019 ( 17.213 -4.917 -12.875) 22.050 17.254 ( -3.595 4.279 -8.663) 10.309 18.390 ( -21.880 11.076 14.036) 28.256 18.879 ( 6.749 13.066 -3.455) 15.107 20.255 ( -2.128 7.630 -0.695) 7.952 20.767 ( 4.638 -10.380 7.019) 13.361 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -4.023 -0.741 -4.510) 6.089 2.577 ( 6.100 -0.820 3.085) 6.885 2.653 ( -4.795 -6.677 -4.691) 9.464 2.852 ( -3.104 5.015 -3.037) 6.634 3.470 ( 0.562 6.754 9.558) 11.717 3.901 ( -2.408 -6.300 -3.021) 7.390 4.352 ( 5.765 6.682 6.266) 10.824 5.568 ( 1.341 -12.230 -2.760) 12.609 6.021 ( -4.209 7.302 2.751) 8.865 7.096 ( 1.574 -11.130 3.118) 11.665 7.445 ( -11.954 -3.633 -3.328) 12.929 7.720 ( 8.749 0.704 -1.350) 8.881 8.388 ( 1.110 8.892 4.942) 10.233 8.715 ( -0.511 -10.048 -3.131) 10.537 8.896 ( -2.149 5.741 -3.356) 6.989 9.352 ( 0.489 5.912 0.252) 5.938 10.030 ( 2.296 -3.365 -2.951) 5.030 10.357 ( -0.478 -1.669 8.787) 8.957 11.443 ( -5.466 9.194 -5.547) 12.048 12.091 ( 1.265 0.404 4.831) 5.011 12.801 ( 0.573 1.490 -1.592) 2.255 13.048 ( 3.659 -1.716 -2.847) 4.943 13.933 ( 6.852 -10.983 -8.074) 15.256 14.368 ( -21.826 -4.380 -2.627) 22.416 16.271 ( 28.718 -11.220 -14.609) 34.118 17.227 ( -0.594 4.981 0.140) 5.018 18.134 ( -22.173 4.540 4.060) 22.994 19.143 ( 6.381 15.422 4.832) 17.375 20.291 ( -0.912 7.777 -2.513) 8.224 20.810 ( 3.348 -6.916 12.102) 14.335 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 0.734 -13.740 -7.326) 15.588 2.528 ( -4.820 3.341 -1.955) 6.182 2.644 ( 1.284 -1.904 3.409) 4.111 2.872 ( 2.676 3.545 -2.639) 5.167 3.514 ( -4.958 3.547 5.951) 8.519 3.930 ( 6.900 4.520 1.409) 8.368 4.508 ( 2.560 3.628 4.928) 6.633 5.441 ( -1.342 -10.260 -4.777) 11.397 6.009 ( -8.495 11.775 3.078) 14.842 7.059 ( 11.813 -25.954 -0.357) 28.518 7.212 ( -8.145 -4.311 -0.306) 9.221 7.907 ( 12.658 0.681 -2.743) 12.969 8.545 ( 7.645 4.285 7.387) 11.462 8.625 ( -0.926 -1.301 -5.156) 5.398 8.895 ( -3.292 7.328 -4.515) 9.215 9.391 ( -0.773 2.369 1.250) 2.788 10.004 ( -0.667 -2.655 -1.127) 2.961 10.332 ( -5.873 -2.372 7.966) 10.177 11.387 ( -7.097 6.749 -3.377) 10.359 12.169 ( 1.012 5.219 5.921) 7.957 12.820 ( 1.250 2.136 -2.140) 3.272 13.080 ( 3.164 -0.468 -2.158) 3.858 13.761 ( -8.942 -14.251 -7.260) 18.323 14.029 ( -13.411 3.005 -9.696) 16.820 16.435 ( 17.322 -15.046 -19.204) 29.920 17.379 ( 8.825 3.828 14.474) 17.379 17.868 ( -14.607 2.408 -1.760) 14.909 19.379 ( 2.810 12.511 5.465) 13.939 20.348 ( 2.002 7.907 -5.084) 9.611 20.864 ( -0.732 -2.815 14.518) 14.807 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 2.086 -15.530 -6.959) 17.145 2.502 ( -2.571 -0.073 2.759) 3.772 2.632 ( -0.558 -3.572 1.374) 3.868 2.981 ( 8.159 4.847 -1.968) 9.692 3.513 ( -3.601 5.001 3.905) 7.296 4.110 ( 4.074 6.142 4.587) 8.681 4.545 ( -1.362 1.068 0.040) 1.732 5.311 ( -1.403 -4.817 -6.014) 7.832 6.031 ( -6.169 14.239 3.467) 15.900 6.940 ( 4.996 -21.586 -2.824) 22.336 7.165 ( 11.072 -17.367 3.379) 20.872 8.038 ( 6.530 -5.043 -0.733) 8.283 8.592 ( -2.405 5.116 -5.740) 8.056 8.771 ( 8.323 -3.184 3.132) 9.446 8.927 ( 5.412 14.535 -4.693) 16.204 9.383 ( -2.205 -1.237 3.215) 4.090 9.954 ( -3.359 -2.415 4.483) 6.100 10.237 ( -8.280 -0.108 4.719) 9.531 11.324 ( -5.919 5.873 -0.602) 8.360 12.267 ( 0.117 6.188 6.776) 9.177 12.847 ( 0.995 0.853 -2.457) 2.785 13.086 ( -4.193 0.325 -3.509) 5.477 13.463 ( -7.463 -2.941 -1.772) 8.215 13.821 ( -8.041 0.369 -14.456) 16.546 16.359 ( 5.534 -16.052 -17.356) 24.280 17.511 ( -11.518 -2.697 18.594) 22.038 17.869 ( 17.649 3.770 -4.179) 18.525 19.511 ( -2.042 8.201 5.595) 10.135 20.442 ( 5.430 6.146 -6.794) 10.650 20.890 ( -5.477 3.013 12.216) 13.723 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 15.041 -7.863 4.102) 17.461 2.452 ( -5.363 3.433 6.149) 8.852 2.720 ( 2.342 -0.899 -4.678) 5.308 2.869 ( -3.673 2.607 -1.942) 4.905 3.578 ( -5.972 -3.868 -1.510) 7.273 3.950 ( -2.362 11.354 -0.774) 11.623 4.597 ( -1.317 0.806 -5.353) 5.571 5.376 ( 10.385 -8.456 2.402) 13.606 6.052 ( -14.846 -0.725 -1.602) 14.949 7.036 ( 22.427 -6.888 2.099) 23.555 7.249 ( 5.879 -4.466 -4.314) 8.551 7.866 ( 6.412 11.270 2.023) 13.124 8.531 ( -2.350 1.164 4.703) 5.384 8.660 ( 2.493 4.731 -5.118) 7.403 8.799 ( -7.903 1.361 6.909) 10.585 9.405 ( -1.838 1.838 -0.402) 2.630 9.990 ( -1.056 0.874 0.503) 1.460 10.478 ( 0.042 -8.376 -8.930) 12.244 11.363 ( -10.666 -1.727 -0.513) 10.818 12.275 ( -6.910 4.476 -6.795) 10.675 12.783 ( -0.300 1.759 2.123) 2.773 13.018 ( -0.016 3.228 5.399) 6.290 13.580 ( 16.223 -7.395 13.620) 22.436 13.937 ( -11.312 -18.944 1.379) 22.108 16.152 ( 20.276 6.806 13.473) 25.278 17.480 ( 0.159 16.864 5.661) 17.789 17.932 ( -6.248 -13.762 -12.320) 19.499 19.455 ( -10.314 8.879 -2.979) 13.932 20.260 ( -5.089 2.450 4.853) 7.447 21.099 ( -0.592 -1.949 -12.565) 12.729 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -3.732 -4.745 4.638) 7.613 2.506 ( 9.828 2.605 2.467) 10.462 2.678 ( 0.423 0.004 -2.016) 2.059 2.951 ( 3.664 6.815 -0.325) 7.744 3.441 ( -6.135 -2.772 -2.074) 7.044 3.997 ( -2.687 8.084 -1.308) 8.619 4.564 ( 0.389 -0.318 -3.573) 3.608 5.465 ( 10.113 -11.101 2.208) 15.178 5.808 ( -12.930 -1.012 -1.751) 13.088 7.133 ( 3.039 -4.631 1.056) 5.639 7.515 ( 17.911 9.905 -1.615) 20.531 8.045 ( 1.498 10.570 1.820) 10.830 8.530 ( 0.084 -6.596 4.384) 7.921 8.665 ( -6.095 9.549 2.743) 11.656 8.827 ( 4.310 6.636 -3.435) 8.626 9.419 ( 2.377 0.677 -1.636) 2.964 9.974 ( -0.698 -2.046 1.183) 2.464 10.272 ( -9.025 -11.741 -4.424) 15.456 11.221 ( -5.052 -0.154 0.568) 5.086 12.173 ( -5.322 2.566 -4.644) 7.515 12.832 ( 1.797 2.789 1.073) 3.487 13.088 ( 3.799 -0.741 5.348) 6.602 13.553 ( -7.018 -19.368 0.908) 20.621 13.874 ( 13.908 -8.056 9.343) 18.590 16.498 ( 8.521 -1.473 13.567) 16.089 17.614 ( -7.206 -11.065 -5.121) 14.163 17.755 ( 5.821 23.669 -4.026) 24.704 19.354 ( -9.246 7.285 -4.554) 12.621 20.263 ( -4.151 7.503 5.571) 10.226 20.956 ( -2.776 -8.356 -10.656) 13.823 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -1.595 -3.796 1.692) 4.452 2.690 ( 7.040 2.984 3.300) 8.328 2.735 ( 4.879 1.976 1.031) 5.364 3.050 ( -0.342 8.189 0.650) 8.222 3.309 ( -5.499 -3.040 -2.374) 6.717 3.990 ( -3.378 3.397 -1.256) 4.952 4.560 ( -0.456 0.987 -1.853) 2.149 5.512 ( 7.909 -11.847 1.039) 14.282 5.628 ( -6.269 -1.154 -1.315) 6.508 7.175 ( 4.056 1.185 0.265) 4.234 7.806 ( 0.243 15.758 2.642) 15.980 8.138 ( -0.613 7.271 2.096) 7.592 8.461 ( 0.438 -8.863 1.690) 9.033 8.706 ( 2.901 -1.642 0.877) 3.447 8.971 ( 1.643 20.310 -6.291) 21.326 9.424 ( -1.349 -5.618 -0.667) 5.816 9.911 ( -3.157 -10.520 1.172) 11.046 10.043 ( -4.146 -1.436 2.131) 4.878 11.217 ( 2.828 1.783 1.176) 3.544 12.100 ( -3.528 1.453 -3.407) 5.115 12.865 ( -0.334 0.083 -1.988) 2.017 13.204 ( 10.067 -3.993 5.544) 12.166 13.312 ( -6.681 -8.468 1.930) 10.958 14.068 ( 18.639 -13.748 2.767) 23.325 16.511 ( -9.021 -6.255 5.639) 12.341 17.399 ( -1.565 -5.300 -11.665) 12.908 18.127 ( 9.144 23.514 8.656) 26.673 19.235 ( -10.165 5.358 -4.742) 12.431 20.315 ( -4.013 10.706 4.720) 12.369 20.763 ( -1.902 -12.499 -7.651) 14.778 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 3.311 -3.308 -0.129) 4.682 2.777 ( 0.300 0.375 -1.420) 1.499 2.845 ( 1.812 3.090 3.983) 5.357 3.093 ( -4.730 7.592 0.169) 8.946 3.210 ( 0.113 -2.418 0.676) 2.513 3.980 ( -1.082 3.703 2.156) 4.420 4.490 ( -7.648 -1.328 -2.672) 8.209 5.506 ( 5.534 -13.123 -1.798) 14.355 5.628 ( 5.951 3.629 1.935) 7.234 7.271 ( 5.601 1.435 -0.019) 5.782 7.786 ( -17.699 8.049 4.607) 19.982 8.193 ( -1.771 4.551 1.461) 5.098 8.389 ( -3.243 -3.586 -3.867) 6.191 8.749 ( 6.962 -4.059 -0.263) 8.063 9.139 ( -3.445 6.144 1.264) 7.156 9.232 ( -8.409 3.434 -3.117) 9.603 9.841 ( 4.354 -7.557 1.832) 8.912 10.092 ( 4.750 2.972 3.153) 6.429 11.341 ( 7.269 4.820 0.994) 8.779 12.047 ( -2.334 0.059 -0.975) 2.530 12.805 ( -1.865 -2.797 -4.437) 5.567 13.175 ( -6.815 0.430 1.972) 7.108 13.409 ( 15.755 -5.991 2.216) 17.000 14.256 ( 22.647 -16.432 -2.350) 28.079 16.226 ( -17.477 -6.335 -3.048) 18.838 17.321 ( 0.141 -0.249 -7.041) 7.047 18.537 ( 10.121 19.603 10.034) 24.236 19.065 ( -14.251 3.874 -2.464) 14.973 20.363 ( -5.047 9.649 2.749) 11.230 20.622 ( 2.914 -11.434 -2.337) 12.029 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 7.050 -1.766 -0.645) 7.297 2.705 ( -5.512 -2.194 -3.487) 6.881 2.809 ( -5.737 -4.248 -2.467) 7.553 3.049 ( -6.813 8.110 -0.867) 10.628 3.332 ( 7.042 5.089 8.343) 12.045 4.028 ( -1.312 0.785 3.523) 3.840 4.313 ( -7.011 -0.475 -1.489) 7.183 5.450 ( 5.293 -14.220 -2.745) 15.419 5.856 ( 10.571 9.941 3.772) 14.993 7.320 ( 1.340 -12.358 -0.055) 12.430 7.548 ( -15.764 5.834 1.475) 16.874 8.041 ( -14.972 -5.334 -3.294) 16.231 8.379 ( 1.692 7.143 0.668) 7.371 8.781 ( -3.177 -6.522 2.008) 7.528 8.938 ( -2.535 -6.321 0.131) 6.812 9.362 ( -0.955 19.869 -3.111) 20.134 9.874 ( 6.059 -6.208 0.654) 8.699 10.241 ( 6.495 3.103 4.608) 8.547 11.505 ( 4.457 8.034 -1.073) 9.250 12.026 ( 0.158 -1.199 2.871) 3.115 12.751 ( 0.723 -0.067 -4.125) 4.189 13.092 ( -5.823 1.889 -0.443) 6.138 13.581 ( 14.053 -8.307 -4.935) 17.054 14.451 ( 20.650 -14.911 -3.653) 25.731 15.889 ( -11.959 -5.571 -7.034) 14.951 17.291 ( -1.479 2.145 -3.928) 4.713 18.783 ( -7.943 0.229 -12.411) 14.737 18.948 ( -1.851 18.865 20.564) 27.968 20.365 ( -3.222 3.994 1.444) 5.331 20.630 ( 5.694 -4.549 4.206) 8.414 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 5.785 -2.067 -3.358) 7.001 2.537 ( -6.278 -7.879 -4.016) 10.846 2.658 ( -3.473 -2.397 -4.183) 5.942 3.018 ( -8.048 9.870 1.435) 12.815 3.555 ( 6.128 8.277 9.066) 13.720 3.890 ( -7.622 -8.045 -1.567) 11.193 4.371 ( 4.512 7.516 5.581) 10.392 5.388 ( 4.294 -12.374 -3.262) 13.498 6.123 ( 5.590 12.582 3.736) 14.265 7.013 ( -10.557 -25.063 0.566) 27.202 7.517 ( 0.393 1.785 -4.193) 4.574 7.723 ( -13.359 -5.643 -0.626) 14.516 8.500 ( 1.520 10.152 1.521) 10.377 8.613 ( -3.308 -12.169 1.985) 12.766 8.941 ( 0.357 4.581 -2.918) 5.443 9.469 ( -3.708 14.005 -1.564) 14.572 9.918 ( 5.460 -4.791 -0.201) 7.267 10.373 ( 3.257 1.161 5.772) 6.728 11.586 ( -2.999 9.200 -2.845) 10.086 12.074 ( 3.528 -0.001 6.224) 7.154 12.784 ( 3.065 2.605 -1.669) 4.355 13.024 ( -3.204 1.826 -2.427) 4.415 13.640 ( 10.401 -9.088 -13.794) 19.521 14.512 ( -0.091 -8.020 -2.088) 8.288 15.743 ( 9.995 -9.859 -10.645) 17.619 17.278 ( -1.127 3.357 -0.334) 3.557 18.494 ( -18.246 -0.862 -4.089) 18.718 19.246 ( 4.013 16.770 11.202) 20.562 20.365 ( -1.548 3.108 0.431) 3.499 20.741 ( 6.345 -1.919 10.386) 12.321 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -6.129 -14.804 -9.378) 18.565 2.512 ( 6.203 -4.395 -5.382) 9.315 2.620 ( -1.599 -0.081 1.969) 2.538 2.997 ( -7.391 10.598 2.906) 13.244 3.667 ( -6.966 1.946 5.659) 9.184 3.846 ( 9.831 3.901 1.468) 10.678 4.541 ( 3.048 6.268 5.810) 9.074 5.320 ( 2.035 -8.657 -4.515) 9.974 6.264 ( -5.622 13.570 2.482) 14.897 