----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:39:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.765636930000000 -5.147374134999999 0.000000000000000 b 1.765636930000000 5.147374134999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.767111840000000 Atomic positions (fractional): *1 Na 0.56950260182638 0.43049739817362 0.87586596675802 22.990 2 Na 0.43049739817362 0.56950260182638 0.37586596675802 22.990 *3 Na 0.17053290425894 0.82946709574106 0.58847311323164 22.990 4 Na 0.82946709574106 0.17053290425894 0.08847311323164 22.990 *5 S 0.45022991275040 0.54977008724960 0.63398020673830 32.065 6 S 0.54977008724960 0.45022991275040 0.13398020673830 32.065 *7 S 0.28214686691058 0.71785313308942 0.87043193532609 32.065 8 S 0.71785313308942 0.28214686691058 0.37043193532609 32.065 *9 Pd 0.86533815039430 0.13466184960570 0.75124876794594 106.420 10 Pd 0.13466184960570 0.86533815039430 0.25124876794594 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.531273860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.294748269999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.767111840000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.43049739817362 0.87586596675802 22.990 > 1 2 Na 0.50000000000000 0.06950260182638 0.37586596675802 22.990 > 2 *3 Na 0.50000000000000 0.32946709574106 0.58847311323164 22.990 > 3 4 Na 0.00000000000000 0.17053290425894 0.08847311323164 22.990 > 4 5 Na 0.50000000000000 0.93049739817362 0.87586596675802 22.990 > 1 6 Na 0.00000000000000 0.56950260182638 0.37586596675802 22.990 > 2 7 Na 0.00000000000000 0.82946709574106 0.58847311323164 22.990 > 3 8 Na 0.50000000000000 0.67053290425894 0.08847311323164 22.990 > 4 *9 S 0.50000000000000 0.04977008724960 0.63398020673830 32.065 > 5 10 S 0.00000000000000 0.45022991275040 0.13398020673830 32.065 > 6 *11 S 0.50000000000000 0.21785313308942 0.87043193532609 32.065 > 7 12 S 0.00000000000000 0.28214686691058 0.37043193532609 32.065 > 8 13 S 0.00000000000000 0.54977008724960 0.63398020673830 32.065 > 5 14 S 0.50000000000000 0.95022991275040 0.13398020673830 32.065 > 6 15 S 0.00000000000000 0.71785313308942 0.87043193532609 32.065 > 7 16 S 0.50000000000000 0.78214686691058 0.37043193532609 32.065 > 8 *17 Pd 0.00000000000000 0.13466184960570 0.75124876794594 106.420 > 9 18 Pd 0.50000000000000 0.36533815039430 0.25124876794594 106.420 > 10 19 Pd 0.50000000000000 0.63466184960570 0.75124876794594 106.420 > 9 20 Pd 0.00000000000000 0.86533815039430 0.25124876794594 106.420 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.593821580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 20.589496539999995 0.000000000000000 c 0.000000000000000 0.000000000000000 10.767111840000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.21524869908681 0.87586596675802 22.990 > 1 2 Na 0.33333333333333 0.21524869908681 0.87586596675802 22.990 > 1 3 Na 0.66666666666667 0.21524869908681 0.87586596675802 22.990 > 1 4 Na 0.00000000000000 0.71524869908681 0.87586596675802 22.990 > 1 5 Na 0.33333333333333 0.71524869908681 0.87586596675802 22.990 > 1 6 Na 0.66666666666667 0.71524869908681 0.87586596675802 22.990 > 1 7 Na 0.16666666666667 0.03475130091319 0.37586596675802 22.990 > 2 8 Na 0.50000000000000 0.03475130091319 0.37586596675802 22.990 > 2 9 Na 0.83333333333333 0.03475130091319 0.37586596675802 22.990 > 2 10 Na 0.16666666666667 0.53475130091319 0.37586596675802 22.990 > 2 11 Na 0.50000000000000 0.53475130091319 0.37586596675802 22.990 > 2 12 Na 0.83333333333333 0.53475130091319 0.37586596675802 22.990 > 2 *13 Na 0.16666666666667 0.16473354787053 0.58847311323164 22.990 > 3 14 Na 0.50000000000000 0.16473354787053 0.58847311323164 22.990 > 3 15 Na 0.83333333333333 0.16473354787053 0.58847311323164 22.990 > 3 16 Na 0.16666666666667 0.66473354787053 0.58847311323164 22.990 > 3 17 Na 0.50000000000000 0.66473354787053 0.58847311323164 22.990 > 3 18 Na 0.83333333333333 0.66473354787053 0.58847311323164 22.990 > 3 19 Na 0.00000000000000 0.08526645212947 0.08847311323164 22.990 > 4 20 Na 0.33333333333333 0.08526645212947 0.08847311323164 22.990 > 4 21 Na 0.66666666666667 0.08526645212947 0.08847311323164 22.990 > 4 22 Na 0.00000000000000 0.58526645212947 0.08847311323164 22.990 > 4 23 Na 0.33333333333333 0.58526645212947 0.08847311323164 22.990 > 4 24 Na 0.66666666666667 0.58526645212947 0.08847311323164 22.990 > 4 25 Na 0.16666666666667 0.46524869908681 0.87586596675802 22.990 > 1 26 Na 0.50000000000000 0.46524869908681 0.87586596675802 22.990 > 1 27 Na 0.83333333333333 0.46524869908681 0.87586596675802 22.990 > 1 28 Na 0.16666666666667 0.96524869908681 0.87586596675802 22.990 > 1 29 Na 0.50000000000000 0.96524869908681 0.87586596675802 22.990 > 1 30 Na 0.83333333333333 0.96524869908681 0.87586596675802 22.990 > 1 31 Na 0.00000000000000 0.28475130091319 0.37586596675802 22.990 > 2 32 Na 0.33333333333333 0.28475130091319 0.37586596675802 22.990 > 2 33 Na 0.66666666666667 0.28475130091319 0.37586596675802 22.990 > 2 34 Na 0.00000000000000 0.78475130091319 0.37586596675802 22.990 > 2 35 Na 0.33333333333333 0.78475130091319 0.37586596675802 22.990 > 2 36 Na 0.66666666666667 0.78475130091319 0.37586596675802 22.990 > 2 37 Na 0.00000000000000 0.41473354787053 0.58847311323164 22.990 > 3 38 Na 0.33333333333333 0.41473354787053 0.58847311323164 22.990 > 3 39 Na 0.66666666666667 0.41473354787053 0.58847311323164 22.990 > 3 40 Na 0.00000000000000 0.91473354787053 0.58847311323164 22.990 > 3 41 Na 0.33333333333333 0.91473354787053 0.58847311323164 22.990 > 3 42 Na 0.66666666666667 0.91473354787053 0.58847311323164 22.990 > 3 43 Na 0.16666666666667 0.33526645212947 0.08847311323164 22.990 > 4 44 Na 0.50000000000000 0.33526645212947 0.08847311323164 22.990 > 4 45 Na 0.83333333333333 0.33526645212947 0.08847311323164 22.990 > 4 46 Na 0.16666666666667 0.83526645212947 0.08847311323164 22.990 > 4 47 Na 0.50000000000000 0.83526645212947 0.08847311323164 22.990 > 4 48 Na 0.83333333333333 0.83526645212947 0.08847311323164 22.990 > 4 *49 S 0.16666666666667 0.02488504362480 0.63398020673830 32.065 > 5 50 S 0.50000000000000 0.02488504362480 0.63398020673830 32.065 > 5 51 S 0.83333333333333 0.02488504362480 0.63398020673830 32.065 > 5 52 S 0.16666666666667 0.52488504362480 0.63398020673830 32.065 > 5 53 S 0.50000000000000 0.52488504362480 0.63398020673830 32.065 > 5 54 S 0.83333333333333 0.52488504362480 0.63398020673830 32.065 > 5 55 S 0.00000000000000 0.22511495637520 0.13398020673830 32.065 > 6 56 S 0.33333333333333 0.22511495637520 0.13398020673830 32.065 > 6 57 S 0.66666666666667 0.22511495637520 0.13398020673830 32.065 > 6 58 S 0.00000000000000 0.72511495637520 0.13398020673830 32.065 > 6 59 S 0.33333333333333 0.72511495637520 0.13398020673830 32.065 > 6 60 S 0.66666666666667 0.72511495637520 0.13398020673830 32.065 > 6 *61 S 0.16666666666667 0.10892656654471 0.87043193532609 32.065 > 7 62 S 0.50000000000000 0.10892656654471 0.87043193532609 32.065 > 7 63 S 0.83333333333333 0.10892656654471 0.87043193532609 32.065 > 7 64 S 0.16666666666667 0.60892656654471 0.87043193532609 32.065 > 7 65 S 0.50000000000000 0.60892656654471 0.87043193532609 32.065 > 7 66 S 0.83333333333333 0.60892656654471 0.87043193532609 32.065 > 7 67 S 0.00000000000000 0.14107343345529 0.37043193532609 32.065 > 8 68 S 0.33333333333333 0.14107343345529 0.37043193532609 32.065 > 8 69 S 0.66666666666667 0.14107343345529 0.37043193532609 32.065 > 8 70 S 0.00000000000000 0.64107343345529 0.37043193532609 32.065 > 8 71 S 0.33333333333333 0.64107343345529 0.37043193532609 32.065 > 8 72 S 0.66666666666667 0.64107343345529 0.37043193532609 32.065 > 8 73 S 0.00000000000000 0.27488504362480 0.63398020673830 32.065 > 5 74 S 0.33333333333333 0.27488504362480 0.63398020673830 32.065 > 5 75 S 0.66666666666667 0.27488504362480 0.63398020673830 32.065 > 5 76 S 0.00000000000000 0.77488504362480 0.63398020673830 32.065 > 5 77 S 0.33333333333333 0.77488504362480 0.63398020673830 32.065 > 5 78 S 0.66666666666667 0.77488504362480 0.63398020673830 32.065 > 5 79 S 0.16666666666667 0.47511495637520 0.13398020673830 32.065 > 6 80 S 0.50000000000000 0.47511495637520 0.13398020673830 32.065 > 6 81 S 0.83333333333333 0.47511495637520 0.13398020673830 32.065 > 6 82 S 0.16666666666667 0.97511495637520 0.13398020673830 32.065 > 6 83 S 0.50000000000000 0.97511495637520 0.13398020673830 32.065 > 6 84 S 0.83333333333333 0.97511495637520 0.13398020673830 32.065 > 6 85 S 0.00000000000000 0.35892656654471 0.87043193532609 32.065 > 7 86 S 0.33333333333333 0.35892656654471 0.87043193532609 32.065 > 7 87 S 0.66666666666667 0.35892656654471 0.87043193532609 32.065 > 7 88 S 0.00000000000000 0.85892656654471 0.87043193532609 32.065 > 7 89 S 0.33333333333333 0.85892656654471 0.87043193532609 