----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:39:34]------------------------- 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 2.478335773348310 1.430867825884923 5.602604946666660 b -2.478335773348305 1.430867825884923 5.602604946666660 c 0.000000000000002 -2.861735651769851 5.602604946666660 Atomic positions (fractional): *1 B 0.76484136434147 0.76484136434147 0.76484136434147 10.811 2 B 0.23515863565853 0.23515863565853 0.23515863565853 10.811 *3 O 0.50605852414736 0.05853902780480 0.71911183055058 15.999 4 O 0.71911183055058 0.50605852414737 0.05853902780480 15.999 5 O 0.94146097219520 0.28088816944942 0.49394147585264 15.999 6 O 0.49394147585263 0.94146097219520 0.28088816944942 15.999 7 O 0.28088816944942 0.49394147585263 0.94146097219520 15.999 8 O 0.05853902780480 0.71911183055058 0.50605852414736 15.999 *9 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 *10 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.956671546696616 0.000000000000000 0.000000000000000 b -2.478335773348308 4.292603477654775 0.000000000000000 c 0.000000000000000 0.000000000000000 16.807814839999999 Atomic positions (fractional): *1 B 0.66666666666667 0.33333333333333 0.09817469767480 10.811 > 1 2 B 0.00000000000000 0.00000000000000 0.23515863565853 10.811 > 2 3 B 0.33333333333333 0.66666666666667 0.43150803100813 10.811 > 1 4 B 0.66666666666667 0.33333333333333 0.56849196899187 10.811 > 2 5 B 0.00000000000000 0.00000000000000 0.76484136434147 10.811 > 1 6 B 0.33333333333333 0.66666666666667 0.90182530232520 10.811 > 2 *7 O 0.41148872997978 0.37545796361700 0.09456979416758 15.999 > 3 8 O 0.62454203638300 0.03603076636278 0.09456979416758 15.999 > 4 9 O 0.70269743302945 0.74482206331312 0.23876353916575 15.999 > 5 10 O 0.25517793668688 0.95787536971633 0.23876353916575 15.999 > 6 11 O 0.04212463028367 0.29730256697055 0.23876353916575 15.999 > 7 12 O 0.96396923363722 0.58851127002022 0.09456979416758 15.999 > 8 13 O 0.07815539664645 0.70879129695034 0.42790312750092 15.999 > 3 14 O 0.29120870304966 0.36936409969611 0.42790312750092 15.999 > 4 15 O 0.36936409969611 0.07815539664645 0.57209687249909 15.999 > 5 16 O 0.92184460335355 0.29120870304966 0.57209687249909 15.999 > 6 17 O 0.70879129695034 0.63063590030389 0.57209687249909 15.999 > 7 18 O 0.63063590030389 0.92184460335355 0.42790312750092 15.999 > 8 19 O 0.74482206331312 0.04212463028367 0.76123646083425 15.999 > 3 20 O 0.95787536971633 0.70269743302945 0.76123646083425 15.999 > 4 21 O 0.03603076636278 0.41148872997978 0.90543020583242 15.999 > 5 22 O 0.58851127002022 0.62454203638300 0.90543020583242 15.999 > 6 23 O 0.37545796361700 0.96396923363722 0.90543020583242 15.999 > 7 24 O 0.29730256697055 0.25517793668688 0.76123646083425 15.999 > 8 *25 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 9 26 Sr 0.66666666666667 0.33333333333333 0.33333333333333 87.620 > 9 27 Sr 0.33333333333333 0.66666666666667 0.66666666666667 87.620 > 9 *28 Sn 0.33333333333333 0.66666666666667 0.16666666666667 118.710 > 10 29 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 10 30 Sn 0.66666666666667 0.33333333333333 0.83333333333333 118.710 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.913343093393232 0.000000000000000 0.000000000000000 b -4.956671546696616 8.585206955309550 0.000000000000000 c 0.000000000000000 0.000000000000000 16.807814839999999 Atomic positions (fractional): *1 B 0.33333333333333 0.16666666666667 0.09817469767480 10.811 > 1 2 B 0.83333333333333 0.16666666666667 0.09817469767480 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.09817469767480 10.811 > 1 4 B 0.83333333333333 0.66666666666667 0.09817469767480 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.23515863565853 10.811 > 2 6 B 0.50000000000000 0.00000000000000 0.23515863565853 10.811 > 2 7 B 0.00000000000000 0.50000000000000 0.23515863565853 10.811 > 2 8 B 0.50000000000000 0.50000000000000 0.23515863565853 10.811 > 2 9 B 0.16666666666667 0.33333333333333 0.43150803100813 10.811 > 1 10 B 0.66666666666667 0.33333333333333 0.43150803100813 10.811 > 1 11 B 0.16666666666667 0.83333333333333 0.43150803100813 10.811 > 1 12 B 0.66666666666667 0.83333333333333 0.43150803100813 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.56849196899187 10.811 > 2 14 B 0.83333333333333 0.16666666666667 0.56849196899187 10.811 > 2 15 B 0.33333333333333 0.66666666666667 0.56849196899187 10.811 > 2 16 B 0.83333333333333 0.66666666666667 0.56849196899187 10.811 > 2 17 B 0.00000000000000 0.00000000000000 0.76484136434147 10.811 > 1 18 B 0.50000000000000 0.00000000000000 0.76484136434147 10.811 > 1 19 B 0.00000000000000 0.50000000000000 0.76484136434147 10.811 > 1 20 B 0.50000000000000 0.50000000000000 0.76484136434147 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.90182530232520 10.811 > 2 22 B 0.66666666666667 0.33333333333333 0.90182530232520 10.811 > 2 23 B 0.16666666666667 0.83333333333333 0.90182530232520 10.811 > 2 24 B 0.66666666666667 0.83333333333333 0.90182530232520 10.811 > 2 *25 O 0.20574436498989 0.18772898180850 0.09456979416758 15.999 > 3 26 O 0.70574436498989 0.18772898180850 0.09456979416758 15.999 > 3 27 O 0.20574436498989 0.68772898180850 0.09456979416758 15.999 > 3 28 O 0.70574436498989 0.68772898180850 0.09456979416758 15.999 > 3 29 O 0.31227101819150 0.01801538318139 0.09456979416758 15.999 > 4 30 O 0.81227101819150 0.01801538318139 0.09456979416758 15.999 > 4 31 O 0.31227101819150 0.51801538318139 0.09456979416758 15.999 > 4 32 O 0.81227101819150 0.51801538318139 0.09456979416758 15.999 > 4 33 O 0.35134871651472 0.37241103165656 0.23876353916575 15.999 > 5 34 O 0.85134871651472 0.37241103165656 0.23876353916575 15.999 > 5 35 O 0.35134871651472 0.87241103165656 0.23876353916575 15.999 > 5 36 O 0.85134871651472 0.87241103165656 0.23876353916575 15.999 > 5 37 O 0.12758896834344 0.47893768485816 0.23876353916575 15.999 > 6 38 O 0.62758896834344 0.47893768485816 0.23876353916575 15.999 > 6 39 O 0.12758896834344 0.97893768485816 0.23876353916575 15.999 > 6 40 O 0.62758896834344 0.97893768485816 0.23876353916575 15.999 > 6 41 O 0.02106231514184 0.14865128348528 0.23876353916575 15.999 > 7 42 O 0.52106231514184 0.14865128348528 0.23876353916575 15.999 > 7 43 O 0.02106231514184 0.64865128348528 0.23876353916575 15.999 > 7 44 O 0.52106231514184 0.64865128348528 0.23876353916575 15.999 > 7 45 O 0.48198461681861 0.29425563501011 0.09456979416758 15.999 > 8 46 O 0.98198461681861 0.29425563501011 0.09456979416758 15.999 > 8 47 O 0.48198461681861 0.79425563501011 0.09456979416758 15.999 > 8 48 O 0.98198461681861 0.79425563501011 0.09456979416758 15.999 > 8 49 O 0.03907769832323 0.35439564847517 0.42790312750092 15.999 > 3 50 O 0.53907769832323 0.35439564847517 0.42790312750092 15.999 > 3 51 O 0.03907769832323 0.85439564847517 0.42790312750092 15.999 > 3 52 O 0.53907769832323 0.85439564847517 0.42790312750092 15.999 > 3 53 O 0.14560435152483 0.18468204984806 0.42790312750092 15.999 > 4 54 O 0.64560435152483 0.18468204984806 0.42790312750092 15.999 > 4 55 O 0.14560435152483 0.68468204984806 0.42790312750092 15.999 > 4 56 O 0.64560435152483 0.68468204984806 0.42790312750092 15.999 > 4 57 O 0.18468204984806 0.03907769832323 0.57209687249909 15.999 > 5 58 O 0.68468204984806 0.03907769832323 0.57209687249909 15.999 > 5 59 O 0.18468204984806 0.53907769832323 0.57209687249909 15.999 > 5 60 O 0.68468204984806 0.53907769832323 0.57209687249909 15.999 > 5 61 O 0.46092230167677 0.14560435152483 0.57209687249909 15.999 > 6 62 O 0.96092230167677 0.14560435152483 0.57209687249909 15.999 > 6 63 O 0.46092230167677 0.64560435152483 0.57209687249909 15.999 > 6 64 O 0.96092230167677 0.64560435152483 0.57209687249909 15.999 > 6 65 O 0.35439564847517 0.31531795015194 0.57209687249909 15.999 > 7 66 O 0.85439564847517 0.31531795015194 0.57209687249909 15.999 > 7 67 O 0.35439564847517 0.81531795015194 0.57209687249909 15.999 > 7 68 O 0.85439564847517 0.81531795015194 0.57209687249909 15.999 > 7 69 O 0.31531795015194 0.46092230167677 0.42790312750092 15.999 > 8 70 O 0.81531795015194 0.46092230167677 0.42790312750092 15.999 > 8 71 O 0.31531795015194 0.96092230167677 0.42790312750092 15.999 > 8 72 O 0.81531795015194 0.96092230167677 0.42790312750092 15.999 > 8 73 O 0.37241103165656 0.02106231514184 0.76123646083425 15.999 > 3 74 O 0.87241103165656 0.02106231514184 0.76123646083425 15.999 > 3 75 O 0.37241103165656 0.52106231514184 0.76123646083425 15.999 > 3 76 O 0.87241103165656 0.52106231514184 0.76123646083425 15.999 > 3 77 O 0.47893768485816 0.35134871651472 0.76123646083425 15.999 > 4 78 O 0.97893768485816 0.35134871651472 0.76123646083425 15.999 > 4 79 O 0.47893768485816 0.85134871651472 0.76123646083425 15.999 > 4 80 O 0.97893768485816 0.85134871651472 0.76123646083425 15.999 > 4 81 O 0.01801538318139 0.20574436498989 0.90543020583242 15.999 > 5 82 O 0.51801538318139 0.20574436498989 0.90543020583242 15.999 > 5 83 O 0.01801538318139 0.70574436498989 0.90543020583242 15.999 > 5 84 O 0.51801538318139 0.70574436498989 0.90543020583242 15.999 > 5 85 O 0.29425563501011 0.31227101819150 0.90543020583242 15.999 > 6 86 O 0.79425563501011 0.31227101819150 0.90543020583242 15.999 > 6 87 O 0.29425563501011 0.81227101819150 0.90543020583242 15.999 > 6 88 O 0.79425563501011 0.81227101819150 0.90543020583242 15.999 > 6 89 O 0.18772898180850 0.48198461681861 0.90543020583242 15.999 > 7 90 O 0.68772898180850 0.48198461681861 0.90543020583242 15.999 > 7 91 O 0.18772898180850 0.98198461681861 0.90543020583242 15.999 > 7 92 O 0.68772898180850 0.98198461681861 0.90543020583242 15.999 > 7 93 O 0.14865128348528 0.12758896834344 0.76123646083425 15.999 > 8 94 O 0.64865128348528 0.12758896834344 0.76123646083425 15.999 > 8 95 O 0.14865128348528 0.62758896834344 0.76123646083425 15.999 > 8 96 O 0.64865128348528 0.62758896834344 0.76123646083425 15.999 > 8 *97 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 9 98 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 9 99 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 9 100 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 9 101 Sr 0.33333333333333 0.16666666666667 0.33333333333333 87.620 > 9 102 Sr 0.83333333333333 0.16666666666667 0.33333333333333 87.620 > 9 103 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 9 104 Sr 0.83333333333333 0.66666666666667 0.33333333333333 87.620 > 9 105 Sr 0.16666666666667 0.33333333333333 0.66666666666667 87.620 > 9 106 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 9 107 Sr 0.16666666666667 0.83333333333333 0.66666666666667 87.620 > 9 108 Sr 0.66666666666667 0.83333333333333 0.66666666666667 87.620 > 9 *109 Sn 0.16666666666667 0.33333333333333 0.16666666666667 118.710 > 10 110 Sn 0.66666666666667 0.33333333333333 0.16666666666667 118.710 > 10 111 Sn 0.16666666666667 0.83333333333333 0.16666666666667 118.710 > 10 112 Sn 0.66666666666667 0.83333333333333 0.16666666666667 118.710 > 10 113 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 10 114 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 10 115 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 10 116 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 10 117 Sn 0.33333333333333 0.16666666666667 0.83333333333333 118.710 > 10 118 Sn 0.83333333333333 0.16666666666667 0.83333333333333 118.710 > 10 119 Sn 0.33333333333333 0.66666666666667 0.83333333333333 118.710 > 10 120 Sn 0.83333333333333 0.66666666666667 0.83333333333333 118.710 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4070968 -0.0000026 0.0000000 0.0000026 3.4070968 0.0000000 0.0000000 0.0000000 2.9033377 -------------------------- Born effective charges -------------------------- 1 B 2.9055330 0.3431075 0.0000000 -0.3431075 2.9055330 -0.0000000 0.0000000 0.0000000 0.5545545 2 B 2.9055330 0.3431075 0.0000000 -0.3431075 2.9055330 -0.0000000 0.0000000 0.0000000 0.5545545 3 O -2.6479232 0.1677989 0.0830229 0.3089274 -1.5527878 -0.2961722 0.0627919 -0.2730807 -1.2629712 4 O -1.6201431 0.2844617 0.2149812 0.4255903 -2.5805679 0.2199860 0.2050988 0.1909197 -1.2629712 5 O -2.0330002 -0.6639534 -0.2980041 -0.5228249 -2.1677108 0.0761862 -0.2678908 0.0821609 -1.2629712 6 O -2.6479232 0.1677989 0.0830229 0.3089274 -1.5527878 -0.2961722 0.0627919 -0.2730807 -1.2629712 7 O -1.6201431 0.2844617 0.2149812 0.4255903 -2.5805679 0.2199860 0.2050988 0.1909197 -1.2629712 8 O -2.0330002 -0.6639534 -0.2980041 -0.5228249 -2.1677108 0.0761862 -0.2678908 0.0821609 -1.2629712 9 Sr 2.4555338 0.0263965 0.0000000 -0.0263965 2.4555338 -0.0000000 0.0000000 0.0000000 2.9716466 10 Sn 4.3355332 -0.2892258 0.0000000 0.2892258 4.3355332 -0.0000000 0.0000000 0.0000000 3.4970716 ---------------------------------------------------------------------------- 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: 7032/7032 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 468 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: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 126 Use standard eigh solver. Tree of FC basis block matrices: - (952, 935), data: False |-- (126, 122), data: True |-- (388, 384), data: True |-- (438, 429), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.015 Solver_block: 100 / 240 - Time: 1.089 Solver_block: 200 / 240 - Time: 1.067 Solver_block: 240 / 240 - Time: 0.486 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.670 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7032/7032 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 468 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: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 126 Use standard eigh solver. Tree of FC basis block matrices: - (952, 935), data: False |-- (126, 122), data: True |-- (388, 384), data: True |-- (438, 429), 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 2026-01-07 22:39:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:39:51]------------------------- 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 2.478335773348310 1.430867825884923 5.602604946666660 b -2.478335773348305 1.430867825884923 5.602604946666660 c 0.000000000000002 -2.861735651769851 5.602604946666660 Atomic positions (fractional): 1 B 0.76484136434147 0.76484136434147 0.76484136434147 10.811 2 B 0.23515863565853 0.23515863565853 0.23515863565853 10.811 3 O 0.50605852414736 0.05853902780480 0.71911183055058 15.999 4 O 0.71911183055058 0.50605852414737 0.05853902780480 15.999 5 O 0.94146097219520 0.28088816944942 0.49394147585264 15.999 6 O 0.49394147585263 0.94146097219520 0.28088816944942 15.999 7 O 0.28088816944942 0.49394147585263 0.94146097219520 15.999 8 O 0.05853902780480 0.71911183055058 0.50605852414736 15.999 9 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 10 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.913343093393232 0.000000000000000 0.000000000000000 b -4.956671546696616 8.585206955309550 0.000000000000000 c 0.000000000000000 0.000000000000000 16.807814839999999 Atomic positions (fractional): 1 B 0.33333333333333 0.16666666666667 0.09817469767480 10.811 > 1 2 B 0.83333333333333 0.16666666666667 0.09817469767480 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.09817469767480 10.811 > 1 4 B 0.83333333333333 0.66666666666667 0.09817469767480 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.23515863565853 10.811 > 5 6 B 0.50000000000000 0.00000000000000 0.23515863565853 10.811 > 5 7 B 0.00000000000000 0.50000000000000 0.23515863565853 10.811 > 5 8 B 0.50000000000000 0.50000000000000 0.23515863565853 10.811 > 5 9 B 0.16666666666667 0.33333333333333 0.43150803100813 10.811 > 1 10 B 0.66666666666667 0.33333333333333 0.43150803100813 10.811 > 1 11 B 0.16666666666667 0.83333333333333 0.43150803100813 10.811 > 1 12 B 0.66666666666667 0.83333333333333 0.43150803100813 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.56849196899187 10.811 > 5 14 B 0.83333333333333 0.16666666666667 0.56849196899187 10.811 > 5 15 B 0.33333333333333 0.66666666666667 0.56849196899187 10.811 > 5 16 B 0.83333333333333 0.66666666666667 0.56849196899187 10.811 > 5 17 B 0.00000000000000 0.00000000000000 0.76484136434147 10.811 > 1 18 B 0.50000000000000 0.00000000000000 0.76484136434147 10.811 > 1 19 B 0.00000000000000 0.50000000000000 0.76484136434147 10.811 > 1 20 B 0.50000000000000 0.50000000000000 0.76484136434147 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.90182530232520 10.811 > 5 22 B 0.66666666666667 0.33333333333333 0.90182530232520 10.811 > 5 23 B 0.16666666666667 0.83333333333333 0.90182530232520 10.811 > 5 24 B 0.66666666666667 0.83333333333333 0.90182530232520 10.811 > 5 25 O 0.20574436498989 0.18772898180850 0.09456979416758 15.999 > 25 26 O 0.70574436498989 0.18772898180850 0.09456979416758 15.999 > 25 27 O 0.20574436498989 0.68772898180850 0.09456979416758 15.999 > 25 28 O 0.70574436498989 0.68772898180850 0.09456979416758 15.999 > 25 29 O 0.31227101819150 0.01801538318139 0.09456979416758 15.999 > 29 30 O 0.81227101819150 0.01801538318139 0.09456979416758 15.999 > 29 31 O 0.31227101819150 0.51801538318139 0.09456979416758 15.999 > 29 32 O 0.81227101819150 0.51801538318139 0.09456979416758 15.999 > 29 33 O 0.35134871651472 0.37241103165656 0.23876353916575 15.999 > 33 34 O 0.85134871651472 0.37241103165656 0.23876353916575 15.999 > 33 35 O 0.35134871651472 0.87241103165656 0.23876353916575 15.999 > 33 36 O 0.85134871651472 0.87241103165656 0.23876353916575 15.999 > 33 37 O 0.12758896834344 0.47893768485816 0.23876353916575 15.999 > 37 38 O 0.62758896834344 0.47893768485816 0.23876353916575 15.999 > 37 39 O 0.12758896834344 0.97893768485816 0.23876353916575 15.999 > 37 40 O 0.62758896834344 0.97893768485816 0.23876353916575 15.999 > 37 41 O 0.02106231514184 0.14865128348528 0.23876353916575 15.999 > 41 42 O 0.52106231514184 0.14865128348528 0.23876353916575 15.999 > 41 43 O 0.02106231514184 0.64865128348528 0.23876353916575 15.999 > 41 44 O 0.52106231514184 0.64865128348528 0.23876353916575 15.999 > 41 45 O 0.48198461681861 0.29425563501011 0.09456979416758 15.999 > 45 46 O 0.98198461681861 0.29425563501011 0.09456979416758 15.999 > 45 47 O 0.48198461681861 0.79425563501011 0.09456979416758 15.999 > 45 48 O 0.98198461681861 0.79425563501011 0.09456979416758 15.999 > 45 49 O 0.03907769832323 0.35439564847517 0.42790312750092 15.999 > 25 50 O 0.53907769832323 0.35439564847517 0.42790312750092 15.999 > 25 51 O 0.03907769832323 0.85439564847517 0.42790312750092 15.999 > 25 52 O 0.53907769832323 0.85439564847517 0.42790312750092 15.999 > 25 53 O 0.14560435152483 0.18468204984806 0.42790312750092 15.999 > 29 54 O 0.64560435152483 0.18468204984806 0.42790312750092 15.999 > 29 55 O 0.14560435152483 0.68468204984806 0.42790312750092 15.999 > 29 56 O 0.64560435152483 0.68468204984806 0.42790312750092 15.999 > 29 57 O 0.18468204984806 0.03907769832323 0.57209687249909 15.999 > 33 58 O 0.68468204984806 0.03907769832323 0.57209687249909 15.999 > 33 59 O 0.18468204984806 0.53907769832323 0.57209687249909 15.999 > 33 60 O 0.68468204984806 0.53907769832323 0.57209687249909 15.999 > 33 61 O 0.46092230167677 0.14560435152483 0.57209687249909 15.999 > 37 62 O 0.96092230167677 0.14560435152483 0.57209687249909 15.999 > 37 63 O 0.46092230167677 0.64560435152483 0.57209687249909 15.999 > 37 64 O 0.96092230167677 0.64560435152483 0.57209687249909 15.999 > 37 65 O 0.35439564847517 0.31531795015194 0.57209687249909 15.999 > 41 66 O 0.85439564847517 0.31531795015194 0.57209687249909 15.999 > 41 67 O 0.35439564847517 0.81531795015194 0.57209687249909 15.999 > 41 68 O 0.85439564847517 0.81531795015194 0.57209687249909 15.999 > 41 69 O 0.31531795015194 0.46092230167677 0.42790312750092 15.999 > 45 70 O 0.81531795015194 0.46092230167677 0.42790312750092 15.999 > 45 71 O 0.31531795015194 0.96092230167677 0.42790312750092 15.999 > 45 72 O 0.81531795015194 0.96092230167677 0.42790312750092 15.999 > 45 73 O 0.37241103165656 0.02106231514184 0.76123646083425 15.999 > 25 74 O 0.87241103165656 0.02106231514184 0.76123646083425 15.999 > 25 75 O 0.37241103165656 0.52106231514184 0.76123646083425 15.999 > 25 76 O 0.87241103165656 0.52106231514184 0.76123646083425 15.999 > 25 77 O 0.47893768485816 0.35134871651472 0.76123646083425 15.999 > 29 78 O 0.97893768485816 0.35134871651472 0.76123646083425 15.999 > 29 79 O 0.47893768485816 0.85134871651472 0.76123646083425 15.999 > 29 80 O 0.97893768485816 0.85134871651472 0.76123646083425 15.999 > 29 81 O 0.01801538318139 0.20574436498989 0.90543020583242 15.999 > 33 82 O 0.51801538318139 0.20574436498989 0.90543020583242 15.999 > 33 83 O 0.01801538318139 0.70574436498989 0.90543020583242 15.999 > 33 84 O 0.51801538318139 0.70574436498989 0.90543020583242 15.999 > 33 85 O 0.29425563501011 0.31227101819150 0.90543020583242 15.999 > 37 86 O 0.79425563501011 0.31227101819150 0.90543020583242 15.999 > 37 87 O 0.29425563501011 0.81227101819150 0.90543020583242 15.999 > 37 88 O 0.79425563501011 0.81227101819150 0.90543020583242 15.999 > 37 89 O 0.18772898180850 0.48198461681861 0.90543020583242 15.999 > 41 90 O 0.68772898180850 0.48198461681861 0.90543020583242 15.999 > 41 91 O 0.18772898180850 0.98198461681861 0.90543020583242 15.999 > 41 92 O 0.68772898180850 0.98198461681861 0.90543020583242 15.999 > 41 93 O 0.14865128348528 0.12758896834344 0.76123646083425 15.999 > 45 94 O 0.64865128348528 0.12758896834344 0.76123646083425 15.999 > 45 95 O 0.14865128348528 0.62758896834344 0.76123646083425 15.999 > 45 96 O 0.64865128348528 0.62758896834344 0.76123646083425 15.999 > 45 97 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 97 98 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 97 99 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 97 100 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 97 101 Sr 0.33333333333333 0.16666666666667 0.33333333333333 87.620 > 97 102 Sr 0.83333333333333 0.16666666666667 0.33333333333333 87.620 > 97 103 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 97 104 Sr 0.83333333333333 0.66666666666667 0.33333333333333 87.620 > 97 105 Sr 0.16666666666667 0.33333333333333 0.66666666666667 87.620 > 97 106 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 97 107 Sr 0.16666666666667 0.83333333333333 0.66666666666667 87.620 > 97 108 Sr 0.66666666666667 0.83333333333333 0.66666666666667 87.620 > 97 109 Sn 0.16666666666667 0.33333333333333 0.16666666666667 118.710 > 109 110 Sn 0.66666666666667 0.33333333333333 0.16666666666667 118.710 > 109 111 Sn 0.16666666666667 0.83333333333333 0.16666666666667 118.710 > 109 112 Sn 0.66666666666667 0.83333333333333 0.16666666666667 118.710 > 109 113 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 109 114 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 109 115 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 109 116 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 109 117 Sn 0.33333333333333 0.16666666666667 0.83333333333333 118.710 > 109 118 Sn 0.83333333333333 0.16666666666667 0.83333333333333 118.710 > 109 119 Sn 0.33333333333333 0.66666666666667 0.83333333333333 118.710 > 109 120 Sn 0.83333333333333 0.66666666666667 0.83333333333333 118.710 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4070968 -0.0000026 0.0000000 0.0000026 3.4070968 0.0000000 0.0000000 0.0000000 2.9033377 -------------------------- Born effective charges -------------------------- 1 B 2.9055330 0.3431075 0.0000000 -0.3431075 2.9055330 -0.0000000 0.0000000 0.0000000 0.5545545 2 B 2.9055330 0.3431075 0.0000000 -0.3431075 2.9055330 -0.0000000 0.0000000 0.0000000 0.5545545 3 O -2.6479232 0.1677989 0.0830229 0.3089274 -1.5527878 -0.2961722 0.0627919 -0.2730807 -1.2629712 4 O -1.6201431 0.2844617 0.2149812 0.4255903 -2.5805679 0.2199860 0.2050988 0.1909197 -1.2629712 5 O -2.0330002 -0.6639534 -0.2980041 -0.5228249 -2.1677108 0.0761862 -0.2678908 0.0821609 -1.2629712 6 O -2.6479232 0.1677989 0.0830229 0.3089274 -1.5527878 -0.2961722 0.0627919 -0.2730807 -1.2629712 7 O -1.6201431 0.2844617 0.2149812 0.4255903 -2.5805679 0.2199860 0.2050988 0.1909197 -1.2629712 8 O -2.0330002 -0.6639534 -0.2980041 -0.5228249 -2.1677108 0.0761862 -0.2678908 0.0821609 -1.2629712 9 Sr 2.4555338 0.0263965 0.0000000 -0.0263965 2.4555338 -0.0000000 0.0000000 0.0000000 2.9716466 10 Sn 4.3355332 -0.2892258 0.0000000 0.2892258 4.3355332 -0.0000000 0.0000000 0.0000000 3.4970716 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Computing fc3[ 109, 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: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000027 (yx) 0.00000027 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:40:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:40:04]------------------------- 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 2.478335773348310 1.430867825884923 5.602604946666660 b -2.478335773348305 1.430867825884923 5.602604946666660 c 0.000000000000002 -2.861735651769851 5.602604946666660 Atomic positions (fractional): 1 B 0.76484136434147 0.76484136434147 0.76484136434147 10.811 2 B 0.23515863565853 0.23515863565853 0.23515863565853 10.811 3 O 0.50605852414736 0.05853902780480 0.71911183055058 15.999 4 O 0.71911183055058 0.50605852414737 0.05853902780480 15.999 5 O 0.94146097219520 0.28088816944942 0.49394147585264 15.999 6 O 0.49394147585263 0.94146097219520 0.28088816944942 15.999 7 O 0.28088816944942 0.49394147585263 0.94146097219520 15.999 8 O 0.05853902780480 0.71911183055058 0.50605852414736 15.999 9 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 10 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.913343093393232 0.000000000000000 0.000000000000000 b -4.956671546696616 8.585206955309550 0.000000000000000 c 0.000000000000000 0.000000000000000 16.807814839999999 Atomic positions (fractional): 1 B 0.33333333333333 0.16666666666667 0.09817469767480 10.811 > 1 2 B 0.83333333333333 0.16666666666667 0.09817469767480 10.811 > 1 3 B 0.33333333333333 0.66666666666667 0.09817469767480 10.811 > 1 4 B 0.83333333333333 0.66666666666667 0.09817469767480 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.23515863565853 10.811 > 5 6 B 0.50000000000000 0.00000000000000 0.23515863565853 10.811 > 5 7 B 0.00000000000000 0.50000000000000 0.23515863565853 10.811 > 5 8 B 0.50000000000000 0.50000000000000 0.23515863565853 10.811 > 5 9 B 0.16666666666667 0.33333333333333 0.43150803100813 10.811 > 1 10 B 0.66666666666667 0.33333333333333 0.43150803100813 10.811 > 1 11 B 0.16666666666667 0.83333333333333 0.43150803100813 10.811 > 1 12 B 0.66666666666667 0.83333333333333 0.43150803100813 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.56849196899187 10.811 > 5 14 B 0.83333333333333 0.16666666666667 0.56849196899187 10.811 > 5 15 B 0.33333333333333 0.66666666666667 0.56849196899187 10.811 > 5 16 B 0.83333333333333 0.66666666666667 0.56849196899187 10.811 > 5 17 B 0.00000000000000 0.00000000000000 0.76484136434147 10.811 > 1 18 B 0.50000000000000 0.00000000000000 0.76484136434147 10.811 > 1 19 B 0.00000000000000 0.50000000000000 0.76484136434147 10.811 > 1 20 B 0.50000000000000 0.50000000000000 0.76484136434147 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.90182530232520 10.811 > 5 22 B 0.66666666666667 0.33333333333333 0.90182530232520 10.811 > 5 23 B 0.16666666666667 0.83333333333333 0.90182530232520 10.811 > 5 24 B 0.66666666666667 0.83333333333333 0.90182530232520 10.811 > 5 25 O 0.20574436498989 0.18772898180850 0.09456979416758 15.999 > 25 26 O 0.70574436498989 0.18772898180850 0.09456979416758 15.999 > 25 27 O 0.20574436498989 0.68772898180850 0.09456979416758 15.999 > 25 28 O 0.70574436498989 0.68772898180850 0.09456979416758 15.999 > 25 29 O 0.31227101819150 0.01801538318139 0.09456979416758 15.999 > 29 30 O 0.81227101819150 0.01801538318139 0.09456979416758 15.999 > 29 31 O 0.31227101819150 0.51801538318139 0.09456979416758 15.999 > 29 32 O 0.81227101819150 0.51801538318139 0.09456979416758 15.999 > 29 33 O 0.35134871651472 0.37241103165656 0.23876353916575 15.999 > 33 34 O 0.85134871651472 0.37241103165656 0.23876353916575 15.999 > 33 35 O 0.35134871651472 0.87241103165656 0.23876353916575 15.999 > 33 36 O 0.85134871651472 0.87241103165656 0.23876353916575 15.999 > 33 37 O 0.12758896834344 0.47893768485816 0.23876353916575 15.999 > 37 38 O 0.62758896834344 0.47893768485816 0.23876353916575 15.999 > 37 39 O 0.12758896834344 0.97893768485816 0.23876353916575 15.999 > 37 40 O 0.62758896834344 0.97893768485816 0.23876353916575 15.999 > 37 41 O 0.02106231514184 0.14865128348528 0.23876353916575 15.999 > 41 42 O 0.52106231514184 0.14865128348528 0.23876353916575 15.999 > 41 43 O 0.02106231514184 0.64865128348528 0.23876353916575 15.999 > 41 44 O 0.52106231514184 0.64865128348528 0.23876353916575 15.999 > 41 45 O 0.48198461681861 0.29425563501011 0.09456979416758 15.999 > 45 46 O 0.98198461681861 0.29425563501011 0.09456979416758 15.999 > 45 47 O 0.48198461681861 0.79425563501011 0.09456979416758 15.999 > 45 48 O 0.98198461681861 0.79425563501011 0.09456979416758 15.999 > 45 49 O 0.03907769832323 0.35439564847517 0.42790312750092 15.999 > 25 50 O 0.53907769832323 0.35439564847517 0.42790312750092 15.999 > 25 51 O 0.03907769832323 0.85439564847517 0.42790312750092 15.999 > 25 52 O 0.53907769832323 0.85439564847517 0.42790312750092 15.999 > 25 53 O 0.14560435152483 0.18468204984806 0.42790312750092 15.999 > 29 54 O 0.64560435152483 0.18468204984806 0.42790312750092 15.999 > 29 55 O 0.14560435152483 0.68468204984806 0.42790312750092 15.999 > 29 56 O 0.64560435152483 0.68468204984806 0.42790312750092 15.999 > 29 57 O 0.18468204984806 0.03907769832323 0.57209687249909 15.999 > 33 58 O 0.68468204984806 0.03907769832323 0.57209687249909 15.999 > 33 59 O 0.18468204984806 0.53907769832323 0.57209687249909 15.999 > 33 60 O 0.68468204984806 0.53907769832323 0.57209687249909 15.999 > 33 61 O 0.46092230167677 0.14560435152483 0.57209687249909 15.999 > 37 62 O 0.96092230167677 0.14560435152483 0.57209687249909 15.999 > 37 63 O 0.46092230167677 0.64560435152483 0.57209687249909 15.999 > 37 64 O 0.96092230167677 0.64560435152483 0.57209687249909 15.999 > 37 65 O 0.35439564847517 0.31531795015194 0.57209687249909 15.999 > 41 66 O 0.85439564847517 0.31531795015194 0.57209687249909 15.999 > 41 67 O 0.35439564847517 0.81531795015194 0.57209687249909 15.999 > 41 68 O 0.85439564847517 0.81531795015194 0.57209687249909 15.999 > 41 69 O 0.31531795015194 0.46092230167677 0.42790312750092 15.999 > 45 70 O 0.81531795015194 0.46092230167677 0.42790312750092 15.999 > 45 71 O 0.31531795015194 0.96092230167677 0.42790312750092 15.999 > 45 72 O 0.81531795015194 0.96092230167677 0.42790312750092 15.999 > 45 73 O 0.37241103165656 0.02106231514184 0.76123646083425 15.999 > 25 74 O 0.87241103165656 0.02106231514184 0.76123646083425 15.999 > 25 75 O 0.37241103165656 0.52106231514184 0.76123646083425 15.999 > 25 76 O 0.87241103165656 0.52106231514184 0.76123646083425 15.999 > 25 77 O 0.47893768485816 0.35134871651472 0.76123646083425 15.999 > 29 78 O 0.97893768485816 0.35134871651472 0.76123646083425 15.999 > 29 79 O 0.47893768485816 0.85134871651472 0.76123646083425 15.999 > 29 80 O 0.97893768485816 0.85134871651472 0.76123646083425 15.999 > 29 81 O 0.01801538318139 0.20574436498989 0.90543020583242 15.999 > 33 82 O 0.51801538318139 0.20574436498989 0.90543020583242 15.999 > 33 83 O 0.01801538318139 0.70574436498989 0.90543020583242 15.999 > 33 84 O 0.51801538318139 0.70574436498989 0.90543020583242 15.999 > 33 85 O 0.29425563501011 0.31227101819150 0.90543020583242 15.999 > 37 86 O 0.79425563501011 0.31227101819150 0.90543020583242 15.999 > 37 87 O 0.29425563501011 0.81227101819150 0.90543020583242 15.999 > 37 88 O 0.79425563501011 0.81227101819150 0.90543020583242 15.999 > 37 89 O 0.18772898180850 0.48198461681861 0.90543020583242 15.999 > 41 90 O 0.68772898180850 0.48198461681861 0.90543020583242 15.999 > 41 91 O 0.18772898180850 0.98198461681861 0.90543020583242 15.999 > 41 92 O 0.68772898180850 0.98198461681861 0.90543020583242 15.999 > 41 93 O 0.14865128348528 0.12758896834344 0.76123646083425 15.999 > 45 94 O 0.64865128348528 0.12758896834344 0.76123646083425 15.999 > 45 95 O 0.14865128348528 0.62758896834344 0.76123646083425 15.999 > 45 96 O 0.64865128348528 0.62758896834344 0.76123646083425 15.999 > 45 97 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 97 98 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 97 99 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 97 100 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 97 101 Sr 0.33333333333333 0.16666666666667 0.33333333333333 87.620 > 97 102 Sr 0.83333333333333 0.16666666666667 0.33333333333333 87.620 > 97 103 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 97 104 Sr 0.83333333333333 0.66666666666667 0.33333333333333 87.620 > 97 105 Sr 0.16666666666667 0.33333333333333 0.66666666666667 87.620 > 97 106 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 97 107 Sr 0.16666666666667 0.83333333333333 0.66666666666667 87.620 > 97 108 Sr 0.66666666666667 0.83333333333333 0.66666666666667 87.620 > 97 109 Sn 0.16666666666667 0.33333333333333 0.16666666666667 118.710 > 109 110 Sn 0.66666666666667 0.33333333333333 0.16666666666667 118.710 > 109 111 Sn 0.16666666666667 0.83333333333333 0.16666666666667 118.710 > 109 112 Sn 0.66666666666667 0.83333333333333 0.16666666666667 118.710 > 109 113 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 109 114 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 109 115 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 109 116 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 109 117 Sn 0.33333333333333 0.16666666666667 0.83333333333333 118.710 > 109 118 Sn 0.83333333333333 0.16666666666667 0.83333333333333 118.710 > 109 119 Sn 0.33333333333333 0.66666666666667 0.83333333333333 118.710 > 109 120 Sn 0.83333333333333 0.66666666666667 0.83333333333333 118.710 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4070968 -0.0000026 0.0000000 0.0000026 3.4070968 0.0000000 0.0000000 0.0000000 2.9033377 -------------------------- Born effective charges -------------------------- 1 B 2.9055330 0.3431075 0.0000000 -0.3431075 2.9055330 -0.0000000 0.0000000 0.0000000 0.5545545 2 B 2.9055330 0.3431075 0.0000000 -0.3431075 2.9055330 -0.0000000 0.0000000 0.0000000 0.5545545 3 O -2.6479232 0.1677989 0.0830229 0.3089274 -1.5527878 -0.2961722 0.0627919 -0.2730807 -1.2629712 4 O -1.6201431 0.2844617 0.2149812 0.4255903 -2.5805679 0.2199860 0.2050988 0.1909197 -1.2629712 5 O -2.0330002 -0.6639534 -0.2980041 -0.5228249 -2.1677108 0.0761862 -0.2678908 0.0821609 -1.2629712 6 O -2.6479232 0.1677989 0.0830229 0.3089274 -1.5527878 -0.2961722 0.0627919 -0.2730807 -1.2629712 7 O -1.6201431 0.2844617 0.2149812 0.4255903 -2.5805679 0.2199860 0.2050988 0.1909197 -1.2629712 8 O -2.0330002 -0.6639534 -0.2980041 -0.5228249 -2.1677108 0.0761862 -0.2678908 0.0821609 -1.2629712 9 Sr 2.4555338 0.0263965 0.0000000 -0.0263965 2.4555338 -0.0000000 0.0000000 0.0000000 2.9716466 10 Sn 4.3355332 -0.2892258 0.0000000 0.2892258 4.3355332 -0.0000000 0.0000000 0.0000000 3.4970716 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) 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: 0.84, Number of G-points: 297, Lambda: 0.16 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: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-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 3.519 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 0.000 0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 11.152 ( 0.000 0.000 0.000) 0.000 12.479 ( 0.000 0.000 0.000) 0.000 18.413 ( 0.000 0.000 0.000) 0.000 18.413 ( 0.000 0.000 0.000) 0.000 18.732 ( 0.000 0.000 0.000) 0.000 18.732 ( 0.000 0.000 0.000) 0.000 20.915 ( 0.000 0.000 0.000) 0.000 21.330 ( 0.000 0.000 0.000) 0.000 28.225 ( 0.000 0.000 0.000) 0.000 28.226 ( 0.000 0.000 0.000) 0.000 36.499 ( 0.000 0.000 0.000) 0.000 36.499 ( 0.000 0.000 0.000) 0.000 36.717 ( 0.000 0.000 0.000) 0.000 36.717 ( 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: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 14.300 12.058 9.196) 20.843 0.771 ( 43.058 6.400 -4.769) 43.791 1.450 ( 55.650 41.678 13.071) 70.745 3.473 ( -3.989 0.594 -4.222) 5.839 3.886 ( 2.098 2.601 -18.984) 19.276 4.221 ( -11.857 -10.979 32.779) 36.545 5.567 ( 4.345 5.007 -4.952) 8.275 5.748 ( 18.228 8.145 3.847) 20.332 6.206 ( -2.512 -3.345 1.986) 4.631 6.796 ( -5.813 -2.121 0.127) 6.189 7.082 ( -3.601 0.792 -8.849) 9.586 7.233 ( 6.816 3.092 6.147) 9.685 10.669 ( -5.278 -9.002 3.865) 11.128 10.988 ( 8.284 -9.961 -8.783) 15.652 11.037 ( -5.832 9.928 9.282) 14.789 11.254 ( 7.982 9.397 -7.508) 14.436 12.446 ( -2.911 -1.604 -0.160) 3.327 12.665 ( -9.386 -4.335 -9.517) 14.052 18.364 ( -3.354 -3.670 0.418) 4.990 18.428 ( -0.065 3.353 -0.460) 3.385 18.751 ( 1.411 -0.148 1.178) 1.844 18.894 ( -0.130 -0.933 -5.621) 5.700 20.981 ( -4.610 -2.478 22.134) 22.745 21.324 ( -0.822 -0.484 1.135) 1.482 28.201 ( -1.936 -1.108 -0.313) 2.252 28.229 ( 0.122 -0.030 0.264) 0.293 36.456 ( -3.158 -1.704 2.475) 4.359 36.591 ( 6.210 6.970 1.236) 9.417 36.826 ( 9.945 2.502 -1.228) 10.328 40.665 ( 14.503 8.217 -78.785) 80.529 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 16.384 14.391 10.016) 23.996 1.515 ( 40.587 6.166 -4.778) 41.330 2.746 ( 44.509 37.113 4.352) 58.115 3.399 ( -0.288 0.754 -6.371) 6.422 3.828 ( -4.695 0.060 -0.223) 4.700 4.128 ( -1.695 -4.972 14.315) 15.249 5.649 ( 2.047 3.771 -10.511) 11.353 6.138 ( -1.368 -2.261 3.171) 4.128 6.175 ( 19.275 4.759 1.052) 19.882 6.732 ( -3.551 0.926 5.673) 6.757 6.917 ( -6.572 -1.730 -4.549) 8.178 7.459 ( 9.207 5.746 5.884) 12.345 10.500 ( -5.759 -9.232 3.534) 11.441 11.013 ( 8.541 -7.298 -5.268) 12.408 11.038 ( -9.559 5.643 7.363) 13.321 11.465 ( 9.395 9.038 -4.989) 13.959 12.327 ( -9.822 -4.923 -7.706) 13.420 12.391 ( -7.455 -3.416 -2.502) 8.573 18.252 ( -4.694 -5.530 1.276) 7.365 18.463 ( -1.155 5.735 -0.928) 5.924 18.765 ( 0.097 -1.500 0.713) 1.663 18.845 ( -0.600 -2.525 -2.904) 3.895 20.995 ( -1.313 -0.481 9.133) 9.239 21.304 ( -1.539 -0.937 1.746) 2.509 28.145 ( -2.608 -1.629 -0.202) 3.082 28.231 ( 0.224 0.120 -0.728) 0.771 36.411 ( -1.809 -0.937 2.227) 3.018 36.831 ( 8.409 13.948 1.513) 16.357 37.054 ( 15.446 -0.160 1.333) 15.504 40.569 ( 3.665 2.157 -41.053) 41.273 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 17.390 14.304 11.369) 25.225 2.196 ( 36.384 5.268 -5.243) 37.136 3.357 ( 7.224 2.987 -5.219) 9.400 3.531 ( -1.237 11.198 -1.612) 11.381 3.824 ( 5.177 10.320 -6.301) 13.153 4.355 ( 22.299 8.179 19.721) 30.872 5.536 ( -7.528 -4.531 -11.830) 14.736 6.179 ( 1.849 -0.934 4.778) 5.208 6.355 ( 3.329 -1.631 -6.054) 7.099 6.725 ( -2.999 2.465 10.303) 11.010 6.945 ( 9.815 4.671 -2.795) 11.223 7.687 ( 7.753 3.959 7.620) 11.569 10.345 ( -5.173 -6.286 1.835) 8.345 10.847 ( -18.938 -0.591 3.809) 19.327 11.081 ( 10.592 -7.129 -4.747) 13.622 11.674 ( 7.442 8.205 -4.224) 11.855 12.083 ( -6.508 -3.241 -4.598) 8.602 12.291 ( -3.567 -0.680 -0.305) 3.644 18.125 ( -4.593 -5.644 1.881) 7.516 18.466 ( -4.268 4.546 -1.773) 6.482 18.722 ( -2.296 -3.143 -1.246) 4.087 18.824 ( 1.917 -1.229 -0.453) 2.322 21.019 ( 0.173 0.369 4.588) 4.606 21.272 ( -2.035 -1.258 1.712) 2.942 28.091 ( -1.748 -1.487 0.131) 2.299 28.229 ( -0.143 0.287 -1.552) 1.584 36.397 ( -0.508 -0.141 1.506) 1.596 37.118 ( 5.910 17.763 -0.018) 18.720 37.349 ( 19.541 -3.769 5.779) 20.723 40.431 ( -0.761 0.245 -28.119) 28.130 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 16.327 11.692 12.015) 23.402 2.756 ( 27.626 1.248 -8.280) 28.868 3.365 ( -11.113 7.452 8.224) 15.706 3.577 ( 9.913 -0.520 -3.926) 10.675 3.980 ( 5.802 10.494 -8.482) 14.688 5.007 ( 25.566 14.552 8.347) 30.579 5.246 ( -12.833 -7.047 -8.229) 16.795 6.082 ( -7.144 -6.156 2.574) 9.775 6.448 ( 5.974 5.409 -3.923) 8.963 6.741 ( -2.582 -0.919 8.752) 9.171 7.156 ( 9.773 2.347 -2.613) 10.385 7.853 ( 4.422 1.173 6.780) 8.180 10.212 ( -7.573 -1.895 -0.405) 7.817 10.525 ( -12.307 -5.823 0.067) 13.615 11.177 ( 9.190 -4.460 -2.167) 10.442 11.806 ( 2.715 5.935 -5.549) 8.567 12.001 ( -2.229 -0.164 3.305) 3.990 12.255 ( -0.702 1.161 -0.631) 1.496 18.015 ( -3.524 -4.342 1.845) 5.888 18.395 ( -5.591 1.091 -1.839) 5.985 18.628 ( -3.176 -3.941 -2.366) 5.587 18.875 ( 3.098 1.629 0.623) 3.555 21.052 ( 1.034 0.799 2.378) 2.713 21.230 ( -2.241 -1.367 1.247) 2.906 28.064 ( -0.257 -1.094 0.687) 1.317 28.216 ( -0.764 0.453 -2.112) 2.291 36.402 ( 0.158 0.264 0.864) 0.918 37.353 ( 3.762 13.931 -0.805) 14.452 37.670 ( 17.524 -3.130 7.802) 19.436 40.281 ( -2.606 -0.120 -19.725) 19.897 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 12.425 7.255 9.731) 17.370 2.879 ( -3.112 -4.701 -7.909) 9.713 3.537 ( 8.567 18.762 13.054) 24.409 3.712 ( 11.655 -5.345 -6.894) 14.558 4.119 ( 4.852 1.024 -7.312) 8.835 4.928 ( -13.095 -3.080 -0.629) 13.467 5.519 ( 17.947 10.545 -0.770) 20.830 5.946 ( -4.126 -3.028 1.303) 5.282 6.469 ( -7.065 -1.353 -0.563) 7.215 6.746 ( 1.264 0.536 4.318) 4.531 7.264 ( 4.418 -1.455 -2.110) 5.108 7.932 ( 1.505 0.450 3.427) 3.770 10.043 ( -7.831 -1.322 -1.065) 8.013 10.397 ( -0.209 -2.502 0.449) 2.550 11.268 ( 5.905 -2.277 -0.890) 6.391 11.849 ( 1.271 2.800 -3.662) 4.782 11.989 ( -2.809 1.000 3.762) 4.800 12.268 ( 0.520 1.249 -0.359) 1.399 17.945 ( -1.827 -2.256 1.161) 3.127 18.307 ( -3.764 -0.392 -1.118) 3.947 18.536 ( -2.163 -2.673 -1.804) 3.883 18.942 ( 2.063 1.755 0.510) 2.756 21.091 ( 1.506 0.985 1.075) 2.096 21.184 ( -2.128 -1.272 0.597) 2.550 28.064 ( 0.645 -0.679 0.964) 1.344 28.194 ( -1.011 0.456 -1.855) 2.162 36.412 ( 0.246 0.261 0.385) 0.526 37.503 ( 2.041 7.201 -0.497) 7.501 37.921 ( 10.198 -1.526 5.556) 11.713 40.161 ( -2.219 0.007 -10.832) 11.058 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.966 ( -0.001 -0.000 -0.000) 0.001 3.967 ( 0.001 0.000 0.000) 0.001 4.810 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 -0.000 0.000) 0.000 7.955 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 11.307 ( 0.000 0.000 0.000) 0.000 11.873 ( 0.000 0.000 0.000) 0.000 11.969 ( 0.000 0.000 -0.000) 0.000 12.279 ( 0.000 0.000 0.000) 0.000 17.922 ( 0.000 0.000 0.000) 0.000 18.268 ( 0.000 0.000 0.000) 0.000 18.498 ( 0.000 0.000 0.000) 0.000 18.971 ( 0.000 0.000 0.000) 0.000 21.123 ( 0.000 0.000 0.000) 0.000 21.149 ( 0.000 0.000 0.000) 0.000 28.071 ( 0.000 0.000 -0.000) 0.000 28.181 ( 0.000 0.000 0.000) 0.000 36.416 ( 0.000 0.000 -0.000) 0.000 37.554 ( 0.000 0.000 0.000) 0.000 38.016 ( 0.000 0.000 0.000) 0.000 40.113 ( 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: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -13.575 17.448 27.880) 35.581 0.868 ( -17.483 39.290 8.346) 43.807 1.426 ( 17.714 65.801 11.546) 69.115 3.508 ( 8.051 -1.024 -0.635) 8.141 3.728 ( -3.616 4.463 -18.496) 19.368 4.422 ( -4.288 -26.980 34.333) 43.875 5.608 ( 6.067 8.156 1.117) 10.227 5.726 ( -5.896 19.336 0.329) 20.217 6.202 ( -3.159 -4.383 1.902) 5.728 6.760 ( 1.885 -6.673 -4.601) 8.322 7.071 ( 3.649 6.260 -12.464) 14.417 7.188 ( 0.046 -0.639 3.993) 4.044 10.626 ( -8.708 -7.936 -2.868) 12.126 10.900 ( -10.548 -4.048 -5.728) 12.667 11.111 ( 10.255 3.605 4.899) 11.924 11.244 ( 4.846 14.827 -6.044) 16.729 12.445 ( 0.129 -3.341 -0.193) 3.349 12.726 ( 1.634 -3.013 -2.458) 4.218 18.353 ( 3.304 -5.102 -1.307) 6.218 18.418 ( -1.348 1.103 -1.126) 2.073 18.739 ( -1.195 0.782 -0.451) 1.498 18.870 ( -1.006 1.537 -5.837) 6.119 21.123 ( 0.240 -16.995 31.884) 36.131 21.334 ( -0.016 -1.640 3.731) 4.076 28.197 ( 0.040 -2.422 -0.633) 2.504 28.234 ( -0.190 -0.066 0.631) 0.663 36.409 ( 2.562 -3.892 -3.577) 5.875 36.563 ( 1.158 7.604 -2.247) 8.013 36.864 ( -3.203 9.584 3.553) 10.711 40.197 ( -0.321 58.586 -114.720) 128.814 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 11.141 16.254 19.050) 27.408 1.162 ( 5.741 39.180 -5.256) 39.946 2.583 ( 33.806 52.590 14.826) 64.252 3.492 ( -9.884 2.443 -2.568) 10.501 3.735 ( 10.578 -3.503 -8.774) 14.183 4.200 ( -6.860 -13.152 17.869) 23.224 5.698 ( -4.423 10.177 -6.536) 12.879 5.966 ( 10.046 8.142 0.898) 12.962 6.148 ( 1.170 1.368 0.194) 1.810 6.708 ( 2.208 -6.939 -0.709) 7.316 7.030 ( -4.379 -0.508 -1.027) 4.527 7.361 ( 10.669 5.211 2.462) 12.126 10.448 ( -1.016 -9.352 -5.208) 10.752 10.744 ( 0.154 -6.327 -4.035) 7.506 11.346 ( 8.255 8.130 2.546) 11.863 11.376 ( -1.330 10.100 0.473) 10.198 12.382 ( -3.617 -4.275 -1.117) 5.710 12.524 ( -15.556 -5.795 -0.465) 16.607 18.339 ( -6.951 0.194 0.105) 6.954 18.418 ( 8.373 -3.909 -0.207) 9.243 18.735 ( 0.190 -0.513 -1.596) 1.688 18.818 ( -2.003 -1.956 -3.978) 4.864 21.080 ( -3.492 -5.787 15.142) 16.582 21.325 ( -1.049 -1.919 3.508) 4.134 28.156 ( -1.259 -2.747 -0.794) 3.124 28.231 ( -0.275 0.308 -0.299) 0.510 36.537 ( 2.084 2.444 1.826) 3.695 36.597 ( 9.089 1.927 -0.020) 9.291 37.004 ( 4.924 12.946 -1.178) 13.900 40.283 ( 8.319 22.842 -62.435) 67.001 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 10.964 22.422 12.460) 27.896 1.703 ( 23.947 21.725 -5.107) 32.734 3.308 ( -1.966 4.856 -6.292) 8.187 3.587 ( 16.171 27.200 0.451) 31.647 3.826 ( 3.730 3.488 -0.027) 5.107 4.227 ( 11.417 1.710 19.761) 22.886 5.577 ( -8.694 -0.564 -13.819) 16.336 6.079 ( 5.412 -8.985 4.911) 11.581 6.288 ( 3.570 11.064 -5.551) 12.882 6.737 ( 6.383 -1.540 0.992) 6.640 6.992 ( -3.789 7.610 3.569) 9.220 7.595 ( 10.186 1.326 6.370) 12.087 10.329 ( -0.856 -8.613 -1.089) 8.723 10.720 ( 7.051 -6.992 -8.350) 12.974 11.342 ( -16.744 8.529 7.591) 20.266 11.589 ( 9.502 8.179 -1.781) 12.664 12.124 ( -11.035 -8.688 -3.456) 14.464 12.340 ( -3.734 -2.511 1.080) 4.627 18.216 ( -7.798 -0.179 1.717) 7.987 18.517 ( 3.751 -0.115 0.666) 3.811 18.706 ( 0.293 -3.950 -1.556) 4.256 18.737 ( -0.723 -3.986 -4.907) 6.364 21.059 ( -1.617 -1.479 7.372) 7.691 21.298 ( -1.676 -2.145 2.800) 3.905 28.103 ( -1.554 -2.092 -0.512) 2.656 28.227 ( -0.162 0.454 -1.164) 1.260 36.517 ( -7.008 8.548 1.951) 11.225 36.923 ( 23.826 -3.546 4.003) 24.419 37.220 ( 5.362 13.982 -1.986) 15.106 40.274 ( 2.870 8.736 -38.275) 39.364 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 9.608 22.344 12.794) 27.482 2.265 ( 26.500 10.498 -8.165) 29.650 3.319 ( 5.852 -0.564 -5.420) 7.996 3.730 ( -7.346 5.840 6.119) 11.203 3.973 ( 4.013 11.519 -7.242) 14.186 4.806 ( 23.771 18.152 14.531) 33.252 5.324 ( -9.370 -4.162 -11.868) 15.683 6.016 ( 1.027 -15.423 0.125) 15.458 6.442 ( 3.539 13.252 -1.936) 13.853 6.824 ( 1.035 -0.345 6.068) 6.165 7.080 ( 2.250 9.066 -1.620) 9.480 7.777 ( 7.759 -2.636 