6.667 ( 2.004 -32.563 0.639) 32.631 7.331 ( -12.868 -6.582 -2.381) 14.648 7.689 ( 9.936 -3.035 -2.838) 10.769 8.510 ( 0.680 -8.474 4.626) 9.678 8.624 ( 1.760 9.894 -1.211) 10.122 8.972 ( -0.839 7.355 -4.375) 8.598 9.488 ( -5.220 7.707 -0.884) 9.350 9.953 ( 3.475 -3.473 0.940) 5.002 10.418 ( -2.031 -0.884 6.143) 6.531 11.564 ( -7.429 8.141 -1.717) 11.154 12.201 ( 4.879 2.794 8.252) 9.985 12.831 ( -0.160 3.556 -1.599) 3.903 13.026 ( 2.570 2.865 -1.971) 4.324 13.600 ( 4.780 -5.886 -18.349) 19.854 14.293 ( -17.657 -1.740 -2.550) 17.924 15.849 ( 22.792 -15.466 -13.883) 30.844 17.345 ( 5.088 3.943 4.444) 7.822 18.166 ( -19.448 -1.730 -0.694) 19.537 19.492 ( 2.502 13.941 7.152) 15.867 20.373 ( -0.595 3.538 -2.645) 4.457 20.896 ( 4.761 -0.197 15.000) 15.738 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.105 -19.031 -8.433) 20.816 2.502 ( 2.911 -17.553 1.483) 17.855 2.606 ( -1.214 7.238 -1.272) 7.449 3.029 ( -3.350 12.805 2.392) 13.450 3.628 ( -3.508 3.101 3.563) 5.884 4.085 ( 9.534 6.642 3.515) 12.140 4.608 ( -3.054 3.237 1.680) 4.757 5.247 ( 0.148 -3.738 -6.260) 7.293 6.259 ( -5.137 5.306 3.250) 8.069 6.492 ( 8.868 -28.112 -0.078) 29.477 7.093 ( -6.972 -7.870 1.412) 10.608 7.822 ( 12.388 -5.844 -3.578) 14.156 8.516 ( 6.082 -6.282 -0.239) 8.747 8.731 ( 0.827 9.697 0.179) 9.734 9.008 ( -0.812 10.175 -4.116) 11.006 9.447 ( -4.680 1.570 0.008) 4.936 9.978 ( 1.114 -2.810 5.744) 6.491 10.374 ( -5.882 -0.465 4.816) 7.617 11.498 ( -8.340 6.415 0.320) 10.527 12.342 ( 2.806 2.962 9.455) 10.298 12.849 ( -0.508 4.801 -2.894) 5.629 13.108 ( 2.528 5.208 -1.815) 6.067 13.489 ( -2.277 -0.281 -13.561) 13.753 13.966 ( -17.545 0.750 -7.445) 19.074 15.934 ( 15.737 -17.874 -14.484) 27.873 17.580 ( 15.042 3.219 8.942) 17.793 17.848 ( -17.396 -2.906 0.615) 17.647 19.654 ( -0.951 10.449 5.831) 12.004 20.387 ( 2.052 3.142 -6.540) 7.540 21.035 ( 0.126 2.814 14.682) 14.949 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 0.000 26.348) 26.348 1.316 ( 0.000 -0.000 26.348) 26.348 2.731 ( 0.000 -0.000 29.786) 29.786 3.317 ( 0.000 -0.000 15.411) 15.411 3.739 ( -0.000 0.000 -16.746) 16.746 3.739 ( -0.000 0.000 -16.746) 16.746 5.088 ( 0.000 0.000 -0.301) 0.301 5.088 ( 0.000 0.000 -0.301) 0.301 6.265 ( -0.000 0.000 -6.075) 6.075 6.809 ( -0.000 0.000 -14.663) 14.663 7.077 ( 0.000 0.000 5.147) 5.147 7.077 ( 0.000 0.000 5.147) 5.147 8.470 ( 0.000 0.000 5.946) 5.946 8.470 ( 0.000 -0.000 5.946) 5.946 9.523 ( 0.000 -0.000 5.090) 5.090 9.523 ( 0.000 -0.000 5.090) 5.090 9.874 ( 0.000 -0.000 4.582) 4.582 10.519 ( -0.000 0.000 -7.753) 7.753 11.139 ( -0.000 0.000 -14.828) 14.828 11.139 ( -0.000 0.000 -14.828) 14.828 13.507 ( 0.000 -0.000 2.659) 2.659 13.648 ( 0.000 0.000 2.765) 2.765 13.648 ( 0.000 -0.000 2.765) 2.765 15.033 ( 0.000 0.000 16.187) 16.187 15.033 ( 0.000 -0.000 16.187) 16.187 17.421 ( -0.000 0.000 -9.554) 9.554 17.421 ( -0.000 0.000 -9.554) 9.554 17.430 ( 0.000 -0.000 1.601) 1.601 20.217 ( -0.000 0.000 -1.993) 1.993 21.727 ( 0.000 -0.000 1.518) 1.518 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -6.537 15.169 23.220) 28.496 1.873 ( 22.538 6.504 23.608) 33.281 2.838 ( -1.167 -1.022 4.828) 5.071 3.447 ( -2.696 -1.290 -5.185) 5.985 3.492 ( 3.858 -3.152 21.270) 21.845 3.821 ( 6.906 2.191 -15.830) 17.409 4.955 ( -7.875 -6.959 0.618) 10.527 5.190 ( 3.858 6.235 -2.662) 7.800 6.249 ( -2.601 -2.768 -5.340) 6.553 6.364 ( -15.741 -10.983 -0.800) 19.210 7.062 ( -4.568 8.431 6.025) 11.325 7.309 ( 10.215 2.873 3.097) 11.054 8.457 ( 1.776 -13.160 3.983) 13.864 8.696 ( 9.458 13.771 -4.023) 17.183 9.516 ( -1.199 -4.550 3.453) 5.836 9.557 ( -4.954 1.875 4.318) 6.834 9.894 ( -1.026 6.355 5.345) 8.367 10.459 ( -1.260 1.633 -6.185) 6.520 10.984 ( 1.105 -7.213 -13.139) 15.029 11.465 ( 25.410 19.530 -19.563) 37.548 13.457 ( -12.009 -2.044 2.955) 12.535 13.520 ( 0.183 -8.590 3.653) 9.336 13.750 ( 0.438 4.782 1.696) 5.093 15.077 ( 4.221 1.582 15.635) 16.272 15.329 ( 12.009 1.972 17.689) 21.471 16.949 ( -19.443 -11.473 -9.410) 24.458 17.517 ( 1.739 16.455 -8.769) 18.727 17.853 ( 30.233 4.083 -8.745) 31.736 20.187 ( -1.757 -0.865 -2.011) 2.806 21.686 ( -3.922 -2.642 1.245) 4.889 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -0.272 23.163 15.809) 28.045 2.293 ( 7.844 4.177 21.145) 22.937 2.755 ( -5.395 -1.179 -4.460) 7.099 3.244 ( -2.383 -7.091 -14.504) 16.320 3.820 ( 4.663 -3.413 -14.487) 15.597 3.938 ( 18.297 6.507 27.810) 33.919 4.726 ( -11.303 -9.560 1.183) 14.851 5.275 ( 4.587 2.987 -1.979) 5.821 6.008 ( -6.458 -2.872 3.466) 7.872 6.361 ( 2.807 5.055 -2.397) 6.259 7.139 ( -1.586 10.217 7.252) 12.629 7.485 ( 6.769 2.830 2.439) 7.732 8.340 ( -1.691 -13.626 0.972) 13.764 8.870 ( 6.483 4.272 -7.427) 10.744 9.393 ( -9.628 -4.169 0.478) 10.503 9.457 ( -6.212 -6.962 4.573) 10.391 10.048 ( -0.298 19.552 3.202) 19.815 10.449 ( 0.563 1.863 -2.757) 3.374 10.899 ( 4.506 -6.480 -10.131) 12.843 11.889 ( 17.956 16.066 -16.332) 29.108 13.215 ( -13.413 -7.297 3.767) 15.727 13.450 ( -4.264 -6.434 3.838) 8.620 13.810 ( 0.907 5.911 0.986) 6.061 15.315 ( 5.012 7.558 17.200) 19.445 15.606 ( 14.030 -11.882 21.790) 28.510 16.518 ( -14.002 -4.523 -16.791) 22.326 17.676 ( 4.417 17.793 -8.775) 20.324 18.283 ( 26.989 2.948 -15.292) 31.160 20.129 ( -2.626 -1.054 -2.000) 3.465 21.583 ( -5.181 -4.181 -0.244) 6.662 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 1.938 20.209 9.324) 22.340 2.482 ( 2.051 1.177 14.773) 14.962 2.658 ( -2.833 1.540 -3.995) 5.134 3.086 ( -3.584 -4.050 -7.738) 9.440 3.748 ( 1.077 -6.030 -11.640) 13.153 4.255 ( -2.971 5.062 8.489) 10.320 4.481 ( -3.140 -13.171 -1.224) 13.595 5.466 ( 16.086 -1.773 8.898) 18.468 6.083 ( 7.413 13.247 1.630) 15.267 6.403 ( -2.781 3.395 -0.329) 4.400 7.263 ( -0.398 9.856 8.020) 12.713 7.612 ( 5.359 2.658 0.972) 6.060 8.205 ( -0.011 -9.704 -2.598) 10.046 8.914 ( 1.434 0.182 -7.328) 7.469 9.199 ( -10.652 -2.183 1.366) 10.959 9.316 ( -3.310 -10.721 5.412) 12.457 10.184 ( -5.231 15.017 -2.599) 16.113 10.488 ( 1.675 6.130 1.140) 6.456 10.889 ( 6.921 -5.119 -7.899) 11.683 12.137 ( 7.709 8.846 -7.920) 14.156 12.971 ( -11.424 -5.895 3.502) 13.324 13.319 ( -6.447 -7.367 3.959) 10.560 13.897 ( 1.337 7.219 0.696) 7.375 15.345 ( -21.917 -2.221 20.559) 30.132 15.856 ( 21.704 -18.648 18.446) 34.045 16.357 ( 5.644 7.623 -14.686) 17.483 17.872 ( 4.738 18.869 -9.071) 21.466 18.581 ( 19.794 0.796 -16.200) 25.591 20.077 ( -1.439 0.002 -1.821) 2.321 21.449 ( -5.135 -4.960 -2.671) 7.623 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 2.345 14.508 6.420) 16.038 2.582 ( 3.962 -2.631 6.961) 8.431 2.657 ( -0.059 5.735 -1.515) 5.932 2.949 ( -6.402 -2.566 -3.589) 7.775 3.629 ( -1.430 -5.384 -8.098) 9.830 4.112 ( -15.733 0.788 5.889) 16.817 4.411 ( 7.190 -8.708 -8.536) 14.156 5.711 ( 8.947 -1.144 6.371) 11.043 6.218 ( -9.497 -4.366 -0.064) 10.452 6.560 ( 19.132 18.295 3.253) 26.671 7.380 ( -1.333 7.401 7.914) 10.917 7.721 ( 4.042 3.851 -1.488) 5.778 8.165 ( 5.792 -3.794 -3.603) 7.806 8.830 ( -5.821 -2.002 -3.210) 6.942 9.038 ( -9.523 -1.372 2.838) 10.031 9.252 ( 3.211 -8.731 3.372) 9.895 10.130 ( -7.565 2.224 -2.034) 8.143 10.611 ( 1.492 10.095 -1.834) 10.368 10.942 ( 8.489 0.413 -5.256) 9.993 12.216 ( 0.144 2.134 -2.737) 3.473 12.806 ( -5.867 -3.470 3.252) 7.553 13.169 ( -6.369 -6.923 3.440) 10.017 13.974 ( -0.359 5.024 1.882) 5.377 14.943 ( -30.760 -5.799 12.370) 33.657 16.063 ( 14.198 -19.882 12.973) 27.662 16.615 ( 17.810 9.149 1.290) 20.064 18.048 ( 1.431 18.778 -9.401) 21.049 18.775 ( 15.486 0.486 -12.422) 19.859 20.075 ( 1.110 2.189 -1.267) 2.761 21.304 ( -4.195 -5.220 -5.494) 8.662 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 2.350 9.374 6.707) 11.763 2.627 ( 1.955 -3.720 1.277) 4.392 2.714 ( 0.261 2.861 0.554) 2.926 2.794 ( -6.922 -0.848 -2.107) 7.285 3.559 ( 2.800 -1.217 -6.557) 7.233 3.935 ( -11.287 1.477 5.557) 12.667 4.423 ( 8.301 -4.999 -9.129) 13.313 5.783 ( -4.149 -2.155 -1.931) 5.059 5.988 ( -7.197 -3.143 3.608) 8.642 7.047 ( 18.332 12.230 -0.131) 22.037 7.411 ( -6.720 3.253 6.808) 10.104 7.756 ( -0.438 -0.442 -3.486) 3.541 8.273 ( 9.945 1.133 -1.994) 10.206 8.739 ( -2.422 0.339 3.622) 4.370 8.879 ( -10.937 -1.556 1.823) 11.196 9.272 ( 5.376 -4.866 0.760) 7.291 10.028 ( -4.427 -1.156 1.167) 4.722 10.626 ( -1.399 0.355 -8.651) 8.770 11.136 ( 9.817 10.552 0.056) 14.413 12.184 ( -1.705 -0.418 -2.456) 3.019 12.752 ( -0.562 -1.988 2.831) 3.505 13.044 ( -4.206 -5.208 3.387) 7.502 13.962 ( -5.190 -6.279 6.394) 10.356 14.513 ( -26.715 6.103 6.079) 28.069 16.103 ( 7.349 -23.396 12.511) 27.530 16.989 ( 16.454 4.852 5.131) 17.906 18.144 ( -4.095 17.535 -7.638) 19.560 18.980 ( 15.965 2.820 -7.709) 17.951 20.138 ( 3.188 4.584 0.002) 5.584 21.161 ( -2.634 -5.458 -8.697) 10.600 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -2.538 0.340 6.617) 7.095 2.555 ( -10.426 0.224 5.946) 12.004 2.648 ( 3.070 -5.850 -3.845) 7.644 2.842 ( 3.737 8.104 -1.620) 9.070 3.614 ( 5.397 4.310 -6.830) 9.713 3.841 ( -4.330 -0.739 3.755) 5.779 4.473 ( 7.764 -2.232 -7.703) 11.163 5.533 ( -13.077 -8.385 1.069) 15.571 6.055 ( 6.062 8.306 -0.968) 10.328 7.147 ( -12.537 -8.560 -2.546) 15.393 7.384 ( -4.425 8.008 3.740) 9.884 7.706 ( 1.699 -5.548 -0.221) 5.807 8.442 ( 9.545 2.955 -0.790) 10.024 8.689 ( -9.302 -3.601 -0.417) 9.983 8.816 ( 3.476 5.156 6.126) 8.729 9.350 ( 6.073 1.703 0.440) 6.322 9.987 ( -0.705 -1.941 1.981) 2.862 10.518 ( -3.190 -2.302 -9.962) 10.711 11.381 ( 6.619 11.136 1.539) 13.046 12.171 ( 3.287 0.082 -4.878) 5.883 12.770 ( 1.919 0.076 2.144) 2.878 12.991 ( 0.034 -2.987 3.653) 4.719 13.755 ( -11.813 -15.119 13.206) 23.293 14.327 ( -14.931 17.047 1.968) 22.747 16.020 ( 2.159 -26.281 13.311) 29.539 17.243 ( 10.520 -0.148 0.858) 10.556 18.172 ( -8.171 17.100 -2.825) 19.162 19.240 ( 16.302 4.735 -5.486) 17.840 20.253 ( 4.200 5.813 1.926) 7.425 21.021 ( -0.906 -5.976 -12.506) 13.890 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 15.418 4.654 23.471) 28.465 1.992 ( -6.208 22.164 23.244) 32.712 2.843 ( 0.438 -4.556 0.110) 4.578 3.316 ( -3.397 -10.804 -18.773) 21.925 3.677 ( -1.352 2.929 31.977) 32.140 3.743 ( -1.442 9.923 -12.350) 15.908 5.030 ( -5.282 -2.778 0.827) 6.025 5.115 ( 6.374 -0.112 -2.016) 6.686 6.212 ( -0.987 -4.659 -6.510) 8.066 6.349 ( -0.595 -13.907 -2.836) 14.206 7.138 ( 9.122 2.395 5.561) 10.949 7.310 ( -3.590 10.457 3.654) 11.644 8.394 ( -8.177 -10.830 3.442) 14.000 8.701 ( 3.877 9.449 -1.340) 10.301 9.548 ( -2.143 -0.807 3.833) 4.465 9.647 ( 1.743 4.005 4.458) 6.241 9.871 ( 5.874 -5.251 3.708) 8.708 10.417 ( 1.742 -0.128 -6.034) 6.282 11.064 ( -12.421 7.683 -15.856) 21.557 11.248 ( 10.368 26.565 -15.060) 32.249 13.452 ( 0.766 -9.375 3.460) 10.023 13.609 ( -5.643 -2.405 2.770) 6.731 13.728 ( 5.406 1.758 0.547) 5.711 15.100 ( -1.240 -3.960 16.018) 16.547 15.449 ( -2.781 13.889 17.380) 