32.065 > 7 90 S 0.66666666666667 0.85892656654471 0.87043193532609 32.065 > 7 91 S 0.16666666666667 0.39107343345529 0.37043193532609 32.065 > 8 92 S 0.50000000000000 0.39107343345529 0.37043193532609 32.065 > 8 93 S 0.83333333333333 0.39107343345529 0.37043193532609 32.065 > 8 94 S 0.16666666666667 0.89107343345529 0.37043193532609 32.065 > 8 95 S 0.50000000000000 0.89107343345529 0.37043193532609 32.065 > 8 96 S 0.83333333333333 0.89107343345529 0.37043193532609 32.065 > 8 *97 Pd 0.00000000000000 0.06733092480285 0.75124876794594 106.420 > 9 98 Pd 0.33333333333333 0.06733092480285 0.75124876794594 106.420 > 9 99 Pd 0.66666666666667 0.06733092480285 0.75124876794594 106.420 > 9 100 Pd 0.00000000000000 0.56733092480285 0.75124876794594 106.420 > 9 101 Pd 0.33333333333333 0.56733092480285 0.75124876794594 106.420 > 9 102 Pd 0.66666666666667 0.56733092480285 0.75124876794594 106.420 > 9 103 Pd 0.16666666666667 0.18266907519715 0.25124876794594 106.420 > 10 104 Pd 0.50000000000000 0.18266907519715 0.25124876794594 106.420 > 10 105 Pd 0.83333333333333 0.18266907519715 0.25124876794594 106.420 > 10 106 Pd 0.16666666666667 0.68266907519715 0.25124876794594 106.420 > 10 107 Pd 0.50000000000000 0.68266907519715 0.25124876794594 106.420 > 10 108 Pd 0.83333333333333 0.68266907519715 0.25124876794594 106.420 > 10 109 Pd 0.16666666666667 0.31733092480285 0.75124876794594 106.420 > 9 110 Pd 0.50000000000000 0.31733092480285 0.75124876794594 106.420 > 9 111 Pd 0.83333333333333 0.31733092480285 0.75124876794594 106.420 > 9 112 Pd 0.16666666666667 0.81733092480285 0.75124876794594 106.420 > 9 113 Pd 0.50000000000000 0.81733092480285 0.75124876794594 106.420 > 9 114 Pd 0.83333333333333 0.81733092480285 0.75124876794594 106.420 > 9 115 Pd 0.00000000000000 0.43266907519715 0.25124876794594 106.420 > 10 116 Pd 0.33333333333333 0.43266907519715 0.25124876794594 106.420 > 10 117 Pd 0.66666666666667 0.43266907519715 0.25124876794594 106.420 > 10 118 Pd 0.00000000000000 0.93266907519715 0.25124876794594 106.420 > 10 119 Pd 0.33333333333333 0.93266907519715 0.25124876794594 106.420 > 10 120 Pd 0.66666666666667 0.93266907519715 0.25124876794594 106.420 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3345500 0.0000000 0.0000000 0.0000000 4.8028774 0.0000000 0.0000000 0.0000000 5.7937708 -------------------------- Born effective charges -------------------------- 1 Na 0.9831213 0.0000000 0.0000000 0.0000000 1.3676684 -0.2833129 0.0000000 0.0252817 1.0803542 2 Na 0.9831213 0.0000000 0.0000000 0.0000000 1.3676684 0.2833129 0.0000000 -0.0252817 1.0803542 3 Na 1.2008773 0.0000000 0.0000000 0.0000000 1.2984768 -0.1753063 0.0000000 0.1003386 1.3483353 4 Na 1.2008773 0.0000000 0.0000000 0.0000000 1.2984768 0.1753063 0.0000000 -0.1003386 1.3483353 5 S -2.4134353 0.0000000 0.0000000 0.0000000 -1.0706740 0.0603632 0.0000000 -0.0462454 -1.0822889 6 S -2.4134353 0.0000000 0.0000000 0.0000000 -1.0706740 -0.0603632 0.0000000 0.0462454 -1.0822889 7 S -2.4544648 0.0000000 0.0000000 0.0000000 -1.0581080 0.1122733 0.0000000 -0.0097021 -1.1121362 8 S -2.4544648 0.0000000 0.0000000 0.0000000 -1.0581080 -0.1122733 0.0000000 0.0097021 -1.1121362 9 Pd 2.6839015 0.0000000 0.0000000 0.0000000 -0.5373631 0.4411245 0.0000000 0.4115857 -0.2342644 10 Pd 2.6839015 0.0000000 0.0000000 0.0000000 -0.5373631 -0.4411245 0.0000000 -0.4115857 -0.2342644 ---------------------------------------------------------------------------- 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: 6582/6582 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 0.370 Solver_block: 200 / 320 - Time: 0.341 Solver_block: 300 / 320 - Time: 0.337 Solver_block: 320 / 320 - Time: 0.122 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.195 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 6582/6582 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), 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 23:39:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:39:17]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.765636930000000 -5.147374134999999 0.000000000000000 b 1.765636930000000 5.147374134999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.767111840000000 Atomic positions (fractional): 1 Na 0.56950260182638 0.43049739817362 0.87586596675802 22.990 2 Na 0.43049739817362 0.56950260182638 0.37586596675802 22.990 3 Na 0.17053290425894 0.82946709574106 0.58847311323164 22.990 4 Na 0.82946709574106 0.17053290425894 0.08847311323164 22.990 5 S 0.45022991275040 0.54977008724960 0.63398020673830 32.065 6 S 0.54977008724960 0.45022991275040 0.13398020673830 32.065 7 S 0.28214686691058 0.71785313308942 0.87043193532609 32.065 8 S 0.71785313308942 0.28214686691058 0.37043193532609 32.065 9 Pd 0.86533815039430 0.13466184960570 0.75124876794594 106.420 10 Pd 0.13466184960570 0.86533815039430 0.25124876794594 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.593821580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 20.589496539999995 0.000000000000000 c 0.000000000000000 0.000000000000000 10.767111840000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.21524869908681 0.87586596675802 22.990 > 1 2 Na 0.33333333333333 0.21524869908681 0.87586596675802 22.990 > 1 3 Na 0.66666666666667 0.21524869908681 0.87586596675802 22.990 > 1 4 Na 0.00000000000000 0.71524869908681 0.87586596675802 22.990 > 1 5 Na 0.33333333333333 0.71524869908681 0.87586596675802 22.990 > 1 6 Na 0.66666666666667 0.71524869908681 0.87586596675802 22.990 > 1 7 Na 0.16666666666667 0.03475130091319 0.37586596675802 22.990 > 7 8 Na 0.50000000000000 0.03475130091319 0.37586596675802 22.990 > 7 9 Na 0.83333333333333 0.03475130091319 0.37586596675802 22.990 > 7 10 Na 0.16666666666667 0.53475130091319 0.37586596675802 22.990 > 7 11 Na 0.50000000000000 0.53475130091319 0.37586596675802 22.990 > 7 12 Na 0.83333333333333 0.53475130091319 0.37586596675802 22.990 > 7 13 Na 0.16666666666667 0.16473354787053 0.58847311323164 22.990 > 13 14 Na 0.50000000000000 0.16473354787053 0.58847311323164 22.990 > 13 15 Na 0.83333333333333 0.16473354787053 0.58847311323164 22.990 > 13 16 Na 0.16666666666667 0.66473354787053 0.58847311323164 22.990 > 13 17 Na 0.50000000000000 0.66473354787053 0.58847311323164 22.990 > 13 18 Na 0.83333333333333 0.66473354787053 0.58847311323164 22.990 > 13 19 Na 0.00000000000000 0.08526645212947 0.08847311323164 22.990 > 19 20 Na 0.33333333333333 0.08526645212947 0.08847311323164 22.990 > 19 21 Na 0.66666666666667 0.08526645212947 0.08847311323164 22.990 > 19 22 Na 0.00000000000000 0.58526645212947 0.08847311323164 22.990 > 19 23 Na 0.33333333333333 0.58526645212947 0.08847311323164 22.990 > 19 24 Na 0.66666666666667 0.58526645212947 0.08847311323164 22.990 > 19 25 Na 0.16666666666667 0.46524869908681 0.87586596675802 22.990 > 1 26 Na 0.50000000000000 0.46524869908681 0.87586596675802 22.990 > 1 27 Na 0.83333333333333 0.46524869908681 0.87586596675802 22.990 > 1 28 Na 0.16666666666667 0.96524869908681 0.87586596675802 22.990 > 1 29 Na 0.50000000000000 0.96524869908681 0.87586596675802 22.990 > 1 30 Na 0.83333333333333 0.96524869908681 0.87586596675802 22.990 > 1 31 Na 0.00000000000000 0.28475130091319 0.37586596675802 22.990 > 7 32 Na 0.33333333333333 0.28475130091319 0.37586596675802 22.990 > 7 33 Na 0.66666666666667 0.28475130091319 0.37586596675802 22.990 > 7 34 Na 0.00000000000000 0.78475130091319 0.37586596675802 22.990 > 7 35 Na 0.33333333333333 0.78475130091319 0.37586596675802 22.990 > 7 36 Na 0.66666666666667 0.78475130091319 0.37586596675802 22.990 > 7 37 Na 0.00000000000000 0.41473354787053 0.58847311323164 22.990 > 13 38 Na 0.33333333333333 0.41473354787053 0.58847311323164 22.990 > 13 39 Na 0.66666666666667 0.41473354787053 0.58847311323164 22.990 > 13 40 Na 0.00000000000000 0.91473354787053 0.58847311323164 22.990 > 13 41 Na 0.33333333333333 0.91473354787053 0.58847311323164 22.990 > 13 42 Na 0.66666666666667 0.91473354787053 0.58847311323164 22.990 > 13 43 Na 0.16666666666667 0.33526645212947 0.08847311323164 22.990 > 19 44 Na 0.50000000000000 0.33526645212947 0.08847311323164 22.990 > 19 45 Na 0.83333333333333 0.33526645212947 0.08847311323164 22.990 > 19 46 Na 0.16666666666667 0.83526645212947 0.08847311323164 22.990 > 19 47 Na 0.50000000000000 0.83526645212947 0.08847311323164 22.990 > 19 48 Na 0.83333333333333 0.83526645212947 0.08847311323164 22.990 > 19 49 S 0.16666666666667 0.02488504362480 0.63398020673830 32.065 > 49 50 S 0.50000000000000 0.02488504362480 0.63398020673830 32.065 > 49 51 S 0.83333333333333 0.02488504362480 0.63398020673830 32.065 > 49 52 S 0.16666666666667 0.52488504362480 0.63398020673830 32.065 > 49 53 S 0.50000000000000 0.52488504362480 0.63398020673830 32.065 > 49 54 S 0.83333333333333 0.52488504362480 