7.569) 11.155 10.252 ( -0.744 -3.877 0.162) 3.951 10.674 ( -4.255 -5.750 -9.775) 12.113 11.109 ( -12.523 0.609 6.448) 14.099 11.769 ( 4.236 5.765 -4.430) 8.414 11.995 ( 2.511 -4.261 3.615) 6.126 12.282 ( -2.085 -0.488 0.532) 2.206 18.102 ( -7.045 0.588 2.645) 7.549 18.483 ( -5.545 -1.353 -0.987) 5.793 18.622 ( -3.094 -4.263 -2.977) 6.050 18.765 ( 8.644 -3.353 -2.256) 9.542 21.065 ( -0.192 0.076 3.768) 3.773 21.257 ( -2.027 -2.135 1.942) 3.527 28.066 ( -0.777 -0.978 0.143) 1.257 28.220 ( -0.438 0.503 -1.843) 1.960 36.503 ( -5.763 8.590 1.800) 10.500 37.318 ( 23.346 -3.242 3.934) 23.896 37.419 ( 3.855 11.934 -0.168) 12.543 40.195 ( 0.216 3.218 -25.320) 25.524 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 5.928 19.856 12.514) 24.207 2.655 ( 17.314 1.315 -13.463) 21.971 3.392 ( 6.976 -3.993 -4.449) 9.187 3.736 ( -1.033 9.188 5.169) 10.592 4.111 ( 2.349 9.579 -1.573) 9.988 5.091 ( -9.151 -1.803 -3.474) 9.953 5.351 ( 16.152 14.010 3.002) 21.592 5.882 ( 1.113 -13.591 -0.550) 13.647 6.597 ( -1.335 11.907 -2.070) 12.159 6.811 ( -4.927 -1.032 7.444) 8.986 7.180 ( 4.167 3.611 -4.102) 6.872 7.879 ( 4.798 -4.676 5.857) 8.899 10.198 ( -6.769 1.311 -1.166) 6.993 10.425 ( -8.571 -2.159 -2.093) 9.083 11.096 ( 7.262 -4.583 0.841) 8.629 11.815 ( 1.691 0.415 -3.432) 3.849 12.055 ( 0.654 0.885 5.247) 5.361 12.262 ( -0.177 -0.480 0.386) 0.641 18.022 ( -5.625 2.145 2.945) 6.702 18.358 ( -4.991 -2.894 -1.814) 6.048 18.523 ( -1.890 -3.465 -2.990) 4.952 18.866 ( 6.756 -2.268 -1.114) 7.213 21.088 ( 0.687 0.645 1.850) 2.076 21.210 ( -2.134 -1.871 1.105) 3.046 28.060 ( 0.214 0.117 0.898) 0.931 28.203 ( -0.862 0.338 -2.086) 2.283 36.503 ( -5.115 8.407 1.589) 9.968 37.535 ( 2.433 5.803 -2.302) 6.700 37.688 ( 17.415 -1.174 5.097) 18.184 40.111 ( 0.105 0.584 -15.045) 15.056 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -1.965 16.003 7.220) 17.666 2.717 ( 1.385 -1.497 -13.886) 14.035 3.434 ( 9.418 -11.512 -6.679) 16.305 3.905 ( 7.217 5.082 -1.343) 8.928 4.217 ( -2.177 12.896 8.588) 15.647 4.921 ( -11.152 -0.259 3.682) 11.747 5.687 ( 10.657 7.793 -2.071) 13.364 5.804 ( 3.711 -9.824 -1.661) 10.632 6.506 ( -14.295 3.519 2.455) 14.925 6.802 ( -0.634 2.378 0.400) 2.493 7.270 ( 3.875 4.384 -2.042) 6.197 7.911 ( 2.464 -5.846 3.228) 7.118 10.056 ( -8.333 3.831 -0.987) 9.225 10.391 ( 1.126 1.241 0.578) 1.772 11.194 ( 8.868 -4.980 -0.533) 10.185 11.828 ( 2.244 -1.652 -1.901) 3.373 12.044 ( -5.082 0.495 3.550) 6.219 12.261 ( 0.835 -2.133 0.711) 2.398 17.985 ( -3.938 4.062 2.611) 6.231 18.266 ( -1.563 -2.279 -1.490) 3.140 18.477 ( 0.867 -1.430 -1.578) 2.299 18.922 ( 3.571 -3.276 -1.265) 5.008 21.116 ( 1.039 0.682 0.634) 1.395 21.163 ( -1.857 -1.366 0.411) 2.342 28.078 ( 0.289 1.138 0.993) 1.538 28.181 ( -0.602 -0.235 -1.328) 1.477 36.506 ( -5.107 8.162 1.431) 9.734 37.564 ( -1.256 -0.059 -0.860) 1.523 37.926 ( 9.840 -0.548 -0.430) 9.865 40.078 ( 2.150 -0.712 -4.466) 5.007 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -18.770 6.392 -7.822) 21.315 2.777 ( 10.393 3.517 -5.377) 12.219 3.357 ( 0.111 -15.165 -7.555) 16.943 3.934 ( -3.983 -1.334 3.398) 5.403 4.411 ( -10.270 15.911 12.886) 22.906 4.766 ( 3.039 -2.679 -0.664) 4.105 5.710 ( -10.888 -7.206 1.251) 13.117 5.808 ( 6.746 -4.612 -2.445) 8.530 6.452 ( 1.104 9.227 2.323) 9.578 6.777 ( -3.513 1.007 -2.668) 4.525 7.356 ( -0.450 6.614 -0.520) 6.650 7.885 ( 1.310 -7.106 0.189) 7.228 10.024 ( -1.012 5.991 -0.278) 6.082 10.424 ( 0.004 2.997 -0.168) 3.002 11.276 ( 5.559 -3.214 0.089) 6.421 11.825 ( 0.890 -4.826 0.147) 4.910 11.970 ( -3.493 -0.379 0.981) 3.648 12.250 ( 0.458 -3.199 1.074) 3.406 17.994 ( -2.145 6.099 1.756) 6.700 18.253 ( 2.328 -1.222 -0.205) 2.637 18.508 ( 3.537 0.702 0.066) 3.606 18.911 ( 0.907 -4.805 -1.955) 5.266 21.107 ( -1.848 -1.024 -0.391) 2.149 21.160 ( 1.592 0.724 -0.031) 1.750 28.087 ( -1.140 1.503 -0.481) 1.947 28.178 ( 1.067 -0.518 0.993) 1.547 36.503 ( -5.422 8.067 1.303) 9.807 37.483 ( -3.884 -7.382 0.276) 8.346 37.991 ( -0.334 0.906 -6.529) 6.600 40.135 ( 5.169 -0.749 5.570) 7.636 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -24.044 3.507 -11.032) 26.686 2.971 ( 13.319 -8.964 -15.357) 22.216 3.114 ( -10.712 -0.103 5.085) 11.858 3.861 ( -8.483 1.742 8.775) 12.329 4.129 ( -22.217 -6.935 6.958) 24.292 5.080 ( 16.640 9.844 2.790) 19.534 5.313 ( -23.427 -10.502 1.322) 25.707 5.894 ( 11.036 -4.432 -4.518) 12.722 6.552 ( -4.213 3.587 3.819) 6.723 6.723 ( -1.092 3.573 -5.165) 6.374 7.332 ( -8.742 3.355 -0.043) 9.363 7.827 ( 0.164 -6.566 -3.442) 7.416 10.119 ( 5.025 5.924 -0.561) 7.788 10.472 ( 2.314 5.962 -1.806) 6.645 11.322 ( 0.277 1.940 2.652) 3.298 11.770 ( 0.161 -9.672 4.272) 10.575 11.943 ( 0.757 -0.684 -2.249) 2.470 12.232 ( 0.541 -2.661 1.372) 3.042 18.052 ( -0.175 8.438 0.962) 8.495 18.300 ( 4.358 -2.448 1.291) 5.162 18.598 ( 4.904 1.864 0.897) 5.322 18.854 ( -0.043 -4.855 -2.783) 5.596 21.061 ( -1.933 -0.861 -1.055) 2.365 21.199 ( 2.108 0.809 -0.588) 2.334 28.075 ( -0.849 0.866 -0.805) 1.455 28.206 ( 1.248 0.078 1.803) 2.194 36.495 ( -5.694 8.370 1.115) 10.185 37.299 ( -5.684 -14.162 1.202) 15.307 37.878 ( -9.368 1.849 -9.681) 13.598 40.283 ( 6.997 0.358 12.324) 14.176 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -26.375 4.181 -10.781) 28.798 2.632 ( -20.309 -11.587 -7.945) 24.695 3.290 ( 10.218 4.615 3.007) 11.608 3.667 ( -18.765 -1.587 7.320) 20.204 3.870 ( -4.612 -7.594 10.805) 13.989 4.662 ( -33.511 -10.712 -9.052) 36.327 5.491 ( 12.302 9.319 7.670) 17.234 6.033 ( 12.658 -4.640 -8.198) 15.779 6.458 ( -7.387 0.244 5.096) 8.978 6.709 ( -3.326 3.135 -5.693) 7.301 7.147 ( -14.030 0.323 0.601) 14.047 7.702 ( -4.410 -7.891 -4.689) 10.183 10.272 ( 7.226 4.826 -2.750) 9.114 10.609 ( 7.907 6.434 -5.990) 11.824 11.363 ( -5.479 10.070 6.768) 13.312 11.679 ( -1.010 -13.501 5.876) 14.759 11.974 ( 6.646 -1.552 -0.522) 6.845 12.245 ( 2.351 -0.641 1.614) 2.923 18.157 ( 1.036 10.533 0.511) 10.597 18.343 ( 4.544 -6.643 2.410) 8.402 18.698 ( 4.112 1.465 0.398) 4.383 18.810 ( 1.195 -2.200 -3.059) 3.953 21.016 ( -1.772 -0.598 -1.750) 2.562 21.239 ( 2.181 0.662 -0.867) 2.438 28.077 ( 0.834 0.533 -0.338) 1.046 28.231 ( 0.443 0.357 1.278) 1.399 36.489 ( -5.622 9.325 0.777) 10.916 37.042 ( -6.476 -18.487 1.941) 19.684 37.638 ( -15.106 2.020 -9.074) 17.737 40.482 ( 6.887 1.560 15.128) 16.695 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -26.602 9.415 -9.313) 29.716 2.049 ( -31.312 -10.871 -7.806) 34.052 3.272 ( -32.021 -8.641 17.621) 37.557 3.485 ( -3.825 -3.590 6.141) 8.076 3.735 ( -4.846 1.018 -1.169) 5.088 4.115 ( -7.605 -1.014 -13.203) 15.270 5.735 ( 1.521 5.631 9.611) 11.242 6.054 ( 2.782 -6.603 -9.009) 11.511 6.417 ( -6.114 -0.101 -0.392) 6.127 6.636 ( -1.581 3.490 -4.643) 6.020 6.956 ( -6.785 0.715 4.126) 7.974 7.506 ( -6.853 -7.724 -1.923) 10.503 10.419 ( 7.924 3.283 -5.824) 10.367 10.751 ( 7.226 3.772 -9.769) 12.723 11.360 ( -10.222 7.879 7.184) 14.771 11.529 ( -5.605 -10.451 4.935) 12.845 12.179 ( 15.922 0.839 5.076) 16.733 12.315 ( 4.851 0.719 1.355) 5.088 18.281 ( 1.321 8.916 0.745) 9.044 18.349 ( 3.796 -7.401 2.185) 8.600 18.755 ( 1.750 0.041 -0.765) 1.911 18.826 ( 3.039 0.190 -2.251) 3.787 20.973 ( -1.564 -0.313 -2.186) 2.706 21.275 ( 1.953 0.379 -0.716) 2.115 28.110 ( 2.539 0.350 0.006) 2.563 28.240 ( -0.281 0.315 0.429) 0.602 36.500 ( -5.019 10.976 0.375) 12.075 36.763 ( -5.919 -18.421 2.708) 19.537 37.341 ( -17.011 1.312 -6.390) 18.219 40.680 ( 5.797 1.737 13.750) 15.022 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -25.052 13.729 -7.108) 29.438 1.306 ( -37.207 -9.819 -13.346) 40.729 2.378 ( -65.322 0.785 12.771) 66.563 3.463 ( 1.370 -2.166 5.054) 5.667 3.827 ( 8.047 1.076 2.329) 8.446 4.077 ( 2.966 1.207 -7.648) 8.291 5.712 ( -9.495 0.628 4.649) 10.590 5.993 ( -8.902 -1.337 -5.306) 10.449 6.179 ( -7.166 0.238 -3.708) 8.072 6.708 ( 4.708 1.679 0.739) 5.053 7.016 ( 7.731 0.120 3.191) 8.365 7.324 ( -8.874 -1.980 2.266) 9.371 10.537 ( 8.617 -1.161 -6.680) 10.964 10.851 ( 4.831 7.706 -9.768) 13.347 11.234 ( -8.601 -8.978 8.976) 15.335 11.382 ( -8.929 2.929 2.800) 9.805 12.387 ( 5.101 0.013 0.395) 5.116 12.516 ( 15.578 -0.072 1.601) 15.660 18.324 ( 4.126 -6.870 1.624) 8.177 18.411 ( 0.133 7.477 1.240) 7.581 18.756 ( -0.256 -0.559 -1.220) 1.366 18.873 ( 3.098 0.014 -1.930) 3.650 20.939 ( -1.374 -0.002 0.324) 1.411 21.304 ( 1.484 0.001 -0.039) 1.484 28.162 ( 3.115 -0.111 0.068) 3.118 28.235 ( -0.520 0.121 -0.232) 0.582 36.510 ( -2.759 -5.118 1.718) 6.063 36.574 ( -4.606 5.507 2.666) 7.658 37.044 ( -15.381 -0.562 -3.890) 15.875 40.823 ( 4.623 0.130 -0.254) 4.632 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 1.791 25.055 23.551) 34.433 1.531 ( -13.545 34.024 15.846) 39.902 2.238 ( -34.213 45.052 -3.804) 56.698 3.357 ( 2.615 0.125 -8.883) 9.260 3.772 ( -2.994 -2.033 -2.422) 4.355 4.296 ( 6.015 -10.982 16.644) 20.828 5.614 ( 1.870 10.061 -7.127) 12.471 6.075 ( -6.761 9.674 4.297) 12.560 6.248 ( -4.431 4.749 5.341) 8.409 6.693 ( -2.895 -4.326 -0.824) 5.270 6.938 ( 6.035 -3.163 -6.763) 9.600 7.303 ( -10.435 1.625 -0.436) 10.569 10.640 ( 1.582 -8.880 6.647) 11.205 11.003 ( 5.325 -1.193 8.075) 9.746 11.096 ( -16.388 -1.720 -8.057) 18.342 11.290 ( 3.006 16.465 -7.982) 18.543 12.371 ( 4.136 -4.946 -1.868) 6.712 12.488 ( 15.152 -5.844 -1.539) 16.313 18.298 ( -4.225 -7.474 -1.682) 8.749 18.387 ( 5.368 2.041 -1.716) 5.993 18.770 ( -1.105 -0.307 0.462) 1.237 18.862 ( 0.347 -0.301 -2.543) 2.584 21.073 ( 3.609 -5.943 14.904) 16.446 21.327 ( 1.007 -1.845 3.600) 4.169 28.154 ( 1.173 -2.883 -0.826) 3.220 28.236 ( 0.333 0.533 -0.034) 0.629 36.481 ( -15.004 -5.026 -2.727) 16.057 36.535 ( 7.180 7.899 -1.910) 10.844 37.110 ( -8.499 14.157 4.693) 17.166 40.289 ( -8.056 22.910 -62.196) 66.769 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -12.787 16.494 27.009) 34.133 1.665 ( -13.791 35.283 4.693) 38.172 2.728 ( 19.929 55.857 6.372) 59.648 3.452 ( 11.515 1.135 -8.451) 14.328 3.656 ( -8.190 -0.705 -2.672) 8.644 4.232 ( -3.761 -14.011 12.767) 19.325 5.770 ( 3.556 7.452 -5.126) 9.719 6.113 ( -13.732 2.170 1.440) 13.977 6.159 ( 2.412 11.885 2.495) 12.381 6.594 ( -0.112 -5.656 -1.935) 5.979 6.999 ( 4.937 -0.243 -1.423) 5.144 7.278 ( 4.063 5.633 -2.222) 7.292 10.470 ( -11.122 -5.659 -1.466) 12.565 10.763 ( -8.708 -5.352 -2.628) 10.554 11.210 ( 11.240 4.004 1.133) 11.986 11.483 ( 2.560 11.791 0.009) 12.066 12.350 ( 0.843 -5.438 -1.427) 5.685 12.615 ( 1.589 -8.384 3.248) 9.130 18.212 ( 5.093 -7.357 -1.542) 9.080 18.432 ( -1.876 2.029 -2.236) 3.555 18.748 ( -1.383 0.421 -0.256) 1.468 18.819 ( -2.158 -2.665 -2.480) 4.232 21.110 ( 0.338 -6.630 11.949) 13.669 21.332 ( -0.092 -3.006 4.621) 5.514 28.128 ( 0.161 -3.390 -1.046) 3.551 28.241 ( -0.405 0.587 -0.167) 0.732 36.327 ( 3.531 -1.010 -2.836) 4.640 36.736 ( 3.287 12.772 -3.671) 13.689 37.101 ( -5.985 10.791 3.299) 12.773 40.195 ( -0.424 26.917 -53.058) 59.497 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 3.567 15.566 22.636) 27.702 1.890 ( -2.582 35.178 -1.604) 35.309 3.376 ( -3.980 -6.463 -11.814) 14.042 3.563 ( 13.121 24.932 0.437) 28.177 3.768 ( 12.843 18.502 2.348) 22.645 4.199 ( 4.478 1.972 17.333) 18.011 5.669 ( -10.137 -2.262 -14.121) 17.529 5.969 ( -2.427 -8.409 3.547) 9.444 6.373 ( 3.046 16.774 -1.386) 17.104 6.608 ( 6.124 -0.793 2.371) 6.615 7.081 ( 1.941 4.874 2.970) 6.029 7.448 ( 10.207 2.416 -0.778) 10.518 10.262 ( -4.435 -4.990 -4.041) 7.803 10.631 ( -2.612 -4.166 1.382) 5.107 11.447 ( 10.277 5.932 -2.632) 12.154 11.609 ( 0.502 8.045 4.129) 9.056 12.256 ( -8.274 -7.004 -2.035) 11.030 12.411 ( -11.327 -7.561 3.860) 14.156 18.300 ( 12.631 -6.024 -1.441) 14.068 18.364 ( -6.488 1.750 -0.048) 6.720 18.702 ( -3.719 -3.209 -1.776) 5.223 18.730 ( -2.751 -2.053 -2.441) 4.212 21.098 ( -1.120 -3.340 7.394) 8.190 21.312 ( -1.080 -3.246 3.745) 5.072 28.091 ( -0.279 -2.589 -1.073) 2.816 28.235 ( -0.663 0.596 -0.604) 1.077 36.508 ( 17.880 -1.504 0.016) 17.943 36.802 ( -7.850 14.475 -0.998) 16.497 37.226 ( 6.243 10.212 -0.215) 11.971 40.185 ( -0.287 16.632 -37.759) 41.260 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 14.203 13.578 13.153) 23.645 2.202 ( 4.685 24.448 1.642) 24.947 3.232 ( -0.194 -0.955 -9.126) 9.178 3.847 ( 5.719 8.169 3.085) 10.438 3.972 ( 1.795 6.804 -4.889) 8.569 4.713 ( 18.843 23.756 13.126) 33.041 5.388 ( -9.319 -3.121 -12.371) 15.800 5.841 ( -0.254 -14.658 -0.117) 14.661 6.557 ( 0.910 16.410 0.568) 16.445 6.755 ( 7.215 1.354 2.862) 7.879 7.174 ( -0.566 7.766 0.905) 7.839 7.623 ( 9.954 -3.231 2.990) 10.884 10.185 ( 1.851 -4.049 -1.889) 4.836 10.585 ( 0.343 -2.610 -0.965) 2.804 11.483 ( -15.694 2.293 0.903) 15.887 11.761 ( 4.686 8.647 1.274) 9.917 11.930 ( -6.541 -9.978 1.922) 12.084 12.304 ( -1.388 -2.468 0.953) 2.988 18.261 ( -7.753 3.250 0.579) 8.427 18.473 ( 11.328 -5.415 2.054) 12.722 18.568 ( -2.100 -6.666 -4.880) 8.524 18.644 ( -4.596 -1.350 -2.688) 5.493 21.090 ( -0.690 -1.023 4.241) 4.417 21.274 ( -1.568 -3.031 2.515) 4.239 28.064 ( -0.173 -1.083 -0.648) 1.274 28.226 ( -0.613 0.489 -1.116) 1.364 36.725 ( -2.764 7.924 1.860) 8.596 36.924 ( 17.601 4.647 -0.482) 18.210 37.433 ( 6.441 8.344 0.043) 10.541 40.129 ( -1.661 8.522 -26.181) 27.583 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 16.934 8.988 6.368) 20.201 2.510 ( 5.009 17.159 1.909) 17.977 3.236 ( 4.729 -0.949 -5.205) 7.096 3.898 ( -7.047 8.497 -1.629) 11.158 4.134 ( 7.352 9.004 1.120) 11.678 5.088 ( 5.329 0.641 -7.349) 9.100 5.343 ( 4.341 14.887 4.517) 16.151 5.699 ( 1.303 -14.349 -1.737) 14.513 6.731 ( 0.708 15.479 -0.663) 15.509 6.871 ( 2.015 0.599 5.574) 5.958 7.192 ( -3.064 4.048 -2.759) 5.778 7.745 ( 7.784 -6.302 4.534) 10.994 10.210 ( 3.561 -0.313 -0.034) 3.575 10.542 ( -4.042 -0.916 -3.480) 5.412 11.123 ( -17.311 -4.084 3.281) 18.086 11.793 ( -0.482 -0.016 -0.791) 0.927 12.007 ( 7.633 0.600 3.720) 8.513 12.276 ( -0.961 -1.010 1.093) 1.772 18.179 ( -7.004 4.182 2.165) 8.440 18.390 ( -4.819 -6.104 -2.337) 8.121 18.529 ( -4.175 -2.383 -2.410) 5.378 18.664 ( 11.729 -4.409 -1.623) 12.635 21.097 ( 0.015 0.098 2.291) 2.293 21.228 ( -1.768 -2.526 1.456) 3.410 28.061 ( 0.433 0.346 0.148) 0.573 28.211 ( -0.838 0.292 -1.514) 1.755 36.730 ( -7.373 11.804 1.643) 14.014 37.303 ( 21.627 1.767 -2.577) 21.852 37.584 ( 3.755 3.460 3.122) 5.985 40.051 ( -1.153 3.193 -16.845) 17.183 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 9.756 1.506 -13.135) 16.431 2.724 ( 1.093 15.982 11.905) 19.958 3.269 ( 1.200 -2.150 -2.963) 3.853 3.858 ( -0.893 4.803 -5.899) 7.659 4.337 ( 3.829 9.627 6.197) 12.073 5.103 ( -2.872 1.081 3.590) 4.723 5.598 ( 8.548 10.775 -2.879) 14.052 5.607 ( 3.867 -10.209 -3.247) 11.390 6.813 ( -13.918 4.637 2.832) 14.941 6.845 ( -0.301 5.199 -1.123) 5.327 7.217 ( 5.109 2.876 -0.598) 5.893 7.803 ( 4.533 -7.419 3.615) 9.416 10.246 ( -4.811 4.745 -0.555) 6.780 10.419 ( -4.808 2.574 -0.200) 5.458 10.990 ( 4.681 -7.474 1.056) 8.882 11.782 ( 0.227 -1.717 -0.119) 1.736 12.103 ( 1.509 -0.316 1.844) 2.404 12.248 ( -1.807 -2.004 2.036) 3.380 18.131 ( -5.450 4.750 3.435) 8.004 18.262 ( -2.624 -3.814 -2.827) 5.424 18.450 ( -1.216 -1.303 -2.186) 2.820 18.778 ( 7.690 -4.998 -1.416) 9.280 21.113 ( 0.545 0.489 1.052) 1.282 21.181 ( -1.814 -1.873 0.688) 2.697 28.086 ( 1.034 1.415 0.905) 1.973 28.187 ( -1.226 -0.157 -1.545) 1.979 36.732 ( -7.492 12.453 1.795) 14.643 37.552 ( 4.427 0.831 -5.440) 7.063 37.714 ( 11.712 -1.091 3.884) 12.388 40.004 ( 1.615 -0.126 -7.830) 7.995 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 1.042 -1.444 -18.593) 18.678 2.888 ( -11.155 17.791 5.420) 21.687 3.205 ( 0.910 -7.264 -0.565) 7.342 3.913 ( 4.737 0.302 -1.813) 5.081 4.548 ( 8.328 9.744 6.050) 14.174 4.954 ( -17.454 -2.753 5.058) 18.379 5.590 ( 4.632 -5.152 -4.603) 8.318 5.792 ( 3.593 2.239 0.641) 4.282 6.628 ( -9.878 5.784 3.863) 12.082 6.844 ( -3.581 3.443 -3.523) 6.090 7.367 ( 6.344 5.367 0.224) 8.312 7.782 ( 1.036 -9.245 1.538) 9.430 10.175 ( -7.692 9.175 -0.780) 11.998 10.450 ( 0.992 4.048 0.438) 4.190 11.057 ( 11.063 -8.807 -0.245) 14.143 11.763 ( 0.491 -3.339 -0.529) 3.416 12.068 ( -5.366 -0.588 1.570) 5.621 12.211 ( 0.152 -4.164 2.224) 4.723 18.118 ( -3.277 3.956 3.663) 6.309 18.214 ( 0.361 0.373 -1.514) 1.601 18.447 ( 2.708 -0.107 -1.419) 3.060 18.809 ( 3.532 -5.802 -2.266) 7.161 21.124 ( -0.919 -0.412 0.016) 1.007 21.148 ( 0.080 -0.291 0.397) 0.499 28.120 ( -0.440 1.958 0.319) 2.032 28.161 ( 0.286 -0.682 -0.221) 0.772 36.736 ( -7.868 12.924 2.088) 15.274 37.488 ( -4.582 -7.360 0.433) 8.680 37.897 ( 8.084 1.069 -5.807) 10.011 40.041 ( 5.972 -1.236 0.656) 6.133 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -10.814 1.556 -14.643) 18.269 2.783 ( -9.680 7.137 -9.095) 15.078 3.201 ( 1.190 -1.734 6.110) 6.462 3.953 ( -0.558 -1.253 5.287) 5.462 4.533 ( -24.855 -8.834 1.535) 26.422 4.906 ( 16.683 12.172 3.899) 21.016 5.559 ( -7.510 -4.365 -2.346) 8.998 5.708 ( -3.594 -6.736 2.899) 8.167 6.681 ( -0.797 10.875 2.908) 11.285 6.777 ( -4.207 1.717 -2.908) 5.394 7.477 ( -2.074 5.514 -0.829) 5.949 7.696 ( 2.272 -11.271 -1.290) 11.570 10.177 ( -2.938 9.991 -1.542) 10.527 10.504 ( 0.454 6.061 -1.592) 6.283 11.168 ( 12.530 -9.281 0.887) 15.618 11.721 ( -1.088 -4.619 0.801) 4.813 11.975 ( -5.097 -0.016 1.067) 5.208 12.195 ( 1.329 -3.781 2.245) 4.594 18.143 ( 0.490 2.888 3.289) 4.404 18.244 ( 0.614 2.757 0.484) 2.866 18.515 ( 5.478 0.224 -0.804) 5.541 18.777 ( 1.289 -4.994 -3.548) 6.260 21.085 ( -2.116 -0.679 -0.332) 2.247 21.171 ( 1.643 0.403 -0.069) 1.693 28.098 ( -1.764 -0.089 -0.712) 1.904 28.194 ( 1.732 1.035 1.221) 2.358 36.738 ( -8.343 13.362 2.336) 15.925 37.287 ( -7.732 -13.302 2.497) 15.587 37.927 ( -0.979 0.991 -9.939) 10.036 40.185 ( 9.602 -0.273 5.848) 11.246 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -23.805 7.304 -9.694) 26.720 2.640 ( -5.753 -3.874 -10.845) 12.873 3.280 ( 3.301 5.493 4.589) 7.882 3.919 ( -7.122 -8.934 9.035) 14.566 4.043 ( -20.052 -1.734 2.826) 20.324 5.137 ( -31.827 -3.912 1.265) 32.091 5.354 ( 19.543 9.839 2.690) 22.045 5.724 ( 9.538 -6.531 -5.374) 12.748 6.642 ( -9.198 1.361 4.040) 10.138 6.776 ( -2.878 4.706 -2.873) 6.220 7.377 ( -10.758 2.407 -1.324) 11.103 7.633 ( 0.727 -9.348 -2.100) 9.609 10.236 ( 1.127 6.954 -3.433) 7.836 10.589 ( 2.531 9.839 -4.694) 11.192 11.318 ( 15.511 -12.234 4.473) 20.255 11.648 ( -5.138 -0.907 4.581) 6.943 11.916 ( -1.733 0.092 -1.966) 2.623 12.209 ( 2.180 -1.615 2.497) 3.688 18.207 ( 4.046 -4.503 3.561) 7.023 18.283 ( -1.088 7.503 1.589) 7.746 18.611 ( 6.084 -0.420 -1.151) 6.206 18.746 ( 1.606 -1.277 -4.325) 4.787 21.042 ( -2.255 -0.318 -0.371) 2.308 21.205 ( 2.019 0.266 -0.271) 2.054 28.072 ( -0.417 -0.595 -0.245) 0.767 28.233 ( 0.883 1.100 0.652) 1.554 36.738 ( -8.227 12.796 2.077) 15.354 37.016 ( -9.139 -14.981 4.067) 18.014 37.799 ( -8.425 -0.021 -9.708) 12.854 40.394 ( 10.586 0.969 5.870) 12.143 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -25.946 9.539 -6.036) 28.295 2.334 ( -20.363 -4.987 -9.964) 23.212 3.424 ( 4.778 2.308 -2.278) 5.775 3.603 ( -11.699 -7.234 13.113) 19.004 3.986 ( -3.463 4.329 8.146) 9.854 4.469 ( -42.539 -1.052 -3.141) 42.667 5.746 ( 12.083 9.593 4.587) 16.095 5.795 ( 10.805 -7.892 -11.031) 17.341 6.506 ( -8.585 -0.339 2.224) 8.874 6.720 ( -3.768 0.926 -0.697) 3.942 7.181 ( -14.654 1.420 -1.222) 14.773 7.527 ( -3.009 -5.184 2.814) 6.622 10.304 ( 4.020 2.398 -5.596) 7.296 10.719 ( 3.162 12.362 -7.521) 14.812 11.373 ( 6.148 -24.236 6.868) 25.929 11.642 ( -5.783 9.962 5.794) 12.894 11.948 ( 9.376 1.782 -3.616) 10.206 12.259 ( 3.191 -0.304 2.200) 3.888 18.197 ( 3.006 -9.933 2.733) 10.732 18.393 ( 1.102 10.058 2.827) 10.506 18.688 ( 4.685 -1.213 -1.861) 5.185 18.763 ( 2.448 1.246 -4.065) 4.906 21.002 ( -2.197 0.010 0.247) 2.211 21.240 ( 2.118 0.005 -0.088) 2.120 28.074 ( 1.451 -0.656 0.095) 1.596 28.249 ( -0.084 0.668 -0.218) 0.708 36.674 ( -6.285 -8.912 1.222) 10.973 36.816 ( -9.701 9.333 5.972) 14.727 37.565 ( -13.306 -1.235 -7.099) 15.131 40.590 ( 9.179 0.629 0.277) 9.205 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -26.732 0.148 -2.111) 26.816 1.827 ( -31.223 10.019 -11.183) 34.646 3.354 ( -12.837 -1.968 2.599) 13.244 3.520 ( -22.508 5.136 8.308) 24.536 3.821 ( -14.980 3.967 1.022) 15.530 4.040 ( 0.636 1.297 2.654) 3.022 5.776 ( 2.169 -7.216 -12.300) 14.425 5.983 ( 3.385 9.122 6.727) 11.829 6.372 ( -8.552 -0.319 -4.916) 9.870 6.704 ( -0.275 1.325 3.455) 3.710 6.960 ( -6.361 -3.779 0.522) 7.417 7.484 ( -5.227 4.054 8.029) 10.403 10.368 ( 6.298 -0.653 -4.293) 7.650 10.856 ( 3.015 14.306 -9.455) 17.411 11.212 ( -1.139 -22.521 9.677) 24.539 11.599 ( -9.387 6.282 0.784) 11.322 12.189 ( 15.766 -0.168 -5.269) 16.624 12.325 ( 4.475 -1.153 0.970) 4.722 18.184 ( 4.719 -7.366 2.355) 9.060 18.496 ( -0.481 5.211 2.074) 5.629 18.727 ( 2.526 -0.400 -1.435) 2.933 18.804 ( 3.112 1.013 -3.414) 4.729 20.976 ( -1.567 0.216 2.725) 3.151 21.274 ( 1.969 -0.353 0.573) 2.081 28.106 ( 2.841 -0.744 0.153) 2.941 28.243 ( -0.591 0.152 -0.872) 1.064 36.479 ( -3.857 -10.611 3.000) 11.682 36.850 ( -8.055 18.717 5.382) 21.076 37.271 ( -15.561 -2.614 -4.429) 16.389 40.685 ( 5.355 -1.308 -13.835) 14.893 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -0.957 26.455 21.934) 34.379 2.159 ( -15.926 31.392 6.146) 35.733 3.052 ( -27.389 13.443 -10.088) 32.135 3.368 ( -5.351 5.485 -8.692) 11.587 3.735 ( 2.053 -4.581 -1.729) 5.309 4.343 ( -9.002 5.885 16.020) 19.296 5.594 ( 6.553 4.249 -8.906) 11.845 6.141 ( -3.122 -1.685 2.462) 4.318 6.409 ( 1.954 1.629 -1.561) 2.984 6.731 ( -2.478 0.316 7.854) 8.241 6.910 ( -4.426 10.455 -1.781) 11.492 7.526 ( -14.904 -1.032 0.733) 14.958 10.498 ( 9.037 -4.972 4.360) 11.198 10.923 ( 7.679 -6.715 12.788) 16.358 11.258 ( 2.681 14.186 -5.845) 15.576 11.401 ( -13.527 -0.876 -11.741) 17.933 12.131 ( 10.010 -5.826 -1.580) 11.689 12.298 ( 3.601 -4.788 -0.798) 6.044 18.275 ( 8.115 2.466 -0.279) 8.486 18.312 ( -5.844 -8.452 -2.449) 10.564 18.758 ( 1.838 -1.094 -0.510) 2.199 18.837 ( 0.577 -0.879 -0.513) 1.170 21.050 ( 1.398 -1.686 7.073) 7.405 21.301 ( 1.725 -2.023 2.976) 3.990 28.105 ( 1.057 -2.105 -0.693) 2.456 28.230 ( 0.851 0.571 -0.779) 1.287 36.490 ( 5.898 7.701 -1.144) 9.768 36.730 ( -20.465 -5.173 -1.494) 21.162 37.439 ( -8.838 16.612 6.476) 19.899 40.268 ( -1.969 8.248 -38.547) 39.468 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -7.225 19.949 19.668) 28.931 2.259 ( -16.164 22.178 15.985) 31.760 2.938 ( 2.240 25.314 -10.694) 27.572 3.394 ( 3.496 16.951 -5.523) 18.168 3.696 ( -1.069 -3.326 -6.585) 7.455 4.296 ( -8.063 2.518 11.403) 14.191 5.748 ( 5.795 7.793 -6.067) 11.451 6.076 ( 0.889 -10.045 2.986) 10.517 6.410 ( -4.247 3.102 -2.684) 5.905 6.655 ( -8.818 0.952 3.436) 9.512 6.992 ( -0.518 14.589 1.573) 14.683 7.318 ( -5.886 1.146 -1.492) 6.179 10.544 ( -0.628 -6.015 5.238) 8.001 10.911 ( -18.762 -6.054 -9.504) 21.885 11.086 ( 8.521 1.328 5.755) 10.368 11.544 ( 4.521 12.236 -1.064) 13.088 12.233 ( 5.496 -5.980 -3.280) 8.759 12.389 ( 13.971 -6.258 4.347) 15.914 18.121 ( -3.662 -8.317 -1.558) 9.220 18.412 ( 4.852 2.624 -2.836) 6.202 18.761 ( 0.065 -1.471 0.586) 1.585 18.811 ( -1.284 -2.351 -1.864) 3.264 21.089 ( 1.499 -3.207 7.247) 8.065 21.316 ( 0.912 -3.205 3.917) 5.143 28.085 ( 0.359 -2.920 -1.001) 3.108 28.248 ( 0.390 0.844 -0.504) 1.057 36.391 ( -12.378 -1.242 -2.479) 12.685 36.711 ( 9.211 12.163 -3.297) 15.609 37.416 ( -13.115 12.248 4.601) 18.525 40.190 ( 0.720 16.502 -38.061) 41.490 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -11.661 13.518 24.628) 30.418 2.268 ( -9.320 22.635 -2.758) 24.634 3.176 ( 9.842 -1.796 -7.204) 12.328 3.585 ( 1.355 -2.966 -6.114) 6.929 3.815 ( 10.890 28.498 -0.213) 30.509 4.341 ( -1.381 19.829 12.331) 23.391 5.687 ( -6.911 -8.091 -11.954) 16.004 6.013 ( -4.650 -8.498 3.628) 10.344 6.383 ( 4.796 6.660 -3.382) 8.876 6.648 ( -1.607 8.048 7.549) 11.151 7.141 ( -0.158 12.477 4.133) 13.145 7.331 ( 4.707 3.063 -3.865) 6.818 10.362 ( -12.690 -4.383 -2.113) 13.591 10.668 ( -3.885 -3.952 3.495) 6.552 11.300 ( 11.465 4.809 0.138) 12.434 11.675 ( 0.955 7.026 1.106) 7.177 12.215 ( 1.807 -5.557 -3.812) 6.977 12.477 ( -0.502 -9.858 4.899) 11.020 18.060 ( 6.148 -6.455 -0.789) 8.949 18.449 ( -1.288 2.219 -2.898) 3.870 18.707 ( -3.132 -5.816 -1.439) 6.761 18.759 ( -1.994 0.259 -0.661) 2.117 21.106 ( 0.269 -2.735 5.543) 6.187 21.306 ( -0.172 -3.883 3.702) 5.367 28.059 ( 0.341 -2.396 -0.942) 2.597 28.250 ( -0.567 0.655 -0.679) 1.101 36.311 ( 3.946 1.382 -1.507) 4.444 36.963 ( 6.241 13.817 -3.937) 15.664 37.336 ( -9.378 10.060 2.913) 14.058 40.189 ( -0.252 15.321 -30.947) 34.532 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -0.261 13.777 19.909) 24.213 2.323 ( 0.511 6.553 -3.647) 7.517 3.197 ( 0.981 2.525 -6.013) 6.595 3.704 ( 14.077 3.757 -6.178) 15.826 4.055 ( -1.025 10.458 1.069) 10.562 4.791 ( 9.648 30.765 8.420) 33.323 5.390 ( -5.935 -11.463 -12.719) 18.122 5.825 ( -8.641 -5.467 2.445) 10.514 6.584 ( 9.795 4.888 -0.886) 10.983 6.771 ( 0.379 10.090 8.019) 12.894 7.264 ( -0.567 9.999 3.042) 10.467 7.440 ( 7.849 -0.455 -3.604) 8.649 10.162 ( -4.640 -2.807 -1.562) 5.644 10.616 ( -3.290 -0.901 5.658) 6.607 11.537 ( 8.885 5.029 -1.184) 10.278 11.749 ( 1.990 2.673 2.680) 4.276 12.091 ( -12.079 -6.866 -2.238) 14.073 12.305 ( -4.702 -6.686 2.225) 8.471 18.177 ( 13.554 -5.021 -0.481) 14.462 18.404 ( -4.995 2.658 -1.383) 5.825 18.559 ( -4.984 -7.367 -2.921) 9.361 18.708 ( -4.180 -0.181 -0.290) 4.194 21.107 ( -0.317 -1.324 3.666) 3.910 21.275 ( -0.919 -3.726 2.677) 4.679 28.046 ( 0.585 -0.995 -0.754) 1.379 28.238 ( -0.861 0.357 -0.878) 1.281 36.498 ( 16.073 0.471 -0.629) 16.092 37.089 ( -6.025 15.703 -1.834) 16.919 37.392 ( 4.680 6.442 1.249) 8.059 40.151 ( -3.338 10.538 -23.048) 25.562 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 5.655 8.229 9.989) 14.124 2.463 ( 14.209 0.392 3.252) 14.582 3.233 ( -1.585 8.562 -3.112) 9.247 3.982 ( 14.251 2.055 -3.921) 14.922 4.122 ( -2.899 15.251 -0.221) 15.525 5.004 ( -2.216 1.735 -9.348) 9.762 5.333 ( 7.993 -0.323 0.250) 8.004 5.694 ( -6.390 5.301 1.931) 8.524 6.755 ( 6.574 1.489 0.663) 6.773 6.929 ( 1.818 11.059 7.202) 13.322 7.305 ( -5.917 7.332 -2.300) 9.698 7.549 ( 9.579 -5.432 0.603) 11.029 10.135 ( 3.230 -0.377 -0.142) 3.255 10.587 ( -3.143 0.847 4.114) 5.246 11.459 ( -20.623 -5.258 -0.124) 21.283 11.809 ( -0.840 -4.525 3.466) 5.761 11.911 ( 4.610 5.677 -0.041) 7.313 12.258 ( 1.423 -2.550 -0.486) 2.960 18.330 ( -4.676 2.797 -0.831) 5.512 18.360 ( 6.882 -7.102 -4.369) 10.812 18.401 ( 1.273 -4.775 1.241) 5.095 18.617 ( -5.761 0.118 -0.306) 5.771 21.109 ( -0.208 -0.194 2.201) 2.219 21.234 ( -1.226 -3.060 1.587) 3.658 28.052 ( 0.901 0.388 -0.354) 1.043 28.222 ( -0.828 0.095 -1.000) 1.302 36.780 ( 14.868 -0.475 -0.455) 14.882 37.149 ( -1.256 16.451 -2.411) 16.674 37.543 ( 5.712 1.817 3.086) 6.742 40.062 ( -4.529 5.665 -15.864) 17.443 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 8.946 1.739 0.294) 9.118 2.749 ( 12.143 2.874 5.335) 13.571 3.285 ( 0.063 8.227 0.712) 8.258 4.000 ( -9.120 5.750 -5.033) 11.899 4.356 ( 8.128 10.753 2.941) 13.797 5.004 ( 8.675 -3.517 -3.357) 9.945 5.389 ( 6.901 -6.534 -3.387) 10.089 5.717 ( -5.275 13.425 -1.917) 14.551 6.832 ( 2.590 -3.135 2.158) 4.604 7.097 ( -2.691 13.976 2.794) 14.505 7.198 ( -6.000 -0.060 -1.351) 6.150 7.649 ( 7.651 -6.074 1.694) 9.915 10.240 ( 6.684 3.156 0.398) 7.402 10.557 ( -4.614 2.586 1.943) 5.635 11.036 ( -17.558 -6.687 1.535) 18.851 11.785 ( -1.177 -1.312 2.264) 2.869 12.037 ( 4.836 0.214 -0.339) 4.852 12.260 ( 0.408 -1.705 0.452) 1.810 18.223 ( -2.805 -6.619 -0.581) 7.213 18.285 ( -4.166 3.564 -2.667) 6.097 18.476 ( -0.920 -1.424 -0.545) 1.781 18.592 ( 6.120 -1.732 0.649) 6.393 21.117 ( 0.080 0.353 1.161) 1.216 21.192 ( -1.348 -2.202 0.765) 2.693 28.080 ( 1.426 1.205 0.182) 1.876 28.201 ( -1.149 -0.138 -0.992) 1.525 36.928 ( 0.890 5.878 0.575) 5.973 37.360 ( 11.269 8.814 -7.738) 16.265 37.635 ( 2.935 -1.911 7.453) 8.235 39.971 ( -2.428 1.508 -9.106) 9.544 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 0.505 1.544 -10.819) 10.940 2.974 ( 9.966 -1.151 9.002) 13.479 3.378 ( -6.330 13.135 0.724) 14.599 3.862 ( -4.707 2.192 -5.095) 7.275 4.554 ( 4.089 6.253 5.614) 9.345 5.037 ( 0.823 -11.944 0.672) 11.992 5.538 ( 7.990 6.568 -1.512) 10.453 5.715 ( 0.409 3.965 -4.956) 6.360 6.811 ( -2.812 -2.637 5.417) 6.648 6.973 ( -11.677 6.217 -7.114) 15.020 7.296 ( 5.804 2.591 5.062) 8.126 7.688 ( 2.740 -5.608 0.188) 6.244 10.377 ( -0.298 9.186 -0.312) 9.196 10.505 ( -4.739 5.206 1.061) 7.119 10.831 ( 1.582 -9.712 0.975) 9.888 11.754 ( -1.911 -1.370 0.970) 2.544 12.076 ( 2.013 -2.450 -0.770) 3.263 12.221 ( -2.914 -3.214 1.871) 4.725 18.142 ( -0.415 -4.118 -0.221) 4.145 18.258 ( -1.484 2.671 -0.064) 3.056 18.443 ( -1.755 2.502 -0.754) 3.148 18.673 ( 5.281 -3.661 -0.745) 6.469 21.129 ( 0.216 0.451 0.387) 0.632 21.154 ( -1.268 -1.350 0.338) 1.883 28.124 ( 2.000 1.524 0.565) 2.577 28.168 ( -1.801 -0.519 -0.786) 2.033 36.977 ( -4.124 9.997 1.169) 10.877 37.462 ( 1.037 -5.835 -3.073) 6.676 37.750 ( 7.136 3.612 0.715) 8.030 39.944 ( 2.933 -0.879 -2.701) 4.084 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -2.608 3.197 -10.842) 11.601 3.119 ( 2.595 -2.478 0.288) 3.600 3.240 ( -19.570 13.419 2.060) 23.818 3.909 ( 6.721 -0.491 1.230) 6.850 4.692 ( -1.475 -1.673 3.547) 4.189 4.834 ( -2.497 -8.033 -1.387) 8.526 5.554 ( -2.542 2.126 -3.037) 4.495 5.817 ( -1.029 -0.286 4.861) 4.977 6.820 ( -2.464 10.646 -0.551) 10.942 6.843 ( -3.342 -0.599 -0.380) 3.416 7.425 ( 7.231 -3.169 2.354) 8.239 7.628 ( -3.315 -3.763 -2.292) 5.514 10.372 ( -8.236 10.920 -1.454) 13.754 10.547 ( 0.630 5.822 -1.210) 5.980 10.853 ( 10.819 -11.017 0.293) 15.444 11.713 ( -1.259 -0.926 0.009) 1.563 12.061 ( -2.112 -0.467 0.042) 2.163 12.149 ( -0.797 -5.188 3.470) 6.292 18.118 ( 1.084 -2.991 1.215) 3.406 18.289 ( 1.609 2.027 1.252) 2.875 18.461 ( 0.944 2.952 -0.729) 3.183 18.693 ( 2.082 -2.071 -2.589) 3.915 21.113 ( -1.821 -0.360 -0.094) 1.858 21.151 ( 1.022 0.051 0.190) 1.040 28.124 ( -2.196 -0.845 -0.427) 2.391 28.178 ( 2.212 1.369 0.547) 2.658 36.991 ( -6.018 8.231 0.750) 10.224 37.330 ( -7.034 -8.102 4.726) 11.724 37.862 ( 3.477 2.438 -7.710) 8.802 40.036 ( 9.007 -0.642 1.443) 9.144 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -7.650 3.733 -6.094) 10.469 2.887 ( -20.478 10.288 -7.558) 24.131 3.267 ( 3.607 0.919 4.972) 6.211 3.975 ( -0.958 -3.142 5.756) 6.627 4.314 ( -19.093 -12.197 -0.469) 22.661 5.061 ( 19.442 1.114 0.186) 19.474 5.557 ( -1.654 5.347 -3.335) 6.515 5.637 ( -17.327 -2.528 5.392) 18.322 6.757 ( -2.627 -3.349 1.638) 4.560 6.907 ( -5.640 9.094 -0.119) 10.702 7.454 ( 2.778 -8.982 -4.857) 10.582 7.549 ( -2.546 2.270 1.679) 3.802 10.328 ( -5.596 6.636 -3.469) 9.348 10.618 ( 3.158 6.099 -4.442) 8.180 10.939 ( 11.302 -11.613 1.591) 16.282 11.714 ( 0.367 2.794 0.972) 2.981 11.995 ( -5.711 0.549 1.596) 5.955 12.155 ( 3.550 -2.984 3.284) 5.683 18.117 ( 1.769 -5.603 2.901) 6.552 18.344 ( 2.218 1.632 0.994) 2.927 18.517 ( 3.657 1.141 -0.938) 3.944 18.706 ( 1.209 3.179 -3.577) 4.936 21.077 ( -2.146 0.025 0.032) 2.146 21.174 ( 1.615 -0.025 0.019) 1.615 28.079 ( -1.597 -1.097 0.000) 1.938 28.225 ( 1.628 1.035 0.023) 1.929 36.898 ( -6.672 -7.429 0.080) 9.985 37.192 ( -11.067 7.397 8.455) 15.770 37.834 ( -2.467 -0.671 -9.187) 9.536 40.224 ( 11.795 0.499 0.900) 11.840 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -18.920 0.951 -1.309) 18.989 2.644 ( -18.097 11.464 -7.431) 22.675 3.369 ( 4.244 3.244 -1.489) 5.546 3.760 ( -13.023 -13.794 9.185) 21.077 4.094 ( -4.094 1.598 2.873) 5.251 5.162 ( -32.417 4.817 1.114) 32.792 5.386 ( 16.947 -6.840 -5.194) 18.998 5.703 ( 8.279 8.429 0.725) 11.836 6.675 ( -7.468 -3.039 4.709) 9.337 6.790 ( -7.582 -0.812 -2.458) 8.011 7.346 ( -6.250 -3.524 -6.017) 9.364 7.566 ( -0.948 3.697 6.398) 7.450 10.288 ( -1.898 2.662 -4.758) 5.773 10.724 ( 6.963 3.407 -7.711) 10.934 11.006 ( 8.649 -13.051 4.059) 16.174 11.802 ( 2.720 7.923 2.820) 8.839 11.909 ( -5.236 0.800 -0.532) 5.324 12.215 ( 3.250 -0.598 2.910) 4.404 18.084 ( 1.252 -8.647 3.344) 9.355 18.419 ( 4.318 1.654 0.450) 4.646 18.588 ( 4.753 -0.296 -1.492) 4.990 18.754 ( 0.326 6.361 -3.010) 7.045 21.043 ( -2.205 0.331 0.633) 2.317 21.204 ( 2.002 -0.263 0.180) 2.027 28.055 ( -0.100 -0.963 0.325) 1.022 28.249 ( 0.568 0.432 -0.795) 1.068 36.670 ( -6.899 -13.576 1.981) 15.356 37.173 ( -10.858 16.834 7.837) 21.510 37.689 ( -7.815 -2.505 -6.975) 10.770 40.414 ( 10.412 0.103 -4.516) 11.349 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -24.977 -4.144 3.159) 25.515 2.393 ( -23.592 19.499 -8.944) 31.887 3.395 ( -2.561 2.984 -4.086) 5.671 3.611 ( 1.337 -8.844 9.673) 13.175 4.052 ( -4.992 -0.383 -2.127) 5.439 4.627 ( -39.459 13.186 8.072) 42.380 5.501 ( 11.559 -8.596 -11.489) 18.426 5.987 ( 11.126 8.561 3.535) 14.476 6.478 ( -10.459 -1.164 -2.911) 10.919 6.725 ( -0.646 -3.545 6.543) 7.470 7.127 ( -12.338 -0.725 -4.243) 13.067 7.644 ( -1.849 7.235 9.733) 12.268 10.277 ( 1.981 -0.086 -3.456) 3.984 10.815 ( 10.233 -7.765 -7.682) 14.968 11.022 ( 1.409 -2.987 4.100) 5.264 11.805 ( -8.210 3.228 0.912) 8.869 11.980 ( 8.191 3.963 -2.983) 9.576 12.267 ( 2.227 -0.750 1.482) 2.778 18.059 ( 3.522 -6.403 2.966) 7.887 18.494 ( 3.453 -1.953 -0.351) 3.983 18.656 ( 4.674 -0.098 -1.678) 4.967 18.798 ( -0.669 5.495 -1.772) 5.812 21.019 ( -1.756 0.440 2.074) 2.753 21.238 ( 2.179 -0.604 0.736) 2.378 28.062 ( 1.558 -0.633 0.428) 1.735 28.246 ( -0.296 -0.183 -1.496) 1.536 36.469 ( -4.424 -8.890 2.593) 10.263 37.220 ( -9.282 19.199 7.823) 22.715 37.460 ( -12.521 -3.229 -4.163) 13.584 40.502 ( 5.990 -1.714 -14.546) 15.824 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -6.243 24.742 18.790) 31.689 2.711 ( -14.877 23.836 1.394) 28.132 3.265 ( -0.840 -12.146 1.476) 12.264 3.540 ( -9.115 15.391 -9.758) 20.376 3.708 ( -10.197 -1.418 -10.316) 14.574 4.811 ( -21.390 14.279 9.662) 27.474 5.378 ( 14.136 -2.815 -6.985) 16.017 6.113 ( 2.693 -12.950 2.416) 13.446 6.398 ( -2.892 8.565 -3.009) 9.528 6.812 ( 0.590 1.581 8.065) 8.240 7.147 ( -5.995 14.186 0.394) 15.405 7.750 ( -11.785 -2.975 1.701) 12.274 10.309 ( 9.909 -3.655 1.947) 10.740 10.714 ( 15.191 -3.418 7.776) 17.404 11.283 ( 4.101 10.968 -3.450) 12.207 11.564 ( -14.926 -6.057 -8.531) 18.228 12.013 ( 1.732 -2.785 3.756) 4.986 12.215 ( 0.153 -3.446 -2.367) 4.184 18.148 ( 8.272 1.781 -0.755) 8.495 18.314 ( -3.445 -6.578 -1.362) 7.549 18.684 ( 4.259 -1.990 -1.540) 4.947 18.836 ( -1.869 -1.043 0.571) 2.215 21.058 ( -0.111 -0.084 3.532) 3.535 21.261 ( 2.168 -2.047 2.106) 3.650 28.079 ( 0.154 -0.484 -0.104) 0.519 28.210 ( 1.253 0.034 -1.516) 1.968 36.473 ( 4.287 7.611 -1.357) 8.841 37.025 ( -19.791 -4.010 -0.241) 20.194 37.766 ( -6.677 14.921 7.718) 18.077 40.164 ( 0.116 1.724 -26.213) 26.270 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -4.524 22.864 16.692) 28.668 2.738 ( -10.038 12.868 15.967) 22.832 3.121 ( -9.700 5.592 -11.505) 16.054 3.455 ( -3.273 4.876 -3.031) 6.608 3.642 ( 2.271 11.154 -12.870) 17.181 4.662 ( -16.156 15.316 5.123) 22.844 5.595 ( 14.782 0.868 -3.314) 15.173 5.972 ( -1.770 -16.961 -0.528) 17.061 6.436 ( -2.044 6.394 -2.211) 7.067 6.844 ( -4.716 4.175 7.195) 9.562 7.222 ( -3.502 16.407 1.203) 16.820 7.487 ( -13.654 -1.757 0.497) 13.776 10.449 ( 7.902 -2.188 2.649) 8.616 10.969 ( 10.491 -0.918 7.771) 13.088 11.125 ( -19.129 -11.133 -7.809) 23.470 11.524 ( 9.802 11.600 -0.887) 15.213 12.064 ( 5.359 -2.770 1.466) 6.209 12.196 ( 4.698 -4.511 -0.230) 6.517 18.123 ( -5.817 -7.912 -2.169) 10.057 18.322 ( 6.761 2.978 -1.511) 7.541 18.712 ( 2.615 -3.780 -0.122) 4.598 18.804 ( -0.752 -1.111 -0.892) 1.611 21.078 ( 0.714 -0.814 4.027) 4.169 21.280 ( 1.600 -3.054 2.769) 4.422 28.060 ( -0.612 -1.507 -0.705) 1.773 28.236 ( 1.550 0.770 -0.923) 1.961 36.635 ( -12.270 2.669 -3.616) 13.068 36.678 ( 0.573 7.557 -0.280) 7.584 37.773 ( -11.785 10.867 6.069) 17.141 40.107 ( 3.620 8.155 -27.264) 28.687 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -10.245 13.387 16.799) 23.798 2.627 ( -18.817 5.977 -4.079) 20.161 3.052 ( 2.638 4.164 -1.717) 5.220 3.437 ( 3.567 -6.378 -7.160) 10.231 3.907 ( 8.101 23.863 0.718) 25.211 4.690 ( -5.416 27.398 2.095) 28.007 5.640 ( -5.372 -15.782 -5.555) 17.572 5.907 ( 10.466 -2.673 1.196) 10.868 6.372 ( -4.154 -1.488 -5.059) 6.713 6.857 ( -5.829 10.854 9.208) 15.381 7.315 ( -1.393 3.012 -3.055) 4.511 7.369 ( -5.450 14.773 5.784) 16.775 10.494 ( -5.854 -4.595 1.267) 7.549 10.716 ( -7.882 -5.737 -1.566) 9.874 11.174 ( 9.306 3.164 3.385) 10.395 11.718 ( 2.619 5.918 0.563) 6.496 12.089 ( 3.532 -4.551 -4.788) 7.491 12.320 ( 10.168 -6.106 5.384) 13.026 17.969 ( -2.095 -5.721 -0.553) 6.118 18.427 ( 3.786 1.684 -2.794) 4.998 18.679 ( -0.964 -6.149 -0.899) 6.288 18.782 ( -0.763 0.369 -0.982) 1.297 21.100 ( 0.637 -1.085 3.569) 3.784 21.280 ( 0.688 -3.814 2.861) 4.817 28.034 ( -0.226 -1.319 -0.525) 1.437 28.254 ( 0.338 0.488 -1.018) 1.178 36.378 ( -10.074 1.302 -0.718) 10.183 36.924 ( 9.313 12.937 -3.702) 16.365 37.663 ( -14.150 8.547 3.723) 16.945 40.148 ( 4.178 10.413 -23.662) 26.188 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -9.711 9.133 19.821) 23.887 2.313 ( -8.317 -7.628 -15.502) 19.175 3.185 ( 4.835 6.709 1.830) 8.469 3.467 ( 9.738 0.174 -9.051) 13.296 4.185 ( 1.162 14.435 2.555) 14.705 5.013 ( 5.519 28.609 1.566) 29.179 5.318 ( -9.043 -13.059 -6.843) 17.296 5.939 ( -5.359 -1.661 1.180) 5.734 6.401 ( 11.814 -1.405 -2.040) 12.071 6.939 ( -3.264 11.234 9.271) 14.927 7.304 ( 1.656 -1.478 -0.036) 2.220 7.483 ( -3.789 15.935 0.891) 16.403 10.244 ( -9.702 -5.516 -1.631) 11.279 10.693 ( -1.217 0.662 7.109) 7.242 11.400 ( 11.230 4.781 0.692) 12.225 11.774 ( -0.158 2.459 0.999) 2.658 12.072 ( 2.130 -3.894 -5.848) 7.341 12.331 ( -3.055 -9.648 3.687) 10.771 17.966 ( 6.533 -2.795 0.543) 7.127 18.452 ( -0.357 -0.501 -1.474) 1.598 18.559 ( -4.304 -5.526 -4.004) 8.068 18.764 ( -2.087 0.226 0.429) 2.142 21.113 ( 0.144 -0.649 2.620) 2.703 21.259 ( -0.179 -3.864 2.319) 4.510 28.026 ( 0.459 -0.308 -0.203) 0.589 28.248 ( -0.584 -0.045 -1.189) 1.325 36.340 ( 3.457 2.269 -0.416) 4.156 37.170 ( 7.601 10.647 -3.208) 13.469 37.542 ( -10.555 8.258 2.499) 13.633 40.177 ( 0.031 8.719 -18.405) 20.366 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 6.698 -14.864 -5.745) 17.286 2.332 ( 1.225 11.139 13.617) 17.635 3.322 ( 1.681 6.791 1.788) 7.221 3.663 ( 17.164 0.317 -8.321) 19.077 4.306 ( -1.777 14.011 -1.968) 14.259 5.030 ( -3.666 -11.560 -6.340) 13.684 5.300 ( -3.240 15.311 0.168) 15.651 5.872 ( -3.695 7.240 1.426) 8.253 6.589 ( 12.016 -4.376 0.449) 12.796 7.050 ( -0.665 9.575 8.302) 12.690 7.350 ( 6.978 -3.863 0.120) 7.977 7.528 ( -7.917 13.111 -1.656) 15.405 10.113 ( -1.384 -1.552 0.120) 2.083 10.698 ( -4.043 2.094 7.376) 8.668 11.575 ( 2.067 -2.665 0.997) 3.517 11.789 ( -0.694 1.098 1.168) 1.747 11.983 ( -5.721 -1.049 -2.843) 6.474 12.191 ( -0.152 -5.673 -0.975) 5.758 18.109 ( 11.305 -1.795 -0.171) 11.448 18.362 ( -3.872 -8.228 -0.401) 9.103 18.450 ( -3.894 2.269 -3.744) 5.859 18.714 ( -4.540 0.517 0.896) 4.656 21.121 ( -0.123 0.067 1.686) 1.692 21.226 ( -0.657 -3.248 1.472) 3.626 28.040 ( 0.928 0.740 -0.029) 1.187 28.228 ( -0.679 -0.421 -1.109) 1.367 36.503 ( 13.405 0.736 -1.164) 13.475 37.325 ( 0.821 9.146 -2.871) 9.621 37.526 ( -1.231 6.257 3.577) 7.311 40.131 ( -4.445 5.710 -12.905) 14.795 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 13.572 -9.059 6.659) 17.624 2.592 ( 10.553 10.121 2.452) 14.826 3.378 ( -1.770 3.716 3.019) 5.104 3.925 ( 17.842 -3.936 -3.537) 18.610 4.415 ( -0.031 15.959 -5.342) 16.829 4.884 ( -1.100 -4.978 -3.394) 6.124 5.287 ( -3.098 1.017 -1.658) 3.658 5.921 ( -4.178 10.582 -1.159) 11.436 6.699 ( 8.147 -8.333 1.336) 11.730 7.176 ( 1.205 5.843 7.659) 9.708 7.443 ( -4.132 4.063 -3.527) 6.784 7.465 ( 0.616 3.119 0.111) 3.181 10.158 ( 5.638 2.385 0.782) 6.172 10.675 ( -4.953 2.198 5.736) 7.891 11.315 ( -19.764 -8.447 0.858) 21.510 11.794 ( 0.318 -0.934 2.255) 2.461 11.988 ( 1.794 3.121 -1.336) 3.840 12.192 ( 4.206 -2.504 -2.831) 5.655 18.165 ( -0.086 -7.385 -4.108) 8.450 18.322 ( 4.601 -0.620 -0.384) 4.659 18.403 ( -1.124 0.872 1.131) 1.818 18.645 ( -5.100 2.137 1.156) 5.649 21.128 ( -0.178 0.514 0.945) 1.090 21.192 ( -0.818 -2.268 0.686) 2.506 28.068 ( 1.239 1.114 -0.002) 1.666 28.209 ( -0.614 -0.451 -0.742) 1.063 36.751 ( 15.997 -0.830 -2.266) 16.178 37.376 ( -0.982 6.232 -4.266) 7.616 37.625 ( 2.747 4.916 6.679) 8.736 40.025 ( -6.108 2.384 -7.729) 10.136 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 7.788 -1.164 5.000) 9.328 2.839 ( 8.842 5.712 -2.155) 10.745 3.431 ( 4.523 1.322 5.030) 6.892 4.040 ( -3.937 1.115 -1.326) 4.302 4.556 ( 4.093 8.756 -2.180) 9.908 4.859 ( 4.729 -7.373 -1.637) 8.911 5.336 ( 11.428 3.243 -2.700) 12.182 5.856 ( -9.885 0.944 -2.303) 10.194 6.753 ( 6.593 -4.955 2.198) 8.535 7.195 ( -9.321 -0.787 1.694) 9.506 7.337 ( -5.218 8.053 -0.807) 9.630 7.578 ( 6.207 -0.869 0.398) 6.280 10.343 ( 9.887 7.150 0.431) 12.209 10.634 ( -4.289 0.736 3.370) 5.505 10.929 ( -17.479 -4.376 1.120) 18.053 11.793 ( -1.686 0.240 2.014) 2.638 12.009 ( 1.499 -1.921 -1.830) 3.047 12.206 ( 1.172 -3.213 -1.995) 3.959 18.088 ( 0.858 -4.698 -2.076) 5.207 18.302 ( -2.923 0.182 -1.203) 3.166 18.462 ( 2.714 -0.528 0.955) 2.925 18.624 ( -0.872 3.282 1.458) 3.695 21.134 ( -0.064 0.442 0.412) 0.608 21.162 ( -0.972 -1.133 0.150) 1.500 28.104 ( 1.887 0.905 0.011) 2.093 28.187 ( -1.249 -0.422 -0.308) 1.354 36.977 ( 11.435 0.905 -1.498) 11.568 37.356 ( 0.015 -4.808 -3.842) 6.155 37.771 ( 2.049 9.226 5.495) 10.932 39.922 ( -3.104 -0.382 -3.147) 4.437 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -1.996 5.892 0.034) 6.221 2.998 ( 7.386 0.827 -0.345) 7.440 3.571 ( 2.946 1.580 2.541) 4.199 3.867 ( -10.617 2.048 -2.937) 11.204 4.680 ( 5.049 1.101 3.063) 6.007 4.786 ( -4.707 -8.824 -2.383) 10.281 5.633 ( -7.955 -8.210 0.972) 11.473 5.678 ( 19.334 5.257 -0.968) 20.059 6.857 ( 2.387 0.234 1.080) 2.631 6.984 ( -9.658 4.524 -1.406) 10.757 7.337 ( -0.211 -2.975 0.493) 3.023 7.634 ( 0.409 0.554 -0.112) 0.698 10.568 ( -1.580 3.133 -0.161) 3.512 10.604 ( 3.934 4.748 0.129) 6.167 10.676 ( -7.037 -0.150 0.024) 7.039 11.754 ( -3.638 0.909 -0.083) 3.751 12.013 ( 3.261 -3.419 0.261) 4.732 12.153 ( -1.747 -4.333 -0.173) 4.675 18.076 ( 1.612 -2.357 -0.014) 2.855 18.267 ( -0.065 -0.784 0.021) 0.787 18.479 ( 0.138 0.194 -0.000) 0.238 18.668 ( 0.919 3.730 -0.006) 3.842 21.137 ( -0.802 -0.645 0.071) 1.031 21.140 ( -0.160 0.595 -0.071) 0.620 28.149 ( 2.526 0.573 -0.037) 2.590 28.152 ( -2.180 -0.647 0.037) 2.275 37.081 ( -1.681 -2.258 0.060) 2.815 37.306 ( 5.556 -5.783 -0.094) 8.020 37.881 ( -2.216 8.878 0.038) 9.151 39.912 ( 4.239 -1.037 -0.003) 4.364 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -5.933 8.367 2.626) 10.587 3.084 ( 1.802 2.287 -6.509) 7.131 3.407 ( -15.681 0.792 0.216) 15.703 3.905 ( 8.087 -1.403 1.388) 8.324 4.477 ( -16.548 -12.523 -0.562) 20.761 4.812 ( 9.753 -2.772 4.576) 11.124 5.542 ( 1.640 -0.254 2.082) 2.662 5.897 ( -1.811 4.184 -1.067) 4.683 6.711 ( -2.549 -9.594 -0.625) 9.947 7.096 ( -3.054 12.598 1.958) 13.110 7.278 ( 3.887 -6.697 -4.807) 9.115 7.619 ( -2.154 0.797 1.598) 2.797 10.470 ( -4.418 -7.116 -2.014) 8.615 10.520 ( -2.986 -0.545 -2.289) 3.802 10.848 ( 4.386 12.868 -2.007) 13.742 11.733 ( 0.122 2.766 -0.335) 2.788 12.064 ( 5.060 -3.569 3.462) 7.095 12.079 ( -3.076 -1.504 1.186) 3.624 18.071 ( 0.105 -3.567 2.229) 4.208 18.282 ( 3.015 -1.613 -0.526) 3.460 18.484 ( 0.978 -0.185 -0.752) 1.248 18.731 ( 1.138 6.573 -0.975) 6.742 21.113 ( -1.753 0.394 0.015) 1.797 21.151 ( 1.003 -0.154 -0.058) 1.017 28.105 ( -2.478 -0.874 0.368) 2.653 28.195 ( 2.512 0.191 -0.404) 2.552 36.908 ( -6.891 -12.900 1.057) 14.664 37.413 ( 2.407 6.335 4.521) 8.146 37.859 ( -6.299 4.276 -4.269) 8.728 40.037 ( 10.279 0.041 -0.269) 10.283 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -14.514 1.306 5.450) 15.559 2.975 ( -11.756 7.422 -11.220) 17.866 3.338 ( 3.314 4.407 1.211) 5.646 3.886 ( -11.512 -9.704 5.072) 15.887 4.170 ( -4.344 -3.247 2.637) 6.031 4.993 ( 14.832 -7.754 2.143) 16.873 5.658 ( 3.867 7.052 0.958) 8.099 5.708 ( -19.436 6.383 -4.120) 20.868 6.645 ( 4.017 -11.789 5.040) 13.436 6.955 ( -12.378 -2.402 -4.268) 13.312 7.325 ( 0.484 1.027 -5.196) 5.318 7.652 ( 1.191 5.616 5.452) 7.917 10.330 ( -2.825 -5.295 -4.316) 7.392 10.470 ( 3.837 -8.297 -2.875) 9.583 11.000 ( 0.519 12.755 -2.025) 12.925 11.803 ( 3.096 5.093 -1.123) 6.065 12.010 ( -3.354 -2.259 3.742) 5.509 12.163 ( 4.570 0.920 3.353) 5.743 18.025 ( -1.009 -6.429 3.253) 7.276 18.328 ( 4.742 -1.405 -1.509) 5.171 18.510 ( 3.017 -0.104 -1.639) 3.435 18.816 ( 0.645 7.648 -0.655) 7.703 21.087 ( -2.038 0.687 0.409) 2.189 21.170 ( 1.649 -0.446 0.090) 1.710 28.063 ( -1.617 -0.752 0.623) 1.889 28.227 ( 1.625 -0.262 -1.047) 1.951 36.667 ( -6.792 -13.103 2.115) 14.909 37.516 ( -4.277 11.789 7.307) 14.514 37.739 ( -6.896 0.242 -5.313) 8.709 40.212 ( 10.578 0.051 -4.435) 11.471 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -21.286 -3.550 7.065) 22.707 2.834 ( -11.209 14.530 -10.515) 21.150 3.466 ( -0.748 9.636 -5.000) 10.882 3.592 ( -8.288 -12.054 13.390) 19.831 4.135 ( -4.064 0.922 -0.916) 4.266 5.143 ( 12.791 -9.678 -3.333) 16.382 5.332 ( -26.941 9.062 -0.526) 28.429 5.884 ( 9.692 7.332 0.305) 12.157 6.601 ( -3.234 -7.847 2.547) 8.861 6.737 ( -5.143 -2.538 1.018) 5.825 7.249 ( -5.350 0.303 -4.742) 7.156 7.775 ( 0.413 7.711 7.637) 10.861 10.235 ( 0.454 -5.844 -3.706) 6.935 10.464 ( 8.125 -10.525 -2.774) 13.583 11.102 ( -1.005 11.187 -1.674) 11.357 11.876 ( 0.931 2.081 -4.712) 5.234 11.973 ( -1.677 0.617 5.589) 5.868 12.245 ( 1.841 0.988 1.973) 2.874 17.977 ( 1.182 -5.126 2.909) 6.011 18.385 ( 4.819 -2.983 -1.665) 5.907 18.562 ( 4.447 -0.202 -2.312) 5.016 18.876 ( -1.409 5.650 -0.005) 5.823 21.064 ( -1.895 0.722 1.214) 2.364 21.198 ( 2.098 -0.766 0.526) 2.295 28.048 ( -0.020 -0.183 0.779) 0.800 28.232 ( 0.431 -0.731 -1.757) 1.952 36.475 ( -4.428 -7.925 2.132) 9.325 37.561 ( -6.589 2.519 2.238) 7.401 37.604 ( -9.135 10.433 2.437) 14.080 40.315 ( 6.485 -1.561 -11.428) 13.233 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -5.237 22.390 15.202) 27.565 2.967 ( 6.736 3.236 -8.090) 11.013 3.259 ( -16.117 -7.032 16.919) 24.402 3.675 ( -5.451 7.555 -15.564) 18.140 4.019 ( -15.404 16.289 -7.719) 23.710 5.031 ( 15.695 -8.511 -3.797) 18.254 5.315 ( -19.594 11.363 1.617) 22.708 5.946 ( 2.179 -11.726 2.139) 12.117 6.512 ( 1.292 6.530 -1.415) 6.805 6.820 ( 3.220 1.366 7.729) 8.483 7.329 ( -0.467 10.652 -0.455) 10.672 7.852 ( -5.952 -6.628 -0.057) 8.909 10.133 ( 8.818 -0.292 1.183) 8.902 10.520 ( 9.563 1.824 4.683) 10.803 11.305 ( 0.641 2.195 0.336) 2.312 11.698 ( -10.481 -2.864 -4.866) 11.905 11.987 ( 0.805 -3.017 3.326) 