22.421 17.129 ( -18.583 -5.551 -11.328) 22.460 17.260 ( 27.891 -0.951 -7.590) 28.921 17.824 ( -8.238 23.832 -6.662) 26.081 20.178 ( 0.123 -1.693 -1.922) 2.564 21.679 ( -0.322 -7.015 1.558) 7.193 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 2.826 18.100 14.695) 23.485 2.346 ( 8.499 15.144 22.210) 28.194 2.783 ( -2.017 -3.733 -2.086) 4.729 3.054 ( 0.062 -10.133 -19.976) 22.399 3.655 ( -0.373 -2.767 -12.793) 13.094 3.970 ( 6.086 5.430 28.596) 29.736 4.867 ( -11.322 -4.355 3.702) 12.683 5.194 ( 4.807 -1.534 -3.981) 6.427 6.029 ( -2.334 -8.780 -0.449) 9.096 6.367 ( 2.947 8.189 -2.253) 8.990 7.275 ( 0.847 7.351 3.600) 8.229 7.455 ( 4.884 8.854 3.096) 10.575 8.224 ( -0.933 -16.234 3.812) 16.702 8.786 ( 3.020 1.717 -3.763) 5.122 9.468 ( -6.703 -3.489 0.183) 7.559 9.597 ( -9.585 -2.098 4.425) 10.764 10.076 ( 13.989 5.230 1.310) 14.992 10.434 ( 2.194 1.658 -3.968) 4.828 10.870 ( -9.453 8.198 -12.058) 17.377 11.678 ( 18.869 24.392 -15.066) 34.322 13.302 ( -6.650 -13.984 4.917) 16.246 13.553 ( -6.243 3.953 0.760) 7.428 13.786 ( 3.283 -1.642 0.082) 3.672 15.221 ( 10.655 -5.937 16.375) 20.418 15.646 ( -0.258 8.032 21.871) 23.301 16.705 ( -21.058 0.593 -16.225) 26.590 17.639 ( 19.843 9.109 -11.846) 24.840 17.953 ( 6.496 15.477 -6.342) 17.943 20.140 ( -1.413 -1.733 -1.882) 2.922 21.582 ( -2.803 -9.689 1.098) 10.146 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -2.161 18.302 8.120) 20.138 2.574 ( -2.087 1.594 11.482) 11.779 2.697 ( -3.388 0.904 -4.808) 5.951 3.010 ( 6.971 0.102 -5.176) 8.683 3.546 ( 3.570 -7.557 -14.433) 16.678 4.207 ( 5.789 -5.368 11.339) 13.817 4.640 ( -15.116 -3.927 4.905) 16.370 5.280 ( 10.155 -0.147 5.604) 11.600 6.064 ( 7.394 5.712 0.644) 9.366 6.470 ( 0.171 8.101 -1.924) 8.328 7.379 ( 0.600 7.368 4.278) 8.541 7.597 ( 3.224 6.871 1.042) 7.661 8.119 ( 0.864 -9.068 1.532) 9.237 8.808 ( 3.894 -3.257 -4.167) 6.567 9.298 ( -7.945 -6.879 0.278) 10.513 9.431 ( -11.462 -0.575 4.077) 12.179 10.304 ( 5.961 5.758 -5.612) 10.009 10.464 ( 2.677 0.694 0.806) 2.881 10.783 ( -1.936 5.786 -7.735) 9.852 12.036 ( 11.288 14.476 -9.732) 20.777 13.093 ( -8.407 -11.277 5.869) 15.242 13.435 ( -11.385 3.422 -2.569) 12.162 13.857 ( 7.099 -2.713 1.883) 7.829 15.457 ( 17.523 -18.194 17.630) 30.804 15.767 ( -12.385 4.570 25.945) 29.110 16.377 ( -8.894 12.785 -20.584) 25.812 17.922 ( 8.837 19.045 -10.856) 23.636 18.205 ( 16.885 5.218 -9.630) 20.126 20.092 ( -1.542 -0.556 -1.655) 2.329 21.436 ( -3.771 -10.602 -0.495) 11.263 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -1.124 14.061 4.107) 14.691 2.556 ( -0.899 -4.027 2.329) 4.738 2.697 ( 1.083 6.449 -2.003) 6.839 3.035 ( -5.653 1.755 1.954) 6.233 3.487 ( 5.591 -7.073 -11.152) 14.340 4.200 ( 2.897 -9.259 -3.153) 10.201 4.391 ( -15.150 -2.254 4.373) 15.929 5.540 ( 13.889 -1.530 9.738) 17.031 6.252 ( 1.984 -0.833 0.007) 2.152 6.536 ( 5.521 14.508 -0.852) 15.546 7.468 ( 1.327 4.304 3.792) 5.887 7.741 ( 4.023 10.523 0.926) 11.304 8.091 ( -0.161 1.781 -2.259) 2.881 8.806 ( 2.679 -4.784 -3.160) 6.329 9.127 ( -4.560 -8.436 3.282) 10.135 9.284 ( -10.216 1.403 2.884) 10.708 10.262 ( -7.879 1.222 -4.860) 9.337 10.532 ( 6.799 -5.929 -4.464) 10.065 10.862 ( 5.733 10.679 -1.323) 12.193 12.192 ( 3.432 3.460 -4.222) 6.448 12.906 ( -8.225 -6.597 5.108) 11.715 13.260 ( -10.098 0.365 -2.917) 10.517 13.948 ( 5.749 -4.007 1.921) 7.266 15.383 ( -17.517 -22.259 20.055) 34.706 15.773 ( 4.006 1.214 5.429) 6.855 16.510 ( 11.046 16.470 -0.597) 19.840 18.165 ( 3.667 22.530 -7.286) 23.961 18.446 ( 17.362 1.284 -11.318) 20.765 20.078 ( 0.349 1.974 -1.163) 2.317 21.268 ( -3.862 -10.687 -2.825) 11.709 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 0.799 9.205 4.269) 10.179 2.533 ( 1.405 -2.931 0.230) 3.259 2.779 ( 0.890 7.630 -0.614) 7.707 2.918 ( -9.222 -0.952 1.043) 9.330 3.443 ( 3.092 -4.863 -7.286) 9.289 4.173 ( -2.838 -3.244 -4.865) 6.500 4.198 ( -2.270 -0.478 1.754) 2.908 5.734 ( 7.533 -1.856 2.177) 8.058 6.061 ( -10.203 -13.716 1.779) 17.187 6.923 ( 16.256 19.573 -0.652) 25.451 7.526 ( -1.289 1.120 3.128) 3.564 7.857 ( -4.988 12.475 -1.133) 13.483 8.153 ( 6.377 5.771 -2.662) 9.003 8.771 ( -0.739 -2.347 0.997) 2.655 9.052 ( -4.543 -2.610 5.148) 7.345 9.165 ( -2.539 -2.474 -0.347) 3.562 10.106 ( -7.303 -2.683 -0.772) 7.819 10.508 ( 4.094 -8.599 -9.207) 13.247 11.102 ( 9.195 12.658 2.229) 15.803 12.185 ( -1.277 -2.832 -2.173) 3.791 12.782 ( -4.420 -3.747 3.981) 7.031 13.107 ( -6.975 -0.607 -1.665) 7.196 13.955 ( 0.553 -9.644 2.677) 10.024 14.978 ( -22.874 -8.789 11.376) 27.016 15.849 ( 5.733 -10.474 6.295) 13.498 16.871 ( 12.685 12.246 6.572) 18.817 18.347 ( -2.405 20.279 -2.068) 20.525 18.683 ( 18.466 3.602 -11.285) 21.939 20.132 ( 2.989 4.939 -0.495) 5.794 21.088 ( -3.323 -10.789 -5.649) 12.624 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 0.774 -4.638 2.952) 5.552 2.565 ( -0.402 4.863 1.422) 5.082 2.760 ( -10.784 -0.323 3.152) 11.240 2.866 ( 2.339 8.530 -0.250) 8.848 3.458 ( 7.781 -0.833 -7.947) 11.153 4.027 ( -10.578 1.894 2.282) 10.986 4.269 ( 8.573 -0.658 -5.825) 10.385 5.646 ( -11.517 -9.971 -0.214) 15.235 5.956 ( 8.534 -3.813 0.082) 9.348 7.268 ( 1.983 15.211 -3.563) 15.748 7.450 ( -3.807 -6.705 4.193) 8.777 7.818 ( -11.005 10.420 -0.550) 15.165 8.323 ( 8.827 5.382 -2.191) 10.568 8.779 ( -1.437 -0.540 3.094) 3.454 8.908 ( -9.936 1.657 2.228) 10.317 9.238 ( 10.178 0.835 1.021) 10.263 9.995 ( -2.895 -4.528 1.162) 5.499 10.426 ( 2.146 -7.077 -9.244) 11.838 11.371 ( 8.659 10.307 2.759) 13.742 12.117 ( -0.654 -3.477 -3.004) 4.641 12.744 ( 0.714 -2.532 3.237) 4.171 13.021 ( -3.332 0.901 0.489) 3.486 13.813 ( -5.957 -15.565 6.635) 17.937 14.678 ( -14.553 -2.312 6.199) 15.986 15.834 ( 1.388 -13.678 8.307) 16.063 17.153 ( 7.279 6.575 4.263) 10.695 18.450 ( -6.314 17.406 2.770) 18.722 18.968 ( 18.660 6.200 -10.394) 22.241 20.249 ( 4.475 6.901 0.185) 8.227 20.902 ( -2.269 -11.044 -8.852) 14.335 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 3.725 4.017 22.677) 23.330 2.379 ( -4.752 9.630 20.670) 23.293 2.741 ( 3.388 -5.764 -4.671) 8.156 3.192 ( -1.641 -4.866 -16.994) 17.753 3.745 ( -4.152 4.455 -14.855) 16.055 4.022 ( -7.233 7.229 27.265) 29.120 4.916 ( 12.360 -1.281 -0.318) 12.430 5.164 ( -9.452 2.153 1.919) 9.883 6.037 ( 5.015 -12.963 -2.891) 14.196 6.311 ( -0.985 4.228 -2.180) 4.858 7.103 ( 1.900 0.350 10.627) 10.801 7.473 ( -3.995 7.993 1.142) 9.008 8.435 ( -4.215 -8.610 -2.173) 9.830 8.751 ( -3.481 5.797 -2.920) 7.366 9.481 ( 10.258 -6.052 0.750) 11.934 9.642 ( 6.830 5.062 6.246) 10.549 9.796 ( -5.454 -9.600 3.237) 11.506 10.402 ( -1.883 1.056 -2.396) 3.225 11.020 ( 7.373 10.599 -12.867) 18.228 11.566 ( -18.957 19.456 -13.185) 30.196 13.318 ( 8.540 -8.881 3.308) 12.757 13.629 ( -4.803 -9.857 1.444) 11.060 13.670 ( 6.997 4.902 1.878) 8.747 15.262 ( -9.437 -1.769 16.458) 19.054 15.777 ( -8.224 16.076 12.814) 22.142 16.767 ( 27.798 1.605 -5.426) 28.368 17.308 ( -16.848 -2.506 -11.731) 20.682 18.174 ( -13.457 22.105 -12.200) 28.611 20.133 ( 1.688 -2.167 -1.813) 3.291 21.599 ( 2.113 -8.491 0.888) 8.795 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 17.290 12.615 16.990) 27.326 2.558 ( 1.089 11.867 19.725) 23.046 2.702 ( 2.164 -6.751 -4.479) 8.386 2.954 ( -8.108 -4.463 -17.222) 19.551 3.610 ( -4.746 -0.745 -14.480) 15.257 4.115 ( -1.868 -1.688 21.287) 21.435 4.984 ( -1.490 -9.248 -2.476) 9.689 5.134 ( -2.006 11.688 7.820) 14.205 5.945 ( 1.204 -8.250 -2.632) 8.743 6.382 ( 3.467 8.382 -1.826) 9.253 7.272 ( 7.335 4.252 6.997) 10.993 7.530 ( 0.008 10.308 1.007) 10.357 8.171 ( -9.004 -14.729 1.057) 17.295 8.764 ( -0.274 1.244 -1.683) 2.111 9.524 ( -2.841 -4.107 -1.596) 5.242 9.690 ( 0.466 -8.103 3.923) 9.015 9.858 ( 11.241 4.479 2.192) 12.297 10.397 ( 1.149 1.721 -1.278) 2.432 11.041 ( -6.271 9.322 -16.293) 19.791 11.634 ( 6.391 26.431 -7.452) 28.196 13.288 ( -4.747 -12.273 2.951) 13.486 13.520 ( 7.205 -9.207 2.166) 11.890 13.808 ( -1.111 7.335 -1.549) 7.579 15.196 ( -3.933 -7.112 16.465) 18.362 15.895 ( -3.434 13.891 15.367) 20.997 16.961 ( -18.468 3.856 -14.563) 23.833 17.223 ( 27.466 5.867 -7.001) 28.946 18.134 ( -7.657 19.931 -9.176) 23.240 20.119 ( 0.327 -2.148 -1.789) 2.814 21.518 ( -0.901 -12.131 1.891) 12.311 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 5.140 11.091 9.009) 15.185 2.607 ( -0.634 -6.987 -8.147) 10.751 2.723 ( -3.232 -0.082 -5.334) 6.237 2.906 ( 10.159 12.161 10.848) 19.204 3.424 ( -4.954 -5.593 -12.581) 14.633 4.160 ( 1.316 -8.841 12.037) 14.993 4.786 ( -7.988 -11.436 -1.783) 14.063 5.284 ( -0.959 12.016 12.234) 17.175 5.974 ( 7.807 2.915 -1.677) 8.500 6.513 ( 2.994 8.681 -2.522) 9.523 7.434 ( 2.791 6.467 2.864) 7.604 7.627 ( 0.666 6.324 -1.632) 6.565 8.010 ( 3.467 -9.523 5.791) 11.672 8.739 ( -0.771 -1.918 -1.925) 2.824 9.360 ( -7.915 -7.323 -1.551) 10.894 9.612 ( -6.859 -1.860 2.981) 7.706 10.085 ( 13.513 -0.765 -3.462) 13.970 10.448 ( 2.516 1.070 1.468) 3.103 10.916 ( -8.467 10.529 -12.762) 18.585 11.963 ( 10.029 17.428 -6.238) 21.053 13.100 ( -4.487 -12.746 3.587) 13.981 13.606 ( 5.547 -3.403 2.868) 7.111 13.747 ( -8.136 3.816 -5.320) 10.443 15.204 ( 5.926 -16.918 17.263) 24.887 16.091 ( -1.379 12.327 22.452) 25.650 16.630 ( -20.172 13.131 -18.720) 30.492 17.643 ( 24.745 7.378 -13.186) 28.994 18.203 ( -0.613 17.587 -4.684) 18.211 20.091 ( -0.442 -1.091 -1.723) 2.087 21.381 ( -2.747 -13.288 2.024) 13.719 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -1.768 4.860 0.122) 5.173 2.533 ( 1.297 -0.139 -3.710) 3.933 2.714 ( 1.789 5.075 -2.217) 5.820 3.178 ( -3.153 6.522 7.033) 10.097 3.245 ( 5.693 -7.658 -10.815) 14.423 4.118 ( -1.548 -8.657 3.739) 9.556 4.551 ( -8.106 -8.751 0.193) 11.929 5.451 ( 3.786 4.106 12.025) 13.259 6.170 ( 8.082 3.070 -0.655) 8.670 6.587 ( 1.561 9.365 -3.290) 10.048 7.493 ( 0.264 3.128 -0.122) 3.141 7.737 ( 7.168 8.513 -0.548) 11.143 8.116 ( 4.783 4.600 4.038) 7.768 8.698 ( 1.070 -4.484 -0.945) 4.706 9.154 ( -7.308 -8.938 0.367) 11.551 9.494 ( -9.706 2.463 1.693) 10.156 10.206 ( 8.725 -4.250 -7.755) 12.423 10.437 ( -4.464 -4.583 -0.057) 6.398 10.897 ( 1.270 11.805 -4.634) 12.746 12.144 ( 3.723 4.695 -3.896) 7.147 12.961 ( -3.889 -8.701 4.294) 10.453 13.489 ( -16.887 7.438 -6.526) 19.573 13.754 ( 10.363 -10.126 1.252) 14.543 15.207 ( 6.575 -28.539 16.651) 33.689 16.167 ( -21.755 13.851 11.909) 28.407 16.539 ( 4.636 19.879 -4.823) 20.975 18.003 ( 22.890 7.659 -17.064) 29.560 18.364 ( 1.946 16.531 0.032) 16.645 20.080 ( 0.490 1.292 -1.458) 2.009 21.215 ( -4.049 -13.057 1.187) 13.722 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 1.519 -2.805 -1.316) 3.451 2.583 ( 0.318 9.234 0.910) 9.284 2.807 ( 2.980 6.175 -1.131) 6.949 3.035 ( -6.177 -3.055 -4.345) 8.147 3.308 ( 3.134 -3.365 -1.998) 5.014 4.040 ( 0.375 -4.199 -3.170) 5.274 4.389 ( -7.860 -1.159 3.925) 8.862 5.600 ( 7.112 -2.171 5.907) 9.496 6.085 ( -8.483 -14.202 -0.673) 16.556 6.856 ( 13.969 19.187 -1.003) 23.754 7.546 ( 1.865 4.329 -2.021) 5.129 7.952 ( 7.181 11.011 -1.160) 13.197 8.217 ( -3.282 11.015 0.853) 11.525 8.712 ( 5.380 -3.485 1.987) 6.711 9.001 ( -1.293 -9.052 2.846) 9.577 9.358 ( -12.389 3.978 0.084) 13.012 10.181 ( -4.880 -3.433 -4.738) 7.619 10.292 ( 2.299 -11.113 -5.794) 12.742 11.083 ( 8.139 10.799 1.045) 13.563 12.151 ( -0.355 -3.832 -1.673) 4.196 12.853 ( -5.107 -4.627 4.355) 8.152 13.259 ( -13.302 4.752 -6.247) 15.445 13.796 ( 6.875 -12.803 -0.166) 14.533 15.037 ( -2.752 -32.497 13.268) 35.209 16.011 ( -17.136 17.225 1.105) 24.322 16.866 ( 9.818 14.637 9.808) 20.170 18.324 ( 21.954 4.829 -15.844) 27.501 18.551 ( 0.128 18.741 2.293) 18.881 20.124 ( 2.883 4.384 -1.132) 5.367 21.027 ( -5.073 -12.599 -0.441) 13.589 ======================= Grid point 510 (253/294) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 1.049 -6.218 0.273) 6.312 2.686 ( -1.102 9.267 1.562) 9.462 2.860 ( -0.932 0.276 -0.594) 1.139 2.949 ( -2.614 5.690 0.523) 6.284 3.298 ( 4.140 -3.073 -5.622) 7.628 4.023 ( 3.761 -2.462 -5.746) 7.296 4.322 ( -6.835 6.196 4.578) 10.299 5.687 ( 1.087 -4.185 -1.231) 4.496 5.789 ( -3.877 -16.183 1.745) 16.732 7.234 ( 13.274 11.332 0.715) 17.467 7.559 ( -5.797 7.216 -4.448) 10.269 8.081 ( -4.374 10.244 0.116) 11.139 8.269 ( 0.959 7.899 -0.875) 8.005 8.790 ( 1.877 0.522 3.911) 4.370 9.046 ( 12.497 -2.194 3.868) 13.264 9.158 ( -15.629 2.537 -1.915) 15.949 10.010 ( -5.630 -7.079 -1.133) 9.115 10.241 ( 5.479 -7.923 -7.353) 12.118 11.319 ( 9.411 6.676 1.689) 11.661 12.081 ( -1.252 -5.143 -0.847) 5.360 12.771 ( -4.021 -2.104 4.288) 6.244 13.112 ( -6.424 3.994 -3.230) 8.225 13.726 ( 1.128 -15.770 0.016) 15.810 14.733 ( -6.081 -28.242 8.306) 30.059 15.942 ( -11.286 12.001 3.631) 16.869 17.156 ( 5.881 8.182 8.485) 13.173 18.610 ( 17.131 -0.262 -1.903) 17.238 18.735 ( 1.018 22.647 -7.138) 23.767 20.236 ( 4.987 7.077 -1.044) 8.721 20.818 ( -5.491 -12.316 -2.559) 13.726 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -7.318 3.733 17.073) 18.947 2.558 ( -0.323 1.344 14.736) 14.801 2.626 ( 1.735 -2.471 -3.786) 4.843 3.076 ( 1.556 -3.401 -10.520) 11.165 3.734 ( -0.678 1.415 -13.948) 14.036 4.214 ( -1.642 -8.403 11.262) 14.147 4.708 ( 12.233 1.476 -2.098) 12.499 5.506 ( -15.346 20.060 10.548) 27.371 5.894 ( -2.276 -7.595 -2.037) 8.186 6.357 ( -1.586 0.180 0.127) 1.601 7.183 ( -3.743 -1.071 11.768) 12.395 7.596 ( -3.080 6.664 -0.884) 7.394 8.355 ( 5.242 0.189 -4.759) 7.082 8.831 ( -3.797 1.151 -6.189) 7.351 9.253 ( 8.328 -8.521 1.448) 12.003 9.558 ( 10.473 2.391 5.443) 12.043 9.882 ( -11.259 -7.712 2.753) 13.922 10.423 ( -1.188 -2.751 0.991) 3.156 10.965 ( 3.516 10.110 -9.864) 14.556 11.924 ( -15.147 10.088 -6.597) 19.357 13.089 ( 11.121 -7.695 2.470) 13.747 13.552 ( 12.180 2.075 6.160) 13.806 13.677 ( -10.057 -9.822 -2.103) 14.214 15.434 ( 0.803 -10.021 19.578) 22.008 16.056 ( -7.479 8.330 -3.986) 11.883 16.485 ( 14.169 21.099 7.499) 26.498 17.488 ( -16.686 -2.385 -11.996) 20.689 18.479 ( -11.244 17.764 -14.921) 25.780 20.077 ( 1.678 -1.422 -1.504) 2.664 21.473 ( 3.678 -8.296 -1.176) 9.151 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 9.363 13.156 16.881) 23.361 2.592 ( 1.368 -3.907 -4.007) 5.761 2.680 ( 2.002 2.378 12.072) 12.466 2.960 ( -4.238 -2.723 -8.354) 9.755 3.604 ( -4.947 -1.385 -14.592) 15.470 4.165 ( -0.688 -11.548 10.420) 15.569 4.816 ( 5.796 -8.301 -3.998) 10.886 5.532 ( -14.268 26.548 12.949) 32.803 5.832 ( 2.654 -6.026 -2.186) 6.938 6.380 ( 3.071 3.053 -0.148) 4.333 7.262 ( 3.675 2.965 11.142) 12.101 7.627 ( -1.140 9.085 -1.448) 9.270 8.224 ( -11.111 -8.664 -4.266) 14.721 8.789 ( -1.596 1.729 -1.930) 3.043 9.354 ( 12.770 -6.758 -1.641) 14.541 9.590 ( -2.081 -11.023 0.306) 11.222 9.870 ( 3.278 6.957 7.476) 10.725 10.400 ( 0.115 -1.685 1.299) 2.131 11.051 ( 2.519 9.929 -14.187) 17.498 11.835 ( -6.787 16.867 -1.876) 18.278 13.211 ( 8.965 -6.816 3.299) 11.735 13.367 ( -7.058 -15.013 -2.397) 16.761 13.817 ( 8.631 5.752 3.133) 10.835 15.367 ( -11.578 -8.611 17.868) 22.967 16.070 ( 3.387 8.363 -2.607) 9.392 16.922 ( 13.135 16.634 -3.148) 21.427 17.204 ( -12.214 4.878 -3.972) 13.739 18.387 ( -9.869 17.027 -13.203) 23.699 20.080 ( 1.105 -1.322 -1.414) 2.229 21.412 ( 1.045 -12.362 0.968) 12.444 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 11.479 10.580 7.709) 17.410 2.515 ( -2.312 -4.240 -7.745) 9.128 2.735 ( -1.505 0.370 -3.336) 3.678 2.950 ( 4.322 3.414 11.411) 12.671 3.418 ( -5.973 -2.159 -11.646) 13.265 4.111 ( 0.930 -11.478 9.373) 14.848 4.700 ( -1.833 -14.849 -5.418) 15.912 5.640 ( -12.529 17.382 15.857) 26.656 5.877 ( 7.115 7.917 -3.451) 11.190 6.488 ( 6.043 3.167 -1.449) 6.974 7.440 ( 6.313 5.586 6.537) 10.667 7.685 ( -2.631 6.728 -3.830) 8.177 7.960 ( -5.034 -7.155 2.414) 9.075 8.758 ( -2.591 0.060 -0.452) 2.631 9.376 ( -3.917 -7.787 -4.112) 9.638 9.522 ( 9.225 -10.236 -0.266) 13.782 10.004 ( 1.072 5.733 3.581) 6.844 10.422 ( 2.764 -0.940 3.131) 4.281 11.036 ( -4.563 10.133 -15.887) 19.388 11.978 ( 4.129 13.933 0.453) 14.538 13.078 ( -6.133 -12.111 0.714) 13.594 13.372 ( 12.205 -8.639 1.354) 15.015 13.933 ( -3.471 8.005 -2.172) 8.991 15.166 ( -9.027 -16.131 15.326) 24.012 16.262 ( 6.913 11.399 7.365) 15.230 16.935 ( -10.591 12.956 -21.108) 26.937 17.348 ( 10.566 10.763 4.897) 15.857 18.363 ( -3.657 16.421 -8.521) 18.858 20.073 ( 0.301 -0.506 -1.521) 1.631 21.303 ( -0.976 -13.581 3.062) 13.956 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -0.924 -1.648 -11.328) 11.484 2.519 ( 4.451 6.791 3.939) 9.025 2.718 ( 0.661 3.476 -2.808) 4.517 3.069 ( 3.118 -6.675 -2.294) 7.716 3.312 ( -2.827 3.158 3.508) 5.501 4.096 ( 0.266 -6.672 7.788) 10.259 4.497 ( -1.317 -13.346 -3.940) 13.977 5.623 ( -8.819 3.944 10.729) 14.437 6.099 ( 5.440 9.599 -0.087) 11.033 6.592 ( 5.120 6.075 -2.848) 8.440 7.538 ( -4.404 1.894 -1.804) 5.122 7.681 ( 7.712 6.280 -0.612) 9.964 8.053 ( 9.329 4.229 5.410) 11.583 8.704 ( -3.641 -0.506 0.140) 3.679 9.180 ( -6.770 -9.667 -2.094) 11.987 9.551 ( 3.346 -5.861 -0.970) 6.818 10.058 ( 1.432 2.071 -2.247) 3.375 10.457 ( -0.946 -3.877 3.099) 5.053 10.976 ( -3.113 11.453 -11.163) 16.293 12.124 ( 2.351 3.822 -0.284) 4.497 12.935 ( -1.244 -7.937 1.262) 8.133 13.481 ( 11.177 -10.242 0.914) 15.187 13.818 ( -16.775 8.861 -6.578) 20.079 14.988 ( -0.254 -24.979 13.325) 28.312 16.562 ( 5.994 12.529 19.359) 23.826 16.742 ( -17.114 19.280 -18.195) 31.555 17.628 ( 17.201 5.721 -9.803) 20.608 18.486 ( 2.517 17.166 -1.519) 17.416 20.072 ( 0.623 1.355 -1.628) 2.207 21.170 ( -3.088 -12.807 4.409) 13.892 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 1.504 -0.121 -6.166) 6.348 2.639 ( 2.404 7.156 -0.199) 7.552 2.790 ( 4.190 4.303 -0.807) 6.060 2.967 ( 0.220 -7.298 -9.033) 11.615 3.324 ( -3.170 -0.875 6.151) 6.975 4.030 ( -3.801 -4.584 -0.095) 5.956 4.434 ( 1.965 -3.535 3.703) 5.484 5.592 ( -3.013 0.147 6.261) 6.950 6.069 ( -5.885 -12.083 -1.149) 13.489 6.829 ( 10.356 18.383 -0.751) 21.113 7.525 ( 2.811 3.348 -4.147) 6.025 7.900 ( 9.283 9.562 -2.118) 13.494 8.290 ( 8.693 7.809 4.261) 12.438 8.651 ( -1.513 -1.131 2.009) 2.757 8.985 ( -5.375 -9.734 0.139) 11.120 9.516 ( -2.947 -1.148 -0.675) 3.234 10.074 ( 2.606 -1.159 -4.599) 5.412 10.307 ( -10.432 -7.127 -2.193) 12.823 11.062 ( 5.173 9.832 -3.028) 11.515 12.126 ( -1.248 -3.343 0.381) 3.589 12.877 ( -0.822 -4.083 1.454) 4.412 13.527 ( -1.626 -6.436 -5.109) 8.377 13.555 ( -9.272 0.323 -2.967) 9.741 14.811 ( 0.584 -29.769 8.969) 31.096 16.506 ( -21.283 17.572 -4.370) 27.943 16.929 ( 7.731 14.041 15.143) 22.051 17.905 ( 22.318 2.722 -16.186) 27.704 18.706 ( 3.400 17.845 2.775) 18.377 20.110 ( 2.504 3.929 -1.760) 4.980 21.017 ( -5.686 -11.331 4.684) 13.516 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 0.008 -2.019 -1.374) 2.443 2.738 ( 2.951 5.487 -2.962) 6.898 2.831 ( 1.451 -4.293 -1.428) 4.751 2.959 ( 5.473 5.332 -3.952) 8.603 3.269 ( -4.197 -1.732 2.463) 5.165 3.960 ( -0.190 -1.007 -1.847) 2.112 4.469 ( -1.456 3.874 4.173) 5.877 5.597 ( 1.434 -1.895 1.709) 2.928 5.789 ( -10.035 -16.229 -0.180) 19.082 7.138 ( 9.936 8.963 0.602) 13.395 7.630 ( 4.947 11.688 -6.178) 14.116 8.088 ( 6.571 6.450 -3.698) 9.923 8.427 ( -4.699 7.689 2.062) 9.244 8.761 ( 11.278 3.872 6.859) 13.757 8.850 ( 1.380 -9.660 0.666) 9.781 9.415 ( -10.838 2.468 -0.772) 11.142 10.041 ( -9.917 -7.930 -3.585) 13.194 10.075 ( 3.215 -2.790 -4.462) 6.167 11.227 ( 7.624 3.742 -0.760) 8.527 12.066 ( -1.807 -3.476 1.717) 4.277 12.840 ( -2.492 -1.260 2.868) 4.003 13.281 ( -13.464 4.492 -5.513) 15.227 13.515 ( 5.091 -14.902 -2.777) 15.991 14.553 ( -2.649 -30.182 4.742) 30.667 16.338 ( -17.468 16.116 -0.761) 23.779 17.207 ( 3.811 7.023 13.453) 15.647 18.213 ( 24.315 2.050 -14.011) 28.138 18.924 ( 0.798 17.141 3.548) 17.522 20.208 ( 5.163 6.689 -2.160) 8.722 20.831 ( -8.345 -9.994 3.941) 13.603 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -9.432 3.631 11.668) 15.437 2.583 ( -1.812 -0.759 -0.437) 2.012 2.660 ( -0.331 3.511 7.516) 8.302 2.962 ( 3.438 -3.760 -5.112) 7.218 3.637 ( 2.782 -2.803 -10.356) 11.083 4.120 ( 4.421 -12.388 5.866) 14.402 4.547 ( 8.203 5.149 -6.567) 11.702 5.756 ( 0.308 -1.062 3.793) 3.951 6.150 ( -14.713 9.482 -2.242) 17.646 6.376 ( -7.300 2.321 7.539) 10.748 7.309 ( -4.772 -1.623 10.510) 11.656 7.696 ( -2.856 7.191 -1.689) 7.920 8.271 ( 5.094 8.303 -5.615) 11.244 8.802 ( 1.004 -3.524 -5.731) 6.802 9.089 ( 5.952 -6.980 2.778) 9.585 9.460 ( 8.585 4.191 4.307) 10.480 9.999 ( -8.666 -5.770 0.494) 10.423 10.414 ( -4.330 -8.877 3.465) 10.467 10.971 ( 0.944 9.246 -7.505) 11.946 12.135 ( -6.637 2.243 -1.716) 7.213 12.893 ( 7.569 -3.995 2.555) 8.932 13.389 ( 13.932 1.309 5.952) 15.207 13.750 ( -12.530 -11.726 -1.422) 17.220 15.151 ( 22.872 -18.838 8.705) 30.883 16.270 ( -12.530 5.860 2.414) 14.042 16.712 ( 2.454 32.015 13.304) 34.756 17.648 ( -16.118 -5.173 -12.679) 21.150 18.700 ( -8.721 14.125 -12.874) 21.008 20.051 ( -0.144 0.350 -0.807) 0.891 21.322 ( 4.198 -7.410 -4.099) 9.452 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 1.263 11.680 14.143) 18.386 2.557 ( -1.312 0.291 -1.470) 1.992 2.728 ( 0.324 2.753 6.077) 6.679 2.931 ( 0.340 -3.437 -2.315) 4.158 3.551 ( -1.028 -5.349 -11.126) 12.387 4.086 ( 1.338 -11.245 5.023) 12.388 4.638 ( 5.368 -4.561 -5.096) 8.694 5.732 ( 1.884 -5.093 -1.970) 5.777 6.103 ( -12.245 24.897 4.721) 28.144 6.347 ( -1.955 -1.814 6.737) 7.246 7.330 ( -0.647 2.560 10.466) 10.794 7.726 ( -2.068 9.609 -1.358) 9.923 8.298 ( -6.188 1.241 -6.400) 8.988 8.781 ( 2.264 0.915 -5.392) 5.919 9.129 ( 6.902 -7.093 1.756) 10.051 9.530 ( -1.711 -7.828 0.459) 8.026 9.926 ( 1.285 4.091 7.572) 8.702 10.347 ( 2.128 -8.106 2.981) 8.895 11.037 ( 1.911 10.229 -9.599) 14.157 12.059 ( -6.508 6.265 0.793) 9.068 13.004 ( 