0.63398020673830 32.065 > 49 55 S 0.00000000000000 0.22511495637520 0.13398020673830 32.065 > 55 56 S 0.33333333333333 0.22511495637520 0.13398020673830 32.065 > 55 57 S 0.66666666666667 0.22511495637520 0.13398020673830 32.065 > 55 58 S 0.00000000000000 0.72511495637520 0.13398020673830 32.065 > 55 59 S 0.33333333333333 0.72511495637520 0.13398020673830 32.065 > 55 60 S 0.66666666666667 0.72511495637520 0.13398020673830 32.065 > 55 61 S 0.16666666666667 0.10892656654471 0.87043193532609 32.065 > 61 62 S 0.50000000000000 0.10892656654471 0.87043193532609 32.065 > 61 63 S 0.83333333333333 0.10892656654471 0.87043193532609 32.065 > 61 64 S 0.16666666666667 0.60892656654471 0.87043193532609 32.065 > 61 65 S 0.50000000000000 0.60892656654471 0.87043193532609 32.065 > 61 66 S 0.83333333333333 0.60892656654471 0.87043193532609 32.065 > 61 67 S 0.00000000000000 0.14107343345529 0.37043193532609 32.065 > 67 68 S 0.33333333333333 0.14107343345529 0.37043193532609 32.065 > 67 69 S 0.66666666666667 0.14107343345529 0.37043193532609 32.065 > 67 70 S 0.00000000000000 0.64107343345529 0.37043193532609 32.065 > 67 71 S 0.33333333333333 0.64107343345529 0.37043193532609 32.065 > 67 72 S 0.66666666666667 0.64107343345529 0.37043193532609 32.065 > 67 73 S 0.00000000000000 0.27488504362480 0.63398020673830 32.065 > 49 74 S 0.33333333333333 0.27488504362480 0.63398020673830 32.065 > 49 75 S 0.66666666666667 0.27488504362480 0.63398020673830 32.065 > 49 76 S 0.00000000000000 0.77488504362480 0.63398020673830 32.065 > 49 77 S 0.33333333333333 0.77488504362480 0.63398020673830 32.065 > 49 78 S 0.66666666666667 0.77488504362480 0.63398020673830 32.065 > 49 79 S 0.16666666666667 0.47511495637520 0.13398020673830 32.065 > 55 80 S 0.50000000000000 0.47511495637520 0.13398020673830 32.065 > 55 81 S 0.83333333333333 0.47511495637520 0.13398020673830 32.065 > 55 82 S 0.16666666666667 0.97511495637520 0.13398020673830 32.065 > 55 83 S 0.50000000000000 0.97511495637520 0.13398020673830 32.065 > 55 84 S 0.83333333333333 0.97511495637520 0.13398020673830 32.065 > 55 85 S 0.00000000000000 0.35892656654471 0.87043193532609 32.065 > 61 86 S 0.33333333333333 0.35892656654471 0.87043193532609 32.065 > 61 87 S 0.66666666666667 0.35892656654471 0.87043193532609 32.065 > 61 88 S 0.00000000000000 0.85892656654471 0.87043193532609 32.065 > 61 89 S 0.33333333333333 0.85892656654471 0.87043193532609 32.065 > 61 90 S 0.66666666666667 0.85892656654471 0.87043193532609 32.065 > 61 91 S 0.16666666666667 0.39107343345529 0.37043193532609 32.065 > 67 92 S 0.50000000000000 0.39107343345529 0.37043193532609 32.065 > 67 93 S 0.83333333333333 0.39107343345529 0.37043193532609 32.065 > 67 94 S 0.16666666666667 0.89107343345529 0.37043193532609 32.065 > 67 95 S 0.50000000000000 0.89107343345529 0.37043193532609 32.065 > 67 96 S 0.83333333333333 0.89107343345529 0.37043193532609 32.065 > 67 97 Pd 0.00000000000000 0.06733092480285 0.75124876794594 106.420 > 97 98 Pd 0.33333333333333 0.06733092480285 0.75124876794594 106.420 > 97 99 Pd 0.66666666666667 0.06733092480285 0.75124876794594 106.420 > 97 100 Pd 0.00000000000000 0.56733092480285 0.75124876794594 106.420 > 97 101 Pd 0.33333333333333 0.56733092480285 0.75124876794594 106.420 > 97 102 Pd 0.66666666666667 0.56733092480285 0.75124876794594 106.420 > 97 103 Pd 0.16666666666667 0.18266907519715 0.25124876794594 106.420 > 103 104 Pd 0.50000000000000 0.18266907519715 0.25124876794594 106.420 > 103 105 Pd 0.83333333333333 0.18266907519715 0.25124876794594 106.420 > 103 106 Pd 0.16666666666667 0.68266907519715 0.25124876794594 106.420 > 103 107 Pd 0.50000000000000 0.68266907519715 0.25124876794594 106.420 > 103 108 Pd 0.83333333333333 0.68266907519715 0.25124876794594 106.420 > 103 109 Pd 0.16666666666667 0.31733092480285 0.75124876794594 106.420 > 97 110 Pd 0.50000000000000 0.31733092480285 0.75124876794594 106.420 > 97 111 Pd 0.83333333333333 0.31733092480285 0.75124876794594 106.420 > 97 112 Pd 0.16666666666667 0.81733092480285 0.75124876794594 106.420 > 97 113 Pd 0.50000000000000 0.81733092480285 0.75124876794594 106.420 > 97 114 Pd 0.83333333333333 0.81733092480285 0.75124876794594 106.420 > 97 115 Pd 0.00000000000000 0.43266907519715 0.25124876794594 106.420 > 103 116 Pd 0.33333333333333 0.43266907519715 0.25124876794594 106.420 > 103 117 Pd 0.66666666666667 0.43266907519715 0.25124876794594 106.420 > 103 118 Pd 0.00000000000000 0.93266907519715 0.25124876794594 106.420 > 103 119 Pd 0.33333333333333 0.93266907519715 0.25124876794594 106.420 > 103 120 Pd 0.66666666666667 0.93266907519715 0.25124876794594 106.420 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3345500 0.0000000 0.0000000 0.0000000 4.8028774 0.0000000 0.0000000 0.0000000 5.7937708 -------------------------- Born effective charges -------------------------- 1 Na 0.9831213 0.0000000 0.0000000 0.0000000 1.3676684 -0.2833129 0.0000000 0.0252817 1.0803542 2 Na 0.9831213 0.0000000 0.0000000 0.0000000 1.3676684 0.2833129 0.0000000 -0.0252817 1.0803542 3 Na 1.2008773 0.0000000 0.0000000 0.0000000 1.2984768 -0.1753063 0.0000000 0.1003386 1.3483353 4 Na 1.2008773 0.0000000 0.0000000 0.0000000 1.2984768 0.1753063 0.0000000 -0.1003386 1.3483353 5 S -2.4134353 0.0000000 0.0000000 0.0000000 -1.0706740 0.0603632 0.0000000 -0.0462454 -1.0822889 6 S -2.4134353 0.0000000 0.0000000 0.0000000 -1.0706740 -0.0603632 0.0000000 0.0462454 -1.0822889 7 S -2.4544648 0.0000000 0.0000000 0.0000000 -1.0581080 0.1122733 0.0000000 -0.0097021 -1.1121362 8 S -2.4544648 0.0000000 0.0000000 0.0000000 -1.0581080 -0.1122733 0.0000000 0.0097021 -1.1121362 9 Pd 2.6839015 0.0000000 0.0000000 0.0000000 -0.5373631 0.4411245 0.0000000 0.4115857 -0.2342644 10 Pd 2.6839015 0.0000000 0.0000000 0.0000000 -0.5373631 -0.4411245 0.0000000 -0.4115857 -0.2342644 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 23:39:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:39:31]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.765636930000000 -5.147374134999999 0.000000000000000 b 1.765636930000000 5.147374134999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.767111840000000 Atomic positions (fractional): 1 Na 0.56950260182638 0.43049739817362 0.87586596675802 22.990 2 Na 0.43049739817362 0.56950260182638 0.37586596675802 22.990 3 Na 0.17053290425894 0.82946709574106 0.58847311323164 22.990 4 Na 0.82946709574106 0.17053290425894 0.08847311323164 22.990 5 S 0.45022991275040 0.54977008724960 0.63398020673830 32.065 6 S 0.54977008724960 0.45022991275040 0.13398020673830 32.065 7 S 0.28214686691058 0.71785313308942 0.87043193532609 32.065 8 S 0.71785313308942 0.28214686691058 0.37043193532609 32.065 9 Pd 0.86533815039430 0.13466184960570 0.75124876794594 106.420 10 Pd 0.13466184960570 0.86533815039430 0.25124876794594 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.593821580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 20.589496539999995 0.000000000000000 c 0.000000000000000 0.000000000000000 10.767111840000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.21524869908681 0.87586596675802 22.990 > 1 2 Na 0.33333333333333 0.21524869908681 0.87586596675802 22.990 > 1 3 Na 0.66666666666667 0.21524869908681 0.87586596675802 22.990 > 1 4 Na 0.00000000000000 0.71524869908681 0.87586596675802 22.990 > 1 5 Na 0.33333333333333 0.71524869908681 0.87586596675802 22.990 > 1 6 Na 0.66666666666667 0.71524869908681 0.87586596675802 22.990 > 1 7 Na 0.16666666666667 0.03475130091319 0.37586596675802 22.990 > 7 8 Na 0.50000000000000 0.03475130091319 0.37586596675802 22.990 > 7 9 Na 0.83333333333333 0.03475130091319 0.37586596675802 22.990 > 7 10 Na 0.16666666666667 0.53475130091319 0.37586596675802 22.990 > 7 11 Na 0.50000000000000 0.53475130091319 0.37586596675802 22.990 > 7 12 Na 0.83333333333333 0.53475130091319 0.37586596675802 22.990 > 7 13 Na 0.16666666666667 0.16473354787053 0.58847311323164 22.990 > 13 14 Na 0.50000000000000 0.16473354787053 0.58847311323164 22.990 > 13 15 Na 0.83333333333333 0.16473354787053 0.58847311323164 22.990 > 13 16 Na 0.16666666666667 0.66473354787053 0.58847311323164 22.990 > 13 17 Na 0.50000000000000 0.66473354787053 0.58847311323164 22.990 > 13 18 Na 0.83333333333333 0.66473354787053 0.58847311323164 22.990 > 13 19 Na 0.00000000000000 0.08526645212947 0.08847311323164 22.990 > 19 20 Na 0.33333333333333 0.08526645212947 0.08847311323164 22.990 > 19 21 Na 0.66666666666667 0.08526645212947 0.08847311323164 22.990 > 19 22 Na 0.00000000000000 0.58526645212947 0.08847311323164 22.990 > 19 23 Na 0.33333333333333 0.58526645212947 0.08847311323164 22.990 > 19 24 Na 0.66666666666667 0.58526645212947 0.08847311323164 22.990 > 19 25 Na 0.16666666666667 0.46524869908681 0.87586596675802 22.990 > 1 26 Na 0.50000000000000 