4.562 12.203 ( -2.983 -2.450 -2.551) 4.627 18.038 ( 6.259 1.996 -0.837) 6.623 18.285 ( -0.210 -4.078 -0.628) 4.131 18.579 ( 4.185 -2.125 -1.652) 4.976 18.880 ( -4.014 -1.647 0.759) 4.405 21.083 ( -0.949 0.566 1.707) 2.033 21.212 ( 2.263 -1.846 1.197) 3.156 28.087 ( -0.146 1.169 0.801) 1.425 28.177 ( 0.873 -0.745 -2.030) 2.332 36.475 ( 3.568 7.562 -1.507) 8.496 37.295 ( -15.299 -2.152 0.632) 15.463 37.996 ( -1.979 9.068 5.853) 10.973 40.067 ( -1.430 -0.990 -15.879) 15.974 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -5.466 23.068 13.238) 27.152 3.038 ( -11.031 -5.159 14.649) 19.050 3.066 ( 6.237 -0.163 -5.726) 8.468 3.599 ( -4.682 5.775 -11.408) 13.617 3.889 ( -16.153 26.310 -6.645) 31.580 5.077 ( -14.204 9.773 -5.040) 17.963 5.277 ( 16.303 -2.923 0.262) 16.565 5.820 ( -1.212 -16.042 -0.157) 16.088 6.591 ( -4.031 10.318 0.520) 11.090 6.925 ( 2.663 2.836 6.459) 7.540 7.414 ( -2.693 10.775 0.732) 11.131 7.647 ( -8.011 -6.257 -0.822) 10.199 10.310 ( 9.081 2.869 1.007) 9.576 10.781 ( 14.262 0.686 7.041) 15.921 11.220 ( -9.719 -13.806 -2.520) 17.071 11.547 ( -1.456 9.714 -0.375) 9.830 11.999 ( 2.288 -2.873 2.966) 4.721 12.123 ( -1.094 -2.944 -2.925) 4.292 18.106 ( -0.176 -3.673 -3.019) 4.758 18.260 ( 2.548 1.147 0.050) 2.794 18.613 ( 3.840 -3.954 -0.752) 5.563 18.811 ( -2.039 -1.677 0.036) 2.640 21.087 ( -0.162 0.294 2.094) 2.120 21.233 ( 1.934 -2.622 1.658) 3.656 28.073 ( -1.933 0.060 -0.123) 1.938 28.202 ( 2.528 0.441 -1.230) 2.846 36.651 ( 6.477 12.656 -3.144) 14.561 36.971 ( -20.200 -1.884 0.727) 20.301 38.046 ( -5.929 6.503 5.774) 10.526 39.988 ( 2.297 2.838 -18.270) 18.631 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -9.555 10.797 4.316) 15.049 2.876 ( -10.461 -8.592 1.760) 13.652 3.113 ( -0.706 5.681 1.044) 5.819 3.438 ( -12.521 5.197 -5.183) 14.514 4.046 ( 2.930 24.850 2.365) 25.133 5.001 ( -5.265 17.547 -6.587) 19.468 5.479 ( 6.029 -12.841 0.874) 14.213 5.687 ( 8.458 -4.732 -2.174) 9.933 6.503 ( -12.608 1.792 -2.137) 12.913 7.037 ( 0.844 7.464 5.293) 9.189 7.408 ( -6.092 3.200 -0.208) 6.884 7.574 ( -1.474 6.798 4.294) 8.174 10.476 ( 5.122 1.847 1.463) 5.638 10.800 ( -12.218 -12.319 -3.659) 17.732 11.060 ( 9.571 1.278 4.819) 10.791 11.711 ( 4.938 7.285 1.550) 8.937 12.000 ( 0.475 -3.813 -1.700) 4.201 12.141 ( 7.486 -2.635 2.858) 8.435 17.984 ( -5.058 -4.443 -0.834) 6.784 18.353 ( 5.054 1.784 -1.810) 5.657 18.612 ( 1.454 -5.629 -0.583) 5.843 18.782 ( -0.031 -0.432 -1.166) 1.243 21.101 ( 0.316 0.112 2.037) 2.064 21.240 ( 1.258 -3.250 1.828) 3.935 28.041 ( -1.520 0.028 -0.055) 1.521 28.236 ( 1.562 0.223 -1.218) 1.993 36.631 ( -17.981 0.489 0.534) 17.996 36.890 ( 7.829 13.638 -3.417) 16.092 37.966 ( -11.561 3.558 4.068) 12.762 40.027 ( 6.840 5.921 -16.881) 19.153 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -16.068 -9.325 -20.465) 27.639 2.573 ( -14.088 1.984 15.179) 20.804 3.200 ( 0.560 6.944 2.965) 7.571 3.354 ( 1.173 4.510 -5.125) 6.926 4.323 ( 1.895 15.734 4.642) 16.514 5.050 ( -0.673 -6.115 -5.292) 8.115 5.420 ( 0.449 13.520 -0.171) 13.528 5.913 ( 11.139 1.309 1.136) 11.273 6.277 ( -7.282 -3.467 -3.674) 8.862 7.130 ( -1.565 7.647 4.647) 9.084 7.330 ( -5.578 1.336 0.651) 5.772 7.677 ( -0.247 10.008 4.191) 10.853 10.341 ( -10.752 -8.897 -1.569) 14.043 10.719 ( 3.294 2.608 3.981) 5.788 11.272 ( 10.315 4.333 1.338) 11.268 11.801 ( 0.207 2.562 0.700) 2.664 11.967 ( 2.056 -3.121 -4.141) 5.578 12.247 ( 4.745 -6.400 3.883) 8.862 17.905 ( -0.354 -0.908 0.998) 1.395 18.415 ( 2.126 -1.522 -0.901) 2.766 18.543 ( -1.741 -4.651 -3.497) 6.073 18.781 ( 0.253 -0.049 -0.419) 0.492 21.118 ( 0.307 0.224 1.576) 1.621 21.231 ( 0.464 -3.400 1.634) 3.801 28.028 ( -0.474 0.618 0.385) 0.868 28.243 ( 0.171 -0.473 -1.437) 1.522 36.415 ( -9.030 2.070 0.823) 9.301 37.127 ( 7.258 11.167 -3.107) 13.677 37.808 ( -11.619 3.064 2.279) 12.230 40.122 ( 5.421 5.818 -13.275) 15.474 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -6.724 -14.656 -13.795) 21.220 2.534 ( -5.280 5.758 11.609) 13.993 3.283 ( 5.401 1.022 -0.791) 5.553 3.467 ( 5.691 5.522 -3.062) 8.500 4.443 ( -2.433 10.028 -2.434) 10.602 4.897 ( 0.507 -12.599 -0.879) 12.640 5.621 ( -6.749 21.876 -0.072) 22.894 5.952 ( -1.677 1.398 0.690) 2.290 6.300 ( 13.212 -7.014 -1.243) 15.010 7.194 ( -0.428 5.996 3.636) 7.025 7.268 ( -2.041 -0.746 1.080) 2.426 7.760 ( -4.056 10.076 1.870) 11.021 10.138 ( -4.497 -4.006 -0.246) 6.028 10.800 ( -0.548 2.641 5.896) 6.484 11.478 ( 7.655 2.089 0.482) 7.949 11.821 ( 0.113 1.870 0.418) 1.919 11.965 ( 2.269 -0.705 -4.338) 4.946 12.174 ( -4.413 -8.920 1.181) 10.022 17.967 ( 5.740 1.624 1.586) 6.172 18.341 ( -3.582 -7.814 -1.074) 8.663 18.490 ( -0.885 1.120 -3.438) 3.722 18.773 ( -1.432 0.209 0.464) 1.519 21.131 ( 0.082 0.629 0.981) 1.168 21.209 ( -0.134 -2.951 1.125) 3.161 28.039 ( 0.392 1.146 0.555) 1.333 28.225 ( -0.428 -0.894 -1.323) 1.653 36.379 ( 2.031 1.628 0.056) 2.604 37.302 ( 5.008 5.379 -1.779) 7.562 37.694 ( -6.863 4.915 1.550) 8.583 40.165 ( 0.147 4.004 -8.852) 9.716 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 16.486 -7.951 3.320) 18.602 2.614 ( 2.104 7.492 4.945) 9.220 3.396 ( 6.032 -0.644 0.574) 6.094 3.569 ( 8.931 -3.349 -4.307) 10.466 4.494 ( 2.212 9.050 -4.523) 10.356 4.824 ( 0.012 -5.694 -1.629) 5.922 5.534 ( -16.822 9.532 0.891) 19.356 6.029 ( 0.855 6.924 -0.936) 7.039 6.417 ( 12.335 -13.237 0.171) 18.094 7.259 ( -0.592 0.916 3.306) 3.482 7.296 ( 6.275 2.150 1.517) 6.804 7.741 ( -9.538 9.082 -1.222) 13.226 10.111 ( 2.622 1.166 0.651) 2.943 10.805 ( -4.307 1.243 5.165) 6.839 11.475 ( -7.489 -7.223 1.791) 10.557 11.807 ( -2.105 0.421 -1.158) 2.439 12.007 ( 0.067 3.267 -0.433) 3.296 12.072 ( 3.899 -2.801 -3.405) 5.885 18.062 ( 2.638 -3.596 -2.254) 4.997 18.252 ( 2.208 -0.847 1.073) 2.597 18.460 ( -2.679 0.648 -0.528) 2.806 18.741 ( -3.328 1.224 0.734) 3.621 21.142 ( -0.201 0.794 0.484) 0.951 21.184 ( -0.367 -1.847 0.454) 1.937 28.061 ( 0.707 0.807 0.079) 1.076 28.207 ( -0.195 -0.515 -0.522) 0.759 36.496 ( 10.864 -0.194 -1.604) 10.983 37.370 ( 1.358 -1.607 -0.375) 2.137 37.704 ( -0.175 7.629 1.972) 7.882 40.116 ( -5.043 1.651 -4.315) 6.839 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 18.276 -0.355 13.803) 22.905 2.774 ( 6.387 8.696 -4.881) 11.842 3.405 ( -0.885 -4.273 3.502) 5.595 3.771 ( 22.305 -8.582 -2.098) 23.991 4.646 ( 1.731 15.147 -5.416) 16.179 4.734 ( 0.033 -7.817 -3.580) 8.598 5.363 ( -10.065 5.006 1.649) 11.361 5.980 ( -8.423 -5.975 0.518) 10.340 6.524 ( 13.936 -7.015 0.206) 15.603 7.261 ( -0.794 -2.535 2.325) 3.530 7.443 ( 5.488 1.528 1.783) 5.970 7.622 ( -11.355 8.503 -3.619) 14.640 10.250 ( 8.882 6.496 0.814) 11.034 10.735 ( -6.059 -1.629 3.045) 6.974 11.189 ( -16.202 -5.518 2.013) 17.234 11.812 ( 1.074 1.566 0.972) 2.133 11.983 ( -0.842 -2.464 -2.689) 3.743 12.133 ( 2.224 0.676 -3.514) 4.213 18.011 ( 1.095 -4.637 -2.638) 5.446 18.330 ( 0.661 1.866 -1.003) 2.219 18.434 ( 0.174 0.522 3.178) 3.225 18.706 ( -3.137 2.571 0.989) 4.175 21.141 ( -0.375 -0.319 0.148) 0.514 21.170 ( -0.522 0.346 -0.163) 0.648 28.079 ( 1.328 -0.114 -0.495) 1.421 28.201 ( -0.544 0.152 0.407) 0.697 36.707 ( 15.873 -1.023 -2.686) 16.131 37.313 ( -2.364 -8.073 0.360) 8.420 37.840 ( 4.169 9.489 2.489) 10.659 40.001 ( -7.125 -0.696 -0.297) 7.165 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 7.283 4.173 12.027) 14.666 2.917 ( 5.166 7.727 -8.821) 12.814 3.411 ( 7.012 -7.676 3.582) 10.997 3.953 ( 5.042 -9.279 -1.825) 10.717 4.630 ( 2.114 -2.052 -4.836) 5.663 4.783 ( -1.098 5.363 -0.669) 5.515 5.405 ( 10.149 4.507 0.294) 11.108 5.693 ( -10.282 -16.426 4.482) 19.890 6.741 ( 12.933 1.227 0.684) 13.010 7.162 ( -8.041 -3.879 -0.412) 8.937 7.403 ( -8.432 3.184 -2.269) 9.294 7.622 ( 2.351 2.514 0.205) 3.448 10.505 ( 8.471 4.762 0.722) 9.745 10.622 ( -3.029 0.754 0.599) 3.178 10.915 ( -13.740 0.841 0.672) 13.782 11.840 ( -3.570 3.140 -0.476) 4.779 11.924 ( 1.914 -5.059 -0.891) 5.482 12.114 ( -0.041 -2.793 -2.923) 4.043 18.014 ( 3.193 -1.351 -0.739) 3.545 18.293 ( -3.236 -0.364 0.246) 3.266 18.476 ( 0.507 1.132 1.072) 1.640 18.708 ( -0.553 3.533 0.974) 3.706 21.130 ( -0.061 -0.763 -0.172) 0.784 21.165 ( -1.023 1.404 -0.419) 1.787 28.104 ( 2.410 -0.588 -0.559) 2.543 28.186 ( -1.818 0.088 0.760) 1.972 36.965 ( 15.185 0.057 -1.914) 15.306 37.155 ( -2.889 -13.018 0.849) 13.362 38.004 ( 1.595 9.446 1.387) 9.679 39.895 ( -3.373 -1.915 2.502) 4.615 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -1.547 6.341 9.559) 11.574 3.026 ( 4.535 7.476 -8.949) 12.512 3.443 ( 3.468 -14.150 -3.935) 15.091 3.821 ( -1.794 -4.786 -0.666) 5.154 4.659 ( 1.127 -14.476 8.281) 16.715 4.686 ( -9.737 5.501 -3.053) 11.592 5.517 ( 1.488 -3.931 5.431) 6.867 5.706 ( 18.879 -0.787 -1.770) 18.978 6.770 ( -10.788 -6.086 -0.980) 12.425 7.109 ( 7.213 0.175 -4.288) 8.393 7.303 ( -6.793 7.422 0.876) 10.099 7.648 ( -0.301 -1.208 1.256) 1.768 10.407 ( -4.842 -10.380 0.301) 11.458 10.672 ( -9.206 1.547 -3.176) 9.860 10.903 ( 5.796 16.729 -1.987) 17.816 11.764 ( -2.240 0.031 -2.213) 3.149 11.960 ( 3.984 -3.593 3.272) 6.284 12.086 ( 0.628 -0.810 -0.579) 1.177 18.051 ( 1.162 -0.962 1.358) 2.030 18.248 ( -0.998 -1.104 0.311) 1.521 18.481 ( -0.806 0.943 -0.173) 1.253 18.761 ( 1.700 4.732 0.007) 5.028 21.125 ( 0.327 -0.576 -0.259) 0.711 21.157 ( -1.358 1.384 -0.452) 1.991 28.140 ( 1.777 -0.602 -0.070) 1.878 28.150 ( -1.608 -0.472 0.338) 1.709 36.899 ( -6.708 -13.952 2.014) 15.611 37.273 ( 15.596 0.663 -1.093) 15.648 38.050 ( -6.401 7.124 0.243) 9.581 39.905 ( 4.731 -0.987 2.783) 5.577 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -10.122 -0.807 8.478) 13.228 3.056 ( -4.070 -1.308 -15.205) 15.794 3.309 ( 4.695 0.737 -1.205) 4.903 3.896 ( 8.204 -1.315 1.306) 8.411 4.324 ( -19.203 -9.302 9.307) 23.279 4.757 ( 8.245 -5.426 4.412) 10.812 5.644 ( 6.082 8.127 1.123) 10.213 5.890 ( 3.973 -2.203 -4.957) 6.724 6.509 ( -6.358 -10.076 2.314) 12.137 7.034 ( -5.044 -6.964 -7.299) 11.279 7.371 ( -2.914 6.926 -0.693) 7.546 7.679 ( 3.973 4.141 4.735) 7.440 10.225 ( -3.186 -11.335 -1.801) 11.911 10.508 ( -7.415 0.122 -4.368) 8.607 11.111 ( 1.277 14.576 -3.235) 14.985 11.790 ( 3.357 3.070 -1.103) 4.680 11.984 ( 2.271 -5.304 3.595) 6.798 12.136 ( 3.168 3.059 2.483) 5.055 18.021 ( -2.628 -4.090 2.710) 5.566 18.251 ( 2.144 -0.321 -1.068) 2.417 18.480 ( 0.123 1.019 -0.784) 1.291 18.851 ( 2.653 5.507 -0.235) 6.117 21.123 ( -0.611 0.304 -0.018) 0.683 21.148 ( -0.110 0.336 -0.333) 0.486 28.099 ( -2.722 -0.498 0.854) 2.896 28.181 ( 2.605 -0.817 -0.816) 2.849 36.662 ( -6.370 -12.868 2.330) 14.546 37.502 ( 10.059 1.100 -0.816) 10.152 37.961 ( -10.696 6.260 1.503) 12.484 40.033 ( 8.777 0.013 -0.148) 8.779 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -16.148 -5.024 6.415) 18.087 2.895 ( 0.058 -4.566 -9.982) 10.977 3.528 ( 6.623 16.543 -3.614) 18.182 3.850 ( -18.667 -1.277 8.894) 20.717 4.125 ( 3.513 -5.806 1.844) 7.032 4.864 ( 8.452 -7.257 3.632) 11.717 5.750 ( -14.798 4.432 -5.886) 16.531 5.828 ( 5.443 7.758 -1.383) 9.577 6.439 ( 6.905 -12.985 5.739) 15.787 6.837 ( -7.363 -3.014 -4.494) 9.138 7.304 ( -4.276 -0.260 -2.429) 4.924 7.848 ( 3.282 7.252 4.936) 9.366 10.085 ( 0.895 -10.176 -2.759) 10.582 10.404 ( -2.911 0.200 -2.355) 3.749 11.215 ( -0.870 10.037 -2.311) 10.337 11.861 ( 1.525 2.776 -2.475) 4.019 11.986 ( 1.069 -3.558 3.979) 5.444 12.237 ( 2.702 2.630 2.425) 4.483 17.949 ( -1.522 -3.886 2.157) 4.698 18.286 ( 3.088 -1.116 -1.290) 3.528 18.499 ( 1.800 0.503 -1.330) 2.294 18.931 ( 0.739 4.054 0.089) 4.121 21.108 ( -1.794 0.943 0.439) 2.074 21.159 ( 1.618 -0.710 0.043) 1.767 28.064 ( -1.365 -0.016 0.885) 1.626 28.201 ( 1.335 -0.957 -1.296) 2.092 36.481 ( -4.037 -7.555 1.805) 8.754 37.586 ( 0.730 -1.762 -1.991) 2.757 37.891 ( -7.360 9.196 4.905) 12.759 40.152 ( 6.275 -0.738 -5.118) 8.131 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 4.771 15.223 4.751) 16.646 2.820 ( 4.754 1.762 2.510) 5.658 3.502 ( -12.890 -15.103 8.878) 21.750 3.840 ( -11.922 9.076 -7.603) 16.802 4.210 ( 10.424 14.360 -13.319) 22.187 4.771 ( 0.558 -5.230 0.111) 5.260 5.708 ( -13.432 7.895 1.332) 15.637 5.849 ( -0.719 -8.138 2.313) 8.490 6.414 ( 9.805 1.889 -2.319) 10.251 6.850 ( 2.276 4.258 6.666) 8.231 7.359 ( 4.912 5.006 -0.066) 7.014 7.863 ( -5.167 -7.590 -2.624) 9.549 10.041 ( 5.235 4.810 1.850) 7.346 10.449 ( 4.671 1.720 3.277) 5.959 11.290 ( 0.230 -5.281 1.934) 5.628 11.815 ( -6.242 -0.243 -1.235) 6.368 11.963 ( -0.008 -1.009 0.078) 1.012 12.223 ( -3.494 -2.696 -2.488) 5.066 17.971 ( 3.925 2.878 -1.244) 5.024 18.256 ( -0.420 -1.591 0.243) 1.664 18.505 ( 1.637 -1.421 -0.415) 2.207 18.928 ( -3.283 -2.626 0.357) 4.220 21.114 ( -1.226 0.687 0.579) 1.520 21.164 ( 1.923 -1.368 0.417) 2.396 28.092 ( 1.672 0.953 0.109) 1.927 28.166 ( -1.379 -0.079 -0.551) 1.487 36.481 ( 3.607 7.506 -1.621) 8.484 37.491 ( -8.465 -0.047 1.368) 8.575 38.044 ( 3.556 -0.008 0.413) 3.580 40.056 ( -4.476 -0.658 -4.670) 6.502 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 2.616 10.540 -3.251) 11.336 2.963 ( 2.783 5.157 13.899) 15.084 3.216 ( -9.252 -7.916 5.695) 13.442 3.713 ( -6.998 9.152 -7.667) 13.839 4.354 ( -9.362 24.170 -10.324) 27.900 4.834 ( 16.415 -9.431 -0.483) 18.937 5.494 ( -17.205 7.230 -2.906) 18.888 5.737 ( -4.584 -8.765 0.855) 9.928 6.641 ( 10.507 6.307 0.841) 12.283 6.959 ( -0.153 4.889 7.787) 9.195 7.479 ( 3.419 1.126 -0.835) 3.695 7.662 ( -5.376 -6.588 -3.011) 9.021 10.224 ( 7.561 7.407 1.106) 10.642 10.619 ( 10.233 1.877 5.760) 11.892 11.194 ( -3.823 -13.738 2.112) 14.415 11.696 ( -6.419 4.518 -0.508) 7.866 11.956 ( 0.567 -1.282 -0.099) 1.405 12.122 ( -3.062 -2.747 -2.339) 4.732 18.054 ( 2.676 1.227 -2.509) 3.868 18.239 ( 0.470 -0.564 0.237) 0.771 18.519 ( 2.611 -2.686 -0.378) 3.765 18.837 ( -3.474 -3.254 0.358) 4.773 21.107 ( -0.736 0.635 0.911) 1.333 21.184 ( 1.941 -1.957 0.794) 2.869 28.119 ( -2.219 1.179 0.700) 2.608 28.152 ( 2.472 0.026 -1.434) 2.858 36.655 ( 6.125 12.788 -2.682) 14.430 37.276 ( -16.620 -1.023 1.316) 16.704 38.121 ( 3.421 -0.171 1.987) 3.960 39.942 ( -3.563 0.463 -8.399) 9.136 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -5.222 -1.802 -12.514) 13.679 2.959 ( -6.820 -8.498 15.114) 18.632 3.210 ( -2.504 12.037 1.626) 12.401 3.718 ( -6.305 11.316 -0.517) 12.964 4.353 ( -10.413 21.645 -0.078) 24.020 4.992 ( 9.576 -10.310 -2.884) 14.364 5.393 ( -1.641 12.929 -3.505) 13.496 5.562 ( -2.331 -7.241 -2.784) 8.100 6.737 ( -9.835 3.295 0.417) 10.381 7.051 ( 5.172 4.496 4.136) 8.005 7.469 ( 2.428 -4.078 -0.426) 4.765 7.618 ( -0.617 2.379 1.211) 2.740 10.422 ( 6.463 7.156 0.106) 9.643 10.797 ( 0.874 -7.506 1.207) 7.653 10.957 ( -0.055 -7.810 1.895) 8.037 11.744 ( 2.135 8.048 3.158) 8.906 11.946 ( 0.621 -3.854 -0.674) 3.962 12.069 ( 0.387 -0.396 0.354) 0.657 18.023 ( -3.576 -2.071 -1.071) 4.269 18.285 ( 3.885 1.454 -1.130) 4.300 18.530 ( 2.125 -3.605 -0.400) 4.204 18.772 ( -0.935 -2.214 -0.564) 2.468 21.111 ( -0.121 0.605 0.977) 1.155 21.196 ( 1.487 -2.375 0.975) 2.967 28.083 ( -2.674 0.821 0.330) 2.816 28.197 ( 2.525 0.143 -1.116) 2.764 36.887 ( 6.613 13.727 -2.703) 15.474 36.963 ( -19.335 0.540 1.263) 19.384 38.123 ( -3.645 -2.569 2.231) 4.987 39.906 ( 3.345 2.813 -9.609) 10.557 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -13.737 -7.057 -18.938) 24.437 2.822 ( -8.999 -5.518 12.498) 16.360 3.292 ( 0.714 9.325 -1.121) 9.419 3.571 ( -20.136 9.895 0.157) 22.436 4.478 ( 0.077 14.182 6.454) 15.581 4.934 ( -0.061 -15.737 -0.814) 15.759 5.433 ( 6.011 2.423 -2.671) 7.010 5.742 ( 13.049 14.339 -3.483) 19.698 6.486 ( -17.197 -1.012 -0.454) 17.233 7.188 ( 2.174 4.942 1.104) 5.510 7.460 ( -4.673 1.317 0.412) 4.873 7.681 ( 6.763 -0.790 3.808) 7.802 10.420 ( -10.056 -8.850 -0.951) 13.429 10.684 ( 4.838 2.623 0.352) 5.514 11.126 ( 12.162 2.917 -0.065) 12.507 11.842 ( -1.352 3.805 0.608) 4.083 11.910 ( 1.216 -2.645 0.675) 2.989 12.131 ( 4.918 -1.899 3.288) 6.214 17.944 ( -3.327 0.312 0.921) 3.466 18.354 ( 3.399 -0.479 -0.480) 3.466 18.502 ( -0.439 -3.703 -2.375) 4.421 18.755 ( 1.305 -1.409 -0.992) 2.161 21.123 ( 0.252 0.724 0.750) 1.072 21.197 ( 0.843 -2.493 0.925) 2.789 28.057 ( -1.637 1.064 0.676) 2.066 28.220 ( 1.085 -0.544 -1.289) 1.770 36.662 ( -16.618 1.095 2.050) 16.780 37.120 ( 5.766 12.751 -2.714) 14.254 37.986 ( -8.436 -4.087 1.018) 9.429 39.996 ( 7.643 3.419 -7.752) 11.410 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -20.376 -7.891 -16.506) 27.384 2.699 ( -6.236 -1.806 6.275) 9.029 3.329 ( -8.126 4.646 1.685) 9.511 3.454 ( 1.035 6.765 -0.978) 6.914 4.571 ( -5.338 5.200 -1.486) 7.598 4.782 ( 1.509 -10.106 4.849) 11.311 5.653 ( 15.884 1.528 -1.639) 16.041 6.049 ( 8.125 10.895 -1.169) 13.641 6.196 ( -16.325 0.083 0.507) 16.334 7.230 ( -1.150 2.369 -0.376) 2.661 7.364 ( -5.562 -0.284 0.327) 5.579 7.815 ( 5.793 0.074 2.923) 6.489 10.182 ( -6.737 -5.706 -0.656) 8.853 10.812 ( 4.265 2.865 0.755) 5.193 11.366 ( 10.595 5.596 -1.429) 12.067 11.820 ( 0.027 -1.311 -0.160) 1.320 11.939 ( 0.342 3.067 1.187) 3.306 12.144 ( -0.837 -6.994 1.864) 7.286 17.952 ( 0.910 3.706 2.361) 4.487 18.327 ( -3.269 -5.656 -0.744) 6.575 18.472 ( 1.569 0.200 -2.886) 3.291 18.768 ( 1.616 -0.865 -0.356) 1.867 21.139 ( 0.304 0.954 0.333) 1.056 21.187 ( 0.250 -2.086 0.625) 2.192 28.054 ( -0.478 1.017 0.786) 1.372 28.214 ( -0.035 -0.830 -1.104) 1.382 36.463 ( -9.286 1.444 1.600) 9.532 37.286 ( 3.180 7.451 -1.782) 8.295 37.821 ( -6.160 -3.038 0.263) 6.874 40.112 ( 5.491 2.034 -4.223) 7.220 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 0.000 0.000 0.000) 0.000 2.652 ( -0.000 0.000 0.000) 0.000 3.279 ( -0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 -0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 5.972 ( -0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 7.316 ( -0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 10.096 ( -0.000 0.000 0.000) 0.000 10.865 ( 0.000 0.000 0.000) 0.000 11.496 ( -0.000 0.000 0.000) 0.000 11.829 ( -0.000 0.000 0.000) 0.000 12.013 ( -0.000 -0.000 -0.000) 0.000 12.024 ( 0.000 0.000 0.000) 0.000 18.015 ( 0.000 0.000 0.000) 0.000 18.233 ( -0.000 -0.000 0.000) 0.000 18.485 ( -0.000 0.000 0.000) 0.000 18.778 ( -0.000 0.000 0.000) 0.000 21.150 ( -0.000 -0.000 0.000) 0.000 21.178 ( 0.000 0.000 0.000) 0.000 28.060 ( -0.000 0.000 0.000) 0.000 28.204 ( -0.000 0.000 0.000) 0.000 36.396 ( 0.000 0.000 0.000) 0.000 37.345 ( 0.000 0.000 0.000) 0.000 37.751 ( -0.000 0.000 0.000) 0.000 40.159 ( 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: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 0.000 -0.000 29.905) 29.905 0.448 ( 0.000 -0.000 29.905) 29.905 0.763 ( 0.000 -0.000 50.884) 50.884 3.495 ( -0.000 0.000 -3.235) 3.235 3.495 ( -0.000 0.000 -3.235) 3.235 5.487 ( -0.000 0.000 -3.082) 3.082 5.487 ( -0.000 0.000 -3.082) 3.082 5.874 ( -0.000 0.000 -2.920) 2.920 6.265 ( 0.000 -0.000 3.329) 3.329 6.265 ( 0.000 -0.000 3.329) 3.329 6.906 ( -0.000 0.000 -3.319) 3.319 7.248 ( 0.000 -0.000 0.095) 0.095 10.733 ( -0.000 0.000 -3.952) 3.952 10.733 ( -0.000 0.000 -3.952) 3.952 11.028 ( 0.000 -0.000 3.007) 3.007 11.028 ( 0.000 -0.000 3.007) 3.007 12.479 ( -0.000 0.000 -0.022) 0.022 12.609 ( -0.000 0.000 -0.593) 0.593 18.407 ( -0.000 0.000 -0.817) 0.817 18.407 ( -0.000 0.000 -0.817) 0.817 18.740 ( 0.000 -0.000 1.023) 1.023 18.740 ( 0.000 -0.000 1.023) 1.023 21.341 ( 0.000 -0.000 1.465) 1.465 22.254 ( -0.000 0.000 -1.157) 1.157 28.226 ( 0.000 -0.000 0.095) 0.095 28.274 ( -0.000 0.000 -0.142) 0.142 36.469 ( -0.000 0.000 -3.427) 3.427 36.469 ( -0.000 0.000 -3.427) 3.427 36.748 ( 0.000 -0.000 3.645) 3.645 36.748 ( 0.000 -0.000 3.645) 3.645 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 29.081 -15.967 19.674) 38.570 0.828 ( 19.045 6.014 21.573) 29.399 1.753 ( 40.826 41.365 26.088) 63.706 3.382 ( -7.644 4.070 -8.045) 11.820 3.695 ( 11.719 2.219 -7.044) 13.852 4.700 ( -31.197 -21.286 24.900) 45.237 5.470 ( 1.272 4.408 -7.376) 8.687 5.821 ( 16.123 4.988 4.622) 17.498 6.249 ( -0.631 -6.352 3.496) 7.278 6.771 ( 0.428 4.363 -2.840) 5.223 6.928 ( 2.436 5.746 -10.607) 12.307 7.282 ( 5.611 4.656 1.644) 7.474 10.721 ( 8.728 -20.496 -0.174) 22.277 10.852 ( -0.720 -5.964 -5.303) 8.013 11.069 ( 9.622 20.551 -12.166) 25.747 11.186 ( -1.191 9.488 7.772) 12.322 12.437 ( -4.207 -2.077 -1.173) 4.836 12.553 ( -8.922 -3.191 -4.134) 10.338 18.366 ( -2.751 -2.426 -0.296) 3.680 18.409 ( -0.587 3.817 -1.595) 4.178 18.770 ( 2.784 -2.246 1.025) 3.721 18.795 ( 1.780 1.291 -4.526) 5.032 21.309 ( -5.915 -3.325 4.665) 8.234 21.504 ( -23.882 -13.625 27.768) 39.078 28.194 ( -2.258 -1.276 -0.391) 2.623 28.235 ( -0.797 -0.736 0.374) 1.148 36.471 ( -2.139 0.185 -0.709) 2.261 36.599 ( 3.899 13.376 0.034) 13.932 36.831 ( 13.324 -4.198 1.777) 14.082 38.994 ( 88.026 50.473 -103.084) 144.646 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 16.408 0.675 24.901) 29.829 1.473 ( 38.635 2.589 -0.032) 38.721 2.841 ( 28.848 35.062 8.422) 46.179 3.292 ( -0.334 4.392 -7.628) 8.808 3.804 ( 1.198 1.536 -2.543) 3.203 4.395 ( -3.926 -6.028 19.211) 20.514 5.485 ( 0.169 1.791 -11.062) 11.207 6.116 ( 7.142 2.888 -4.603) 8.975 6.238 ( 8.692 -5.381 5.182) 11.461 6.778 ( 2.586 -1.688 -1.002) 3.246 6.887 ( -6.459 5.766 2.232) 8.941 7.519 ( 9.790 9.913 2.201) 14.105 10.573 ( -5.427 -12.942 5.594) 15.108 10.848 ( 13.507 -13.663 -11.780) 22.536 11.223 ( -11.682 8.393 12.439) 19.017 11.350 ( 9.333 15.133 -9.291) 20.061 12.217 ( -11.264 -5.843 -5.755) 13.933 12.387 ( -5.912 -1.868 0.590) 6.228 18.269 ( -4.522 -4.385 0.978) 6.374 18.440 ( -1.625 6.810 -1.898) 7.254 18.767 ( -1.730 -1.429 -1.390) 2.639 18.792 ( 3.145 -4.084 -2.398) 5.685 21.162 ( -7.317 -3.774 10.245) 13.143 21.364 ( -3.871 -2.349 7.141) 8.455 28.137 ( -2.374 -1.390 -0.884) 2.889 28.221 ( -0.331 -0.460 -0.562) 0.798 36.431 ( -2.248 0.370 0.195) 2.287 36.846 ( 5.141 19.365 1.024) 20.062 37.090 ( 20.954 -5.571 2.985) 21.887 39.750 ( 28.345 16.381 -61.212) 69.417 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 17.242 7.495 20.172) 27.575 2.111 ( 35.742 1.537 -5.805) 36.243 3.265 ( 9.431 4.241 -6.758) 12.353 3.524 ( 3.710 20.215 1.190) 20.587 3.742 ( -5.370 3.478 -5.164) 8.222 4.650 ( 17.527 8.879 19.136) 27.427 5.361 ( -5.005 -6.090 -11.456) 13.906 6.219 ( 3.955 5.539 -0.198) 6.809 6.268 ( 1.323 -8.297 -4.713) 9.634 6.861 ( 2.668 -0.096 5.802) 6.386 6.932 ( 5.695 5.819 2.924) 8.651 7.771 ( 7.404 7.593 3.463) 11.156 10.390 ( -6.609 -8.087 3.713) 11.084 10.798 ( -2.119 -14.183 -7.793) 16.321 11.123 ( -5.714 1.468 8.355) 10.228 11.576 ( 6.501 11.818 -7.698) 15.530 12.058 ( -1.336 -1.505 0.041) 2.013 12.285 ( -4.895 -0.075 -0.202) 4.899 18.151 ( -4.940 -4.393 1.480) 6.774 18.440 ( -4.722 5.032 -1.578) 7.079 18.692 ( -2.709 -3.924 -2.787) 5.523 18.809 ( 3.967 -1.963 -1.285) 4.609 21.099 ( -2.621 -1.079 5.514) 6.200 21.312 ( -3.179 -2.017 3.856) 5.389 28.089 ( -1.249 -1.050 -0.448) 1.692 28.206 ( -0.594 -0.209 -1.421) 1.554 36.410 ( -1.234 1.099 0.109) 1.656 37.123 ( 4.451 18.757 1.028) 19.305 37.432 ( 22.853 -5.497 4.839) 23.997 39.920 ( 10.938 7.368 -37.925) 40.152 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 15.143 7.677 16.471) 23.655 2.603 ( 26.005 -2.360 -11.880) 28.688 3.398 ( 4.198 0.087 -3.559) 5.504 3.599 ( -2.207 9.926 6.142) 11.879 3.841 ( 6.837 13.862 -8.962) 17.867 5.114 ( -0.356 2.241 -4.154) 4.733 5.160 ( 9.025 3.398 6.065) 11.392 6.097 ( -5.667 -7.247 -0.240) 9.202 6.401 ( 6.444 5.989 -2.646) 9.187 6.878 ( -3.549 -1.180 9.460) 10.173 7.122 ( 9.972 0.179 -1.839) 10.141 7.923 ( 2.334 3.509 2.510) 4.905 10.218 ( -9.358 -3.445 0.912) 10.014 10.529 ( -7.248 -9.973 1.094) 12.377 11.176 ( 7.128 -3.280 1.876) 8.068 11.718 ( 3.297 7.719 -5.598) 10.089 12.066 ( -1.247 0.944 4.638) 4.894 12.235 ( -1.445 2.368 -1.904) 3.365 18.042 ( -4.411 -3.007 1.585) 5.569 18.372 ( -5.369 1.025 -1.185) 5.593 18.586 ( -2.654 -4.421 -3.279) 6.111 18.872 ( 4.115 1.019 -0.815) 4.317 21.092 ( -0.391 0.085 2.762) 2.791 21.255 ( -3.056 -1.908 2.177) 4.210 28.073 ( 0.279 -0.700 0.557) 0.937 28.183 ( -0.960 0.249 -2.118) 2.339 36.408 ( -0.604 1.485 -0.053) 1.604 37.355 ( 3.789 13.154 1.101) 13.733 37.759 ( 17.853 -4.179 3.751) 18.716 39.955 ( 5.366 5.018 -22.714) 23.873 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 8.580 3.486 10.754) 14.192 2.736 ( 3.989 -6.542 -11.205) 13.574 3.513 ( 14.307 -0.181 -11.286) 18.224 3.765 ( 3.840 11.651 8.544) 14.949 4.018 ( 2.976 6.954 -4.877) 9.000 4.917 ( -9.543 -0.076 -0.982) 9.594 5.537 ( 15.034 8.470 2.886) 17.495 5.962 ( -3.361 -4.663 0.933) 5.824 6.443 ( -5.527 0.438 -2.780) 6.202 6.844 ( -2.042 -2.794 8.355) 9.044 7.233 ( 5.962 -2.159 -1.965) 6.638 7.960 ( -1.269 2.217 0.342) 2.577 10.043 ( -6.702 -2.540 0.982) 7.234 10.428 ( -0.007 -4.368 3.655) 5.695 11.271 ( 6.172 -2.999 1.196) 6.965 11.799 ( 2.758 3.918 -2.923) 5.613 12.045 ( -4.905 1.256 3.616) 6.222 12.248 ( 0.384 2.806 -2.271) 3.630 17.965 ( -3.224 -1.073 1.430) 3.687 18.291 ( -2.996 -0.765 -0.942) 3.232 18.506 ( -0.764 -2.484 -2.152) 3.374 18.938 ( 2.539 1.116 -0.969) 2.938 21.108 ( 0.663 0.550 1.191) 1.470 21.197 ( -2.751 -1.657 1.048) 3.378 28.080 ( 0.299 -0.697 1.105) 1.340 28.166 ( -0.140 0.826 -1.867) 2.047 36.413 ( -0.535 1.445 -0.195) 1.553 37.509 ( 2.461 6.148 1.330) 6.755 37.956 ( 8.337 -3.047 -1.052) 8.939 40.005 ( 5.102 4.457 -9.413) 11.598 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -8.706 -4.420 -0.914) 9.806 2.744 ( 11.098 -3.068 -3.071) 11.916 3.579 ( 4.167 -9.667 -14.505) 17.922 3.910 ( -4.447 0.806 -5.517) 7.132 4.128 ( 1.774 17.858 13.606) 22.520 4.800 ( -3.189 0.158 -1.303) 3.448 5.806 ( 3.414 -0.860 5.590) 6.606 5.900 ( 0.296 -3.818 -0.072) 3.830 6.305 ( -2.883 3.927 -3.335) 5.904 6.821 ( -1.740 -4.679 5.023) 7.081 7.281 ( 2.116 -0.087 -0.301) 2.139 7.940 ( -2.901 1.398 -1.877) 3.727 9.982 ( 0.838 -1.093 2.042) 2.463 10.419 ( -0.543 -1.631 3.202) 3.635 11.321 ( 0.881 -1.046 1.854) 2.304 11.863 ( 3.082 0.657 -1.144) 3.353 11.980 ( -4.144 0.207 1.290) 4.345 12.264 ( -0.128 1.829 -2.036) 2.740 17.927 ( -1.841 0.971 0.611) 2.169 18.267 ( 1.246 -0.222 -0.132) 1.273 18.497 ( 1.613 0.344 -0.190) 1.660 18.959 ( 0.315 -0.699 -1.570) 1.747 21.124 ( -0.804 -0.468 0.071) 0.933 21.153 ( -0.346 -0.167 0.435) 0.581 28.070 ( -1.096 -0.097 -0.222) 1.122 28.184 ( 1.638 0.476 0.362) 1.744 36.413 ( -0.845 1.155 -0.399) 1.485 37.567 ( 0.535 -1.054 1.673) 2.048 37.964 ( -2.213 -1.516 -6.675) 7.193 40.126 ( 6.600 3.876 1.559) 7.811 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -14.408 -10.050 -4.429) 18.116 2.951 ( 13.518 1.164 -0.260) 13.571 3.318 ( -8.912 -17.494 -13.136) 23.622 3.786 ( -12.772 8.447 1.372) 15.374 4.228 ( -9.800 1.246 7.473) 12.387 4.936 ( 16.905 6.245 0.418) 18.026 5.556 ( -21.028 -13.386 3.719) 25.203 5.926 ( 4.250 0.093 -1.160) 4.406 6.453 ( 7.803 6.766 -2.636) 10.659 6.731 ( -4.596 -5.897 2.572) 7.907 7.291 ( -2.308 0.467 1.326) 2.702 7.866 ( -4.779 0.117 -5.042) 6.948 10.072 ( 8.759 -0.168 2.523) 9.117 10.413 ( -0.114 0.685 2.548) 2.641 11.297 ( -5.285 2.067 2.922) 6.383 11.892 ( 1.203 -2.297 0.415) 2.625 11.950 ( 0.398 -0.066 0.218) 0.459 12.259 ( -0.616 0.603 -1.577) 1.797 17.931 ( 0.106 3.295 -0.654) 3.361 18.324 ( 4.713 0.378 1.095) 4.853 18.559 ( 3.321 2.636 1.263) 4.424 18.921 ( -1.512 -2.593 -2.304) 3.784 21.079 ( -2.178 -1.315 -0.415) 2.578 21.179 ( 1.669 0.992 -0.163) 1.949 28.051 ( -0.811 0.636 -0.791) 1.299 28.219 ( 1.571 -0.146 1.523) 2.193 36.403 ( -1.204 0.892 -0.756) 1.678 37.523 ( -1.632 -8.058 2.116) 8.489 37.803 ( -10.745 0.371 -9.711) 14.488 40.306 ( 7.389 3.356 8.013) 11.405 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -15.624 -14.730 -1.934) 21.560 2.831 ( -25.171 -9.517 0.910) 26.925 3.228 ( 17.554 -1.880 -8.308) 19.512 3.646 ( -12.873 5.507 3.833) 14.517 4.073 ( -5.513 -6.090 3.738) 9.026 4.923 ( -32.650 -19.188 -2.520) 37.954 5.362 ( 16.511 8.244 6.890) 19.699 6.023 ( 6.766 2.690 -4.916) 8.785 6.516 ( -4.394 -2.071 4.245) 6.451 6.629 ( -0.962 -0.943 -5.200) 5.372 7.197 ( -8.279 -4.161 2.884) 9.704 7.734 ( -6.779 -0.081 -8.726) 11.050 10.233 ( 7.414 -1.035 2.262) 7.820 10.520 ( 11.615 2.032 -0.468) 11.800 11.236 ( -8.684 6.550 5.393) 12.141 11.838 ( -3.362 -4.335 -1.842) 5.787 12.013 ( 4.866 1.238 5.514) 7.458 12.253 ( 0.533 0.487 -0.954) 1.197 17.990 ( 2.316 5.567 -1.542) 6.223 18.423 ( 5.683 -0.713 1.863) 6.023 18.655 ( 3.358 3.320 1.233) 4.881 18.850 ( -1.715 -2.705 -2.695) 4.186 21.028 ( -2.044 -1.242 -0.600) 2.466 21.218 ( 1.888 1.103 -0.367) 2.217 28.053 ( 0.500 1.222 -0.753) 1.520 28.243 ( 0.693 -0.512 1.524) 1.751 36.385 ( -1.262 0.896 -1.330) 2.040 37.373 ( -4.785 -13.932 1.372) 14.795 37.543 ( -15.043 1.966 -8.485) 17.383 40.506 ( 7.139 3.179 9.592) 12.373 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -14.599 -19.172 5.138) 24.640 2.261 ( -31.294 -11.650 3.291) 33.554 3.388 ( -0.829 2.694 -2.522) 3.782 3.563 ( -1.385 -0.805 3.077) 3.469 3.952 ( -15.760 -17.944 11.201) 26.378 4.086 ( -23.389 -8.008 -15.865) 29.374 5.703 ( 9.950 3.693 10.139) 14.678 6.085 ( -0.143 1.151 -7.582) 7.670 6.438 ( -5.469 -1.303 4.696) 7.325 6.583 ( 2.367 -2.435 -7.913) 8.611 6.999 ( -8.913 -4.597 4.261) 10.897 7.556 ( -8.213 -0.761 -9.398) 12.504 10.342 ( 5.413 1.712 1.322) 5.829 10.746 ( 16.414 -5.621 -7.518) 18.909 11.193 ( -10.480 10.489 7.729) 16.721 11.691 ( -7.237 -5.284 -1.113) 9.029 12.199 ( 9.384 4.489 9.684) 14.212 12.292 ( 3.328 2.080 0.154) 3.927 18.098 ( 3.977 7.038 -1.681) 8.256 18.487 ( 2.818 -3.723 0.809) 4.739 18.731 ( 1.701 2.308 0.044) 2.867 18.814 ( 1.158 -0.215 -1.799) 2.150 20.983 ( -1.816 -1.054 0.172) 2.107 21.259 ( 1.815 1.043 -0.103) 2.096 28.085 ( 2.016 1.693 -0.632) 2.707 28.248 ( -0.122 -0.620 0.942) 1.135 36.369 ( -0.718 1.320 -2.126) 2.604 37.103 ( -11.242 -11.439 -2.879) 16.295 37.286 ( -11.899 -2.925 -1.820) 12.387 40.688 ( 6.042 2.929 4.982) 8.361 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -11.383 -22.360 16.786) 30.188 1.594 ( -33.764 -16.793 5.326) 38.084 2.700 ( -56.995 -27.169 -1.632) 63.160 3.477 ( -2.747 4.669 3.572) 6.489 3.757 ( 6.426 0.492 -9.226) 11.254 4.070 ( 6.626 0.154 6.653) 9.391 5.774 ( -6.881 -3.400 5.031) 9.177 6.089 ( 3.711 4.065 -1.215) 5.637 6.165 ( -16.909 -13.927 -1.130) 21.935 6.648 ( 6.602 1.364 -4.995) 8.390 6.982 ( 4.211 4.434 3.425) 7.009 7.355 ( -9.322 -1.765 -7.206) 11.914 10.474 ( 7.679 2.122 -0.213) 7.970 10.859 ( 12.195 -10.260 -9.803) 18.710 11.152 ( -10.746 10.464 6.770) 16.456 11.493 ( -9.535 -5.438 -0.473) 10.987 12.363 ( 4.185 2.650 -0.216) 4.958 12.515 ( 11.125 7.150 9.807) 16.464 18.233 ( 4.343 7.196 -1.303) 8.506 18.462 ( -0.119 -4.183 -1.218) 4.358 18.754 ( -0.087 0.183 -0.641) 0.672 18.855 ( 3.119 0.777 -1.560) 3.573 20.961 ( -0.729 -0.277 5.269) 5.327 21.297 ( 1.492 0.836 0.735) 1.862 28.142 ( 2.780 1.811 -0.646) 3.380 28.240 ( -0.429 -0.544 0.348) 0.775 36.371 ( 0.580 2.310 -2.990) 3.823 36.793 ( -12.071 -6.780 -3.533) 14.289 37.059 ( -9.317 -7.036 1.932) 11.834 40.769 ( 1.722 0.679 -16.439) 16.543 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -12.372 29.430 11.798) 34.035 1.188 ( -25.685 19.095 30.319) 44.086 1.755 ( 25.537 46.477 30.082) 60.968 3.400 ( 11.795 -0.571 -11.960) 16.808 3.597 ( -8.898 5.918 -3.215) 11.159 4.794 ( -1.670 -37.527 14.623) 40.310 5.601 ( 8.202 7.136 -2.670) 11.195 5.744 ( -10.304 14.761 1.822) 18.094 6.262 ( -6.264 -3.737 5.637) 9.218 6.679 ( 6.197 0.745 -5.274) 8.171 6.897 ( 2.997 7.552 -10.026) 12.905 7.236 ( 1.103 -0.603 2.576) 2.867 10.560 ( -14.944 -5.359 -5.524) 16.809 10.876 ( -3.599 -7.562 0.339) 8.382 11.066 ( 5.889 15.538 -6.534) 17.855 11.239 ( 7.733 10.440 3.848) 13.550 12.439 ( 0.313 -3.844 -0.655) 3.912 12.657 ( 1.622 3.121 -5.002) 6.115 18.326 ( 2.072 -5.055 -1.965) 5.806 18.410 ( 0.357 -0.129 -0.189) 0.424 18.736 ( -1.929 0.087 0.046) 1.932 18.815 ( -0.719 2.294 -1.374) 2.769 21.326 ( 0.043 -4.348 2.873) 5.212 21.633 ( 0.141 -30.780 23.540) 38.750 28.190 ( 0.023 -3.303 -0.193) 3.309 28.240 ( -0.251 -0.734 0.216) 0.805 36.354 ( 4.736 -3.423 -3.604) 6.865 36.530 ( 1.128 6.340 -2.126) 6.782 36.922 ( -5.337 9.111 4.004) 11.293 38.623 ( -0.242 106.285 -79.297) 132.607 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 2.377 34.732 6.426) 35.402 1.278 ( 1.369 12.144 27.746) 30.318 2.824 ( 27.180 43.278 17.326) 53.962 3.363 ( -6.884 1.447 -13.057) 14.831 3.665 ( 11.618 1.554 -2.067) 11.902 4.470 ( -6.134 -18.405 16.687) 25.590 5.568 ( -9.347 7.631 -9.779) 15.532 5.946 ( 10.484 9.096 -4.302) 14.531 6.200 ( -1.580 -1.539 5.963) 6.358 6.690 ( 3.023 -6.021 -1.477) 6.897 7.000 ( 1.466 5.838 -2.490) 6.514 7.393 ( 12.810 4.160 1.897) 13.601 10.379 ( 2.401 -10.276 -4.053) 11.304 10.724 ( -5.569 -5.180 0.472) 7.620 11.283 ( 8.596 10.475 -5.200) 14.514 11.453 ( 2.098 10.050 5.140) 11.482 12.350 ( -7.294 -4.431 -3.266) 9.138 12.511 ( -13.228 -1.277 -0.991) 13.326 18.319 ( -1.739 -1.060 -2.504) 3.227 18.417 ( 5.221 -2.155 0.227) 5.653 18.714 ( -0.749 -1.289 -0.969) 1.778 18.780 ( -2.499 -2.011 -1.242) 3.440 21.254 ( -4.128 -6.992 6.180) 10.204 21.450 ( -5.509 -9.679 13.060) 17.164 28.142 ( -1.270 -3.014 -0.886) 3.388 28.226 ( -0.732 -0.103 -0.240) 0.777 36.556 ( -5.450 8.482 -0.669) 10.105 36.576 ( 23.160 -4.825 -1.287) 23.692 37.011 ( 2.382 12.458 1.970) 12.836 39.300 ( 20.359 50.786 -61.922) 82.632 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 7.265 24.439 16.380) 30.304 1.689 ( 19.333 15.444 5.215) 25.288 3.189 ( -0.724 2.493 -9.505) 9.853 3.594 ( 12.419 23.068 1.565) 26.245 3.812 ( 1.309 3.074 -1.872) 3.830 4.542 ( 14.320 3.000 20.807) 25.436 5.376 ( -9.141 -1.688 -12.870) 15.876 6.080 ( 5.451 -7.720 -5.365) 10.867 6.250 ( 1.222 10.644 0.919) 10.753 6.745 ( 7.289 0.456 0.540) 7.323 7.055 ( -1.929 6.189 4.473) 7.876 7.664 ( 12.721 2.003 2.807) 13.180 10.327 ( 4.185 -12.168 0.300) 12.871 10.622 ( -0.984 -2.555 -4.542) 5.303 11.426 ( -6.779 4.241 3.276) 8.642 11.570 ( 0.935 11.704 0.219) 11.744 12.076 ( -8.824 -4.945 -3.312) 10.644 12.358 ( -4.664 -2.305 1.321) 5.367 18.230 ( -5.967 -0.378 0.131) 5.980 18.515 ( 3.467 2.223 -0.871) 4.209 18.663 ( 0.212 -5.273 -3.220) 6.182 18.696 ( -1.448 -4.968 -0.889) 5.251 21.161 ( -3.522 -3.646 5.612) 7.563 21.364 ( -3.437 -4.327 6.030) 8.179 28.092 ( -1.070 -1.966 -0.942) 2.428 28.212 ( -0.780 0.201 -0.868) 1.184 36.532 ( -6.660 9.315 -0.034) 11.451 36.958 ( 26.965 -5.799 0.559) 27.587 37.222 ( 4.990 14.224 2.223) 15.237 39.652 ( 11.797 23.152 -42.148) 49.514 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 8.519 21.469 16.544) 28.411 2.154 ( 20.043 9.162 -6.395) 22.947 3.242 ( 9.091 -0.346 -4.770) 10.273 3.762 ( -7.132 4.745 -4.284) 9.578 3.898 ( 4.911 15.302 0.405) 16.076 5.008 ( 17.067 6.649 9.205) 20.499 5.173 ( -5.393 1.920 -5.723) 8.095 5.991 ( 1.998 -14.837 -3.204) 15.310 6.415 ( 2.596 14.636 -1.966) 14.993 6.891 ( 6.521 0.322 2.949) 7.164 7.093 ( -2.667 5.325 3.373) 6.844 7.859 ( 8.149 -1.796 3.247) 8.954 10.280 ( 0.116 -6.518 3.450) 7.376 10.546 ( -3.784 -2.927 -7.150) 8.603 11.203 ( -13.965 -2.014 6.038) 15.347 11.706 ( 3.049 7.439 -3.633) 8.822 12.047 ( 4.985 -1.325 2.610) 5.780 12.288 ( -3.022 0.008 0.474) 3.059 18.132 ( -6.086 0.802 1.213) 6.257 18.471 ( -6.818 -1.171 -0.451) 6.933 18.566 ( -2.818 -4.247 -4.373) 6.716 18.739 ( 9.419 -3.753 -1.090) 10.198 21.120 ( -1.508 -1.107 3.296) 3.790 21.296 ( -3.036 -3.260 3.189) 5.478 28.066 ( 0.011 -0.717 -0.165) 0.736 28.194 ( -1.007 0.441 -1.538) 1.890 36.519 ( -5.777 9.368 0.315) 11.010 37.315 ( 19.136 -3.130 -2.562) 19.559 37.472 ( 9.190 9.674 5.357) 14.378 39.797 ( 7.083 11.763 -26.650) 29.979 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 3.543 15.479 0.059) 15.880 2.470 ( 13.276 3.652 -1.663) 13.869 3.343 ( 4.737 -3.151 -2.079) 6.057 3.726 ( 2.557 4.801 -6.183) 8.235 4.120 ( 3.084 15.265 3.258) 15.911 5.042 ( -3.416 2.810 -3.008) 5.349 5.410 ( 11.460 8.251 4.429) 14.799 5.870 ( 2.195 -14.479 -0.886) 14.671 6.549 ( -2.048 11.863 -4.418) 12.823 6.932 ( -4.201 -2.705 8.321) 9.706 7.138 ( 3.612 3.463 -1.247) 5.157 7.940 ( 3.585 -3.775 2.269) 5.679 10.199 ( -9.376 0.418 1.143) 9.454 10.412 ( -2.110 -2.599 0.693) 3.419 11.122 ( 4.395 -5.302 2.432) 7.304 11.775 ( 1.671 2.453 -1.878) 3.513 12.122 ( 0.906 -0.008 3.358) 3.478 12.259 ( -1.243 1.288 -0.605) 1.890 18.060 ( -5.357 2.724 2.003) 6.335 18.334 ( -5.136 -3.588 -1.309) 6.400 18.476 ( -1.113 -2.812 -3.178) 4.387 18.847 ( 6.905 -2.486 -1.398) 7.471 21.115 ( -0.163 0.010 1.637) 1.645 21.230 ( -2.783 -2.530 1.609) 4.091 28.075 ( 0.843 0.223 1.007) 1.332 28.172 ( -1.025 0.584 -2.025) 2.344 36.519 ( -5.310 9.273 0.518) 10.698 37.504 ( 6.352 1.884 -2.089) 6.947 37.738 ( 12.419 0.559 1.678) 12.544 39.894 ( 6.710 6.210 -13.428) 16.245 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 7.120 -3.922 -17.375) 19.182 2.577 ( -10.271 13.233 5.310) 17.573 3.365 ( 5.068 -6.726 -2.428) 8.765 3.839 ( 7.768 3.781 -6.860) 11.032 4.338 ( 2.964 15.479 7.307) 17.372 4.960 ( -11.857 2.908 1.214) 12.269 5.691 ( 11.795 3.268 1.992) 12.400 5.786 ( 3.969 -10.646 -0.240) 11.364 6.495 ( -11.235 7.806 -3.713) 14.176 6.859 ( -3.913 -3.512 6.964) 8.726 7.247 ( 4.261 5.011 -1.013) 6.655 7.940 ( 0.549 -4.888 0.683) 4.966 10.058 ( -7.569 2.905 1.209) 8.197 10.421 ( 1.092 -0.234 3.391) 3.571 11.198 ( 8.771 -5.782 1.108) 10.564 11.806 ( 2.191 -0.861 -1.030) 2.570 12.089 ( -5.777 -0.225 2.400) 6.260 12.258 ( 0.458 0.007 -1.035) 1.132 18.025 ( -4.698 4.900 2.596) 7.268 18.243 ( -0.715 -2.584 -1.495) 3.070 18.453 ( 2.143 -1.091 -1.597) 2.887 18.896 ( 3.421 -3.661 -2.078) 5.424 21.125 ( 0.351 0.250 0.525) 0.679 21.172 ( -2.214 -1.682 0.771) 2.885 28.093 ( -0.631 0.934 0.894) 1.439 28.163 ( 0.849 0.296 -1.057) 1.388 36.522 ( -5.478 9.172 0.676) 10.705 37.559 ( 0.463 -1.018 -0.012) 1.118 37.881 ( 5.876 -1.361 -5.232) 7.985 40.026 ( 8.525 2.954 -2.461) 9.351 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -17.195 -0.339 -5.447) 18.040 2.628 ( 9.456 1.865 -13.782) 16.817 3.309 ( -3.091 -6.888 0.399) 7.560 3.935 ( 0.807 4.324 -2.935) 5.288 4.578 ( -11.833 12.189 9.375) 19.403 4.752 ( 3.916 -0.928 -1.153) 4.187 5.694 ( -1.230 -10.973 -3.757) 11.664 5.829 ( -2.099 -3.593 5.485) 6.884 6.468 ( 0.801 11.939 -0.518) 11.977 6.786 ( -4.765 -3.091 4.068) 6.987 7.344 ( 0.371 6.270 -1.103) 6.377 7.871 ( -1.561 -6.551 -1.969) 7.016 10.033 ( -0.598 4.309 1.333) 4.549 10.443 ( -0.572 0.878 2.762) 2.954 11.292 ( 6.765 -3.783 1.991) 8.003 11.823 ( 2.750 -3.981 -0.286) 4.847 11.988 ( -5.460 -0.599 1.312) 5.647 12.254 ( 0.165 -1.192 -0.556) 1.325 18.023 ( -3.735 7.216 2.084) 8.388 18.249 ( 3.736 -1.111 -0.292) 3.908 18.507 ( 4.801 0.475 -0.317) 4.835 18.872 ( 0.691 -5.413 -3.161) 6.306 21.104 ( -2.190 -1.223 0.036) 2.509 21.162 ( 1.110 0.482 0.235) 1.233 28.079 ( -1.734 1.114 -0.582) 2.142 28.194 ( 2.068 0.032 0.994) 2.294 36.518 ( -6.035 9.292 0.748) 11.105 37.499 ( -3.341 -7.240 1.870) 8.190 37.863 ( -2.191 -0.127 -10.167) 10.401 40.209 ( 10.064 1.217 3.966) 10.886 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -23.271 -0.163 -2.431) 23.398 2.715 ( 10.112 -9.136 -17.389) 22.093 3.203 ( -5.436 3.567 5.354) 8.423 3.927 ( -6.892 6.099 0.315) 9.208 4.222 ( -20.486 -8.563 5.494) 22.873 5.120 ( 14.201 9.514 2.720) 17.309 5.339 ( -21.320 -10.111 1.211) 23.627 5.828 ( 7.480 -6.451 -3.460) 10.466 6.608 ( -0.627 7.947 1.780) 8.168 6.683 ( -5.822 -0.899 1.753) 6.147 7.330 ( -7.273 2.345 -0.085) 7.642 7.756 ( -2.669 -5.370 -5.839) 8.370 10.116 ( 4.922 3.218 0.073) 5.881 10.467 ( 1.020 2.618 1.136) 3.031 11.381 ( 2.693 2.734 5.048) 6.341 11.807 ( 1.030 -6.839 0.278) 6.921 11.936 ( 1.019 -2.899 1.707) 3.515 12.243 ( 0.295 -0.811 0.017) 0.863 18.067 ( -1.827 10.071 1.134) 10.298 18.322 ( 5.517 -2.066 1.561) 6.095 18.604 ( 5.580 0.910 -0.262) 5.660 18.800 ( 0.013 -5.567 -4.313) 7.042 21.054 ( -2.321 -0.996 0.191) 2.533 21.194 ( 1.806 0.697 -0.032) 1.936 28.063 ( -0.776 1.018 -0.785) 1.502 28.229 ( 1.348 -0.138 1.199) 1.809 36.508 ( -6.622 9.852 0.655) 11.889 37.330 ( -5.805 -13.848 2.764) 15.268 37.721 ( -8.912 1.883 -10.935) 14.232 40.413 ( 10.144 0.578 4.620) 11.161 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -24.394 -0.049 2.655) 24.538 2.506 ( -13.360 -14.223 -8.292) 21.203 3.314 ( 7.841 7.988 -0.393) 11.201 3.755 ( -16.433 0.037 4.130) 16.944 3.997 ( -2.055 -3.923 5.262) 6.877 4.586 ( -43.332 -12.226 0.035) 45.024 5.589 ( 15.859 8.817 4.485) 18.691 5.886 ( 10.169 -7.039 -10.310) 16.101 6.546 ( -7.491 -1.547 6.601) 10.103 6.642 ( -5.350 5.200 -3.355) 8.181 7.167 ( -11.790 -0.917 2.170) 12.024 7.616 ( -5.150 -3.162 -6.501) 8.876 10.232 ( 6.640 1.074 -2.626) 7.221 10.547 ( 4.805 3.184 -2.119) 6.142 11.467 ( -4.978 10.138 6.568) 13.065 11.718 ( -2.995 -7.824 -0.089) 8.378 12.013 ( 13.042 -7.243 5.120) 15.773 12.263 ( 2.077 0.830 0.819) 2.382 18.165 ( -0.227 12.440 0.650) 12.460 18.380 ( 4.317 -6.253 2.379) 7.962 18.690 ( 4.477 0.067 -2.044) 4.922 18.752 ( 2.036 -2.353 -3.981) 5.053 21.012 ( -2.044 -0.631 1.301) 2.504 21.234 ( 2.072 0.637 0.213) 2.178 28.070 ( 0.934 0.953 -0.690) 1.503 28.245 ( 0.318 -0.302 0.554) 0.706 36.497 ( -6.866 11.128 0.403) 13.082 37.077 ( -7.120 -17.504 2.422) 19.052 37.507 ( -13.158 2.605 -8.184) 15.713 40.586 ( 8.429 -0.114 -1.425) 8.549 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -23.142 2.079 10.433) 25.470 1.946 ( -29.623 -18.043 -5.634) 35.140 3.486 ( -16.423 4.901 3.966) 17.592 3.521 ( -9.920 -11.399 1.770) 15.214 3.735 ( -26.668 1.801 1.825) 26.791 4.017 ( 2.177 1.187 3.124) 3.989 5.845 ( 1.540 0.129 -1.710) 2.305 5.910 ( 8.798 -4.038 -3.407) 10.262 6.399 ( -12.915 -3.981 -1.779) 13.631 6.596 ( -1.030 6.935 -0.815) 7.059 7.023 ( -4.526 0.096 4.560) 6.426 7.473 ( -7.335 0.356 -2.290) 7.693 10.334 ( 7.317 0.197 -5.458) 9.130 10.647 ( 5.353 2.669 -3.961) 7.175 11.449 ( -10.481 9.036 3.596) 14.298 11.563 ( -5.902 -8.710 1.352) 10.608 12.253 ( 15.512 -4.690 3.107) 16.501 12.347 ( 7.983 -0.784 3.649) 8.812 18.296 ( 0.712 11.880 1.092) 11.951 18.369 ( 2.352 -7.347 0.295) 7.720 18.735 ( 2.035 -0.749 -1.995) 2.947 18.776 ( 4.203 -0.334 -3.808) 5.682 20.997 ( -0.628 -0.111 5.051) 5.091 21.278 ( 2.104 0.432 1.112) 2.419 28.105 ( 2.527 0.817 -0.685) 2.743 28.242 ( -0.321 -0.422 -0.195) 0.565 36.505 ( -6.370 13.388 0.337) 14.830 36.798 ( -6.979 -16.081 1.529) 17.597 37.260 ( -14.592 1.300 -4.196) 15.239 40.634 ( 2.479 -2.352 -19.148) 19.451 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -7.812 21.005 17.946) 28.710 1.773 ( 6.991 43.366 18.109) 47.513 2.316 ( -32.060 22.034 14.156) 41.397 3.211 ( 2.186 0.388 -10.346) 10.582 3.736 ( -4.531 -0.028 -3.552) 5.757 4.512 ( 4.672 -16.415 11.826) 20.764 5.518 ( 5.718 10.408 -5.579) 13.121 6.096 ( -5.015 10.864 -1.760) 12.095 6.323 ( -2.691 1.772 4.108) 5.221 6.698 ( -9.887 -3.204 1.879) 10.561 6.837 ( 3.368 1.838 -6.089) 7.197 7.309 ( -9.321 -0.017 1.102) 9.386 10.710 ( 1.110 -8.325 1.746) 8.579 10.917 ( -18.559 -1.415 -10.881) 21.560 11.110 ( 0.902 8.228 -0.242) 8.281 11.244 ( 7.298 10.604 4.932) 13.786 12.330 ( 7.558 -5.323 -3.470) 9.874 12.477 ( 13.137 -1.988 -0.165) 13.288 18.275 ( -4.394 -7.708 -1.388) 8.980 18.367 ( 4.744 0.748 -0.789) 4.867 18.764 ( -0.736 -0.027 -1.236) 1.439 18.831 ( 0.008 0.705 -1.113) 1.318 21.248 ( 4.450 -7.497 6.483) 10.864 21.450 ( 5.321 -9.328 12.883) 16.772 28.141 ( 1.277 -3.140 -0.846) 3.494 28.234 ( 0.641 0.210 -0.217) 0.709 36.428 ( -13.659 -3.627 -3.882) 14.656 36.524 ( 2.574 4.549 0.163) 5.229 37.177 ( -9.178 14.682 4.117) 17.797 39.305 ( -20.037 50.917 -62.386) 82.982 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -4.997 25.722 13.569) 29.508 1.815 ( -25.438 19.371 19.553) 37.479 2.890 ( 25.125 40.475 14.442) 49.781 3.273 ( 6.148 5.384 -13.729) 15.978 3.627 ( -3.395 -0.318 -2.897) 4.475 4.409 ( -1.023 -15.022 10.538) 18.378 5.653 ( -0.330 3.085 -9.772) 10.253 6.093 ( -11.654 16.937 -2.823) 20.752 6.233 ( 0.712 -5.840 4.826) 7.609 6.598 ( -0.352 -1.025 2.606) 2.822 6.956 ( 6.654 7.518 -3.380) 10.594 7.285 ( 3.650 1.895 2.251) 4.688 10.426 ( -15.001 -3.801 -3.780) 15.930 10.761 ( -2.657 -4.437 0.643) 5.211 11.212 ( 6.540 4.882 0.583) 8.182 11.496 ( 4.905 11.802 1.317) 12.849 12.319 ( 1.320 -6.530 -2.883) 7.259 12.620 ( 1.204 -2.923 -1.962) 3.720 18.188 ( 4.315 -6.836 -1.463) 8.215 18.407 ( -0.473 0.523 -1.071) 1.282 18.742 ( -1.764 0.766 -0.692) 2.044 18.794 ( -2.371 -3.063 -0.777) 3.951 21.240 ( 0.268 -7.264 5.192) 8.933 21.453 ( -0.076 -9.965 10.777) 14.678 28.114 ( 0.102 -3.645 -0.867) 3.748 28.237 ( -0.418 0.269 -0.409) 0.644 36.289 ( 4.524 -0.273 -2.215) 5.044 36.691 ( 3.501 12.014 -2.320) 12.727 37.150 ( -7.237 10.356 3.088) 13.006 39.394 ( -0.288 49.176 -50.270) 70.324 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -3.185 11.721 25.819) 28.533 1.903 ( -0.721 33.180 3.313) 33.353 3.173 ( -2.491 -3.496 -14.922) 15.528 3.565 ( 12.014 13.396 0.001) 17.994 3.797 ( 8.700 16.029 1.357) 18.288 4.457 ( 9.894 4.631 16.399) 19.704 5.460 ( -9.870 -4.299 -13.716) 17.436 5.986 ( -5.508 -5.524 -1.044) 7.870 6.360 ( 3.478 14.216 -0.690) 14.652 6.665 ( 3.890 3.451 5.132) 7.306 7.109 ( 3.336 6.641 0.879) 7.484 7.453 ( 12.406 0.072 1.305) 12.474 10.217 ( -3.834 -4.206 -1.931) 6.010 10.671 ( -5.013 -2.119 3.274) 6.351 11.409 ( 8.882 6.755 -1.638) 11.279 11.663 ( 3.193 7.202 2.826) 8.369 12.203 ( -8.003 -6.198 -4.924) 11.256 12.448 ( -10.853 -5.358 1.113) 12.155 18.252 ( 7.697 -2.713 -4.155) 9.158 18.379 ( 0.049 -1.618 1.628) 2.296 18.688 ( -4.211 -6.035 -0.989) 7.425 18.701 ( -3.801 0.388 -0.877) 3.920 21.188 ( -1.645 -4.912 4.437) 6.820 21.392 ( -2.266 -6.653 6.717) 9.722 28.075 ( -0.247 -2.516 -1.008) 2.721 28.225 ( -0.857 0.363 -0.677) 1.151 36.500 ( 20.031 -1.468 -1.294) 20.127 36.779 ( -6.956 14.662 -1.511) 16.299 37.248 ( 5.376 9.388 2.820) 11.180 39.605 ( 2.938 31.764 -37.900) 49.538 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 5.877 10.531 13.830) 18.350 2.274 ( 5.806 25.172 8.136) 27.084 3.089 ( 3.154 0.667 -9.828) 10.344 3.863 ( 13.668 7.647 -1.304) 15.716 3.910 ( -5.090 8.158 -2.694) 9.986 4.852 ( 10.922 8.579 3.532) 14.330 5.261 ( -1.868 3.169 -3.099) 4.810 5.818 ( -2.397 -12.272 -2.699) 12.792 6.548 ( 1.162 17.109 -1.688) 17.231 6.813 ( 5.554 4.133 4.856) 8.457 7.194 ( -0.973 4.719 1.726) 5.118 7.659 ( 12.531 -4.253 1.807) 13.356 10.174 ( 3.349 -4.150 0.411) 5.349 10.593 ( -4.844 0.390 1.726) 5.157 11.491 ( -10.816 0.486 0.531) 10.840 11.763 ( -2.057 8.124 -0.854) 8.424 11.954 ( -0.592 -5.844 0.748) 5.921 12.316 ( -1.850 -3.231 0.696) 3.788 18.244 ( -4.355 2.698 -2.931) 5.902 18.478 ( 10.539 -5.398 -1.267) 11.909 18.540 ( -3.269 -6.893 1.077) 7.704 18.611 ( -5.867 -0.458 -1.508) 6.075 21.145 ( -1.406 -2.256 3.027) 4.028 21.322 ( -2.523 -4.793 3.780) 6.605 28.054 ( 0.276 -0.834 -0.691) 1.118 28.210 ( -0.989 0.429 -0.998) 1.469 36.749 ( -4.352 8.921 1.287) 10.009 36.882 ( 19.819 3.217 -4.746) 20.632 37.473 ( 7.500 7.784 4.950) 11.889 39.728 ( 2.264 18.555 -26.381) 32.332 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 6.786 6.740 -2.703) 9.939 2.634 ( 4.771 19.272 13.103) 23.788 3.170 ( 8.314 -0.442 -3.529) 9.043 3.828 ( -9.397 7.637 -7.094) 14.034 4.167 ( 9.855 11.253 3.228) 15.303 4.974 ( 9.090 1.066 -7.596) 11.894 5.418 ( 3.078 10.331 4.961) 11.867 5.661 ( 1.187 -14.173 -3.233) 14.585 6.699 ( -1.242 15.554 -3.688) 16.034 6.954 ( 2.979 2.335 5.510) 6.685 7.185 ( -3.536 1.786 1.793) 4.348 7.794 ( 8.635 -6.714 2.042) 11.128 10.229 ( 4.720 -1.623 2.504) 5.584 10.513 ( -7.429 2.398 -0.559) 7.827 11.165 ( -15.465 -5.665 2.321) 16.632 11.789 ( -0.844 2.817 0.164) 2.946 12.046 ( 7.348 -1.153 1.342) 7.559 12.287 ( -0.312 -0.773 0.383) 0.917 18.186 ( -4.658 4.156 -1.501) 6.420 18.359 ( -4.496 -7.445 -1.300) 8.793 18.497 ( -5.315 -0.927 -1.654) 5.643 18.656 ( 10.670 -3.935 0.288) 11.376 21.127 ( -0.595 -0.644 1.708) 1.920 21.254 ( -2.391 -3.505 1.945) 4.667 28.064 ( 1.185 0.485 0.136) 1.287 28.190 ( -1.253 0.492 -1.323) 1.888 36.748 ( -7.415 12.390 0.667) 14.455 37.224 ( 20.120 0.279 -6.946) 21.288 37.667 ( 5.040 3.453 6.974) 9.272 39.804 ( 3.499 9.719 -15.666) 18.765 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 1.173 2.699 -14.735) 15.026 2.926 ( -1.610 17.806 13.331) 22.302 3.237 ( 2.086 -4.293 -1.237) 4.930 3.752 ( 0.242 5.718 -8.013) 9.847 4.422 ( 5.163 10.924 5.170) 13.142 5.136 ( 1.709 4.815 0.660) 5.152 5.545 ( 2.687 -2.224 -3.874) 5.213 5.579 ( 9.866 -3.949 -0.765) 10.655 6.740 ( -8.204 12.608 -6.722) 16.476 6.936 ( -5.373 -5.075 7.614) 10.611 7.232 ( 3.669 5.457 2.311) 6.970 7.840 ( 4.236 -7.971 1.275) 9.116 10.256 ( -6.763 3.907 1.829) 8.022 10.431 ( -1.881 2.637 1.733) 3.674 11.011 ( 3.026 -8.116 1.741) 8.835 11.785 ( -0.895 -0.632 0.571) 1.236 12.116 ( 2.216 -2.012 -0.103) 2.995 12.270 ( -1.705 -0.670 0.856) 2.022 18.163 ( -3.061 5.663 -0.491) 6.456 18.232 ( -2.923 -4.903 0.120) 5.709 18.420 ( -1.470 -0.559 -1.742) 2.347 18.760 ( 6.607 -4.762 -0.963) 8.201 21.127 ( 0.048 0.059 0.739) 0.743 21.194 ( -2.149 -2.388 0.933) 3.345 28.101 ( 1.655 1.204 1.063) 2.306 28.164 ( -1.391 0.344 -1.524) 2.092 36.751 ( -7.282 12.972 0.829) 14.899 37.459 ( 10.749 0.252 -6.964) 12.810 37.771 ( 3.027 -1.205 3.800) 5.005 39.899 ( 6.836 3.717 -6.054) 9.859 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 0.947 0.267 -15.605) 15.636 2.911 ( -22.600 16.588 -1.158) 28.059 3.247 ( 5.062 -5.811 4.986) 9.179 3.872 ( 8.470 4.578 -3.265) 10.166 4.630 ( 6.988 8.081 4.865) 11.739 4.989 ( -17.196 -3.310 -0.214) 17.513 5.513 ( 4.084 -5.737 -5.344) 8.840 5.831 ( 8.531 2.575 4.077) 9.799 6.639 ( -8.754 9.350 -2.504) 13.051 6.859 ( -3.679 -2.411 5.583) 7.108 7.371 ( 3.938 7.014 0.367) 8.052 7.788 ( 0.033 -10.353 -0.661) 10.374 10.175 ( -7.919 7.857 0.721) 11.179 10.472 ( 0.431 2.116 2.504) 3.306 11.064 ( 11.080 -9.299 1.106) 14.507 11.760 ( -0.028 -2.942 0.094) 2.944 12.081 ( -3.881 -1.476 0.199) 4.157 12.237 ( -0.606 -2.172 1.155) 2.534 18.172 ( -1.655 -0.483 2.554) 3.081 18.191 ( -0.131 5.806 -0.681) 5.848 18.425 ( 3.282 -0.181 -1.607) 3.659 18.773 ( 2.435 -5.999 -2.406) 6.908 21.125 ( -1.179 -0.640 0.103) 1.346 21.156 ( -0.194 -0.540 0.559) 0.801 28.119 ( -1.946 0.904 -0.437) 2.189 28.164 ( 2.165 0.476 0.509) 2.274 36.760 ( -7.645 13.488 1.131) 15.545 37.498 ( -1.520 -5.069 0.530) 5.318 37.799 ( 2.543 -0.693 -6.663) 7.166 40.049 ( 10.226 0.308 0.256) 10.234 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -4.954 0.764 -8.809) 10.135 2.656 ( -16.815 10.357 -7.294) 21.053 3.283 ( 0.393 -0.721 4.405) 4.481 4.000 ( 2.147 2.889 1.282) 3.821 4.539 ( -22.126 -10.249 -0.433) 24.389 4.955 ( 15.169 9.693 2.366) 18.156 5.484 ( -1.997 -2.769 -6.492) 7.335 5.786 ( -10.580 -6.931 6.296) 14.128 6.693 ( 1.186 10.345 -1.054) 10.466 6.801 ( -5.567 0.528 5.877) 8.112 7.463 ( -2.888 6.234 -0.929) 6.933 7.658 ( 0.716 -11.731 -3.648) 12.306 10.159 ( -3.456 7.864 -0.855) 8.633 10.498 ( -0.522 2.835 0.881) 3.014 11.195 ( 14.587 -9.722 2.629) 17.726 11.733 ( 0.382 -3.819 0.738) 3.909 11.991 ( -5.767 -0.005 0.951) 5.845 12.223 ( 0.808 -2.144 1.437) 2.704 18.191 ( 1.751 1.335 3.036) 3.751 18.253 ( -0.050 6.099 0.765) 6.147 18.496 ( 5.927 -0.463 -1.847) 6.225 18.719 ( 0.432 -5.504 -4.010) 6.824 21.085 ( -2.146 -0.760 0.349) 2.303 21.172 ( 1.416 0.301 0.195) 1.461 28.087 ( -1.710 0.240 -0.698) 1.863 28.209 ( 1.820 0.586 0.795) 2.071 36.765 ( -8.173 13.696 1.330) 16.005 37.341 ( -8.139 -11.331 4.697) 14.721 37.769 ( -1.681 1.411 -11.017) 11.233 40.237 ( 11.553 -0.938 1.063) 11.639 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -20.963 5.629 -0.463) 21.711 2.509 ( -7.005 1.002 -6.568) 9.654 3.313 ( 1.047 2.865 -0.143) 3.054 4.028 ( -2.870 -3.582 4.711) 6.577 4.066 ( -19.612 -3.985 1.017) 20.038 5.160 ( -30.499 -3.830 1.114) 30.758 5.358 ( 20.116 7.432 -2.160) 21.553 5.663 ( 3.361 -5.227 -1.985) 6.524 6.716 ( -7.781 0.343 5.541) 9.558 6.751 ( -4.438 4.384 -0.287) 6.244 7.359 ( -9.495 0.037 -1.175) 9.568 7.593 ( 0.684 -3.866 -2.957) 4.915 10.186 ( 0.130 4.955 -3.040) 5.815 10.541 ( 1.220 5.722 -1.602) 6.066 11.387 ( 17.914 -13.768 4.551) 23.047 11.710 ( -1.684 1.083 3.555) 4.080 11.899 ( -4.707 -0.858 -0.222) 4.790 12.241 ( 1.799 -0.374 1.654) 2.472 18.259 ( 4.188 -5.791 3.302) 7.872 18.312 ( -1.276 10.054 2.305) 10.393 18.576 ( 5.677 -0.497 -3.978) 6.949 18.677 ( 1.912 -1.655 -4.321) 5.007 21.048 ( -1.990 -0.331 1.219) 2.357 21.205 ( 1.994 0.282 0.345) 2.043 28.067 ( -0.387 -0.028 -0.453) 0.596 28.238 ( 0.757 0.270 0.027) 0.804 36.762 ( -7.900 11.707 1.274) 14.181 37.088 ( -10.607 -11.264 5.087) 16.287 37.658 ( -7.213 1.519 -8.873) 11.535 40.405 ( 9.905 -1.583 -4.287) 10.908 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -23.896 8.241 5.706) 25.913 2.224 ( -22.105 -6.491 -4.577) 23.488 3.352 ( 2.749 -0.383 -6.747) 7.296 3.766 ( -8.193 -2.842 8.092) 11.861 4.032 ( -2.976 1.796 -1.974) 3.997 4.522 ( -43.007 1.779 10.291) 44.257 5.592 ( 10.620 -7.316 -14.183) 19.169 5.817 ( 12.021 8.772 3.234) 15.229 6.537 ( -11.750 -4.690 1.903) 12.794 6.726 ( -3.641 4.609 1.224) 6.000 7.169 ( -10.855 -2.527 -0.288) 11.149 7.574 ( -2.297 3.439 3.384) 5.343 10.230 ( 3.198 2.523 -4.123) 5.796 10.626 ( 2.296 8.063 -4.623) 9.574 11.451 ( 7.147 -20.929 3.609) 22.408 11.720 ( -9.913 6.936 4.281) 12.834 11.915 ( 12.922 -1.593 -0.464) 13.028 12.286 ( 2.688 -0.027 1.488) 3.073 18.237 ( 2.255 -9.429 2.385) 9.984 18.435 ( 0.840 10.444 2.786) 10.842 18.645 ( 4.871 0.676 -4.281) 6.520 18.694 ( 2.992 -0.125 -4.373) 5.300 21.030 ( -1.007 -0.062 3.352) 3.500 21.247 ( 2.383 0.079 1.092) 2.623 28.072 ( 1.347 -0.100 -0.347) 1.395 28.241 ( -0.157 -0.129 -0.852) 0.876 36.697 ( -5.816 -6.761 1.807) 9.099 36.894 ( -11.360 10.544 4.132) 16.041 37.472 ( -11.779 0.295 -4.949) 12.780 40.461 ( 4.225 -2.830 -16.817) 17.569 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -1.629 20.767 22.984) 31.019 2.224 ( -3.626 41.964 3.605) 42.275 2.987 ( -26.390 4.524 -0.398) 26.778 3.251 ( -7.666 4.122 -5.649) 10.377 3.679 ( 2.728 -8.500 -5.656) 10.568 4.559 ( -11.536 1.203 12.217) 16.845 5.482 ( 8.550 7.637 -5.812) 12.853 6.135 ( -2.940 0.445 -2.846) 4.117 6.369 ( 3.839 -0.380 -3.636) 5.301 6.853 ( -5.922 -0.718 7.470) 9.559 6.907 ( -5.210 13.671 1.691) 14.728 7.531 ( -16.322 -1.988 -0.006) 16.443 10.533 ( 9.444 -5.200 -0.017) 10.781 11.104 ( 3.601 -8.739 8.460) 12.685 11.200 ( 10.518 21.052 -4.238) 23.911 11.227 ( -16.867 -4.089 -5.206) 18.120 12.108 ( 7.057 -1.895 -2.273) 7.652 12.298 ( 5.484 -5.392 1.016) 7.757 18.254 ( 3.441 -3.396 -2.596) 5.488 18.300 ( -2.318 -4.051 0.903) 4.754 18.740 ( 2.685 -0.249 -1.864) 3.279 18.822 ( -0.004 -0.290 -1.187) 1.221 21.151 ( 3.395 -4.033 5.685) 7.753 21.368 ( 3.458 -4.048 6.062) 8.068 28.091 ( 0.744 -2.038 -1.031) 2.402 28.219 ( 1.355 0.438 -0.707) 1.590 36.463 ( 4.131 5.996 -2.333) 7.646 36.725 ( -20.892 -5.456 0.776) 21.606 37.527 ( -9.915 17.559 5.059) 20.790 39.637 ( -10.758 22.290 -43.039) 49.648 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -5.937 20.562 12.126) 24.598 2.488 ( -25.553 11.473 14.473) 31.529 2.877 ( 11.248 18.281 2.346) 21.592 3.309 ( 6.353 26.426 -4.635) 27.571 3.580 ( 0.170 -9.464 -9.025) 13.078 4.444 ( -7.313 1.020 8.308) 11.115 5.664 ( 1.576 7.184 -5.361) 9.101 6.071 ( 4.908 -9.220 -2.863) 10.830 6.353 ( -4.967 1.066 -4.663) 6.896 6.744 ( -9.402 4.420 7.647) 12.900 7.014 ( -1.370 16.748 1.316) 16.855 7.328 ( -6.008 0.572 2.518) 6.539 10.590 ( -2.318 -5.065 0.649) 5.608 10.778 ( -12.165 -2.638 -8.347) 14.988 11.181 ( 2.464 -1.097 7.672) 8.133 11.541 ( 5.793 13.124 0.469) 14.354 12.171 ( 5.511 -6.300 -5.027) 9.764 12.437 ( 13.105 -3.328 2.080) 13.680 18.104 ( -3.101 -8.120 -0.715) 8.721 18.379 ( 3.914 1.436 -1.605) 4.468 18.761 ( 0.417 0.627 -0.869) 1.150 18.784 ( -1.416 -3.944 -1.305) 4.389 21.179 ( 2.085 -4.965 4.572) 7.064 21.398 ( 2.008 -6.454 6.720) 9.531 28.071 ( 0.361 -2.784 -0.884) 2.943 28.238 ( 0.490 0.564 -0.768) 1.072 36.361 ( -12.357 -0.334 -1.449) 12.446 36.676 ( 8.079 10.703 -1.316) 13.474 37.476 ( -14.514 12.223 3.454) 19.287 39.602 ( -2.048 31.575 -38.579) 49.895 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -3.483 15.518 13.073) 20.588 2.252 ( -14.727 8.723 7.025) 18.502 3.077 ( 3.844 2.634 -6.382) 7.902 3.464 ( 3.978 -3.364 -9.239) 10.607 3.851 ( 11.011 25.624 4.005) 28.176 4.508 ( 3.588 16.074 10.226) 19.386 5.497 ( -10.840 -7.099 -12.814) 18.223 6.052 ( -4.753 -9.153 1.560) 10.430 6.337 ( 7.754 7.741 -3.032) 11.368 6.772 ( -2.550 9.968 8.726) 13.491 7.168 ( 0.419 14.769 -0.593) 14.787 7.329 ( 2.571 0.298 3.591) 4.427 10.325 ( -12.858 -3.829 -2.405) 13.630 10.728 ( -0.399 -0.939 3.536) 3.680 11.309 ( 8.284 4.244 1.765) 9.474 11.693 ( 1.850 6.998 1.048) 7.314 12.144 ( 2.195 -6.522 -5.672) 8.918 12.515 ( -1.207 -6.943 0.480) 7.063 18.053 ( 5.641 -5.747 -0.198) 8.055 18.410 ( -0.549 1.432 -2.118) 2.615 18.682 ( -3.536 -6.454 -1.849) 7.588 18.757 ( -1.725 0.588 0.260) 1.841 21.173 ( 0.268 -4.059 3.431) 5.322 21.377 ( -0.231 -6.737 5.440) 8.662 28.047 ( 0.235 -2.110 -0.652) 2.221 28.237 ( -0.497 0.381 -1.016) 1.194 36.293 ( 3.917 2.001 -0.872) 4.484 36.927 ( 6.496 13.132 -0.811) 14.674 37.375 ( -9.855 9.950 2.150) 14.168 39.717 ( 0.020 27.644 -30.969) 41.512 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -5.100 8.832 19.173) 21.717 2.287 ( 9.037 0.536 -0.776) 9.086 3.112 ( -1.576 12.123 -5.032) 13.221 3.602 ( 17.148 0.954 -7.449) 18.720 4.061 ( -2.691 10.926 -0.417) 11.260 4.897 ( 3.871 20.144 5.744) 21.301 5.214 ( -1.012 -6.617 -10.297) 12.282 5.854 ( -9.137 -4.589 1.389) 10.319 6.573 ( 9.843 6.859 -0.759) 12.021 6.888 ( -0.647 10.555 7.616) 13.032 7.279 ( -2.025 10.476 -1.151) 10.732 7.432 ( 8.949 -3.286 2.533) 9.864 10.150 ( -3.676 -2.201 -0.091) 4.285 10.707 ( -4.687 0.764 6.162) 7.780 11.521 ( 7.847 5.565 -0.594) 9.639 11.778 ( 2.808 2.692 0.906) 3.994 12.031 ( -7.525 -5.446 -5.348) 10.719 12.330 ( -7.064 -7.651 0.995) 10.461 18.156 ( 10.777 -3.157 -2.316) 11.466 18.386 ( -2.245 1.364 -0.449) 2.665 18.531 ( -4.434 -8.500 -1.440) 9.694 18.710 ( -4.812 0.605 0.554) 4.881 21.152 ( -0.542 -2.365 2.377) 3.397 21.323 ( -1.448 -5.637 3.556) 6.821 28.037 ( 0.507 -0.585 -0.431) 0.886 28.223 ( -0.785 0.193 -1.150) 1.406 36.481 ( 15.862 0.635 -1.637) 15.959 37.067 ( -5.875 15.166 -0.673) 16.278 37.432 ( 5.399 6.315 3.745) 9.113 39.801 ( -1.764 20.007 -22.990) 30.528 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -0.450 4.097 7.637) 8.678 2.538 ( 18.256 -1.944 6.584) 19.504 3.210 ( -2.253 14.981 0.484) 15.157 3.914 ( 16.204 2.177 -5.224) 17.164 4.100 ( -0.889 13.290 -2.681) 13.587 4.877 ( -3.525 2.132 -7.208) 8.302 5.327 ( 8.346 -3.061 -0.992) 8.945 5.716 ( -7.825 5.912 0.837) 9.843 6.760 ( 5.897 4.348 -0.095) 7.328 7.028 ( 0.361 11.319 5.823) 12.734 7.281 ( -5.801 4.618 -0.686) 7.446 7.567 ( 10.692 -6.234 1.526) 12.471 10.145 ( 3.706 -0.436 1.456) 4.006 10.658 ( -6.074 2.342 5.270) 8.376 11.442 ( -18.676 -4.551 -1.989) 19.325 11.855 ( -3.750 -0.887 2.408) 4.544 11.902 ( 8.498 2.341 -0.915) 8.862 12.244 ( 1.929 -3.825 -1.374) 4.499 18.234 ( 1.345 -0.422 -7.308) 7.443 18.358 ( -4.045 -4.576 0.398) 6.121 18.435 ( 6.396 -4.323 2.412) 8.088 18.624 ( -6.045 1.178 1.259) 6.286 21.137 ( -0.502 -0.909 1.434) 1.771 21.261 ( -1.724 -4.218 1.951) 4.957 28.049 ( 1.079 0.683 -0.054) 1.279 28.205 ( -0.833 0.168 -1.159) 1.438 36.759 ( 16.704 -1.455 -2.420) 16.941 37.103 ( -4.593 16.529 -3.010) 17.417 37.625 ( 7.387 2.004 7.151) 10.475 39.827 ( -2.179 12.604 -15.197) 19.864 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -2.240 4.793 -3.175) 6.170 2.853 ( 16.992 -4.071 7.335) 18.950 3.331 ( -0.604 12.490 5.843) 13.802 3.908 ( -11.716 7.978 -7.166) 15.883 4.402 ( 13.648 8.865 2.905) 16.532 4.948 ( 13.186 -0.104 -3.911) 13.754 5.342 ( 6.001 -8.260 -2.844) 10.599 5.676 ( -8.110 11.106 -3.518) 14.194 6.852 ( 2.331 0.797 0.026) 2.464 7.089 ( -10.834 7.668 -1.112) 13.320 7.248 ( 1.636 2.746 5.578) 6.428 7.667 ( 7.759 -7.080 0.718) 10.528 10.258 ( 6.882 2.122 2.033) 7.483 10.597 ( -7.649 4.085 3.301) 9.279 11.051 ( -15.889 -6.905 0.482) 17.332 11.821 ( -2.500 -0.767 2.483) 3.606 12.023 ( 5.315 -0.990 -1.543) 5.623 12.254 ( 2.300 -2.385 -1.267) 3.547 18.172 ( -0.542 -3.917 -4.865) 6.270 18.274 ( -3.131 0.653 0.217) 3.205 18.472 ( -2.159 -0.645 0.083) 2.255 18.615 ( 4.189 -1.110 2.216) 4.867 21.131 ( -0.205 -0.085 0.689) 0.724 21.205 ( -1.637 -2.860 0.915) 3.420 28.084 ( 1.808 1.162 0.432) 2.192 28.185 ( -1.226 0.229 -1.078) 1.648 36.931 ( 3.196 4.268 -0.220) 5.337 37.241 ( 7.946 9.400 -7.712) 14.525 37.756 ( 2.766 -1.113 8.357) 8.873 39.842 ( 0.699 6.041 -7.889) 9.961 ======================= Grid point 205 (106/294) ======================= q-point: ( 0.67 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -5.492 7.046 -7.779) 11.846 3.069 ( 10.709 -6.475 3.201) 12.917 3.428 ( -12.829 15.461 5.649) 20.869 3.785 ( -0.026 3.896 -4.437) 5.905 4.637 ( 4.917 5.786 5.216) 9.212 5.016 ( 1.077 -14.743 -3.245) 15.134 5.511 ( 5.060 8.821 -2.203) 10.405 5.652 ( 7.356 4.798 -3.326) 9.391 6.863 ( -4.628 4.103 -4.195) 7.474 6.913 ( -8.316 -1.395 4.925) 9.765 7.364 ( 3.706 3.144 4.045) 6.323 7.681 ( 1.861 -7.099 -1.034) 7.411 10.385 ( -1.372 7.691 1.385) 7.934 10.525 ( -5.339 4.706 1.635) 7.302 10.848 ( 1.000 -10.061 1.255) 10.189 11.769 ( -3.040 -1.618 1.070) 3.606 12.061 ( 2.511 -2.376 -1.284) 3.688 12.237 ( -0.600 -3.395 0.242) 3.456 18.126 ( 1.115 -2.926 -1.809) 3.616 18.262 ( 0.177 1.554 0.535) 1.652 18.435 ( -2.636 3.306 -0.260) 4.236 18.668 ( 3.012 -3.369 0.006) 4.519 21.133 ( -0.150 0.147 0.127) 0.245 21.161 ( -1.204 -1.638 0.508) 2.096 28.134 ( 2.313 1.073 0.701) 2.645 28.156 ( -1.843 0.089 -0.866) 2.038 36.990 ( -3.549 9.465 0.560) 10.124 37.397 ( 7.816 -0.890 -5.420) 9.553 37.781 ( -2.180 0.161 3.244) 3.912 39.907 ( 5.963 1.297 -2.249) 6.503 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -4.216 10.001 -4.420) 11.719 3.050 ( -10.902 0.777 -6.197) 12.564 3.316 ( -8.707 6.836 4.756) 12.049 3.931 ( 9.212 1.153 2.190) 9.539 4.720 ( -12.503 -10.573 -1.216) 16.419 4.821 ( 7.762 -0.253 1.128) 7.848 5.503 ( -3.908 5.931 -3.755) 8.034 5.875 ( 2.593 -1.420 2.791) 4.066 6.762 ( -2.864 4.052 -3.481) 6.061 6.918 ( -1.250 4.352 6.649) 8.044 7.446 ( 4.891 -6.168 0.258) 7.876 7.592 ( -4.258 -1.753 -2.209) 5.108 10.354 ( -9.411 9.431 -0.987) 13.360 10.539 ( -0.544 3.047 0.184) 3.100 10.864 ( 11.106 -11.363 1.147) 15.931 11.719 ( -1.070 -1.141 0.772) 1.744 12.060 ( -0.859 -0.086 -0.298) 0.913 12.194 ( 0.020 -4.157 2.491) 4.846 18.131 ( 2.557 -1.993 0.517) 3.283 18.307 ( 2.882 0.287 1.125) 3.107 18.450 ( -0.113 4.563 -0.727) 4.621 18.655 ( 0.121 -2.029 -2.421) 3.161 21.114 ( -1.698 -0.416 0.196) 1.759 21.154 ( 0.889 -0.174 0.242) 0.937 28.117 ( -2.171 -0.219 -0.466) 2.231 28.185 ( 2.260 0.704 0.402) 2.401 36.997 ( -5.748 6.656 0.146) 8.796 37.408 ( -2.831 -4.667 5.244) 7.569 37.746 ( -2.007 3.081 -7.464) 8.320 40.041 ( 10.062 -0.711 -0.691) 10.111 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -8.432 9.766 1.617) 13.004 2.786 ( -17.757 7.494 -5.794) 20.126 3.305 ( 0.037 0.186 0.441) 0.480 4.038 ( 1.422 -3.103 2.647) 4.319 4.312 ( -17.105 -10.187 0.214) 19.910 5.059 ( 14.812 1.743 -0.483) 14.922 5.501 ( -3.087 7.951 -4.017) 9.428 5.702 ( -15.086 -5.803 3.185) 16.474 6.779 ( 0.970 -0.060 1.244) 1.579 6.938 ( -8.762 4.302 4.117) 10.594 7.368 ( 1.284 -10.011 -6.465) 11.986 7.582 ( -0.566 4.804 2.444) 5.420 10.280 ( -6.311 5.280 -2.864) 8.713 10.564 ( 1.400 2.854 -2.581) 4.095 10.970 ( 13.235 -12.267 2.418) 18.207 11.731 ( 1.419 1.953 1.353) 2.767 12.018 ( -5.358 1.646 1.423) 5.783 12.203 ( 2.849 -2.160 3.047) 4.698 18.161 ( 2.752 -4.786 2.971) 6.269 18.352 ( 3.044 -1.331 -0.192) 3.328 18.501 ( 2.810 1.887 -1.093) 3.557 18.649 ( -0.150 5.386 -3.878) 6.639 21.083 ( -1.798 -0.034 0.789) 1.964 21.177 ( 1.681 -0.084 0.278) 1.706 28.079 ( -1.591 -0.485 -0.054) 1.664 28.222 ( 1.440 0.261 -0.388) 1.514 36.904 ( -6.286 -5.926 0.674) 8.665 37.319 ( -11.648 7.724 8.380) 16.296 37.695 ( -1.984 1.180 -9.159) 9.445 40.197 ( 10.101 -1.207 -4.411) 11.089 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -19.038 5.209 6.994) 20.941 2.548 ( -17.846 6.325 -5.303) 19.662 3.316 ( 0.680 2.971 -5.025) 5.877 3.870 ( -8.558 -11.127 5.061) 14.921 4.123 ( -5.698 1.581 0.968) 5.992 5.166 ( -17.798 3.763 -1.929) 18.294 5.317 ( -0.958 -5.805 -2.232) 6.293 5.711 ( 10.624 8.665 0.034) 13.709 6.726 ( -14.229 -4.932 1.498) 15.133 6.797 ( -0.348 0.175 3.645) 3.666 7.257 ( -4.627 -4.247 -5.603) 8.416 7.663 ( 0.691 7.203 6.267) 9.573 10.231 ( -1.950 2.486 -2.727) 4.174 10.616 ( 4.615 1.345 -6.389) 7.995 11.068 ( 11.089 -14.095 4.080) 18.393 11.809 ( 3.469 2.711 -1.063) 4.529 11.944 ( -7.006 4.399 4.275) 9.312 12.253 ( 2.362 -0.437 2.061) 3.165 18.135 ( 0.869 -8.639 3.386) 9.320 18.416 ( 5.959 -0.696 -1.000) 6.082 18.562 ( 4.524 -0.833 -1.970) 5.004 18.704 ( -0.974 10.208 -3.407) 10.805 21.064 ( -1.337 0.161 1.959) 2.377 21.211 ( 2.315 -0.256 0.798) 2.462 28.059 ( -0.213 -0.431 0.210) 0.524 28.233 ( 0.351 -0.238 -1.328) 1.394 36.701 ( -6.520 -12.680 2.125) 14.416 37.277 ( -12.120 18.051 5.430) 22.411 37.598 ( -6.088 -0.768 -4.548) 7.638 40.279 ( 5.601 -1.840 -12.954) 14.233 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -4.486 21.295 19.829) 29.442 2.669 ( -5.079 31.589 -5.493) 32.462 3.353 ( -9.739 -5.589 6.367) 12.909 3.390 ( -8.084 3.292 -6.863) 11.104 3.565 ( -9.752 -0.242 -9.207) 13.414 4.915 ( -18.054 5.035 3.433) 19.055 5.302 ( 13.444 1.142 -2.769) 13.773 6.111 ( 1.270 -12.253 -2.280) 12.528 6.371 ( -3.281 11.352 -0.530) 11.828 6.937 ( 0.089 -0.199 8.265) 8.268 7.156 ( -4.550 14.760 0.763) 15.464 7.753 ( -12.491 -4.626 -1.108) 13.366 10.322 ( 9.850 -3.819 -0.337) 10.570 10.830 ( 19.434 -0.994 7.406) 20.821 11.267 ( 1.378 9.714 1.195) 9.884 11.450 ( -16.020 -3.746 -5.987) 17.508 12.063 ( -0.459 -1.193 2.056) 2.421 12.183 ( 1.526 -5.025 -1.255) 5.400 18.132 ( 6.182 -1.027 -1.409) 6.423 18.307 ( -2.422 -5.177 0.414) 5.730 18.653 ( 5.052 -0.990 -2.533) 5.738 18.832 ( -2.389 -0.372 -0.913) 2.585 21.110 ( 1.182 -1.370 3.268) 3.736 21.301 ( 3.241 -3.083 3.269) 5.540 28.075 ( -0.659 -0.351 -0.520) 0.910 28.189 ( 1.920 0.099 -1.173) 2.252 36.449 ( 3.375 6.320 -1.761) 7.378 37.035 ( -20.237 -4.339 1.490) 20.750 37.858 ( -6.197 15.622 4.297) 17.347 39.750 ( -7.052 9.692 -27.679) 30.162 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -6.565 17.398 8.754) 20.553 2.957 ( 0.774 16.305 9.207) 18.741 3.045 ( -23.068 -1.612 5.451) 23.758 3.398 ( 0.051 3.982 -4.475) 5.990 3.456 ( 5.262 17.969 -11.347) 21.894 4.707 ( -13.360 8.090 1.047) 15.653 5.565 ( 14.977 2.531 -1.051) 15.226 5.929 ( -3.130 -15.721 -4.719) 16.710 6.407 ( -4.908 6.487 -1.581) 8.287 6.953 ( -4.052 3.762 6.842) 8.797 7.237 ( -4.123 14.652 0.774) 15.241 7.509 ( -10.980 0.586 2.277) 11.229 10.462 ( 9.406 -0.758 -0.755) 9.466 10.963 ( -13.410 -7.098 -7.502) 16.927 11.138 ( 2.937 -5.573 8.604) 10.663 11.535 ( 9.180 13.049 2.217) 16.108 12.043 ( 0.478 -2.266 -3.517) 4.211 12.224 ( 9.004 -4.125 3.162) 10.396 18.094 ( -4.066 -7.084 -1.703) 8.344 18.310 ( 4.486 1.320 -0.092) 4.677 18.704 ( 3.633 -2.919 -0.989) 4.764 18.782 ( -1.712 -1.072 -1.910) 2.780 21.133 ( 1.491 -2.165 3.085) 4.053 21.331 ( 2.545 -4.722 3.854) 6.605 28.050 ( -0.744 -1.107 -0.645) 1.482 28.221 ( 1.638 0.567 -1.032) 2.017 36.586 ( -3.964 7.235 -2.590) 8.646 36.689 ( -8.739 2.205 1.311) 9.108 37.849 ( -12.785 10.694 3.976) 17.136 39.688 ( 0.082 18.153 -27.555) 32.997 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -7.303 7.307 -5.080) 11.512 2.655 ( -22.376 -1.106 10.936) 24.930 3.077 ( 1.589 6.906 3.495) 7.902 3.310 ( 1.494 -4.644 -9.357) 10.552 3.950 ( 10.639 27.966 4.622) 30.276 4.704 ( -1.309 20.081 0.059) 20.123 5.552 ( -10.040 -12.263 -5.936) 16.924 5.921 ( 13.163 -1.871 0.649) 13.312 6.303 ( -4.925 -1.218 -4.096) 6.520 6.984 ( -4.086 9.731 7.356) 12.865 7.277 ( -2.637 6.193 -1.937) 7.004 7.467 ( -5.336 11.372 7.070) 14.414 10.485 ( -11.041 -6.505 -1.804) 12.941 10.697 ( 2.448 0.778 -1.741) 3.103 11.238 ( 5.877 0.179 5.380) 7.970 11.733 ( 2.335 5.944 1.314) 6.519 12.010 ( 2.236 -4.181 -5.634) 7.363 12.381 ( 9.160 -5.060 2.748) 10.820 17.970 ( -1.413 -5.194 0.615) 5.418 18.389 ( 3.142 1.577 -2.133) 4.112 18.658 ( -2.182 -7.041 -1.803) 7.588 18.771 ( 0.588 0.959 -0.622) 1.286 21.145 ( 0.896 -2.221 2.416) 3.402 21.330 ( 1.133 -5.663 3.596) 6.803 28.029 ( -0.252 -0.797 -0.178) 0.855 28.236 ( 0.337 0.239 -1.394) 1.454 36.376 ( -10.434 2.004 0.444) 10.634 36.891 ( 9.573 11.908 -0.620) 15.291 37.708 ( -15.198 8.290 2.274) 17.461 39.789 ( 3.101 19.974 -23.505) 31.001 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -2.167 -11.484 -11.980) 16.736 2.505 ( -9.369 4.712 17.697) 20.571 3.214 ( 3.409 8.767 2.014) 9.620 3.331 ( 8.498 2.329 -9.056) 12.635 4.212 ( -1.755 12.583 0.969) 12.741 5.013 ( 8.673 14.902 -1.917) 17.348 5.239 ( -12.229 1.202 -2.865) 12.617 5.955 ( -5.425 -2.184 0.963) 5.927 6.377 ( 14.542 -0.983 -1.334) 14.636 7.059 ( -2.701 9.904 6.505) 12.153 7.285 ( 1.730 0.373 -1.940) 2.626 7.533 ( -6.341 13.250 5.190) 15.580 10.224 ( -8.531 -4.692 -1.033) 9.791 10.785 ( 1.171 1.838 4.855) 5.322 11.409 ( 9.751 4.377 0.622) 10.706 11.790 ( -0.058 2.381 0.863) 2.533 11.980 ( 1.838 -3.531 -6.124) 7.303 12.364 ( -4.013 -9.188 0.880) 10.064 17.978 ( 5.897 -2.129 1.140) 6.373 18.421 ( 0.066 1.895 -2.258) 2.949 18.511 ( -4.425 -8.446 -2.544) 9.869 18.774 ( -1.564 0.499 0.841) 1.845 21.145 ( 0.168 -1.536 1.642) 2.255 21.298 ( -0.234 -5.413 2.699) 6.053 28.026 ( 0.285 0.212 0.246) 0.432 28.227 ( -0.438 -0.177 -1.628) 1.695 36.336 ( 2.520 2.581 -0.086) 3.609 37.156 ( 8.092 9.607 1.461) 12.645 37.570 ( -10.375 8.264 1.123) 13.312 39.900 ( 0.240 17.037 -18.058) 24.827 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 16.583 -13.181 0.572) 21.191 2.524 ( -3.331 5.955 11.459) 13.336 3.357 ( 2.051 7.519 2.963) 8.338 3.538 ( 17.876 2.073 -8.491) 19.898 4.263 ( -3.224 11.432 -3.717) 12.446 4.943 ( -4.075 -6.544 -5.102) 9.245 5.309 ( -4.812 13.736 1.018) 14.589 5.882 ( -3.861 5.487 -0.018) 6.709 6.597 ( 13.125 -4.413 0.556) 13.859 7.154 ( -0.350 9.067 5.467) 10.594 7.338 ( 6.737 -2.188 -1.693) 7.283 7.534 ( -9.650 10.232 2.263) 14.246 10.119 ( -0.570 -1.321 0.673) 1.588 10.801 ( -4.147 1.795 6.184) 7.659 11.570 ( 0.817 -0.707 -1.467) 1.822 11.797 ( 0.495 -0.096 -1.099) 1.209 11.938 ( -1.495 1.023 -2.128) 2.795 12.179 ( -3.295 -7.739 -0.806) 8.450 18.094 ( 7.616 -1.472 -1.733) 7.948 18.351 ( -2.537 -7.896 -0.763) 8.329 18.416 ( -1.735 2.385 -1.051) 3.131 18.734 ( -4.393 0.642 1.672) 4.745 21.141 ( -0.177 -0.590 0.954) 1.135 21.250 ( -0.932 -4.346 1.627) 4.733 28.043 ( 0.691 1.013 0.404) 1.291 28.208 ( -0.403 -0.240 -1.476) 1.548 36.480 ( 12.099 0.817 -1.844) 12.266 37.312 ( -1.467 8.676 1.108) 8.869 37.579 ( 2.311 5.636 3.501) 7.026 39.940 ( -3.601 12.643 -12.234) 17.958 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 13.601 -5.177 8.670) 16.940 2.631 ( 6.219 4.639 2.846) 8.264 3.445 ( -0.083 3.812 5.988) 7.099 3.861 ( 22.278 -2.294 -5.209) 22.993 4.325 ( -0.368 14.180 -6.706) 15.690 4.844 ( -0.146 -3.162 -1.989) 3.739 5.275 ( -5.504 2.813 0.097) 6.182 5.889 ( -5.395 9.948 -2.968) 11.699 6.720 ( 8.906 -8.621 1.317) 12.465 7.266 ( 1.711 5.866 3.952) 7.278 7.394 ( -10.338 7.758 -2.229) 13.116 7.479 ( 5.198 -2.275 1.207) 5.801 10.174 ( 5.804 1.987 1.303) 6.272 10.757 ( -5.956 1.287 5.006) 7.886 11.313 ( -19.382 -5.979 -1.022) 20.309 11.826 ( 2.392 -2.675 1.758) 3.996 11.964 ( 0.573 3.359 -1.688) 3.802 12.145 ( 4.900 -3.504 -3.375) 6.905 18.101 ( 0.577 -5.399 -4.204) 6.867 18.309 ( 0.184 -0.590 -1.133) 1.290 18.430 ( 2.125 0.595 1.973) 2.961 18.673 ( -4.686 1.726 2.499) 5.584 21.138 ( -0.254 0.079 0.416) 0.494 21.203 ( -1.049 -3.002 0.738) 3.265 28.071 ( 1.218 0.915 0.364) 1.566 28.195 ( -0.456 0.173 -0.998) 1.111 36.709 ( 15.817 -0.736 -3.203) 16.155 37.337 ( -3.911 7.573 -1.218) 8.610 37.724 ( 5.485 2.578 6.679) 9.019 39.915 ( -4.996 7.818 -6.711) 11.451 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -1.881 6.329 2.545) 7.076 2.830 ( 12.318 -1.760 1.166) 12.498 3.534 ( 5.309 -0.532 8.694) 10.200 3.987 ( -7.834 4.978 -5.592) 10.836 4.527 ( 14.152 3.877 -2.173) 14.834 4.832 ( 3.466 -6.492 -1.738) 7.562 5.309 ( 9.509 4.826 -0.680) 10.685 5.822 ( -10.321 5.274 -2.254) 11.807 6.786 ( 7.822 -5.765 1.979) 9.916 7.186 ( -16.461 3.426 -1.837) 16.914 7.348 ( 1.631 0.989 1.266) 2.290 7.584 ( 5.209 -0.251 0.500) 5.239 10.353 ( 9.447 6.277 0.856) 11.375 10.682 ( -5.494 -0.665 2.973) 6.282 10.942 ( -17.660 -3.525 0.587) 18.018 11.819 ( -2.540 -0.893 1.289) 2.985 11.981 ( 2.581 -1.585 -1.915) 3.583 12.169 ( 3.079 -3.937 -2.696) 5.679 18.058 ( 2.043 -3.553 -1.830) 4.488 18.283 ( -1.914 0.811 -1.202) 2.401 18.473 ( 0.839 0.222 0.588) 1.049 18.654 ( -1.476 2.188 2.446) 3.598 21.137 ( -0.156 0.243 0.058) 0.295 21.165 ( -0.995 -1.681 0.215) 1.965 28.106 ( 2.073 0.343 0.275) 2.119 28.181 ( -1.295 0.446 -0.478) 1.451 36.948 ( 13.711 0.567 -2.351) 13.923 37.315 ( -2.121 -0.358 -1.717) 2.752 37.850 ( 0.996 4.959 5.052) 7.149 39.882 ( -2.025 3.345 -2.170) 4.472 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -5.200 13.054 1.584) 14.140 2.965 ( 6.907 -3.900 -3.095) 8.514 3.637 ( -4.167 -2.493 4.450) 6.587 3.817 ( -3.488 3.106 -2.485) 5.290 4.674 ( 2.065 -6.393 -3.255) 7.465 4.795 ( 0.404 -0.530 2.946) 3.020 5.652 ( -4.471 -3.522 1.182) 5.813 5.659 ( 16.244 5.546 -1.201) 17.207 6.853 ( -4.997 -1.810 -1.433) 5.505 6.991 ( -1.542 5.806 2.087) 6.359 7.333 ( -0.706 -6.934 -0.927) 7.031 7.635 ( -0.159 2.093 0.237) 2.113 10.566 ( -0.069 6.285 -0.097) 6.286 10.606 ( -1.508 0.821 0.102) 1.720 10.676 ( -6.349 -2.989 0.012) 7.017 11.751 ( -3.426 -0.581 -0.235) 3.483 12.021 ( 3.958 -0.948 0.542) 4.106 12.148 ( 1.114 -5.225 -0.323) 5.352 18.075 ( 2.760 -1.310 -0.006) 3.055 18.267 ( 0.231 -0.388 -0.003) 0.452 18.479 ( -0.243 0.186 0.019) 0.307 18.668 ( -0.889 3.486 -0.010) 3.598 21.137 ( -1.196 0.230 -0.077) 1.220 21.140 ( 0.382 -0.753 0.077) 0.848 28.147 ( 1.539 -0.163 -0.148) 1.554 28.155 ( -1.203 0.243 0.148) 1.236 37.083 ( -1.142 -1.421 0.168) 1.831 37.303 ( 8.663 -4.654 -0.286) 9.838 37.883 ( -6.432 8.023 0.138) 10.284 39.912 ( 4.100 0.763 -0.022) 4.171 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -6.227 14.810 6.384) 17.288 2.942 ( -2.186 -1.982 -10.453) 10.861 3.411 ( -11.247 -2.782 -0.529) 11.598 3.926 ( 7.935 -2.813 1.028) 8.481 4.465 ( -12.766 -7.093 -0.378) 14.609 4.902 ( 7.450 -0.985 6.863) 10.177 5.561 ( -1.492 1.837 0.460) 2.412 5.860 ( -1.393 0.722 -3.745) 4.061 6.712 ( 0.301 -6.780 1.011) 6.861 7.143 ( -6.144 7.691 4.111) 10.668 7.192 ( 3.827 -7.545 -6.567) 10.709 7.648 ( -0.555 2.884 2.078) 3.598 10.432 ( -8.432 -3.976 -2.847) 9.747 10.498 ( -1.621 -5.006 -0.738) 5.314 10.825 ( 5.289 10.110 -0.911) 11.446 11.733 ( 0.794 1.644 0.319) 1.853 12.084 ( 0.157 2.017 0.317) 2.048 12.127 ( 3.916 -5.306 3.972) 7.698 18.105 ( 1.528 -2.393 2.172) 3.575 18.273 ( 2.006 -2.389 -0.641) 3.185 18.471 ( 0.334 -0.792 -0.961) 1.290 18.712 ( 0.376 7.735 -1.498) 7.888 21.115 ( -1.481 0.298 0.332) 1.547 21.150 ( 1.208 -0.381 0.007) 1.267 28.111 ( -2.507 -0.277 0.381) 2.551 28.188 ( 2.289 -0.357 -0.546) 2.380 36.930 ( -6.797 -11.423 1.708) 13.401 37.466 ( 7.944 2.632 2.522) 8.740 37.800 ( -11.259 8.675 -3.444) 14.625 40.020 ( 7.761 0.268 -1.903) 7.996 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -15.489 2.826 11.062) 19.242 2.789 ( -8.377 4.183 -13.342) 16.299 3.317 ( 1.288 3.045 -3.075) 4.515 3.914 ( -5.706 -5.199 -1.239) 7.818 4.242 ( -7.541 -3.066 6.268) 10.273 5.042 ( 8.164 -5.847 4.132) 10.859 5.643 ( -2.475 8.938 -3.023) 9.754 5.654 ( -9.995 1.836 -2.807) 10.543 6.726 ( 6.199 -10.051 5.861) 13.184 6.899 ( -11.483 -6.528 -3.518) 13.669 7.253 ( -1.813 2.974 -4.054) 5.345 7.735 ( 2.866 6.849 5.390) 9.175 10.273 ( -2.952 -5.492 -3.031) 6.933 10.435 ( 2.350 -7.479 -1.803) 8.045 10.983 ( 2.267 10.048 -0.281) 10.304 11.788 ( 2.159 2.929 -0.745) 3.714 12.064 ( -2.206 -0.474 3.293) 3.992 12.210 ( 3.997 0.359 2.928) 4.968 18.077 ( -0.895 -6.881 3.660) 7.845 18.300 ( 4.595 -1.315 -2.235) 5.276 18.482 ( 2.438 -0.211 -2.099) 3.224 18.800 ( 0.437 9.034 -1.416) 9.154 21.097 ( -1.441 0.478 0.958) 1.795 21.174 ( 1.996 -0.559 0.366) 2.105 28.074 ( -1.670 -0.344 0.748) 1.862 28.209 ( 1.226 -0.627 -1.388) 1.955 36.700 ( -6.752 -12.838 2.307) 14.688 37.597 ( 2.293 1.873 1.828) 3.479 37.677 ( -12.056 12.055 -1.401) 17.107 40.121 ( 5.725 0.030 -7.434) 9.383 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -1.794 18.132 13.680) 22.784 2.848 ( 5.061 12.024 -7.171) 14.887 3.419 ( -4.935 7.486 -16.982) 19.204 3.507 ( -14.909 -9.766 15.048) 23.326 3.904 ( -13.559 15.203 -7.449) 21.691 4.970 ( 10.900 -5.172 -4.232) 12.786 5.349 ( -16.930 5.851 2.477) 18.083 5.956 ( 0.937 -11.311 -0.681) 11.370 6.509 ( 2.890 8.085 0.853) 8.629 6.945 ( 2.694 0.415 8.734) 9.150 7.318 ( 0.608 11.391 -0.995) 11.451 7.828 ( -6.279 -8.754 -2.983) 11.179 10.150 ( 8.160 0.326 0.940) 8.221 10.610 ( 11.728 2.460 7.241) 14.002 11.328 ( 0.099 2.736 2.560) 3.748 11.634 ( -11.653 -1.008 -3.527) 12.217 12.036 ( 1.585 -5.022 3.143) 6.133 12.158 ( -3.320 -2.461 -3.398) 5.350 18.027 ( 4.950 -0.030 -0.676) 4.996 18.282 ( 0.221 -3.346 0.207) 3.360 18.550 ( 4.036 -0.806 -2.242) 4.687 18.879 ( -3.993 -1.025 -0.820) 4.204 21.108 ( -0.149 -0.129 1.612) 1.624 21.233 ( 2.979 -2.468 1.644) 4.203 28.098 ( -1.167 1.225 0.699) 1.831 28.148 ( 1.464 -0.499 -1.774) 2.353 36.452 ( 2.916 6.474 -1.534) 7.265 37.316 ( -15.540 -2.330 2.046) 15.846 38.040 ( 0.798 9.140 -0.304) 9.180 39.840 ( -8.696 4.421 -13.606) 16.742 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -6.786 11.370 -0.125) 13.242 3.058 ( 3.448 6.280 4.376) 8.395 3.243 ( -8.469 -11.097 11.302) 17.961 3.457 ( -0.657 14.829 -5.503) 15.830 3.789 ( -15.292 28.465 -6.595) 32.979 4.987 ( -9.585 4.937 -6.463) 12.570 5.293 ( 11.890 -1.214 1.367) 12.030 5.796 ( -2.734 -15.568 -2.658) 16.028 6.611 ( -5.564 10.105 1.945) 11.698 7.020 ( 1.383 1.387 5.950) 6.264 7.417 ( -2.138 9.917 -0.391) 10.152 7.632 ( -4.504 -4.653 -1.064) 6.563 10.313 ( 8.730 3.367 -0.539) 9.372 10.872 ( 11.503 -1.853 4.706) 12.565 11.189 ( -12.062 -11.417 -1.268) 16.657 11.574 ( 1.761 10.924 3.730) 11.677 12.029 ( -0.094 -3.571 0.202) 3.578 12.093 ( 2.149 -2.760 -0.253) 3.507 18.067 ( 0.250 -2.854 -2.188) 3.605 18.266 ( 1.627 -0.555 0.842) 1.914 18.597 ( 4.325 -2.851 -1.396) 5.365 18.800 ( -2.825 -1.382 -1.403) 3.444 21.116 ( 0.453 -0.531 1.726) 1.862 21.261 ( 2.611 -3.541 1.993) 4.830 28.071 ( -2.276 0.439 -0.177) 2.324 28.184 ( 2.602 0.408 -1.043) 2.833 36.612 ( 5.926 11.993 -1.937) 13.517 36.990 ( -20.379 -1.957 1.696) 20.543 38.101 ( -4.459 6.215 1.466) 7.789 39.725 ( -2.774 9.492 -16.129) 18.919 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -10.400 -1.415 -11.545) 15.603 3.017 ( -15.017 -6.190 13.089) 20.860 3.139 ( 1.327 4.512 1.652) 4.985 3.374 ( -14.719 8.652 -3.460) 17.421 4.099 ( 7.102 30.007 4.629) 31.181 4.903 ( -3.673 13.801 -6.383) 15.643 5.489 ( 2.150 -11.674 0.451) 11.879 5.645 ( 12.283 -3.525 -3.190) 13.171 6.481 ( -15.134 1.918 -0.852) 15.279 7.101 ( 1.374 5.016 3.222) 6.118 7.408 ( -5.663 4.474 -0.138) 7.218 7.637 ( 0.826 6.342 4.282) 7.697 10.482 ( 5.557 1.906 -0.505) 5.896 10.736 ( -11.488 -8.097 -4.815) 14.856 11.129 ( 8.462 -2.667 4.215) 9.822 11.749 ( 3.153 6.542 3.457) 8.043 11.965 ( -1.911 -2.368 -2.568) 3.982 12.192 ( 9.559 -2.737 3.530) 10.551 17.980 ( -3.851 -3.590 0.250) 5.271 18.330 ( 4.206 1.397 -1.202) 4.592 18.597 ( 0.663 -6.140 -1.336) 6.318 18.762 ( 0.276 0.221 -1.499) 1.541 21.128 ( 0.628 -0.716 1.461) 1.744 21.270 ( 1.750 -4.329 1.993) 5.077 28.043 ( -1.487 0.578 0.280) 1.620 28.216 ( 1.385 0.099 -1.469) 2.022 36.647 ( -18.045 1.447 1.563) 18.170 36.858 ( 7.776 12.452 -0.863) 14.706 38.008 ( -11.650 2.728 1.516) 12.061 39.781 ( 4.565 13.223 -15.427) 20.825 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -15.241 -11.912 -15.648) 24.880 2.784 ( -12.995 -1.753 12.427) 18.066 3.230 ( -3.272 5.536 0.505) 6.450 3.297 ( 2.937 8.201 -1.837) 8.903 4.375 ( -1.657 13.409 2.173) 13.685 4.983 ( -0.059 -0.933 -3.491) 3.614 5.420 ( 1.559 12.219 0.409) 12.325 5.921 ( 14.092 0.723 -0.097) 14.111 6.239 ( -9.064 -2.275 -1.344) 9.441 7.170 ( -0.036 4.385 1.011) 4.500 7.343 ( -5.776 2.535 0.664) 6.342 7.744 ( -0.778 8.585 4.683) 9.810 10.317 ( -10.422 -8.068 -1.600) 13.277 10.749 ( 6.834 3.863 -0.125) 7.851 11.286 ( 9.539 1.826 0.382) 9.719 11.818 ( -0.306 1.661 1.262) 2.109 11.918 ( -0.141 -0.536 -1.863) 1.943 12.291 ( 3.441 -6.681 2.010) 7.779 17.928 ( 0.121 -0.357 2.092) 2.126 18.398 ( 2.730 0.887 -1.388) 3.188 18.489 ( -3.447 -6.938 -3.477) 8.492 18.781 ( 1.249 0.051 0.337) 1.294 21.137 ( 0.404 -0.504 0.960) 1.157 21.256 ( 0.670 -4.445 1.642) 4.785 28.037 ( -0.499 1.054 0.847) 1.441 28.218 ( 0.113 -0.401 -1.863) 1.909 36.432 ( -9.840 2.413 1.458) 10.236 37.110 ( 8.115 10.167 0.987) 13.046 37.829 ( -11.800 2.504 0.539) 12.075 39.929 ( 4.659 12.948 -12.214) 18.399 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 2.583 -11.095 -2.850) 11.743 2.674 ( -5.092 -0.470 6.989) 8.660 3.253 ( 4.132 1.885 -2.976) 5.430 3.455 ( 4.129 6.780 1.230) 8.033 4.401 ( -4.614 7.912 -2.904) 9.609 4.883 ( -1.301 -7.541 -1.070) 7.727 5.631 ( -5.718 21.188 1.306) 21.985 5.960 ( -3.355 0.999 0.386) 3.522 6.284 ( 14.915 -7.090 -0.984) 16.544 7.211 ( 2.265 1.690 -0.168) 2.831 7.293 ( -2.784 1.905 1.167) 3.569 7.793 ( -5.866 8.326 2.346) 10.452 10.133 ( -3.644 -3.571 -0.368) 5.115 10.856 ( 2.006 1.103 1.327) 2.646 11.472 ( 8.435 2.394 -1.170) 8.846 11.814 ( -1.138 0.705 -1.709) 2.171 11.931 ( 1.179 2.345 0.437) 2.661 12.184 ( -5.652 -9.579 0.137) 11.123 17.991 ( 4.243 1.529 1.478) 4.746 18.319 ( -3.505 -7.822 -1.801) 8.759 18.447 ( 0.285 2.629 -2.140) 3.402 18.789 ( -0.886 -0.242 1.557) 1.807 21.142 ( 0.114 0.030 0.432) 0.447 21.226 ( -0.175 -3.841 1.055) 3.987 28.050 ( 0.096 1.098 0.913) 1.431 28.202 ( -0.182 -0.295 -1.669) 1.704 36.380 ( 0.540 1.640 0.057) 1.728 37.315 ( 5.977 4.067 3.572) 8.064 37.704 ( -6.446 4.710 -0.220) 7.986 40.038 ( 0.154 10.661 -7.906) 13.274 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 22.823 -2.426 13.817) 26.789 2.657 ( -0.103 1.113 0.780) 1.363 3.384 ( 12.716 -1.916 -2.870) 13.176 3.540 ( 2.658 -0.636 1.031) 2.921 4.436 ( 0.396 11.871 -3.556) 12.399 4.789 ( -1.627 -6.571 -2.809) 7.329 5.565 ( -16.811 9.893 3.255) 19.776 6.005 ( 0.277 7.795 -2.239) 8.115 6.418 ( 13.223 -13.739 -0.048) 19.069 7.277 ( 2.897 -2.241 0.209) 3.669 7.323 ( 4.800 3.941 1.121) 6.311 7.725 ( -11.510 7.398 -0.849) 13.708 10.118 ( 3.151 1.085 0.396) 3.356 10.852 ( -2.752 -1.309 0.901) 3.178 11.491 ( -7.096 -5.496 0.344) 8.982 11.783 ( -0.495 1.456 -1.894) 2.439 12.003 ( -0.915 2.577 -0.000) 2.734 12.034 ( 1.759 -3.060 -1.526) 3.845 18.025 ( 0.284 -4.092 -2.590) 4.851 18.266 ( 2.848 0.058 0.715) 2.937 18.456 ( -1.147 2.323 0.094) 2.592 18.764 ( -3.004 0.361 2.228) 3.758 21.145 ( -0.143 0.386 0.010) 0.412 21.191 ( -0.509 -2.639 0.402) 2.718 28.063 ( 0.425 0.067 0.226) 0.486 28.198 ( 0.091 0.767 -0.645) 1.006 36.470 ( 9.426 -0.102 -1.762) 9.590 37.400 ( 0.299 -1.960 4.250) 4.690 37.723 ( 2.101 6.315 0.649) 6.687 40.058 ( -4.844 7.678 -3.378) 9.686 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 14.735 3.578 17.029) 22.802 2.694 ( 4.139 2.689 -5.172) 7.149 3.471 ( 2.141 -6.538 5.036) 8.526 3.728 ( 23.801 -6.485 -3.333) 24.892 4.537 ( -4.512 13.128 -8.851) 16.463 4.707 ( 4.353 -5.049 -0.478) 6.683 5.403 ( -11.009 5.495 3.641) 12.832 5.986 ( -7.476 -1.346 0.326) 7.603 6.526 ( 14.762 -8.240 -0.024) 16.906 7.280 ( 0.365 -4.371 0.237) 4.392 7.459 ( 2.872 1.322 0.221) 3.169 7.572 ( -10.044 7.593 -2.852) 12.911 10.259 ( 8.839 6.356 0.431) 10.895 10.758 ( -5.276 -3.946 -0.054) 6.589 11.215 ( -16.326 -4.858 1.375) 17.089 11.822 ( 2.207 2.025 0.258) 3.007 11.945 ( -1.150 -3.484 -2.205) 4.281 12.086 ( 1.254 0.898 -2.483) 2.924 17.979 ( 1.849 -3.665 -1.639) 4.421 18.315 ( -0.373 2.214 -1.078) 2.490 18.472 ( 0.191 1.581 1.854) 2.444 18.731 ( -2.974 1.559 2.419) 4.139 21.141 ( -0.312 -0.623 -0.195) 0.724 21.167 ( -0.543 -0.310 -0.184) 0.652 28.074 ( 1.434 -0.772 -0.215) 1.642 28.205 ( -0.619 1.287 0.173) 1.439 36.667 ( 15.441 -0.598 -2.520) 15.657 37.343 ( -3.747 -6.989 3.453) 8.649 37.867 ( 5.610 6.677 1.187) 8.801 40.004 ( -7.241 4.569 0.643) 8.586 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 0.564 9.506 3.463) 10.133 2.812 ( 7.329 0.731 -0.464) 7.380 3.478 ( 6.480 -12.611 4.431) 14.854 3.902 ( 2.336 -7.249 -4.020) 8.612 4.557 ( 9.288 -0.651 -4.719) 10.439 4.781 ( -1.056 5.955 0.082) 6.049 5.421 ( 6.813 5.039 1.810) 8.665 5.767 ( -9.062 -12.441 5.170) 16.237 6.748 ( 13.539 0.528 0.154) 13.550 7.143 ( -10.102 -5.587 -2.018) 11.719 7.372 ( -7.220 4.215 -1.699) 8.532 7.622 ( 3.597 1.447 -0.325) 3.891 10.509 ( 8.924 5.946 -0.126) 10.724 10.622 ( -4.056 -1.576 -0.728) 4.411 10.920 ( -15.077 -0.972 -0.160) 15.109 11.810 ( -4.758 -0.593 -2.818) 5.561 11.937 ( 4.684 -1.724 2.036) 5.390 12.077 ( 0.776 -2.243 -1.915) 3.049 18.010 ( 3.982 -0.485 0.183) 4.015 18.295 ( -2.630 1.015 -0.004) 2.819 18.489 ( -0.660 0.898 0.662) 1.296 18.723 ( -1.478 2.727 0.960) 3.247 21.126 ( 0.093 -1.195 -0.345) 1.247 21.159 ( -0.894 1.058 -0.377) 1.436 28.098 ( 2.524 -0.886 -0.231) 2.685 28.196 ( -1.987 0.764 0.480) 2.182 36.935 ( 16.474 0.518 -2.013) 16.604 37.190 ( -4.428 -12.034 3.575) 13.311 38.007 ( 1.676 7.264 -0.951) 7.515 39.940 ( -4.540 2.361 3.368) 6.126 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 0.779 12.668 -1.151) 12.744 2.870 ( 0.167 -1.109 -2.487) 2.728 3.388 ( -0.055 -19.752 -4.756) 20.316 3.836 ( 1.713 -1.150 2.671) 3.375 4.649 ( -5.938 5.647 -1.466) 8.325 4.772 ( 3.947 -9.059 6.148) 11.638 5.585 ( -0.667 -2.750 2.973) 4.104 5.692 ( 14.762 -1.824 0.685) 14.890 6.763 ( -10.806 -6.105 0.182) 12.413 7.026 ( 4.680 -4.371 -6.522) 9.140 7.334 ( -4.238 9.901 2.945) 11.165 7.660 ( 1.462 -0.704 0.285) 1.648 10.406 ( -5.560 -11.138 -0.435) 12.457 10.622 ( -9.801 -0.502 -3.464) 10.407 10.875 ( 4.571 15.977 -1.674) 16.702 11.736 ( -0.345 -0.420 -1.509) 1.603 12.015 ( 4.696 -4.619 3.821) 7.615 12.080 ( 1.923 1.586 -0.073) 2.494 18.074 ( 2.238 0.165 1.582) 2.746 18.257 ( -1.994 -1.256 0.780) 2.483 18.477 ( -1.506 0.852 -0.347) 1.765 18.753 ( 1.083 4.818 -1.125) 5.064 21.121 ( 0.681 -0.979 -0.320) 1.235 21.151 ( -1.154 1.147 -0.251) 1.646 28.135 ( 2.839 -0.780 -0.393) 2.970 28.159 ( -2.923 -0.009 0.695) 3.004 36.935 ( -6.750 -13.017 2.664) 14.903 37.262 ( 16.031 -0.190 -0.114) 16.032 38.031 ( -5.791 7.016 -2.883) 9.543 39.952 ( 1.373 2.056 3.416) 4.217 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -11.027 -6.574 9.783) 16.141 2.800 ( -0.789 0.732 -18.216) 18.248 3.255 ( 5.516 0.493 -4.842) 7.356 3.919 ( 3.660 0.820 1.023) 3.888 4.450 ( -16.948 -0.932 7.365) 18.503 4.852 ( 10.363 -11.337 7.683) 17.174 5.639 ( 3.485 7.416 -1.821) 8.394 5.819 ( 0.104 -1.185 -3.967) 4.141 6.560 ( -1.870 -10.252 4.384) 11.306 6.927 ( -3.469 -7.199 -6.813) 10.501 7.365 ( -6.134 5.359 -0.065) 8.145 7.743 ( 5.799 5.205 3.652) 8.605 10.196 ( -4.276 -11.530 -1.899) 12.443 10.460 ( -5.886 -0.831 -1.939) 6.252 11.073 ( 1.580 14.149 -1.865) 14.359 11.774 ( 2.872 2.754 -0.974) 4.097 12.034 ( 2.844 -5.575 2.956) 6.921 12.174 ( 3.965 3.322 2.574) 5.778 18.066 ( -2.318 -4.670 3.289) 6.164 18.234 ( 1.139 -0.104 -1.199) 1.657 18.466 ( -0.643 1.738 -1.112) 2.161 18.838 ( 2.823 6.070 -1.506) 6.862 21.124 ( 0.078 -0.152 0.038) 0.175 21.145 ( 0.056 0.233 0.004) 0.239 28.111 ( -2.548 -0.626 0.795) 2.741 28.169 ( 1.959 -0.448 -0.719) 2.135 36.700 ( -6.699 -13.075 2.594) 14.918 37.490 ( 9.968 -0.179 -0.643) 9.990 37.958 ( -8.249 7.776 -2.122) 11.533 40.033 ( 3.384 2.466 0.309) 4.199 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 10.307 4.554 0.054) 11.268 2.878 ( 3.568 16.024 4.381) 16.991 3.460 ( -8.625 -5.091 -14.660) 17.755 3.840 ( -15.949 2.803 6.746) 17.543 4.043 ( 6.966 8.870 -7.439) 13.511 4.769 ( 2.340 -5.620 -0.456) 6.105 5.737 ( -17.495 6.164 1.906) 18.647 5.872 ( -1.658 -6.076 0.936) 6.367 6.390 ( 13.674 1.639 -0.853) 13.798 6.965 ( 3.954 3.951 8.492) 10.167 7.355 ( 4.004 6.398 -0.486) 7.563 7.813 ( -5.410 -9.731 -3.799) 11.764 10.072 ( 4.723 4.957 2.158) 7.179 10.521 ( 6.529 1.575 6.209) 9.146 11.332 ( 0.505 -4.430 3.559) 5.704 11.790 ( -7.761 1.848 -1.896) 8.200 11.971 ( 1.273 -4.343 0.830) 4.601 12.178 ( -3.647 -2.661 -3.510) 5.719 17.958 ( 3.544 0.963 -0.579) 3.718 18.260 ( -0.588 -0.695 0.338) 0.971 18.496 ( 0.723 -0.147 -0.687) 1.008 18.921 ( -2.942 -1.998 -1.214) 3.758 21.123 ( -0.607 0.255 0.546) 0.856 21.172 ( 2.352 -1.713 0.735) 3.001 28.090 ( 2.345 -0.041 -0.374) 2.375 28.163 ( -2.597 1.177 0.120) 2.854 36.457 ( 3.188 6.576 -1.456) 7.451 37.520 ( -8.688 -0.248 2.374) 9.010 38.003 ( 6.786 0.424 -5.769) 8.917 40.003 ( -10.834 2.843 -2.276) 11.430 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 1.338 -0.037 -6.977) 7.104 3.181 ( -2.715 11.855 5.502) 13.349 3.237 ( 2.396 -2.696 3.448) 4.990 3.676 ( -9.594 8.551 3.547) 13.332 4.192 ( -3.427 23.189 -10.741) 25.785 4.832 ( 12.613 -6.696 -0.050) 14.281 5.451 ( -17.844 3.463 -3.104) 18.440 5.743 ( -7.200 -6.787 0.331) 9.901 6.665 ( 11.223 5.750 2.269) 12.813 7.073 ( -1.631 4.056 7.343) 8.545 7.461 ( 2.296 -0.654 -1.471) 2.805 7.613 ( -2.616 -4.363 -3.447) 6.145 10.234 ( 6.478 6.875 0.214) 9.448 10.709 ( 9.878 0.022 6.045) 11.581 11.226 ( -6.503 -13.723 1.877) 15.301 11.699 ( -3.895 6.918 1.093) 8.014 11.958 ( 1.799 -4.217 0.312) 4.595 12.091 ( -2.319 -1.128 -1.865) 3.182 18.023 ( 2.492 0.882 -1.617) 3.099 18.246 ( 0.091 -1.021 0.644) 1.211 18.511 ( 2.261 -1.572 -0.762) 2.857 18.831 ( -3.639 -2.733 -1.178) 4.701 21.120 ( -0.281 0.142 0.772) 0.833 21.197 ( 2.354 -2.428 0.919) 3.505 28.124 ( -2.249 0.847 -0.572) 2.471 28.137 ( 2.107 0.653 0.036) 2.206 36.622 ( 5.898 12.369 -1.559) 13.792 37.301 ( -16.660 -1.388 1.747) 16.808 38.112 ( 6.195 0.550 -3.109) 6.953 39.837 ( -9.046 4.178 -5.445) 11.355 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -8.036 -4.893 -11.970) 15.226 3.116 ( 0.688 -4.656 1.218) 4.861 3.272 ( -11.255 3.380 11.091) 16.159 3.731 ( -8.179 13.072 0.887) 15.446 4.352 ( -1.285 26.954 0.294) 26.986 4.947 ( 5.029 -4.723 -2.990) 7.519 5.351 ( 4.292 9.725 -2.274) 10.871 5.525 ( -6.812 -8.901 -1.750) 11.344 6.745 ( -10.902 2.118 0.659) 11.126 7.104 ( 2.982 2.490 2.807) 4.793 7.461 ( 3.403 -1.862 -0.802) 3.961 7.631 ( 2.445 1.928 0.784) 3.211 10.414 ( 6.544 6.953 -1.215) 9.626 10.794 ( -5.605 -9.076 -1.453) 10.766 10.988 ( 2.606 -7.609 2.048) 8.300 11.801 ( 2.088 7.877 4.294) 9.211 11.936 ( 1.082 -5.358 -0.723) 5.514 12.088 ( 2.572 1.242 2.073) 3.529 18.014 ( -2.484 -1.007 -0.110) 2.682 18.272 ( 3.180 0.829 -0.594) 3.339 18.521 ( 1.598 -3.535 -0.775) 3.956 18.756 ( -1.360 -1.755 -1.485) 2.672 21.124 ( 0.147 0.052 0.725) 0.742 21.211 ( 1.820 -2.935 0.925) 3.575 28.089 ( -2.567 1.179 0.519) 2.872 28.180 ( 2.189 0.169 -1.141) 2.474 36.859 ( 6.916 13.986 -0.837) 15.625 36.991 ( -19.480 0.358 2.149) 19.602 38.128 ( -2.222 -3.116 -1.526) 4.120 39.780 ( -0.062 7.595 -7.003) 10.331 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -15.964 -7.330 -14.033) 22.483 2.995 ( -10.918 -9.807 10.363) 17.966 3.275 ( 3.045 7.612 -0.840) 8.241 3.570 ( -20.250 11.883 -0.801) 23.493 4.551 ( -2.438 12.934 3.159) 13.535 4.943 ( 0.367 -8.835 2.257) 9.126 5.406 ( 6.211 1.177 -0.899) 6.385 5.687 ( 15.297 13.876 -3.638) 20.971 6.487 ( -17.203 -0.360 0.600) 17.217 7.195 ( 1.730 3.302 -0.156) 3.731 7.449 ( -4.303 0.416 -1.870) 4.710 7.736 ( 7.706 -0.913 3.587) 8.549 10.402 ( -10.347 -8.530 -1.579) 13.502 10.666 ( 5.760 3.387 -2.660) 7.193 11.116 ( 11.507 0.437 -1.144) 11.572 11.844 ( -1.637 -0.761 -0.363) 1.841 11.939 ( 0.457 2.246 3.243) 3.971 12.181 ( 4.602 -2.079 3.271) 6.016 17.966 ( -2.418 1.019 2.101) 3.362 18.344 ( 3.986 1.229 -0.818) 4.250 18.462 ( -2.533 -5.132 -2.820) 6.380 18.745 ( 2.017 -1.239 -0.356) 2.394 21.132 ( 0.340 0.160 0.433) 0.573 21.210 ( 1.053 -3.108 0.754) 3.367 28.070 ( -1.492 1.173 1.074) 2.180 28.198 ( 0.820 -0.161 -1.595) 1.801 36.695 ( -16.882 1.438 2.286) 17.097 37.105 ( 6.010 12.387 0.844) 13.794 37.984 ( -7.664 -5.220 -1.292) 9.362 39.893 ( 6.155 9.079 -5.947) 12.477 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -14.280 -4.008 -5.461) 15.805 2.761 ( -8.207 -8.172 1.916) 11.739 3.348 ( -7.652 4.690 0.937) 9.023 3.460 ( 0.446 8.281 1.687) 8.463 4.553 ( -6.934 5.096 -0.830) 8.645 4.845 ( -1.446 -7.021 3.504) 7.979 5.646 ( 16.682 0.428 0.658) 16.700 6.019 ( 9.406 11.204 -2.775) 14.890 6.212 ( -16.540 1.337 1.780) 16.689 7.220 ( -0.986 1.983 -0.941) 2.406 7.347 ( -3.930 -2.033 -2.610) 5.137 7.854 ( 4.532 -1.140 2.348) 5.230 10.169 ( -6.284 -5.290 -1.131) 8.292 10.786 ( 5.721 1.062 -4.010) 7.066 11.338 ( 11.216 5.085 -2.219) 12.513 11.817 ( 0.313 -0.526 -0.339) 0.700 11.978 ( -1.213 3.633 3.782) 5.382 12.168 ( -2.443 -7.172 1.296) 7.687 17.991 ( 0.539 3.873 2.831) 4.828 18.307 ( -4.575 -6.202 -2.096) 7.987 18.433 ( 2.943 2.416 -2.031) 4.315 18.774 ( 2.285 -1.511 1.066) 2.940 21.142 ( 0.311 0.408 0.003) 0.513 21.195 ( 0.311 -2.738 0.421) 2.788 28.068 ( -0.635 0.470 1.004) 1.277 28.195 ( 0.039 0.289 -1.316) 1.348 36.487 ( -10.428 1.491 1.511) 10.642 37.294 ( 4.026 6.520 2.918) 8.199 37.812 ( -5.510 -3.762 -1.352) 6.807 40.056 ( 5.019 8.064 -3.100) 9.991 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 10.182 5.357 13.536) 17.765 2.613 ( 0.279 -6.652 -4.965) 