9.488 -4.405 1.545) 10.574 13.390 ( -12.094 -14.428 -1.014) 18.854 13.691 ( 13.879 2.658 4.696) 14.891 15.375 ( 14.847 -15.948 12.692) 25.216 16.073 ( -11.488 4.614 -7.564) 14.508 17.061 ( -3.675 23.896 -4.751) 24.640 17.406 ( -5.742 7.074 6.425) 11.149 18.605 ( -9.683 13.493 -13.463) 21.379 20.058 ( 0.392 0.915 -0.555) 1.140 21.270 ( 2.705 -11.739 -1.511) 12.140 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 6.101 10.786 8.116) 14.813 2.508 ( -3.341 -0.254 -3.031) 4.518 2.756 ( -1.835 2.980 -2.762) 4.458 2.946 ( 3.265 -2.527 8.657) 9.591 3.410 ( -2.824 -3.665 -8.683) 9.839 4.036 ( 1.411 -9.192 6.202) 11.178 4.561 ( -0.937 -12.203 -5.507) 13.421 5.750 ( 3.969 -1.578 -0.967) 4.379 6.191 ( -10.186 23.671 6.243) 26.515 6.379 ( 3.949 -0.231 4.211) 5.777 7.441 ( 3.827 4.527 7.258) 9.372 7.784 ( -2.252 9.955 -1.956) 10.393 8.065 ( -13.560 -3.647 -2.608) 14.282 8.790 ( -0.647 0.964 -1.619) 1.992 9.223 ( 10.617 -4.652 -2.079) 11.777 9.373 ( -3.877 -11.469 -1.669) 12.221 10.066 ( 1.982 4.437 6.691) 8.269 10.353 ( 4.910 -5.850 3.527) 8.413 11.088 ( -0.792 11.019 -12.472) 16.661 12.071 ( -1.204 6.616 3.393) 7.532 13.071 ( -3.859 -12.388 -3.808) 13.522 13.138 ( 5.406 -5.231 3.016) 8.105 13.934 ( 9.261 3.185 2.566) 10.124 15.316 ( -13.389 -17.323 14.236) 26.115 16.092 ( 17.208 3.724 -10.035) 20.265 17.004 ( -6.252 13.402 -22.614) 27.020 17.606 ( -5.666 19.710 22.238) 30.251 18.515 ( -6.007 12.714 -11.967) 18.465 20.068 ( -0.171 1.667 -0.745) 1.834 21.190 ( 1.757 -13.021 2.039) 13.296 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -4.061 4.011 -8.441) 10.190 2.521 ( 4.733 3.346 5.476) 7.973 2.734 ( -1.441 3.721 -4.089) 5.713 2.975 ( 0.327 -7.596 0.576) 7.625 3.360 ( 0.738 0.048 3.117) 3.204 4.068 ( 3.637 -2.846 9.138) 10.239 4.367 ( -2.383 -12.912 -6.268) 14.550 5.761 ( -1.678 -2.368 3.217) 4.333 6.221 ( -5.924 2.495 1.008) 6.506 6.549 ( 6.286 15.964 3.279) 17.468 7.609 ( 7.782 5.535 2.100) 9.778 7.664 ( -12.232 -0.704 -4.270) 12.975 8.018 ( 3.883 7.004 3.488) 8.735 8.764 ( -2.832 0.847 0.143) 2.959 9.163 ( -5.027 -10.255 -3.936) 12.080 9.354 ( 9.867 -6.034 -1.544) 11.669 10.103 ( -2.114 1.567 0.361) 2.656 10.426 ( 3.879 -3.967 7.028) 8.954 11.075 ( -4.129 12.058 -12.609) 17.928 12.134 ( 0.540 1.195 3.156) 3.418 12.893 ( -2.468 -7.212 -1.061) 7.696 13.232 ( 9.602 -7.236 -0.491) 12.034 14.034 ( -2.868 5.310 -2.430) 6.506 14.943 ( -14.587 -22.542 8.622) 28.200 16.464 ( 25.596 4.310 -0.349) 25.958 16.922 ( -4.823 14.389 -21.943) 26.680 17.708 ( -13.144 14.205 12.925) 23.273 18.573 ( 3.249 14.977 -3.712) 15.768 20.078 ( -0.266 2.903 -1.214) 3.157 21.113 ( 0.102 -11.769 5.530) 13.004 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -1.538 4.781 -7.285) 8.849 2.643 ( 3.016 3.425 0.368) 4.578 2.754 ( 3.210 2.773 -1.520) 4.506 2.866 ( -1.371 -8.045 -4.867) 9.503 3.393 ( -1.365 -0.863 7.119) 7.300 4.040 ( -4.395 -7.238 -1.735) 8.644 4.349 ( 7.863 -0.405 5.633) 9.681 5.706 ( -5.212 -0.624 4.066) 6.640 6.059 ( -7.619 -12.200 -1.262) 14.439 6.864 ( 7.886 20.975 2.003) 22.498 7.495 ( -2.430 -1.653 -5.004) 5.803 7.811 ( 9.693 6.103 -1.195) 11.516 8.218 ( 9.223 7.500 4.560) 12.732 8.720 ( -4.264 1.681 -0.156) 4.586 8.969 ( -4.599 -10.611 -1.842) 11.710 9.427 ( 6.547 -4.787 -1.337) 8.220 10.071 ( -1.884 0.797 -2.691) 3.380 10.405 ( -6.912 -4.200 4.390) 9.202 11.085 ( -0.238 11.298 -7.487) 13.555 12.128 ( -1.506 -3.086 2.542) 4.272 12.838 ( 1.088 -3.189 -0.709) 3.443 13.289 ( 7.829 -9.196 -2.485) 12.330 13.892 ( -18.233 6.581 -5.704) 20.206 14.603 ( -3.747 -27.521 4.721) 28.173 16.781 ( 0.575 5.014 -17.017) 17.749 16.986 ( 12.824 14.256 10.208) 21.723 17.675 ( -4.324 6.728 -1.322) 8.107 18.803 ( 5.930 16.555 2.857) 17.815 20.107 ( 1.019 4.517 -1.889) 5.001 21.033 ( -3.088 -9.315 7.886) 12.589 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -0.092 4.448 -3.796) 5.848 2.682 ( 2.719 -0.512 -5.232) 5.918 2.740 ( 0.728 -7.684 -1.747) 7.914 2.894 ( 6.958 4.786 -0.243) 8.449 3.366 ( -5.427 0.126 4.678) 7.166 3.947 ( 0.510 -1.385 -1.321) 1.980 4.495 ( 3.721 1.911 5.506) 6.915 5.652 ( -4.586 2.219 2.711) 5.771 5.782 ( -8.925 -15.697 -1.365) 18.108 7.116 ( 3.173 8.779 0.993) 9.388 7.544 ( 11.022 5.240 -5.096) 13.225 7.997 ( 8.776 4.518 -3.253) 10.393 8.486 ( 9.889 8.408 3.615) 13.474 8.656 ( -1.520 -2.199 -0.929) 2.830 8.827 ( -2.405 -6.247 2.006) 6.988 9.460 ( 2.589 -3.281 -0.174) 4.183 10.031 ( -1.069 -1.099 -3.396) 3.726 10.205 ( -15.449 -0.355 0.560) 15.463 11.166 ( 3.052 5.113 -2.761) 6.564 12.089 ( -1.864 -1.417 3.184) 3.952 12.841 ( 1.724 -0.863 -0.025) 1.928 13.280 ( 4.745 -10.316 -4.539) 12.228 13.579 ( -20.744 2.946 -4.074) 21.345 14.338 ( -1.204 -26.303 -0.558) 26.337 16.659 ( -9.407 7.482 -12.026) 17.003 17.340 ( 0.936 6.809 22.479) 23.507 17.772 ( 19.636 3.083 -15.028) 24.919 19.055 ( 3.886 15.240 4.568) 16.378 20.180 ( 3.762 6.376 -2.963) 7.974 20.923 ( -7.495 -6.769 8.563) 13.241 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -8.644 3.257 8.134) 12.308 2.622 ( -2.002 -0.205 1.458) 2.486 2.741 ( -0.408 4.877 4.117) 6.396 2.831 ( 5.872 -3.380 -3.341) 7.554 3.520 ( 0.597 -3.708 -7.297) 8.207 3.971 ( 5.544 -7.359 5.194) 10.577 4.476 ( 2.741 7.091 -8.408) 11.336 5.749 ( -2.312 -4.079 -1.084) 4.812 6.044 ( 9.122 -13.126 0.579) 15.995 6.860 ( -20.198 18.176 2.482) 27.285 7.390 ( -0.878 -2.510 7.380) 7.844 7.798 ( -0.716 8.648 -0.301) 8.683 8.300 ( -0.192 11.983 -4.575) 12.828 8.721 ( 0.618 -4.756 -0.307) 4.806 8.939 ( 6.983 -6.607 1.823) 9.784 9.403 ( 6.223 4.863 1.534) 8.046 10.031 ( -0.487 -2.843 1.523) 3.262 10.450 ( -9.139 -11.348 -0.809) 14.593 11.040 ( -4.180 7.529 -1.896) 8.818 12.164 ( 0.159 -2.365 -1.810) 2.983 12.809 ( 3.253 0.102 2.438) 4.067 13.221 ( 11.700 0.767 5.398) 12.908 13.838 ( -12.850 -12.948 0.997) 18.270 14.613 ( 24.806 -19.390 4.111) 31.752 16.490 ( -0.253 6.609 13.863) 15.360 17.051 ( -1.977 28.359 5.921) 29.038 17.752 ( -14.267 -9.863 -11.549) 20.837 18.902 ( -9.273 13.084 -8.206) 18.014 20.084 ( -2.818 2.049 0.601) 3.536 21.164 ( 3.669 -6.136 -7.452) 10.327 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -1.654 7.676 9.545) 12.359 2.614 ( -2.699 3.354 2.066) 4.775 2.798 ( -0.845 4.912 3.948) 6.358 2.862 ( 3.430 -2.664 -1.350) 4.548 3.436 ( 0.442 -7.214 -6.759) 9.896 3.998 ( 2.267 -6.184 3.025) 7.248 4.522 ( 2.539 0.679 -6.300) 6.826 5.662 ( -0.574 -4.892 -1.889) 5.275 6.064 ( 8.486 -11.971 -0.590) 14.685 6.776 ( -16.571 22.136 5.494) 28.192 7.424 ( -1.303 3.276 7.890) 8.642 7.863 ( -2.884 10.927 1.462) 11.395 8.378 ( -2.331 9.346 -5.807) 11.247 8.704 ( 3.133 0.090 -4.186) 5.229 8.979 ( 5.618 -7.509 0.821) 9.414 9.505 ( 0.561 -2.336 0.802) 2.533 9.993 ( -2.189 0.824 4.692) 5.242 10.248 ( -0.907 -13.593 4.274) 14.278 11.075 ( -0.079 9.486 -3.958) 10.279 12.134 ( -0.510 -1.717 -0.496) 1.859 12.879 ( 4.274 -0.881 1.105) 4.501 13.431 ( 0.036 -8.287 5.127) 9.745 13.530 ( 1.309 -5.943 1.063) 6.178 14.883 ( 26.901 -16.616 1.198) 31.641 16.376 ( -19.582 -0.625 5.761) 20.421 17.275 ( -7.494 14.757 -19.853) 25.847 17.599 ( 2.880 14.771 18.437) 23.799 18.812 ( -10.589 11.770 -9.484) 18.456 20.085 ( -1.284 3.600 0.930) 3.933 21.099 ( 3.110 -10.928 -4.885) 12.368 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 3.687 5.694 6.342) 9.286 2.594 ( -5.898 4.637 -0.113) 7.503 2.823 ( -3.027 5.886 -2.666) 7.135 2.912 ( 3.345 -2.928 8.218) 9.343 3.341 ( 0.394 -6.058 -4.573) 7.600 3.982 ( 0.977 -4.330 3.504) 5.655 4.467 ( -2.370 -6.382 -5.178) 8.554 5.664 ( 4.646 0.025 -1.588) 4.910 6.085 ( 9.270 -13.783 -0.569) 16.620 6.792 ( -13.763 25.696 6.422) 29.849 7.481 ( -0.226 3.176 5.953) 6.751 7.926 ( -3.396 11.223 1.490) 11.820 8.257 ( -13.581 0.600 -4.074) 14.192 8.770 ( 3.025 4.399 -4.765) 7.156 9.028 ( 8.541 -4.244 -0.227) 9.540 9.363 ( -8.000 -9.976 -0.319) 12.792 10.088 ( 3.803 2.487 6.469) 7.905 10.203 ( 6.570 -10.065 4.055) 12.685 11.146 ( -0.229 11.406 -5.934) 12.859 12.123 ( 0.630 -1.024 1.614) 2.012 12.919 ( 3.881 -5.273 -3.074) 7.233 13.174 ( -9.661 -8.851 3.271) 13.504 13.762 ( 15.066 -0.563 3.677) 15.518 15.137 ( 21.436 -19.150 2.024) 28.815 16.040 ( -16.819 -1.116 -4.738) 17.509 17.122 ( -7.540 10.855 -18.839) 23.012 17.987 ( 1.416 24.116 23.354) 33.601 18.675 ( -10.773 9.218 -11.316) 18.140 20.108 ( -1.423 4.649 0.614) 4.901 21.029 ( 4.116 -12.580 -0.564) 13.248 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 2.201 4.340 -0.397) 4.883 2.518 ( -4.944 2.429 0.112) 5.510 2.798 ( -4.063 4.762 -3.067) 6.971 2.921 ( -1.376 -6.948 1.817) 7.312 3.336 ( 3.549 -1.150 4.063) 5.516 4.039 ( 4.601 0.931 7.758) 9.068 4.292 ( -5.549 -8.867 -6.042) 12.079 5.740 ( 3.123 0.075 1.062) 3.299 6.096 ( 8.500 -13.995 -1.945) 16.489 6.865 ( -10.786 25.242 5.947) 28.087 7.548 ( 4.024 0.342 1.182) 4.208 7.867 ( -14.826 0.428 -2.529) 15.046 8.104 ( -3.215 8.453 2.832) 9.477 8.796 ( -0.211 1.587 -1.902) 2.486 9.130 ( -4.904 -8.747 -3.973) 10.786 9.165 ( 7.589 -2.330 -0.104) 7.940 10.106 ( 0.528 -4.338 -0.635) 4.416 10.344 ( 8.495 -2.082 9.748) 13.097 11.191 ( -3.371 12.752 -7.837) 15.343 12.142 ( 1.075 -2.113 3.051) 3.863 12.850 ( -0.756 -6.628 -3.909) 7.732 13.079 ( 1.655 -4.087 1.359) 4.614 13.970 ( 10.339 -2.211 0.706) 10.596 15.047 ( -11.918 -21.163 2.427) 24.409 16.003 ( 20.122 -0.508 -10.991) 22.934 17.037 ( -5.479 12.794 -13.426) 19.338 18.210 ( -17.311 17.672 16.990) 30.011 18.617 ( 3.295 11.935 -5.819) 13.680 20.129 ( -1.907 5.393 -0.145) 5.722 21.001 ( 4.537 -11.186 4.662) 12.940 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -6.370 6.435 -5.761) 10.732 2.602 ( 6.058 0.287 3.299) 6.904 2.751 ( -3.137 1.697 -3.827) 5.231 2.803 ( -2.498 -7.587 -2.419) 8.346 3.432 ( 2.320 1.986 8.044) 8.604 4.023 ( -5.780 -9.234 -3.876) 11.563 4.278 ( 7.859 4.964 7.169) 11.738 5.748 ( -0.526 -4.634 2.226) 5.167 6.035 ( -2.129 -9.575 -1.914) 9.993 7.007 ( -0.400 19.563 4.452) 20.067 7.525 ( -7.158 -5.534 -6.030) 10.872 7.716 ( 3.568 0.778 1.269) 3.866 8.224 ( 3.166 10.245 3.550) 11.295 8.787 ( -1.775 2.564 -2.101) 3.760 8.919 ( -4.651 -11.708 -2.965) 12.942 9.288 ( 6.595 0.639 -0.896) 6.686 10.064 ( -0.125 -2.799 -3.019) 4.119 10.463 ( 1.289 -2.966 10.236) 10.735 11.198 ( -4.664 13.131 -7.086) 15.633 12.138 ( -0.650 -2.773 3.204) 4.287 12.793 ( 0.562 -1.968 -1.955) 2.830 13.096 ( 5.552 -5.394 -2.715) 8.203 14.044 ( 2.393 -2.322 -3.875) 5.113 14.572 ( -20.627 -20.150 -0.810) 28.847 16.347 ( 29.675 -5.757 -14.528) 33.538 17.052 ( 0.029 13.617 -3.971) 14.184 18.040 ( -21.985 8.574 6.179) 24.393 18.866 ( 7.250 16.634 4.413) 18.674 20.149 ( -1.452 6.010 -1.218) 6.302 21.010 ( 2.382 -8.148 9.023) 12.389 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -1.255 7.772 -4.941) 9.295 2.601 ( -2.134 -8.616 -5.592) 10.491 2.685 ( -0.397 -3.433 2.393) 4.204 2.818 ( 6.348 2.942 -0.161) 6.998 3.487 ( -4.481 2.481 5.989) 7.881 3.896 ( 1.946 -1.899 -2.956) 4.017 4.479 ( 5.361 3.360 7.204) 9.588 5.663 ( -1.701 -12.677 -0.236) 12.793 5.875 ( -10.085 1.903 0.714) 10.288 7.202 ( -0.914 8.945 2.680) 9.383 7.360 ( 5.086 -7.890 -3.997) 10.202 7.855 ( 10.657 1.872 -1.936) 10.992 8.420 ( 8.044 8.742 3.485) 12.381 8.706 ( -6.898 -3.436 -4.160) 8.758 8.799 ( 0.569 -2.497 -1.222) 2.838 9.373 ( 4.287 -0.337 0.247) 4.308 10.019 ( -0.846 -1.401 -3.361) 3.739 10.431 ( -8.751 -1.741 8.099) 12.051 11.214 ( -3.056 9.637 -3.642) 10.746 12.130 ( -1.058 0.875 3.795) 4.036 12.795 ( 1.985 -0.269 -1.535) 2.524 13.110 ( 4.560 -5.233 -4.738) 8.404 13.930 ( -17.980 3.659 -4.491) 18.890 14.105 ( -4.857 -25.782 -4.926) 26.694 16.541 ( 13.542 -7.542 -18.370) 24.036 17.309 ( 17.035 10.725 5.196) 20.790 17.808 ( -17.852 4.425 4.838) 19.018 19.144 ( 5.362 15.310 4.901) 16.946 20.186 ( 0.552 6.528 -2.867) 7.151 21.011 ( -2.451 -4.804 11.138) 12.375 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.000 0.000 26.229) 26.229 1.759 ( 0.000 -0.000 26.229) 26.229 2.888 ( -0.000 0.000 -1.555) 1.555 3.423 ( -0.000 0.000 -20.610) 20.610 3.423 ( -0.000 0.000 -20.610) 20.610 3.869 ( 0.000 -0.000 40.322) 40.322 5.086 ( 0.000 0.000 0.043) 0.043 5.086 ( -0.000 -0.000 0.043) 0.043 6.162 ( -0.000 0.000 -6.162) 6.162 6.533 ( -0.000 0.000 -17.711) 17.711 7.183 ( 0.000 0.000 6.989) 6.989 7.183 ( 0.000 0.000 6.989) 6.989 8.547 ( 0.000 0.000 3.106) 3.106 8.547 ( 0.000 -0.000 3.106) 3.106 9.614 ( 0.000 -0.000 5.421) 5.421 9.614 ( 0.000 -0.000 5.421) 5.421 9.955 ( 0.000 -0.000 4.897) 4.897 10.387 ( -0.000 0.000 -7.767) 7.767 10.893 ( -0.000 0.000 -13.773) 13.773 10.893 ( -0.000 0.000 -13.773) 13.773 13.548 ( 0.000 -0.000 2.141) 2.141 13.691 ( 0.000 0.000 2.282) 2.282 13.691 ( 0.000 0.000 2.282) 2.282 15.307 ( 0.000 0.000 15.661) 15.661 15.307 ( 0.000 -0.000 15.661) 15.661 17.250 ( -0.000 0.000 -10.305) 10.305 17.250 ( -0.000 0.000 -10.305) 10.305 17.455 ( 0.000 -0.000 1.384) 1.384 20.185 ( -0.000 0.000 -1.675) 1.675 21.751 ( 0.000 -0.000 1.263) 1.263 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -8.457 7.923 24.496) 27.098 2.271 ( 19.526 6.497 23.568) 31.288 2.818 ( -5.746 -1.665 -3.701) 7.035 3.124 ( -2.749 -7.074 -20.805) 22.146 3.518 ( 8.500 4.534 -19.734) 21.960 4.109 ( 3.308 0.490 35.430) 35.587 4.977 ( -7.763 -5.372 2.015) 9.653 5.149 ( 2.968 3.380 -2.011) 4.927 6.139 ( -1.874 -1.952 -8.168) 8.604 6.294 ( -5.904 -2.747 -6.117) 8.934 7.187 ( -1.585 4.019 8.277) 9.337 7.360 ( 7.899 3.289 2.721) 8.979 8.504 ( -1.621 -10.656 1.370) 10.865 8.653 ( 4.621 9.182 -1.435) 10.379 9.571 ( -4.394 -6.498 2.936) 8.375 9.641 ( -4.132 0.429 5.633) 6.999 9.970 ( -1.354 5.887 3.238) 6.854 10.359 ( 1.792 2.646 -5.192) 6.097 10.782 ( 2.684 -6.021 -10.512) 12.408 11.176 ( 23.735 18.082 -14.465) 33.160 13.507 ( -10.455 -0.225 2.733) 10.809 13.578 ( -0.115 -10.179 3.263) 10.690 13.763 ( -0.107 4.571 -0.087) 4.573 15.350 ( 3.875 1.693 16.212) 16.754 15.593 ( 11.906 4.981 12.562) 18.010 16.816 ( -19.602 -16.782 -5.946) 26.481 17.352 ( 2.603 15.824 -10.646) 19.249 17.741 ( 21.930 4.013 -4.780) 22.801 20.157 ( -1.812 -0.928 -1.510) 2.534 21.704 ( -4.507 -2.917 0.861) 5.437 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -3.724 14.141 18.438) 23.533 2.618 ( 2.873 1.846 16.447) 16.798 2.670 ( -5.934 -0.988 -5.904) 8.429 3.008 ( 5.169 -3.017 -11.180) 12.681 3.543 ( 6.828 -1.789 -17.836) 19.182 4.338 ( 2.742 -0.387 17.131) 17.353 4.769 ( -12.926 -7.081 3.987) 15.268 5.277 ( 12.835 3.318 2.882) 13.567 5.993 ( -3.739 0.847 -4.805) 6.147 6.333 ( 4.233 5.120 -0.989) 6.716 7.282 ( 0.874 6.364 9.188) 11.211 7.501 ( 5.443 3.287 -0.535) 6.381 8.331 ( -5.685 -11.539 -2.147) 13.042 8.777 ( 4.274 3.911 -3.605) 6.824 9.407 ( -9.635 -4.555 1.303) 10.737 9.552 ( -5.425 -8.619 6.467) 12.064 10.061 ( -1.692 15.066 -2.004) 15.293 10.429 ( 4.078 2.842 0.774) 5.031 10.745 ( 5.300 -4.590 -7.973) 10.617 11.662 ( 22.912 17.020 -10.226) 30.318 13.279 ( -14.837 -4.892 3.619) 16.036 13.503 ( -1.380 -10.567 2.326) 10.907 13.812 ( 0.190 7.615 -0.582) 7.640 15.601 ( 8.725 4.998 16.269) 19.126 15.894 ( 12.423 5.399 7.383) 15.427 16.322 ( -15.941 -19.600 -2.063) 25.348 17.508 ( 4.567 18.634 -10.994) 22.112 18.083 ( 21.154 2.878 -8.615) 23.022 20.102 ( -2.583 -1.124 -1.217) 3.068 21.576 ( -6.825 -4.847 -0.524) 8.387 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -0.206 12.771 11.948) 17.490 2.590 ( -0.401 1.438 -4.456) 4.699 2.658 ( -0.779 -2.548 4.932) 5.606 3.017 ( -2.741 1.336 1.509) 3.403 3.523 ( 5.801 -4.368 -14.343) 16.077 4.324 ( -4.732 -3.886 -1.249) 6.249 4.505 ( -13.512 -8.116 4.630) 16.428 5.631 ( 17.843 -1.869 10.000) 20.539 6.048 ( 7.198 15.829 -5.877) 18.355 6.416 ( 0.548 2.217 1.703) 2.849 7.414 ( 1.386 6.021 9.371) 11.225 7.600 ( 4.125 3.983 -2.066) 6.095 8.139 ( -2.464 -8.295 -5.207) 10.099 8.815 ( 0.361 1.342 -4.330) 4.548 9.236 ( -8.882 -2.620 3.036) 9.745 9.417 ( -3.748 -11.153 5.978) 13.197 10.125 ( -3.420 10.539 -4.033) 11.791 10.524 ( 1.898 4.340 2.207) 5.226 10.774 ( 7.009 -1.814 -4.606) 8.581 12.036 ( 12.665 9.448 -4.061) 16.315 13.030 ( -12.698 -4.186 3.286) 13.768 13.368 ( -3.604 -11.748 1.785) 12.417 13.901 ( 0.913 9.551 0.075) 9.595 15.549 ( -26.235 -2.671 0.750) 26.381 16.176 ( 14.364 -18.747 19.919) 30.896 16.228 ( 19.368 9.429 0.844) 21.558 17.703 ( 4.259 21.090 -10.795) 24.072 18.363 ( 18.074 1.697 -9.260) 20.379 20.057 ( -1.251 -0.050 -0.649) 1.410 21.403 ( -7.495 -5.713 -2.848) 9.845 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 2.261 10.499 8.237) 13.535 2.601 ( 2.944 -1.502 -3.341) 4.700 2.678 ( 1.822 1.713 2.819) 3.768 2.941 ( -8.024 -0.613 2.399) 8.397 3.478 ( 1.311 -3.441 -9.142) 9.856 4.187 ( -9.403 -0.404 -0.899) 9.454 4.293 ( -1.554 -8.912 -1.655) 9.196 5.776 ( 1.993 -1.332 1.383) 2.768 6.227 ( -6.770 -0.333 0.423) 6.791 6.582 ( 19.921 12.718 -0.505) 23.640 7.522 ( -1.121 4.608 8.413) 9.657 7.679 ( 2.696 3.825 -2.895) 5.503 8.094 ( 6.808 -2.094 -4.796) 8.587 8.782 ( -2.227 1.046 -2.087) 3.227 9.095 ( -9.993 -1.257 3.837) 10.778 9.315 ( 0.522 -10.416 3.313) 10.943 10.107 ( -4.070 2.636 -0.633) 4.890 10.548 ( -0.446 -0.078 -6.162) 6.179 10.925 ( 9.125 7.314 4.253) 12.444 12.177 ( 1.354 1.740 -2.197) 3.112 12.860 ( -6.613 -2.717 2.803) 7.679 13.213 ( -3.721 -10.411 1.832) 11.207 14.000 ( 0.627 7.214 1.609) 7.418 15.036 ( -31.149 -2.483 -1.125) 31.268 16.314 ( 14.488 -24.677 15.689) 32.634 16.684 ( 19.030 11.464 6.823) 23.240 17.893 ( 0.813 22.935 -9.303) 24.764 18.604 ( 17.032 1.314 -7.008) 18.464 20.066 ( 1.638 2.105 0.155) 2.671 21.209 ( -6.993 -5.900 -5.751) 10.806 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 10.630 -0.406 24.372) 26.592 2.384 ( -4.635 18.885 23.158) 30.239 2.803 ( 2.233 -5.792 -3.563) 7.157 2.969 ( -5.541 -9.183 -21.209) 23.767 3.417 ( -0.131 10.850 -20.513) 23.206 4.284 ( -1.054 -1.632 31.152) 31.213 5.062 ( -2.408 0.399 2.851) 3.753 5.084 ( 2.852 -2.610 -1.452) 4.130 6.074 ( -0.643 -5.602 -10.081) 11.551 6.267 ( 0.880 -0.605 -5.317) 5.424 7.247 ( 3.145 2.100 6.868) 7.840 7.371 ( -0.764 7.828 3.014) 8.423 8.439 ( -4.286 -11.793 2.062) 12.716 8.682 ( 1.994 6.787 -1.110) 7.160 9.605 ( -3.239 -4.967 2.515) 6.442 9.727 ( 2.267 4.835 4.854) 7.216 9.920 ( 4.594 -8.478 1.956) 9.839 10.330 ( 1.129 3.632 -3.860) 5.419 10.815 ( -7.822 5.639 -13.046) 16.223 11.043 ( 5.783 27.812 -9.053) 29.815 13.507 ( 0.676 -8.122 2.878) 8.643 13.650 ( -4.740 -3.189 1.977) 6.045 13.728 ( 4.242 0.191 -0.404) 4.266 15.372 ( -0.617 -3.541 15.782) 16.187 15.689 ( -0.711 14.978 9.900) 17.968 16.962 ( -17.796 -9.989 -7.967) 21.908 17.135 ( 22.530 0.274 -6.962) 23.582 17.731 ( -4.887 19.516 -4.154) 20.543 20.150 ( 0.085 -1.851 -1.300) 2.263 21.701 ( -0.231 -6.675 1.022) 6.757 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -1.366 10.012 16.762) 19.572 2.680 ( -3.889 -7.447 -19.556) 21.284 2.700 ( 1.980 6.332 14.585) 16.023 2.782 ( 8.983 1.825 3.242) 9.723 3.385 ( 0.736 2.054 -17.639) 17.773 4.381 ( -0.127 -6.325 17.239) 18.363 4.942 ( -10.153 -5.079 3.341) 11.834 5.171 ( 6.137 4.603 3.064) 8.260 5.962 ( 1.070 -3.268 -6.506) 7.359 6.327 ( 3.232 8.363 -2.474) 9.301 7.350 ( 2.093 4.926 5.009) 7.331 7.482 ( 2.935 7.274 -0.423) 7.855 8.282 ( -2.575 -14.315 3.161) 14.884 8.738 ( 1.702 2.121 -1.999) 3.375 9.472 ( -6.492 -6.833 0.290) 9.430 9.680 ( -10.246 -2.232 5.229) 11.717 10.048 ( 11.830 2.002 -4.953) 12.981 10.401 ( 3.414 4.602 0.344) 5.741 10.701 ( -4.515 5.751 -7.331) 10.354 11.473 ( 17.600 27.630 -9.044) 33.985 13.380 ( -4.015 -14.460 3.810) 15.484 13.559 ( -10.550 3.211 0.121) 11.028 13.778 ( 5.977 -2.178 -0.913) 6.426 15.499 ( 9.576 -4.874 16.105) 19.361 15.911 ( 4.933 15.721 6.102) 17.570 16.518 ( -23.032 -8.918 -2.991) 24.879 17.426 ( 16.226 8.635 -13.342) 22.713 17.889 ( 6.300 14.248 -1.321) 15.635 20.114 ( -1.368 -1.971 -1.145) 2.658 21.598 ( -3.924 -9.115 0.787) 9.955 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -4.445 9.861 6.990) 12.878 2.536 ( 2.345 -2.809 -11.294) 11.872 2.678 ( -1.585 -1.563 1.693) 2.797 3.090 ( 3.876 8.051 12.538) 15.396 3.293 ( 3.515 -4.729 -15.279) 16.376 4.318 ( -5.030 -10.072 2.278) 11.486 4.710 ( -12.599 -7.376 2.958) 14.896 5.435 ( 13.154 5.645 11.673) 18.470 6.018 ( 7.832 8.587 -6.154) 13.151 6.430 ( 1.360 6.119 -2.642) 6.803 7.449 ( 1.926 2.723 2.961) 4.460 7.588 ( 4.514 7.207 -1.470) 8.630 8.140 ( -4.901 -5.182 1.117) 7.219 8.765 ( 2.789 -2.040 -1.068) 3.617 9.305 ( -5.639 -7.829 0.727) 9.676 9.509 ( -10.995 -2.777 4.615) 12.243 10.170 ( 4.836 3.460 -9.408) 11.130 10.481 ( 1.712 -0.235 -0.279) 1.750 10.716 ( 2.998 6.407 1.099) 7.158 11.904 ( 13.924 16.982 -5.837) 22.723 13.190 ( -7.720 -11.782 5.454) 15.106 13.379 ( -11.052 0.159 -3.816) 11.693 13.872 ( 7.396 -1.443 -0.001) 7.536 15.723 ( 15.217 -10.517 13.876) 23.124 15.996 ( -22.169 -0.589 -15.296) 26.940 16.256 ( 4.736 11.861 22.200) 25.612 17.683 ( 13.518 15.512 -16.824) 26.578 18.136 ( 10.236 9.350 0.709) 13.882 20.071 ( -1.258 -0.816 -0.823) 1.710 21.430 ( -6.159 -9.836 -0.315) 11.609 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 1.548 7.898 2.424) 8.406 2.516 ( 1.609 -1.217 -4.540) 4.968 2.700 ( 1.504 4.159 2.278) 4.975 3.068 ( -7.146 -2.235 -1.656) 7.669 3.338 ( 5.874 -1.158 -3.216) 6.797 4.132 ( -4.081 -8.024 -4.958) 10.278 4.471 ( -12.884 -4.565 5.078) 14.581 5.682 ( 8.034 -2.894 6.647) 10.822 6.247 ( 4.948 2.848 -1.048) 5.804 6.477 ( 6.714 12.592 -5.804) 15.405 7.506 ( 3.721 0.052 -0.310) 3.735 7.754 ( 4.785 10.407 1.215) 11.519 8.057 ( -4.878 5.086 -1.359) 7.177 8.777 ( 1.738 -2.035 -0.320) 2.695 9.180 ( -1.529 -8.275 2.911) 8.904 9.336 ( -10.911 -2.021 2.850) 11.457 10.171 ( -1.594 1.558 -5.825) 6.237 10.438 ( 1.236 -7.773 -6.031) 9.916 10.915 ( 8.018 9.706 7.323) 14.565 12.129 ( 5.349 4.392 -3.440) 