0.46524869908681 0.87586596675802 22.990 > 1 27 Na 0.83333333333333 0.46524869908681 0.87586596675802 22.990 > 1 28 Na 0.16666666666667 0.96524869908681 0.87586596675802 22.990 > 1 29 Na 0.50000000000000 0.96524869908681 0.87586596675802 22.990 > 1 30 Na 0.83333333333333 0.96524869908681 0.87586596675802 22.990 > 1 31 Na 0.00000000000000 0.28475130091319 0.37586596675802 22.990 > 7 32 Na 0.33333333333333 0.28475130091319 0.37586596675802 22.990 > 7 33 Na 0.66666666666667 0.28475130091319 0.37586596675802 22.990 > 7 34 Na 0.00000000000000 0.78475130091319 0.37586596675802 22.990 > 7 35 Na 0.33333333333333 0.78475130091319 0.37586596675802 22.990 > 7 36 Na 0.66666666666667 0.78475130091319 0.37586596675802 22.990 > 7 37 Na 0.00000000000000 0.41473354787053 0.58847311323164 22.990 > 13 38 Na 0.33333333333333 0.41473354787053 0.58847311323164 22.990 > 13 39 Na 0.66666666666667 0.41473354787053 0.58847311323164 22.990 > 13 40 Na 0.00000000000000 0.91473354787053 0.58847311323164 22.990 > 13 41 Na 0.33333333333333 0.91473354787053 0.58847311323164 22.990 > 13 42 Na 0.66666666666667 0.91473354787053 0.58847311323164 22.990 > 13 43 Na 0.16666666666667 0.33526645212947 0.08847311323164 22.990 > 19 44 Na 0.50000000000000 0.33526645212947 0.08847311323164 22.990 > 19 45 Na 0.83333333333333 0.33526645212947 0.08847311323164 22.990 > 19 46 Na 0.16666666666667 0.83526645212947 0.08847311323164 22.990 > 19 47 Na 0.50000000000000 0.83526645212947 0.08847311323164 22.990 > 19 48 Na 0.83333333333333 0.83526645212947 0.08847311323164 22.990 > 19 49 S 0.16666666666667 0.02488504362480 0.63398020673830 32.065 > 49 50 S 0.50000000000000 0.02488504362480 0.63398020673830 32.065 > 49 51 S 0.83333333333333 0.02488504362480 0.63398020673830 32.065 > 49 52 S 0.16666666666667 0.52488504362480 0.63398020673830 32.065 > 49 53 S 0.50000000000000 0.52488504362480 0.63398020673830 32.065 > 49 54 S 0.83333333333333 0.52488504362480 0.63398020673830 32.065 > 49 55 S 0.00000000000000 0.22511495637520 0.13398020673830 32.065 > 55 56 S 0.33333333333333 0.22511495637520 0.13398020673830 32.065 > 55 57 S 0.66666666666667 0.22511495637520 0.13398020673830 32.065 > 55 58 S 0.00000000000000 0.72511495637520 0.13398020673830 32.065 > 55 59 S 0.33333333333333 0.72511495637520 0.13398020673830 32.065 > 55 60 S 0.66666666666667 0.72511495637520 0.13398020673830 32.065 > 55 61 S 0.16666666666667 0.10892656654471 0.87043193532609 32.065 > 61 62 S 0.50000000000000 0.10892656654471 0.87043193532609 32.065 > 61 63 S 0.83333333333333 0.10892656654471 0.87043193532609 32.065 > 61 64 S 0.16666666666667 0.60892656654471 0.87043193532609 32.065 > 61 65 S 0.50000000000000 0.60892656654471 0.87043193532609 32.065 > 61 66 S 0.83333333333333 0.60892656654471 0.87043193532609 32.065 > 61 67 S 0.00000000000000 0.14107343345529 0.37043193532609 32.065 > 67 68 S 0.33333333333333 0.14107343345529 0.37043193532609 32.065 > 67 69 S 0.66666666666667 0.14107343345529 0.37043193532609 32.065 > 67 70 S 0.00000000000000 0.64107343345529 0.37043193532609 32.065 > 67 71 S 0.33333333333333 0.64107343345529 0.37043193532609 32.065 > 67 72 S 0.66666666666667 0.64107343345529 0.37043193532609 32.065 > 67 73 S 0.00000000000000 0.27488504362480 0.63398020673830 32.065 > 49 74 S 0.33333333333333 0.27488504362480 0.63398020673830 32.065 > 49 75 S 0.66666666666667 0.27488504362480 0.63398020673830 32.065 > 49 76 S 0.00000000000000 0.77488504362480 0.63398020673830 32.065 > 49 77 S 0.33333333333333 0.77488504362480 0.63398020673830 32.065 > 49 78 S 0.66666666666667 0.77488504362480 0.63398020673830 32.065 > 49 79 S 0.16666666666667 0.47511495637520 0.13398020673830 32.065 > 55 80 S 0.50000000000000 0.47511495637520 0.13398020673830 32.065 > 55 81 S 0.83333333333333 0.47511495637520 0.13398020673830 32.065 > 55 82 S 0.16666666666667 0.97511495637520 0.13398020673830 32.065 > 55 83 S 0.50000000000000 0.97511495637520 0.13398020673830 32.065 > 55 84 S 0.83333333333333 0.97511495637520 0.13398020673830 32.065 > 55 85 S 0.00000000000000 0.35892656654471 0.87043193532609 32.065 > 61 86 S 0.33333333333333 0.35892656654471 0.87043193532609 32.065 > 61 87 S 0.66666666666667 0.35892656654471 0.87043193532609 32.065 > 61 88 S 0.00000000000000 0.85892656654471 0.87043193532609 32.065 > 61 89 S 0.33333333333333 0.85892656654471 0.87043193532609 32.065 > 61 90 S 0.66666666666667 0.85892656654471 0.87043193532609 32.065 > 61 91 S 0.16666666666667 0.39107343345529 0.37043193532609 32.065 > 67 92 S 0.50000000000000 0.39107343345529 0.37043193532609 32.065 > 67 93 S 0.83333333333333 0.39107343345529 0.37043193532609 32.065 > 67 94 S 0.16666666666667 0.89107343345529 0.37043193532609 32.065 > 67 95 S 0.50000000000000 0.89107343345529 0.37043193532609 32.065 > 67 96 S 0.83333333333333 0.89107343345529 0.37043193532609 32.065 > 67 97 Pd 0.00000000000000 0.06733092480285 0.75124876794594 106.420 > 97 98 Pd 0.33333333333333 0.06733092480285 0.75124876794594 106.420 > 97 99 Pd 0.66666666666667 0.06733092480285 0.75124876794594 106.420 > 97 100 Pd 0.00000000000000 0.56733092480285 0.75124876794594 106.420 > 97 101 Pd 0.33333333333333 0.56733092480285 0.75124876794594 106.420 > 97 102 Pd 0.66666666666667 0.56733092480285 0.75124876794594 106.420 > 97 103 Pd 0.16666666666667 0.18266907519715 0.25124876794594 106.420 > 103 104 Pd 0.50000000000000 0.18266907519715 0.25124876794594 106.420 > 103 105 Pd 0.83333333333333 0.18266907519715 0.25124876794594 106.420 > 103 106 Pd 0.16666666666667 0.68266907519715 0.25124876794594 106.420 > 103 107 Pd 0.50000000000000 0.68266907519715 0.25124876794594 106.420 > 103 108 Pd 0.83333333333333 0.68266907519715 0.25124876794594 106.420 > 103 109 Pd 0.16666666666667 0.31733092480285 0.75124876794594 106.420 > 97 110 Pd 0.50000000000000 0.31733092480285 0.75124876794594 106.420 > 97 111 Pd 0.83333333333333 0.31733092480285 0.75124876794594 106.420 > 97 112 Pd 0.16666666666667 0.81733092480285 0.75124876794594 106.420 > 97 113 Pd 0.50000000000000 0.81733092480285 0.75124876794594 106.420 > 97 114 Pd 0.83333333333333 0.81733092480285 0.75124876794594 106.420 > 97 115 Pd 0.00000000000000 0.43266907519715 0.25124876794594 106.420 > 103 116 Pd 0.33333333333333 0.43266907519715 0.25124876794594 106.420 > 103 117 Pd 0.66666666666667 0.43266907519715 0.25124876794594 106.420 > 103 118 Pd 0.00000000000000 0.93266907519715 0.25124876794594 106.420 > 103 119 Pd 0.33333333333333 0.93266907519715 0.25124876794594 106.420 > 103 120 Pd 0.66666666666667 0.93266907519715 0.25124876794594 106.420 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.3345500 0.0000000 0.0000000 0.0000000 4.8028774 0.0000000 0.0000000 0.0000000 5.7937708 -------------------------- Born effective charges -------------------------- 1 Na 0.9831213 0.0000000 0.0000000 0.0000000 1.3676684 -0.2833129 0.0000000 0.0252817 1.0803542 2 Na 0.9831213 0.0000000 0.0000000 0.0000000 1.3676684 0.2833129 0.0000000 -0.0252817 1.0803542 3 Na 1.2008773 0.0000000 0.0000000 0.0000000 1.2984768 -0.1753063 0.0000000 0.1003386 1.3483353 4 Na 1.2008773 0.0000000 0.0000000 0.0000000 1.2984768 0.1753063 0.0000000 -0.1003386 1.3483353 5 S -2.4134353 0.0000000 0.0000000 0.0000000 -1.0706740 0.0603632 0.0000000 -0.0462454 -1.0822889 6 S -2.4134353 0.0000000 0.0000000 0.0000000 -1.0706740 -0.0603632 0.0000000 0.0462454 -1.0822889 7 S -2.4544648 0.0000000 0.0000000 0.0000000 -1.0581080 0.1122733 0.0000000 -0.0097021 -1.1121362 8 S -2.4544648 0.0000000 0.0000000 0.0000000 -1.0581080 -0.1122733 0.0000000 0.0097021 -1.1121362 9 Pd 2.6839015 0.0000000 0.0000000 0.0000000 -0.5373631 0.4411245 0.0000000 0.4115857 -0.2342644 10 Pd 2.6839015 0.0000000 0.0000000 0.0000000 -0.5373631 -0.4411245 0.0000000 -0.4115857 -0.2342644 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 ... [ 15 15 5 ] 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: 0.72, Number of G-points: 303, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/192) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 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 0.998 ( 0.000 0.000 -0.000) 0.000 1.635 ( 0.000 0.000 -0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 -0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 -0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 -0.000) 0.000 4.766 ( 0.000 0.000 -0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 -0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 6.060 ( 0.000 0.000 -0.000) 0.000 6.596 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 8.589 ( 0.000 0.000 -0.000) 0.000 8.589 ( 0.000 0.000 -0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000 9.590 ( 0.000 0.000 0.000) 0.000 9.699 ( 0.000 0.000 0.000) 0.000 9.727 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 