8.306 3.282 ( -2.879 1.733 0.393) 3.383 3.536 ( -0.163 -0.056 2.486) 2.492 4.523 ( -0.767 6.064 2.579) 6.635 4.768 ( -3.540 -3.289 -2.893) 5.632 5.910 ( 9.996 -2.299 2.666) 10.598 5.971 ( -9.335 0.187 0.320) 9.342 6.155 ( 0.082 2.481 -2.233) 3.338 7.225 ( 0.674 0.718 0.724) 1.222 7.286 ( 1.718 -2.478 -4.026) 5.031 7.871 ( -1.713 -1.552 -0.371) 2.341 10.092 ( 0.615 0.188 -0.529) 0.832 10.823 ( 2.191 -2.359 -5.294) 6.196 11.487 ( 2.053 0.395 -1.227) 2.424 11.831 ( -1.276 1.669 0.173) 2.108 12.023 ( -3.932 -5.489 0.461) 6.767 12.033 ( 0.814 5.047 2.106) 5.529 18.006 ( -2.996 -1.928 -1.120) 3.735 18.238 ( 2.042 1.947 0.583) 2.882 18.485 ( 0.794 2.381 0.007) 2.510 18.792 ( 0.476 -1.216 1.856) 2.269 21.147 ( 0.084 -0.301 -0.411) 0.516 21.177 ( -0.091 -0.921 -0.052) 0.927 28.059 ( -0.412 -0.910 -0.000) 0.999 28.203 ( 0.348 1.514 -0.055) 1.555 36.395 ( -1.492 -0.061 -0.080) 1.495 37.385 ( 1.012 -1.382 5.293) 5.563 37.738 ( 0.435 -0.334 -1.730) 1.815 40.164 ( -0.046 6.166 0.546) 6.191 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 22.745 9.871 23.413) 34.102 2.581 ( 5.842 -4.278 -9.269) 11.761 3.298 ( 6.533 -4.110 -2.367) 8.073 3.490 ( -0.968 -6.191 3.763) 7.310 4.571 ( -1.676 -11.997 -3.149) 12.516 4.724 ( 0.735 19.352 -1.509) 19.425 5.694 ( -15.099 -2.564 3.617) 15.737 6.050 ( -4.323 -12.529 -1.095) 13.299 6.198 ( 14.240 3.889 0.872) 14.787 7.223 ( 1.087 -3.791 -1.816) 4.342 7.346 ( 7.458 -0.620 -1.419) 7.617 7.770 ( -7.061 -1.232 -2.903) 7.734 10.187 ( 7.127 6.250 0.074) 9.479 10.766 ( -1.800 -4.359 -5.147) 6.981 11.376 ( -9.663 -6.435 -0.186) 11.611 11.824 ( 0.610 1.435 0.464) 1.627 11.943 ( -3.277 -0.569 1.433) 3.621 12.115 ( -0.436 5.429 -1.936) 5.780 17.923 ( -0.586 -3.127 -1.516) 3.524 18.332 ( 1.909 5.056 -0.043) 5.405 18.509 ( -0.751 2.200 1.922) 3.016 18.788 ( -1.199 -0.295 2.259) 2.575 21.132 ( -0.207 -1.540 -0.708) 1.707 21.178 ( -0.237 1.418 -0.558) 1.542 28.045 ( 0.425 -1.292 -0.431) 1.426 28.227 ( 0.056 1.694 0.676) 1.825 36.442 ( 8.274 -1.162 -1.125) 8.431 37.344 ( -3.283 -8.549 5.935) 10.913 37.804 ( 6.809 2.191 -1.846) 7.387 40.176 ( -5.657 4.142 4.257) 8.203 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 6.763 -0.797 -9.411) 11.616 2.757 ( 10.205 7.753 17.231) 21.474 3.289 ( 2.173 -12.946 -2.085) 13.292 3.588 ( 17.887 -6.902 3.057) 19.414 4.369 ( -0.525 -12.462 -7.843) 14.734 4.955 ( -0.345 19.892 1.575) 19.958 5.484 ( -6.222 -3.703 4.148) 8.345 5.784 ( -9.264 -15.387 1.986) 18.070 6.499 ( 16.089 2.566 1.281) 16.342 7.161 ( -1.943 -6.886 -2.602) 7.613 7.444 ( 4.659 -1.475 -1.332) 5.065 7.625 ( -5.452 0.402 -3.521) 6.503 10.429 ( 9.326 8.957 0.162) 12.931 10.655 ( -2.472 -1.470 -3.358) 4.421 11.117 ( -12.604 -5.460 -1.381) 13.805 11.834 ( -1.498 -5.862 -0.327) 6.059 11.912 ( -1.047 5.444 0.682) 5.586 12.091 ( -3.590 1.520 -1.839) 4.310 17.939 ( 4.210 0.437 0.298) 4.243 18.358 ( -2.717 2.221 0.053) 3.509 18.529 ( -1.127 2.964 1.212) 3.395 18.775 ( -1.630 0.747 1.642) 2.431 21.110 ( -0.040 -1.397 -0.999) 1.718 21.184 ( -0.665 1.919 -0.744) 2.163 28.050 ( 1.724 -0.952 -0.220) 1.982 28.235 ( -1.222 0.963 0.772) 1.737 36.638 ( 16.206 -0.502 -1.125) 16.253 37.182 ( -6.206 -13.299 5.566) 15.696 37.954 ( 8.456 2.518 -3.124) 9.359 40.113 ( -8.486 2.656 7.471) 11.614 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 7.922 0.065 -15.926) 17.787 2.943 ( -0.043 -0.490 11.030) 11.041 3.156 ( 0.396 -12.425 -5.145) 13.454 3.767 ( 6.664 -6.455 5.839) 10.962 4.347 ( 16.517 -16.033 -1.000) 23.041 5.030 ( -12.433 14.188 2.078) 18.979 5.459 ( 6.139 -14.136 5.385) 16.325 5.595 ( -0.680 3.270 1.264) 3.571 6.732 ( 8.699 -3.718 -0.153) 9.462 6.988 ( -7.358 -6.328 -4.154) 10.557 7.478 ( -0.131 5.897 0.895) 5.966 7.592 ( 2.769 -2.820 -2.310) 4.578 10.410 ( -5.837 -7.486 -1.527) 9.615 10.758 ( -6.887 3.939 -3.864) 8.825 10.934 ( 3.277 10.380 -1.157) 10.947 11.711 ( -2.002 -6.327 -1.268) 6.756 11.957 ( 0.689 0.303 0.858) 1.142 12.078 ( 0.736 2.799 1.420) 3.224 18.045 ( 4.273 3.037 1.838) 5.555 18.305 ( -4.156 -1.396 1.415) 4.607 18.532 ( -2.458 3.530 -0.059) 4.302 18.771 ( -0.188 2.085 -0.678) 2.201 21.096 ( 0.512 -1.241 -1.044) 1.701 21.184 ( -1.170 1.866 -0.683) 2.306 28.080 ( 2.538 -0.648 -0.096) 2.622 28.212 ( -2.558 0.133 0.845) 2.697 36.912 ( 5.267 -5.130 -0.219) 7.355 36.981 ( 6.725 -9.319 4.454) 12.324 38.064 ( 4.020 1.250 -5.557) 6.972 40.052 ( -5.932 2.834 9.399) 11.470 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 3.114 -17.354 -16.505) 24.151 2.885 ( -5.254 0.001 -2.741) 5.926 3.143 ( 6.471 2.697 -0.731) 7.049 3.845 ( 5.289 -3.208 8.794) 10.752 4.480 ( 16.784 -21.818 6.072) 28.189 4.855 ( -19.664 9.842 2.522) 22.133 5.541 ( 14.387 -9.356 3.224) 17.461 5.714 ( 3.287 8.284 -2.063) 9.148 6.645 ( -9.154 -6.485 1.462) 11.313 6.851 ( -0.541 -4.999 -6.462) 8.188 7.484 ( -3.750 -3.006 -0.113) 4.807 7.696 ( 7.353 7.790 1.292) 10.790 10.203 ( -8.036 -7.742 -1.710) 11.289 10.545 ( -8.479 -2.702 -3.977) 9.747 11.170 ( 2.480 14.217 -1.015) 14.467 11.708 ( 6.158 -1.209 0.941) 6.345 11.962 ( 1.203 -2.081 0.699) 2.504 12.159 ( 3.140 3.446 2.503) 5.291 18.096 ( -2.828 -1.354 3.046) 4.372 18.239 ( -1.264 0.006 0.173) 1.275 18.521 ( -2.854 3.709 -0.123) 4.682 18.819 ( 3.372 3.644 -2.071) 5.380 21.094 ( 1.255 -1.156 -0.806) 1.887 21.175 ( -1.514 1.528 -0.430) 2.194 28.108 ( 1.454 -1.336 -0.704) 2.096 28.174 ( -2.060 0.502 1.444) 2.565 36.698 ( -6.755 -13.431 2.945) 15.319 37.267 ( 16.262 0.662 0.213) 16.277 38.054 ( -1.260 -0.351 -6.812) 6.936 40.073 ( -1.522 4.358 8.704) 9.852 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 16.734 2.169 -1.631) 16.952 3.008 ( 1.200 11.454 4.531) 12.376 3.449 ( -3.033 -4.572 -14.443) 15.450 3.729 ( 16.182 -2.945 -5.346) 17.295 4.170 ( -6.639 -2.477 7.245) 10.134 4.818 ( -10.247 6.899 -2.641) 12.633 5.826 ( 3.322 -9.104 1.021) 9.744 5.858 ( 7.999 -5.073 5.329) 10.868 6.351 ( -6.726 13.044 -5.725) 15.753 6.926 ( 9.771 3.010 7.288) 12.556 7.336 ( 3.092 2.537 1.557) 4.292 7.776 ( -2.623 -8.967 -4.278) 10.275 10.129 ( -1.537 10.631 2.836) 11.110 10.461 ( 4.242 -0.484 5.308) 6.812 11.260 ( 1.451 -10.040 3.548) 10.747 11.895 ( -3.489 0.235 1.096) 3.665 11.934 ( 0.049 -0.532 -2.072) 2.139 12.191 ( -3.321 -2.844 -3.666) 5.706 17.922 ( 1.645 2.180 -1.429) 3.083 18.304 ( -3.391 1.871 1.062) 4.016 18.516 ( -2.674 0.353 0.957) 2.862 18.918 ( -0.388 -3.087 -1.720) 3.555 21.105 ( 2.202 -1.193 0.036) 2.505 21.161 ( -1.198 0.473 0.199) 1.303 28.052 ( 1.431 -0.135 -0.674) 1.587 28.218 ( -1.862 1.231 1.014) 2.452 36.455 ( 3.871 6.763 -1.585) 7.952 37.616 ( -1.042 -0.268 1.284) 1.676 37.796 ( 9.569 -5.575 -6.966) 13.083 40.218 ( -10.970 2.063 3.488) 11.695 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 7.722 -1.495 -3.531) 8.621 3.183 ( -2.069 -3.137 -4.148) 5.598 3.320 ( 6.901 10.299 6.118) 13.825 3.882 ( -4.057 0.617 -1.950) 4.543 4.211 ( 11.162 13.045 -3.623) 17.547 4.720 ( -4.380 1.822 -0.983) 4.845 5.608 ( -8.504 -8.503 -3.587) 12.549 5.952 ( -6.968 1.742 3.139) 7.839 6.493 ( 11.320 9.668 0.017) 14.887 7.138 ( 5.940 4.916 6.513) 10.093 7.387 ( -0.898 -7.037 1.560) 7.264 7.610 ( -2.584 -2.627 -4.276) 5.645 10.247 ( 1.705 10.890 1.121) 11.080 10.585 ( 7.685 -1.643 5.702) 9.709 11.164 ( -1.540 -15.145 3.528) 15.627 11.805 ( -4.068 -2.138 0.860) 4.676 11.935 ( -0.922 3.349 -2.692) 4.395 12.101 ( -1.710 -1.874 -2.177) 3.343 17.987 ( 2.887 3.235 -1.882) 4.727 18.267 ( -2.671 0.450 1.051) 2.906 18.490 ( -0.864 -0.304 0.455) 1.023 18.844 ( -2.553 -4.546 -1.241) 5.359 21.125 ( 0.893 -0.537 0.211) 1.063 21.154 ( 0.394 -0.602 0.436) 0.841 28.087 ( 2.584 0.560 -0.725) 2.741 28.192 ( -2.827 0.863 0.710) 3.040 36.634 ( 6.405 12.764 -1.344) 14.344 37.505 ( -8.282 -3.766 -0.819) 9.135 37.926 ( 10.609 -1.779 -2.711) 11.093 40.035 ( -12.366 0.834 -0.007) 12.394 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -2.392 -3.939 -5.725) 7.349 3.062 ( -1.365 -3.774 -3.472) 5.307 3.551 ( -7.422 4.007 10.505) 13.473 3.835 ( 5.020 5.615 0.069) 7.532 4.541 ( 5.695 18.504 -6.730) 20.497 4.736 ( 7.673 -3.718 3.324) 9.151 5.435 ( -3.384 4.853 -5.345) 7.973 5.735 ( -19.413 0.249 1.930) 19.510 6.788 ( 9.673 5.432 1.260) 11.165 7.147 ( -8.434 -7.154 1.058) 11.110 7.312 ( 7.576 -2.171 1.770) 8.077 7.627 ( 1.322 1.970 -1.461) 2.787 10.398 ( 3.770 9.983 -0.804) 10.701 10.712 ( 6.843 -3.870 1.972) 8.105 10.930 ( -7.238 -16.895 1.437) 18.436 11.799 ( 4.022 -1.387 2.285) 4.829 11.924 ( -2.839 3.616 -1.321) 4.784 12.095 ( 1.189 1.977 0.696) 2.410 18.035 ( 0.228 1.723 -0.820) 1.922 18.248 ( -0.037 0.641 0.206) 0.675 18.482 ( 0.164 -0.755 0.036) 0.774 18.752 ( -2.139 -4.060 -1.138) 4.728 21.129 ( -0.119 0.231 0.252) 0.362 21.163 ( 1.487 -1.642 0.405) 2.252 28.133 ( 1.771 1.060 -0.769) 2.203 28.154 ( -2.133 0.205 0.591) 2.223 36.880 ( 6.739 14.308 -0.493) 15.823 37.288 ( -13.680 -1.343 0.879) 13.774 38.028 ( 5.809 -5.458 -2.506) 8.356 39.871 ( -6.968 2.753 -1.666) 7.675 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -12.615 -1.742 -9.101) 15.652 3.023 ( 0.243 -8.187 4.883) 9.536 3.394 ( -10.782 2.058 1.647) 11.099 3.941 ( -6.633 9.170 -3.509) 11.849 4.694 ( 2.714 5.772 3.480) 7.266 4.808 ( 2.904 -7.136 2.816) 8.202 5.412 ( -12.660 -3.412 1.140) 13.161 5.638 ( 10.632 19.935 -2.759) 22.761 6.735 ( -12.243 -2.220 0.065) 12.443 7.150 ( 6.501 1.502 -2.224) 7.033 7.432 ( 6.551 -1.331 1.414) 6.833 7.621 ( 0.269 -3.397 0.271) 3.419 10.486 ( -7.410 -2.880 -1.794) 8.150 10.606 ( 0.215 -2.644 -1.481) 3.038 10.902 ( 12.196 -2.293 -1.044) 12.454 11.827 ( 1.017 -4.012 -1.523) 4.410 11.958 ( 1.542 4.396 3.075) 5.582 12.160 ( 1.491 2.725 3.018) 4.331 18.031 ( -1.959 2.027 1.566) 3.225 18.288 ( 3.459 1.434 -0.452) 3.772 18.459 ( -2.220 -1.523 -1.125) 2.918 18.695 ( 0.616 -3.457 -0.883) 3.621 21.132 ( 0.106 0.321 0.075) 0.346 21.171 ( 1.104 -1.716 0.237) 2.055 28.114 ( -2.175 0.230 0.802) 2.330 28.174 ( 1.524 0.608 -0.911) 1.877 36.987 ( -12.380 0.793 0.908) 12.439 37.168 ( 0.953 12.986 2.551) 13.268 37.968 ( -1.555 -10.288 -3.357) 10.933 39.868 ( 2.424 5.470 -1.046) 6.074 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -16.497 2.892 -6.836) 18.090 2.832 ( -11.555 -13.549 2.871) 18.037 3.369 ( 2.645 2.719 -1.556) 4.100 3.791 ( -17.695 10.624 0.717) 20.652 4.700 ( -6.955 -3.283 2.176) 7.993 4.808 ( 2.865 -3.391 5.618) 7.160 5.356 ( 9.338 -4.034 0.655) 10.193 5.969 ( 8.302 9.578 -1.105) 12.723 6.525 ( -13.162 5.415 0.562) 14.244 7.205 ( 2.222 -1.073 -5.384) 5.922 7.414 ( -7.046 0.086 -1.859) 7.288 7.676 ( 10.810 -8.416 3.548) 14.152 10.235 ( -9.015 -6.111 -1.170) 10.954 10.674 ( 5.103 0.124 -4.964) 7.120 11.156 ( 15.762 5.897 -2.329) 16.989 11.796 ( 0.316 -1.644 -1.180) 2.048 12.022 ( 0.817 0.618 2.489) 2.691 12.184 ( -2.574 -0.298 3.222) 4.135 18.056 ( -0.426 5.184 3.212) 6.113 18.340 ( -4.885 -2.590 -0.343) 5.540 18.385 ( 2.925 1.786 -2.589) 4.295 18.701 ( 3.759 -3.213 0.366) 4.959 21.137 ( 0.338 -0.196 -0.339) 0.517 21.171 ( 0.508 -0.791 -0.003) 0.940 28.088 ( -1.291 -0.611 0.670) 1.578 28.193 ( 0.490 1.058 -0.565) 1.296 36.743 ( -16.054 1.149 1.951) 16.213 37.335 ( 1.936 8.668 3.369) 9.499 37.795 ( -2.788 -11.257 -3.467) 12.104 40.012 ( 6.843 5.646 1.143) 8.945 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -5.922 11.373 7.353) 14.782 2.519 ( -6.187 -13.220 -7.259) 16.302 3.383 ( -2.794 -1.117 -1.031) 3.181 3.650 ( -10.944 6.064 6.375) 14.042 4.569 ( -2.445 -8.325 5.353) 10.195 4.830 ( -2.872 6.816 -0.917) 7.453 5.538 ( 16.589 -9.247 1.454) 19.048 6.030 ( -0.933 -6.604 -0.894) 6.730 6.415 ( -11.975 12.770 0.049) 17.506 7.169 ( 2.255 -6.488 -8.059) 10.589 7.291 ( -6.111 1.960 0.454) 6.433 7.763 ( 7.166 -9.380 1.758) 11.934 10.099 ( -2.308 -0.795 -0.938) 2.615 10.710 ( 4.102 -2.377 -7.248) 8.661 11.438 ( 7.849 7.441 -3.110) 11.254 11.817 ( 3.253 -0.302 0.294) 3.280 12.013 ( -0.452 -3.095 0.324) 3.144 12.130 ( -4.636 1.952 4.173) 6.535 18.086 ( -6.666 1.753 0.651) 6.923 18.239 ( 0.655 2.875 -0.548) 2.999 18.471 ( 3.596 1.832 0.965) 4.150 18.744 ( 3.773 -2.572 1.098) 4.697 21.131 ( 0.217 -1.329 -0.843) 1.589 21.178 ( 0.222 1.140 -0.389) 1.225 28.061 ( -1.053 -1.261 0.109) 1.646 28.212 ( 0.499 1.547 0.239) 1.643 36.515 ( -11.960 0.131 0.966) 12.000 37.412 ( -1.226 1.240 5.137) 5.425 37.666 ( 1.589 -8.655 -2.938) 9.277 40.181 ( 5.132 4.277 4.154) 7.867 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 13.473 13.924 20.031) 27.868 2.345 ( 5.710 -10.434 -12.697) 17.398 3.279 ( -5.158 -3.337 -1.178) 6.255 3.542 ( -8.322 -2.381 6.605) 10.888 4.461 ( -1.259 -14.241 -0.347) 14.301 4.911 ( -0.753 19.142 1.084) 19.187 5.629 ( 7.075 -23.489 0.774) 24.544 5.939 ( 0.860 -1.446 -1.002) 1.958 6.321 ( -11.017 8.082 1.648) 13.763 7.097 ( 3.748 -9.200 -8.752) 13.239 7.272 ( 0.462 1.950 1.092) 2.282 7.742 ( 1.500 -10.370 -0.478) 10.489 10.139 ( 5.166 4.983 -0.090) 7.178 10.694 ( 1.676 -3.089 -8.024) 8.760 11.457 ( -6.417 -1.815 -2.317) 7.059 11.816 ( -0.270 -2.545 0.145) 2.563 12.034 ( -1.505 3.116 3.908) 5.220 12.154 ( 1.542 6.347 -1.061) 6.617 17.946 ( -6.083 -1.171 -1.253) 6.320 18.350 ( 3.054 7.034 0.209) 7.671 18.540 ( 1.315 1.828 2.934) 3.698 18.780 ( 2.092 -1.659 1.536) 3.080 21.113 ( -0.019 -1.424 -1.379) 1.983 21.194 ( 0.050 2.158 -0.834) 2.314 28.034 ( -0.634 -1.009 -0.140) 1.200 28.240 ( 0.619 1.360 0.714) 1.656 36.379 ( -2.965 -1.465 0.082) 3.308 37.365 ( -4.614 -6.815 6.503) 10.489 37.661 ( 7.231 -5.046 -2.841) 9.264 40.290 ( -0.016 2.723 7.526) 8.004 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 12.060 -8.983 -15.492) 21.590 2.691 ( 18.818 7.401 22.662) 30.372 3.149 ( -1.646 -7.595 -3.800) 8.651 3.437 ( -2.806 -2.535 5.693) 6.834 4.245 ( -4.187 -15.431 -5.398) 16.875 5.129 ( 1.782 11.148 4.783) 12.261 5.418 ( 0.450 -17.493 -0.574) 17.509 5.891 ( -9.485 -0.674 -1.565) 9.637 6.345 ( 6.253 4.557 5.314) 9.387 7.031 ( 4.546 -10.582 -8.238) 14.161 7.331 ( 4.553 -0.258 0.615) 4.602 7.625 ( -1.495 -10.446 -2.523) 10.850 10.359 ( 10.441 9.620 0.729) 14.216 10.640 ( 0.103 -0.586 -6.096) 6.125 11.246 ( -11.018 -5.426 -2.305) 12.496 11.802 ( 0.069 -3.218 0.984) 3.365 12.028 ( -4.640 4.302 3.411) 7.188 12.183 ( -4.548 4.899 -4.189) 7.889 17.899 ( 1.075 1.576 0.198) 1.919 18.423 ( -1.309 3.631 0.146) 3.863 18.586 ( -0.412 3.721 2.067) 4.276 18.797 ( 0.312 -0.788 1.817) 2.005 21.091 ( -0.086 -1.226 -1.877) 2.244 21.210 ( -0.347 2.518 -1.119) 2.778 28.025 ( 0.434 -0.227 0.072) 0.495 28.259 ( -0.161 0.641 0.725) 0.981 36.409 ( 8.538 -1.491 0.158) 8.669 37.199 ( -7.325 -12.471 6.457) 15.839 37.764 ( 11.043 -3.609 -3.563) 12.152 40.306 ( -5.671 1.582 10.805) 12.305 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 11.203 -11.737 -15.152) 22.200 2.863 ( 1.245 -11.960 -4.493) 12.837 3.182 ( 0.475 4.917 10.425) 11.536 3.522 ( 14.667 -4.819 5.994) 16.561 4.029 ( 0.572 -16.629 0.144) 16.639 5.089 ( 7.732 -23.936 4.837) 25.614 5.465 ( -7.560 16.585 -0.988) 18.254 5.704 ( -7.218 4.368 0.123) 8.438 6.544 ( 9.404 -1.864 3.436) 10.184 6.948 ( 1.289 -9.462 -6.525) 11.566 7.425 ( 5.474 -1.225 2.202) 6.026 7.508 ( 2.773 -7.345 -4.559) 9.079 10.436 ( -4.107 -2.330 -3.899) 6.123 10.843 ( 11.096 17.067 1.850) 20.441 10.990 ( -9.753 -3.666 -4.390) 11.306 11.708 ( -5.916 -7.622 1.232) 9.727 11.995 ( -3.984 3.042 -2.541) 5.620 12.130 ( -2.529 3.127 1.556) 4.312 18.004 ( 5.962 5.035 1.846) 8.018 18.381 ( -5.351 -1.105 1.843) 5.766 18.615 ( -1.933 5.131 -0.207) 5.487 18.793 ( -0.889 0.337 0.289) 0.993 21.070 ( 0.206 -1.192 -2.033) 2.365 21.218 ( -0.923 2.400 -1.160) 2.821 28.044 ( 1.427 0.353 0.312) 1.503 28.251 ( -1.514 -0.131 0.677) 1.664 36.631 ( 17.477 0.331 0.469) 17.487 36.959 ( -8.280 -15.104 5.740) 18.156 37.891 ( 10.374 -4.427 -5.899) 12.729 40.259 ( -8.023 1.789 13.503) 15.808 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 5.111 -25.360 -15.526) 30.171 2.825 ( 8.981 0.979 -13.682) 16.396 3.181 ( -6.965 0.458 8.199) 10.768 3.769 ( 9.462 -2.161 10.984) 14.658 3.981 ( 14.855 -21.938 5.415) 27.042 5.123 ( 18.644 -19.465 1.292) 26.984 5.301 ( -19.481 8.215 3.406) 21.415 5.795 ( 0.284 15.123 -3.482) 15.521 6.599 ( 3.273 -9.665 1.680) 10.342 6.836 ( -2.949 -4.152 -5.193) 7.273 7.398 ( 2.990 -11.077 -1.344) 11.552 7.651 ( 9.320 6.514 -0.395) 11.377 10.282 ( -8.369 -2.625 -2.618) 9.153 10.676 ( -13.067 -2.351 -6.722) 14.882 11.261 ( 5.180 16.395 3.129) 17.476 11.582 ( 4.057 -6.852 3.891) 8.863 11.954 ( -1.149 0.821 -2.974) 3.293 12.168 ( 0.971 3.163 3.000) 4.466 18.154 ( 0.878 4.673 3.449) 5.874 18.265 ( -4.016 -2.940 0.796) 5.040 18.619 ( -3.264 4.845 -0.035) 5.842 18.795 ( 1.060 1.985 -2.130) 3.099 21.058 ( 0.919 -1.243 -1.689) 2.289 21.214 ( -1.464 1.955 -0.960) 2.624 28.074 ( 1.350 0.053 -0.016) 1.351 28.219 ( -2.085 -0.174 1.093) 2.360 36.699 ( -7.270 -13.571 3.102) 15.705 36.975 ( 19.610 1.459 1.442) 19.717 37.937 ( 5.632 -7.001 -8.547) 12.401 40.238 ( -5.548 4.060 14.463) 16.014 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 20.556 3.816 2.075) 21.010 2.967 ( 12.040 -14.025 7.261) 19.859 3.352 ( 5.104 17.752 -18.383) 26.060 3.521 ( 0.762 -8.778 1.771) 8.987 4.142 ( 4.225 -5.182 0.777) 6.731 5.181 ( -14.981 11.124 1.528) 18.722 5.360 ( 27.220 -10.549 2.738) 29.321 5.875 ( -7.562 -7.520 -0.567) 10.680 6.526 ( -2.020 8.175 -6.257) 10.491 6.784 ( 12.353 1.206 6.212) 13.879 7.311 ( 4.847 1.973 3.236) 6.153 7.669 ( 2.176 -8.653 -6.001) 10.753 10.300 ( -0.409 7.193 4.549) 8.521 10.503 ( -6.683 10.515 2.661) 12.740 11.144 ( 0.736 -12.671 3.734) 13.231 11.891 ( 3.570 -0.385 -4.721) 5.931 11.956 ( -5.010 -3.761 5.402) 8.272 12.205 ( -2.954 -1.254 -3.173) 4.513 17.938 ( -1.161 4.018 -2.302) 4.774 18.406 ( -4.776 2.685 1.211) 5.611 18.590 ( -4.542 0.341 1.371) 4.757 18.864 ( 1.491 -3.593 -1.602) 4.207 21.055 ( 2.347 -0.986 0.083) 2.547 21.194 ( -1.843 0.704 0.004) 1.973 28.037 ( 0.001 0.340 -0.646) 0.729 28.254 ( -0.662 0.544 1.073) 1.373 36.444 ( 4.519 7.296 -1.957) 8.803 37.448 ( 8.103 -14.555 -9.170) 19.016 37.643 ( 8.439 4.406 4.044) 10.343 40.431 ( -9.973 1.163 3.842) 10.751 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 11.920 0.414 2.697) 12.229 3.121 ( 14.542 -7.133 8.462) 18.274 3.256 ( -5.431 -1.386 -10.307) 11.733 3.781 ( 14.635 12.961 -8.113) 21.166 4.175 ( 4.821 0.184 3.248) 5.816 4.977 ( -18.506 8.884 -0.358) 20.531 5.620 ( -1.059 -7.287 -3.854) 8.312 5.765 ( 16.601 -9.551 3.151) 19.409 6.577 ( -1.015 13.131 -4.047) 13.778 7.029 ( 10.925 -1.271 5.466) 12.282 7.394 ( -0.758 1.133 3.603) 3.853 7.587 ( -0.189 -4.724 -2.700) 5.444 10.390 ( 0.183 7.697 3.325) 8.387 10.522 ( -2.482 5.591 4.144) 7.389 11.040 ( 0.227 -14.537 3.130) 14.872 11.819 ( -2.993 -7.134 1.027) 7.804 11.959 ( 2.412 3.468 -2.925) 5.138 12.115 ( -3.992 -0.943 -2.912) 5.031 17.982 ( 1.248 5.754 -2.491) 6.393 18.346 ( -4.620 0.900 0.925) 4.797 18.530 ( -3.330 -0.032 0.964) 3.467 18.817 ( -0.896 -5.417 -0.586) 5.522 21.086 ( 2.200 -0.806 0.326) 2.366 21.171 ( -1.517 0.346 0.165) 1.565 28.055 ( 1.601 0.995 -0.460) 1.940 28.239 ( -1.813 -0.086 0.519) 1.888 36.641 ( 7.155 13.410 -1.295) 15.254 37.399 ( 7.063 -13.401 -8.166) 17.209 37.820 ( 4.701 4.278 5.389) 8.333 40.245 ( -12.398 -1.340 -0.223) 12.473 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 3.050 -2.533 3.746) 5.455 3.084 ( -6.032 -0.108 -6.445) 8.828 3.443 ( 21.195 -5.537 5.012) 22.472 3.883 ( -4.913 0.870 -1.707) 5.273 4.478 ( 15.381 15.430 0.091) 21.786 4.776 ( -10.073 2.585 -0.475) 10.411 5.502 ( -2.896 2.805 -3.032) 5.045 5.889 ( 2.608 -7.648 -2.068) 8.341 6.726 ( 5.242 11.471 1.250) 12.674 7.087 ( 0.906 -14.398 0.647) 14.441 7.331 ( -5.242 3.059 2.257) 6.475 7.606 ( 2.756 1.696 -0.081) 3.237 10.491 ( 0.360 10.140 0.997) 10.196 10.561 ( 3.638 -3.525 2.951) 5.863 10.881 ( -4.480 -14.735 2.222) 15.560 11.744 ( 0.297 -3.673 1.256) 3.893 12.013 ( -1.950 6.149 -3.118) 7.164 12.066 ( 2.612 -0.427 -0.762) 2.754 18.041 ( 0.987 4.025 -1.814) 4.524 18.289 ( -3.245 0.648 0.397) 3.333 18.492 ( -1.307 -0.247 0.399) 1.388 18.739 ( -1.975 -4.534 0.125) 4.947 21.115 ( 1.741 -0.466 0.288) 1.825 21.152 ( -0.939 -0.077 0.125) 0.950 28.100 ( 2.388 1.321 -0.296) 2.745 28.200 ( -2.472 -0.677 0.183) 2.569 36.901 ( 7.144 14.036 0.046) 15.749 37.337 ( 2.565 -8.845 -5.485) 10.719 37.923 ( 1.388 0.011 4.172) 4.397 40.026 ( -10.416 -0.579 -1.684) 10.567 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -5.715 1.088 1.579) 6.028 2.971 ( -1.934 -3.012 -3.170) 4.782 3.580 ( -6.076 -7.346 3.231) 10.066 3.883 ( 10.519 1.409 -1.155) 10.676 4.632 ( -0.066 -3.077 -2.198) 3.782 4.825 ( 2.454 8.781 1.859) 9.305 5.626 ( 8.001 13.713 0.137) 15.877 5.684 ( -15.457 -6.189 -0.157) 16.650 6.836 ( -4.216 -4.563 -1.099) 6.309 7.014 ( 8.424 0.829 1.815) 8.657 7.323 ( 1.807 -2.115 -0.982) 2.950 7.637 ( -1.480 0.801 0.230) 1.699 10.569 ( 0.182 2.398 -0.112) 2.407 10.604 ( -5.539 -8.718 0.117) 10.330 10.676 ( 5.665 -2.927 0.012) 6.377 11.753 ( 2.468 -2.082 -0.239) 3.238 12.015 ( -1.618 4.379 0.524) 4.698 12.152 ( 4.347 2.807 -0.301) 5.183 18.076 ( -0.015 2.877 -0.006) 2.877 18.267 ( 0.191 0.868 -0.003) 0.889 18.479 ( -0.422 -0.269 0.019) 0.500 18.668 ( -2.401 -2.862 -0.010) 3.736 21.136 ( -0.040 0.382 -0.049) 0.387 21.141 ( 0.892 -0.821 0.049) 1.213 28.147 ( -0.246 -0.204 -0.162) 0.358 28.154 ( -0.002 0.417 0.162) 0.447 37.082 ( 1.278 1.932 0.166) 2.322 37.304 ( 0.086 6.090 -0.284) 6.097 37.882 ( -3.355 -7.543 0.139) 8.256 39.912 ( -3.002 2.576 -0.022) 3.956 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -14.671 4.879 -5.029) 16.259 2.887 ( -5.555 -10.312 4.220) 12.450 3.382 ( -5.593 -2.859 -1.831) 6.543 4.028 ( 1.196 3.946 -2.572) 4.859 4.601 ( 3.985 -13.616 3.861) 14.703 4.873 ( -4.177 7.873 -0.045) 8.913 5.385 ( -11.804 -1.769 3.790) 12.523 5.886 ( 8.422 1.805 1.571) 8.755 6.727 ( -5.308 3.468 -1.015) 6.422 7.131 ( 0.979 1.375 -6.283) 6.506 7.375 ( 11.619 -8.881 3.636) 15.069 7.572 ( -6.479 0.597 -0.334) 6.515 10.340 ( -10.712 -6.902 0.018) 12.743 10.586 ( 2.128 -1.083 -2.845) 3.714 10.909 ( 16.992 4.561 -1.544) 17.661 11.763 ( 1.105 -0.789 -2.000) 2.417 12.034 ( -0.907 1.265 1.444) 2.123 12.225 ( 0.916 1.721 0.548) 2.026 18.116 ( 0.683 4.686 1.559) 4.985 18.317 ( 4.045 1.045 0.701) 4.236 18.447 ( -5.168 1.279 -0.794) 5.383 18.613 ( 0.875 -3.714 0.043) 3.816 21.126 ( -0.098 -0.832 -0.561) 1.008 21.160 ( 0.876 0.738 -0.142) 1.155 28.105 ( -1.631 -1.347 0.229) 2.128 28.190 ( 1.137 1.209 0.084) 1.662 36.992 ( -9.510 -1.376 0.602) 9.628 37.423 ( 0.402 8.768 4.668) 9.941 37.693 ( -4.208 -12.973 -4.599) 14.393 39.972 ( 4.369 4.103 3.360) 6.871 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -8.226 7.872 -2.839) 11.734 2.564 ( -16.980 -12.783 -0.880) 21.272 3.349 ( 1.967 -2.792 -1.241) 3.633 3.970 ( -12.169 5.201 2.479) 13.465 4.482 ( -0.176 -18.791 3.632) 19.140 4.937 ( 1.305 9.557 3.249) 10.179 5.324 ( 1.428 -1.180 3.362) 3.839 5.918 ( 2.705 -11.783 -1.616) 12.197 6.683 ( -7.535 7.591 -0.675) 10.717 7.049 ( -1.580 -5.742 -9.140) 10.909 7.451 ( -8.643 2.418 -0.271) 8.979 7.518 ( 11.139 -9.613 4.972) 15.531 10.151 ( -5.979 -1.990 -0.210) 6.305 10.593 ( 2.787 -2.017 -5.082) 6.137 11.288 ( 19.009 9.599 -2.665) 21.462 11.765 ( 1.186 -0.351 -1.650) 2.062 12.001 ( -2.248 -3.477 0.458) 4.165 12.225 ( -2.385 1.300 1.473) 3.090 18.213 ( 1.989 7.438 2.079) 7.975 18.308 ( -10.576 1.462 -2.186) 10.898 18.413 ( 5.332 0.287 2.429) 5.866 18.641 ( 5.137 -2.844 0.664) 5.910 21.112 ( 0.005 -1.151 -1.178) 1.646 21.183 ( 0.615 1.671 -0.519) 1.855 28.071 ( -1.247 -1.210 0.339) 1.770 28.217 ( 0.699 1.047 0.313) 1.297 36.774 ( -15.883 0.545 0.863) 15.916 37.461 ( -0.328 -9.803 6.012) 11.505 37.531 ( -0.697 -2.128 -4.936) 5.420 40.136 ( 6.963 3.153 6.826) 10.248 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 0.505 -12.468 -11.713) 17.115 2.267 ( -3.053 9.514 10.515) 14.505 3.299 ( -2.995 -5.123 -1.672) 6.166 3.784 ( -14.908 0.048 7.716) 16.787 4.317 ( 0.494 -17.180 -0.548) 17.196 5.118 ( 0.965 18.734 4.727) 19.345 5.305 ( 2.916 -20.196 0.969) 20.428 5.841 ( 4.888 -7.500 -2.571) 9.314 6.587 ( -10.727 4.343 0.268) 11.576 6.914 ( 0.173 -8.976 -9.608) 13.149 7.341 ( -5.364 0.568 -0.812) 5.455 7.579 ( 4.454 -10.741 4.865) 12.605 10.114 ( 1.746 2.527 0.224) 3.080 10.591 ( 2.612 -1.600 -6.696) 7.363 11.537 ( -1.840 5.288 -3.988) 6.874 11.780 ( 1.623 -2.913 0.151) 3.338 12.002 ( 8.437 2.131 -0.394) 8.711 12.211 ( -2.050 2.862 1.599) 3.867 18.102 ( -12.234 2.245 -0.934) 12.473 18.360 ( 4.133 6.807 -0.679) 7.992 18.520 ( 4.692 0.502 5.147) 6.983 18.710 ( 4.556 -1.229 0.572) 4.753 21.093 ( -0.013 -1.057 -1.972) 2.238 21.208 ( 0.426 2.375 -0.969) 2.600 28.044 ( -1.124 -0.454 0.414) 1.281 28.240 ( 0.854 0.685 0.466) 1.190 36.514 ( -13.756 -0.747 0.335) 13.780 37.385 ( 1.975 -12.792 3.561) 13.424 37.485 ( -0.449 -3.744 -0.371) 3.789 40.307 ( 5.087 1.511 10.233) 11.527 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 8.973 -14.270 -17.795) 24.511 2.551 ( 12.794 -0.038 15.793) 20.325 3.161 ( -6.178 -1.975 -1.350) 6.625 3.592 ( -10.544 -0.550 7.246) 12.805 4.143 ( -2.701 -14.059 -2.902) 14.607 4.976 ( -1.721 -36.178 -3.189) 36.359 5.411 ( 4.749 20.389 4.635) 21.442 5.927 ( 5.438 1.041 0.073) 5.537 6.441 ( -8.603 1.584 3.383) 9.379 6.794 ( 2.939 -10.888 -9.787) 14.932 7.282 ( 0.698 -2.888 -2.498) 3.882 7.513 ( -1.017 -12.421 4.615) 13.290 10.266 ( 10.057 6.542 1.069) 12.045 10.590 ( 2.129 1.061 -6.162) 6.605 11.378 ( -11.509 -3.413 -2.573) 12.277 11.769 ( 0.693 -3.355 0.599) 3.478 12.144 ( -0.936 4.093 3.287) 5.332 12.259 ( 1.204 8.008 -5.336) 9.698 17.963 ( -6.205 3.519 0.178) 7.135 18.460 ( 1.609 3.497 -0.236) 3.857 18.623 ( 2.097 3.334 4.037) 5.640 18.766 ( 2.822 -0.846 1.030) 3.121 21.071 ( -0.094 -0.802 -2.853) 2.965 21.232 ( 0.090 2.720 -1.355) 3.040 28.032 ( -0.616 0.745 0.555) 1.115 28.260 ( 0.692 0.097 0.419) 0.815 36.349 ( -3.492 -1.765 0.841) 4.002 37.246 ( -7.277 -12.154 6.632) 15.642 37.500 ( 10.044 -8.130 -2.967) 13.259 40.422 ( 0.238 0.257 13.572) 13.577 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 14.753 -14.654 -17.447) 27.144 2.630 ( 5.245 -21.196 -4.483) 22.291 3.166 ( 4.579 1.334 12.791) 13.651 3.506 ( -5.884 3.752 1.817) 7.211 3.937 ( -4.035 -13.867 4.651) 15.172 4.641 ( 8.880 -35.720 -4.139) 37.039 5.698 ( 2.426 20.057 1.167) 20.237 5.893 ( -9.884 1.103 -0.034) 9.945 6.451 ( 3.335 0.296 5.303) 6.272 6.727 ( 7.102 -9.284 -7.610) 13.948 7.277 ( 7.449 -10.347 -5.480) 13.877 7.391 ( -2.073 -7.570 6.020) 9.892 10.439 ( 1.562 2.177 -5.611) 6.218 10.762 ( 15.422 12.390 4.605) 20.311 11.122 ( -12.274 -4.170 -4.272) 13.649 11.723 ( -2.012 -6.510 1.434) 6.963 12.137 ( -7.102 5.136 0.213) 8.768 12.238 ( -6.436 5.452 -3.998) 9.334 17.986 ( 2.724 6.107 1.662) 6.890 18.466 ( -3.619 -0.383 2.268) 4.288 18.684 ( -0.542 4.853 -0.173) 4.887 18.799 ( 0.872 -0.155 1.174) 1.470 21.046 ( -0.083 -0.787 -3.379) 3.470 21.248 ( -0.481 2.603 -1.500) 3.043 28.044 ( 0.133 1.696 0.694) 1.837 28.265 ( -0.238 -0.496 0.296) 0.624 36.397 ( 9.873 -0.520 1.805) 10.050 36.998 ( -9.831 -14.431 6.167) 18.518 37.600 ( 12.721 -8.823 -4.613) 16.154 40.456 ( -4.817 0.104 16.400) 17.094 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 4.267 -26.125 -15.300) 30.575 2.513 ( 12.565 -13.835 -13.909) 23.297 3.331 ( 1.197 -4.299 14.771) 15.431 3.485 ( 9.462 -3.317 1.650) 10.162 3.829 ( -1.266 -9.831 12.009) 15.571 4.562 ( 18.714 -24.874 -7.649) 32.054 5.663 ( -14.287 1.629 5.505) 15.397 5.931 ( 1.098 16.735 -6.177) 17.872 6.471 ( 1.579 -6.831 2.402) 7.411 6.756 ( 3.970 -3.795 -4.295) 6.972 7.202 ( 4.162 -16.396 -1.496) 16.982 7.494 ( 12.065 2.196 1.418) 12.345 10.387 ( -5.683 2.606 -5.266) 8.175 10.841 ( -13.047 -2.309 -8.710) 15.856 11.254 ( 19.289 14.861 8.735) 25.869 11.563 ( -8.422 -9.835 4.277) 13.636 12.012 ( -7.502 4.321 -4.545) 9.778 12.222 ( -1.725 3.739 2.519) 4.827 18.158 ( 6.825 8.047 2.519) 10.849 18.353 ( -8.469 -3.840 2.467) 9.620 18.707 ( -1.759 4.350 -0.799) 4.760 18.803 ( -0.763 1.409 -1.274) 2.047 21.023 ( 0.471 -1.067 -2.951) 3.173 21.250 ( -1.145 2.126 -1.311) 2.748 28.069 ( 0.286 1.691 0.501) 1.786 28.247 ( -1.171 -0.684 0.481) 1.439 36.661 ( 15.489 0.963 0.586) 15.530 36.727 ( -5.599 -12.783 5.520) 15.008 37.673 ( 9.923 -11.005 -7.191) 16.470 40.452 ( -6.066 2.217 17.538) 18.690 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 23.432 5.413 9.056) 25.698 2.526 ( 22.954 -16.244 8.539) 29.388 3.367 ( 4.088 8.008 -11.095) 14.281 3.509 ( -5.483 -3.440 -0.624) 6.503 4.022 ( 3.142 -3.478 -5.365) 7.124 4.587 ( 42.695 -12.204 1.946) 44.448 5.648 ( -15.216 11.291 7.494) 20.376 5.926 ( -7.808 -8.824 -4.018) 12.449 6.506 ( 5.321 -0.233 -0.724) 5.376 6.661 ( 6.163 5.228 -0.267) 8.086 7.198 ( 13.576 0.505 5.091) 14.508 7.503 ( 3.152 -6.165 -8.835) 11.225 10.349 ( -1.106 1.026 5.916) 6.105 10.836 ( -7.512 23.360 -4.142) 24.886 11.042 ( -1.567 -14.015 5.729) 15.222 11.762 ( 6.130 -4.429 -3.485) 8.327 12.067 ( -10.230 -5.291 7.169) 13.567 12.239 ( -3.398 0.343 -2.103) 4.010 18.017 ( -3.814 6.013 -2.537) 7.559 18.491 ( -2.666 -0.949 -0.947) 2.985 18.675 ( -4.309 0.540 0.973) 4.450 18.811 ( 0.353 -1.579 -0.080) 1.620 21.011 ( 2.085 -0.715 1.028) 2.432 21.235 ( -2.075 0.667 0.328) 2.204 28.054 ( -1.599 0.897 -0.641) 1.942 28.262 ( 0.300 -0.193 0.654) 0.745 36.430 ( 4.756 8.567 -2.529) 10.120 37.102 ( 8.547 -17.332 -7.693) 20.800 37.529 ( 13.345 4.909 4.843) 15.022 40.599 ( -8.101 -0.149 -1.881) 8.318 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 17.400 2.222 10.511) 20.449 2.761 ( 16.439 -11.307 7.976) 21.487 3.333 ( -7.918 -1.812 -7.160) 10.828 3.623 ( 15.553 14.358 -8.148) 22.681 4.050 ( 8.012 -3.060 -2.513) 8.937 5.140 ( 31.474 -5.787 -2.172) 32.075 5.443 ( -21.271 5.015 2.376) 21.983 5.699 ( -6.675 -6.269 0.289) 9.162 6.604 ( 5.567 4.572 -4.548) 8.520 6.854 ( 10.017 -1.394 5.706) 11.612 7.430 ( 6.070 4.377 5.015) 9.009 7.482 ( 3.677 -2.256 -4.485) 6.223 10.365 ( 1.172 -3.567 5.305) 6.499 10.826 ( -10.414 3.718 4.945) 12.113 10.960 ( -3.585 4.274 -1.328) 5.735 11.746 ( 2.223 -8.899 -3.697) 9.890 11.945 ( -1.430 -1.721 3.467) 4.126 12.169 ( -3.699 0.694 -3.181) 4.928 18.038 ( -1.370 8.340 -2.736) 8.884 18.405 ( -2.887 -3.918 -1.366) 5.055 18.606 ( -5.103 0.477 0.929) 5.208 18.787 ( -0.853 -2.926 1.297) 3.312 21.046 ( 2.110 -0.424 1.003) 2.374 21.206 ( -2.074 0.305 0.452) 2.144 28.049 ( 0.169 1.303 -0.395) 1.372 28.255 ( -0.669 -1.009 0.054) 1.212 36.645 ( 7.574 14.598 -1.354) 16.502 37.058 ( 9.907 -15.795 -7.407) 20.062 37.794 ( 8.690 4.717 6.947) 12.084 40.406 ( -10.305 -2.894 -5.562) 12.062 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 5.770 2.110 13.263) 14.617 2.997 ( 21.156 -10.641 5.920) 24.410 3.163 ( -6.363 -0.163 -7.781) 10.053 3.872 ( 5.103 3.766 -7.597) 9.897 4.328 ( 20.237 10.921 1.334) 23.034 5.052 ( -20.354 -2.545 -0.998) 20.537 5.547 ( 14.894 1.468 -6.200) 16.199 5.595 ( 1.561 -3.548 1.289) 4.084 6.737 ( 5.981 4.856 -0.885) 7.755 6.933 ( 2.965 -10.771 2.985) 11.564 7.491 ( -6.268 6.105 -0.247) 8.753 7.552 ( 5.787 0.432 2.446) 6.297 10.377 ( 4.546 -7.935 2.885) 9.589 10.690 ( -5.228 -7.013 5.024) 10.087 10.926 ( -9.142 10.458 -0.134) 13.892 11.704 ( 1.889 -3.715 -0.249) 4.175 11.973 ( 3.898 0.209 -1.289) 4.111 12.109 ( -3.392 3.016 -2.707) 5.284 18.077 ( -1.060 5.726 -2.471) 6.326 18.326 ( -1.407 -3.522 -1.391) 4.040 18.528 ( -4.132 -0.675 0.536) 4.221 18.750 ( -1.907 -0.925 2.197) 3.053 21.082 ( 1.952 -0.106 0.687) 2.073 21.176 ( -1.792 -0.037 0.303) 1.818 28.079 ( 1.676 1.592 -0.022) 2.312 28.221 ( -1.595 -1.714 -0.452) 2.385 36.902 ( 6.992 7.882 0.611) 10.554 37.073 ( 11.143 -6.110 -7.343) 14.677 37.962 ( 1.947 2.671 7.921) 8.583 40.171 ( -10.077 -2.293 -6.136) 12.019 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -0.929 3.365 14.981) 15.383 3.003 ( -6.092 -0.683 -11.384) 12.929 3.300 ( 20.382 -12.267 6.531) 24.669 3.881 ( -2.002 1.889 -2.668) 3.833 4.649 ( -4.974 -0.743 -1.600) 5.278 4.833 ( 7.474 5.415 -1.965) 9.436 5.590 ( 2.024 0.512 1.620) 2.642 5.740 ( 5.033 2.787 -4.965) 7.600 6.780 ( 0.209 -11.116 -2.169) 11.328 6.925 ( 6.287 -0.175 6.700) 9.189 7.382 ( -9.299 2.491 -3.253) 10.162 7.654 ( 2.197 2.777 1.113) 3.712 10.393 ( 7.431 -11.138 1.228) 13.445 10.575 ( -2.549 -8.049 2.609) 8.837 10.857 ( -11.090 11.121 0.756) 15.724 11.719 ( 0.993 0.446 0.746) 1.320 12.056 ( 5.521 0.051 -1.068) 5.623 12.097 ( -0.760 5.589 -2.958) 6.369 18.097 ( 0.132 2.960 -1.542) 3.341 18.271 ( -0.588 -2.669 -1.105) 2.948 18.470 ( -1.439 -1.751 0.548) 2.331 18.729 ( -3.310 2.627 2.070) 4.705 21.116 ( 1.628 0.242 0.296) 1.673 21.149 ( -1.267 -0.272 -0.021) 1.296 28.130 ( 2.180 1.527 0.376) 2.688 28.169 ( -1.922 -2.046 -0.631) 2.877 36.971 ( 6.779 -10.781 -1.950) 12.884 37.277 ( 8.390 11.744 -2.284) 14.613 37.965 ( -6.874 -1.633 5.880) 9.192 40.001 ( -5.695 1.125 -3.007) 6.538 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -12.937 4.693 4.618) 14.516 2.860 ( -0.794 -5.769 -2.703) 6.420 3.391 ( 0.890 -11.333 1.739) 11.500 3.920 ( 6.343 1.439 2.243) 6.880 4.485 ( -2.601 -9.022 -3.192) 9.917 4.994 ( 1.203 8.146 -4.887) 9.575 5.557 ( -5.837 -3.414 0.877) 6.819 5.792 ( 0.710 -2.389 5.140) 5.712 6.744 ( 4.684 0.133 -3.345) 5.757 7.083 ( 10.693 -5.521 7.485) 14.172 7.218 ( -8.438 -0.534 -5.280) 9.968 7.675 ( -3.066 3.439 -1.416) 4.820 10.394 ( -0.799 -9.840 1.990) 10.071 10.495 ( 4.310 -4.885 -0.256) 6.519 10.821 ( -3.343 9.519 -0.250) 10.092 11.741 ( 0.451 1.413 -0.739) 1.657 12.084 ( -1.716 1.814 0.267) 2.511 12.182 ( 5.022 2.410 -3.252) 6.450 18.133 ( 1.937 2.513 -1.417) 3.475 18.263 ( 2.590 -1.344 0.606) 2.980 18.456 ( 1.158 -1.278 0.991) 1.989 18.690 ( -6.610 3.931 1.389) 7.815 21.122 ( -0.651 -0.798 -0.502) 1.146 21.151 ( 1.186 1.049 -0.117) 1.588 28.117 ( -1.553 -1.945 -0.437) 2.527 28.179 ( 1.693 1.180 0.666) 2.168 36.956 ( 5.169 -10.767 -1.694) 12.063 37.485 ( 4.294 9.017 0.040) 9.988 37.760 ( -14.630 -6.035 1.866) 15.935 39.985 ( 0.662 3.848 2.695) 4.744 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -15.428 -0.236 -4.931) 16.199 2.724 ( -10.562 -9.320 1.912) 14.216 3.294 ( -0.444 -3.849 1.326) 4.095 4.049 ( 5.664 -2.336 1.281) 6.259 4.323 ( -2.913 -14.832 -1.377) 15.177 5.043 ( -1.022 8.481 1.784) 8.726 5.443 ( -8.299 3.637 3.771) 9.814 5.729 ( 1.500 -15.182 -0.457) 15.263 6.800 ( -1.029 3.135 -1.855) 3.785 7.018 ( -4.829 -9.119 -6.154) 12.014 7.270 ( 10.131 -3.854 6.431) 12.604 7.618 ( -6.463 4.279 -2.332) 8.095 10.247 ( -7.008 -3.432 1.401) 7.928 10.543 ( 1.283 -0.319 0.184) 1.335 11.006 ( 17.983 6.242 -2.324) 19.177 11.755 ( 0.024 1.894 -1.795) 2.610 12.034 ( -4.489 -1.986 -0.721) 4.961 12.241 ( 1.573 1.349 -2.023) 2.896 18.202 ( 4.749 2.247 -2.411) 5.781 18.332 ( 4.676 0.252 2.572) 5.342 18.486 ( -0.594 2.640 0.868) 2.841 18.602 ( -6.478 2.138 2.082) 7.132 21.099 ( -0.480 -0.974 -1.233) 1.643 21.183 ( 1.093 1.681 -0.514) 2.070 28.078 ( -0.930 -1.367 0.008) 1.653 28.214 ( 0.915 0.725 0.742) 1.383 36.916 ( 0.647 -7.181 -0.873) 7.263 37.419 ( -14.523 -9.548 -2.844) 17.611 37.584 ( -0.709 2.808 3.519) 4.558 40.102 ( 4.929 3.687 8.024) 10.113 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -11.069 -12.145 -7.253) 17.962 2.449 ( -9.272 -3.315 1.496) 9.960 3.285 ( -0.135 -2.597 3.186) 4.112 4.030 ( -10.428 -1.586 2.370) 10.811 4.106 ( 2.683 -17.848 -2.455) 18.215 5.129 ( -2.826 -11.342 6.204) 13.233 5.328 ( -3.342 6.146 0.442) 7.009 5.665 ( 5.056 -2.746 -1.594) 5.970 6.745 ( -6.036 -0.009 -0.500) 6.057 6.821 ( -3.311 -9.825 -7.147) 12.592 7.338 ( 1.008 -8.537 1.830) 8.789 7.556 ( -3.755 2.640 1.656) 4.880 10.150 ( -3.375 1.092 1.786) 3.972 10.542 ( -0.581 1.197 -1.654) 2.122 11.442 ( 22.013 7.369 -2.495) 23.347 11.758 ( -1.621 3.036 -3.228) 4.718 11.905 ( -2.358 -6.126 -0.671) 6.599 12.258 ( -0.230 1.782 -0.596) 1.893 18.303 ( 6.856 0.371 -2.623) 7.350 18.350 ( -10.817 4.775 -2.710) 12.131 18.486 ( 2.178 3.802 7.661) 8.826 18.632 ( 4.470 0.788 1.809) 4.886 21.075 ( -0.265 -0.904 -2.229) 2.420 21.215 ( 0.890 2.236 -0.952) 2.588 28.059 ( -0.591 -0.261 0.507) 0.821 28.234 ( 0.607 0.265 0.581) 0.880 36.777 ( -13.809 -0.565 -0.688) 13.838 37.150 ( 1.388 -15.632 -2.574) 15.903 37.553 ( -5.124 -3.070 4.457) 7.453 40.277 ( 6.153 1.917 12.254) 13.845 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -5.705 -18.170 -14.504) 23.939 2.397 ( 5.036 -12.946 6.250) 15.232 3.277 ( -2.995 5.456 4.301) 7.566 3.772 ( -10.863 -8.096 2.179) 13.722 4.036 ( 0.836 -6.762 -1.341) 6.944 4.659 ( -11.221 -40.854 -8.350) 43.182 5.565 ( 4.651 17.770 8.906) 20.414 5.796 ( 9.368 3.258 0.176) 9.920 6.603 ( -8.817 -3.628 1.740) 9.692 6.654 ( -1.618 -8.356 -7.498) 11.343 7.211 ( -2.819 -9.329 -3.542) 10.369 7.518 ( -3.815 -3.623 6.346) 8.244 10.194 ( 4.516 4.192 2.471) 6.639 10.551 ( 1.139 2.795 -2.621) 3.997 11.536 ( -10.858 -1.729 -2.156) 11.204 11.716 ( 1.389 -4.537 -0.972) 4.843 12.085 ( 16.195 8.510 -3.225) 18.576 12.276 ( 0.449 3.884 -1.301) 4.121 18.175 ( -12.792 5.838 -0.570) 14.073 18.408 ( 6.488 -0.583 -1.018) 6.593 18.625 ( 4.113 4.300 5.566) 8.147 18.718 ( 3.267 0.980 1.043) 3.567 21.050 ( -0.126 -0.575 -3.546) 3.595 21.245 ( 0.592 2.538 -1.338) 2.929 28.058 ( -0.542 1.264 0.853) 1.618 28.247 ( 0.747 -0.223 0.276) 0.827 36.501 ( -14.940 -0.447 -0.074) 14.947 37.102 ( 9.158 -15.640 -0.505) 18.131 37.411 ( -7.147 -7.682 4.125) 11.275 40.450 ( 4.499 0.097 15.883) 16.508 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 12.071 -17.914 -19.364) 29.011 2.288 ( 3.776 -29.032 -0.265) 29.278 3.294 ( -8.824 3.481 8.338) 12.629 3.611 ( -3.328 -1.124 -2.147) 4.116 3.892 ( -5.786 -26.254 9.896) 28.647 4.144 ( 5.571 -22.891 -13.767) 27.286 5.801 ( 2.979 11.444 -0.013) 11.826 5.984 ( 3.418 2.958 3.036) 5.445 6.442 ( -2.496 -6.753 4.239) 8.355 6.555 ( 1.785 -3.165 -4.475) 5.764 7.069 ( -0.177 -9.946 -5.014) 11.140 7.424 ( -4.877 -6.295 8.004) 11.291 10.369 ( 7.410 4.583 -1.369) 8.820 10.660 ( 9.304 7.185 3.071) 12.150 11.279 ( -13.294 -3.902 -3.443) 14.276 11.671 ( 0.111 -7.667 0.777) 7.707 12.256 ( -0.809 4.924 1.608) 5.243 12.370 ( 0.047 11.067 -8.971) 14.246 18.076 ( -5.490 6.888 1.257) 8.898 18.484 ( 2.657 -1.111 1.360) 3.185 18.724 ( 0.585 3.234 0.852) 3.395 18.780 ( 2.536 1.331 2.227) 3.628 21.023 ( -0.180 -0.331 -4.810) 4.824 21.269 ( 0.078 2.449 -1.495) 2.871 28.073 ( -0.426 2.603 0.937) 2.799 28.255 ( 0.562 -0.645 -0.027) 0.856 36.338 ( -3.004 -0.653 2.007) 3.671 37.035 ( -4.296 -15.066 5.368) 16.561 37.295 ( 6.484 -10.302 -2.271) 12.383 40.576 ( 0.413 -0.695 18.811) 18.828 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 10.627 -21.719 -16.053) 29.023 2.025 ( 9.189 -28.912 -15.020) 33.852 3.165 ( 5.856 -27.237 17.928) 33.130 3.454 ( -1.052 -9.344 2.552) 9.743 3.778 ( 2.292 -8.106 4.432) 9.518 4.123 ( 6.019 -1.557 -10.742) 12.411 5.841 ( -4.226 -7.135 5.501) 9.951 5.982 ( -0.687 9.109 -8.167) 12.254 6.421 ( 3.346 -5.805 -1.407) 6.847 6.652 ( 5.319 1.512 2.546) 6.087 6.969 ( 2.216 -9.144 -1.356) 9.506 7.375 ( 3.227 -3.776 6.019) 7.804 10.452 ( -0.262 6.097 -6.504) 8.919 10.985 ( -11.761 -3.070 -7.284) 14.170 11.063 ( 19.573 7.998 9.883) 23.340 11.572 ( -2.357 -10.819 2.362) 11.322 12.255 ( -9.577 8.424 -1.665) 12.863 12.326 ( -6.545 7.076 -2.504) 9.958 18.150 ( 3.936 8.215 2.194) 9.370 18.457 ( -5.237 -3.094 3.011) 6.787 18.747 ( 0.025 2.160 -1.195) 2.469 18.828 ( -0.269 2.437 0.081) 2.453 20.992 ( 0.043 -0.710 -4.623) 4.678 21.279 ( -0.619 2.024 -1.265) 2.466 28.099 ( -0.514 2.993 0.729) 3.123 28.251 ( -0.167 -0.843 -0.122) 0.868 36.433 ( 11.822 1.782 3.072) 12.344 36.772 ( -10.514 -14.088 4.860) 18.239 37.343 ( 11.525 -12.291 -5.047) 17.588 40.641 ( -3.504 0.802 19.103) 19.438 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.000 -0.000 28.930) 28.930 0.886 ( 0.000 -0.000 28.930) 28.930 1.507 ( 0.000 -0.000 49.003) 49.003 3.422 ( -0.000 0.000 -6.642) 6.642 3.422 ( -0.000 0.000 -6.642) 6.642 5.430 ( -0.000 0.000 -4.334) 4.334 5.430 ( -0.000 0.000 -4.334) 4.334 5.804 ( -0.000 0.000 -6.804) 6.804 6.329 ( 0.000 -0.000 4.934) 4.934 6.329 ( 0.000 -0.000 4.934) 4.934 6.839 ( -0.000 0.000 -5.313) 5.313 7.250 ( 0.000 -0.000 0.140) 0.140 10.663 ( -0.000 0.000 -5.162) 5.162 10.663 ( -0.000 0.000 -5.162) 5.162 11.078 ( 0.000 -0.000 3.508) 3.508 11.078 ( 0.000 -0.000 3.508) 3.508 12.479 ( 0.000 -0.000 0.009) 0.009 12.597 ( -0.000 0.000 -1.078) 1.078 18.391 ( -0.000 0.000 -1.254) 1.254 18.391 ( -0.000 0.000 -1.254) 1.254 18.760 ( 0.000 -0.000 1.611) 1.611 18.760 ( 0.000 -0.000 1.611) 1.611 21.372 ( 0.000 -0.000 2.691) 2.691 22.229 ( -0.000 0.000 -2.158) 2.158 28.228 ( 0.000 -0.000 0.174) 0.174 28.271 ( -0.000 0.000 -0.255) 0.255 36.411 ( -0.000 0.000 -4.088) 4.088 36.411 ( -0.000 0.000 -4.088) 4.088 36.811 ( 0.000 -0.000 4.467) 4.467 36.811 ( 0.000 -0.000 4.467) 4.467 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 22.263 -9.453 18.641) 30.536 1.292 ( 6.979 -2.355 32.458) 33.284 2.188 ( 27.630 31.775 31.410) 52.533 3.240 ( -7.594 2.634 -10.694) 13.378 3.610 ( 12.403 2.299 -5.788) 13.879 4.951 ( -27.925 -15.326 10.346) 33.493 5.364 ( 0.036 1.023 -6.500) 6.580 5.845 ( 12.939 1.652 -2.294) 13.244 6.308 ( -0.246 -6.245 4.459) 7.678 6.733 ( 9.222 12.099 -1.886) 15.329 6.790 ( 0.774 2.499 -7.699) 8.131 7.300 ( 5.187 4.972 0.940) 7.246 10.625 ( 14.233 -15.102 -8.374) 22.378 10.845 ( -4.363 -4.302 -4.473) 7.586 10.941 ( 3.484 16.430 0.090) 16.795 11.289 ( 4.215 8.572 5.676) 11.111 12.413 ( -7.351 -3.687 -1.734) 8.405 12.523 ( -6.598 -2.755 -0.792) 7.194 18.355 ( -0.724 -2.074 -0.986) 2.408 18.388 ( -1.947 3.038 -1.313) 3.839 18.753 ( 0.750 -1.384 -0.730) 1.736 18.793 ( 0.647 -0.523 1.183) 1.446 21.353 ( -3.146 -1.785 2.778) 4.561 21.814 ( -23.820 -13.629 13.540) 30.602 28.191 ( -3.093 -1.744 0.034) 3.550 28.238 ( -1.061 -0.897 0.015) 1.389 36.437 ( -0.811 2.668 -3.404) 4.401 36.588 ( 7.037 14.360 -1.886) 16.102 36.869 ( 12.971 -6.325 3.127) 14.766 37.923 ( 70.164 41.186 -45.214) 93.078 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 29.914 -10.180 13.566) 34.388 1.586 ( 13.904 5.011 20.828) 25.539 2.950 ( 10.914 21.141 2.254) 23.899 3.216 ( 7.222 12.452 0.890) 14.422 3.748 ( 2.281 2.588 -5.126) 6.178 4.663 ( -3.143 -1.477 16.179) 16.548 5.331 ( -0.407 -2.018 -9.360) 9.584 6.020 ( 9.128 0.244 -7.947) 12.105 6.300 ( 2.518 -5.130 2.695) 6.318 6.743 ( 3.843 -0.563 -2.001) 4.370 6.947 ( 0.988 8.235 4.266) 9.327 7.531 ( 10.033 11.684 -0.246) 15.402 10.634 ( -9.151 -5.535 -0.509) 10.707 10.692 ( 17.066 -20.305 -6.477) 27.304 11.228 ( 7.880 18.222 -5.973) 20.732 11.396 ( -7.459 6.676 10.716) 14.664 12.146 ( -10.421 -6.422 -4.301) 12.974 12.401 ( -6.044 -1.710 1.227) 6.400 18.278 ( -3.951 -3.974 0.039) 5.604 18.412 ( -1.274 6.906 -1.695) 7.224 18.728 ( -0.961 -2.567 -2.340) 3.604 18.785 ( 1.102 -3.684 0.023) 3.846 21.260 ( -6.058 -3.202 3.993) 7.931 21.509 ( -10.116 -5.883 10.658) 15.828 28.123 ( -2.547 -1.458 -0.892) 3.067 28.215 ( -0.805 -0.812 -0.284) 1.178 36.416 ( -1.815 1.646 -2.074) 3.210 36.869 ( 4.545 21.708 1.906) 22.260 37.128 ( 23.639 -8.216 1.754) 25.088 38.915 ( 39.769 23.534 -47.990) 66.622 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 18.351 -0.689 19.673) 26.912 2.043 ( 26.565 1.979 -1.610) 26.687 3.162 ( 11.434 6.049 -6.985) 14.701 3.548 ( 3.982 16.423 -0.688) 16.913 3.686 ( -8.252 5.384 -0.119) 9.854 4.901 ( 10.248 11.966 13.765) 20.921 5.205 ( -1.067 -9.428 -9.082) 13.134 6.162 ( 10.277 1.651 -4.949) 11.526 6.234 ( -3.532 -3.592 -2.030) 5.431 6.889 ( 11.111 0.142 0.918) 11.150 7.033 ( -0.957 4.090 7.515) 8.609 7.790 ( 7.081 9.933 -0.811) 12.225 10.429 ( -9.534 -4.316 0.451) 10.476 10.700 ( 7.907 -19.374 -3.963) 21.298 11.266 ( -12.181 -0.162 10.017) 15.772 11.476 ( 6.077 13.912 -4.973) 15.975 12.051 ( 2.714 0.560 -1.662) 3.232 12.292 ( -6.212 -0.233 1.338) 6.359 18.164 ( -4.965 -3.381 0.222) 6.011 18.423 ( -4.266 4.986 -0.553) 6.585 18.643 ( -2.791 -4.800 -3.446) 6.535 18.792 ( 3.863 -2.045 -0.904) 4.464 21.168 ( -3.848 -1.802 3.568) 5.549 21.384 ( -5.553 -3.416 5.387) 8.457 28.079 ( -0.762 -0.588 -0.858) 1.289 28.189 ( -1.118 -0.716 -0.761) 1.531 36.400 ( -1.230 2.150 -1.411) 2.850 37.153 ( 3.799 19.096 2.966) 19.695 37.478 ( 24.378 -6.961 0.814) 25.366 39.376 ( 20.979 13.829 -33.129) 41.580 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 14.842 0.541 12.951) 19.705 2.425 ( 20.609 -1.404 -9.586) 22.773 3.329 ( 1.126 2.088 -4.819) 5.371 3.604 ( 8.078 5.277 -7.696) 12.342 3.817 ( 0.912 17.473 7.248) 18.939 5.016 ( -4.693 -2.013 -6.224) 8.051 5.278 ( 10.973 8.505 6.614) 15.378 6.084 ( -3.784 -6.374 -1.289) 7.523 6.364 ( 7.284 4.091 -2.363) 8.682 7.011 ( -1.051 -1.177 7.755) 7.914 7.107 ( 7.238 -0.926 0.246) 7.301 7.927 ( 1.005 5.844 -1.836) 6.207 10.227 ( -10.263 -2.654 0.187) 10.602 10.572 ( -0.940 -13.189 4.695) 14.031 11.224 ( 3.906 -3.683 4.234) 6.837 11.651 ( 3.791 9.410 -3.232) 10.647 12.117 ( 1.283 2.161 1.066) 2.730 12.211 ( -4.542 2.327 -0.249) 5.110 18.059 ( -4.566 -1.750 0.651) 4.934 18.363 ( -5.401 0.495 0.077) 5.424 18.532 ( -1.875 -4.672 -3.807) 6.312 18.855 ( 4.289 0.786 -1.294) 4.549 21.129 ( -1.392 -0.482 2.075) 2.545 21.292 ( -4.288 -2.644 2.662) 5.698 28.079 ( 1.172 0.069 0.169) 1.186 28.156 ( -1.495 -0.295 -1.390) 2.063 36.400 ( -0.780 2.447 -0.959) 2.741 37.386 ( 3.706 12.389 2.954) 13.264 37.769 ( 16.757 -5.434 -2.783) 17.834 39.647 ( 13.858 10.253 -17.641) 24.666 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 9.510 -3.740 3.956) 10.958 2.554 ( 4.588 -6.221 -9.862) 12.530 3.349 ( 5.244 4.905 -9.615) 12.001 3.776 ( 8.796 -0.357 -6.087) 10.702 4.051 ( 2.350 16.555 8.326) 18.679 4.899 ( -7.311 1.965 -1.375) 7.694 5.591 ( 14.194 8.789 3.883) 17.140 5.975 ( -2.838 -4.089 0.821) 5.044 6.389 ( -4.359 -2.290 -4.260) 6.511 6.981 ( -3.197 -3.581 9.610) 10.743 7.209 ( 6.400 -2.154 -1.122) 6.846 7.945 ( -2.676 4.299 -2.114) 5.487 10.067 ( -5.652 -2.609 1.896) 6.508 10.506 ( 0.216 -6.353 6.771) 9.287 11.301 ( 6.344 -3.958 2.752) 7.968 11.765 ( 3.286 4.975 -1.664) 6.191 12.093 ( -6.437 1.154 2.709) 7.078 12.202 ( 0.091 3.886 -3.784) 5.425 17.986 ( -3.864 0.083 1.389) 4.107 18.280 ( -2.681 -1.536 -0.608) 3.149 18.473 ( 0.693 -2.023 -2.157) 3.037 18.916 ( 2.535 0.691 -1.876) 3.228 21.124 ( -0.012 0.159 0.925) 0.939 21.214 ( -3.424 -2.040 1.237) 4.173 28.097 ( -0.729 -0.801 1.046) 1.506 28.140 ( 1.381 1.263 -1.479) 2.385 36.407 ( -0.892 2.339 -0.646) 2.585 37.540 ( 2.779 4.995 2.792) 6.362 37.889 ( 6.044 -3.937 -7.757) 10.593 39.895 ( 11.954 8.262 -5.076) 15.392 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -12.413 -6.932 1.861) 14.339 2.627 ( 18.511 -9.323 -13.494) 24.732 3.398 ( -0.231 -1.142 -8.660) 8.738 3.806 ( -0.922 2.431 -7.921) 8.336 4.323 ( 3.301 16.681 12.211) 20.935 4.771 ( -5.867 -0.111 -2.492) 6.375 5.892 ( 5.997 -2.341 2.402) 6.872 5.919 ( -0.418 -5.388 5.621) 7.797 6.232 ( -4.089 