7.729 12.994 ( -9.826 -5.845 5.119) 12.526 13.200 ( -6.302 -3.624 -3.950) 8.273 13.960 ( 6.228 -4.079 -0.444) 7.458 15.502 ( -27.583 -2.487 -5.697) 28.275 15.908 ( 13.967 -15.730 11.242) 23.852 16.656 ( 11.748 15.917 16.749) 25.921 17.953 ( 11.782 20.211 -17.858) 29.431 18.378 ( 10.008 6.110 3.332) 12.190 20.065 ( 0.847 1.633 -0.345) 1.871 21.226 ( -7.224 -9.671 -2.222) 12.274 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 5.212 -0.208 23.809) 24.373 2.649 ( 3.530 -5.541 -6.937) 9.554 2.704 ( -1.126 4.197 15.935) 16.516 2.930 ( -6.415 0.823 -10.672) 12.479 3.443 ( -4.859 8.371 -19.627) 21.884 4.409 ( -0.338 -6.114 15.937) 17.073 4.916 ( 10.195 -4.993 0.560) 11.366 5.232 ( -9.469 11.179 5.535) 15.661 5.940 ( 2.050 -7.255 -7.285) 10.483 6.287 ( -2.225 5.453 -0.633) 5.924 7.283 ( -0.095 1.477 10.094) 10.202 7.475 ( -2.636 6.491 -1.031) 7.081 8.387 ( -0.719 -10.254 -3.177) 10.759 8.723 ( -1.134 4.747 -0.843) 4.953 9.483 ( 9.357 -7.929 -0.281) 12.268 9.766 ( 7.177 2.359 7.968) 10.980 9.818 ( -6.284 -7.296 -0.456) 9.640 10.389 ( -3.755 3.611 0.877) 5.283 10.807 ( 2.665 8.059 -11.777) 14.517 11.408 ( -17.573 24.902 -5.486) 30.968 13.376 ( 9.718 -8.673 3.259) 13.427 13.610 ( -6.349 -11.601 -2.334) 13.429 13.720 ( 6.155 5.875 2.804) 8.959 15.543 ( -11.483 -0.524 16.589) 20.182 15.881 ( -0.862 11.267 -1.098) 11.353 16.722 ( 20.470 1.998 -2.014) 20.665 17.151 ( -14.367 -1.635 -4.649) 15.189 18.005 ( -10.386 17.793 -7.941) 22.080 20.110 ( 1.553 -2.261 -0.940) 2.900 21.608 ( 3.482 -8.368 0.253) 9.067 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 11.662 4.207 15.679) 19.988 2.546 ( -3.525 -5.775 -14.833) 16.303 2.741 ( -2.240 -3.002 -3.380) 5.045 2.903 ( 0.475 10.912 18.791) 21.734 3.333 ( -3.069 3.645 -17.519) 18.156 4.391 ( -0.503 -11.689 10.822) 15.938 4.924 ( 0.284 -11.739 -4.024) 12.413 5.306 ( -3.368 19.283 9.672) 21.834 5.871 ( 1.234 -3.984 -4.218) 5.931 6.351 ( 2.198 8.807 -1.740) 9.242 7.384 ( 2.451 4.423 5.904) 7.773 7.520 ( 0.202 7.878 -2.686) 8.325 8.205 ( -3.338 -15.027 3.149) 15.712 8.744 ( -0.875 1.934 -0.650) 2.220 9.485 ( -1.926 -7.242 -2.765) 7.987 9.725 ( 6.153 -11.504 -0.832) 13.072 9.903 ( -0.019 7.288 3.988) 8.307 10.411 ( 1.228 4.099 2.758) 5.091 10.791 ( -3.758 7.309 -12.489) 14.950 11.549 ( 2.911 30.504 -2.644) 30.756 13.329 ( -5.350 -13.694 1.479) 14.776 13.537 ( 11.286 -8.263 0.019) 13.987 13.792 ( -5.691 5.960 -0.246) 8.244 15.479 ( -3.255 -6.889 16.882) 18.522 16.026 ( 3.159 15.866 -0.781) 16.196 16.723 ( -8.607 -2.957 -13.738) 16.479 17.189 ( 9.536 8.875 3.295) 13.437 18.018 ( -2.959 17.274 -4.445) 18.080 20.096 ( 0.150 -2.401 -0.908) 2.572 21.545 ( -0.412 -11.120 1.382) 11.214 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -0.046 -2.856 -19.552) 19.760 2.437 ( 1.909 5.194 8.395) 10.055 2.693 ( -0.634 -1.201 1.167) 1.791 3.131 ( 3.435 1.118 3.348) 4.925 3.240 ( -1.351 5.246 0.375) 5.430 4.311 ( -2.772 -11.330 5.769) 13.013 4.732 ( -3.738 -13.893 -3.723) 14.861 5.521 ( -1.990 16.228 14.002) 21.526 5.905 ( 8.587 4.620 -6.159) 11.533 6.454 ( 1.638 7.724 -4.247) 8.966 7.479 ( -0.889 3.993 1.131) 4.244 7.562 ( 3.260 5.447 -4.758) 7.933 8.127 ( 3.204 -7.541 7.606) 11.180 8.727 ( -1.159 -1.130 0.510) 1.697 9.323 ( -5.980 -7.817 -2.514) 10.158 9.660 ( -4.937 -5.666 1.908) 7.753 9.996 ( 6.622 2.060 -6.046) 9.201 10.493 ( 0.324 1.788 2.011) 2.711 10.755 ( -0.385 7.395 -4.504) 8.667 11.881 ( 7.617 21.328 -3.247) 22.879 13.141 ( -2.465 -13.592 0.927) 13.845 13.633 ( -5.824 2.109 0.561) 6.219 13.678 ( 1.370 -4.108 -2.839) 5.178 15.486 ( 5.522 -18.289 15.792) 24.786 16.203 ( -2.952 20.726 -14.776) 25.625 16.526 ( -8.959 5.773 11.409) 15.613 17.437 ( 14.266 8.462 -10.876) 19.834 18.179 ( 3.782 16.376 2.153) 16.944 20.068 ( -0.418 -1.440 -0.888) 1.743 21.416 ( -3.756 -11.611 2.053) 12.375 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 5.147 1.147 -13.271) 14.281 2.527 ( 0.347 4.779 1.973) 5.182 2.721 ( 1.961 2.779 2.692) 4.338 3.036 ( -1.520 -5.695 -10.995) 12.476 3.359 ( -1.440 2.953 11.219) 11.690 4.143 ( -7.448 -8.205 -1.125) 11.138 4.570 ( -3.490 -8.643 2.581) 9.672 5.635 ( -0.069 0.424 8.971) 8.981 6.150 ( 10.243 7.090 -1.679) 12.570 6.489 ( 1.373 10.442 -8.170) 13.329 7.461 ( 0.648 1.148 -4.510) 4.698 7.719 ( 8.029 8.420 -0.780) 11.661 8.197 ( 0.308 5.159 5.460) 7.518 8.713 ( 1.685 -3.501 2.630) 4.692 9.151 ( -4.563 -8.634 -0.794) 9.798 9.523 ( -9.464 -0.368 1.360) 9.568 10.063 ( 6.532 -1.333 -8.671) 10.938 10.408 ( -6.881 -5.119 -3.353) 9.208 10.903 ( 7.823 7.792 5.136) 12.178 12.089 ( 3.609 7.614 -2.632) 8.828 13.011 ( -1.345 -10.073 1.206) 10.234 13.403 ( -18.133 5.139 -3.064) 19.094 13.749 ( 10.086 -10.233 -1.915) 14.495 15.423 ( 3.876 -30.024 7.280) 31.136 16.094 ( -16.885 20.668 -9.528) 28.338 16.765 ( 6.800 15.284 21.862) 27.528 17.693 ( 19.035 9.027 -19.747) 28.875 18.427 ( 4.632 15.469 7.408) 17.766 20.060 ( 0.772 0.797 -0.758) 1.344 21.241 ( -6.595 -10.811 1.777) 12.787 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -1.855 1.109 19.535) 19.654 2.549 ( 0.100 -1.120 -4.915) 5.042 2.723 ( 2.254 -0.116 1.135) 2.526 2.998 ( -1.371 -2.190 4.869) 5.512 3.475 ( -3.432 5.192 -16.305) 17.452 4.340 ( 4.073 -11.097 2.916) 12.175 4.690 ( 12.478 -4.674 0.640) 13.340 5.657 ( -19.137 21.269 2.899) 28.757 5.829 ( 1.658 -4.481 -1.875) 5.133 6.387 ( -3.847 2.219 3.237) 5.496 7.378 ( -3.262 -0.659 10.594) 11.104 7.564 ( -2.704 6.520 -2.540) 7.501 8.253 ( 5.884 -0.998 -7.058) 9.243 8.756 ( -0.998 -0.242 -2.955) 3.128 9.283 ( 6.093 -8.340 2.150) 10.550 9.646 ( 8.318 -2.423 3.866) 9.487 9.919 ( -6.697 -1.172 2.634) 7.291 10.466 ( -2.753 -2.161 3.671) 5.072 10.804 ( 0.212 8.894 -8.329) 12.187 11.860 ( -16.135 14.960 -1.020) 22.026 13.130 ( 11.231 -8.273 1.982) 14.089 13.632 ( 9.340 1.380 3.336) 10.013 13.645 ( -8.563 -8.293 -1.269) 11.988 15.667 ( 16.286 -9.969 0.838) 19.113 15.968 ( -19.244 5.063 4.459) 20.392 16.633 ( 4.743 19.608 3.137) 20.416 17.344 ( -12.402 0.936 -2.292) 12.646 18.276 ( -10.884 14.862 -9.121) 20.555 20.063 ( 1.418 -1.339 -0.239) 1.965 21.448 ( 6.004 -8.664 -1.762) 10.687 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 5.167 5.065 15.152) 16.791 2.497 ( -1.687 -0.875 -6.182) 6.467 2.719 ( -0.602 -1.173 -3.690) 3.919 3.036 ( 1.599 0.416 13.866) 13.964 3.344 ( -5.337 3.377 -15.747) 16.966 4.296 ( 2.632 -13.817 4.731) 14.840 4.755 ( 4.225 -11.264 -3.019) 12.403 5.610 ( -3.775 18.351 -6.453) 19.816 5.873 ( -4.413 6.619 9.139) 12.117 6.392 ( -0.063 3.653 1.547) 3.968 7.421 ( 1.224 2.121 6.692) 7.126 7.593 ( -1.558 9.015 -2.136) 9.395 8.167 ( -5.602 -8.761 -2.371) 10.666 8.765 ( 1.023 1.438 -0.868) 1.967 9.325 ( 8.209 -7.597 -1.590) 11.297 9.572 ( -2.218 -11.490 -2.565) 11.981 10.010 ( 1.680 6.668 9.140) 11.438 10.442 ( -0.022 -1.169 3.300) 3.501 10.829 ( -1.243 9.199 -11.157) 14.514 11.838 ( -7.086 20.671 2.053) 21.948 13.254 ( 12.526 -8.580 -0.315) 15.186 13.330 ( -9.996 -13.892 0.147) 17.115 13.858 ( 5.667 5.942 1.677) 8.381 15.672 ( -16.136 -9.091 18.165) 25.942 15.950 ( 17.628 5.287 -10.145) 21.014 16.656 ( -4.476 7.087 -22.383) 23.902 17.384 ( -4.218 16.320 17.597) 24.367 18.210 ( -6.982 14.443 -7.723) 17.804 20.066 ( 0.628 -1.432 -0.252) 1.584 21.424 ( 3.263 -11.456 0.464) 11.921 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -3.139 2.032 -11.026) 11.642 2.495 ( 1.417 2.959 6.110) 6.936 2.687 ( 0.074 -0.636 -1.152) 1.318 3.099 ( -1.658 -5.203 -1.682) 5.714 3.313 ( 3.112 7.450 5.946) 10.027 4.248 ( 2.182 -10.943 6.716) 13.023 4.602 ( -2.122 -15.741 -6.076) 17.006 5.781 ( 8.538 7.901 -7.287) 13.727 5.890 ( -11.644 19.259 12.474) 25.732 6.454 ( 2.807 3.284 -2.492) 4.988 7.519 ( 4.290 4.723 1.460) 6.546 7.592 ( -6.765 5.485 -5.312) 10.201 8.039 ( 1.943 -6.850 6.137) 9.400 8.766 ( -2.127 0.245 1.558) 2.648 9.300 ( -2.122 -8.061 -4.441) 9.445 9.497 ( 8.403 -10.129 -3.117) 13.525 10.060 ( -5.456 4.323 3.492) 7.788 10.500 ( 2.991 0.209 4.917) 5.759 10.812 ( -2.686 9.045 -9.439) 13.346 11.992 ( 0.954 16.712 1.467) 16.803 13.073 ( -4.564 -12.921 -1.501) 13.785 13.382 ( 11.958 -8.731 -0.060) 14.807 13.907 ( -7.543 6.764 -0.856) 10.167 15.414 ( -9.083 -20.324 13.299) 25.932 16.291 ( 15.339 15.922 -3.086) 22.323 16.546 ( 1.166 7.341 -23.378) 24.531 17.510 ( -9.595 14.605 11.792) 21.081 18.285 ( 2.511 15.434 -0.252) 15.639 20.055 ( -0.131 -0.793 -0.503) 0.948 21.354 ( 0.139 -11.641 2.969) 12.014 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -0.224 4.639 -13.793) 14.554 2.569 ( 0.456 4.012 1.356) 4.260 2.710 ( 3.016 1.119 0.979) 3.362 2.971 ( -2.958 -5.897 -5.916) 8.862 3.455 ( 0.258 0.570 10.788) 10.806 4.177 ( -6.091 -8.222 0.538) 10.246 4.467 ( 5.487 -9.821 1.631) 11.367 5.755 ( -6.466 -1.980 4.185) 7.953 6.110 ( 3.253 13.224 1.766) 13.732 6.508 ( 3.007 10.225 -7.020) 12.762 7.466 ( -4.498 1.064 -7.259) 8.606 7.672 ( 6.705 7.508 0.490) 10.078 8.162 ( 9.334 1.200 6.990) 11.723 8.729 ( -3.255 -1.022 2.898) 4.476 9.137 ( -4.458 -9.007 -2.838) 10.442 9.524 ( 5.385 -6.829 -2.729) 9.115 10.017 ( -3.933 3.743 -1.938) 5.765 10.474 ( -7.361 -2.321 -2.091) 7.996 10.883 ( 5.233 7.884 0.981) 9.513 12.121 ( 0.348 6.604 0.132) 6.614 12.932 ( -0.228 -8.292 -1.551) 8.439 13.464 ( 10.352 -10.977 -2.887) 15.362 13.748 ( -17.868 6.541 -1.687) 19.102 15.164 ( -1.482 -29.054 6.348) 29.776 16.424 ( -9.027 20.483 -15.476) 27.213 16.808 ( 21.941 11.366 5.054) 25.222 17.526 ( -3.925 9.026 -0.370) 9.849 18.530 ( 6.099 16.121 6.743) 18.508 20.051 ( 0.413 0.824 -0.741) 1.183 21.248 ( -3.675 -10.119 4.636) 11.722 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 0.000 0.000 25.332) 25.332 2.195 ( 0.000 -0.000 25.332) 25.332 2.841 ( -0.000 0.000 -2.653) 2.653 3.055 ( -0.000 0.000 -22.742) 22.742 3.055 ( -0.000 0.000 -22.742) 22.742 4.492 ( 0.000 -0.000 30.986) 30.986 5.087 ( -0.000 0.000 0.091) 0.091 5.087 ( -0.000 0.000 0.091) 0.091 6.045 ( -0.000 0.000 -8.793) 8.793 6.255 ( -0.000 0.000 -12.595) 12.595 7.291 ( 0.000 0.000 5.211) 5.211 7.291 ( 0.000 -0.000 5.211) 5.211 8.579 ( 0.000 0.000 0.867) 0.867 8.579 ( 0.000 0.000 0.867) 0.867 9.696 ( 0.000 0.000 3.936) 3.936 9.696 ( 0.000 0.000 3.936) 3.936 10.038 ( 0.000 -0.000 5.009) 5.009 10.264 ( -0.000 0.000 -6.714) 6.714 10.697 ( -0.000 0.000 -8.818) 8.818 10.697 ( -0.000 0.000 -8.818) 8.818 13.576 ( 0.000 -0.000 1.175) 1.175 13.722 ( 0.000 0.000 1.275) 1.275 13.722 ( 0.000 -0.000 1.275) 1.275 15.535 ( 0.000 0.000 10.512) 10.512 15.535 ( 0.000 -0.000 10.512) 10.512 17.093 ( -0.000 0.000 -7.550) 7.550 17.093 ( -0.000 0.000 -7.550) 7.550 17.474 ( 0.000 -0.000 0.798) 0.798 20.163 ( -0.000 0.000 -0.947) 0.947 21.768 ( 0.000 -0.000 0.710) 0.710 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -9.577 2.894 24.368) 26.342 2.656 ( 15.710 3.869 14.293) 21.589 2.707 ( -6.573 -2.251 -7.757) 10.414 2.823 ( 0.764 -3.767 -8.164) 9.024 3.166 ( 9.985 6.610 -21.878) 24.941 4.579 ( -4.532 -3.461 17.557) 18.460 5.025 ( -6.817 -2.240 3.465) 7.968 5.130 ( 4.661 1.312 0.174) 4.845 5.970 ( -2.272 -1.508 -10.142) 10.502 6.214 ( 2.710 2.263 -2.609) 4.390 7.318 ( 1.315 1.951 6.581) 6.989 7.386 ( 4.293 2.537 -0.088) 4.987 8.502 ( -6.180 -7.055 -1.331) 9.473 8.645 ( 4.409 4.797 0.408) 6.528 9.612 ( -7.553 -5.611 1.791) 9.578 9.736 ( -0.378 -0.890 5.151) 5.241 9.985 ( -5.430 1.795 -1.575) 5.932 10.302 ( 6.734 4.150 -1.428) 8.038 10.646 ( 2.098 -2.897 -4.767) 5.960 10.994 ( 24.537 16.437 -6.780) 30.302 13.541 ( -7.597 -0.515 1.127) 7.698 13.629 ( -2.098 -9.315 2.705) 9.924 13.751 ( -0.707 3.945 -1.280) 4.207 15.602 ( 5.709 2.553 12.857) 14.297 15.709 ( 6.992 4.583 0.265) 8.364 16.776 ( -15.412 -15.322 1.729) 21.801 17.174 ( 3.886 11.273 -9.681) 15.359 17.688 ( 16.072 6.024 -1.553) 17.234 20.138 ( -1.791 -0.981 -0.645) 2.142 21.714 ( -5.061 -3.066 0.288) 5.925 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -5.683 4.622 17.680) 19.137 2.518 ( -0.399 -2.022 -11.919) 12.096 2.733 ( -2.497 -2.907 -1.198) 4.015 3.045 ( 6.855 5.100 14.955) 17.224 3.229 ( 8.699 0.868 -19.181) 21.079 4.480 ( -8.598 -6.041 0.541) 10.522 4.850 ( -12.962 -5.390 4.915) 14.874 5.357 ( 18.613 7.041 3.958) 20.290 5.883 ( -2.349 1.523 -6.016) 6.635 6.330 ( 6.782 4.113 0.612) 7.955 7.426 ( 3.891 2.724 6.652) 8.174 7.470 ( 4.152 3.811 -2.613) 6.212 8.272 ( -10.232 -8.483 -4.359) 13.988 8.743 ( 2.551 2.694 -0.669) 3.770 9.439 ( -8.917 -3.770 2.491) 9.997 9.661 ( -4.863 -11.031 5.906) 13.424 9.990 ( 0.338 10.212 -5.590) 11.647 10.452 ( 6.212 2.611 -0.143) 6.740 10.665 ( 3.789 0.659 0.715) 3.911 11.551 ( 26.607 15.926 -3.130) 31.167 13.327 ( -15.466 -2.925 1.741) 15.836 13.529 ( -0.123 -13.790 0.930) 13.822 13.798 ( 0.477 8.641 -0.811) 8.692 15.734 ( -3.671 -0.827 -9.946) 10.634 15.909 ( 14.306 9.641 8.732) 19.335 16.481 ( -6.183 -13.847 14.844) 21.220 17.319 ( 7.108 13.258 -10.748) 18.488 17.994 ( 16.041 6.070 -1.849) 17.251 20.090 ( -2.332 -1.232 -0.171) 2.643 21.564 ( -8.425 -5.131 -0.918) 9.907 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 7.470 -4.785 22.789) 24.454 2.553 ( -6.063 -5.764 -20.614) 22.247 2.777 ( -0.602 4.526 9.452) 10.497 2.801 ( -0.909 4.996 10.900) 12.025 3.055 ( 0.721 13.615 -22.300) 26.137 4.645 ( -0.417 -9.564 9.573) 13.539 5.062 ( 1.522 -4.323 -1.074) 4.707 5.126 ( -1.387 5.106 2.996) 6.080 5.914 ( -0.097 -3.083 -5.515) 6.319 6.207 ( 0.360 4.922 -1.602) 5.189 7.347 ( 0.402 2.555 4.461) 5.156 7.388 ( 0.120 4.821 -1.467) 5.041 8.472 ( -1.047 -10.943 1.979) 11.170 8.661 ( 0.449 5.916 -1.275) 6.068 9.627 ( -1.536 -8.559 0.141) 8.697 9.784 ( 2.292 5.171 0.560) 5.684 9.944 ( 0.211 -11.008 1.903) 11.173 10.296 ( 0.495 8.486 -0.478) 8.514 10.651 ( -2.080 2.363 -5.591) 6.416 10.951 ( 1.305 29.298 -1.654) 29.374 13.542 ( -0.771 -6.605 1.077) 6.736 13.663 ( 1.880 -6.102 -0.878) 6.445 13.729 ( -1.095 0.998 0.915) 1.741 15.607 ( -0.353 0.418 11.141) 11.154 15.748 ( 0.282 11.197 -3.228) 11.656 16.853 ( -4.857 -14.234 -5.948) 16.174 17.070 ( 5.803 5.131 1.164) 7.833 17.686 ( -1.209 16.585 -1.257) 16.677 20.136 ( 0.022 -1.977 -0.370) 2.011 21.713 ( -0.063 -6.345 0.377) 6.357 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -2.452 -5.471 -21.531) 22.350 2.454 ( 0.048 -0.191 14.009) 14.010 2.747 ( -1.852 -2.678 2.085) 3.866 3.055 ( 3.102 7.731 -4.856) 9.642 3.116 ( 6.304 9.771 7.760) 13.979 4.531 ( -5.826 -9.675 1.004) 11.338 4.941 ( -4.774 -10.000 -2.022) 11.264 5.269 ( 6.654 13.051 3.747) 15.121 5.872 ( -0.163 -1.611 -1.523) 2.223 6.292 ( 3.649 7.097 -1.326) 8.090 7.412 ( 0.931 3.239 -2.073) 3.957 7.445 ( 3.953 4.912 -0.106) 6.306 8.334 ( -6.042 -9.715 3.122) 11.859 8.718 ( 2.354 2.580 -0.357) 3.511 9.477 ( -4.771 -10.132 0.365) 11.205 9.764 ( -11.032 -2.687 4.327) 12.151 9.923 ( 8.980 0.256 -8.953) 12.683 10.412 ( 2.753 6.816 -0.599) 7.376 10.662 ( 2.343 2.932 3.832) 5.363 11.379 ( 15.944 28.484 -2.022) 32.706 13.412 ( -1.584 -14.132 -0.393) 14.225 13.571 ( -13.853 1.373 1.740) 14.029 13.757 ( 7.245 -1.846 -1.667) 7.660 15.729 ( 4.556 2.710 7.242) 8.975 15.834 ( 2.517 8.497 -8.428) 12.230 16.614 ( -8.424 -9.470 9.956) 16.117 17.212 ( 7.768 8.736 -10.506) 15.717 17.908 ( 8.068 14.961 3.494) 17.353 20.103 ( -1.291 -2.249 -0.124) 2.596 21.607 ( -4.776 -8.259 0.326) 9.546 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 0.000 -0.000 0.000) 0.000 2.541 ( 0.000 -0.000 0.000) 0.000 2.731 ( 0.000 0.000 -0.000) 0.000 2.731 ( -0.000 0.000 -0.000) 0.000 2.817 ( 0.000 -0.000 0.000) 0.000 4.790 ( 0.000 -0.000 0.000) 0.000 5.088 ( 0.000 -0.000 0.000) 0.000 5.088 ( 0.000 -0.000 0.000) 0.000 5.924 ( 0.000 -0.000 0.000) 0.000 6.159 ( 0.000 -0.000 0.000) 0.000 7.338 ( 0.000 -0.000 0.000) 0.000 7.338 ( 0.000 -0.000 0.000) 0.000 8.584 ( 0.000 0.000 0.000) 0.000 8.584 ( 0.000 -0.000 0.000) 0.000 9.732 ( 0.000 -0.000 0.000) 0.000 9.732 ( 0.000 -0.000 0.000) 0.000 10.103 ( -0.000 0.000 -0.000) 0.000 10.185 ( 0.000 -0.000 0.000) 0.000 10.619 ( 0.000 -0.000 0.000) 0.000 10.619 ( 0.000 -0.000 0.000) 0.000 13.586 ( 0.000 -0.000 0.000) 0.000 13.732 ( 0.000 -0.000 0.000) 0.000 13.732 ( 0.000 -0.000 0.000) 0.000 15.629 ( 0.000 -0.000 0.000) 0.000 15.629 ( 0.000 -0.000 0.000) 0.000 17.024 ( 0.000 -0.000 0.000) 0.000 17.024 ( 0.000 -0.000 0.000) 0.000 17.481 ( 0.000 -0.000 0.000) 0.000 20.154 ( 0.000 -0.000 0.000) 0.000 21.774 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/51840 10.0 1166.347 1166.347 1056.797 0.000 -0.000 0.000 3/51840 20.0 462.227 462.227 464.050 0.000 -0.000 0.000 3/51840 30.0 206.703 206.703 206.044 0.000 -0.000 0.000 3/51840 40.0 115.883 115.883 115.973 0.000 -0.000 0.000 3/51840 50.0 75.564 75.564 75.726 0.000 -0.000 0.000 3/51840 60.0 54.033 54.033 54.066 0.000 -0.000 0.000 3/51840 70.0 41.067 41.067 40.972 0.000 -0.000 0.000 3/51840 80.0 32.614 32.614 32.424 0.000 -0.000 0.000 3/51840 90.0 26.782 26.782 26.529 0.000 -0.000 0.000 3/51840 100.0 22.578 22.578 22.286 0.000 -0.000 0.000 3/51840 110.0 19.441 19.441 19.126 0.000 -0.000 0.000 3/51840 120.0 17.031 17.031 16.704 0.000 -0.000 0.000 3/51840 130.0 15.133 15.133 14.803 0.000 -0.000 0.000 3/51840 140.0 13.606 13.606 13.279 0.000 -0.000 0.000 3/51840 150.0 12.357 12.357 12.036 0.000 -0.000 0.000 3/51840 160.0 11.318 11.318 11.004 0.000 -0.000 0.000 3/51840 170.0 10.441 10.441 10.137 0.000 -0.000 0.000 3/51840 180.0 9.693 9.693 9.399 0.000 -0.000 0.000 3/51840 190.0 9.047 9.047 8.763 0.000 -0.000 0.000 3/51840 200.0 8.484 8.484 8.211 0.000 -0.000 0.000 3/51840 210.0 7.990 7.990 7.726 0.000 -0.000 0.000 3/51840 220.0 7.552 7.552 7.298 0.000 -0.000 0.000 3/51840 230.0 7.161 7.161 6.917 0.000 -0.000 0.000 3/51840 240.0 6.810 6.810 6.575 0.000 -0.000 0.000 3/51840 250.0 6.494 6.494 6.268 0.000 -0.000 0.000 3/51840 260.0 6.207 6.207 5.989 0.000 -0.000 0.000 3/51840 270.0 5.945 5.945 5.735 0.000 -0.000 0.000 3/51840 280.0 5.705 5.705 5.502 0.000 -0.000 0.000 3/51840 290.0 5.485 5.485 5.289 0.000 -0.000 0.000 3/51840 300.0 5.281 5.281 5.092 0.000 -0.000 0.000 3/51840 310.0 5.093 5.093 4.910 0.000 -0.000 0.000 3/51840 320.0 4.918 4.918 4.741 0.000 -0.000 0.000 3/51840 330.0 4.756 4.756 4.584 0.000 -0.000 0.000 3/51840 340.0 4.604 4.604 4.438 0.000 -0.000 0.000 3/51840 350.0 4.462 4.462 4.300 0.000 -0.000 0.000 3/51840 360.0 4.328 4.328 4.172 0.000 -0.000 0.000 3/51840 370.0 4.203 4.203 4.051 0.000 -0.000 0.000 3/51840 380.0 4.085 4.085 3.937 0.000 -0.000 0.000 3/51840 390.0 3.974 3.974 3.830 0.000 -0.000 0.000 3/51840 400.0 3.868 3.868 3.728 0.000 -0.000 0.000 3/51840 410.0 3.769 3.769 3.632 0.000 -0.000 0.000 3/51840 420.0 3.674 3.674 3.541 0.000 -0.000 0.000 3/51840 430.0 3.584 3.584 3.455 0.000 -0.000 0.000 3/51840 440.0 3.499 3.499 3.372 0.000 -0.000 0.000 3/51840 450.0 3.417 3.417 3.294 0.000 -0.000 0.000 3/51840 460.0 3.340 3.340 3.219 0.000 -0.000 0.000 3/51840 470.0 3.266 3.266 3.148 0.000 -0.000 0.000 3/51840 480.0 3.195 3.195 3.080 0.000 -0.000 0.000 3/51840 490.0 3.127 3.127 3.015 0.000 -0.000 0.000 3/51840 500.0 3.063 3.063 2.952 0.000 -0.000 0.000 3/51840 510.0 3.000 3.000 2.892 0.000 -0.000 0.000 3/51840 520.0 2.941 2.941 2.835 0.000 -0.000 0.000 3/51840 530.0 2.884 2.884 2.780 0.000 -0.000 0.000 3/51840 540.0 2.829 2.829 2.727 0.000 -0.000 0.000 3/51840 550.0 2.776 2.776 2.676 0.000 -0.000 0.000 3/51840 560.0 2.725 2.725 2.627 0.000 -0.000 0.000 3/51840 570.0 2.676 2.676 2.579 0.000 -0.000 0.000 3/51840 580.0 2.628 2.628 2.534 0.000 -0.000 0.000 3/51840 590.0 2.583 2.583 2.490 0.000 -0.000 0.000 3/51840 600.0 2.538 2.538 2.447 0.000 -0.000 0.000 3/51840 610.0 2.496 2.496 2.406 0.000 -0.000 0.000 3/51840 620.0 2.455 2.455 2.367 0.000 -0.000 0.000 3/51840 630.0 2.415 2.415 2.328 0.000 -0.000 0.000 3/51840 640.0 2.376 2.376 2.291 0.000 -0.000 0.000 3/51840 650.0 2.339 2.339 2.255 0.000 -0.000 0.000 3/51840 660.0 2.303 2.303 2.221 0.000 -0.000 0.000 3/51840 670.0 2.268 2.268 2.187 0.000 -0.000 0.000 3/51840 680.0 2.234 2.234 2.154 0.000 -0.000 0.000 3/51840 690.0 2.201 2.201 2.122 0.000 -0.000 0.000 3/51840 700.0 2.169 2.169 2.092 0.000 -0.000 0.000 3/51840 710.0 2.138 2.138 2.062 0.000 -0.000 0.000 3/51840 720.0 2.108 2.108 2.033 0.000 -0.000 0.000 3/51840 730.0 2.079 2.079 2.004 0.000 -0.000 0.000 3/51840 740.0 2.050 2.050 1.977 0.000 -0.000 0.000 3/51840 750.0 2.022 2.022 1.950 0.000 -0.000 0.000 3/51840 760.0 1.995 1.995 1.924 0.000 -0.000 0.000 3/51840 770.0 1.969 1.969 1.899 0.000 -0.000 0.000 3/51840 780.0 1.943 1.943 1.874 0.000 -0.000 0.000 3/51840 790.0 1.919 1.919 1.850 0.000 -0.000 0.000 3/51840 800.0 1.894 1.894 1.827 0.000 -0.000 0.000 3/51840 810.0 1.871 1.871 1.804 0.000 -0.000 0.000 3/51840 820.0 1.848 1.848 1.782 0.000 -0.000 0.000 3/51840 830.0 1.825 1.825 1.760 0.000 -0.000 0.000 3/51840 840.0 1.803 1.803 1.739 0.000 -0.000 0.000 3/51840 850.0 1.782 1.782 1.718 0.000 -0.000 0.000 3/51840 860.0 1.761 1.761 1.698 0.000 -0.000 0.000 3/51840 870.0 1.740 1.740 1.678 0.000 -0.000 0.000 3/51840 880.0 1.720 1.720 1.659 0.000 -0.000 0.000 3/51840 890.0 1.701 1.701 1.640 0.000 -0.000 0.000 3/51840 900.0 1.682 1.682 1.622 0.000 -0.000 0.000 3/51840 910.0 1.663 1.663 1.604 0.000 -0.000 0.000 3/51840 920.0 1.645 1.645 1.586 0.000 -0.000 0.000 3/51840 930.0 1.627 1.627 1.569 0.000 -0.000 0.000 3/51840 940.0 1.610 1.610 1.552 0.000 -0.000 0.000 3/51840 950.0 1.592 1.592 1.536 0.000 -0.000 0.000 3/51840 960.0 1.576 1.576 1.520 0.000 -0.000 0.000 3/51840 970.0 1.559 1.559 1.504 0.000 -0.000 0.000 3/51840 980.0 1.543 1.543 1.489 0.000 -0.000 0.000 3/51840 990.0 1.528 1.528 1.474 0.000 -0.000 0.000 3/51840 1000.0 1.512 1.512 1.459 0.000 -0.000 0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:23:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|