9.989 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/192) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.198 ( 9.075 -15.761 0.000) 18.187 0.361 ( 15.010 -16.894 0.000) 22.599 1.089 ( 54.877 -5.745 0.000) 55.177 1.382 ( 32.888 -2.408 0.000) 32.976 1.624 ( -0.683 -1.301 0.000) 1.470 2.276 ( -8.823 3.315 0.000) 9.425 2.719 ( 5.521 -4.243 0.000) 6.962 3.162 ( -1.429 -0.562 0.000) 1.536 3.273 ( 7.450 -0.094 0.000) 7.451 3.489 ( 6.037 1.266 0.000) 6.168 3.691 ( -0.304 0.403 0.000) 0.505 3.894 ( 12.427 0.355 0.000) 12.432 3.982 ( 6.271 2.112 0.000) 6.617 4.179 ( 7.827 5.445 0.000) 9.535 4.744 ( -1.565 2.337 0.000) 2.813 4.969 ( -1.935 4.145 0.000) 4.575 5.053 ( -5.737 -6.631 0.000) 8.768 5.159 ( -1.015 -6.551 0.000) 6.629 5.784 ( -0.207 2.272 0.000) 2.281 6.033 ( -5.160 -3.754 0.000) 6.381 6.561 ( -8.465 -5.644 0.000) 10.174 6.693 ( -4.137 -4.788 0.000) 6.327 8.659 ( 7.161 0.338 0.000) 7.169 8.687 ( 9.292 -0.509 0.000) 9.306 9.439 ( -4.204 0.013 0.000) 4.204 9.496 ( -7.426 -0.187 0.000) 7.428 9.764 ( -0.553 0.191 0.000) 0.585 9.956 ( -3.231 0.314 0.000) 3.247 9.979 ( 3.082 -0.087 0.000) 3.083 10.618 ( 1.753 10.036 0.000) 10.188 ======================= Grid point 2 (3/192) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 22.392 -7.939 0.000) 23.758 0.800 ( 21.079 -13.440 0.000) 24.999 1.654 ( 3.959 -3.684 0.000) 5.407 1.941 ( 10.531 1.095 0.000) 10.587 2.147 ( 48.207 -4.969 0.000) 48.462 2.216 ( 20.700 -2.964 0.000) 20.911 2.895 ( 9.751 -4.675 0.000) 10.813 3.190 ( 6.147 0.141 0.000) 6.148 3.463 ( 10.631 0.040 0.000) 10.631 3.582 ( 2.224 -0.257 0.000) 2.239 3.723 ( 5.493 0.220 0.000) 5.498 4.047 ( 6.913 -1.313 0.000) 7.037 4.240 ( 17.568 2.258 0.000) 17.713 4.337 ( 11.659 4.262 0.000) 12.414 4.679 ( -2.850 4.439 0.000) 5.275 4.904 ( -1.612 3.501 0.000) 3.854 4.974 ( -6.243 -5.825 0.000) 8.538 5.183 ( -0.896 -6.132 0.000) 6.197 5.757 ( -0.421 4.115 0.000) 4.137 5.943 ( -6.394 -3.127 0.000) 7.118 6.413 ( -8.907 -0.333 0.000) 8.913 6.614 ( -6.695 -3.169 0.000) 7.408 8.830 ( 10.202 0.205 0.000) 10.204 8.902 ( 12.046 -0.279 0.000) 12.049 9.325 ( -7.561 0.223 0.000) 7.564 9.340 ( -9.056 -0.186 0.000) 9.058 9.664 ( -8.707 0.054 0.000) 8.707 9.865 ( -5.927 0.602 0.000) 5.958 10.072 ( 5.073 0.161 0.000) 5.075 10.568 ( -1.821 5.481 0.000) 5.775 ======================= Grid point 3 (4/192) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 29.767 -3.696 0.000) 29.996 1.325 ( 26.430 -9.187 0.000) 27.981 1.830 ( 11.805 -5.028 0.000) 12.831 1.994 ( 6.366 -1.310 0.000) 6.499 2.676 ( 18.126 -5.374 0.000) 18.906 3.071 ( 25.994 -6.161 0.000) 26.714 3.176 ( 30.853 -2.066 0.000) 30.922 3.417 ( 16.350 2.148 0.000) 16.491 3.580 ( 2.373 -0.645 0.000) 2.459 3.677 ( 10.057 -1.079 0.000) 10.114 3.860 ( 6.687 -2.659 0.000) 7.196 4.210 ( 9.290 -0.616 0.000) 9.310 4.474 ( 8.179 4.594 0.000) 9.381 4.551 ( 6.747 1.983 0.000) 7.033 4.609 ( 3.932 4.115 0.000) 5.691 4.894 ( 2.940 -0.049 0.000) 2.940 4.929 ( -0.604 -3.600 0.000) 3.651 5.207 ( 0.379 -3.289 0.000) 3.310 5.716 ( -1.248 4.062 0.000) 4.249 5.839 ( -6.110 -1.983 0.000) 6.424 6.243 ( -8.355 1.369 0.000) 8.467 6.496 ( -6.839 -1.422 0.000) 6.986 8.956 ( -1.562 0.141 0.000) 1.568 9.090 ( 0.597 0.518 0.000) 0.790 9.161 ( -2.907 0.379 0.000) 2.931 9.231 ( 1.370 -0.509 0.000) 1.461 9.476 ( -10.183 -0.260 0.000) 10.187 9.732 ( -7.364 0.951 0.000) 7.425 10.134 ( 1.359 0.326 0.000) 1.398 10.477 ( -4.599 3.944 0.000) 6.058 ======================= Grid point 4 (5/192) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 27.861 -2.645 0.000) 27.986 1.880 ( 25.309 -6.364 0.000) 26.097 2.162 ( 20.756 -2.947 0.000) 20.964 2.275 ( 20.791 -5.147 0.000) 21.418 2.942 ( 8.791 -4.022 0.000) 9.667 3.306 ( 5.883 -2.199 0.000) 6.281 3.553 ( 6.307 -0.770 0.000) 6.354 3.657 ( 2.685 -0.715 0.000) 2.779 3.855 ( 6.043 -3.767 0.000) 7.121 3.979 ( 26.554 -0.272 0.000) 26.555 4.082 ( 19.971 -4.303 0.000) 20.429 4.376 ( 5.440 -0.218 0.000) 5.444 4.502 ( 1.422 1.296 0.000) 1.924 4.564 ( 4.502 2.526 0.000) 5.162 4.771 ( 9.321 -0.002 0.000) 9.321 4.993 ( 6.388 2.275 0.000) 6.781 5.056 ( 11.071 -1.940 0.000) 11.240 5.248 ( 3.598 1.371 0.000) 3.851 5.647 ( -4.304 0.918 0.000) 4.401 5.761 ( -1.640 1.674 0.000) 2.343 6.086 ( -6.980 2.303 0.000) 7.350 6.390 ( -4.654 -0.246 0.000) 4.660 8.763 ( -14.900 0.311 0.000) 14.903 8.854 ( -16.211 0.831 0.000) 16.232 9.237 ( -1.620 -0.311 0.000) 1.650 9.345 ( 4.816 0.345 0.000) 4.828 9.383 ( 6.155 -0.827 0.000) 6.211 9.585 ( -7.188 0.955 0.000) 7.251 10.117 ( -2.771 0.167 0.000) 2.776 10.344 ( -6.945 3.104 0.000) 7.607 ======================= Grid point 5 (6/192) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 22.493 -4.036 0.000) 22.852 2.336 ( 19.764 -5.807 0.000) 20.599 2.618 ( 23.852 0.875 0.000) 23.868 2.771 ( 25.888 -3.186 0.000) 26.083 3.108 ( 7.218 -2.465 0.000) 7.627 3.363 ( 1.482 -0.387 0.000) 1.532 3.659 ( -2.587 -2.587 0.000) 3.659 3.702 ( 5.153 -2.226 0.000) 5.613 3.878 ( -0.794 -5.589 0.000) 5.645 4.243 ( 5.523 0.241 0.000) 5.528 4.322 ( -2.502 0.811 0.000) 2.630 4.397 ( -0.493 -3.768 0.000) 3.800 4.621 ( 10.886 0.804 0.000) 10.916 4.853 ( 17.654 -0.409 0.000) 17.659 4.997 ( 14.841 -2.446 0.000) 15.041 5.105 ( 8.747 3.646 0.000) 9.477 5.220 ( 4.716 4.011 0.000) 6.191 5.360 ( 10.230 2.821 0.000) 10.611 5.599 ( 1.141 -1.589 0.000) 1.956 5.750 ( 1.191 1.645 0.000) 2.031 5.957 ( -4.464 3.049 0.000) 5.406 6.325 ( -2.301 0.953 0.000) 2.491 8.452 ( -16.932 0.397 0.000) 16.937 8.516 ( -18.344 0.815 0.000) 18.362 9.170 ( -3.131 -1.150 0.000) 3.336 9.434 ( -0.729 1.100 0.000) 1.319 9.476 ( 1.519 0.431 0.000) 1.579 9.524 ( 5.346 -0.989 0.000) 5.437 10.038 ( -5.276 -0.166 0.000) 5.278 10.181 ( -8.187 2.598 0.000) 8.590 ======================= Grid point 6 (7/192) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 19.204 -3.300 0.000) 19.486 2.726 ( 18.088 -4.253 0.000) 18.582 2.946 ( 11.615 3.147 0.000) 12.034 3.144 ( 6.709 -2.628 0.000) 7.206 3.268 ( 9.847 -1.009 0.000) 9.899 3.433 ( 4.543 -0.764 0.000) 4.607 3.611 ( -3.355 -2.451 0.000) 4.155 3.698 ( -4.196 -2.794 0.000) 5.042 3.984 ( 6.378 -2.131 0.000) 6.724 4.233 ( -1.986 0.300 0.000) 2.008 4.291 ( 0.005 0.028 0.000) 0.028 4.442 ( 1.809 -5.514 0.000) 5.803 4.755 ( 4.554 1.528 0.000) 4.804 5.004 ( 2.157 2.472 0.000) 3.281 5.168 ( 5.117 0.260 0.000) 5.123 5.227 ( 1.605 3.995 0.000) 4.305 5.425 ( 16.045 0.213 0.000) 16.047 5.526 ( 7.986 0.672 0.000) 8.014 5.704 ( 6.093 -0.822 0.000) 6.148 5.773 ( 1.720 -0.536 0.000) 1.802 5.912 ( 3.008 3.127 0.000) 4.339 6.277 ( -2.010 2.168 0.000) 2.956 8.150 ( -13.994 0.515 0.000) 14.003 8.185 ( -15.155 0.345 0.000) 15.159 9.147 ( -0.296 -1.044 0.000) 1.085 9.375 ( -1.953 -0.150 0.000) 1.959 9.539 ( 2.427 0.625 0.000) 2.506 9.598 ( 1.526 -0.644 0.000) 1.656 9.941 ( -4.538 -0.428 0.000) 4.558 10.017 ( -6.878 2.153 0.000) 7.207 ======================= Grid point 7 (8/192) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 12.792 -0.651 0.000) 12.808 3.026 ( 7.266 0.279 0.000) 7.272 3.083 ( 8.005 0.277 0.000) 8.010 3.179 ( -0.231 -0.834 0.000) 0.865 3.321 ( -4.874 -2.452 0.000) 5.456 3.460 ( -7.983 -8.385 0.000) 11.577 3.543 ( 1.180 5.417 0.000) 5.544 3.699 ( 2.435 2.824 0.000) 3.729 4.102 ( 5.096 -2.625 0.000) 5.733 4.207 ( -2.790 1.267 0.000) 3.064 4.310 ( 1.991 -0.524 0.000) 2.059 4.520 ( 2.352 -2.658 0.000) 3.550 4.796 ( 1.030 0.788 0.000) 1.297 5.003 ( 0.294 1.666 0.000) 1.692 5.215 ( 1.061 0.759 0.000) 1.305 5.249 ( 1.205 0.409 0.000) 1.272 5.566 ( 2.061 0.195 0.000) 2.070 5.643 ( 2.956 0.090 0.000) 2.958 5.774 ( 1.266 -0.378 0.000) 1.321 5.844 ( 4.091 -0.484 0.000) 4.120 5.991 ( 3.941 1.065 0.000) 4.083 6.222 ( -1.853 1.510 0.000) 2.391 7.949 ( -5.890 0.387 0.000) 5.903 7.982 ( -5.639 -0.100 0.000) 5.640 9.156 ( 0.392 -0.371 0.000) 0.539 9.369 ( 0.391 -0.503 0.000) 0.638 9.557 ( 0.533 0.436 0.000) 0.689 9.593 ( -1.635 -0.222 0.000) 1.651 9.887 ( -1.435 -0.310 0.000) 1.468 9.917 ( -2.279 0.979 0.000) 2.480 ======================= Grid point 16 (9/192) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 25.860 0.000 0.000) 25.860 0.707 ( 24.927 0.000 0.000) 24.927 1.630 ( 3.767 0.000 0.000) 3.767 1.948 ( 12.734 0.000 0.000) 12.734 2.114 ( 53.077 0.000 0.000) 53.077 2.198 ( 13.326 0.000 0.000) 13.326 2.864 ( 10.721 0.000 0.000) 10.721 3.191 ( 6.686 0.000 0.000) 6.686 3.463 ( 10.907 0.000 0.000) 10.907 3.580 ( 1.464 0.000 0.000) 1.464 3.724 ( 4.991 0.000 0.000) 4.991 4.038 ( 7.057 0.000 0.000) 7.057 4.254 ( 18.088 0.000 0.000) 18.088 4.366 ( 9.997 0.000 0.000) 9.997 4.715 ( -2.385 -0.000 0.000) 2.385 4.924 ( -6.528 -0.000 0.000) 6.528 4.935 ( -2.343 -0.000 0.000) 2.343 5.139 ( 0.858 0.000 0.000) 0.858 5.790 ( -0.072 -0.000 0.000) 0.072 5.915 ( -6.422 -0.000 0.000) 6.422 6.412 ( -7.881 -0.000 0.000) 7.881 6.591 ( -5.589 -0.000 0.000) 5.589 8.832 ( 10.137 0.000 0.000) 10.137 8.900 ( 12.194 0.000 0.000) 12.194 9.327 ( -7.339 -0.000 0.000) 7.339 9.338 ( -9.195 -0.000 0.000) 9.195 9.664 ( -8.799 -0.000 0.000) 8.799 9.869 ( -5.893 -0.000 0.000) 5.893 10.073 ( 5.147 0.000 0.000) 5.147 10.605 ( -3.517 -0.000 0.000) 3.517 ======================= Grid point 17 (10/192) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 31.514 -1.448 0.000) 31.547 1.244 ( 29.842 -3.175 0.000) 30.011 1.784 ( 12.598 -1.868 0.000) 12.736 1.985 ( 3.986 -0.288 0.000) 3.996 2.628 ( 18.836 -1.909 0.000) 18.933 3.014 ( 27.908 -2.425 0.000) 28.014 3.158 ( 31.569 -0.665 0.000) 31.576 3.439 ( 17.537 1.024 0.000) 17.567 3.573 ( 0.090 -0.339 0.000) 0.351 3.665 ( 11.227 -0.496 0.000) 11.238 3.833 ( 4.513 -1.198 0.000) 4.670 4.207 ( 10.161 -0.068 0.000) 10.161 4.522 ( 6.628 2.567 0.000) 7.108 4.561 ( 9.731 -0.299 0.000) 9.735 4.660 ( -0.424 3.112 0.000) 3.141 4.848 ( 0.300 -3.576 0.000) 3.588 4.929 ( 2.903 0.814 0.000) 3.015 5.176 ( 2.497 -1.311 0.000) 2.820 5.766 ( -2.824 3.602 0.000) 4.577 5.808 ( -4.187 -2.844 0.000) 5.062 6.257 ( -8.003 0.631 0.000) 8.028 6.481 ( -6.002 -0.682 0.000) 6.040 8.957 ( -1.547 0.040 0.000) 1.547 9.095 ( 1.140 0.163 0.000) 1.151 9.164 ( -2.837 0.160 0.000) 2.841 9.226 ( 0.904 -0.207 0.000) 0.927 9.474 ( -10.300 -0.081 0.000) 10.300 9.740 ( -7.386 0.330 0.000) 7.394 10.137 ( 1.315 0.113 0.000) 1.320 10.513 ( -5.641 1.442 0.000) 5.823 ======================= Grid point 18 (11/192) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 27.265 -1.962 0.000) 27.336 1.821 ( 27.185 -2.748 0.000) 27.324 2.140 ( 23.517 -0.539 0.000) 23.523 2.214 ( 20.209 -4.032 0.000) 20.607 2.901 ( 10.222 -2.212 0.000) 10.458 3.281 ( 7.826 -1.515 0.000) 7.972 3.545 ( 4.275 -0.443 0.000) 4.298 3.655 ( 3.733 0.270 0.000) 3.743 3.813 ( 3.010 -2.568 0.000) 3.956 3.977 ( 23.486 -0.043 0.000) 23.486 4.035 ( 26.684 -2.773 0.000) 26.828 4.377 ( 4.801 0.213 0.000) 4.806 4.519 ( -2.069 1.013 0.000) 2.304 4.601 ( 4.641 2.764 0.000) 5.402 4.757 ( 7.681 -1.664 0.000) 7.859 5.024 ( 7.416 1.957 0.000) 7.670 5.033 ( 12.757 -1.400 0.000) 12.833 5.256 ( 5.806 0.013 0.000) 5.806 5.658 ( -5.553 0.791 0.000) 5.609 5.779 ( -0.647 1.066 0.000) 1.247 6.110 ( -6.741 1.357 0.000) 6.876 6.385 ( -4.201 -0.379 0.000) 4.218 8.766 ( -14.860 0.157 0.000) 14.861 8.862 ( -16.217 0.431 0.000) 16.223 9.234 ( -2.733 -0.127 0.000) 2.736 9.350 ( 7.078 0.341 0.000) 7.086 9.374 ( 4.965 -0.616 0.000) 5.003 9.594 ( -7.497 0.486 0.000) 7.513 10.119 ( -2.941 0.092 0.000) 2.943 10.377 ( -7.575 1.760 0.000) 7.776 ======================= Grid point 19 (12/192) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 22.269 -3.338 0.000) 22.518 2.276 ( 20.429 -3.327 0.000) 20.698 2.632 ( 26.291 1.245 0.000) 26.320 2.731 ( 27.371 -2.929 0.000) 27.527 3.082 ( 8.393 -1.484 0.000) 8.523 3.358 ( 2.046 -0.325 0.000) 2.072 3.630 ( -2.712 -1.842 0.000) 3.278 3.682 ( 2.563 -0.842 0.000) 2.697 3.813 ( 1.397 -4.307 0.000) 4.528 4.236 ( 6.947 -1.117 0.000) 7.037 4.333 ( -3.022 0.958 0.000) 3.170 4.365 ( -2.875 -1.397 0.000) 3.197 4.636 ( 13.403 1.494 0.000) 13.486 4.843 ( 15.836 -1.131 0.000) 15.877 4.973 ( 15.369 -1.274 0.000) 15.422 5.146 ( 8.368 2.585 0.000) 8.758 5.246 ( 7.597 0.524 0.000) 7.615 5.402 ( 9.811 3.020 0.000) 10.265 5.585 ( -0.164 -0.476 0.000) 0.504 5.766 ( -0.050 0.804 0.000) 0.805 5.991 ( -4.319 2.174 0.000) 4.835 6.332 ( -1.730 0.241 0.000) 1.747 8.457 ( -16.928 0.264 0.000) 16.931 8.525 ( -18.510 0.543 0.000) 18.518 9.158 ( -3.130 -0.643 0.000) 3.195 9.449 ( -1.983 1.093 0.000) 2.265 9.480 ( 1.996 0.113 0.000) 2.000 9.511 ( 5.656 -0.996 0.000) 5.743 10.036 ( -5.447 -0.101 0.000) 5.448 10.210 ( -8.542 1.878 0.000) 8.747 ======================= Grid point 20 (13/192) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 20.393 -3.105 0.000) 20.628 2.674 ( 19.387 -3.605 0.000) 19.720 2.987 ( 11.625 3.107 0.000) 12.033 3.113 ( 7.491 -2.210 0.000) 7.810 3.259 ( 9.375 -0.410 0.000) 9.384 3.413 ( -0.747 -2.180 0.000) 2.305 3.594 ( 2.700 -0.374 0.000) 2.725 3.671 ( -0.220 -1.337 0.000) 1.355 3.958 ( 7.447 -1.849 0.000) 7.673 4.239 ( -3.391 0.521 0.000) 3.431 4.292 ( 0.073 0.134 0.000) 0.153 4.372 ( 1.684 -5.172 0.000) 5.439 4.780 ( 4.542 2.334 0.000) 5.107 5.021 ( 3.740 0.465 0.000) 3.769 5.165 ( 4.512 -0.592 0.000) 4.551 5.282 ( 0.021 3.964 0.000) 3.964 5.428 ( 15.624 0.243 0.000) 15.626 5.539 ( 7.081 1.370 0.000) 7.213 5.686 ( 6.249 -1.501 0.000) 6.427 5.771 ( 1.412 -0.054 0.000) 1.413 5.948 ( 2.036 2.238 0.000) 3.025 6.300 ( -1.656 1.369 0.000) 2.149 8.155 ( -13.879 0.377 0.000) 13.885 8.190 ( -15.610 0.319 0.000) 15.613 9.136 ( 0.090 -0.662 0.000) 0.668 9.373 ( -2.601 -0.168 0.000) 2.606 9.546 ( 2.342 0.483 0.000) 2.391 9.590 ( 1.794 -0.652 0.000) 1.909 9.936 ( -4.566 -0.277 0.000) 4.574 10.044 ( -7.301 1.843 0.000) 7.530 ======================= Grid point 21 (14/192) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 13.929 -1.426 0.000) 14.001 3.023 ( 12.264 -0.814 0.000) 12.291 3.085 ( 2.463 0.151 0.000) 2.467 3.172 ( 1.418 -0.212 0.000) 1.434 3.288 ( -3.010 -2.448 0.000) 3.880 3.360 ( -6.095 -6.346 0.000) 8.799 3.627 ( 2.769 6.972 0.000) 7.502 3.737 ( 0.987 2.934 0.000) 3.096 4.071 ( 5.179 -2.076 0.000) 5.579 4.221 ( -1.148 0.665 0.000) 1.327 4.303 ( 1.714 -0.486 0.000) 1.781 4.475 ( 4.866 -4.312 0.000) 6.501 4.809 ( 0.253 1.351 0.000) 1.375 5.026 ( -1.067 2.034 0.000) 2.297 5.223 ( 0.986 -0.407 0.000) 1.067 5.249 ( -1.039 0.503 0.000) 1.155 5.569 ( 1.824 0.217 0.000) 1.837 5.645 ( 2.852 0.211 0.000) 2.860 5.757 ( 1.037 -1.811 0.000) 2.087 5.846 ( 4.814 0.445 0.000) 4.835 6.005 ( 2.753 1.101 0.000) 2.965 6.242 ( -3.171 1.440 0.000) 3.483 7.955 ( -6.334 0.415 0.000) 6.348 7.980 ( -5.577 -0.145 0.000) 5.579 9.153 ( 0.982 -0.117 0.000) 0.989 9.361 ( 0.613 -0.649 0.000) 0.893 9.562 ( 0.289 0.408 0.000) 0.500 9.590 ( -1.457 -0.302 0.000) 1.488 9.883 ( -1.225 -0.238 0.000) 1.248 9.932 ( -3.215 1.139 0.000) 3.410 ======================= Grid point 22 (15/192) ======================= q-point: (-0.53 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -11.571 -0.321 0.000) 11.576 3.018 ( -4.974 -0.765 0.000) 5.033 3.077 ( -10.602 -0.622 0.000) 10.620 3.194 ( 2.577 1.366 0.000) 2.917 3.347 ( 6.359 1.485 0.000) 6.530 3.465 ( 8.580 -4.043 0.000) 9.484 3.595 ( 1.850 9.479 0.000) 9.658 3.669 ( -4.732 -1.256 0.000) 4.896 4.134 ( -4.209 2.074 0.000) 4.692 4.193 ( 3.418 -0.740 0.000) 3.497 4.314 ( -1.483 0.118 0.000) 1.488 4.544 ( 0.623 1.017 0.000) 1.193 4.788 ( -1.918 -0.479 0.000) 1.977 4.984 ( -2.571 -0.901 0.000) 2.724 5.210 ( -1.915 -0.108 0.000) 1.918 5.231 ( -2.203 -2.299 0.000) 3.184 5.564 ( -2.262 -0.154 0.000) 2.268 5.644 ( -2.947 0.149 0.000) 2.951 5.763 ( -1.992 -1.752 0.000) 2.653 5.861 ( -2.520 1.785 0.000) 3.088 5.980 ( -5.364 -0.456 0.000) 5.383 6.203 ( -0.011 -1.434 0.000) 1.434 7.945 ( 5.472 -0.310 0.000) 5.481 7.983 ( 5.671 0.057 0.000) 5.671 9.163 ( 0.205 0.603 0.000) 0.637 9.373 ( 0.006 0.202 0.000) 0.202 9.551 ( -0.929 -0.426 0.000) 1.022 9.596 ( 1.817 0.153 0.000) 1.823 9.890 ( 1.904 0.039 0.000) 1.904 9.908 ( 1.044 -0.314 0.000) 1.090 ======================= Grid point 23 (16/192) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -17.612 2.948 0.000) 17.857 2.779 ( -15.994 3.770 0.000) 16.432 2.907 ( -11.604 -2.891 0.000) 11.959 3.180 ( -6.781 2.747 0.000) 7.316 3.284 ( -9.168 1.429 0.000) 9.279 3.432 ( -6.987 -0.738 0.000) 7.026 3.651 ( 5.336 3.135 0.000) 6.189 3.749 ( 8.714 5.423 0.000) 10.264 4.013 ( -5.622 2.330 0.000) 6.085 4.232 ( 0.967 0.166 0.000) 0.981 4.291 ( -0.081 0.053 0.000) 0.097 4.513 ( -0.688 5.293 0.000) 5.338 4.740 ( -4.224 -0.924 0.000) 4.324 4.953 ( -2.711 -5.074 0.000) 5.753 5.157 ( -5.229 -1.558 0.000) 5.456 5.185 ( -3.727 -2.601 0.000) 4.544 5.426 ( -15.448 0.570 0.000) 15.459 5.520 ( -8.625 -0.266 0.000) 8.629 5.698 ( -5.166 -1.574 0.000) 5.400 5.794 ( -3.456 2.744 0.000) 4.413 5.868 ( -3.709 -3.536 0.000) 5.124 6.244 ( 1.970 -2.997 0.000) 3.587 8.142 ( 14.091 -0.569 0.000) 14.103 8.181 ( 14.651 -0.299 0.000) 14.654 9.163 ( 0.799 1.370 0.000) 1.586 9.376 ( 1.254 0.050 0.000) 1.256 9.529 ( -2.552 -0.779 0.000) 2.669 9.606 ( -1.277 0.543 0.000) 1.388 9.947 ( 4.415 0.492 0.000) 4.443 9.990 ( 6.454 -1.952 0.000) 6.743 ======================= Grid point 24 (17/192) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -23.224 3.816 0.000) 23.535 2.421 ( -18.213 7.068 0.000) 19.537 2.611 ( -20.100 -0.086 0.000) 20.101 2.811 ( -24.648 2.843 0.000) 24.812 3.146 ( -6.025 3.263 0.000) 6.851 3.368 ( -0.703 0.352 0.000) 0.786 3.697 ( 1.318 3.147 0.000) 3.412 3.737 ( -6.511 3.102 0.000) 7.212 3.954 ( 2.361 6.083 0.000) 6.525 4.234 ( -4.840 -0.780 0.000) 4.902 4.310 ( 2.288 -0.955 0.000) 2.480 4.461 ( -1.405 5.953 0.000) 