6.578 -6.363) 10.024 6.927 ( -3.289 -6.986 8.751) 11.671 7.273 ( 3.319 -0.272 -0.763) 3.417 7.906 ( -4.716 2.194 -2.323) 5.697 10.019 ( 1.262 -1.484 2.650) 3.289 10.489 ( -1.028 -3.285 6.191) 7.084 11.359 ( 1.692 -1.975 3.170) 4.100 11.846 ( 3.235 1.327 -1.026) 3.644 12.001 ( -5.103 0.368 1.344) 5.290 12.220 ( -0.209 3.382 -3.780) 5.077 17.940 ( -3.442 1.821 1.161) 4.064 18.264 ( 2.428 -0.498 -0.310) 2.497 18.493 ( 3.010 0.635 -0.292) 3.090 18.926 ( 0.257 -1.305 -2.794) 3.094 21.126 ( -1.130 -0.679 0.262) 1.344 21.161 ( -0.827 -0.409 0.599) 1.100 28.066 ( -1.772 -0.152 -0.284) 1.801 28.190 ( 2.693 0.801 0.495) 2.853 36.406 ( -1.432 2.008 -0.548) 2.526 37.601 ( 1.086 -2.097 2.812) 3.672 37.831 ( -3.490 -2.041 -10.683) 11.422 40.152 ( 10.779 6.325 1.687) 12.611 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -14.006 -11.481 3.643) 18.473 2.802 ( 21.417 -9.840 -18.479) 29.950 3.228 ( -11.793 -3.921 0.162) 12.429 3.752 ( -8.140 9.194 -5.290) 13.371 4.339 ( -15.425 -0.059 7.064) 16.966 4.938 ( 19.720 9.174 -0.224) 21.750 5.610 ( -21.395 -15.719 2.887) 26.706 5.917 ( 2.487 -1.956 0.023) 3.165 6.402 ( 6.388 10.358 -3.739) 12.731 6.814 ( -5.807 -8.638 7.994) 13.124 7.300 ( -0.254 -0.024 -0.061) 0.262 7.795 ( -7.430 -1.056 -4.137) 8.570 10.109 ( 8.993 -1.143 2.169) 9.321 10.473 ( -0.924 -1.218 5.532) 5.740 11.350 ( -4.501 2.514 4.070) 6.568 11.862 ( -0.391 -1.492 -2.709) 3.118 11.995 ( 2.813 0.289 4.031) 4.924 12.222 ( -0.588 2.427 -3.217) 4.072 17.926 ( -1.615 4.110 -0.007) 4.416 18.339 ( 5.686 0.562 0.862) 5.778 18.572 ( 4.081 2.322 0.464) 4.718 18.876 ( -1.264 -3.428 -3.679) 5.185 21.080 ( -2.343 -1.379 0.503) 2.765 21.179 ( 1.436 0.853 0.190) 1.681 28.041 ( -0.947 0.516 -0.567) 1.218 28.238 ( 1.831 0.065 0.888) 2.036 36.391 ( -2.059 1.738 -0.738) 2.794 37.562 ( -1.774 -8.427 3.003) 9.120 37.646 ( -9.729 -0.315 -10.847) 14.574 40.385 ( 9.009 4.661 2.367) 10.416 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -12.407 -15.802 9.954) 22.421 2.757 ( -7.789 -16.172 -10.696) 20.896 3.155 ( 5.819 6.290 -1.394) 8.681 3.664 ( -9.339 7.917 -1.913) 12.392 4.107 ( -9.659 -3.980 1.825) 10.605 4.928 ( -34.639 -20.370 2.595) 40.268 5.433 ( 19.822 8.984 1.958) 21.851 5.954 ( 4.754 -2.023 -3.648) 6.324 6.501 ( -1.081 5.830 -4.472) 7.427 6.660 ( -7.071 -7.196 7.622) 12.644 7.241 ( -5.752 -4.440 2.954) 7.844 7.608 ( -9.030 -1.226 -7.764) 11.971 10.265 ( 9.510 -3.878 1.445) 10.371 10.527 ( 6.376 -0.215 2.052) 6.702 11.320 ( -7.881 8.037 5.198) 12.398 11.795 ( -3.133 -3.059 -2.809) 5.203 12.117 ( 7.035 1.716 6.765) 9.910 12.230 ( 0.941 2.365 -1.549) 2.980 17.971 ( 1.060 6.560 -0.920) 6.709 18.448 ( 5.288 -0.101 1.335) 5.455 18.660 ( 3.366 2.285 -0.783) 4.143 18.801 ( -0.425 -3.714 -3.418) 5.066 21.036 ( -1.886 -1.044 1.592) 2.680 21.219 ( 1.925 1.076 0.454) 2.251 28.042 ( 0.512 1.146 -0.733) 1.453 28.259 ( 0.583 -0.542 0.573) 0.981 36.365 ( -2.390 1.761 -1.245) 3.219 37.350 ( -13.320 -4.453 -6.003) 15.274 37.468 ( -4.632 -8.062 0.118) 9.299 40.553 ( 6.176 2.971 -3.276) 7.596 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -11.608 16.824 18.359) 27.475 1.624 ( -13.752 20.273 27.553) 36.868 2.259 ( 17.666 28.651 36.071) 49.337 3.209 ( 6.471 -3.766 -13.480) 15.420 3.537 ( -4.969 7.820 -5.672) 10.863 4.914 ( 1.408 -30.308 3.707) 30.566 5.532 ( 4.134 5.645 -6.053) 9.252 5.748 ( -9.724 11.282 -2.321) 15.074 6.352 ( -6.255 -2.822 5.954) 9.085 6.625 ( 7.919 6.568 -1.710) 10.429 6.774 ( 1.438 4.018 -6.549) 7.817 7.268 ( 1.487 1.306 1.715) 2.619 10.482 ( -12.241 -4.671 -4.545) 13.868 10.817 ( 2.348 1.203 -8.075) 8.495 11.058 ( 1.117 9.412 4.825) 10.635 11.289 ( 5.349 8.998 2.480) 10.758 12.425 ( 0.455 -5.111 -1.184) 5.266 12.594 ( 0.813 1.750 -3.427) 3.933 18.301 ( 0.729 -5.379 -1.301) 5.581 18.405 ( 1.001 0.315 -0.553) 1.186 18.741 ( -0.976 -1.162 0.741) 1.689 18.812 ( -0.915 0.884 0.474) 1.358 21.368 ( 0.023 -3.633 2.880) 4.636 21.872 ( 0.083 -24.601 9.869) 26.507 28.190 ( 0.039 -4.095 0.165) 4.099 28.241 ( -0.237 -0.923 -0.106) 0.958 36.305 ( 4.783 -2.642 -2.917) 6.194 36.498 ( 0.405 6.403 -2.280) 6.809 36.978 ( -5.546 8.579 3.417) 10.772 37.820 ( 0.603 79.881 -34.043) 86.835 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 2.194 25.315 13.827) 28.928 1.717 ( -4.843 8.967 29.792) 31.487 3.040 ( 5.872 21.785 1.621) 22.620 3.195 ( 11.190 9.895 0.637) 14.951 3.626 ( 9.556 4.860 -3.805) 11.376 4.681 ( -0.333 -16.728 11.772) 20.458 5.425 ( -11.040 3.732 -9.278) 14.896 5.851 ( 6.240 9.490 -7.847) 13.805 6.287 ( -2.487 -2.510 4.918) 6.056 6.675 ( 2.616 -2.420 -0.188) 3.569 6.967 ( 7.664 9.222 -1.817) 12.128 7.416 ( 11.380 4.676 1.157) 12.358 10.331 ( 2.862 -9.068 -2.299) 9.783 10.725 ( -6.441 -3.052 -1.332) 7.251 11.235 ( 6.313 11.976 -0.574) 13.550 11.514 ( 5.807 9.260 3.074) 11.354 12.290 ( -10.579 -5.599 -4.550) 12.805 12.498 ( -8.112 -0.701 -0.738) 8.175 18.280 ( 0.910 -3.035 -2.396) 3.972 18.418 ( 2.330 0.129 -0.191) 2.342 18.711 ( -1.603 -2.035 0.522) 2.642 18.771 ( -2.742 -2.838 -0.223) 3.952 21.313 ( -2.947 -5.063 2.883) 6.530 21.635 ( -8.031 -14.000 10.455) 19.230 28.132 ( -1.670 -3.585 -0.494) 3.986 28.223 ( -0.857 -0.418 -0.187) 0.972 36.503 ( 5.275 5.786 -4.712) 9.138 36.579 ( 15.176 -1.013 0.156) 15.211 37.054 ( 1.739 12.175 3.529) 12.794 38.542 ( 20.637 54.151 -39.619) 70.198 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 9.788 24.584 7.493) 27.501 1.941 ( 5.541 9.051 21.809) 24.254 3.031 ( 4.075 2.245 -11.398) 12.311 3.634 ( 6.259 15.720 2.976) 17.180 3.775 ( 2.737 4.991 -2.765) 6.328 4.810 ( 14.319 0.117 13.862) 19.930 5.211 ( -8.724 0.136 -8.084) 11.895 5.968 ( 5.976 -1.801 -8.288) 10.375 6.268 ( -1.131 5.486 0.529) 5.627 6.765 ( 6.590 2.704 2.335) 7.496 7.114 ( 1.541 5.371 3.314) 6.496 7.681 ( 12.924 3.529 -0.427) 13.404 10.330 ( 8.658 -12.225 0.248) 14.982 10.582 ( -7.749 0.499 -1.267) 7.867 11.449 ( 4.791 7.110 0.857) 8.616 11.605 ( -9.688 6.631 3.865) 12.360 12.016 ( -4.919 -2.631 -4.958) 7.464 12.379 ( -4.750 -2.354 1.387) 5.480 18.219 ( -3.804 -1.346 -1.585) 4.335 18.493 ( 3.143 2.950 -2.033) 4.766 18.638 ( -4.313 -4.456 -0.248) 6.206 18.690 ( 0.631 -5.967 -0.082) 6.000 21.222 ( -3.573 -3.830 2.875) 5.975 21.463 ( -5.869 -7.127 6.691) 11.402 28.077 ( -0.929 -1.891 -0.918) 2.298 28.202 ( -1.141 -0.171 -0.415) 1.226 36.516 ( -5.936 10.418 -2.051) 12.165 36.944 ( 27.330 -7.589 -2.341) 28.461 37.278 ( 5.489 15.180 4.897) 16.868 39.088 ( 17.131 30.849 -32.403) 47.907 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 7.553 11.840 -4.808) 14.844 2.296 ( 9.308 15.733 17.134) 25.055 3.178 ( 13.964 0.739 -3.897) 14.517 3.644 ( -8.788 7.016 -9.288) 14.585 3.960 ( 5.358 11.915 5.793) 14.291 4.962 ( 4.923 -4.877 -8.641) 11.077 5.257 ( 4.914 10.723 9.855) 15.370 5.934 ( 4.811 -13.858 -3.905) 15.181 6.375 ( 1.184 13.954 -3.456) 14.424 6.928 ( 7.392 2.410 2.651) 8.215 7.161 ( -2.895 2.505 5.005) 6.301 7.874 ( 7.976 0.128 -0.998) 8.039 10.346 ( 1.670 -8.293 5.123) 9.890 10.465 ( -4.433 0.206 -3.654) 5.749 11.287 ( -13.637 -5.181 5.348) 15.538 11.668 ( 2.827 9.036 -1.413) 9.572 12.059 ( 6.342 0.932 -1.185) 6.519 12.303 ( -3.481 -0.578 1.665) 3.902 18.134 ( -4.544 0.389 -1.031) 4.675 18.475 ( -7.484 -0.451 1.006) 7.565 18.499 ( -2.278 -4.700 -4.330) 6.785 18.731 ( 8.128 -3.495 -0.079) 8.848 21.160 ( -2.101 -1.710 2.010) 3.374 21.347 ( -4.420 -4.638 3.480) 7.291 28.061 ( 0.746 -0.269 -0.457) 0.915 28.177 ( -1.536 0.098 -0.764) 1.718 36.512 ( -5.470 10.343 -1.212) 11.763 37.264 ( 20.274 -6.405 -4.463) 21.725 37.549 ( 6.999 11.902 4.937) 14.664 39.442 ( 13.845 17.707 -19.962) 30.062 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 6.277 2.246 -15.044) 16.455 2.632 ( 0.934 14.808 12.733) 19.552 3.325 ( 2.303 -1.303 -0.602) 2.713 3.590 ( 5.064 4.662 -10.812) 12.818 4.192 ( 3.958 14.311 5.767) 15.929 5.001 ( 0.848 5.673 -2.552) 6.278 5.467 ( 9.395 4.626 2.779) 10.834 5.860 ( 4.272 -15.195 -0.194) 15.785 6.467 ( -3.223 10.783 -6.427) 12.961 7.042 ( 0.494 -1.734 5.921) 6.189 7.152 ( -0.558 2.934 3.362) 4.498 7.948 ( 2.953 -1.901 -0.959) 3.641 10.223 ( -11.354 1.002 1.804) 11.540 10.451 ( 3.289 -4.233 4.446) 6.965 11.164 ( 2.616 -6.436 3.099) 7.608 11.759 ( 1.344 3.789 -0.295) 4.031 12.140 ( 2.602 0.077 -1.319) 2.919 12.258 ( -3.633 1.601 0.935) 4.078 18.075 ( -3.691 2.687 -0.195) 4.570 18.325 ( -5.894 -4.211 0.194) 7.247 18.432 ( -0.522 -1.770 -2.549) 3.147 18.827 ( 6.106 -2.411 -1.205) 6.674 21.135 ( -0.693 -0.438 1.043) 1.327 21.255 ( -3.520 -3.210 1.638) 5.038 28.089 ( 1.957 0.589 0.761) 2.181 28.146 ( -1.703 0.467 -1.353) 2.225 36.519 ( -5.146 10.138 -0.591) 11.384 37.460 ( 11.540 -3.332 -4.277) 12.750 37.749 ( 4.542 5.002 0.462) 6.772 39.731 ( 13.277 9.899 -8.060) 18.418 ======================= Grid point 339 (184/294) ======================= q-point: ( 0.67 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 8.602 -3.767 -18.464) 20.715 2.646 ( -16.916 9.188 4.339) 19.733 3.353 ( 2.653 -1.201 0.345) 2.933 3.719 ( 8.796 5.460 -8.657) 13.495 4.434 ( 5.490 14.032 5.648) 16.092 4.957 ( -11.816 3.813 -1.430) 12.498 5.711 ( 8.915 -7.173 -0.050) 11.442 5.816 ( 9.525 -4.431 4.432) 11.402 6.416 ( -8.911 10.049 -6.289) 14.830 6.986 ( -4.909 -5.390 9.338) 11.847 7.240 ( 2.924 5.285 0.021) 6.040 7.935 ( -0.621 -4.021 -1.102) 4.215 10.086 ( -7.136 2.309 2.274) 7.837 10.491 ( 1.350 -2.112 5.946) 6.453 11.224 ( 8.973 -6.559 2.229) 11.336 11.798 ( 1.831 -0.370 -0.130) 1.872 12.111 ( -5.128 -1.072 0.492) 5.262 12.233 ( -0.836 2.279 -2.147) 3.241 18.057 ( -3.881 5.406 1.494) 6.821 18.225 ( -1.030 -2.700 -0.610) 2.954 18.431 ( 3.148 -0.916 -1.275) 3.517 18.863 ( 2.627 -3.807 -2.366) 5.196 21.132 ( -0.069 -0.077 0.374) 0.388 21.184 ( -2.493 -1.923 0.818) 3.253 28.102 ( -2.121 0.522 0.198) 2.193 28.152 ( 2.734 0.883 -0.177) 2.878 36.526 ( -5.498 10.023 -0.097) 11.433 37.549 ( 4.455 -2.599 -2.186) 5.601 37.795 ( -0.333 -0.019 -5.002) 5.013 40.003 ( 13.044 4.733 -0.645) 13.891 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.937 -7.213 -7.672) 10.572 2.434 ( -8.889 6.464 -8.670) 13.999 3.335 ( -3.342 -2.022 2.282) 4.524 3.860 ( 2.100 9.183 -6.590) 11.497 4.676 ( -19.953 -1.340 2.081) 20.106 4.743 ( 13.805 10.523 1.646) 17.436 5.630 ( 0.730 -14.472 -4.284) 15.111 5.924 ( -4.865 -3.736 6.227) 8.741 6.445 ( 2.223 14.568 -1.942) 14.864 6.887 ( -5.841 -5.518 8.941) 12.021 7.324 ( 0.457 6.014 -1.412) 6.195 7.834 ( -3.766 -7.109 -2.768) 8.508 10.057 ( -0.656 2.854 1.793) 3.434 10.505 ( -0.809 -1.435 5.415) 5.660 11.332 ( 8.238 -3.930 3.319) 9.712 11.819 ( 2.674 -3.470 -0.143) 4.383 12.006 ( -5.084 -0.798 0.920) 5.228 12.233 ( -0.228 1.253 -2.218) 2.558 18.054 ( -4.947 8.066 2.062) 9.684 18.244 ( 5.093 -0.915 -0.448) 5.194 18.499 ( 5.539 -0.104 -0.696) 5.584 18.821 ( -0.033 -5.752 -3.508) 6.738 21.108 ( -2.098 -1.252 0.513) 2.496 21.167 ( 0.806 0.319 0.359) 0.938 28.071 ( -1.949 0.787 -0.505) 2.162 28.206 ( 2.431 0.336 0.669) 2.544 36.525 ( -6.337 10.235 0.199) 12.040 37.533 ( -1.836 -6.050 2.081) 6.656 37.707 ( -4.333 -0.952 -9.941) 10.886 40.245 ( 11.725 1.402 0.759) 11.833 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -19.253 -3.641 6.971) 20.797 2.468 ( 10.396 -2.320 -15.515) 18.819 3.265 ( -5.321 2.265 3.062) 6.544 3.885 ( -6.565 10.035 -5.406) 13.154 4.288 ( -17.775 -9.178 3.269) 20.270 5.150 ( 16.062 11.021 0.539) 19.488 5.331 ( -18.603 -12.415 -1.993) 22.454 5.809 ( 0.354 -8.301 0.936) 8.361 6.598 ( -0.548 10.433 -1.272) 10.525 6.776 ( -7.343 -3.428 8.609) 11.823 7.332 ( -5.015 2.705 0.355) 5.710 7.663 ( -5.164 -6.116 -6.254) 10.158 10.117 ( 4.214 0.929 -0.069) 4.316 10.508 ( 0.064 -0.517 4.324) 4.355 11.463 ( 4.267 3.755 5.645) 8.010 11.793 ( -1.111 -4.066 -1.350) 4.426 11.976 ( 4.544 -5.623 2.795) 7.751 12.233 ( 0.244 1.455 -1.213) 1.910 18.085 ( -3.249 11.237 1.229) 11.762 18.344 ( 6.721 -1.221 1.359) 6.965 18.584 ( 5.252 -1.008 -2.821) 6.046 18.738 ( 0.045 -5.610 -3.335) 6.527 21.067 ( -1.886 -0.859 1.403) 2.503 21.197 ( 1.840 0.700 0.464) 2.023 28.052 ( -0.826 0.963 -0.672) 1.436 28.241 ( 1.266 -0.305 0.367) 1.353 36.514 ( -7.275 10.994 0.232) 13.185 37.376 ( -6.879 -13.418 3.086) 15.391 37.566 ( -7.239 2.485 -9.361) 12.091 40.417 ( 8.786 -0.952 -3.919) 9.667 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -11.971 21.705 11.610) 27.372 2.083 ( 11.164 37.191 21.968) 44.614 2.593 ( -16.870 6.960 19.626) 26.799 3.069 ( -2.579 0.970 -7.173) 7.684 3.650 ( -4.582 -0.361 -8.105) 9.318 4.649 ( 0.913 -16.322 6.946) 17.762 5.448 ( 6.158 10.256 -4.042) 12.627 6.024 ( -3.091 10.745 -7.558) 13.496 6.358 ( -0.075 -2.602 0.519) 2.655 6.742 ( -8.799 0.311 2.740) 9.221 6.779 ( -3.846 6.960 -0.666) 7.980 7.331 ( -7.380 0.552 1.721) 7.598 10.676 ( 1.532 -3.260 -5.568) 6.632 10.760 ( -16.671 -0.718 -9.734) 19.318 11.129 ( 6.412 16.002 4.108) 17.722 11.349 ( -1.646 1.113 7.238) 7.506 12.272 ( 9.653 -6.483 -4.158) 12.349 12.477 ( 9.034 -1.304 0.079) 9.128 18.257 ( -3.566 -7.509 -0.980) 8.371 18.362 ( 3.863 0.249 -0.074) 3.872 18.744 ( 0.310 -0.098 -1.096) 1.144 18.823 ( 0.312 -0.184 -0.226) 0.427 21.309 ( 3.141 -5.370 2.983) 6.899 21.635 ( 7.941 -13.806 10.489) 19.070 28.131 ( 1.678 -3.648 -0.467) 4.043 28.230 ( 0.732 -0.116 -0.278) 0.792 36.374 ( -10.347 -1.463 -3.199) 10.928 36.531 ( -2.581 2.518 0.601) 3.656 37.228 ( -9.647 15.092 2.667) 18.109 38.535 ( -20.048 54.514 -40.620) 70.878 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -6.432 26.251 8.610) 28.366 2.175 ( -18.895 9.940 24.974) 32.856 3.010 ( 7.325 0.073 -10.233) 12.585 3.179 ( 15.140 32.300 11.855) 37.591 3.556 ( 2.190 1.155 -6.254) 6.726 4.549 ( 1.872 -11.885 8.579) 14.777 5.495 ( -4.960 -0.216 -11.137) 12.194 6.034 ( -8.372 17.544 -5.195) 20.121 6.277 ( 1.734 -9.308 1.138) 9.536 6.668 ( -2.268 4.059 6.235) 7.778 6.918 ( 5.929 11.407 -1.457) 12.938 7.327 ( 3.249 1.836 3.150) 4.884 10.376 ( -13.522 -3.002 -2.569) 14.087 10.742 ( 1.994 -0.271 -3.476) 4.017 11.260 ( 1.071 4.071 5.897) 7.245 11.510 ( 5.893 11.646 0.389) 13.058 12.263 ( 1.461 -8.172 -4.627) 9.504 12.576 ( 0.353 -0.455 -3.473) 3.521 18.172 ( 2.698 -6.483 -0.579) 7.046 18.399 ( 0.682 -0.427 -0.197) 0.828 18.729 ( -1.403 -0.377 -0.806) 1.661 18.790 ( -2.201 -2.968 0.033) 3.695 21.294 ( 0.162 -6.103 2.683) 6.668 21.604 ( -0.055 -13.787 8.672) 16.288 28.104 ( 0.055 -4.076 -0.433) 4.099 28.230 ( -0.352 -0.122 -0.457) 0.589 36.263 ( 4.213 0.388 -1.268) 4.417 36.670 ( 3.121 12.391 -0.449) 12.786 37.188 ( -6.967 10.001 2.020) 12.355 38.759 ( 0.088 53.514 -34.841) 63.856 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 3.754 28.744 7.854) 30.034 2.159 ( -8.323 7.826 24.680) 27.196 2.942 ( -0.978 0.442 -15.806) 15.842 3.548 ( 13.585 3.084 -3.024) 14.256 3.811 ( 3.446 15.605 0.688) 15.996 4.678 ( 10.991 4.576 13.332) 17.874 5.269 ( -6.476 -5.245 -11.566) 14.255 5.953 ( -8.365 -0.321 -2.921) 8.866 6.345 ( 3.730 10.410 -1.377) 11.144 6.754 ( 1.547 6.607 6.441) 9.356 7.114 ( 5.395 7.363 -0.058) 9.128 7.479 ( 11.024 0.242 1.968) 11.201 10.205 ( -2.658 -3.797 0.316) 4.646 10.711 ( -5.281 1.218 1.787) 5.707 11.411 ( 7.653 6.207 1.877) 10.031 11.691 ( 4.256 6.368 1.153) 7.746 12.112 ( -8.365 -6.151 -7.281) 12.682 12.450 ( -7.894 -3.898 -0.635) 8.827 18.195 ( 4.445 -2.766 -3.212) 6.143 18.403 ( 2.386 -1.759 1.425) 3.289 18.662 ( -3.093 -5.059 -1.818) 6.202 18.709 ( -4.896 -1.233 1.198) 5.189 21.236 ( -1.637 -4.897 2.292) 5.649 21.493 ( -3.334 -9.662 6.215) 11.962 28.063 ( -0.410 -2.504 -0.639) 2.616 28.216 ( -0.816 -0.058 -0.573) 0.998 36.469 ( 19.110 -0.535 -2.712) 19.309 36.767 ( -7.258 14.541 -0.011) 16.252 37.301 ( 7.070 9.332 4.140) 12.418 39.101 ( 4.845 38.591 -29.062) 48.553 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -6.417 10.269 10.565) 16.070 2.433 ( 10.353 21.034 12.315) 26.482 2.953 ( 7.415 4.098 -7.852) 11.551 3.816 ( 3.322 5.750 -4.109) 7.810 3.882 ( 7.138 7.993 -2.283) 10.957 4.817 ( -0.654 -1.000 -5.949) 6.068 5.298 ( 9.932 5.581 5.985) 12.870 5.771 ( -5.255 -8.561 -3.235) 10.553 6.512 ( 0.527 16.709 -3.051) 16.993 6.893 ( 3.636 6.326 5.693) 9.254 7.221 ( 0.844 3.045 1.817) 3.645 7.675 ( 12.139 -3.264 0.307) 12.574 10.196 ( 4.717 -4.166 2.431) 6.747 10.627 ( -8.198 3.141 2.606) 9.158 11.505 ( -9.622 -2.850 1.405) 10.133 11.739 ( -2.453 7.322 -2.225) 8.036 11.947 ( 3.625 -1.342 -1.587) 4.179 12.324 ( -1.946 -4.352 0.436) 4.787 18.186 ( -1.621 0.606 -4.372) 4.702 18.457 ( 1.727 -4.184 -1.639) 4.814 18.562 ( 3.493 -6.806 1.451) 7.787 18.608 ( -7.168 0.408 1.291) 7.295 21.180 ( -1.649 -2.719 1.629) 3.572 21.379 ( -3.574 -6.588 3.623) 8.325 28.045 ( 0.465 -0.475 -0.516) 0.841 28.197 ( -1.078 0.066 -0.667) 1.269 36.758 ( -9.147 14.539 -0.631) 17.189 36.801 ( 22.904 -2.404 -5.165) 23.602 37.567 ( 8.699 8.272 7.316) 14.058 39.375 ( 6.160 24.704 -20.524) 32.703 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -5.841 7.054 -3.757) 9.898 2.843 ( 7.096 18.055 13.959) 23.899 3.133 ( 10.657 1.265 -1.420) 10.826 3.707 ( -11.815 8.444 -8.717) 16.938 4.220 ( 12.375 10.656 3.563) 16.714 4.869 ( 13.277 2.840 -6.315) 14.974 5.480 ( 0.071 4.778 3.046) 5.667 5.609 ( 2.229 -14.146 -3.364) 14.710 6.630 ( -3.325 15.649 -5.140) 16.804 7.032 ( 2.821 3.284 4.801) 6.464 7.234 ( -2.150 1.053 4.344) 4.960 7.807 ( 8.507 -5.719 -0.233) 10.253 10.281 ( 6.313 -2.987 4.251) 8.176 10.520 ( -10.237 4.905 1.433) 11.441 11.193 ( -12.903 -7.422 1.448) 14.956 11.797 ( -0.770 4.501 0.990) 4.673 12.045 ( 6.687 -1.168 -1.542) 6.961 12.289 ( 0.523 -1.945 -0.051) 2.014 18.139 ( -2.292 2.100 -4.224) 5.245 18.349 ( -3.335 -6.027 -0.575) 6.912 18.487 ( -6.611 -0.428 0.454) 6.640 18.668 ( 8.395 -3.124 1.225) 9.041 21.146 ( -0.906 -1.062 0.900) 1.661 21.283 ( -3.064 -4.454 1.781) 5.692 28.065 ( 1.750 0.873 0.034) 1.956 28.174 ( -1.488 0.272 -0.760) 1.693 36.749 ( -7.787 13.688 -0.428) 15.754 37.113 ( 19.678 -1.455 -7.733) 21.193 37.776 ( 3.453 4.592 7.362) 9.338 39.603 ( 8.611 13.701 -10.831) 19.473 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -5.012 5.090 -10.818) 12.964 3.096 ( -12.127 19.724 8.845) 24.786 3.233 ( 7.286 -7.483 0.809) 10.476 3.633 ( 2.062 9.009 -7.461) 11.878 4.492 ( 5.457 11.403 4.239) 13.333 5.121 ( 2.628 5.598 -2.523) 6.679 5.488 ( 3.631 -6.766 -3.652) 8.503 5.580 ( 12.871 -4.697 0.795) 13.724 6.641 ( -8.233 12.725 -6.318) 16.420 7.046 ( -2.855 -4.864 6.906) 8.916 7.278 ( 0.854 6.056 3.792) 7.196 7.843 ( 3.761 -7.871 -0.686) 8.750 10.293 ( -9.001 3.597 2.934) 10.128 10.471 ( 1.189 1.439 3.678) 4.124 11.039 ( 2.597 -8.806 1.953) 9.387 11.798 ( -1.824 -0.078 1.094) 2.128 12.100 ( 2.784 -2.088 -2.060) 4.044 12.273 ( -1.332 -0.587 -0.438) 1.520 18.120 ( -0.059 2.516 -4.015) 4.739 18.263 ( -2.752 -2.146 2.913) 4.546 18.400 ( -2.732 0.124 -0.782) 2.844 18.749 ( 4.868 -4.290 -0.500) 6.508 21.135 ( -0.222 -0.236 0.351) 0.478 21.207 ( -2.422 -2.799 0.833) 3.794 28.115 ( 2.581 1.223 0.613) 2.921 28.144 ( -1.961 0.446 -0.805) 2.166 36.756 ( -7.162 13.730 -0.173) 15.487 37.348 ( 13.672 -0.265 -7.848) 15.766 37.830 ( -2.961 -0.120 4.175) 5.119 39.829 ( 11.223 5.498 -3.249) 12.912 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -0.081 5.129 -9.813) 11.073 2.886 ( -25.189 11.687 -1.695) 27.820 3.315 ( 3.854 -3.219 3.548) 6.149 3.827 ( 8.693 9.894 -2.509) 13.407 4.689 ( 5.039 7.873 2.920) 9.793 4.958 ( -14.763 -4.073 -3.656) 15.745 5.438 ( 3.108 -7.466 -4.554) 9.282 5.895 ( 12.045 1.498 4.020) 12.786 6.587 ( -5.672 11.090 -3.546) 12.951 6.973 ( -4.144 -4.496 8.817) 10.730 7.378 ( 1.201 7.736 0.622) 7.853 7.766 ( -1.013 -11.329 -2.226) 11.590 10.192 ( -8.477 6.435 1.497) 10.747 10.523 ( 0.551 -0.292 4.279) 4.324 11.088 ( 11.614 -9.791 1.993) 15.321 11.766 ( -0.476 -2.584 0.682) 2.714 12.076 ( -2.318 -1.717 -0.937) 3.033 12.242 ( -1.046 -0.096 -0.416) 1.129 18.149 ( 3.500 0.906 -2.733) 4.532 18.238 ( -4.147 5.370 4.150) 7.954 18.401 ( 3.496 -0.723 -1.561) 3.897 18.740 ( 0.942 -5.954 -2.036) 6.363 21.127 ( -1.006 -0.680 0.242) 1.238 21.164 ( -0.464 -0.777 0.488) 1.028 28.110 ( -2.148 0.477 -0.725) 2.317 28.173 ( 2.522 0.856 0.728) 2.761 36.769 ( -7.370 13.949 0.122) 15.777 37.482 ( 5.577 -0.650 -3.402) 6.565 37.730 ( -6.580 -3.520 -1.714) 7.657 40.046 ( 12.014 0.327 -0.644) 12.036 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.448 4.259 -2.415) 4.917 2.578 ( -20.606 11.225 -3.008) 23.657 3.329 ( -0.605 -1.732 1.899) 2.640 3.998 ( 1.521 8.034 -1.250) 8.271 4.522 ( -19.367 -10.125 -1.872) 21.934 4.969 ( 13.091 6.700 -0.711) 14.723 5.390 ( -1.488 -1.958 -5.609) 6.125 5.871 ( -10.594 -7.585 4.652) 13.835 6.681 ( 2.031 9.722 -0.373) 9.939 6.914 ( -5.672 -0.242 8.710) 10.397 7.452 ( -2.964 7.225 -0.420) 7.821 7.593 ( -1.129 -12.595 -4.913) 13.566 10.151 ( -4.147 5.636 -0.277) 7.003 10.530 ( -0.784 -0.492 3.286) 3.414 11.241 ( 16.681 -10.508 3.357) 19.999 11.745 ( 0.479 -2.700 1.021) 2.926 12.001 ( -5.078 0.110 0.384) 5.094 12.235 ( 0.239 0.173 0.109) 0.314 18.223 ( 5.845 -1.171 0.801) 6.014 18.272 ( -3.245 10.926 2.109) 11.591 18.458 ( 5.159 -2.105 -3.094) 6.373 18.666 ( -0.250 -5.942 -2.760) 6.556 21.095 ( -1.698 -0.717 0.938) 2.068 21.176 ( 1.439 0.262 0.373) 1.510 28.078 ( -1.695 0.409 -0.583) 1.838 28.217 ( 1.656 0.211 0.239) 1.686 36.778 ( -7.820 13.803 0.313) 15.868 37.422 ( -9.222 -9.146 5.941) 14.283 37.609 ( -1.337 1.999 -10.025) 10.309 40.217 ( 10.160 -2.475 -3.691) 11.089 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -9.671 15.953 10.977) 21.645 2.343 ( 12.456 43.335 14.671) 47.416 2.941 ( -17.242 5.265 -7.129) 19.386 3.259 ( -13.991 -1.692 6.123) 15.365 3.577 ( 0.491 -10.346 -7.114) 12.565 4.695 ( -12.029 -4.094 6.194) 14.136 5.422 ( 10.242 10.674 -2.649) 15.028 6.071 ( -5.140 1.131 -5.360) 7.512 6.310 ( 3.555 0.041 -3.961) 5.322 6.911 ( -5.690 10.746 1.959) 12.316 6.982 ( -6.891 3.698 6.297) 10.041 7.529 ( -14.513 -1.147 -0.086) 14.559 10.498 ( 8.401 -3.961 -4.357) 10.259 11.005 ( -10.144 2.625 -11.013) 15.201 11.224 ( 1.378 13.801 4.650) 14.628 11.338 ( 5.255 -7.750 12.010) 15.229 12.055 ( 4.274 -1.083 -4.803) 6.520 12.324 ( 6.293 -4.773 2.221) 8.204 18.214 ( 1.493 -5.417 -2.553) 6.172 18.323 ( -0.857 -2.432 2.023) 3.278 18.707 ( 3.549 0.229 -2.353) 4.265 18.805 ( 0.094 -0.756 -1.120) 1.354 21.214 ( 3.577 -4.250 3.088) 6.356 21.468 ( 5.832 -6.783 6.623) 11.131 28.077 ( 0.791 -1.985 -0.921) 2.327 28.210 ( 1.517 0.112 -0.477) 1.594 36.426 ( 2.613 5.530 -2.487) 6.603 36.747 ( -20.910 -5.595 1.965) 21.734 37.583 ( -9.788 18.718 2.252) 21.242 39.057 ( -16.214 29.674 -33.512) 47.607 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -8.128 16.869 5.012) 19.384 2.658 ( -18.504 5.855 5.951) 20.299 2.963 ( 1.119 10.120 8.375) 13.184 3.291 ( 10.288 26.279 0.810) 28.232 3.447 ( 4.038 -4.496 -6.066) 8.562 4.546 ( -4.736 -1.040 5.658) 7.452 5.583 ( -5.655 5.462 -5.581) 9.641 6.012 ( 9.603 -4.901 -4.716) 11.768 6.280 ( -5.400 0.057 -4.641) 7.120 6.857 ( -7.781 6.471 6.756) 12.168 7.033 ( -2.926 15.135 1.448) 15.483 7.384 ( -5.038 2.621 4.707) 7.376 10.574 ( -4.353 -3.471 -2.039) 5.929 10.660 ( -5.589 0.154 -7.681) 9.501 11.318 ( -0.740 -2.593 10.500) 10.840 11.551 ( 4.897 12.954 0.646) 13.863 12.085 ( 5.636 -6.680 -6.437) 10.855 12.453 ( 9.828 -1.711 0.175) 9.977 18.100 ( -2.129 -7.610 0.145) 7.904 18.366 ( 2.847 0.196 -0.119) 2.857 18.738 ( -0.265 0.559 -1.751) 1.857 18.771 ( 0.280 -4.047 -0.854) 4.145 21.230 ( 1.983 -5.033 2.475) 5.949 21.497 ( 3.095 -9.413 6.147) 11.660 28.060 ( 0.495 -2.688 -0.529) 2.784 28.226 ( 0.487 0.104 -0.785) 0.930 36.349 ( -11.898 0.757 -0.134) 11.923 36.672 ( 7.585 10.132 0.700) 12.676 37.516 ( -15.570 12.297 1.734) 19.916 39.088 ( -3.368 38.556 -29.719) 48.796 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 1.290 7.933 -3.394) 8.725 2.519 ( -11.564 4.179 19.907) 23.398 2.987 ( -4.088 10.337 -5.365) 12.343 3.318 ( 7.302 -4.177 -10.323) 13.317 3.917 ( 7.079 21.231 4.328) 22.795 4.651 ( 9.219 12.314 9.261) 17.955 5.319 ( -14.243 -5.515 -10.812) 18.713 6.063 ( -5.825 -7.936 0.179) 9.846 6.289 ( 11.180 9.339 -3.501) 14.982 6.894 ( -2.970 10.009 7.275) 12.725 7.147 ( 0.801 11.479 -1.492) 11.603 7.409 ( 0.121 3.274 6.413) 7.202 10.299 ( -11.210 -3.494 -0.990) 11.784 10.755 ( 4.111 3.049 -0.013) 5.119 11.362 ( 3.767 1.395 5.167) 6.544 11.703 ( 2.097 7.210 0.341) 7.517 12.047 ( 1.901 -6.853 -7.361) 10.235 12.500 ( -1.771 -4.494 -2.180) 5.299 18.056 ( 4.205 -5.123 0.616) 6.657 18.390 ( 0.302 0.066 -0.489) 0.579 18.652 ( -3.383 -6.373 -2.172) 7.535 18.763 ( -1.173 0.432 0.420) 1.318 21.211 ( 0.199 -4.371 1.851) 4.751 21.455 ( -0.210 -9.165 4.721) 10.312 28.040 ( 0.136 -1.822 -0.226) 1.841 28.221 ( -0.372 -0.112 -1.074) 1.142 36.286 ( 2.851 2.353 -0.133) 3.699 36.943 ( 6.663 13.431 3.040) 15.298 37.396 ( -9.322 9.820 0.632) 13.555 39.299 ( 0.284 34.391 -24.615) 42.293 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 16.468 -4.667 -0.212) 17.118 2.492 ( -8.369 4.944 16.823) 19.429 3.061 ( -2.459 21.380 -1.510) 21.574 3.479 ( 19.801 -0.819 -9.309) 21.896 4.040 ( -5.281 10.179 -2.394) 11.715 4.943 ( -11.284 6.678 -0.725) 13.132 5.114 ( 13.114 2.105 -1.606) 13.378 5.869 ( -9.336 -3.341 0.848) 9.952 6.557 ( 9.605 9.041 -1.520) 13.278 6.992 ( -1.095 9.889 6.208) 11.727 7.252 ( 1.095 7.209 -1.932) 7.543 7.490 ( 4.715 -1.152 4.525) 6.636 10.159 ( -2.307 -2.288 1.308) 3.503 10.790 ( -4.389 2.770 4.878) 7.122 11.522 ( 6.930 3.524 0.495) 7.791 11.766 ( 0.691 1.945 -2.881) 3.544 11.949 ( -3.253 -2.670 -4.905) 6.463 12.333 ( -6.738 -7.379 -0.604) 10.011 18.117 ( 5.962 -2.090 -2.544) 6.811 18.394 ( 0.923 -0.411 1.263) 1.618 18.508 ( -3.481 -8.177 -1.584) 9.027 18.724 ( -4.669 0.938 1.248) 4.923 21.178 ( -0.647 -2.802 1.200) 3.115 21.373 ( -1.900 -7.334 3.034) 8.161 28.033 ( 0.343 -0.127 -0.020) 0.366 28.205 ( -0.555 -0.232 -1.146) 1.294 36.452 ( 14.151 0.924 -2.140) 14.342 37.073 ( -8.587 15.234 1.370) 17.541 37.497 ( 9.305 6.096 4.988) 12.191 39.489 ( -0.219 26.285 -18.458) 32.119 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -4.459 0.930 3.437) 5.706 2.653 ( 17.729 -2.071 8.636) 19.829 3.254 ( -0.965 19.722 5.245) 20.430 3.825 ( 17.807 1.861 -6.927) 19.198 4.039 ( 1.888 11.773 -5.696) 13.214 4.800 ( -4.282 4.535 -2.982) 6.913 5.310 ( 7.326 -5.498 -0.994) 9.214 5.719 ( -9.157 4.367 -0.266) 10.149 6.749 ( 4.119 7.828 -1.354) 8.948 7.098 ( -1.264 8.995 3.476) 9.726 7.290 ( -1.974 3.283 1.844) 4.252 7.588 ( 9.095 -5.936 1.275) 10.935 10.176 ( 4.594 -1.083 2.605) 5.391 10.737 ( -7.833 3.463 5.251) 10.046 11.401 ( -16.813 -5.149 -3.482) 17.925 11.856 ( 4.572 6.210 -2.366) 8.066 11.907 ( 2.416 -2.921 1.672) 4.143 12.219 ( 1.611 -5.486 -1.938) 6.037 18.138 ( 0.640 -0.903 -5.440) 5.552 18.354 ( -3.673 -4.321 -0.921) 5.745 18.471 ( 5.519 -3.935 2.428) 7.200 18.652 ( -5.302 1.744 2.425) 6.085 21.152 ( -0.639 -1.287 0.610) 1.562 21.288 ( -2.185 -5.236 1.599) 5.895 28.051 ( 1.105 1.106 0.252) 1.583 28.188 ( -0.649 -0.084 -1.056) 1.242 36.710 ( 17.327 -1.412 -3.851) 17.806 37.070 ( -8.290 16.610 -1.482) 18.623 37.744 ( 8.939 1.920 8.602) 12.553 39.625 ( 0.443 17.496 -11.538) 20.963 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -9.207 6.535 -1.888) 11.447 2.945 ( 15.938 -6.400 5.055) 17.904 3.454 ( 0.228 14.816 9.962) 17.856 3.790 ( -12.971 9.110 -8.657) 18.060 4.431 ( 20.305 7.411 0.613) 21.624 4.898 ( 12.327 1.877 -2.436) 12.705 5.309 ( 6.036 -8.505 -1.496) 10.535 5.617 ( -9.902 8.986 -4.160) 14.004 6.830 ( -1.700 6.784 -2.536) 7.439 7.095 ( -6.323 0.993 1.662) 6.612 7.329 ( 1.532 3.138 5.033) 6.126 7.670 ( 7.064 -7.252 -0.285) 10.128 10.297 ( 7.495 0.668 3.043) 8.117 10.651 ( -10.052 4.901 3.839) 11.824 11.050 ( -13.249 -7.122 -0.473) 15.049 11.856 ( -3.736 -0.332 2.221) 4.359 11.992 ( 5.965 -1.586 -2.680) 6.729 12.224 ( 3.747 -3.119 -2.678) 5.562 18.102 ( 0.301 -1.412 -4.256) 4.494 18.275 ( -1.687 -1.381 -0.177) 2.187 18.478 ( -2.615 -0.804 0.733) 2.833 18.653 ( 2.023 -0.376 2.718) 3.409 21.138 ( -0.332 -0.350 0.183) 0.516 21.217 ( -1.871 -3.387 0.709) 3.934 28.092 ( 1.969 1.348 0.543) 2.447 28.170 ( -1.119 0.198 -0.890) 1.443 36.919 ( 7.331 2.079 -1.420) 7.751 37.139 ( 2.661 12.395 -5.826) 13.952 37.879 ( 1.315 -1.282 8.022) 8.230 39.744 ( 3.726 8.941 -5.112) 10.952 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -8.177 11.165 -2.292) 14.027 3.083 ( 6.248 -7.781 -0.452) 9.989 3.490 ( -18.849 14.438 0.502) 23.749 3.767 ( 7.637 5.937 3.170) 10.179 4.700 ( 5.680 5.501 3.037) 8.471 4.949 ( 0.086 -15.151 -5.317) 16.057 5.474 ( -2.307 10.290 -2.648) 10.872 5.618 ( 17.347 4.147 -1.294) 17.883 6.793 ( -8.875 7.305 -4.069) 12.194 7.009 ( -1.552 -4.697 6.534) 8.195 7.414 ( 2.423 2.039 2.575) 4.082 7.659 ( 0.508 -7.386 -1.742) 7.605 10.415 ( -2.449 6.098 2.448) 7.012 10.552 ( -5.541 3.289 1.914) 6.722 10.867 ( 1.392 -10.502 1.275) 10.670 11.786 ( -3.545 -2.088 1.175) 4.278 12.037 ( 3.094 -1.652 -1.942) 4.009 12.229 ( 1.490 -2.857 -1.270) 3.464 18.094 ( 1.880 -0.567 -2.380) 3.086 18.271 ( 1.940 -0.349 0.653) 2.076 18.435 ( -3.344 3.297 0.327) 4.708 18.672 ( 0.567 -2.990 0.526) 3.089 21.133 ( -0.208 -0.036 -0.008) 0.211 21.168 ( -1.162 -1.842 0.392) 2.213 28.140 ( 0.168 1.123 -0.578) 1.274 28.147 ( 0.435 0.084 0.493) 0.663 36.995 ( -3.393 9.318 0.127) 9.917 37.310 ( 10.546 3.046 -6.009) 12.514 37.840 ( -7.273 -2.129 4.510) 8.819 39.878 ( 7.569 2.332 -1.495) 8.060 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -4.128 15.098 1.618) 15.735 2.961 ( -12.349 -0.680 -5.598) 13.576 3.361 ( -7.159 4.700 1.665) 8.724 3.977 ( 7.686 2.224 3.755) 8.839 4.667 ( -11.439 -14.148 -4.706) 18.793 4.855 ( 6.544 5.556 2.217) 8.866 5.444 ( -5.778 8.583 -4.060) 11.115 5.897 ( 5.149 -3.764 0.261) 6.384 6.727 ( -0.971 4.801 -1.112) 5.023 7.025 ( -0.567 2.438 7.484) 7.891 7.427 ( 1.500 -12.174 -2.756) 12.572 7.572 ( -3.686 3.487 -0.496) 5.098 10.343 ( -10.643 7.456 -0.444) 13.003 10.553 ( -0.649 0.161 1.626) 1.758 10.885 ( 11.809 -11.887 1.591) 16.831 11.736 ( -0.649 -1.241 1.488) 2.044 12.051 ( -0.047 0.631 -0.843) 1.055 12.221 ( 1.152 -2.350 1.068) 2.827 18.132 ( 3.896 -0.192 -0.520) 3.936 18.319 ( 3.757 -2.003 0.399) 4.277 18.442 ( -1.370 5.931 -0.144) 6.089 18.625 ( -1.813 -2.414 -1.482) 3.363 21.118 ( -1.294 -0.398 0.453) 1.428 21.158 ( 0.896 -0.340 0.206) 0.980 28.110 ( -2.112 0.292 -0.403) 2.170 28.190 ( 2.055 0.129 0.174) 2.066 36.997 ( -5.732 6.548 -0.129) 8.703 37.462 ( 6.504 0.080 0.799) 6.554 37.665 ( -12.000 0.711 -2.128) 12.208 40.017 ( 8.771 -1.127 -2.503) 9.191 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -8.387 12.971 8.741) 17.748 2.623 ( 8.833 38.252 3.244) 39.392 3.228 ( -6.697 2.222 -9.519) 11.849 3.426 ( -12.414 4.559 -9.258) 16.143 3.543 ( -12.027 -10.372 13.047) 20.554 4.915 ( -12.201 -1.102 -2.420) 12.488 5.289 ( 9.232 3.591 0.048) 9.906 6.057 ( -0.601 -11.628 -4.616) 12.525 6.382 ( -4.309 13.833 1.920) 14.615 7.045 ( -1.503 0.077 5.809) 6.000 7.169 ( -2.603 13.259 1.101) 13.557 7.722 ( -10.960 -4.699 -2.866) 12.264 10.302 ( 8.292 -3.031 -2.138) 9.083 10.916 ( 16.038 2.424 3.502) 16.594 11.309 ( -1.224 1.974 4.143) 4.749 11.408 ( -10.773 1.759 0.796) 10.945 12.052 ( -3.739 -0.031 -3.140) 4.883 12.196 ( 4.019 -6.163 2.639) 7.817 18.108 ( 4.194 -2.673 -1.632) 5.234 18.325 ( -1.084 -4.260 1.860) 4.773 18.610 ( 5.696 -0.016 -3.224) 6.545 18.814 ( -2.616 -0.434 -1.436) 3.015 21.151 ( 1.863 -2.004 2.178) 3.497 21.352 ( 4.610 -4.419 3.398) 7.234 28.065 ( -1.139 -0.087 -0.756) 1.370 28.176 ( 2.197 -0.072 -0.534) 2.262 36.424 ( 2.847 6.080 -1.547) 6.889 37.065 ( -20.773 -4.962 2.306) 21.482 37.883 ( -3.629 16.601 -1.241) 17.038 39.386 ( -14.522 15.446 -20.090) 29.207 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -8.333 9.365 1.441) 12.618 2.991 ( -12.139 6.558 -2.166) 13.966 3.208 ( -12.376 2.901 3.299) 13.132 3.312 ( -3.793 3.453 1.626) 5.381 3.397 ( 14.379 27.367 3.688) 31.134 4.704 ( -10.157 3.163 -1.087) 10.694 5.552 ( 14.714 3.659 -1.021) 15.197 5.847 ( -4.297 -14.247 -5.756) 15.955 6.391 ( -8.725 6.843 -0.468) 11.098 7.035 ( -3.372 3.532 3.872) 6.232 7.247 ( -4.578 12.324 0.566) 13.159 7.551 ( -6.370 3.190 3.246) 7.829 10.432 ( 9.708 1.252 -3.107) 10.270 10.851 ( -15.712 -6.001 -6.869) 18.168 11.276 ( 5.341 -8.505 9.272) 13.668 11.583 ( 6.593 13.395 3.906) 15.432 11.979 ( -1.635 -1.291 -4.741) 5.178 12.270 ( 9.062 -3.558 2.793) 10.128 18.074 ( -2.148 -5.881 -0.891) 6.324 18.319 ( 2.467 -0.577 1.293) 2.844 18.683 ( 4.735 -1.730 -1.727) 5.329 18.750 ( -2.235 -1.657 -2.263) 3.587 21.169 ( 1.751 -2.751 1.891) 3.770 21.387 ( 3.592 -6.434 3.467) 8.144 28.042 ( -0.672 -0.624 -0.414) 1.007 28.207 ( 1.466 0.132 -0.891) 1.721 36.563 ( -1.566 8.962 -0.344) 9.105 36.712 ( -11.057 0.667 1.663) 11.201 37.886 ( -12.228 10.729 0.806) 16.287 39.322 ( -3.886 24.581 -20.763) 32.410 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -11.439 -3.593 -9.217) 15.124 2.833 ( -13.072 5.144 9.727) 17.087 3.130 ( -1.596 6.504 0.322) 6.705 3.184 ( -2.131 -2.455 -3.597) 4.848 4.030 ( 9.543 26.428 5.513) 28.634 4.700 ( 2.847 14.344 -0.304) 14.627 5.473 ( -12.881 -8.521 -4.296) 16.031 5.925 ( 16.004 -0.781 -0.235) 16.025 6.254 ( -6.653 0.184 -2.364) 7.063 7.063 ( -2.091 7.446 2.951) 8.278 7.259 ( -4.314 7.085 -0.417) 8.306 7.575 ( -4.062 10.088 7.240) 13.065 10.456 ( -12.669 -6.792 -1.792) 14.486 10.654 ( 8.671 4.744 -3.930) 10.637 11.325 ( 4.113 -4.603 5.730) 8.422 11.754 ( 0.906 6.548 1.213) 6.721 11.929 ( 0.786 -2.446 -4.803) 5.447 12.403 ( 6.811 -3.841 0.275) 7.824 17.987 ( -0.728 -4.557 1.699) 4.918 18.367 ( 2.386 0.495 -0.700) 2.535 18.627 ( -2.742 -7.445 -2.404) 8.290 18.762 ( 1.989 1.600 -0.587) 2.620 21.173 ( 0.925 -2.759 1.363) 3.213 21.380 ( 1.619 -7.292 2.905) 8.015 28.029 ( -0.210 -0.215 0.205) 0.364 28.215 ( 0.251 -0.233 -1.452) 1.491 36.390 ( -10.993 2.422 1.434) 11.348 36.907 ( 10.957 11.623 2.746) 16.207 37.728 ( -15.809 8.077 0.364) 17.757 39.473 ( 1.706 26.449 -18.441) 32.288 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 4.661 -10.647 -5.687) 12.939 2.733 ( -8.504 -0.241 12.469) 15.094 3.191 ( 7.299 1.362 -7.871) 10.820 3.257 ( 1.727 14.644 2.067) 14.890 4.211 ( -4.594 10.155 -1.297) 11.221 4.962 ( 5.464 3.273 -4.174) 7.615 5.240 ( -9.160 13.005 2.390) 16.086 5.970 ( -5.644 -2.325 1.149) 6.211 6.359 ( 16.119 0.097 -1.168) 16.162 7.125 ( -0.414 7.268 2.282) 7.629 7.259 ( -0.483 2.950 -1.320) 3.267 7.621 ( -6.928 9.875 6.307) 13.612 10.214 ( -7.138 -4.537 -0.293) 8.463 10.829 ( 5.330 2.873 0.926) 6.125 11.418 ( 7.626 1.477 0.320) 7.774 11.781 ( -1.579 1.881 -2.960) 3.846 11.915 ( 1.137 -0.445 -1.364) 1.830 12.361 ( -4.450 -7.975 -1.246) 9.218 17.999 ( 4.290 -1.733 1.529) 4.873 18.396 ( 0.527 1.256 -0.889) 1.627 18.476 ( -3.669 -8.797 -2.325) 9.811 18.788 ( -0.948 1.120 0.968) 1.758 21.163 ( 0.127 -2.013 0.785) 2.165 21.334 ( -0.204 -6.692 2.025) 6.994 28.033 ( 0.115 0.759 0.673) 1.021 28.201 ( -0.264 -0.520 -1.748) 1.843 36.338 ( 0.959 2.592 0.288) 2.779 37.215 ( 9.087 9.056 6.381) 14.328 37.573 ( -9.978 8.236 -0.750) 12.960 39.657 ( 0.265 23.199 -14.293) 27.250 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 21.811 -7.346 7.217) 24.120 2.666 ( -5.126 0.164 7.717) 9.266 3.372 ( 16.142 0.712 -6.004) 17.237 3.450 ( 4.840 11.811 1.503) 12.852 4.197 ( -5.127 10.303 -5.198) 12.627 4.883 ( -2.973 -3.951 -2.966) 5.765 5.331 ( -6.589 13.793 1.962) 15.411 5.877 ( -5.136 3.075 -0.438) 6.003 6.602 ( 13.833 -3.963 0.001) 14.389 7.212 ( 0.050 7.441 2.308) 7.791 7.308 ( 5.943 0.800 -2.039) 6.334 7.582 ( -9.807 5.869 3.826) 12.052 10.132 ( 0.502 -1.725 1.016) 2.064 10.873 ( -2.347 0.314 3.156) 3.946 11.534 ( -1.421 -0.127 -3.297) 3.593 11.746 ( 2.190 1.486 -5.028) 5.682 11.939 ( 0.259 2.068 1.985) 2.878 12.165 ( -5.004 -8.440 -1.126) 9.876 18.063 ( 3.388 -1.514 -2.179) 4.304 18.341 ( -1.208 -6.791 -0.743) 6.938 18.414 ( 0.559 1.396 0.813) 1.709 18.762 ( -3.975 1.151 2.116) 4.647 21.150 ( -0.222 -0.971 0.284) 1.036 21.271 ( -1.113 -5.230 1.133) 5.466 28.052 ( 0.441 1.237 0.805) 1.540 28.185 ( -0.060 -0.199 -1.582) 1.595 36.452 ( 10.264 0.914 -1.792) 10.459 37.348 ( -6.435 9.865 3.098) 12.179 37.635 ( 8.305 3.449 4.478) 10.046 39.778 ( -2.752 18.095 -9.341) 20.549 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 4.761 2.092 6.841) 8.593 2.694 ( 8.531 -2.319 6.565) 11.012 3.549 ( 3.047 3.166 7.429) 8.632 3.770 ( 24.198 -0.251 -6.838) 25.147 4.217 ( -0.612 13.592 -7.734) 15.650 4.825 ( 1.316 -4.045 -0.525) 4.286 5.292 ( -7.895 5.958 2.252) 10.144 5.838 ( -6.301 9.662 -3.563) 12.073 6.733 ( 9.438 -8.394 0.379) 12.636 7.280 ( -0.919 7.210 -1.671) 7.458 7.391 ( -6.551 4.104 1.464) 7.868 7.499 ( 3.764 -2.986 1.549) 5.048 10.195 ( 6.352 1.034 1.511) 6.610 10.816 ( -5.181 -1.046 2.709) 5.939 11.290 ( -18.405 -2.734 -1.840) 18.698 11.831 ( 6.231 -2.482 -1.528) 6.879 11.948 ( -2.752 1.924 -0.014) 3.358 12.098 ( 4.286 -3.437 -2.702) 6.122 18.047 ( 0.869 -3.627 -2.968) 4.767 18.291 ( -0.982 -0.812 -1.200) 1.751 18.457 ( 2.148 0.048 1.665) 2.718 18.716 ( -4.136 1.728 3.156) 5.482 21.141 ( -0.272 -0.182 -0.055) 0.332 21.212 ( -1.201 -3.576 0.450) 3.799 28.079 ( 1.198 0.618 0.706) 1.522 28.180 ( -0.273 0.730 -1.099) 1.347 36.661 ( 15.182 -0.279 -2.987) 15.476 37.332 ( -6.901 9.676 0.177) 11.886 37.825 ( 7.579 -0.743 6.974) 10.327 39.831 ( -3.831 12.149 -4.505) 13.512 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -6.261 9.367 0.580) 11.282 2.878 ( 9.809 -4.886 5.187) 12.124 3.675 ( 6.831 -2.468 9.476) 11.939 3.878 ( -9.444 6.833 -8.976) 14.712 4.491 ( 20.649 1.547 -2.244) 20.828 4.809 ( 2.349 -6.151 -1.585) 6.772 5.318 ( 6.661 6.022 1.870) 9.172 5.790 ( -10.141 10.250 -1.965) 14.552 6.806 ( 8.274 -5.687 0.587) 10.057 7.162 ( -16.103 3.737 -1.093) 16.567 7.357 ( 2.869 -3.384 -0.251) 4.443 7.594 ( 4.181 0.278 0.759) 4.258 10.367 ( 9.446 4.711 1.098) 10.612 10.717 ( -5.185 -3.080 1.652) 6.252 10.947 ( -17.880 -2.272 0.106) 18.025 11.830 ( -2.915 -2.905 0.181) 4.120 11.952 ( 3.719 0.172 -2.029) 4.241 12.132 ( 4.046 -3.455 -2.154) 5.740 18.036 ( 2.599 -1.987 -1.021) 3.427 18.267 ( -1.133 0.959 -0.998) 1.789 18.479 ( -0.096 0.415 0.274) 0.506 18.693 ( -2.574 1.240 2.603) 3.865 21.136 ( -0.149 0.115 -0.194) 0.270 21.168 ( -0.944 -2.075 0.106) 2.282 28.112 ( 2.168 -0.269 0.529) 2.247 28.173 ( -1.288 1.262 -0.602) 1.902 36.912 ( 15.239 0.676 -2.279) 15.424 37.301 ( -4.770 4.033 -0.380) 6.258 37.920 ( 0.321 0.255 4.408) 4.427 39.859 ( -1.362 6.358 -0.873) 6.561 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -3.679 14.106 -0.039) 14.578 2.939 ( 1.738 -5.526 0.268) 5.799 3.641 ( -13.792 -0.109 -3.673) 14.273 3.836 ( 7.942 -2.869 4.180) 9.422 4.630 ( -1.151 -5.665 -1.869) 6.075 4.830 ( 5.587 1.972 1.160) 6.038 5.637 ( 19.656 1.707 -1.182) 19.765 5.674 ( -11.189 5.008 1.178) 12.315 6.833 ( -7.543 -0.236 -0.729) 7.582 7.021 ( 4.078 0.580 1.118) 4.268 7.319 ( -1.917 -6.882 -0.549) 7.165 7.638 ( -0.096 2.526 0.105) 2.530 10.566 ( 1.962 5.140 0.146) 5.504 10.606 ( -7.544 -0.407 -0.114) 7.556 10.676 ( -3.552 -5.248 -0.024) 6.337 11.750 ( -2.165 -1.994 0.079) 2.945 12.023 ( 3.687 1.739 -0.279) 4.086 12.147 ( 3.522 -4.705 0.195) 5.880 18.076 ( 3.076 0.043 0.014) 3.076 18.267 ( 0.616 0.036 -0.021) 0.617 18.480 ( -0.473 0.245 0.000) 0.533 18.668 ( -2.604 2.314 0.006) 3.484 21.136 ( -0.436 0.395 -0.042) 0.590 21.141 ( -0.009 -1.248 0.042) 1.249 28.145 ( 0.665 -0.262 0.014) 0.715 28.156 ( -0.438 0.486 -0.014) 0.655 37.084 ( 0.544 -0.447 -0.062) 0.707 37.301 ( 8.132 -1.744 0.096) 8.317 37.884 ( -8.332 4.558 -0.037) 9.497 39.912 ( 2.728 2.561 0.003) 3.741 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -2.763 5.467 -0.701) 6.166 2.795 ( 11.259 31.184 1.986) 33.213 3.184 ( -3.890 -2.068 -12.425) 13.183 3.687 ( -12.157 0.860 4.182) 12.885 3.833 ( -13.867 6.825 2.139) 15.603 4.911 ( 6.430 -2.864 -3.533) 7.876 5.379 ( -15.870 2.514 1.231) 16.115 5.931 ( -0.834 -10.690 -2.328) 10.972 6.533 ( 5.175 9.628 2.252) 11.161 7.069 ( 1.068 -0.063 7.684) 7.758 7.302 ( 1.208 11.311 -1.091) 11.427 7.772 ( -6.438 -9.352 -4.354) 12.160 10.159 ( 6.514 0.599 0.259) 6.547 10.726 ( 11.678 2.250 7.958) 14.309 11.373 ( -1.094 1.854 3.324) 3.961 11.601 ( -10.334 0.875 -0.764) 10.399 12.074 ( 0.815 -5.443 1.204) 5.634 12.108 ( -1.623 -2.983 -2.512) 4.224 18.019 ( 3.577 -1.223 -0.271) 3.790 18.291 ( 1.169 -3.079 0.916) 3.418 18.514 ( 3.589 0.542 -2.618) 4.476 18.859 ( -3.897 -0.880 -1.762) 4.367 21.129 ( 0.427 -0.585 1.170) 1.376 21.258 ( 3.710 -3.142 1.548) 5.102 28.102 ( -2.699 1.165 -0.575) 2.995 28.132 ( 2.558 -0.226 -0.085) 2.569 36.432 ( 2.636 6.162 -1.026) 6.780 37.351 ( -16.002 -2.982 2.458) 16.462 37.986 ( 4.313 9.951 -6.685) 12.741 39.684 ( -15.447 8.346 -7.110) 18.942 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -6.565 1.514 -5.107) 8.454 3.070 ( -1.123 0.433 -5.696) 5.821 3.364 ( 9.706 15.555 9.181) 20.505 3.496 ( -13.352 3.208 5.520) 14.799 3.716 ( -11.467 27.724 -1.248) 30.028 4.896 ( -8.187 3.196 -5.625) 10.435 5.308 ( 10.046 -0.899 0.440) 10.096 5.752 ( -4.255 -14.060 -2.846) 14.962 6.645 ( -7.355 9.073 2.543) 11.953 7.094 ( -0.561 0.412 3.916) 3.977 7.402 ( -1.663 8.510 -1.629) 8.822 7.618 ( -0.036 -2.151 -0.695) 2.261 10.295 ( 7.680 3.854 -1.752) 8.770 10.905 ( 2.177 -4.080 -0.420) 4.643 11.200 ( -6.875 -10.736 2.959) 13.087 11.647 ( 3.175 10.984 5.614) 12.737 12.005 ( -3.192 -1.519 -2.515) 4.338 12.116 ( 5.969 -4.065 2.426) 7.618 18.043 ( 0.512 -2.167 -0.861) 2.387 18.284 ( 1.241 -2.078 1.448) 2.821 18.572 ( 4.721 -1.547 -1.896) 5.318 18.772 ( -3.313 -1.392 -2.261) 4.246 21.138 ( 0.798 -1.042 1.155) 1.748 21.289 ( 3.278 -4.419 1.592) 5.728 28.067 ( -2.188 0.985 -0.259) 2.413 28.172 ( 2.198 0.079 -0.555) 2.268 36.596 ( 6.210 12.078 -0.039) 13.581 37.016 ( -20.526 -2.018 1.717) 20.697 38.085 ( -1.335 6.724 -3.629) 7.756 39.531 ( -8.623 13.653 -9.314) 18.642 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -12.705 -8.496 -9.502) 17.996 3.107 ( 0.262 8.786 -0.468) 8.803 3.241 ( -14.128 -7.276 9.557) 18.544 3.328 ( -14.964 9.642 -1.801) 17.892 4.177 ( 8.566 30.231 5.487) 31.897 4.819 ( -2.089 12.630 -4.552) 13.587 5.493 ( -2.956 -10.996 0.068) 11.387 5.601 ( 17.228 -1.905 -2.369) 17.494 6.479 ( -16.509 2.145 0.731) 16.664 7.132 ( 0.632 3.497 0.953) 3.679 7.397 ( -4.427 4.416 -1.577) 6.449 7.699 ( 3.283 5.788 3.952) 7.739 10.462 ( 6.561 2.781 -2.168) 7.448 10.663 ( -11.816 -6.262 -4.853) 14.226 11.180 ( 7.448 -6.940 2.610) 10.509 11.805 ( 1.092 5.601 3.517) 6.703 11.934 ( -2.552 -0.018 -1.122) 2.788 12.238 ( 8.977 -2.361 2.598) 9.639 17.992 ( -2.558 -2.588 1.466) 3.923 18.319 ( 3.258 0.163 -0.231) 3.270 18.573 ( -0.357 -6.587 -1.956) 6.881 18.738 ( 1.454 1.348 -1.620) 2.560 21.145 ( 0.733 -1.224 0.862) 1.667 21.296 ( 2.226 -5.241 1.383) 5.860 28.049 ( -1.303 1.229 0.529) 1.868 28.194 ( 1.000 -0.269 -1.384) 1.729 36.676 ( -18.306 1.826 2.253) 18.534 36.865 ( 8.899 12.313 1.838) 15.302 38.009 ( -10.392 2.265 -1.545) 10.747 39.586 ( 1.349 18.334 -10.309) 21.076 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -11.809 -10.635 -6.869) 17.313 2.925 ( -13.446 -5.104 5.743) 15.486 3.215 ( -7.471 7.385 -0.761) 10.533 3.307 ( 6.254 8.567 2.105) 10.813 4.384 ( -4.766 10.700 -0.909) 11.749 4.950 ( -0.788 3.593 -1.072) 3.831 5.436 ( 2.813 12.012 1.670) 12.450 5.911 ( 16.570 -0.543 -1.192) 16.621 6.240 ( -10.552 -1.073 1.535) 10.717 7.168 ( -0.173 3.211 -0.988) 3.364 7.339 ( -4.516 1.819 -1.358) 5.054 7.812 ( -0.572 6.537 4.290) 7.840 10.294 ( -9.755 -7.768 -1.488) 12.558 10.716 ( 9.173 4.251 -4.013) 10.877 11.281 ( 9.022 -0.948 -1.163) 9.146 11.817 ( -2.001 0.668 -1.549) 2.617 11.934 ( -0.929 2.916 3.845) 4.915 12.308 ( 1.624 -6.176 0.261) 6.391 17.966 ( 0.171 -0.003 2.906) 2.911 18.377 ( 2.719 1.675 -1.250) 3.430 18.442 ( -3.849 -8.373 -2.872) 9.653 18.788 ( 2.259 0.797 0.623) 2.475 21.147 ( 0.385 -0.961 0.427) 1.120 21.276 ( 0.898 -5.256 0.993) 5.424 28.052 ( -0.489 1.513 1.209) 1.997 28.189 ( -0.009 -0.510 -1.982) 2.046 36.456 ( -10.746 2.383 1.694) 11.136 37.156 ( 9.845 9.645 5.034) 14.673 37.824 ( -11.608 2.061 -1.213) 11.852 39.771 ( 3.401 18.428 -8.740) 20.677 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 11.593 -4.177 8.796) 15.140 2.736 ( -4.552 -6.525 1.189) 8.045 3.208 ( 0.448 5.117 -2.503) 5.714 3.495 ( 4.529 6.230 3.902) 8.635 4.357 ( -5.993 8.739 -3.293) 11.097 4.868 ( -3.408 -5.197 -0.796) 6.265 5.653 ( -4.318 21.190 1.431) 21.673 5.967 ( -5.190 0.077 0.665) 5.233 6.273 ( 15.389 -7.902 -0.238) 17.301 7.205 ( 3.216 1.782 -0.538) 3.715 7.287 ( -1.766 0.637 -2.160) 2.862 7.828 ( -6.817 5.661 2.356) 9.169 10.126 ( -2.688 -3.664 -0.592) 4.583 10.836 ( 4.977 -1.201 -4.044) 6.524 11.445 ( 8.670 2.789 -2.490) 9.442 11.781 ( -2.907 2.409 -2.155) 4.347 11.970 ( -0.338 2.868 4.144) 5.051 12.180 ( -6.114 -9.081 -0.667) 10.968 18.009 ( 1.647 0.676 0.811) 1.956 18.293 ( -1.946 -6.771 -1.511) 7.205 18.427 ( 1.082 2.625 -0.627) 2.907 18.817 ( -0.344 0.160 2.100) 2.134 21.145 ( 0.079 -0.363 0.007) 0.371 21.238 ( -0.142 -4.509 0.520) 4.541 28.066 ( -0.235 0.769 1.168) 1.418 28.176 ( 0.117 0.417 -1.758) 1.810 36.381 ( -1.019 1.455 0.193) 1.787 37.405 ( 7.439 2.939 8.336) 11.553 37.688 ( -6.328 4.564 -1.939) 8.039 39.936 ( 0.002 16.022 -5.665) 16.994 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 24.146 3.584 20.295) 31.745 2.645 ( 0.414 -5.271 -1.797) 5.584 3.318 ( 12.456 0.454 -5.326) 13.554 3.594 ( 1.870 -0.965 5.673) 6.051 4.373 ( -3.208 14.470 -5.563) 15.831 4.753 ( -1.707 -7.863 -1.562) 8.196 5.626 ( -16.584 10.722 4.748) 20.311 5.965 ( -0.222 8.634 -2.915) 9.115 6.414 ( 13.937 -14.405 -0.561) 20.052 7.265 ( 1.867 -1.233 -2.313) 3.218 7.329 ( 7.697 1.975 0.117) 7.947 7.717 ( -12.653 4.716 -0.151) 13.504 10.122 ( 3.861 0.630 -0.024) 3.912 10.828 ( 0.161 -4.274 -3.989) 5.848 11.484 ( -6.037 -3.466 -1.351) 7.091 11.757 ( -0.364 3.892 -1.346) 4.134 12.003 ( -3.632 -2.948 -0.297) 4.688 12.031 ( 0.937 1.064 1.314) 1.933 17.990 ( -0.448 -3.876 -2.064) 4.414 18.272 ( 2.003 0.318 0.127) 2.032 18.462 ( 0.182 2.695 0.580) 2.763 18.804 ( -2.695 0.373 3.067) 4.100 21.143 ( -0.119 0.073 -0.293) 0.325 21.195 ( -0.555 -3.201 0.071) 3.249 28.068 ( 0.288 -0.814 0.362) 0.936 28.188 ( 0.282 2.032 -0.679) 2.161 36.447 ( 8.101 0.060 -1.215) 8.192 37.485 ( -3.106 -0.943 6.499) 7.264 37.729 ( 5.968 3.599 0.650) 7.000 40.017 ( -4.539 12.630 -2.159) 13.593 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 0.117 2.236 -2.082) 3.057 2.740 ( 11.439 1.623 15.965) 19.707 3.519 ( 10.671 -9.188 -0.797) 14.104 3.708 ( 17.268 -3.617 2.666) 17.843 4.393 ( -3.955 9.256 -10.154) 14.297 4.709 ( 3.387 -0.711 0.412) 3.485 5.468 ( -11.859 5.328 4.890) 13.890 5.989 ( -5.823 3.291 0.015) 6.689 6.520 ( 15.290 -8.862 -0.840) 17.692 7.268 ( 1.720 -4.619 -1.843) 5.263 7.447 ( -2.625 1.020 -1.715) 3.297 7.545 ( -5.194 4.784 -0.512) 7.080 10.262 ( 8.973 5.777 -0.007) 10.672 10.733 ( -2.915 -6.086 -3.198) 7.468 11.225 ( -15.918 -4.905 -0.100) 16.657 11.820 ( 1.645 3.256 -0.353) 3.665 11.919 ( -1.242 -2.982 -1.279) 3.475 12.065 ( 0.340 0.452 -0.338) 0.659 17.964 ( 2.662 -2.616 -0.420) 3.755 18.298 ( -0.786 2.558 -1.083) 2.887 18.490 ( -0.134 1.845 0.649) 1.961 18.773 ( -3.385 0.806 3.017) 4.605 21.136 ( -0.202 -0.841 -0.417) 0.960 21.164 ( -0.524 -0.814 -0.235) 0.996 28.073 ( 1.574 -1.291 0.132) 2.040 28.205 ( -0.685 2.169 -0.137) 2.279 36.636 ( 14.923 -0.028 -1.504) 14.998 37.407 ( -5.863 -4.607 4.768) 8.851 37.879 ( 6.737 2.337 0.598) 7.156 40.017 ( -7.065 9.007 1.013) 11.491 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 1.171 2.912 -7.983) 8.578 2.938 ( 0.878 3.842 11.690) 12.337 3.506 ( 5.681 -19.556 -1.660) 20.432 3.865 ( 0.315 -0.582 -0.226) 0.700 4.498 ( 16.136 -1.916 -2.826) 16.493 4.779 ( -1.676 7.854 -0.364) 8.039 5.457 ( 3.598 4.951 2.884) 6.766 5.840 ( -7.411 -8.931 4.392) 12.409 6.743 ( 13.674 0.398 -0.874) 13.708 7.110 ( -11.962 -6.809 -2.136) 13.929 7.353 ( -4.070 5.061 -1.086) 6.584 7.613 ( 3.964 0.016 -0.763) 4.037 10.503 ( 8.984 6.130 -0.607) 10.893 10.600 ( -3.280 -3.788 -2.122) 5.442 10.908 ( -15.647 -2.712 -1.367) 15.939 11.771 ( -3.851 -2.099 -2.314) 4.959 11.972 ( 5.229 1.544 2.530) 6.010 12.061 ( 0.852 -2.101 -0.284) 2.285 18.019 ( 4.264 0.373 1.082) 4.415 18.293 ( -1.884 2.273 -0.230) 2.961 18.495 ( -1.049 0.929 0.098) 1.405 18.735 ( -3.136 1.242 0.612) 3.428 21.120 ( 0.297 -1.539 -0.430) 1.626 21.155 ( -0.725 0.810 -0.231) 1.111 28.097 ( 2.507 -1.143 0.087) 2.756 28.200 ( -2.002 1.351 0.134) 2.419 36.910 ( 16.448 0.811 -1.215) 16.513 37.256 ( -5.534 -10.099 5.143) 12.612 37.977 ( 1.455 3.745 -2.992) 5.010 39.990 ( -5.459 6.289 3.101) 8.886 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 8.429 -0.490 0.438) 8.455 2.874 ( 9.903 26.834 -8.849) 29.940 3.248 ( -8.254 -0.683 -8.118) 11.597 3.820 ( 2.613 3.508 -7.898) 9.028 4.095 ( -13.486 0.680 11.143) 17.507 4.758 ( 3.963 -5.247 -0.909) 6.638 5.744 ( -19.488 -1.000 -1.420) 19.565 5.888 ( -4.391 -0.526 1.615) 4.708 6.389 ( 17.638 2.967 0.568) 17.894 7.092 ( 3.883 2.935 8.311) 9.632 7.346 ( 3.345 7.487 -0.703) 8.231 7.760 ( -6.396 -10.664 -3.151) 12.828 10.100 ( 3.603 4.566 1.513) 6.010 10.627 ( 7.434 0.848 7.826) 10.828 11.391 ( 0.533 -4.147 4.195) 5.923 11.763 ( -7.815 2.163 -1.555) 8.256 11.984 ( 1.614 -5.841 0.888) 6.125 12.122 ( -3.060 -1.792 -3.875) 5.253 17.955 ( 3.172 -0.660 0.242) 3.249 18.266 ( -0.405 0.121 0.380) 0.568 18.485 ( -0.296 0.973 -0.833) 1.315 18.894 ( -2.525 -1.659 -2.448) 3.888 21.130 ( -0.173 -0.035 0.484) 0.515 21.184 ( 2.637 -2.003 0.722) 3.389 28.082 ( 2.193 -0.540 -0.568) 2.329 28.169 ( -2.857 1.811 0.535) 3.425 36.440 ( 3.113 6.172 -0.777) 6.956 37.555 ( -9.097 -1.594 1.930) 9.435 37.888 ( 8.974 2.864 -8.863) 12.934 39.986 ( -14.745 4.476 -0.203) 15.411 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -2.407 -2.421 -4.644) 5.764 3.040 ( 0.429 1.725 -13.625) 13.741 3.427 ( 10.549 20.537 12.927) 26.461 3.752 ( -9.862 1.674 3.092) 10.470 4.068 ( -3.292 19.195 -4.015) 19.885 4.829 ( 9.415 -3.603 -0.284) 10.084 5.398 ( -16.056 -0.585 -3.935) 16.541 5.755 ( -9.816 -3.842 1.468) 10.643 6.701 ( 11.397 5.065 2.313) 12.684 7.171 ( -3.823 2.864 5.575) 7.342 7.438 ( 0.303 -1.736 -1.539) 2.339 7.564 ( 0.379 -2.006 -2.947) 3.585 10.231 ( 5.167 6.417 -0.633) 8.263 10.789 ( 7.267 -2.379 4.377) 8.811 11.248 ( -9.152 -13.974 1.145) 16.744 11.731 ( 0.272 7.642 3.185) 8.283 11.962 ( 1.678 -5.779 0.111) 6.018 12.069 ( -0.494 0.773 -0.874) 1.267 18.008 ( 2.456 0.390 -0.326) 2.508 18.258 ( -0.007 -1.362 0.962) 1.667 18.497 ( 1.840 -0.385 -1.062) 2.160 18.804 ( -3.668 -2.374 -2.357) 4.964 21.130 ( 0.007 -0.193 0.582) 0.613 21.209 ( 2.636 -2.808 0.647) 3.905 28.108 ( 0.254 0.914 -1.204) 1.533 28.148 ( -0.729 0.736 0.966) 1.417 36.611 ( 6.197 12.327 0.077) 13.797 37.323 ( -16.176 -1.791 1.178) 16.317 38.037 ( 7.924 2.614 -6.441) 10.541 39.784 ( -12.830 5.628 -1.680) 14.111 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -11.008 -6.464 -7.484) 14.798 3.075 ( 6.162 3.310 -4.212) 8.165 3.468 ( -14.755 -5.600 13.025) 20.462 3.710 ( -11.042 11.722 -4.222) 16.648 4.373 ( 6.633 29.259 2.543) 30.109 4.907 ( 1.737 1.440 -2.356) 3.262 5.320 ( 8.645 5.428 -1.870) 10.378 5.521 ( -10.459 -7.838 1.281) 13.132 6.760 ( -11.427 1.130 1.499) 11.581 7.130 ( 1.518 0.281 0.569) 1.646 7.440 ( 1.974 0.266 -2.208) 2.974 7.644 ( 5.944 1.616 1.015) 6.243 10.387 ( 6.014 6.822 -2.412) 9.409 10.760 ( -9.152 -8.657 -3.033) 12.958 11.016 ( 2.690 -9.657 1.719) 10.171 11.863 ( 0.493 5.253 3.641) 6.410 11.926 ( 2.373 -3.767 -0.345) 4.466 12.128 ( 4.523 1.933 3.175) 5.855 18.021 ( -1.209 -0.146 1.168) 1.687 18.268 ( 2.339 -0.188 -0.016) 2.347 18.508 ( 0.877 -3.347 -1.012) 3.605 18.729 ( -1.049 -0.898 -2.165) 2.568 21.133 ( 0.261 -0.323 0.466) 0.624 21.222 ( 2.065 -3.360 0.478) 3.973 28.096 ( -2.028 1.765 0.382) 2.715 28.165 ( 1.417 -0.178 -0.720) 1.599 36.863 ( 7.101 13.098 1.253) 14.952 37.025 ( -18.542 1.602 2.528) 18.782 38.080 ( -0.433 -2.568 -4.802) 5.462 39.706 ( -3.269 10.147 -2.884) 11.044 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -15.305 -6.593 -5.739) 17.625 3.119 ( -12.932 -12.885 5.827) 19.163 3.272 ( 3.374 6.753 0.335) 7.556 3.547 ( -17.001 13.392 -1.737) 21.712 4.571 ( -5.166 10.774 -0.366) 11.954 4.997 ( -0.162 -1.723 4.622) 4.936 5.408 ( 7.205 0.464 1.143) 7.310 5.637 ( 15.599 13.071 -2.947) 20.564 6.508 ( -16.669 -0.307 2.355) 16.837 7.180 ( 1.852 1.456 -1.983) 3.080 7.405 ( -4.358 -0.032 -3.874) 5.831 7.785 ( 8.082 -0.965 2.943) 8.655 10.374 ( -10.018 -8.145 -2.180) 13.094 10.610 ( 4.908 3.557 -4.622) 7.623 11.095 ( 10.640 -1.229 -1.688) 10.843 11.833 ( -1.446 -2.165 -1.022) 2.797 11.997 ( 0.947 3.229 4.224) 5.400 12.225 ( 3.031 -1.881 2.599) 4.414 18.006 ( -1.660 1.522 3.165) 3.884 18.329 ( 3.962 1.774 -1.282) 4.526 18.423 ( -4.008 -6.007 -2.292) 7.576 18.743 ( 3.244 -0.437 -0.012) 3.273 21.137 ( 0.315 -0.228 0.178) 0.428 21.218 ( 1.225 -3.551 0.250) 3.765 28.088 ( -1.263 1.316 1.321) 2.253 28.173 ( 0.433 0.044 -1.654) 1.710 36.726 ( -16.758 1.410 1.793) 16.913 37.145 ( 6.674 12.340 4.510) 14.736 37.949 ( -6.255 -5.624 -3.201) 9.000 39.825 ( 4.299 13.005 -3.028) 14.028 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -5.315 0.728 6.586) 8.494 2.758 ( -11.248 -13.081 -2.056) 17.374 3.359 ( -5.755 4.313 0.443) 7.205 3.506 ( -0.199 10.019 4.583) 11.020 4.540 ( -6.997 8.222 -1.329) 10.878 4.889 ( -5.164 -7.271 2.566) 9.280 5.668 ( 16.688 -0.388 1.923) 16.802 5.967 ( 9.155 11.888 -4.215) 15.585 6.252 ( -15.818 0.730 3.703) 16.262 7.196 ( 0.907 0.635 -2.729) 2.945 7.292 ( -4.035 -2.319 -4.148) 6.234 7.885 ( 3.382 -2.072 1.936) 4.413 10.148 ( -5.820 -5.045 -1.640) 7.875 10.702 ( 5.598 -0.139 -6.935) 8.913 11.302 ( 11.337 4.822 -2.628) 12.597 11.810 ( 0.533 0.397 -0.582) 0.884 12.042 ( -1.147 2.022 4.429) 5.002 12.185 ( -3.964 -5.809 1.025) 7.107 18.033 ( -0.920 3.360 2.588) 4.340 18.268 ( -3.791 -5.567 -2.828) 7.305 18.415 ( 3.226 3.031 -0.447) 4.449 18.797 ( 3.101 -1.334 1.865) 3.857 21.140 ( 0.242 -0.020 -0.182) 0.304 21.198 ( 0.386 -3.173 -0.023) 3.197 28.083 ( -0.919 -0.406 1.034) 1.442 28.176 ( 0.214 1.591 -1.292) 2.061 36.507 ( -11.311 1.242 1.127) 11.435 37.368 ( 5.484 5.934 6.693) 10.492 37.785 ( -4.960 -4.233 -2.105) 6.852 40.020 ( 4.304 12.695 -1.743) 13.517 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 17.482 9.105 21.373) 29.075 2.518 ( 0.158 -12.047 -7.294) 14.084 3.293 ( -5.051 2.428 1.067) 5.705 3.594 ( -0.505 0.357 5.193) 5.229 4.551 ( -2.837 14.511 -0.268) 14.788 4.722 ( -5.581 -9.864 -2.132) 11.532 5.927 ( 13.922 -2.116 -0.701) 14.099 6.017 ( -12.040 -3.478 5.849) 13.830 6.106 ( -0.518 6.263 -4.342) 7.638 7.197 ( 2.532 -5.181 -7.540) 9.493 7.240 ( 2.065 1.915 1.143) 3.039 7.867 ( -3.328 -2.692 0.114) 4.283 10.079 ( 1.204 0.350 -1.227) 1.754 10.721 ( 3.283 -3.512 -8.034) 9.363 11.458 ( 3.283 0.620 -2.713) 4.304 11.832 ( -1.361 2.363 0.056) 2.728 12.024 ( -2.212 -3.002 -0.177) 3.733 12.084 ( -3.276 2.222 4.414) 5.929 17.985 ( -4.417 -2.801 -1.624) 5.477 18.248 ( 2.751 2.735 0.714) 3.945 18.486 ( 1.229 3.701 0.120) 3.901 18.830 ( 0.988 -1.523 3.069) 3.566 21.139 ( 0.092 -0.780 -0.547) 0.958 21.175 ( -0.111 -1.367 -0.271) 1.398 28.060 ( -0.708 -1.541 0.073) 1.698 28.202 ( 0.601 2.608 -0.199) 2.684 36.395 ( -2.517 -0.145 0.084) 2.523 37.496 ( 2.062 -2.560 9.335) 9.897 37.703 ( 0.376 -0.619 -2.856) 2.946 40.172 ( -0.078 11.064 0.353) 11.070 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 6.701 -9.221 -8.927) 14.479 2.618 ( 22.908 10.279 25.369) 35.694 3.262 ( 2.856 -3.709 -2.240) 5.190 3.562 ( -0.373 -6.695 5.742) 8.828 4.468 ( -8.030 -8.131 -9.540) 14.887 4.741 ( 2.994 17.611 2.605) 18.052 5.754 ( -14.090 -3.183 4.134) 15.025 6.015 ( -0.084 -14.643 -3.561) 15.070 6.223 ( 11.526 8.438 2.583) 14.517 7.161 ( 3.739 -6.164 -6.503) 9.709 7.339 ( 6.745 -0.235 0.423) 6.763 7.735 ( -8.393 -2.175 -1.532) 8.805 10.183 ( 7.511 6.783 -0.745) 10.148 10.669 ( 0.369 -5.047 -7.405) 8.969 11.358 ( -8.686 -6.854 -2.194) 11.280 11.837 ( 1.381 1.629 1.488) 2.603 11.964 ( -5.721 1.798 0.543) 6.022 12.100 ( -1.484 2.831 0.511) 3.237 17.908 ( 0.222 -2.302 -0.506) 2.368 18.328 ( 1.024 4.696 -0.493) 4.832 18.527 ( -0.639 3.395 0.485) 3.488 18.832 ( -1.261 -0.998 3.413) 3.773 21.120 ( -0.080 -2.116 -0.815) 2.269 21.171 ( -0.236 1.008 -0.434) 1.123 28.042 ( 0.448 -1.379 -0.016) 1.450 28.233 ( 0.065 2.244 0.094) 2.247 36.432 ( 7.642 -0.762 -0.193) 7.682 37.454 ( -4.481 -9.271 8.519) 13.364 37.769 ( 7.438 1.020 -2.653) 7.963 40.230 ( -5.437 9.112 2.631) 10.932 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 6.480 -5.639 -9.492) 12.802 3.040 ( 3.208 5.846 17.882) 19.085 3.228 ( 2.737 -15.086 -5.851) 16.410 3.665 ( 17.498 -5.767 6.963) 19.696 4.255 ( 0.660 -8.684 -7.008) 11.178 4.972 ( -1.222 21.429 0.600) 21.472 5.553 ( -6.490 -3.942 4.875) 9.024 5.795 ( -4.554 -17.302 -0.680) 17.904 6.527 ( 13.697 4.946 2.581) 14.789 7.107 ( 0.466 -8.946 -4.700) 10.116 7.427 ( 3.232 -0.057 -1.151) 3.431 7.582 ( -4.509 -0.882 -1.868) 4.959 10.423 ( 8.245 7.797 -1.168) 11.408 10.591 ( 0.547 0.629 -4.899) 4.969 11.085 ( -12.834 -7.155 -2.736) 14.946 11.830 ( -5.989 -3.894 -0.363) 7.153 11.927 ( 1.727 3.384 1.425) 4.057 12.084 ( -2.411 1.927 0.980) 3.238 17.952 ( 4.982 1.149 1.471) 5.320 18.356 ( -2.078 3.579 -0.422) 4.160 18.538 ( -1.723 2.869 -0.031) 3.347 18.800 ( -3.124 -0.506 1.564) 3.530 21.096 ( 0.220 -2.013 -0.881) 2.209 21.175 ( -0.540 1.566 -0.441) 1.714 28.050 ( 1.742 -0.875 0.182) 1.958 28.242 ( -1.196 1.319 0.128) 1.786 36.630 ( 15.714 0.093 0.110) 15.715 37.281 ( -7.137 -13.565 7.475) 17.054 37.896 ( 7.674 0.597 -4.631) 8.983 40.206 ( -8.443 7.622 4.733) 12.320 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 14.986 0.965 4.658) 15.723 2.952 ( 2.255 23.746 -15.783) 28.602 3.261 ( 2.176 -4.157 -4.915) 6.795 3.651 ( 8.204 -4.138 -5.807) 10.870 4.312 ( -2.604 -8.669 10.792) 14.086 4.781 ( -11.639 8.649 -2.544) 14.722 5.807 ( -3.247 -11.926 -2.723) 12.656 5.947 ( 14.263 -5.904 5.528) 16.397 6.275 ( -4.999 13.923 -4.379) 15.428 7.045 ( 9.630 1.908 8.397) 12.919 7.346 ( 2.872 4.503 -0.128) 5.343 7.732 ( -2.309 -9.438 -1.368) 9.812 10.164 ( -2.086 10.423 1.820) 10.784 10.557 ( 4.987 -1.109 7.318) 8.925 11.314 ( 1.750 -10.318 3.548) 11.050 11.869 ( -1.183 3.047 -2.637) 4.199 11.950 ( -3.678 -4.218 2.053) 5.961 12.134 ( -3.129 -2.080 -3.605) 5.207 17.908 ( 1.846 0.512 -0.514) 1.984 18.318 ( -3.557 2.535 0.809) 4.442 18.527 ( -3.257 0.974 0.427) 3.427 18.881 ( 0.036 -2.201 -3.071) 3.778 21.109 ( 2.186 -1.243 0.539) 2.572 21.165 ( -0.958 0.306 0.339) 1.061 28.045 ( 1.441 -0.237 -0.370) 1.506 28.230 ( -2.060 1.294 0.517) 2.488 36.437 ( 4.032 6.302 -0.833) 7.528 37.579 ( 2.919 -8.754 -6.975) 11.567 37.739 ( 6.209 5.110 0.422) 8.052 40.248 ( -12.402 1.653 0.365) 12.517 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 3.835 -1.669 1.749) 4.533 3.001 ( -2.274 4.898 -16.656) 17.510 3.444 ( 14.288 10.890 7.809) 19.588 3.802 ( 6.850 5.646 -7.803) 11.819 4.252 ( -3.854 5.307 7.803) 10.193 4.714 ( -1.029 1.865 -0.229) 2.142 5.543 ( -10.014 -8.301 -4.954) 13.919 5.983 ( -7.601 -0.140 1.053) 7.675 6.504 ( 14.545 9.108 1.180) 17.202 7.221 ( 5.650 1.829 4.487) 7.443 7.416 ( -3.296 -5.534 2.192) 6.804 7.559 ( -2.883 -1.310 -2.320) 3.925 10.259 ( 0.436 10.630 0.510) 10.651 10.669 ( 6.359 -3.645 5.268) 9.027 11.208 ( -2.540 -15.765 2.221) 16.122 11.815 ( -3.951 0.823 0.427) 4.059 11.911 ( 0.919 -0.172 -0.430) 1.029 12.074 ( -0.526 -0.585 -1.395) 1.602 17.967 ( 3.189 2.181 -0.809) 3.947 18.282 ( -2.807 0.524 1.071) 3.050 18.494 ( -1.443 0.336 0.046) 1.482 18.815 ( -2.415 -3.484 -2.491) 4.917 21.129 ( 0.846 -0.603 0.391) 1.110 21.160 ( 0.563 -0.833 0.364) 1.069 28.078 ( 2.303 0.636 -0.470) 2.435 28.201 ( -2.699 0.743 0.462) 2.837 36.625 ( 6.812 12.790 0.067) 14.491 37.472 ( -3.811 -6.592 -3.573) 8.411 37.893 ( 6.694 3.670 -1.491) 7.779 40.030 ( -13.182 0.151 -0.636) 13.199 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( -7.761 -2.126 -1.882) 8.265 2.973 ( 3.929 1.443 -7.106) 8.247 3.720 ( -7.519 -2.148 10.888) 13.405 3.797 ( 3.864 4.408 -5.109) 7.776 4.479 ( 9.108 20.304 -1.342) 22.294 4.780 ( 6.911 -2.062 2.435) 7.612 5.363 ( -3.438 6.582 -4.088) 8.477 5.763 ( -17.528 -1.216 1.834) 17.666 6.804 ( 8.872 4.678 0.752) 10.058 7.154 ( -9.144 -10.567 0.218) 13.975 7.341 ( 6.255 -0.065 1.744) 6.494 7.607 ( 1.595 2.918 -1.118) 3.509 10.384 ( 2.294 10.040 -1.077) 10.355 10.728 ( 3.476 -5.613 0.218) 6.605 10.944 ( -7.766 -16.620 0.533) 18.352 11.824 ( 3.421 -3.697 0.997) 5.135 11.925 ( -0.626 4.342 1.297) 4.575 12.108 ( 3.374 2.266 1.116) 4.215 18.029 ( 1.668 1.859 0.029) 2.498 18.254 ( -0.861 0.087 0.661) 1.089 18.482 ( -0.312 -0.381 -0.092) 0.501 18.728 ( -2.307 -2.968 -2.079) 4.295 21.133 ( -0.088 0.009 0.265) 0.279 21.168 ( 1.496 -1.827 0.164) 2.367 28.121 ( 1.768 1.441 -0.725) 2.394 28.164 ( -2.217 -0.112 0.666) 2.318 36.885 ( 6.973 14.205 1.159) 15.867 37.297 ( -10.362 -1.893 0.308) 10.538 37.981 ( 3.497 -2.662 -3.711) 5.752 39.856 ( -7.409 3.029 -0.431) 8.016 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -15.099 -1.187 -3.818) 15.619 3.067 ( 6.414 -3.431 1.664) 7.462 3.448 ( -16.879 -5.593 4.550) 18.354 3.857 ( -5.017 9.910 -7.101) 13.183 4.723 ( 0.400 7.919 0.172) 7.931 4.869 ( 9.277 -8.247 5.140) 13.435 5.437 ( -12.944 -1.206 2.183) 13.183 5.613 ( 9.172 20.950 -0.655) 22.879 6.748 ( -11.594 -3.289 1.894) 12.199 7.096 ( 5.147 -1.190 -4.904) 7.209 7.439 ( 2.298 1.098 -0.655) 2.629 7.634 ( 4.188 -3.854 1.433) 5.869 10.453 ( -6.456 -0.878 -2.547) 6.995 10.581 ( -3.167 -3.473 -1.880) 5.062 10.885 ( 10.817 -3.365 -1.195) 11.391 11.805 ( 0.410 -4.197 -1.419) 4.449 12.003 ( 2.461 2.967 2.719) 4.717 12.201 ( 2.788 1.668 2.407) 4.043 18.059 ( -0.369 2.156 2.180) 3.089 18.280 ( 2.911 1.809 -0.583) 3.476 18.444 ( -3.787 -1.636 -0.834) 4.209 18.682 ( 1.497 -2.554 -0.772) 3.059 21.133 ( 0.048 -0.033 0.045) 0.074 21.172 ( 1.109 -1.901 -0.086) 2.202 28.127 ( -1.816 -0.119 0.915) 2.037 28.160 ( 1.114 1.185 -0.923) 1.870 36.994 ( -10.329 1.538 0.218) 10.445 37.226 ( 0.806 12.261 5.001) 13.266 37.908 ( -1.707 -9.736 -4.482) 10.853 39.864 ( 1.912 7.552 0.391) 7.800 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -11.019 3.536 1.775) 11.708 2.863 ( -17.567 -16.375 1.586) 24.068 3.350 ( 3.536 1.748 -1.391) 4.183 3.801 ( -11.016 12.485 1.011) 16.681 4.714 ( -5.765 4.781 -0.331) 7.497 4.890 ( -0.608 -11.147 5.226) 12.326 5.382 ( 8.803 -2.733 2.865) 9.653 5.943 ( 7.008 11.448 -2.413) 13.638 6.544 ( -12.632 3.318 2.098) 13.228 7.103 ( 2.588 -4.471 -8.134) 9.636 7.391 ( -7.238 2.597 -1.147) 7.775 7.726 ( 9.929 -7.700 3.101) 12.942 10.215 ( -9.270 -5.264 -1.485) 10.763 10.595 ( 3.005 -0.226 -5.298) 6.095 11.121 ( 15.079 5.642 -2.378) 16.274 11.779 ( 1.342 -1.760 -1.061) 2.454 12.055 ( 0.747 -1.268 1.844) 2.359 12.224 ( -1.925 -0.391 2.035) 2.828 18.104 ( 0.180 4.889 3.234) 5.864 18.300 ( -6.739 -1.856 -4.014) 8.061 18.380 ( 3.656 2.442 1.074) 4.526 18.714 ( 4.657 -3.065 1.342) 5.734 21.132 ( 0.225 -0.773 -0.346) 0.876 21.169 ( 0.487 -0.934 -0.265) 1.086 28.099 ( -1.341 -1.257 0.751) 1.985 28.184 ( 0.475 2.082 -0.680) 2.241 36.764 ( -15.968 0.971 0.881) 16.021 37.406 ( 2.426 8.602 5.716) 10.609 37.745 ( -1.589 -11.710 -2.871) 12.161 40.031 ( 6.400 9.236 1.287) 11.310 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 5.758 11.151 13.578) 18.490 2.422 ( -11.928 -16.281 -4.729) 20.729 3.364 ( -1.575 -2.462 -1.583) 3.324 3.754 ( -9.744 7.250 7.350) 14.196 4.644 ( -2.298 -11.214 4.339) 12.242 4.796 ( -5.885 10.700 -3.537) 12.713 5.574 ( 15.422 -8.344 3.192) 17.822 5.998 ( -0.174 -6.560 -3.517) 7.446 6.422 ( -12.008 11.561 0.995) 16.698 7.032 ( 2.440 -8.112 -9.970) 13.082 7.304 ( -5.309 2.923 1.201) 6.178 7.794 ( 5.173 -8.516 2.434) 10.257 10.082 ( -2.301 -0.041 -1.402) 2.694 10.600 ( 2.736 -2.304 -7.160) 8.004 11.386 ( 7.940 6.519 -3.723) 10.927 11.818 ( 3.810 0.056 -0.006) 3.810 12.014 ( -1.097 -3.789 -0.243) 3.953 12.189 ( -3.392 1.252 3.600) 5.103 18.080 ( -9.509 -0.048 -1.251) 9.592 18.237 ( 3.090 4.388 0.303) 5.376 18.486 ( 3.554 3.939 0.983) 5.396 18.773 ( 4.427 -3.293 2.733) 6.157 21.118 ( 0.142 -1.968 -0.835) 2.142 21.172 ( 0.148 0.807 -0.381) 0.904 28.064 ( -1.386 -1.405 0.324) 2.000 28.213 ( 0.753 2.164 -0.198) 2.300 36.524 ( -12.369 -0.092 0.327) 12.374 37.509 ( 0.510 1.400 6.515) 6.683 37.628 ( 1.319 -9.794 -0.911) 9.924 40.232 ( 5.034 8.858 2.363) 10.459 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 4.008 -15.520 -10.369) 19.091 2.484 ( 19.121 13.242 22.616) 32.441 3.253 ( -4.812 -6.435 -2.107) 8.307 3.651 ( -10.339 -0.950 7.608) 12.872 4.426 ( -5.452 -16.073 -4.325) 17.515 4.928 ( 0.475 22.760 1.057) 22.790 5.634 ( 5.704 -25.335 -0.436) 25.973 5.925 ( 1.549 -0.904 -0.871) 1.994 6.353 ( -8.540 9.719 2.701) 13.217 6.952 ( 4.787 -9.982 -10.065) 14.962 7.290 ( 0.366 1.140 1.155) 1.663 7.750 ( -1.155 -9.264 1.746) 9.497 10.132 ( 5.567 6.255 -0.948) 8.427 10.574 ( 1.531 -2.661 -7.715) 8.303 11.411 ( -5.140 -1.909 -3.782) 6.661 11.829 ( 0.114 -2.214 1.584) 2.725 12.047 ( 1.758 4.891 -2.251) 5.664 12.170 ( -2.854 2.047 3.252) 4.787 17.931 ( -5.537 -0.361 -0.671) 5.589 18.348 ( 2.649 6.135 -0.428) 6.696 18.569 ( 0.751 4.175 0.976) 4.353 18.819 ( 2.591 -2.821 3.539) 5.215 21.093 ( 0.012 -2.250 -1.218) 2.558 21.184 ( -0.005 1.722 -0.501) 1.793 28.035 ( -0.812 -0.785 0.255) 1.158 28.245 ( 0.760 1.627 -0.078) 1.798 36.382 ( -3.119 -1.216 0.423) 3.374 37.488 ( -4.858 -8.311 9.703) 13.668 37.613 ( 7.444 -4.979 -3.345) 9.559 40.375 ( 0.197 7.980 3.517) 8.723 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 13.128 -12.947 -10.875) 21.407 3.000 ( 7.895 -11.586 12.776) 18.968 3.108 ( 6.940 5.042 3.898) 9.423 3.509 ( -5.108 -2.964 3.308) 6.769 4.174 ( -4.338 -11.755 -3.705) 13.066 5.180 ( 2.438 15.983 1.833) 16.271 5.399 ( 2.097 -23.862 -2.123) 24.048 5.874 ( -9.555 0.901 -0.561) 9.614 6.432 ( 5.941 5.539 6.248) 10.247 6.900 ( 6.640 -11.417 -8.881) 15.916 7.337 ( 4.715 -0.973 -0.306) 4.824 7.613 ( -4.427 -9.262 1.270) 10.344 10.352 ( 8.653 7.846 -2.018) 11.853 10.555 ( 3.358 4.353 -4.736) 7.256 11.201 ( -11.173 -6.128 -3.661) 13.258 11.832 ( 0.591 -3.519 3.065) 4.704 12.031 ( -6.883 4.438 -3.683) 8.980 12.161 ( -2.644 2.677 1.934) 4.230 17.910 ( 1.947 2.304 1.347) 3.304 18.420 ( -0.591 4.891 -0.588) 4.961 18.601 ( -1.642 3.923 0.026) 4.253 18.831 ( -0.512 -2.032 2.551) 3.301 21.066 ( 0.164 -2.180 -1.339) 2.564 21.198 ( -0.304 2.037 -0.532) 2.128 28.029 ( 0.379 0.057 0.426) 0.573 28.263 ( -0.060 0.801 -0.173) 0.822 36.420 ( 8.395 -0.843 1.200) 8.522 37.313 ( -7.993 -13.729 8.624) 18.076 37.705 ( 9.970 -4.187 -4.201) 11.601 40.425 ( -5.256 7.282 4.594) 10.087 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 -0.000 27.210) 27.210 1.305 ( 0.000 -0.000 27.210) 27.210 2.213 ( 0.000 -0.000 45.494) 45.494 3.297 ( -0.000 0.000 -10.077) 10.077 3.297 ( -0.000 0.000 -10.077) 10.077 5.367 ( -0.000 0.000 -3.914) 3.914 5.367 ( -0.000 0.000 -3.914) 3.914 5.666 ( -0.000 0.000 -11.891) 11.891 6.403 ( 0.000 -0.000 4.880) 4.880 6.403 ( 0.000 -0.000 4.880) 4.880 6.758 ( -0.000 0.000 -5.226) 5.226 7.252 ( 0.000 -0.000 0.136) 0.136 10.587 ( -0.000 0.000 -4.898) 4.898 10.587 ( -0.000 0.000 -4.898) 4.898 11.127 ( 0.000 -0.000 2.958) 2.958 11.127 ( 0.000 -0.000 2.958) 2.958 12.480 ( 0.000 -0.000 0.125) 0.125 12.578 ( -0.000 0.000 -1.366) 1.366 18.371 ( -0.000 0.000 -1.265) 1.265 18.371 ( -0.000 0.000 -1.265) 1.265 18.785 ( 0.000 -0.000 1.676) 1.676 18.785 ( 0.000 -0.000 1.676) 1.676 21.419 ( 0.000 -0.000 3.418) 3.418 22.192 ( -0.000 0.000 -2.801) 2.801 28.231 ( 0.000 -0.000 0.223) 0.223 28.266 ( -0.000 0.000 -0.317) 0.317 36.353 ( -0.000 0.000 -3.573) 3.573 36.353 ( -0.000 0.000 -3.573) 3.573 36.875 ( 0.000 -0.000 4.011) 4.011 36.875 ( 0.000 -0.000 4.011) 4.011 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 9.502 -8.311 22.475) 25.778 1.748 ( 8.562 0.777 28.375) 29.649 2.648 ( 12.344 18.474 27.766) 35.561 3.083 ( -3.765 2.368 -8.461) 9.558 3.502 ( 12.759 4.329 -8.973) 16.188 5.045 ( -21.291 -6.697 3.232) 22.552 5.284 ( -0.208 -2.842 -4.091) 4.986 5.750 ( 11.888 -0.456 -9.904) 15.480 6.375 ( -1.110 -4.440 4.214) 6.221 6.693 ( 4.819 7.904 -4.176) 10.155 6.726 ( 7.731 5.766 -0.164) 9.646 7.311 ( 5.054 4.840 0.539) 7.018 10.519 ( 8.524 -9.799 -5.699) 14.183 10.723 ( 1.914 5.677 -8.856) 10.692 11.017 ( -2.053 2.946 6.587) 7.503 11.354 ( 8.377 8.031 3.091) 12.009 12.389 ( -9.765 -5.162 -1.526) 11.150 12.516 ( -4.365 -2.040 -0.320) 4.828 18.342 ( 0.386 -2.656 -0.752) 2.787 18.367 ( -2.489 2.969 -1.459) 4.140 18.758 ( -1.522 -1.120 1.017) 2.146 18.808 ( 0.256 -1.292 0.749) 1.515 21.397 ( -3.419 -1.949 2.973) 4.932 21.943 ( -16.682 -9.571 4.917) 19.851 28.194 ( -3.633 -2.032 0.240) 4.169 28.237 ( -1.019 -0.838 -0.161) 1.329 36.381 ( -0.420 3.637 -3.876) 5.332 36.539 ( 13.578 12.140 -4.500) 18.761 36.920 ( 9.767 -4.279 3.562) 11.242 37.497 ( 43.579 27.124 -16.205) 53.828 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 23.235 -6.223 11.533) 26.676 1.977 ( 6.318 -2.656 27.443) 28.286 2.864 ( 3.041 8.276 -10.704) 13.868 3.341 ( 8.376 17.231 11.621) 22.408 3.654 ( 3.348 5.301 -7.057) 9.440 4.864 ( -2.587 5.737 10.734) 12.443 5.211 ( 0.011 -7.994 -6.740) 10.456 5.892 ( 12.211 0.068 -8.623) 14.948 6.313 ( -3.154 -4.472 -0.662) 5.512 6.737 ( 6.586 0.831 1.185) 6.744 6.997 ( 5.938 8.693 2.226) 10.761 7.518 ( 9.242 10.887 -1.346) 14.344 10.535 ( 1.436 -4.097 -7.253) 8.453 10.668 ( 6.279 -13.884 -2.100) 15.382 11.194 ( 5.547 15.135 1.493) 16.188 11.539 ( -1.186 6.030 8.344) 10.363 12.082 ( -11.566 -7.663 -4.393) 14.553 12.421 ( -5.375 -1.593 1.361) 5.769 18.269 ( -3.779 -3.656 -1.218) 5.398 18.393 ( -0.156 5.686 -0.852) 5.752 18.707 ( -2.946 -2.628 -0.462) 3.975 18.784 ( 0.337 -3.520 -0.162) 3.539 21.306 ( -5.439 -2.957 2.405) 6.642 21.646 ( -11.956 -6.938 7.326) 15.644 28.112 ( -3.052 -1.754 -0.559) 3.564 28.212 ( -1.003 -0.874 -0.098) 1.333 36.375 ( -1.043 2.327 -3.175) 4.072 36.891 ( 7.821 22.577 0.509) 23.899 37.139 ( 22.271 -9.196 0.045) 24.095 38.357 ( 38.404 23.657 -27.109) 52.625 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 22.062 -6.431 -0.444) 22.985 2.226 ( 10.143 1.146 20.858) 23.222 3.059 ( 15.217 8.677 -6.759) 18.776 3.468 ( -7.108 6.760 -8.226) 12.802 3.761 ( 1.245 12.361 7.946) 14.747 5.008 ( -4.033 9.031 -1.345) 9.982 5.132 ( 9.545 -6.336 1.081) 11.507 6.107 ( 15.113 -0.973 -1.948) 15.269 6.190 ( -5.304 -0.564 -3.628) 6.451 6.911 ( 10.738 0.094 2.019) 10.926 7.125 ( 0.554 3.901 4.569) 6.033 7.754 ( 6.487 10.282 -3.707) 12.710 10.400 ( -9.233 -0.169 -3.467) 9.864 10.683 ( 11.420 -18.665 0.621) 21.890 11.397 ( -8.979 3.634 5.155) 10.973 11.454 ( 0.246 6.135 4.443) 7.579 12.003 ( 4.819 2.324 -4.615) 7.066 12.323 ( -5.923 -0.405 2.638) 6.497 18.156 ( -4.709 -2.715 -1.279) 5.584 18.422 ( -2.663 4.123 0.197) 4.912 18.597 ( -4.259 -5.220 -2.456) 7.171 18.782 ( 3.030 -1.692 -0.523) 3.509 21.208 ( -4.057 -2.045 1.990) 4.960 21.460 ( -7.678 -4.594 4.571) 10.048 28.065 ( -0.608 -0.387 -0.893) 1.148 28.183 ( -1.396 -0.946 -0.108) 1.689 36.371 ( -0.609 2.646 -2.257) 3.531 37.206 ( 3.165 20.643 3.854) 21.237 37.447 ( 24.514 -9.386 -4.976) 26.717 38.979 ( 26.923 17.647 -19.490) 37.631 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 17.788 -10.399 -11.665) 23.678 2.516 ( 8.718 3.753 14.520) 17.347 3.258 ( -5.921 4.942 -4.981) 9.181 3.470 ( 15.394 4.743 -8.730) 18.322 3.954 ( 1.240 14.070 9.583) 17.069 4.939 ( -2.041 -0.752 -4.007) 4.559 5.341 ( 8.289 9.384 1.808) 12.651 6.061 ( -3.559 -3.159 -1.848) 5.105 6.335 ( 9.157 -1.395 -1.330) 9.358 7.079 ( 8.171 -1.666 1.885) 8.550 7.152 ( -1.861 0.614 5.184) 5.542 7.877 ( 0.687 7.547 -4.513) 8.820 10.225 ( -9.079 -0.933 -0.418) 9.136 10.659 ( 3.218 -13.729 6.533) 15.541 11.294 ( 1.232 -4.929 4.931) 7.080 11.625 ( 3.412 9.793 -0.127) 10.371 12.085 ( 2.742 3.436 -4.326) 6.167 12.241 ( -6.547 1.322 3.243) 7.425 18.060 ( -3.720 -1.058 -0.535) 3.904 18.375 ( -5.879 -0.127 1.433) 6.053 18.476 ( -1.222 -4.538 -3.635) 5.941 18.836 ( 3.694 0.789 -1.263) 3.983 21.153 ( -1.863 -0.842 1.240) 2.392 21.330 ( -5.489 -3.283 2.165) 6.753 28.076 ( 1.843 0.903 -0.670) 2.159 28.146 ( -1.890 -0.926 0.046) 2.105 36.382 ( -0.350 2.859 -1.402) 3.203 37.439 ( 3.395 11.866 3.990) 12.971 37.676 ( 14.987 -5.935 -9.270) 18.595 39.454 ( 20.361 13.603 -7.918) 25.736 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 16.731 -13.220 -18.256) 28.071 2.617 ( -6.338 -1.853 7.555) 10.034 3.239 ( 1.825 8.557 -5.171) 10.163 3.667 ( 8.735 -2.129 -7.400) 11.644 4.185 ( 4.566 14.490 8.557) 17.436 4.878 ( -6.436 2.612 -1.330) 7.072 5.641 ( 15.085 10.641 2.587) 18.641 5.984 ( -2.952 -0.640 0.212) 3.028 6.325 ( -2.866 -8.497 -3.930) 9.790 7.118 ( -2.340 -2.857 8.374) 9.152 7.200 ( 5.364 -1.625 -0.084) 5.605 7.906 ( -2.489 6.133 -2.908) 7.229 10.094 ( -4.882 -1.742 1.651) 5.440 10.622 ( 0.384 -7.670 8.470) 11.433 11.348 ( 6.612 -4.905 3.497) 8.945 11.751 ( 2.992 5.610 -0.263) 6.363 12.110 ( -2.584 1.666 -2.235) 3.801 12.153 ( -5.150 3.412 -0.875) 6.240 18.004 ( -3.269 0.803 0.981) 3.507 18.274 ( -3.170 -2.398 -0.135) 3.977 18.444 ( 1.900 -1.262 -1.641) 2.810 18.885 ( 1.940 0.440 -2.277) 3.024 21.136 ( -0.380 -0.120 0.603) 0.723 21.231 ( -3.952 -2.291 0.931) 4.662 28.102 ( -1.977 -0.277 -0.736) 2.127 28.132 ( 2.959 0.967 0.696) 3.190 36.396 ( -0.735 2.705 -0.736) 2.898 37.586 ( 3.554 2.685 3.064) 5.406 37.742 ( 3.944 -2.227 -11.121) 12.008 39.854 ( 15.909 10.071 -0.614) 18.839 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 18.480 -12.436 -19.270) 29.454 2.421 ( -11.394 -7.287 3.321) 13.926 3.319 ( -1.312 4.902 -2.832) 5.811 3.689 ( 0.111 1.694 -7.416) 7.608 4.481 ( 8.194 14.534 8.539) 18.743 4.730 ( -9.539 -1.085 -2.582) 9.941 5.910 ( 3.461 -8.053 1.193) 8.846 6.020 ( 1.311 -3.488 6.391) 7.398 6.125 ( -3.172 10.415 -7.452) 13.194 7.067 ( -3.731 -6.809 9.581) 12.332 7.259 ( 3.316 -0.509 -1.188) 3.559 7.878 ( -4.995 2.178 -1.359) 5.616 10.055 ( 1.223 -1.271 2.077) 2.725 10.598 ( -1.364 -4.496 8.109) 9.371 11.410 ( 2.228 -2.578 3.509) 4.891 11.835 ( 2.272 1.961 -0.415) 3.030 12.017 ( -4.496 0.435 0.813) 4.590 12.155 ( -0.184 4.275 -4.792) 6.425 17.960 ( -4.517 2.388 1.556) 5.341 18.257 ( 3.396 -0.813 -0.538) 3.533 18.489 ( 3.885 0.808 -0.256) 3.976 18.879 ( -0.249 -1.672 -3.367) 3.767 21.132 ( -1.012 -0.653 0.461) 1.290 21.169 ( -1.196 -0.586 0.508) 1.425 28.062 ( -1.956 -0.171 -0.200) 1.974 28.197 ( 2.991 0.907 0.394) 3.150 36.399 ( -1.618 2.357 -0.385) 2.885 37.632 ( 2.640 -6.137 -2.997) 7.322 37.677 ( -4.836 1.683 -5.158) 7.268 40.170 ( 11.646 6.831 0.657) 13.518 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -8.483 5.956 21.775) 24.116 2.001 ( -5.154 21.551 22.881) 31.852 2.787 ( 9.186 15.499 33.342) 37.899 3.005 ( 3.931 -5.973 -13.329) 15.126 3.422 ( -2.268 9.600 -9.631) 13.786 4.946 ( 2.965 -23.670 1.343) 23.893 5.431 ( 2.052 2.255 -7.322) 7.931 5.669 ( -9.182 13.651 -7.843) 18.226 6.423 ( -3.694 -3.945 3.158) 6.259 6.626 ( 6.066 9.524 1.546) 11.397 6.704 ( 0.166 3.312 -2.836) 4.364 7.288 ( 1.409 2.908 1.117) 3.419 10.430 ( -9.056 -4.226 -2.415) 10.281 10.688 ( 3.683 4.159 -8.487) 10.144 11.151 ( 0.005 8.067 6.782) 10.539 11.310 ( 3.341 8.278 0.361) 8.934 12.405 ( 0.473 -7.345 -1.504) 7.512 12.553 ( 0.255 0.027 -2.158) 2.174 18.288 ( 0.074 -5.270 -0.490) 5.293 18.393 ( 0.983 1.147 -1.045) 1.837 18.757 ( -0.147 -2.338 1.302) 2.680 18.820 ( -1.024 -0.051 0.479) 1.132 21.411 ( 0.019 -4.153 2.907) 5.069 21.963 ( 0.037 -16.989 3.318) 17.310 28.194 ( 0.058 -4.510 0.295) 4.520 28.238 ( -0.199 -0.898 -0.232) 0.949 36.270 ( 3.615 -1.841 -1.727) 4.409 36.462 ( -0.148 8.283 -2.530) 8.662 37.021 ( -4.619 7.925 2.245) 9.444 37.485 ( 1.329 54.944 -13.887) 56.687 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 1.112 16.578 18.197) 24.641 2.147 ( -6.331 7.276 27.636) 29.270 2.847 ( -1.911 1.476 -17.394) 17.560 3.389 ( 14.549 15.368 13.693) 25.206 3.546 ( 8.761 9.158 -6.251) 14.131 4.828 ( 4.792 -12.105 8.170) 15.370 5.295 ( -9.348 -0.967 -7.923) 12.291 5.730 ( 2.883 12.764 -7.808) 15.238 6.333 ( -3.553 -4.478 1.248) 5.851 6.693 ( 2.116 2.215 2.494) 3.950 6.945 ( 10.546 10.367 -1.197) 14.837 7.427 ( 9.176 5.439 0.225) 10.669 10.314 ( 2.344 -7.294 0.004) 7.662 10.678 ( -3.892 1.170 -4.459) 6.033 11.263 ( 2.833 10.924 3.716) 11.882 11.545 ( 9.010 9.068 1.213) 12.840 12.221 ( -11.912 -8.561 -4.471) 15.335 12.489 ( -4.694 -1.258 -0.581) 4.894 18.252 ( 0.630 -4.281 -1.359) 4.536 18.410 ( 1.179 1.663 -0.869) 2.217 18.726 ( -1.243 -3.121 1.382) 3.633 18.769 ( -3.288 -2.984 -0.081) 4.441 21.350 ( -2.987 -5.171 2.154) 6.348 21.753 ( -7.571 -13.167 5.685) 16.217 28.127 ( -2.104 -4.110 -0.154) 4.620 28.221 ( -0.789 -0.595 -0.116) 0.995 36.432 ( 6.809 4.637 -4.543) 9.408 36.573 ( 12.025 2.983 -0.836) 12.418 37.110 ( 2.933 12.130 3.817) 13.050 38.099 ( 17.965 46.726 -21.152) 54.346 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 1.987 20.924 10.370) 23.438 2.267 ( 1.307 4.792 21.500) 22.066 2.859 ( 10.448 3.907 -11.368) 15.927 3.639 ( -6.350 9.644 -3.612) 12.099 3.755 ( 14.120 6.274 0.538) 15.460 4.886 ( 3.573 -8.666 -3.673) 10.068 5.201 ( 0.514 8.792 6.802) 11.128 5.858 ( 7.186 -0.135 -5.910) 9.305 6.259 ( -2.862 3.996 -1.497) 5.139 6.812 ( 5.608 4.369 3.866) 8.092 7.148 ( 4.427 5.637 1.172) 7.263 7.657 ( 11.244 4.890 -2.596) 12.533 10.341 ( 9.298 -9.287 1.532) 13.230 10.568 ( -8.974 2.405 -0.971) 9.342 11.472 ( 6.094 10.459 2.382) 12.337 11.671 ( -10.234 -1.103 5.036) 11.459 11.927 ( -1.711 -1.020 -7.082) 7.356 12.398 ( -3.673 -2.600 1.240) 4.667 18.189 ( -2.833 -2.564 -2.288) 4.454 18.460 ( 1.640 2.303 -2.330) 3.664 18.648 ( -6.391 -3.204 1.373) 7.280 18.693 ( 1.923 -5.741 0.581) 6.082 21.254 ( -3.560 -3.946 1.553) 5.537 21.549 ( -7.121 -8.489 4.608) 12.000 28.066 ( -1.105 -1.929 -0.635) 2.311 28.199 ( -1.174 -0.460 -0.042) 1.262 36.476 ( -4.952 11.093 -3.132) 12.546 36.893 ( 25.329 -7.506 -4.334) 26.771 37.357 ( 5.418 16.773 5.581) 18.489 38.708 ( 20.431 31.629 -18.541) 41.971 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -3.126 9.729 -2.038) 10.420 2.541 ( 7.367 13.454 15.545) 21.839 3.123 ( 18.346 2.651 -3.612) 18.886 3.510 ( -12.455 7.135 -8.523) 16.694 4.046 ( 8.453 9.743 5.265) 13.932 4.839 ( 7.418 -4.188 -7.371) 11.265 5.370 ( 0.008 9.609 4.973) 10.820 5.891 ( 8.476 -14.336 -1.513) 16.723 6.317 ( -0.408 12.551 -4.102) 13.211 6.976 ( 6.188 3.738 3.615) 8.082 7.226 ( -0.799 2.490 3.444) 4.324 7.836 ( 7.390 2.415 -3.795) 8.651 10.417 ( -7.932 -1.173 2.344) 8.354 10.441 ( 6.526 -4.464 2.012) 8.158 11.359 ( -12.840 -8.201 4.140) 15.788 11.665 ( 2.985 9.231 1.120) 9.766 12.017 ( 6.265 2.623 -4.221) 7.997 12.334 ( -2.607 -1.721 2.344) 3.906 18.105 ( -3.319 -0.573 -2.645) 4.283 18.438 ( -1.562 -2.612 -3.576) 4.696 18.504 ( -8.243 -1.889 2.445) 8.803 18.735 ( 6.557 -2.947 0.440) 7.203 21.181 ( -2.303 -2.026 0.988) 3.222 21.393 ( -5.526 -5.616 2.438) 8.247 28.053 ( 1.013 0.144 -0.637) 1.205 28.172 ( -1.643 -0.300 0.101) 1.673 36.486 ( -4.922 11.114 -2.159) 12.345 37.180 ( 20.984 -8.404 -6.715) 23.580 37.619 ( 2.988 14.978 4.403) 15.895 39.222 ( 19.740 19.498 -9.398) 29.294 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -0.829 1.933 -11.150) 11.347 2.807 ( -3.413 13.337 10.459) 17.289 3.311 ( -2.385 2.823 -1.985) 4.195 3.434 ( 10.000 2.887 -9.169) 13.871 4.279 ( 4.476 12.123 5.558) 14.068 4.968 ( 3.239 6.397 -1.870) 7.410 5.486 ( 9.986 3.195 -0.298) 10.489 5.867 ( 6.096 -15.932 1.095) 17.093 6.368 ( -4.379 9.983 -6.442) 12.662 7.105 ( 3.521 1.285 3.104) 4.867 7.227 ( -3.071 1.428 5.684) 6.616 7.919 ( 3.053 0.220 -2.767) 4.127 10.249 ( -11.608 2.431 1.623) 11.970 10.537 ( 6.293 -5.991 6.671) 10.954 11.211 ( 1.913 -7.612 3.095) 8.437 11.766 ( 0.770 4.213 1.057) 4.411 12.090 ( 2.928 1.727 -4.799) 5.882 12.281 ( -4.488 -0.342 1.699) 4.811 18.054 ( -1.509 1.589 -2.355) 3.217 18.339 ( -5.691 -3.855 1.516) 7.039 18.404 ( -1.335 -0.725 -1.013) 1.826 18.811 ( 4.764 -2.189 -0.943) 5.327 21.146 ( -0.907 -0.716 0.491) 1.255 21.276 ( -4.088 -3.650 1.023) 5.575 28.090 ( 2.497 1.302 -0.800) 2.927 28.140 ( -1.939 -0.146 0.719) 2.073 36.504 ( -4.663 10.730 -1.333) 11.775 37.371 ( 14.456 -6.174 -7.465) 17.401 37.765 ( -1.463 8.890 1.773) 9.182 39.658 ( 17.817 10.725 -1.755) 20.869 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 5.250 -0.428 -15.139) 16.029 2.710 ( -19.328 5.401 4.065) 20.476 3.360 ( 1.551 3.578 0.264) 3.909 3.596 ( 9.151 6.117 -7.462) 13.298 4.504 ( 5.723 11.956 3.610) 13.738 4.926 ( -10.899 2.912 -2.452) 11.545 5.696 ( 7.416 -13.043 -1.675) 15.097 5.895 ( 13.756 -1.660 5.384) 14.865 6.323 ( -7.856 12.176 -5.752) 15.590 7.118 ( -2.789 -4.682 7.731) 9.459 7.249 ( -0.148 4.927 1.467) 5.143 7.913 ( -0.818 -3.694 -1.749) 4.168 10.120 ( -7.057 2.271 2.162) 7.722 10.592 ( 1.848 -3.929 7.427) 8.603 11.262 ( 9.419 -7.160 2.709) 12.138 11.801 ( 1.306 -0.182 0.479) 1.403 12.097 ( -1.860 -0.395 -2.529) 3.164 12.203 ( -4.304 2.680 -1.621) 5.323 18.061 ( -0.495 4.272 -0.999) 4.415 18.232 ( -3.880 -1.312 1.624) 4.406 18.417 ( 3.829 -1.002 -0.608) 4.005 18.828 ( 1.469 -3.705 -2.269) 4.586 21.137 ( -0.126 -0.231 0.281) 0.385 21.194 ( -2.639 -2.021 0.509) 3.363 28.097 ( -1.976 0.399 -0.742) 2.148 28.159 ( 2.748 0.992 0.906) 3.058 36.520 ( -5.162 10.487 -0.679) 11.708 37.477 ( 7.959 -3.140 -7.106) 11.122 37.761 ( -5.401 1.623 0.359) 5.651 40.003 ( 14.555 4.480 0.587) 15.240 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -8.807 16.566 14.188) 23.522 2.358 ( 2.290 25.813 11.490) 28.347 2.769 ( 8.752 4.201 4.326) 10.628 3.107 ( -13.826 1.010 12.718) 18.814 3.503 ( -5.319 -0.619 -10.525) 11.809 4.734 ( -1.055 -14.240 5.036) 15.141 5.390 ( 3.178 9.492 -4.101) 10.818 5.886 ( -2.670 11.930 -10.466) 16.093 6.348 ( 2.239 -6.383 -1.422) 6.912 6.758 ( -2.150 8.150 1.039) 8.492 6.821 ( -11.930 5.898 3.890) 13.865 7.357 ( -5.935 2.188 1.832) 6.586 10.577 ( 5.444 0.404 -7.080) 8.940 10.635 ( -15.669 0.258 -6.724) 17.053 11.211 ( 6.558 14.539 6.134) 17.089 11.444 ( -7.893 1.250 5.409) 9.650 12.210 ( 10.658 -9.087 -4.030) 14.574 12.477 ( 5.820 -1.488 -0.050) 6.007 18.246 ( -1.920 -6.963 -0.599) 7.248 18.363 ( 2.451 0.714 0.230) 2.563 18.735 ( 1.281 -1.312 -0.116) 1.838 18.818 ( 0.739 -0.977 -0.565) 1.349 21.348 ( 3.103 -5.355 2.216) 6.574 21.754 ( 7.514 -13.038 5.714) 16.097 28.127 ( 2.092 -4.122 -0.140) 4.625 28.226 ( 0.695 -0.369 -0.265) 0.830 36.337 ( -7.535 0.534 -1.800) 7.766 36.539 ( -5.588 3.014 0.347) 6.359 37.253 ( -9.455 15.490 0.609) 18.158 38.079 ( -16.974 47.072 -21.679) 54.533 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -4.650 17.129 10.993) 20.878 2.488 ( -5.489 9.302 13.340) 17.164 2.835 ( -9.014 1.602 -6.879) 11.452 3.299 ( 8.239 5.417 -4.396) 10.796 3.527 ( 11.701 16.459 7.480) 21.535 4.676 ( 5.035 -7.843 8.976) 12.939 5.331 ( -8.660 -2.077 -10.585) 13.832 5.942 ( -4.832 18.660 -6.838) 20.453 6.279 ( 2.427 -9.912 -0.471) 10.215 6.761 ( -2.833 6.730 5.456) 9.115 6.913 ( 3.979 12.578 0.741) 13.213 7.374 ( 2.222 3.624 3.135) 5.282 10.353 ( -10.958 -2.753 -0.406) 11.306 10.673 ( 5.249 3.555 -5.127) 8.154 11.363 ( -3.636 3.464 6.427) 8.157 11.512 ( 6.837 12.355 0.646) 14.136 12.183 ( 1.153 -10.821 -6.004) 12.428 12.527 ( -0.218 -0.574 -2.988) 3.050 18.172 ( 1.418 -6.251 0.539) 6.432 18.397 ( 1.030 -0.041 -0.127) 1.039 18.721 ( -1.156 -2.366 -0.357) 2.657 18.790 ( -1.428 -2.578 -0.147) 2.951 21.327 ( 0.100 -6.226 1.774) 6.475 21.705 ( -0.055 -13.753 4.875) 14.592 28.100 ( 0.029 -4.435 -0.085) 4.436 28.223 ( -0.245 -0.491 -0.416) 0.688 36.253 ( 2.862 0.833 -0.084) 2.982 36.678 ( 2.701 14.390 1.642) 14.733 37.207 ( -5.644 9.605 0.432) 11.149 38.348 ( 0.403 49.498 -20.936) 53.745 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 8.838 21.776 10.549) 25.760 2.501 ( -13.016 2.877 20.117) 24.133 2.718 ( 1.332 7.405 -12.886) 14.921 3.458 ( 18.020 -0.908 -9.316) 20.306 3.815 ( -2.775 12.403 -0.464) 12.718 4.842 ( 1.516 2.809 7.431) 8.088 5.138 ( 5.216 -4.393 -4.554) 8.200 5.912 ( -9.714 4.114 -2.172) 10.770 6.318 ( 3.748 8.041 -2.233) 9.148 6.846 ( 0.437 8.127 5.643) 9.904 7.111 ( 6.316 7.570 -0.230) 9.861 7.506 ( 8.002 1.991 1.490) 8.380 10.225 ( -1.344 -3.770 2.332) 4.632 10.724 ( -3.689 5.276 0.286) 6.444 11.452 ( 6.490 5.461 2.653) 8.887 11.708 ( 4.380 4.848 1.693) 6.749 11.990 ( -8.333 -6.869 -9.006) 14.061 12.434 ( -5.045 -3.675 -1.346) 6.385 18.160 ( 1.828 -3.593 -1.520) 4.308 18.417 ( 2.309 -0.410 0.383) 2.376 18.641 ( -2.318 -6.165 -0.974) 6.658 18.729 ( -4.187 -1.177 1.419) 4.575 21.262 ( -1.712 -5.057 1.181) 5.468 21.568 ( -3.764 -10.842 3.789) 12.086 28.057 ( -0.647 -2.503 -0.239) 2.596 28.209 ( -0.607 -0.511 -0.402) 0.889 36.427 ( 15.783 0.545 -2.732) 16.027 36.776 ( -8.677 14.922 0.980) 17.289 37.368 ( 10.619 9.901 4.875) 15.315 38.748 ( 6.301 39.406 -18.515) 43.992 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -16.320 8.881 6.084) 19.551 2.610 ( 15.803 14.588 10.705) 24.024 2.883 ( 8.440 10.759 -0.268) 13.677 3.746 ( -4.763 4.596 -5.407) 8.546 3.820 ( 19.685 6.305 -6.501) 21.668 4.731 ( -4.906 -0.589 -4.622) 6.766 5.392 ( 13.828 -0.119 6.034) 15.087 5.732 ( -8.610 -4.833 -1.646) 10.010 6.464 ( -0.475 16.298 -3.177) 16.611 6.975 ( 2.556 7.021 5.063) 9.025 7.245 ( 3.005 3.252 1.231) 4.596 7.668 ( 10.053 -1.235 -1.138) 10.193 10.244 ( 5.887 -4.388 3.910) 8.319 10.666 ( -9.842 5.959 2.568) 11.789 11.523 ( -11.946 -8.708 0.281) 14.786 11.706 ( 3.198 7.889 -1.876) 8.716 11.912 ( 4.803 2.337 -2.779) 6.021 12.328 ( -1.248 -5.537 -0.057) 5.676 18.126 ( -1.452 -1.037 -3.454) 3.888 18.425 ( -1.687 -2.844 -2.569) 4.188 18.586 ( 4.511 -6.159 1.983) 7.888 18.639 ( -5.989 0.300 2.526) 6.507 21.196 ( -1.751 -2.966 0.636) 3.503 21.423 ( -4.255 -7.642 2.175) 9.013 28.039 ( 0.382 -0.123 -0.271) 0.484 28.190 ( -0.868 -0.419 -0.250) 0.996 36.698 ( 9.384 8.472 -5.564) 13.813 36.770 ( 1.167 4.457 -0.666) 4.655 37.682 ( 8.936 9.472 7.879) 15.219 39.132 ( 10.254 26.618 -11.851) 30.889 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -13.716 6.725 -0.952) 15.305 3.025 ( 11.070 11.270 9.154) 18.258 3.133 ( 6.673 10.044 2.243) 12.266 3.574 ( -13.665 8.264 -9.057) 18.359 4.260 ( 17.456 9.267 1.198) 19.799 4.794 ( 14.520 4.580 -3.407) 15.601 5.504 ( -6.220 2.263 0.119) 6.620 5.574 ( 6.564 -16.037 -1.007) 17.358 6.557 ( -5.103 15.838 -4.412) 17.215 7.094 ( 2.422 2.971 3.377) 5.109 7.302 ( -0.249 2.089 4.458) 4.929 7.790 ( 7.920 -4.037 -1.902) 9.091 10.350 ( 7.545 -4.102 4.820) 9.848 10.551 ( -11.821 6.721 2.597) 13.844 11.208 ( -9.893 -9.122 0.489) 13.466 11.816 ( -0.287 4.940 1.394) 5.141 12.004 ( 5.616 0.072 -3.640) 6.693 12.284 ( 1.394 -4.311 -0.626) 4.574 18.076 ( -1.644 0.798 -4.046) 4.440 18.336 ( -1.649 -4.138 -1.018) 4.569 18.507 ( -7.102 -1.191 2.028) 7.481 18.689 ( 6.084 -2.214 1.586) 6.666 21.155 ( -1.000 -1.288 0.230) 1.647 21.303 ( -3.531 -5.004 0.925) 6.194 28.063 ( 1.757 1.397 -0.268) 2.261 28.169 ( -1.238 -0.260 0.105) 1.269 36.736 ( -8.175 15.335 -1.367) 17.432 37.002 ( 18.766 -2.472 -6.921) 20.154 37.880 ( 0.801 6.221 6.502) 9.034 39.491 ( 13.252 14.438 -4.131) 20.028 ======================= Grid point 510 (253/294) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -10.092 7.936 -3.481) 13.302 3.162 ( -18.951 9.837 0.112) 21.352 3.263 ( 8.447 -1.014 2.222) 8.793 3.549 ( 4.672 15.073 -2.983) 16.060 4.546 ( 5.568 10.877 2.832) 12.544 5.067 ( 1.365 3.295 -4.470) 5.719 5.439 ( 4.191 -7.217 -2.873) 8.827 5.601 ( 16.663 -6.290 1.960) 17.918 6.559 ( -8.404 13.502 -4.528) 16.536 7.133 ( 0.110 -2.986 4.550) 5.443 7.341 ( -1.506 4.879 4.498) 6.805 7.822 ( 3.381 -7.645 -2.018) 8.599 10.337 ( -10.946 4.070 2.759) 12.000 10.537 ( 3.909 -0.652 4.939) 6.333 11.068 ( 3.079 -9.436 1.907) 10.107 11.816 ( -2.448 0.076 1.258) 2.753 12.057 ( 3.194 -0.781 -3.603) 4.878 12.257 ( -0.768 -1.773 -1.630) 2.528 18.059 ( 0.708 1.986 -3.953) 4.480 18.303 ( 0.721 -2.141 2.292) 3.218 18.399 ( -5.495 0.634 0.744) 5.581 18.744 ( 2.974 -3.687 -0.202) 4.741 21.138 ( -0.236 -0.389 0.058) 0.459 21.217 ( -2.549 -2.962 0.367) 3.925 28.108 ( 1.212 1.588 -1.229) 2.345 28.151 ( -0.417 0.022 1.315) 1.380 36.747 ( -7.136 14.570 -1.024) 16.256 37.234 ( 14.301 -0.117 -7.111) 15.972 37.893 ( -6.386 1.205 4.185) 7.730 39.804 ( 13.565 5.063 -0.153) 14.480 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -5.828 17.368 6.699) 19.506 2.592 ( 9.695 32.341 12.537) 36.015 2.832 ( -10.607 7.543 -2.749) 13.302 3.287 ( -5.120 -7.436 -6.739) 11.265 3.551 ( -10.590 -7.085 6.296) 14.212 4.758 ( -9.904 -7.673 3.086) 12.903 5.381 ( 10.862 12.296 -3.690) 16.816 5.988 ( -8.634 0.340 -5.325) 10.150 6.263 ( 1.982 2.395 -1.901) 3.644 6.936 ( -5.475 10.634 1.191) 12.020 7.058 ( -7.147 4.181 3.730) 9.081 7.529 ( -10.703 0.823 0.016) 10.735 10.420 ( 6.858 -2.377 -5.601) 9.168 10.862 ( -10.545 3.898 -7.951) 13.770 11.309 ( 1.401 12.679 6.406) 14.274 11.516 ( 3.602 -8.865 11.722) 15.132 11.969 ( 3.117 -0.945 -6.593) 7.353 12.358 ( 5.391 -4.171 2.143) 7.145 18.180 ( 1.828 -5.295 -1.949) 5.931 18.356 ( -1.076 -1.627 2.331) 3.040 18.674 ( 4.690 -0.477 -2.041) 5.137 18.788 ( 0.065 -1.436 -1.185) 1.863 21.249 ( 3.580 -4.233 1.759) 5.817 21.552 ( 7.110 -8.238 4.503) 11.777 28.065 ( 1.066 -2.003 -0.610) 2.350 28.205 ( 1.393 -0.234 -0.242) 1.433 36.395 ( 2.377 6.461 -1.556) 7.058 36.776 ( -21.184 -5.438 1.685) 21.935 37.586 ( -7.573 20.242 -1.893) 21.695 38.668 ( -20.044 30.315 -18.354) 40.714 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -11.267 7.017 3.067) 13.623 2.646 ( -3.846 13.817 -4.980) 15.182 3.080 ( -9.440 -1.419 -1.460) 9.657 3.232 ( -1.972 5.352 1.180) 5.825 3.519 ( 15.111 19.456 11.277) 27.094 4.622 ( -1.040 -3.356 4.844) 5.984 5.499 ( -11.469 4.212 -5.622) 13.449 5.933 ( 12.043 1.486 -5.824) 13.460 6.227 ( -5.586 -1.301 -2.221) 6.151 6.924 ( -4.895 7.867 1.801) 9.439 7.065 ( -4.368 12.017 3.083) 13.152 7.461 ( -3.829 5.561 5.411) 8.653 10.538 ( 8.999 2.180 -4.386) 10.245 10.557 ( -15.141 -2.579 -4.067) 15.888 11.480 ( -3.074 -4.503 10.463) 11.799 11.559 ( 3.489 13.565 0.841) 14.031 11.981 ( 5.302 -6.999 -7.482) 11.535 12.447 ( 6.415 -1.486 -0.806) 6.634 18.108 ( -0.842 -6.791 0.927) 6.905 18.373 ( 1.645 -0.408 1.057) 1.998 18.713 ( -0.387 -0.890 -1.552) 1.830 18.755 ( 1.648 -3.413 -1.366) 4.029 21.258 ( 1.918 -5.150 1.370) 5.664 21.571 ( 3.608 -10.665 3.665) 11.841 28.055 ( 0.686 -2.599 -0.166) 2.693 28.215 ( 0.403 -0.398 -0.677) 0.883 36.357 ( -11.482 1.696 1.256) 11.674 36.697 ( 8.498 10.862 2.633) 14.040 37.525 ( -16.006 12.539 -0.534) 20.340 38.730 ( -4.694 39.526 -18.367) 43.837 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 5.328 -0.355 -3.680) 6.485 2.766 ( -2.056 7.633 12.137) 14.485 2.925 ( -9.742 11.992 -3.702) 15.888 3.173 ( 4.225 -2.232 -7.250) 8.683 3.965 ( 1.708 16.086 1.642) 16.259 4.783 ( 14.712 7.106 8.248) 18.302 5.188 ( -17.483 -1.856 -6.370) 18.700 6.066 ( -7.081 -5.743 0.475) 9.129 6.232 ( 13.928 10.728 -4.160) 18.066 6.972 ( -1.229 9.324 2.727) 9.792 7.138 ( -0.298 8.665 0.591) 8.690 7.508 ( -1.896 5.832 6.602) 9.010 10.295 ( -9.225 -3.677 0.526) 9.945 10.738 ( 8.589 5.973 -1.777) 10.612 11.439 ( -0.394 -0.764 4.124) 4.212 11.710 ( 2.044 4.815 0.786) 5.289 11.931 ( 0.892 -4.563 -7.724) 9.016 12.459 ( -2.014 -3.413 -3.112) 5.039 18.071 ( 2.530 -4.814 1.477) 5.635 18.393 ( 0.916 -0.529 0.739) 1.290 18.619 ( -3.142 -6.760 -2.221) 7.779 18.768 ( -0.211 0.559 0.309) 0.673 21.231 ( 0.103 -4.597 0.850) 4.676 21.510 ( -0.138 -10.327 2.598) 10.649 28.040 ( 0.061 -1.525 0.162) 1.535 28.206 ( -0.218 -0.691 -0.957) 1.200 36.290 ( 1.163 2.362 0.734) 2.733 37.017 ( 6.561 14.809 6.886) 17.600 37.392 ( -7.740 9.599 -1.237) 12.393 38.994 ( 0.301 36.816 -16.159) 40.207 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 20.385 -4.406 0.803) 20.871 2.711 ( -9.954 1.506 12.406) 15.977 3.073 ( 0.013 25.846 3.251) 26.050 3.322 ( 20.563 -0.409 -11.743) 23.684 3.986 ( -8.044 9.077 -5.012) 13.123 4.896 ( -12.125 0.721 -3.661) 12.686 5.152 ( 12.951 4.673 4.808) 14.583 5.886 ( -9.597 -2.718 1.624) 10.106 6.525 ( 9.529 10.996 -2.705) 14.800 7.068 ( -0.519 8.687 3.889) 9.531 7.228 ( 3.385 4.997 -1.249) 6.163 7.556 ( 0.546 0.967 4.320) 4.461 10.187 ( -0.854 -3.008 2.257) 3.856 10.851 ( -2.400 4.365 3.448) 6.058 11.524 ( 5.657 -0.159 -0.649) 5.696 11.685 ( -2.061 -0.770 -7.710) 8.018 11.908 ( 0.062 2.870 -0.374) 2.895 12.315 ( -5.532 -6.950 -1.738) 9.051 18.088 ( 2.306 -2.357 -1.349) 3.563 18.410 ( 0.481 -0.813 0.330) 1.000 18.491 ( -0.814 -7.720 -0.099) 7.763 18.745 ( -3.951 1.139 1.533) 4.388 21.189 ( -0.740 -3.039 0.326) 3.144 21.408 ( -2.118 -8.233 1.494) 8.632 28.036 ( 0.124 0.335 0.343) 0.495 28.190 ( -0.207 -0.806 -0.940) 1.255 36.422 ( 11.659 1.122 -1.661) 11.830 37.098 ( -12.618 15.724 1.624) 20.226 37.584 ( 14.274 6.019 6.797) 16.917 39.262 ( 1.285 29.402 -11.740) 31.685 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -5.701 1.134 1.943) 6.129 2.791 ( 12.779 -1.532 9.829) 16.194 3.353 ( 1.174 21.719 7.497) 23.006 3.705 ( 20.835 1.181 -9.320) 22.855 3.932 ( 3.089 11.705 -8.551) 14.822 4.787 ( -3.823 6.554 1.067) 7.662 5.303 ( 5.804 -6.957 -0.020) 9.060 5.714 ( -10.817 1.823 -0.188) 10.971 6.722 ( 2.666 10.326 -2.292) 10.908 7.132 ( -1.849 5.228 1.220) 5.678 7.328 ( 2.065 3.912 2.932) 5.307 7.603 ( 6.248 -4.936 0.692) 7.992 10.219 ( 5.655 -2.129 3.019) 6.755 10.811 ( -8.266 3.873 4.593) 10.219 11.340 ( -14.438 -5.625 -4.756) 16.208 11.805 ( 9.399 3.913 -4.306) 11.054 11.935 ( -0.640 0.986 2.023) 2.340 12.188 ( 0.766 -7.023 -2.240) 7.411 18.074 ( -0.157 -1.156 -3.157) 3.365 18.334 ( -3.062 -3.638 -1.640) 5.030 18.507 ( 3.977 -4.055 2.408) 6.169 18.692 ( -4.241 2.032 2.835) 5.491 21.156 ( -0.686 -1.468 -0.049) 1.621 21.305 ( -2.441 -5.755 0.623) 6.282 28.056 ( 0.913 1.630 0.424) 1.916 28.175 ( -0.248 -0.631 -0.696) 0.972 36.653 ( 16.249 -0.649 -3.545) 16.644 37.054 ( -10.619 16.670 -0.891) 19.785 37.875 ( 9.281 1.830 8.882) 12.976 39.493 ( 3.164 19.724 -6.003) 20.859 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -11.817 7.097 2.227) 13.963 3.012 ( 11.346 -5.500 4.212) 13.293 3.599 ( -2.200 15.830 7.209) 17.533 3.652 ( -9.115 9.408 -8.618) 15.680 4.415 ( 27.100 6.600 -2.489) 28.003 4.883 ( 7.174 2.121 0.478) 7.497 5.301 ( 7.040 -7.547 0.477) 10.332 5.558 ( -11.119 7.276 -3.529) 13.748 6.790 ( -4.409 9.620 -2.539) 10.883 7.122 ( -1.950 -1.101 1.461) 2.674 7.395 ( 1.397 1.250 3.746) 4.188 7.660 ( 5.871 -6.458 -0.957) 8.780 10.344 ( 8.264 -0.776 3.149) 8.878 10.708 ( -11.616 4.916 3.734) 13.154 11.038 ( -10.083 -7.316 -1.192) 12.514 11.883 ( -3.828 0.605 1.004) 4.003 11.947 ( 5.992 -2.431 -3.046) 7.148 12.178 ( 4.383 -3.466 -3.386) 6.534 18.050 ( 0.171 0.007 -2.735) 2.740 18.270 ( -0.350 -1.931 -0.316) 1.988 18.492 ( -2.623 -1.567 1.035) 3.226 18.693 ( 0.146 0.202 2.615) 2.627 21.138 ( -0.307 -0.460 -0.188) 0.584 21.224 ( -1.964 -3.603 0.162) 4.107 28.098 ( 1.561 1.970 0.208) 2.522 28.161 ( -0.539 -0.453 -0.208) 0.734 36.891 ( 12.287 0.381 -2.168) 12.483 37.070 ( -3.847 15.535 -3.640) 16.413 37.991 ( -0.534 -1.408 6.947) 7.109 39.695 ( 6.049 9.659 -1.389) 11.481 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -1.937 15.682 -3.537) 16.192 2.779 ( 12.207 30.617 12.527) 35.261 3.109 ( -6.262 -4.912 -5.583) 9.722 3.287 ( -15.246 9.405 -9.125) 20.104 3.733 ( -12.677 -7.208 11.878) 18.808 4.875 ( -8.036 -3.691 -2.226) 9.120 5.277 ( 5.742 4.818 -2.093) 7.782 5.984 ( -1.948 -10.969 -4.779) 12.122 6.423 ( -5.368 14.919 3.458) 16.228 7.102 ( -4.073 3.219 1.851) 5.511 7.190 ( -0.849 8.757 1.634) 8.949 7.673 ( -7.927 -3.467 -3.598) 9.371 10.265 ( 6.129 -2.080 -2.718) 7.020 10.929 ( 4.795 3.701 -1.277) 6.190 11.393 ( 1.967 -5.036 7.052) 8.886 11.460 ( -4.158 6.466 5.306) 9.340 11.992 ( -4.575 0.789 -4.430) 6.417 12.241 ( 4.019 -6.441 3.051) 8.182 18.087 ( 3.073 -2.732 -1.118) 4.261 18.358 ( -0.183 -3.925 2.506) 4.660 18.560 ( 6.249 0.439 -3.389) 7.122 18.792 ( -2.679 -1.049 -1.556) 3.271 21.176 ( 2.166 -2.231 1.239) 3.347 21.396 ( 5.662 -5.469 2.246) 8.186 28.053 ( -1.098 0.148 -0.758) 1.342 28.173 ( 1.934 -0.321 0.085) 1.962 36.407 ( 2.936 6.907 -0.685) 7.536 37.097 ( -21.400 -5.612 1.767) 22.194 37.820 ( 0.215 17.905 -6.859) 19.175 39.177 ( -20.825 17.728 -7.763) 28.430 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -9.273 0.308 1.115) 9.345 2.896 ( -10.643 12.587 -9.215) 18.884 3.100 ( -7.984 3.560 -10.000) 13.282 3.486 ( -9.257 7.660 13.469) 18.049 3.518 ( 14.980 21.526 10.515) 28.255 4.687 ( -7.302 -0.517 -0.809) 7.365 5.525 ( 14.085 5.651 -2.732) 15.420 5.770 ( -4.758 -12.741 -4.227) 14.242 6.395 ( -11.980 6.995 1.039) 13.911 7.063 ( -3.722 4.208 -0.038) 5.618 7.254 ( -3.670 9.460 0.419) 10.156 7.600 ( -1.654 5.282 3.191) 6.389 10.376 ( 9.032 2.800 -4.319) 10.396 10.764 ( -14.828 -5.223 -4.792) 16.436 11.403 ( 5.626 -12.599 7.588) 15.747 11.643 ( 3.380 13.050 3.877) 14.027 11.912 ( -3.099 1.001 -3.785) 4.994 12.304 ( 7.637 -3.376 1.706) 8.523 18.070 ( -0.613 -4.558 0.344) 4.612 18.347 ( 1.222 -2.105 2.279) 3.335 18.653 ( 5.806 -0.490 -2.205) 6.230 18.715 ( -2.543 -2.693 -2.437) 4.434 21.190 ( 1.817 -3.011 0.988) 3.653 21.428 ( 4.302 -7.511 1.873) 8.856 28.037 ( -0.435 -0.179 -0.163) 0.498 28.195 ( 1.079 -0.371 -0.588) 1.283 36.576 ( -0.149 10.685 2.058) 10.883 36.736 ( -11.138 0.185 1.561) 11.249 37.868 ( -9.633 11.325 -3.266) 15.223 39.091 ( -8.922 26.697 -9.961) 29.859 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -12.786 -7.712 -5.913) 16.060 2.890 ( -5.202 8.428 -3.615) 10.543 3.055 ( 0.312 11.964 -2.571) 12.241 3.265 ( -10.334 -4.761 8.231) 14.043 4.096 ( 5.200 21.375 2.786) 22.174 4.706 ( 6.304 10.395 1.427) 12.240 5.428 ( -13.051 -4.446 -1.781) 13.902 5.913 ( 18.220 0.400 -1.363) 18.275 6.238 ( -8.907 2.028 0.310) 9.140 7.071 ( -1.349 6.372 -1.545) 6.694 7.262 ( -4.147 5.954 0.448) 7.269 7.678 ( -2.457 9.091 6.527) 11.458 10.434 ( -12.490 -6.903 -1.120) 14.315 10.587 ( 11.882 6.214 -4.987) 14.306 11.392 ( 3.749 -9.964 2.756) 10.996 11.750 ( -2.021 5.487 -2.368) 6.309 11.894 ( 0.002 2.797 1.037) 2.983 12.394 ( 4.260 -3.044 -1.309) 5.396 18.019 ( -0.245 -3.877 2.569) 4.657 18.369 ( 1.823 -0.853 0.908) 2.208 18.588 ( -2.923 -7.702 -2.813) 8.705 18.753 ( 3.281 2.361 -0.661) 4.096 21.187 ( 0.864 -3.039 0.562) 3.209 21.412 ( 1.971 -8.173 1.267) 8.503 28.035 ( -0.093 0.360 0.498) 0.622 28.194 ( 0.074 -0.820 -1.243) 1.491 36.417 ( -11.620 2.419 2.111) 12.055 36.971 ( 13.452 12.121 5.785) 19.009 37.718 ( -15.738 8.084 -1.737) 17.778 39.254 ( -0.456 29.636 -10.692) 31.509 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 10.650 -5.566 1.904) 12.167 2.837 ( -2.907 -1.826 -0.721) 3.507 3.110 ( -0.895 2.048 -0.343) 2.261 3.299 ( 2.814 16.356 3.433) 16.948 4.170 ( -6.772 8.544 -4.245) 11.700 4.911 ( 2.045 0.791 -2.254) 3.144 5.289 ( -6.336 14.318 3.719) 16.093 5.993 ( -5.329 -2.557 2.036) 6.251 6.341 ( 15.809 2.072 -1.134) 15.984 7.130 ( 2.626 5.772 -1.208) 6.456 7.245 ( -2.450 2.908 -0.921) 3.912 7.714 ( -7.074 7.375 6.076) 11.890 10.213 ( -5.767 -5.081 0.189) 7.689 10.814 ( 9.741 2.336 -2.774) 10.394 11.408 ( 6.120 -1.937 -1.788) 6.663 11.711 ( -4.032 2.836 -5.235) 7.190 11.940 ( -0.096 2.961 3.849) 4.857 12.332 ( -4.514 -6.698 -2.471) 8.447 18.022 ( 2.120 -1.856 1.632) 3.256 18.397 ( 1.472 0.119 0.991) 1.779 18.441 ( -2.949 -8.453 -2.377) 9.263 18.802 ( -0.216 1.919 1.031) 2.189 21.170 ( 0.034 -2.255 0.102) 2.257 21.355 ( -0.111 -7.313 0.659) 7.344 28.046 ( -0.019 1.321 0.985) 1.648 28.176 ( -0.094 -1.048 -1.585) 1.902 36.346 ( -0.699 2.291 0.802) 2.526 37.342 ( 10.466 8.880 10.403) 17.223 37.548 ( -9.584 8.297 -2.617) 12.943 39.485 ( -0.044 26.786 -8.614) 28.137 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 21.414 0.598 11.774) 24.445 2.761 ( -1.781 -5.156 5.337) 7.632 3.236 ( 16.590 3.362 -9.940) 19.630 3.526 ( 3.121 12.737 6.584) 14.674 4.103 ( -7.324 10.340 -7.691) 14.823 4.857 ( -1.390 -3.199 -0.415) 3.512 5.362 ( -7.416 14.180 1.978) 16.124 5.876 ( -7.123 0.247 0.559) 7.149 6.594 ( 13.795 -2.832 -1.130) 14.128 7.218 ( -0.915 4.401 -1.646) 4.787 7.286 ( 7.939 2.896 -0.562) 8.469 7.642 ( -10.277 3.083 4.136) 11.499 10.147 ( 1.685 -2.599 0.923) 3.232 10.888 ( 1.361 -2.930 -1.365) 3.507 11.478 ( -3.032 1.111 -3.928) 5.085 11.670 ( 2.529 3.988 -4.698) 6.661 11.982 ( -0.338 2.430 3.455) 4.237 12.145 ( -5.482 -8.099 -1.526) 9.898 18.035 ( 0.887 -2.042 -1.471) 2.669 18.327 ( -1.326 -5.217 -1.204) 5.516 18.437 ( 2.393 -0.096 2.148) 3.217 18.795 ( -3.416 1.844 2.292) 4.508 21.150 ( -0.276 -1.129 -0.243) 1.188 21.281 ( -1.148 -5.625 0.184) 5.744 28.067 ( 0.186 1.457 1.131) 1.854 28.162 ( 0.323 -0.367 -1.482) 1.561 36.430 ( 8.475 0.945 -1.010) 8.587 37.384 ( -11.185 11.683 1.267) 16.224 37.725 ( 13.405 0.860 7.758) 15.512 39.669 ( -1.942 21.314 -5.154) 22.014 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -3.367 3.873 3.616) 6.278 2.839 ( 9.211 -3.179 12.492) 15.843 3.586 ( 20.708 -0.091 -6.740) 21.777 3.723 ( 6.987 5.433 3.797) 9.631 4.102 ( 3.034 13.395 -6.837) 15.342 4.824 ( 2.074 -6.493 0.263) 6.821 5.339 ( -9.181 9.628 3.827) 13.843 5.789 ( -7.132 8.887 -2.934) 11.766 6.728 ( 9.710 -7.843 -1.151) 12.535 7.239 ( -1.418 6.346 -3.650) 7.457 7.415 ( -3.147 1.082 1.559) 3.675 7.526 ( 1.429 -2.530 2.147) 3.613 10.216 ( 7.166 -0.150 1.265) 7.278 10.830 ( -2.341 -4.572 -0.948) 5.224 11.265 ( -17.601 0.330 -1.384) 17.658 11.787 ( 7.790 0.374 -3.876) 8.709 11.957 ( -4.533 -2.030 0.730) 5.021 12.070 ( 2.821 -1.493 -0.989) 3.341 18.015 ( 1.172 -2.508 -1.288) 3.054 18.273 ( -1.267 -0.803 -1.147) 1.888 18.479 ( 1.421 -0.807 1.338) 2.112 18.763 ( -3.837 1.918 3.065) 5.271 21.137 ( -0.246 -0.259 -0.367) 0.512 21.215 ( -1.220 -3.816 -0.101) 4.007 28.091 ( 1.146 0.310 0.999) 1.552 28.163 ( -0.067 1.091 -1.086) 1.541 36.625 ( 14.375 0.303 -1.767) 14.486 37.333 ( -8.935 11.739 -0.165) 14.753 37.932 ( 7.932 -3.883 7.339) 11.483 39.784 ( -2.655 14.484 -1.677) 14.821 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 1.334 14.646 -11.498) 18.668 2.823 ( 12.773 12.652 -1.897) 18.078 3.115 ( -2.035 5.501 4.026) 7.114 3.629 ( -9.810 10.168 -6.928) 15.736 3.965 ( -13.950 -2.267 10.556) 17.640 4.869 ( 3.507 -2.114 -1.935) 4.529 5.383 ( -15.983 1.097 -0.632) 16.033 5.896 ( -2.373 -8.988 -2.071) 9.524 6.568 ( 7.494 10.475 2.213) 13.068 7.166 ( -1.376 0.047 5.133) 5.315 7.288 ( 1.248 10.408 -0.611) 10.500 7.705 ( -6.786 -8.723 -4.436) 11.909 10.157 ( 4.728 0.534 -0.431) 4.777 10.833 ( 8.609 1.258 5.819) 10.467 11.423 ( -2.989 -0.464 3.416) 4.563 11.614 ( -6.032 3.132 2.549) 7.259 12.037 ( -2.963 -0.435 -3.854) 4.881 12.120 ( 3.478 -7.981 1.904) 8.912 18.021 ( 2.539 -1.332 0.489) 2.908 18.307 ( 2.405 -3.279 1.282) 4.263 18.474 ( 2.748 1.640 -2.654) 4.158 18.829 ( -3.645 -1.277 -2.199) 4.445 21.143 ( 0.746 -0.790 0.704) 1.295 21.276 ( 4.200 -3.641 0.840) 5.621 28.085 ( -1.694 0.848 -1.319) 2.309 28.142 ( 1.206 0.176 1.172) 1.690 36.423 ( 2.812 6.660 -0.077) 7.230 37.382 ( -16.544 -3.954 1.399) 17.068 37.859 ( 6.628 11.562 -9.599) 16.425 39.630 ( -19.167 9.745 -0.246) 21.503 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -5.518 -2.738 -3.475) 7.072 2.941 ( 3.660 4.881 -10.065) 11.770 3.453 ( -14.662 12.745 -4.039) 19.842 3.555 ( 7.815 18.909 9.477) 22.549 3.794 ( -8.897 12.741 9.280) 18.100 4.825 ( -7.942 1.722 -3.811) 8.976 5.307 ( 9.251 -0.023 -0.389) 9.259 5.721 ( -5.616 -11.509 -1.279) 12.869 6.684 ( -8.374 7.979 2.641) 11.864 7.133 ( -2.784 0.178 1.224) 3.046 7.370 ( -1.703 6.527 -2.595) 7.227 7.611 ( 4.135 0.544 -0.430) 4.192 10.262 ( 6.247 4.021 -2.655) 7.889 10.872 ( -5.368 -4.940 -3.466) 8.077 11.264 ( -2.383 -12.702 5.130) 13.905 11.731 ( 3.037 10.717 5.497) 12.421 11.968 ( -3.090 -0.196 -2.398) 3.917 12.153 ( 6.689 -3.956 2.445) 8.147 18.043 ( 0.719 -1.481 0.963) 1.908 18.308 ( 1.296 -3.383 1.754) 4.025 18.541 ( 5.075 -0.097 -2.235) 5.546 18.734 ( -3.609 -1.828 -2.724) 4.877 21.151 ( 0.938 -1.288 0.609) 1.706 21.305 ( 3.700 -4.951 0.584) 6.209 28.062 ( -1.646 1.445 -0.394) 2.225 28.169 ( 1.353 -0.310 0.108) 1.393 36.611 ( 7.236 12.790 1.989) 14.829 37.039 ( -20.392 -1.789 1.233) 20.507 38.000 ( 1.716 8.016 -7.475) 11.094 39.454 ( -13.368 14.424 -1.097) 19.696 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -13.690 -10.830 -4.115) 17.934 3.090 ( 6.019 11.797 -1.584) 13.338 3.218 ( -19.917 11.457 -6.917) 23.996 3.433 ( -12.844 -8.045 10.107) 18.217 4.245 ( 5.756 25.790 3.124) 26.609 4.776 ( 0.488 13.674 -1.024) 13.721 5.496 ( -5.518 -9.008 0.542) 10.578 5.576 ( 19.169 -1.017 -1.023) 19.224 6.504 ( -16.816 2.600 2.647) 17.220 7.129 ( -0.497 3.150 -1.350) 3.463 7.360 ( -2.967 3.031 -3.275) 5.358 7.752 ( 5.474 5.256 3.107) 8.201 10.417 ( 7.717 4.052 -3.938) 9.564 10.598 ( -12.564 -6.489 -3.755) 14.631 11.206 ( 5.613 -10.568 0.849) 11.996 11.832 ( -2.601 3.183 -0.191) 4.115 11.949 ( 0.207 3.595 3.131) 4.771 12.269 ( 7.016 -1.668 1.506) 7.368 18.024 ( -1.599 -1.655 2.826) 3.644 18.323 ( 2.665 -1.526 0.667) 3.143 18.541 ( -1.474 -6.856 -2.306) 7.382 18.714 ( 3.098 2.704 -1.665) 4.437 21.154 ( 0.713 -1.479 0.326) 1.674 21.308 ( 2.525 -5.687 0.268) 6.228 28.057 ( -0.911 1.872 0.538) 2.150 28.177 ( 0.387 -0.799 -0.921) 1.279 36.710 ( -18.423 1.302 2.093) 18.587 36.914 ( 10.689 13.471 4.709) 17.830 37.963 ( -7.944 2.610 -4.479) 9.486 39.484 ( -2.472 20.218 -3.261) 20.628 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -6.970 -6.136 3.183) 9.817 2.929 ( -13.487 -1.546 -5.050) 14.484 3.250 ( -9.686 2.531 5.109) 11.239 3.345 ( 7.958 10.182 3.255) 13.327 4.349 ( -6.635 9.650 -3.691) 12.279 4.948 ( -2.498 5.977 0.706) 6.517 5.465 ( 3.154 11.388 2.042) 11.992 5.889 ( 17.432 -1.731 -1.635) 17.593 6.285 ( -10.973 0.026 4.460) 11.845 7.144 ( -0.249 3.529 -2.176) 4.153 7.300 ( -3.191 -0.234 -3.917) 5.058 7.871 ( 0.111 4.460 3.623) 5.747 10.272 ( -8.904 -8.061 -1.485) 12.103 10.637 ( 9.641 3.588 -6.390) 12.111 11.253 ( 8.376 -2.301 -2.464) 9.029 11.788 ( -3.111 1.824 -1.895) 4.074 12.009 ( -0.879 3.637 5.688) 6.808 12.302 ( -0.223 -5.230 -0.985) 5.327 18.012 ( -0.496 0.026 3.158) 3.197 18.361 ( 1.853 -1.676 -1.181) 2.764 18.407 ( -2.620 -5.952 -1.484) 6.670 18.799 ( 3.275 1.865 0.765) 3.846 21.150 ( 0.294 -1.178 -0.026) 1.215 21.284 ( 1.066 -5.586 -0.022) 5.687 28.072 ( -0.365 2.067 1.362) 2.502 28.160 ( -0.253 -0.922 -1.755) 1.999 36.481 ( -11.410 1.978 1.655) 11.698 37.253 ( 11.884 9.542 7.712) 17.081 37.797 ( -10.844 2.071 -2.236) 11.264 39.675 ( 1.644 21.301 -3.931) 21.723 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 17.697 3.133 16.552) 24.433 2.710 ( -2.984 -9.142 -4.461) 10.601 3.194 ( -4.420 6.657 0.922) 8.044 3.568 ( 5.636 6.060 5.865) 10.143 4.292 ( -7.620 10.418 -5.667) 14.096 4.864 ( -4.881 -4.389 0.376) 6.575 5.663 ( -2.843 20.416 -0.347) 20.616 5.979 ( -4.813 -1.137 0.792) 5.008 6.282 ( 12.593 -8.170 1.655) 15.102 7.196 ( 4.427 2.754 -0.927) 5.295 7.230 ( -0.935 -1.383 -5.111) 5.377 7.864 ( -7.067 2.978 2.622) 8.105 10.114 ( -1.736 -4.199 -1.059) 4.665 10.745 ( 6.746 -2.992 -7.654) 10.632 11.400 ( 8.332 3.097 -3.358) 9.502 11.757 ( -3.648 4.424 -1.056) 5.830 12.042 ( -1.738 2.389 5.251) 6.025 12.166 ( -6.129 -7.721 -1.177) 9.928 18.013 ( -1.029 -0.868 -0.177) 1.357 18.277 ( -0.112 -5.332 -0.593) 5.366 18.427 ( 1.625 2.055 0.633) 2.696 18.850 ( 0.191 1.000 2.325) 2.538 21.143 ( 0.001 -0.519 -0.311) 0.605 21.240 ( -0.068 -4.768 -0.247) 4.775 28.084 ( -0.579 -0.015 1.292) 1.416 28.151 ( 0.454 1.344 -1.608) 2.144 36.386 ( -2.189 1.111 0.502) 2.506 37.551 ( 10.636 2.117 10.293) 14.952 37.653 ( -8.160 4.571 -2.038) 9.573 39.872 ( -0.320 19.066 -2.848) 19.280 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 11.030 3.986 9.609) 15.161 2.662 ( 16.142 -6.203 10.064) 20.008 3.242 ( 6.098 3.915 -4.137) 8.345 3.697 ( 3.681 -1.618 7.927) 8.888 4.259 ( -6.579 14.312 -9.751) 18.525 4.746 ( -1.657 -7.313 0.450) 7.512 5.697 ( -15.249 12.547 4.409) 20.234 5.922 ( -0.686 7.989 -2.774) 8.485 6.402 ( 13.543 -14.733 -0.986) 20.037 7.202 ( 2.755 -1.302 -6.080) 6.801 7.335 ( 8.551 1.195 0.660) 8.660 7.725 ( -12.961 1.996 1.388) 13.187 10.116 ( 4.742 -0.053 -0.688) 4.792 10.742 ( 2.904 -5.975 -7.182) 9.784 11.449 ( -4.235 -2.622 -3.328) 5.990 11.749 ( -1.519 6.456 0.282) 6.638 11.996 ( -4.415 -4.435 -0.631) 6.290 12.067 ( -1.170 1.749 3.243) 3.865 17.965 ( -0.088 -3.492 -1.175) 3.685 18.271 ( 0.873 0.423 -0.255) 1.003 18.472 ( 0.771 1.999 0.814) 2.292 18.851 ( -2.538 0.878 3.121) 4.117 21.137 ( -0.120 -0.046 -0.428) 0.447 21.192 ( -0.513 -3.416 -0.386) 3.476 28.074 ( 0.347 -1.631 0.502) 1.741 28.178 ( 0.314 2.990 -0.665) 3.079 36.436 ( 7.200 0.232 -0.229) 7.208 37.559 ( -7.518 4.191 2.251) 8.897 37.770 ( 9.898 -2.921 5.768) 11.823 39.993 ( -4.086 15.409 -1.076) 15.978 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.000 -0.000 24.309) 24.309 1.690 ( 0.000 -0.000 24.309) 24.309 2.847 ( 0.000 -0.000 39.238) 39.238 3.125 ( -0.000 0.000 -12.800) 12.800 3.125 ( -0.000 0.000 -12.800) 12.800 5.317 ( -0.000 0.000 -2.697) 2.697 5.317 ( -0.000 0.000 -2.697) 2.697 5.453 ( -0.000 0.000 -16.356) 16.356 6.469 ( 0.000 -0.000 3.764) 3.764 6.469 ( 0.000 -0.000 3.764) 3.764 6.692 ( -0.000 0.000 -3.606) 3.606 7.254 ( 0.000 -0.000 0.101) 0.101 10.521 ( -0.000 0.000 -3.771) 3.771 10.521 ( -0.000 0.000 -3.771) 3.771 11.165 ( 0.000 -0.000 2.065) 2.065 11.165 ( 0.000 -0.000 2.065) 2.065 12.483 ( 0.000 -0.000 0.307) 0.307 12.557 ( -0.000 0.000 -1.387) 1.387 18.354 ( -0.000 0.000 -0.979) 0.979 18.354 ( -0.000 0.000 -0.979) 0.979 18.808 ( 0.000 -0.000 1.334) 1.334 18.808 ( 0.000 -0.000 1.334) 1.334 21.470 ( 0.000 -0.000 3.341) 3.341 22.149 ( -0.000 0.000 -2.806) 2.806 28.234 ( 0.000 -0.000 0.231) 0.231 28.262 ( -0.000 0.000 -0.312) 0.312 36.307 ( -0.000 0.000 -2.578) 2.578 36.307 ( -0.000 0.000 -2.578) 2.578 36.927 ( 0.000 -0.000 2.957) 2.957 36.927 ( 0.000 -0.000 2.957) 2.957 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.871 -8.177 22.809) 24.400 2.121 ( 9.358 6.752 20.555) 23.573 2.791 ( -8.675 -4.978 -6.829) 12.110 3.197 ( 7.582 13.234 21.236) 26.146 3.344 ( 13.853 5.888 -11.273) 18.806 5.064 ( -14.549 -1.267 -0.457) 14.611 5.239 ( -1.386 -4.042 -2.313) 4.859 5.580 ( 12.831 -0.358 -11.671) 17.349 6.422 ( -3.617 -3.847 1.958) 5.632 6.655 ( 3.734 4.617 -0.861) 6.000 6.731 ( 10.885 7.348 0.345) 13.138 7.316 ( 5.029 4.363 0.120) 6.659 10.457 ( 4.548 -6.713 -2.623) 8.522 10.602 ( 1.298 4.940 -7.211) 8.837 11.113 ( -0.282 2.301 6.167) 6.588 11.381 ( 11.035 7.533 0.543) 13.372 12.370 ( -11.200 -6.157 -0.963) 12.817 12.512 ( -2.876 -1.450 -0.200) 3.227 18.331 ( -0.240 -3.770 -0.932) 3.891 18.349 ( -1.602 3.519 -0.741) 3.937 18.777 ( -2.467 -0.784 1.478) 2.980 18.815 ( -0.353 -1.757 0.157) 1.799 21.439 ( -4.008 -2.296 2.502) 5.253 21.985 ( -11.681 -6.722 1.303) 13.540 28.198 ( -3.962 -2.217 0.258) 4.548 28.234 ( -0.844 -0.673 -0.185) 1.095 36.327 ( -0.277 2.909 -3.288) 4.399 36.470 ( 15.587 9.593 -4.201) 18.779 36.972 ( 6.969 -1.260 3.304) 7.815 37.352 ( 30.238 19.222 -5.153) 36.199 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 12.328 -6.580 13.939) 19.738 2.359 ( 4.618 -0.567 22.300) 22.781 2.695 ( 5.933 3.229 -9.920) 12.002 3.416 ( -2.951 10.918 -6.037) 12.820 3.614 ( 10.623 9.580 5.058) 15.173 4.985 ( -3.554 11.681 5.788) 13.512 5.118 ( 0.301 -13.202 -6.475) 14.707 5.789 ( 16.529 2.409 -4.386) 17.270 6.293 ( -6.369 -4.304 -1.679) 7.868 6.768 ( 7.704 1.681 2.592) 8.300 7.011 ( 8.720 8.502 -0.363) 12.184 7.493 ( 8.001 8.626 -1.967) 11.929 10.448 ( -1.100 -1.340 -4.496) 4.819 10.620 ( 7.830 -7.189 -3.487) 11.187 11.252 ( 4.391 9.958 5.402) 12.150 11.636 ( 7.118 7.110 4.173) 10.892 12.024 ( -15.616 -9.990 -2.703) 18.734 12.441 ( -4.222 -1.335 1.342) 4.627 18.244 ( -4.155 -3.226 -1.975) 5.619 18.387 ( 1.019 3.615 -0.079) 3.757 18.709 ( -4.928 -2.270 0.432) 5.443 18.781 ( -0.003 -3.019 -0.156) 3.023 21.335 ( -5.576 -3.113 1.484) 6.556 21.727 ( -11.583 -6.721 3.719) 13.898 28.106 ( -3.542 -2.047 -0.290) 4.101 28.212 ( -1.015 -0.762 0.053) 1.270 36.327 ( -0.244 2.090 -3.091) 3.740 36.867 ( 15.369 18.253 -3.919) 24.181 37.145 ( 14.615 -4.408 1.216) 15.313 38.090 ( 35.007 21.711 -9.908) 42.368 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 11.138 -7.735 1.704) 13.667 2.532 ( 7.078 -2.939 19.599) 21.044 2.963 ( 19.537 10.512 -6.044) 22.995 3.331 ( -10.505 7.257 -9.864) 16.135 3.879 ( 5.219 11.021 7.060) 14.091 4.950 ( -1.421 -6.546 -4.234) 7.924 5.151 ( 4.484 9.470 -0.387) 10.486 6.105 ( 15.605 3.636 0.798) 16.043 6.139 ( -3.733 -5.496 -2.175) 6.990 6.946 ( 9.535 0.809 2.448) 9.877 7.166 ( 2.539 4.497 0.995) 5.259 7.686 ( 5.694 9.106 -5.208) 11.936 10.349 ( -7.781 1.945 -3.017) 8.569 10.696 ( 12.216 -12.941 0.913) 17.819 11.436 ( 0.292 8.339 2.371) 8.675 11.580 ( -10.641 -5.127 9.419) 15.107 11.922 ( 6.614 3.736 -5.779) 9.545 12.366 ( -4.909 -0.222 3.018) 5.767 18.130 ( -4.230 -2.695 -2.076) 5.428 18.422 ( -0.482 1.939 -0.465) 2.051 18.577 ( -6.732 -3.980 -0.188) 7.823 18.776 ( 2.136 -1.083 -0.299) 2.413 21.230 ( -4.125 -2.226 0.953) 4.783 21.513 ( -8.802 -5.155 2.420) 10.483 28.053 ( -0.761 -0.441 -0.702) 1.125 28.185 ( -1.355 -0.856 0.369) 1.645 36.337 ( 0.367 2.416 -2.240) 3.315 37.243 ( 6.529 22.353 -1.272) 23.321 37.356 ( 19.250 -10.855 -4.395) 22.532 38.802 ( 30.131 18.772 -4.673) 35.806 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 9.515 -11.861 -8.542) 17.441 2.722 ( 4.814 0.451 12.262) 13.180 3.173 ( -8.031 5.642 -6.275) 11.649 3.363 ( 18.396 5.000 -5.472) 19.833 4.083 ( 2.543 11.661 7.467) 14.079 4.901 ( 0.009 -0.364 -0.995) 1.060 5.336 ( 8.380 10.798 -2.128) 13.833 6.028 ( -4.477 1.129 -2.505) 5.253 6.328 ( 10.364 -8.363 0.397) 13.323 7.105 ( 7.610 -0.881 1.806) 7.870 7.217 ( -0.809 2.377 3.126) 4.010 7.801 ( 1.352 8.756 -5.587) 10.474 10.218 ( -7.799 0.810 -0.410) 7.851 10.751 ( 6.018 -11.315 5.475) 13.936 11.363 ( -0.006 -6.128 4.136) 7.393 11.647 ( 2.111 8.209 3.043) 9.006 12.011 ( 2.778 3.062 -5.217) 6.656 12.290 ( -7.136 0.989 3.144) 7.860 18.045 ( -2.178 -1.413 -1.343) 2.923 18.402 ( -5.451 -0.055 1.912) 5.777 18.429 ( -2.033 -4.201 -2.342) 5.222 18.818 ( 2.684 0.932 -1.125) 3.055 21.166 ( -2.010 -1.062 0.539) 2.337 21.353 ( -6.240 -3.606 0.893) 7.262 28.062 ( 1.593 0.984 -1.083) 2.163 28.155 ( -1.473 -0.849 1.103) 2.027 36.361 ( 0.527 2.610 -1.278) 2.953 37.498 ( 4.201 8.541 3.569) 10.165 37.513 ( 12.374 -2.086 -11.680) 17.143 39.408 ( 23.416 14.390 1.373) 27.519 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -6.695 -0.155 21.764) 22.771 2.269 ( 3.278 17.545 10.436) 20.676 2.831 ( -5.765 -3.775 -6.131) 9.224 3.160 ( 6.758 5.997 1.212) 9.116 3.328 ( 1.784 10.372 10.478) 14.851 4.964 ( 3.116 -16.986 1.161) 17.309 5.319 ( 0.619 -1.281 -7.433) 7.568 5.541 ( -6.890 16.700 -8.350) 19.902 6.446 ( -1.021 -6.404 0.328) 6.494 6.657 ( 4.242 13.169 1.851) 13.959 6.687 ( -1.741 3.037 0.496) 3.535 7.302 ( 0.959 4.169 0.711) 4.336 10.411 ( -6.543 -3.455 -0.067) 7.399 10.575 ( 3.851 3.670 -6.443) 8.356 11.247 ( -0.187 10.285 5.956) 11.887 11.300 ( 1.876 7.156 -1.677) 7.586 12.383 ( 0.344 -10.041 -1.375) 10.140 12.528 ( 0.018 -0.904 -1.235) 1.530 18.286 ( -0.173 -4.769 0.278) 4.780 18.376 ( 0.718 1.581 -1.195) 2.108 18.778 ( 0.268 -2.915 1.374) 3.233 18.824 ( -0.879 -0.772 -0.055) 1.171 21.450 ( 0.013 -4.853 2.156) 5.310 21.990 ( 0.012 -12.181 0.723) 12.202 28.198 ( 0.056 -4.756 0.260) 4.763 28.234 ( -0.138 -0.771 -0.222) 0.814 36.255 ( 2.148 -1.034 -0.324) 2.406 36.427 ( -0.334 10.789 -1.914) 10.962 37.043 ( -2.847 7.113 0.684) 7.692 37.352 ( 1.136 39.817 -5.137) 40.163 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -0.128 10.747 19.281) 22.074 2.497 ( 2.902 10.581 6.752) 12.883 2.616 ( -8.067 -4.270 -0.784) 9.161 3.371 ( 14.871 5.866 -11.684) 19.801 3.591 ( 2.972 10.690 6.856) 13.043 4.915 ( 2.114 -6.931 2.571) 7.688 5.206 ( -1.499 -3.082 -2.802) 4.427 5.640 ( 2.051 15.524 -3.588) 16.065 6.335 ( -4.219 -5.832 -0.562) 7.220 6.737 ( 2.017 5.237 3.043) 6.384 6.927 ( 10.327 10.908 -1.300) 15.077 7.423 ( 6.797 6.008 -0.694) 9.098 10.332 ( 1.965 -5.713 2.481) 6.531 10.610 ( -2.205 4.733 -4.204) 6.703 11.319 ( 2.211 9.079 3.026) 9.822 11.553 ( 10.071 10.428 -0.125) 14.498 12.164 ( -11.682 -12.571 -2.989) 17.419 12.481 ( -2.646 -2.006 -0.395) 3.344 18.239 ( -0.811 -4.668 -0.485) 4.763 18.395 ( 0.887 2.148 -1.107) 2.575 18.745 ( -0.491 -4.534 0.852) 4.640 18.771 ( -3.659 -1.983 0.487) 4.190 21.375 ( -3.220 -5.585 1.216) 6.561 21.812 ( -6.725 -11.675 2.361) 13.679 28.126 ( -2.411 -4.400 -0.015) 5.017 28.220 ( -0.625 -0.694 -0.016) 0.934 36.372 ( 5.456 4.421 -3.358) 7.784 36.559 ( 8.482 6.455 -1.014) 10.707 37.165 ( 5.258 12.499 3.503) 14.006 37.880 ( 17.340 38.662 -9.206) 43.361 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -6.345 17.260 9.947) 20.907 2.556 ( 2.289 -2.141 14.240) 14.581 2.725 ( 13.468 9.282 -2.929) 16.616 3.540 ( -6.905 10.950 -8.960) 15.743 3.753 ( 18.142 1.454 -2.071) 18.318 4.793 ( -2.376 -8.807 -6.968) 11.479 5.321 ( 1.825 11.941 7.589) 14.266 5.810 ( 9.571 -1.913 -0.226) 9.763 6.233 ( -3.996 3.518 -1.759) 5.607 6.871 ( 5.045 5.619 3.792) 8.450 7.148 ( 6.074 6.789 -1.199) 9.188 7.607 ( 8.720 5.771 -4.025) 11.205 10.380 ( 8.371 -6.446 3.681) 11.188 10.551 ( -8.136 4.702 -1.119) 9.463 11.511 ( 5.349 10.681 2.422) 12.188 11.756 ( -11.181 -9.216 6.071) 15.710 11.807 ( 3.446 2.593 -8.546) 9.573 12.416 ( -1.961 -3.168 1.136) 3.896 18.155 ( -3.374 -3.248 -2.124) 5.142 18.425 ( 0.456 1.057 -2.212) 2.494 18.671 ( -5.786 -2.043 1.512) 6.320 18.708 ( 1.624 -4.970 1.356) 5.401 21.270 ( -3.628 -4.140 0.560) 5.533 21.597 ( -7.538 -8.849 1.893) 11.778 28.058 ( -1.399 -1.984 -0.347) 2.452 28.201 ( -0.966 -0.614 0.254) 1.172 36.428 ( -4.136 11.200 -3.166) 12.352 36.821 ( 21.307 -5.557 -5.103) 22.603 37.437 ( 4.633 18.504 4.956) 19.708 38.532 ( 24.309 28.698 -5.323) 37.985 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -10.948 7.935 1.741) 13.633 2.752 ( 5.431 10.152 12.643) 17.100 3.072 ( 18.413 4.997 -3.038) 19.320 3.388 ( -13.264 7.153 -8.079) 17.099 4.102 ( 13.703 7.952 1.915) 15.958 4.750 ( 10.403 -3.064 -4.551) 11.761 5.411 ( -5.781 9.612 1.174) 11.277 5.891 ( 10.391 -15.465 1.189) 18.670 6.263 ( -1.820 10.949 -2.883) 11.467 7.030 ( 5.186 4.312 3.497) 7.597 7.260 ( 1.376 4.218 1.057) 4.561 7.767 ( 6.859 4.627 -5.389) 9.874 10.423 ( -11.874 6.174 0.401) 13.389 10.510 ( 11.481 -8.787 5.210) 15.368 11.402 ( -10.749 -9.557 1.300) 14.442 11.700 ( 2.779 7.317 3.394) 8.531 11.946 ( 5.464 3.135 -4.835) 7.941 12.368 ( -1.448 -3.179 2.114) 4.084 18.061 ( -3.020 -1.396 -3.018) 4.492 18.394 ( -0.938 -2.337 -2.366) 3.455 18.545 ( -8.301 -1.470 2.931) 8.925 18.743 ( 5.075 -2.319 0.649) 5.618 21.190 ( -2.327 -2.212 0.182) 3.216 21.416 ( -6.089 -5.990 0.673) 8.568 28.043 ( 0.766 0.315 -0.647) 1.051 28.179 ( -1.271 -0.497 0.792) 1.577 36.451 ( -4.285 11.438 -2.401) 12.448 37.072 ( 19.505 -7.606 -7.425) 22.213 37.678 ( 0.255 16.883 3.470) 17.238 39.163 ( 23.940 18.050 1.294) 30.010 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -6.706 9.436 17.012) 20.577 2.340 ( -1.413 9.501 -11.305) 14.835 2.916 ( 9.537 17.624 15.139) 25.115 3.164 ( -7.236 -5.841 -11.391) 14.705 3.476 ( -7.113 1.415 10.006) 12.358 4.809 ( -0.972 -11.891 5.255) 13.036 5.320 ( 1.010 8.774 -5.444) 10.375 5.734 ( -4.784 12.763 -9.200) 16.445 6.329 ( 3.392 -7.514 -0.774) 8.280 6.775 ( -3.487 8.083 0.742) 8.834 6.871 ( -9.308 9.154 2.780) 13.348 7.384 ( -4.693 4.401 1.721) 6.660 10.473 ( 5.698 0.147 -6.647) 8.756 10.569 ( -11.760 1.719 -2.239) 12.094 11.294 ( 4.093 12.248 4.564) 13.697 11.509 ( -10.807 5.418 3.286) 12.527 12.159 ( 10.746 -12.799 -2.641) 16.919 12.477 ( 3.551 -1.922 -0.043) 4.039 18.239 ( 0.203 -5.987 -0.331) 5.999 18.369 ( 0.713 1.407 0.536) 1.666 18.738 ( 2.094 -2.626 0.480) 3.393 18.806 ( 0.942 -1.740 -1.093) 2.261 21.374 ( 3.279 -5.676 1.283) 6.680 21.812 ( 6.695 -11.601 2.351) 13.599 28.126 ( 2.391 -4.398 -0.002) 5.006 28.223 ( 0.589 -0.569 -0.199) 0.843 36.322 ( -4.959 2.644 -0.089) 5.621 36.542 ( -6.395 5.324 0.182) 8.323 37.246 ( -8.536 15.263 -1.501) 17.552 37.862 ( -16.548 38.600 -8.429) 42.835 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -0.049 5.202 7.283) 8.950 2.478 ( 2.605 14.043 -7.311) 16.045 2.904 ( -11.854 -0.561 6.390) 13.479 3.155 ( 2.281 2.380 -7.371) 8.075 3.664 ( 7.664 14.136 6.853) 17.480 4.822 ( 8.742 -4.299 10.553) 14.362 5.187 ( -11.517 -2.612 -8.500) 14.550 5.842 ( -0.431 19.928 -6.148) 20.859 6.271 ( 1.780 -9.663 -0.342) 9.831 6.811 ( -0.648 7.851 1.121) 7.957 6.942 ( 0.692 12.609 3.041) 12.989 7.419 ( 0.482 6.120 2.917) 6.797 10.362 ( -8.142 -2.844 1.522) 8.757 10.607 ( 7.315 5.604 -3.235) 9.767 11.395 ( -3.971 5.625 -2.094) 7.197 11.566 ( 4.134 12.669 6.203) 14.699 12.092 ( 0.647 -15.230 -5.924) 16.354 12.489 ( -0.473 -1.718 -2.137) 2.782 18.187 ( 0.687 -5.931 1.457) 6.146 18.394 ( 0.537 1.048 -0.307) 1.217 18.718 ( -1.113 -4.433 -0.096) 4.572 18.786 ( -0.137 -2.031 -0.368) 2.069 21.346 ( 0.040 -6.531 0.769) 6.576 21.753 ( -0.033 -13.009 1.780) 13.131 28.101 ( 0.017 -4.571 0.086) 4.572 28.218 ( -0.115 -0.813 -0.323) 0.882 36.261 ( 1.066 1.040 1.170) 1.894 36.720 ( 1.813 17.842 3.888) 18.350 37.201 ( -3.024 9.143 -1.256) 9.712 38.119 ( 0.289 44.169 -10.385) 45.375 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 19.040 8.361 6.025) 21.650 2.516 ( -11.727 17.067 -6.352) 21.660 2.825 ( -5.174 2.725 17.739) 18.678 3.277 ( 20.544 -1.033 -14.432) 25.127 3.782 ( -7.134 9.399 -4.358) 12.579 4.861 ( -12.658 -0.031 -3.294) 13.080 5.174 ( 19.455 -1.952 7.772) 21.040 5.897 ( -9.320 7.169 0.257) 11.761 6.283 ( 3.953 5.888 -2.312) 7.460 6.914 ( 1.291 8.831 3.274) 9.506 7.107 ( 5.329 7.943 -0.408) 9.574 7.522 ( 4.131 4.375 0.726) 6.060 10.272 ( -0.042 -4.280 3.926) 5.808 10.732 ( -2.179 8.508 1.251) 8.871 11.460 ( 7.512 5.579 -1.945) 9.557 11.759 ( 3.393 5.231 5.026) 8.008 11.848 ( -8.304 -10.713 -9.636) 16.630 12.412 ( -2.982 -4.290 -1.590) 5.461 18.149 ( -0.480 -4.204 -0.026) 4.231 18.413 ( 0.806 0.783 -1.015) 1.514 18.635 ( -0.687 -6.815 0.286) 6.855 18.750 ( -3.132 -0.989 1.382) 3.563 21.272 ( -1.812 -5.240 0.209) 5.548 21.604 ( -3.851 -11.075 1.039) 11.771 28.055 ( -0.871 -2.419 0.065) 2.572 28.204 ( -0.290 -0.906 -0.201) 0.973 36.394 ( 12.085 1.174 -1.562) 12.242 36.790 ( -11.506 15.678 0.714) 19.460 37.446 ( 14.428 11.405 5.628) 19.233 38.549 ( 8.374 37.554 -8.230) 39.346 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -13.915 6.257 0.005) 15.257 2.753 ( 15.486 13.622 9.347) 22.644 2.955 ( 2.781 13.224 8.654) 16.047 3.647 ( -10.803 5.238 -8.208) 14.544 3.687 ( 31.815 3.951 -11.136) 33.938 4.688 ( -5.385 2.403 -1.269) 6.032 5.471 ( 13.664 -5.898 4.557) 15.564 5.729 ( -11.533 -2.481 1.266) 11.864 6.422 ( -0.738 15.541 -2.402) 15.743 7.038 ( 2.110 6.537 3.166) 7.563 7.256 ( 4.722 5.105 0.289) 6.960 7.642 ( 7.197 1.253 -2.370) 7.680 10.308 ( 6.767 -5.139 4.591) 9.658 10.707 ( -10.846 8.513 3.117) 14.136 11.494 ( -12.030 -12.167 -4.265) 17.633 11.685 ( 9.672 6.404 -1.555) 11.703 11.883 ( 2.492 4.445 -0.301) 5.105 12.322 ( -0.139 -6.839 -0.768) 6.884 18.086 ( -2.594 -1.789 -1.881) 3.670 18.385 ( -2.153 -2.237 -2.747) 4.146 18.619 ( 3.763 -5.647 2.330) 7.175 18.678 ( -4.731 0.511 2.586) 5.416 21.199 ( -1.775 -3.096 -0.190) 3.574 21.441 ( -4.506 -7.913 0.177) 9.108 28.037 ( 0.078 0.147 -0.051) 0.174 28.190 ( -0.404 -0.850 0.187) 0.959 36.623 ( 10.795 5.900 -4.221) 13.006 36.757 ( -3.941 8.254 -1.147) 9.218 37.792 ( 7.541 11.447 6.635) 15.229 39.030 ( 14.792 25.089 -1.604) 29.169 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 3.794 16.803 7.984) 18.986 2.564 ( -20.168 9.908 -8.854) 24.152 2.971 ( 10.142 18.341 9.674) 23.083 3.134 ( -2.177 -5.484 -7.254) 9.351 3.682 ( -12.442 -4.233 8.779) 15.805 4.805 ( -7.469 -10.110 3.523) 13.054 5.297 ( 11.296 14.330 -7.544) 19.745 5.923 ( -11.028 -1.965 -3.220) 11.656 6.257 ( -0.557 4.917 0.889) 5.027 6.942 ( -6.119 8.103 -0.577) 10.170 7.095 ( -5.932 6.455 1.409) 8.879 7.528 ( -6.185 3.292 -0.159) 7.008 10.340 ( 5.197 -1.822 -5.066) 7.483 10.772 ( -9.847 3.806 -4.260) 11.384 11.401 ( 0.268 11.002 5.512) 12.309 11.685 ( 0.936 -7.907 10.886) 13.488 11.864 ( 3.431 -1.118 -7.154) 8.013 12.387 ( 3.860 -4.117 1.805) 5.925 18.157 ( 2.614 -4.257 -1.109) 5.117 18.389 ( -1.128 -0.371 2.015) 2.339 18.648 ( 5.640 -2.121 -1.347) 6.174 18.770 ( -0.262 -2.241 -1.292) 2.600 21.268 ( 3.641 -4.258 0.768) 5.655 21.599 ( 7.558 -8.747 1.740) 11.691 28.058 ( 1.389 -2.020 -0.318) 2.472 28.203 ( 1.078 -0.516 -0.016) 1.195 36.382 ( 3.279 8.422 -0.051) 9.038 36.792 ( -20.896 -4.293 0.480) 21.338 37.530 ( -4.221 20.692 -5.231) 21.757 38.509 ( -24.383 27.847 -3.413) 37.170 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -16.480 -1.452 -3.318) 16.873 2.593 ( 4.745 20.039 -0.351) 20.596 2.893 ( -3.870 -2.071 -16.630) 17.199 3.381 ( -12.624 3.501 12.056) 17.803 3.675 ( 13.181 17.582 8.420) 23.532 4.698 ( 2.968 -5.614 5.661) 8.508 5.417 ( -12.708 5.106 -5.588) 14.792 5.849 ( 10.569 6.268 -4.875) 13.220 6.215 ( -5.255 -2.083 0.401) 5.667 6.917 ( -3.319 7.775 -2.128) 8.718 7.115 ( -3.910 10.050 3.085) 11.217 7.539 ( -2.381 8.230 5.033) 9.936 10.450 ( 7.920 4.024 -5.645) 10.525 10.541 ( -10.344 -3.533 0.122) 10.932 11.537 ( -4.722 7.728 -0.883) 9.099 11.658 ( 1.434 0.046 10.332) 10.431 11.867 ( 4.097 -6.928 -7.672) 11.120 12.433 ( 3.710 -2.164 -1.095) 4.433 18.127 ( 0.408 -5.711 1.601) 5.945 18.395 ( 0.376 -0.138 1.808) 1.852 18.692 ( -0.636 -3.156 -1.374) 3.500 18.731 ( 3.221 -2.450 -1.694) 4.387 21.271 ( 1.867 -5.257 0.413) 5.594 21.605 ( 3.815 -11.000 0.876) 11.676 28.055 ( 0.872 -2.445 0.108) 2.598 28.206 ( 0.252 -0.838 -0.494) 1.005 36.385 ( -11.452 2.170 2.446) 11.910 36.749 ( 11.285 12.909 4.308) 17.679 37.498 ( -15.369 12.959 -3.061) 20.335 38.543 ( -7.764 37.694 -6.698) 39.064 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 8.906 -1.109 -3.431) 9.609 2.792 ( 3.716 1.016 -14.325) 14.834 2.882 ( 1.675 22.992 4.985) 23.586 3.188 ( -11.579 -3.055 8.115) 14.466 3.956 ( -3.071 12.265 -2.986) 12.992 4.885 ( 14.800 -0.594 5.229) 15.708 5.139 ( -16.385 4.709 -0.286) 17.051 6.084 ( -7.712 -2.139 1.948) 8.237 6.169 ( 15.354 10.253 -4.093) 18.911 6.977 ( 1.946 8.664 -1.425) 8.994 7.159 ( -2.028 6.498 1.543) 6.980 7.602 ( -3.679 7.805 6.046) 10.537 10.313 ( -7.256 -4.409 1.803) 8.680 10.713 ( 12.719 6.349 -1.443) 14.289 11.464 ( -3.846 1.412 -0.702) 4.157 11.698 ( 1.383 -9.403 -4.773) 10.635 11.860 ( -0.138 6.979 0.535) 7.000 12.412 ( -2.098 -3.542 -3.165) 5.193 18.098 ( 1.119 -4.797 2.060) 5.339 18.408 ( 0.461 -0.037 1.146) 1.236 18.589 ( -2.240 -7.578 -1.634) 8.069 18.772 ( 0.907 0.895 0.232) 1.295 21.237 ( -0.011 -4.721 -0.044) 4.721 21.531 ( -0.038 -10.597 0.092) 10.597 28.045 ( 0.015 -1.197 0.457) 1.281 28.193 ( -0.062 -1.226 -0.717) 1.422 36.308 ( -0.568 2.065 1.616) 2.683 37.141 ( 3.665 17.073 9.222) 19.748 37.362 ( -2.842 9.135 -2.443) 9.874 38.822 ( -0.202 36.852 -6.816) 37.478 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 18.820 1.367 2.551) 19.041 2.848 ( 1.475 1.891 4.781) 5.348 3.126 ( 10.227 4.163 -4.367) 11.874 3.174 ( 4.684 20.106 1.594) 20.706 3.886 ( -10.402 8.167 -8.549) 15.748 4.862 ( -8.624 2.262 -0.704) 8.944 5.226 ( 8.721 0.980 4.559) 9.890 5.923 ( -10.097 -2.906 3.363) 11.032 6.478 ( 9.849 12.183 -3.594) 16.073 7.106 ( 0.909 7.454 1.157) 7.598 7.211 ( 4.707 3.922 -1.153) 6.234 7.617 ( -3.402 3.010 3.909) 5.993 10.224 ( 0.431 -4.361 2.689) 5.142 10.897 ( 0.847 3.505 2.747) 4.534 11.488 ( 2.133 -4.397 -4.554) 6.680 11.560 ( 0.139 1.839 -8.210) 8.414 11.932 ( -0.470 4.968 3.221) 5.939 12.283 ( -4.370 -6.725 -2.504) 8.402 18.078 ( 0.075 -3.135 0.046) 3.136 18.394 ( -2.544 -1.795 -2.136) 3.776 18.513 ( 2.912 -6.056 2.678) 7.233 18.768 ( -3.058 1.434 1.582) 3.730 21.188 ( -0.816 -3.112 -0.448) 3.248 21.416 ( -2.110 -8.322 -0.427) 8.596 28.043 ( -0.136 0.756 0.604) 0.978 28.178 ( 0.228 -1.393 -0.580) 1.526 36.405 ( 9.234 1.116 -0.536) 9.316 37.111 ( -15.326 15.918 -0.032) 22.097 37.699 ( 16.908 6.798 8.517) 20.115 39.148 ( 2.969 29.743 -3.330) 30.076 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 0.000 -0.000 18.045) 18.045 2.013 ( 0.000 -0.000 18.045) 18.045 2.931 ( -0.000 0.000 -12.298) 12.298 2.931 ( -0.000 0.000 -12.298) 12.298 3.349 ( 0.000 -0.000 26.457) 26.457 5.207 ( -0.000 0.000 -15.012) 15.012 5.287 ( -0.000 0.000 -1.319) 1.319 5.287 ( -0.000 0.000 -1.319) 1.319 6.512 ( 0.000 -0.000 2.029) 2.029 6.512 ( 0.000 -0.000 2.029) 2.029 6.652 ( -0.000 0.000 -1.695) 1.695 7.255 ( 0.000 -0.000 0.052) 0.052 10.477 ( -0.000 0.000 -2.049) 2.049 10.477 ( -0.000 0.000 -2.049) 2.049 11.188 ( 0.000 -0.000 1.051) 1.051 11.188 ( 0.000 -0.000 1.051) 1.051 12.488 ( 0.000 -0.000 0.408) 0.408 12.539 ( -0.000 0.000 -1.033) 1.033 18.343 ( -0.000 0.000 -0.526) 0.526 18.343 ( -0.000 0.000 -0.526) 0.526 18.823 ( 0.000 -0.000 0.730) 0.730 18.823 ( 0.000 -0.000 0.730) 0.730 21.513 ( 0.000 -0.000 2.164) 2.164 22.113 ( -0.000 0.000 -1.855) 1.855 28.237 ( 0.000 -0.000 0.171) 0.171 28.257 ( -0.000 0.000 -0.218) 0.218 36.278 ( -0.000 0.000 -1.342) 1.342 36.278 ( -0.000 0.000 -1.342) 1.342 36.961 ( 0.000 -0.000 1.561) 1.561 36.961 ( 0.000 -0.000 1.561) 1.561 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 0.147 -8.532 19.971) 21.718 2.267 ( 2.588 10.807 -3.736) 11.724 2.762 ( -0.055 -7.448 7.978) 10.915 3.125 ( 10.407 10.396 -14.972) 20.988 3.500 ( 3.453 4.130 13.259) 14.311 5.034 ( -6.079 -0.844 -3.360) 6.997 5.212 ( -5.331 -2.599 -0.965) 6.009 5.450 ( 13.758 2.792 -4.594) 14.771 6.438 ( -5.844 -3.982 0.500) 7.090 6.658 ( 5.947 4.633 0.757) 7.576 6.730 ( 10.109 5.927 -0.671) 11.738 7.315 ( 4.907 3.508 -0.216) 6.036 10.438 ( 1.082 -3.835 -0.314) 3.997 10.515 ( 1.402 3.267 -4.116) 5.439 11.197 ( 2.067 2.738 5.041) 6.097 11.370 ( 12.033 6.840 -1.958) 13.979 12.362 ( -11.521 -6.555 -0.122) 13.256 12.511 ( -1.935 -1.015 0.071) 2.186 18.312 ( -2.507 -2.279 -1.313) 3.633 18.348 ( 0.652 1.498 0.463) 1.698 18.797 ( -2.902 -0.482 0.935) 3.087 18.814 ( -0.686 -1.922 -0.155) 2.047 21.467 ( -4.513 -2.597 1.191) 5.341 21.994 ( -9.071 -5.232 0.151) 10.473 28.201 ( -4.191 -2.382 0.125) 4.823 28.232 ( -0.639 -0.452 -0.082) 0.787 36.285 ( -0.090 1.235 -2.286) 2.600 36.423 ( 13.898 7.897 -2.040) 16.115 37.015 ( 5.594 1.350 2.382) 6.228 37.309 ( 26.465 16.058 -1.229) 30.980 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 3.625 -7.121 9.471) 12.391 2.462 ( 11.990 14.899 -5.073) 19.786 2.767 ( 1.942 -10.762 17.370) 20.526 3.251 ( -2.440 12.684 -13.139) 18.424 3.694 ( 10.588 5.017 2.715) 12.027 4.978 ( 4.041 -9.269 -9.287) 13.729 5.083 ( -8.956 8.184 5.167) 13.187 5.775 ( 18.710 6.309 2.301) 19.878 6.273 ( -7.469 -5.140 -0.733) 9.097 6.803 ( 7.594 2.772 1.760) 8.274 6.988 ( 10.022 7.652 -2.577) 12.870 7.460 ( 6.776 5.733 -2.508) 9.223 10.395 ( -4.532 2.423 -2.810) 5.857 10.586 ( 9.294 -4.578 -0.575) 10.376 11.335 ( 4.234 7.113 5.285) 9.821 11.645 ( 12.624 6.688 -3.071) 14.613 12.022 ( -17.334 -10.547 2.701) 20.469 12.462 ( -2.967 -0.937 1.554) 3.478 18.214 ( -4.571 -3.168 -1.991) 5.907 18.389 ( 1.471 1.641 0.298) 2.224 18.715 ( -5.519 -1.886 0.320) 5.841 18.781 ( -0.603 -2.022 0.177) 2.118 21.349 ( -5.729 -3.277 0.395) 6.612 21.760 ( -11.114 -6.420 0.851) 12.864 28.102 ( -3.854 -2.236 -0.164) 4.458 28.214 ( -0.922 -0.558 0.196) 1.095 36.287 ( 0.583 1.089 -2.304) 2.614 36.791 ( 18.212 11.606 -5.478) 22.280 37.173 ( 8.701 2.751 2.185) 9.383 38.032 ( 35.122 20.764 1.346) 40.823 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -4.894 -3.705 15.870) 17.016 2.243 ( 5.714 5.308 -10.537) 13.109 2.885 ( -7.721 6.688 8.753) 13.452 2.989 ( 5.300 8.568 -11.957) 15.636 3.545 ( 1.657 2.469 7.902) 8.443 4.986 ( 1.653 -7.851 2.283) 8.341 5.230 ( -1.015 -4.580 -3.836) 6.059 5.447 ( -1.591 15.801 -3.633) 16.292 6.444 ( 0.024 -7.484 -0.366) 7.493 6.667 ( 0.740 9.898 -0.181) 9.927 6.710 ( -0.361 8.452 1.847) 8.659 7.310 ( 0.230 5.192 0.454) 5.217 10.425 ( -3.709 -2.697 1.551) 4.841 10.503 ( 3.220 3.317 -2.747) 5.377 11.261 ( -0.504 5.282 -3.509) 6.361 11.324 ( 0.768 12.748 4.217) 13.449 12.366 ( 0.134 -12.260 -0.764) 12.284 12.515 ( -0.050 -1.498 -0.551) 1.597 18.295 ( -0.069 -4.063 0.922) 4.167 18.359 ( 0.205 1.583 -0.992) 1.880 18.796 ( 0.180 -3.004 0.923) 3.148 18.819 ( -0.331 -1.289 -0.590) 1.456 21.471 ( 0.004 -5.311 0.615) 5.346 21.994 ( 0.001 -10.043 0.044) 10.043 28.201 ( 0.021 -4.903 0.094) 4.904 28.232 ( -0.042 -0.662 -0.097) 0.670 36.260 ( 0.588 -0.232 1.062) 1.236 36.410 ( -0.155 13.306 -0.263) 13.309 37.040 ( -0.683 6.228 -0.978) 6.342 37.309 ( 0.276 32.437 -1.189) 32.460 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -3.731 8.787 16.529) 19.088 2.281 ( 9.852 4.003 -17.235) 20.252 2.895 ( -6.714 1.109 20.462) 21.564 3.164 ( 15.941 6.379 -15.400) 23.064 3.610 ( -1.078 4.920 -4.698) 6.888 4.889 ( -7.118 -5.119 -4.887) 10.038 5.234 ( 7.462 0.855 5.313) 9.200 5.636 ( 5.007 14.091 3.317) 15.318 6.326 ( -4.606 -6.615 -0.329) 8.068 6.771 ( 3.138 6.688 1.300) 7.501 6.905 ( 7.664 11.660 -1.833) 14.073 7.407 ( 4.192 6.271 -1.372) 7.667 10.387 ( 2.098 -4.762 4.835) 7.103 10.565 ( -2.303 7.649 -1.589) 8.145 11.337 ( 6.666 5.595 -0.919) 8.751 11.542 ( 5.712 12.914 -1.324) 14.183 12.139 ( -9.414 -15.636 -0.168) 18.252 12.477 ( -1.212 -2.876 -0.147) 3.125 18.236 ( -2.852 -4.248 0.045) 5.117 18.379 ( 1.142 1.564 -0.913) 2.141 18.746 ( -1.347 -4.256 -0.438) 4.486 18.787 ( -2.029 -1.808 1.389) 3.052 21.384 ( -3.350 -5.807 -0.037) 6.704 21.829 ( -6.359 -11.025 0.015) 12.727 28.126 ( -2.577 -4.445 -0.007) 5.138 28.221 ( -0.420 -0.758 0.097) 0.871 36.334 ( 2.856 4.787 -1.705) 5.829 36.547 ( 4.666 8.338 -0.534) 9.570 37.213 ( 7.734 13.550 2.835) 15.858 37.808 ( 19.683 33.859 -0.723) 39.171 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 3.34e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.000 -0.000 0.000) 0.000 2.167 ( 0.000 -0.000 0.000) 0.000 2.820 ( 0.000 -0.000 0.000) 0.000 2.820 ( 0.000 -0.000 0.000) 0.000 3.563 ( -0.000 0.000 -0.000) 0.000 5.078 ( 0.000 -0.000 0.000) 0.000 5.278 ( 0.000 -0.000 0.000) 0.000 5.278 ( 0.000 -0.000 0.000) 0.000 6.527 ( 0.000 -0.000 0.000) 0.000 6.527 ( 0.000 -0.000 0.000) 0.000 6.640 ( 0.000 -0.000 0.000) 0.000 7.255 ( 0.000 -0.000 0.000) 0.000 10.462 ( 0.000 -0.000 0.000) 0.000 10.462 ( 0.000 -0.000 0.000) 0.000 11.196 ( 0.000 -0.000 0.000) 0.000 11.196 ( 0.000 -0.000 0.000) 0.000 12.492 ( 0.000 -0.000 0.000) 0.000 12.530 ( 0.000 -0.000 0.000) 0.000 18.339 ( 0.000 -0.000 0.000) 0.000 18.339 ( 0.000 -0.000 0.000) 0.000 18.829 ( 0.000 -0.000 0.000) 0.000 18.829 ( 0.000 -0.000 0.000) 0.000 21.529 ( 0.000 -0.000 0.000) 0.000 22.099 ( 0.000 -0.000 0.000) 0.000 28.239 ( 0.000 -0.000 0.000) 0.000 28.256 ( 0.000 -0.000 0.000) 0.000 36.268 ( 0.000 -0.000 0.000) 0.000 36.268 ( 0.000 -0.000 0.000) 0.000 36.973 ( 0.000 -0.000 0.000) 0.000 36.973 ( 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 10.0 684.061 684.061 975.131 -0.000 0.000 0.000 3/51840 20.0 323.243 323.243 317.735 0.000 -0.000 0.000 3/51840 30.0 149.779 149.779 132.111 0.000 -0.000 0.000 3/51840 40.0 89.852 89.852 75.584 0.000 -0.000 0.000 3/51840 50.0 61.811 61.811 50.463 0.000 -0.000 0.000 3/51840 60.0 46.448 46.448 37.007 0.000 -0.000 0.000 3/51840 70.0 37.041 37.041 28.909 0.000 -0.000 0.000 3/51840 80.0 30.773 30.773 23.607 0.000 -0.000 0.000 3/51840 90.0 26.322 26.322 19.907 0.000 -0.000 0.000 3/51840 100.0 23.004 23.004 17.196 0.000 -0.000 0.000 3/51840 110.0 20.437 20.437 15.132 0.000 -0.000 0.000 3/51840 120.0 18.393 18.393 13.512 0.000 -0.000 0.000 3/51840 130.0 16.727 16.727 12.207 0.000 -0.000 0.000 3/51840 140.0 15.343 15.343 11.136 0.000 -0.000 0.000 3/51840 150.0 14.174 14.174 10.240 0.000 -0.000 0.000 3/51840 160.0 13.174 13.174 9.481 0.000 -0.000 0.000 3/51840 170.0 12.309 12.309 8.828 0.000 -0.000 0.000 3/51840 180.0 11.553 11.553 8.262 0.000 -0.000 0.000 3/51840 190.0 10.887 10.887 7.766 0.000 -0.000 0.000 3/51840 200.0 10.295 10.295 7.328 0.000 -0.000 0.000 3/51840 210.0 9.765 9.765 6.938 0.000 -0.000 0.000 3/51840 220.0 9.289 9.289 6.589 0.000 -0.000 0.000 3/51840 230.0 8.859 8.859 6.275 0.000 -0.000 0.000 3/51840 240.0 8.468 8.468 5.990 0.000 -0.000 0.000 3/51840 250.0 8.111 8.111 5.731 0.000 -0.000 0.000 3/51840 260.0 7.783 7.783 5.494 0.000 -0.000 0.000 3/51840 270.0 7.483 7.483 5.277 0.000 -0.000 0.000 3/51840 280.0 7.205 7.205 5.077 0.000 -0.000 0.000 3/51840 290.0 6.948 6.948 4.893 0.000 -0.000 0.000 3/51840 300.0 6.709 6.709 4.722 0.000 -0.000 0.000 3/51840 310.0 6.487 6.487 4.563 0.000 -0.000 0.000 3/51840 320.0 6.280 6.280 4.415 0.000 -0.000 0.000 3/51840 330.0 6.086 6.086 4.277 0.000 -0.000 0.000 3/51840 340.0 5.904 5.904 4.147 0.000 -0.000 0.000 3/51840 350.0 5.734 5.734 4.026 0.000 -0.000 0.000 3/51840 360.0 5.573 5.573 3.912 0.000 -0.000 0.000 3/51840 370.0 5.422 5.422 3.805 0.000 -0.000 0.000 3/51840 380.0 5.279 5.279 3.703 0.000 -0.000 0.000 3/51840 390.0 5.143 5.143 3.608 0.000 -0.000 0.000 3/51840 400.0 5.015 5.015 3.517 0.000 -0.000 0.000 3/51840 410.0 4.893 4.893 3.431 0.000 -0.000 0.000 3/51840 420.0 4.778 4.778 3.349 0.000 -0.000 0.000 3/51840 430.0 4.667 4.667 3.272 0.000 -0.000 0.000 3/51840 440.0 4.563 4.563 3.198 0.000 -0.000 0.000 3/51840 450.0 4.463 4.463 3.128 0.000 -0.000 0.000 3/51840 460.0 4.367 4.367 3.060 0.000 -0.000 0.000 3/51840 470.0 4.276 4.276 2.996 0.000 -0.000 0.000 3/51840 480.0 4.188 4.188 2.935 0.000 -0.000 0.000 3/51840 490.0 4.104 4.104 2.876 0.000 -0.000 0.000 3/51840 500.0 4.024 4.024 2.819 0.000 -0.000 0.000 3/51840 510.0 3.947 3.947 2.765 0.000 -0.000 0.000 3/51840 520.0 3.873 3.873 2.713 0.000 -0.000 0.000 3/51840 530.0 3.802 3.802 2.663 0.000 -0.000 0.000 3/51840 540.0 3.733 3.733 2.615 0.000 -0.000 0.000 3/51840 550.0 3.667 3.667 2.569 0.000 -0.000 0.000 3/51840 560.0 3.604 3.604 2.524 0.000 -0.000 0.000 3/51840 570.0 3.542 3.542 2.481 0.000 -0.000 0.000 3/51840 580.0 3.483 3.483 2.439 0.000 -0.000 0.000 3/51840 590.0 3.426 3.426 2.399 0.000 -0.000 0.000 3/51840 600.0 3.371 3.371 2.361 0.000 -0.000 0.000 3/51840 610.0 3.317 3.317 2.323 0.000 -0.000 0.000 3/51840 620.0 3.265 3.265 2.287 0.000 -0.000 0.000 3/51840 630.0 3.215 3.215 2.252 0.000 -0.000 0.000 3/51840 640.0 3.167 3.167 2.218 0.000 -0.000 0.000 3/51840 650.0 3.120 3.120 2.185 0.000 -0.000 0.000 3/51840 660.0 3.074 3.074 2.153 0.000 -0.000 0.000 3/51840 670.0 3.030 3.030 2.122 0.000 -0.000 0.000 3/51840 680.0 2.987 2.987 2.092 0.000 -0.000 0.000 3/51840 690.0 2.946 2.946 2.062 0.000 -0.000 0.000 3/51840 700.0 2.905 2.905 2.034 0.000 -0.000 0.000 3/51840 710.0 2.866 2.866 2.006 0.000 -0.000 0.000 3/51840 720.0 2.827 2.827 1.979 0.000 -0.000 0.000 3/51840 730.0 2.790 2.790 1.953 0.000 -0.000 0.000 3/51840 740.0 2.754 2.754 1.928 0.000 -0.000 0.000 3/51840 750.0 2.719 2.719 1.903 0.000 -0.000 0.000 3/51840 760.0 2.684 2.684 1.879 0.000 -0.000 0.000 3/51840 770.0 2.651 2.651 1.855 0.000 -0.000 0.000 3/51840 780.0 2.618 2.618 1.832 0.000 -0.000 0.000 3/51840 790.0 2.586 2.586 1.810 0.000 -0.000 0.000 3/51840 800.0 2.555 2.555 1.788 0.000 -0.000 0.000 3/51840 810.0 2.525 2.525 1.767 0.000 -0.000 0.000 3/51840 820.0 2.496 2.496 1.746 0.000 -0.000 0.000 3/51840 830.0 2.467 2.467 1.726 0.000 -0.000 0.000 3/51840 840.0 2.439 2.439 1.706 0.000 -0.000 0.000 3/51840 850.0 2.411 2.411 1.687 0.000 -0.000 0.000 3/51840 860.0 2.384 2.384 1.668 0.000 -0.000 0.000 3/51840 870.0 2.358 2.358 1.649 0.000 -0.000 0.000 3/51840 880.0 2.332 2.332 1.631 0.000 -0.000 0.000 3/51840 890.0 2.307 2.307 1.614 0.000 -0.000 0.000 3/51840 900.0 2.282 2.282 1.596 0.000 -0.000 0.000 3/51840 910.0 2.258 2.258 1.580 0.000 -0.000 0.000 3/51840 920.0 2.235 2.235 1.563 0.000 -0.000 0.000 3/51840 930.0 2.212 2.212 1.547 0.000 -0.000 0.000 3/51840 940.0 2.189 2.189 1.531 0.000 -0.000 0.000 3/51840 950.0 2.167 2.167 1.515 0.000 -0.000 0.000 3/51840 960.0 2.146 2.146 1.500 0.000 -0.000 0.000 3/51840 970.0 2.124 2.124 1.485 0.000 -0.000 0.000 3/51840 980.0 2.104 2.104 1.471 0.000 -0.000 0.000 3/51840 990.0 2.083 2.083 1.456 0.000 -0.000 0.000 3/51840 1000.0 2.063 2.063 1.442 0.000 -0.000 0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:45:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|