6.117 4.616 ( -8.918 0.154 0.000) 8.920 4.850 ( -16.212 -1.122 0.000) 16.251 5.030 ( -20.538 0.672 0.000) 20.549 5.059 ( -3.893 -1.662 0.000) 4.233 5.143 ( -3.904 -7.163 0.000) 8.158 5.336 ( -10.989 -1.005 0.000) 11.035 5.619 ( -1.539 1.067 0.000) 1.873 5.724 ( -2.565 -2.189 0.000) 3.372 5.917 ( 4.832 -2.726 0.000) 5.548 6.305 ( 2.874 -2.147 0.000) 3.587 8.447 ( 16.937 -0.467 0.000) 16.944 8.504 ( 18.068 -0.963 0.000) 18.093 9.188 ( 3.183 1.681 0.000) 3.599 9.421 ( 0.125 -0.994 0.000) 1.001 9.468 ( -1.588 -0.860 0.000) 1.806 9.536 ( -5.305 0.818 0.000) 5.368 10.040 ( 5.029 0.170 0.000) 5.032 10.146 ( 7.735 -2.677 0.000) 8.186 ======================= Grid point 25 (18/192) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -28.405 2.316 0.000) 28.500 1.982 ( -23.053 9.117 0.000) 24.791 2.217 ( -17.735 5.623 0.000) 18.605 2.343 ( -20.062 5.203 0.000) 20.726 3.002 ( -6.940 5.006 0.000) 8.557 3.334 ( -3.694 2.123 0.000) 4.260 3.564 ( -8.373 1.039 0.000) 8.438 3.674 ( -2.503 1.752 0.000) 3.055 3.905 ( -10.287 3.790 0.000) 10.963 3.984 ( -24.174 0.563 0.000) 24.180 4.136 ( -16.926 3.602 0.000) 17.305 4.384 ( -7.200 1.001 0.000) 7.269 4.491 ( -4.943 -0.173 0.000) 4.946 4.543 ( -3.617 -0.351 0.000) 3.634 4.751 ( -12.356 -3.084 0.000) 12.735 4.971 ( -6.199 -1.197 0.000) 6.314 5.076 ( -7.687 0.932 0.000) 7.743 5.221 ( -0.084 -2.538 0.000) 2.540 5.633 ( 1.232 -1.509 0.000) 1.948 5.742 ( 4.004 -0.911 0.000) 4.106 6.054 ( 7.420 -2.543 0.000) 7.843 6.389 ( 5.252 -0.627 0.000) 5.289 8.758 ( 14.933 -0.434 0.000) 14.939 8.841 ( 16.172 -1.164 0.000) 16.214 9.242 ( -0.300 0.500 0.000) 0.583 9.342 ( -2.540 -0.180 0.000) 2.546 9.394 ( -6.609 0.850 0.000) 6.663 9.570 ( 6.769 -1.403 0.000) 6.913 10.115 ( 2.512 -0.229 0.000) 2.522 10.299 ( 6.043 -3.729 0.000) 7.101 ======================= Grid point 26 (19/192) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -26.767 4.543 0.000) 27.150 1.475 ( -21.401 13.426 0.000) 25.264 1.908 ( -10.642 6.805 0.000) 12.632 2.025 ( -9.716 3.756 0.000) 10.417 2.763 ( -16.639 7.852 0.000) 18.399 3.161 ( -21.142 7.152 0.000) 22.319 3.212 ( -30.897 3.487 0.000) 31.093 3.389 ( -16.794 -2.031 0.000) 16.917 3.590 ( -3.902 0.864 0.000) 3.996 3.689 ( -9.770 0.566 0.000) 9.786 3.893 ( -9.839 1.968 0.000) 10.034 4.227 ( -7.591 2.064 0.000) 7.867 4.409 ( -9.503 -5.280 0.000) 10.871 4.520 ( -8.963 -2.676 0.000) 9.354 4.554 ( -3.927 -4.049 0.000) 5.641 4.868 ( -4.881 -2.841 0.000) 5.648 4.995 ( 2.548 5.327 0.000) 5.906 5.257 ( 3.390 4.256 0.000) 5.442 5.662 ( 0.241 -4.154 0.000) 4.161 5.861 ( 7.371 1.425 0.000) 7.508 6.225 ( 9.386 -1.398 0.000) 9.489 6.513 ( 7.910 1.029 0.000) 7.976 8.953 ( 1.584 -0.267 0.000) 1.607 9.081 ( 0.321 -0.946 0.000) 0.998 9.155 ( 2.927 -0.430 0.000) 2.959 9.239 ( -2.075 0.618 0.000) 2.165 9.480 ( 9.949 0.483 0.000) 9.961 9.716 ( 7.332 -1.475 0.000) 7.479 10.128 ( -1.456 -0.508 0.000) 1.542 10.415 ( 2.915 -5.446 0.000) 6.177 ======================= Grid point 27 (20/192) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -15.837 11.454 0.000) 19.545 1.026 ( -14.611 20.390 0.000) 25.085 1.722 ( -4.506 6.533 0.000) 7.936 1.922 ( -6.556 -1.559 0.000) 6.739 2.231 ( -35.636 7.417 0.000) 36.400 2.285 ( -37.264 7.983 0.000) 38.110 2.975 ( -7.841 7.241 0.000) 10.673 3.185 ( -4.912 -0.791 0.000) 4.975 3.463 ( -10.301 0.127 0.000) 10.302 3.585 ( -3.462 0.254 0.000) 3.471 3.716 ( -6.853 -1.101 0.000) 6.941 4.071 ( -7.351 2.138 0.000) 7.655 4.196 ( -16.196 -4.509 0.000) 16.812 4.269 ( -14.171 -5.604 0.000) 15.239 4.619 ( 3.035 -4.399 0.000) 5.344 4.851 ( 0.114 -4.369 0.000) 4.371 5.056 ( 6.875 6.421 0.000) 9.407 5.282 ( 3.626 8.770 0.000) 9.490 5.699 ( 0.617 -4.603 0.000) 4.644 5.977 ( 6.106 1.992 0.000) 6.422 6.425 ( 11.735 1.517 0.000) 11.833 6.662 ( 9.171 3.851 0.000) 9.947 8.826 ( -10.338 -0.391 0.000) 10.346 8.906 ( -11.705 0.360 0.000) 11.710 9.322 ( 7.879 -0.313 0.000) 7.885 9.342 ( 8.954 0.164 0.000) 8.956 9.663 ( 8.449 -0.063 0.000) 8.449 9.853 ( 6.014 -1.147 0.000) 6.122 10.068 ( -4.878 -0.345 0.000) 4.890 10.473 ( -1.851 -8.642 0.000) 8.838 ======================= Grid point 28 (21/192) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -2.009 19.829 0.000) 19.930 0.652 ( -9.994 24.480 0.000) 26.441 1.232 ( -45.934 15.696 0.000) 48.541 1.443 ( -32.116 6.775 0.000) 32.823 1.659 ( -0.113 4.196 0.000) 4.197 2.209 ( 6.581 -6.277 0.000) 9.095 2.810 ( -3.842 8.919 0.000) 9.712 3.172 ( 1.469 0.773 0.000) 1.660 3.274 ( -7.136 -0.059 0.000) 7.136 3.466 ( -8.233 -1.857 0.000) 8.440 3.680 ( 0.168 -1.410 0.000) 1.420 3.883 ( -13.359 -1.624 0.000) 13.457 3.926 ( -14.240 -5.950 0.000) 15.433 4.114 ( -4.619 -2.774 0.000) 5.388 4.698 ( 1.950 -4.343 0.000) 4.760 4.903 ( 1.454 -5.301 0.000) 5.497 5.156 ( 8.450 7.509 0.000) 11.304 5.278 ( 2.577 10.598 0.000) 10.906 5.742 ( 0.906 -3.899 0.000) 4.003 6.071 ( 5.087 1.158 0.000) 5.218 6.642 ( 12.335 4.859 0.000) 13.257 6.831 ( 19.195 14.778 0.000) 24.225 8.652 ( -7.523 -0.628 0.000) 7.549 8.697 ( -8.887 0.875 0.000) 8.930 9.439 ( 4.274 -0.036 0.000) 4.275 9.500 ( 7.696 0.407 0.000) 7.707 9.759 ( 0.379 -0.508 0.000) 0.634 9.948 ( 2.865 -0.918 0.000) 3.009 9.981 ( -2.856 0.178 0.000) 2.862 10.422 ( -15.141 -17.220 0.000) 22.930 ======================= Grid point 29 (22/192) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( 0.000 21.441 0.000) 21.441 0.301 ( 0.000 22.813 0.000) 22.813 0.505 ( 0.000 38.633 0.000) 38.633 1.036 ( 0.000 5.638 0.000) 5.638 1.648 ( 0.000 2.086 0.000) 2.086 2.332 ( -0.000 -7.240 0.000) 7.240 2.717 ( 0.000 8.924 0.000) 8.924 3.148 ( -0.000 -0.175 0.000) 0.175 3.255 ( 0.000 1.346 0.000) 1.346 3.325 ( -0.000 -0.976 0.000) 0.976 3.694 ( -0.000 -0.624 0.000) 0.624 3.703 ( -0.000 -1.538 0.000) 1.538 3.733 ( -0.000 -1.059 0.000) 1.059 4.095 ( -0.000 -0.068 0.000) 0.068 4.742 ( -0.000 -3.410 0.000) 3.410 4.956 ( -0.000 -5.488 0.000) 5.488 5.216 ( 0.000 8.725 0.000) 8.725 5.293 ( 0.000 2.757 0.000) 2.757 5.777 ( -0.000 -2.520 0.000) 2.520 6.148 ( -0.000 -2.462 0.000) 2.462 6.729 ( 0.000 2.539 0.000) 2.539 7.643 ( -0.000 -2.539 0.000) 2.539 8.574 ( -0.000 -1.150 0.000) 1.150 8.601 ( 0.000 0.906 0.000) 0.906 9.480 ( 0.000 0.080 0.000) 0.080 9.658 ( -0.000 -0.567 0.000) 0.567 9.692 ( -0.000 -0.731 0.000) 0.731 9.738 ( 0.000 1.512 0.000) 1.512 9.987 ( -0.000 -0.240 0.000) 0.240 10.013 ( -0.000 -0.411 0.000) 0.411 ======================= Grid point 32 (23/192) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 27.018 0.000 0.000) 27.018 1.804 ( 27.908 0.000 0.000) 27.908 2.140 ( 26.075 0.000 0.000) 26.075 2.183 ( 18.354 0.000 0.000) 18.354 2.887 ( 10.757 0.000 0.000) 10.757 3.270 ( 8.603 0.000 0.000) 8.603 3.542 ( 3.458 0.000 0.000) 3.458 3.658 ( 4.456 0.000 0.000) 4.456 3.795 ( 1.639 0.000 0.000) 1.639 3.977 ( 18.267 0.000 0.000) 18.267 4.016 ( 33.192 0.000 0.000) 33.192 4.379 ( 4.790 0.000 0.000) 4.790 4.525 ( -3.448 -0.000 0.000) 3.448 4.622 ( 4.092 0.000 0.000) 4.092 4.743 ( 7.659 0.000 0.000) 7.659 5.022 ( 13.955 0.000 0.000) 13.955 5.039 ( 7.169 0.000 0.000) 7.169 5.255 ( 6.483 0.000 0.000) 6.483 5.664 ( -5.782 -0.000 0.000) 5.782 5.786 ( -0.398 -0.000 0.000) 0.398 6.119 ( -6.685 -0.000 0.000) 6.685 6.383 ( -4.028 -0.000 0.000) 4.028 8.767 ( -14.843 -0.000 0.000) 14.843 8.865 ( -16.217 -0.000 0.000) 16.217 9.233 ( -3.103 -0.000 0.000) 3.103 9.353 ( 8.770 0.000 0.000) 8.770 9.369 ( 3.632 0.000 0.000) 3.632 9.598 ( -7.611 -0.000 0.000) 7.611 10.120 ( -3.000 -0.000 0.000) 3.000 10.388 ( -7.801 -0.000 0.000) 7.801 ======================= Grid point 33 (24/192) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 22.319 -1.314 0.000) 22.358 2.248 ( 20.401 -1.023 0.000) 20.426 2.648 ( 27.384 0.986 0.000) 27.402 2.700 ( 28.639 -1.611 0.000) 28.684 3.070 ( 9.107 -0.491 0.000) 9.120 3.355 ( 2.346 -0.137 0.000) 2.350 3.613 ( -2.186 -0.686 0.000) 2.291 3.678 ( -0.727 0.042 0.000) 0.728 3.772 ( 3.917 -1.823 0.000) 4.321 4.223 ( 7.532 -0.683 0.000) 7.563 4.344 ( -4.141 0.670 0.000) 4.195 4.354 ( -3.393 -0.501 0.000) 3.430 4.654 ( 15.626 0.894 0.000) 15.652 4.829 ( 13.390 -0.747 0.000) 13.410 4.963 ( 16.550 -0.340 0.000) 16.553 5.169 ( 7.696 0.959 0.000) 7.755 5.247 ( 8.849 -0.127 0.000) 8.850 5.427 ( 10.948 0.901 0.000) 10.985 5.585 ( -1.413 0.233 0.000) 1.432 5.772 ( -0.872 0.189 0.000) 0.893 6.011 ( -4.311 0.773 0.000) 4.379 6.333 ( -1.375 0.012 0.000) 1.375 8.459 ( -16.924 0.093 0.000) 16.925 8.529 ( -18.584 0.191 0.000) 18.585 9.153 ( -3.140 -0.203 0.000) 3.147 9.461 ( -4.992 0.671 0.000) 5.037 9.480 ( 4.267 -0.109 0.000) 4.269 9.500 ( 6.144 -0.515 0.000) 6.166 10.035 ( -5.533 -0.032 0.000) 5.533 10.227 ( -8.738 0.684 0.000) 8.764 ======================= Grid point 34 (25/192) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 21.162 -1.949 0.000) 21.251 2.637 ( 19.874 -2.041 0.000) 19.978 3.025 ( 11.504 2.680 0.000) 11.813 3.086 ( 8.476 -1.931 0.000) 8.693 3.257 ( 8.902 0.066 0.000) 8.903 3.385 ( -4.763 -1.828 0.000) 5.101 3.595 ( 8.605 0.332 0.000) 8.611 3.661 ( 1.818 -0.374 0.000) 1.856 3.938 ( 8.239 -1.211 0.000) 8.327 4.247 ( -3.965 0.883 0.000) 4.062 4.291 ( -0.912 -0.683 0.000) 1.139 4.315 ( 1.302 -3.048 0.000) 3.315 4.811 ( 4.378 2.101 0.000) 4.856 5.021 ( 6.028 -0.257 0.000) 6.033 5.156 ( 3.013 -0.642 0.000) 3.081 5.322 ( -0.112 2.130 0.000) 2.133 5.430 ( 15.444 0.066 0.000) 15.444 5.558 ( 5.555 1.416 0.000) 5.732 5.670 ( 6.357 -0.873 0.000) 6.417 5.768 ( 1.328 -0.349 0.000) 1.374 5.970 ( 1.389 1.160 0.000) 1.809 6.313 ( -1.228 0.651 0.000) 1.390 8.159 ( -13.804 0.196 0.000) 13.806 8.193 ( -15.908 0.196 0.000) 15.909 9.130 ( 0.334 -0.310 0.000) 0.456 9.371 ( -3.064 -0.108 0.000) 3.066 9.551 ( 2.265 0.331 0.000) 2.289 9.582 ( 2.030 -0.476 0.000) 2.085 9.934 ( -4.563 -0.127 0.000) 4.565 10.063 ( -7.595 1.063 0.000) 7.669 ======================= Grid point 35 (26/192) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 14.672 -1.575 0.000) 14.756 3.007 ( 16.399 -1.451 0.000) 16.463 3.087 ( -2.301 0.079 0.000) 2.303 3.173 ( 1.604 0.235 0.000) 1.622 3.260 ( -1.656 -1.796 0.000) 2.443 3.299 ( -4.846 -3.083 0.000) 5.744 3.714 ( 4.425 5.945 0.000) 7.411 3.773 ( 1.609 2.483 0.000) 2.959 4.051 ( 5.523 -1.095 0.000) 5.630 4.223 ( 0.125 -0.142 0.000) 0.189 4.300 ( 0.798 0.096 0.000) 0.803 4.410 ( 6.441 -5.453 0.000) 8.439 4.831 ( -0.521 1.891 0.000) 1.961 5.058 ( -0.623 2.844 0.000) 2.911 5.197 ( 0.296 -2.979 0.000) 2.994 5.265 ( -3.299 1.361 0.000) 3.569 5.572 ( 1.610 0.326 0.000) 1.643 5.647 ( 2.690 0.016 0.000) 2.690 5.736 ( 0.884 -1.389 0.000) 1.646 5.850 ( 5.150 0.086 0.000) 5.151 6.018 ( 2.147 0.865 0.000) 2.315 6.258 ( -3.971 1.059 0.000) 4.110 7.960 ( -6.804 0.365 0.000) 6.813 7.978 ( -5.419 -0.169 0.000) 5.421 9.153 ( 1.473 0.032 0.000) 1.473 9.353 ( 0.669 -0.546 0.000) 0.864 9.567 ( 0.220 0.375 0.000) 0.434 9.586 ( -1.353 -0.350 0.000) 1.398 9.881 ( -1.128 -0.119 0.000) 1.134 9.945 ( -3.871 0.894 0.000) 3.973 ======================= Grid point 36 (27/192) ======================= q-point: (-0.60 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -10.423 -1.234 0.000) 10.496 3.011 ( -4.363 -0.330 0.000) 4.376 3.067 ( -10.712 -0.939 0.000) 10.753 3.212 ( 4.596 1.384 0.000) 4.800 3.356 ( 6.379 -0.097 0.000) 6.379 3.427 ( 11.651 -1.728 0.000) 11.779 3.637 ( -7.594 -0.823 0.000) 7.638 3.743 ( 3.215 9.964 0.000) 10.469 4.152 ( -0.164 0.644 0.000) 0.664 4.191 ( 0.431 0.323 0.000) 0.539 4.313 ( -0.642 -0.359 0.000) 0.736 4.542 ( 3.676 -1.462 0.000) 3.956 4.784 ( -3.235 0.025 0.000) 3.235 4.991 ( -4.122 2.208 0.000) 4.676 5.191 ( -3.395 -3.659 0.000) 4.991 5.205 ( -2.878 -1.136 0.000) 3.094 5.563 ( -2.320 0.027 0.000) 2.320 5.646 ( -2.841 0.185 0.000) 2.847 5.738 ( -2.325 -1.936 0.000) 3.025 5.879 ( -1.808 0.816 0.000) 1.984 5.983 ( -5.681 1.003 0.000) 5.769 6.185 ( -2.322 -1.335 0.000) 2.678 7.942 ( 5.120 -0.210 0.000) 5.124 7.983 ( 5.696 0.025 0.000) 5.696 9.171 ( 0.727 0.663 0.000) 0.984 9.374 ( 0.467 -0.074 0.000) 0.473 9.546 ( -1.391 -0.336 0.000) 1.432 9.597 ( 1.971 0.099 0.000) 1.974 9.888 ( 1.883 -0.274 0.000) 1.903 9.909 ( 0.391 0.305 0.000) 0.496 ======================= Grid point 37 (28/192) ======================= q-point: (-0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -15.550 2.338 0.000) 15.724 2.820 ( -13.876 2.452 0.000) 14.091 2.873 ( -11.776 -2.247 0.000) 11.989 3.213 ( -8.017 2.221 0.000) 8.319 3.304 ( -6.642 1.603 0.000) 6.832 3.419 ( -7.240 -1.187 0.000) 7.337 3.684 ( 7.510 1.950 0.000) 7.759 3.839 ( 9.196 8.270 0.000) 12.367 4.044 ( -5.205 2.337 0.000) 5.706 4.235 ( 1.104 0.186 0.000) 1.120 4.292 ( -0.362 0.164 0.000) 0.397 4.575 ( 1.436 3.824 0.000) 4.084 4.725 ( -3.571 -1.592 0.000) 3.910 4.893 ( -5.954 -3.041 0.000) 6.685 5.124 ( -6.193 -3.593 0.000) 7.160 5.154 ( -4.555 -2.425 0.000) 5.160 5.441 ( -12.977 1.583 0.000) 13.074 5.518 ( -9.603 -0.075 0.000) 9.604 5.670 ( -4.956 -2.550 0.000) 5.573 5.815 ( -9.312 -2.534 0.000) 9.650 5.848 ( 0.175 3.258 0.000) 3.263 6.200 ( 1.383 -3.752 0.000) 3.998 8.135 ( 14.125 -0.512 0.000) 14.134 8.178 ( 14.211 -0.222 0.000) 14.213 9.182 ( 1.380 1.490 0.000) 2.031 9.376 ( 0.609 -0.100 0.000) 0.617 9.519 ( -2.737 -0.835 0.000) 2.861 9.612 ( -1.084 0.401 0.000) 1.156 9.952 ( 4.059 0.094 0.000) 4.060 9.970 ( 6.261 -1.073 0.000) 6.353 ======================= Grid point 38 (29/192) ======================= q-point: (-0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -24.621 2.982 0.000) 24.801 2.508 ( -16.438 5.889 0.000) 17.461 2.619 ( -14.780 1.472 0.000) 14.853 2.844 ( -23.743 2.345 0.000) 23.859 3.190 ( -5.214 3.528 0.000) 6.296 3.372 ( 0.189 0.221 0.000) 0.291 3.739 ( 0.333 3.249 0.000) 3.266 3.780 ( -8.270 3.502 0.000) 8.981 4.032 ( 3.088 5.741 0.000) 6.519 4.230 ( -4.404 0.287 0.000) 4.413 4.297 ( 1.237 -1.073 0.000) 1.637 4.546 ( -2.705 6.763 0.000) 7.284 4.626 ( -7.012 1.416 0.000) 7.154 4.815 ( -10.084 -4.782 0.000) 11.161 4.984 ( -14.415 -4.851 0.000) 15.210 5.031 ( -8.705 -6.120 0.000) 10.641 5.116 ( -10.189 4.476 0.000) 11.129 5.326 ( -10.727 -0.692 0.000) 10.749 5.615 ( -2.078 -1.942 0.000) 2.844 5.698 ( -2.878 -1.829 0.000) 3.410 5.895 ( 4.930 -0.350 0.000) 4.943 6.268 ( 3.228 -3.594 0.000) 4.831 8.441 ( 16.965 -0.455 0.000) 16.971 8.491 ( 17.680 -0.957 0.000) 17.706 9.213 ( 3.338 2.114 0.000) 3.951 9.409 ( -0.080 -0.839 0.000) 0.843 9.454 ( -2.073 -1.319 0.000) 2.457 9.545 ( -5.361 0.598 0.000) 5.394 10.041 ( 4.763 0.012 0.000) 4.763 10.114 ( 7.247 -2.110 0.000) 7.548 ======================= Grid point 39 (30/192) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -28.775 1.524 0.000) 28.815 2.103 ( -21.208 9.058 0.000) 23.062 2.308 ( -14.399 8.458 0.000) 16.700 2.409 ( -17.943 4.958 0.000) 18.616 3.067 ( -5.331 4.848 0.000) 7.206 3.360 ( -1.939 1.782 0.000) 2.633 3.580 ( -9.873 1.426 0.000) 9.976 3.698 ( -3.223 1.811 0.000) 3.697 3.945 ( -16.733 2.056 0.000) 16.859 3.999 ( -18.579 2.174 0.000) 18.706 4.165 ( -16.070 0.608 0.000) 16.082 4.395 ( -8.026 0.194 0.000) 8.029 4.502 ( -8.364 1.878 0.000) 8.573 4.565 ( -2.717 3.909 0.000) 4.760 4.698 ( -14.538 -4.745 0.000) 15.293 4.952 ( -8.691 -2.406 0.000) 9.018 5.079 ( -0.523 -0.211 0.000) 0.564 5.195 ( 1.541 -1.123 0.000) 1.907 5.601 ( -1.401 -3.316 0.000) 3.600 5.742 ( 6.409 0.832 0.000) 6.463 6.024 ( 7.752 -1.802 0.000) 7.958 6.371 ( 5.860 -2.158 0.000) 6.244 8.752 ( 14.950 -0.462 0.000) 14.957 8.824 ( 16.062 -1.383 0.000) 16.121 9.249 ( -3.044 0.538 0.000) 3.091 9.342 ( 0.002 0.215 0.000) 0.215 9.405 ( -6.572 0.775 0.000) 6.617 9.549 ( 6.337 -1.819 0.000) 6.593 10.111 ( 2.205 -0.310 0.000) 2.227 10.251 ( 5.041 -3.534 0.000) 6.156 ======================= Grid point 40 (31/192) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -23.469 4.014 0.000) 23.810 1.655 ( -16.628 13.519 0.000) 21.431 2.003 ( -11.053 8.147 0.000) 13.731 2.100 ( -10.770 7.898 0.000) 13.356 2.873 ( -14.147 8.797 0.000) 16.660 3.244 ( -11.007 5.415 0.000) 12.267 3.262 ( -32.907 3.845 0.000) 33.131 3.371 ( -21.528 -0.371 0.000) 21.531 3.601 ( -4.831 0.685 0.000) 4.879 3.686 ( -10.623 -1.014 0.000) 10.671 3.906 ( -12.505 0.197 0.000) 12.507 4.258 ( -6.632 1.731 0.000) 6.854 4.347 ( -11.209 -3.553 0.000) 11.759 4.463 ( -15.035 -5.718 0.000) 16.085 4.532 ( 0.141 0.511 0.000) 0.530 4.827 ( -5.610 -3.380 0.000) 6.549 5.059 ( 3.451 4.483 0.000) 5.657 5.314 ( 7.841 4.331 0.000) 8.958 5.610 ( -0.132 -3.844 0.000) 3.846 5.880 ( 7.905 1.650 0.000) 8.075 6.208 ( 10.710 -1.269 0.000) 10.785 6.519 ( 8.837 -0.318 0.000) 8.843 8.949 ( 1.616 -0.341 0.000) 1.651 9.065 ( 1.286 -1.435 0.000) 1.927 9.150 ( 2.906 -0.371 0.000) 2.929 9.247 ( -2.815 0.585 0.000) 2.875 9.488 ( 9.596 0.754 0.000) 9.626 9.694 ( 7.318 -1.877 0.000) 7.555 10.121 ( -1.620 -0.662 0.000) 1.750 10.342 ( 1.135 -5.680 0.000) 5.793 ======================= Grid point 41 (32/192) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -10.136 11.055 0.000) 14.998 1.306 ( -9.478 22.171 0.000) 24.112 1.813 ( -4.900 6.445 0.000) 8.096 1.916 ( -5.858 1.907 0.000) 6.161 2.334 ( -32.331 8.545 0.000) 33.441 2.417 ( -40.833 11.741 0.000) 42.487 3.072 ( -6.207 7.249 0.000) 9.543 3.168 ( -3.621 -1.723 0.000) 4.010 3.467 ( -10.429 0.461 0.000) 10.439 3.585 ( -3.628 -0.591 0.000) 3.676 3.693 ( -8.846 -2.353 0.000) 9.153 4.078 ( -13.211 -3.264 0.000) 13.609 4.138 ( -13.426 -2.768 0.000) 13.708 4.207 ( -12.359 -3.263 0.000) 12.783 4.569 ( 2.319 -3.346 0.000) 4.071 4.798 ( -0.237 -3.465 0.000) 3.473 5.134 ( 7.043 5.475 0.000) 8.921 5.402 ( 6.150 9.395 0.000) 11.229 5.643 ( 0.847 -3.887 0.000) 3.978 5.997 ( 5.455 1.306 0.000) 5.609 6.445 ( 14.176 1.261 0.000) 14.232 6.705 ( 11.775 2.537 0.000) 12.045 8.820 ( -10.485 -0.549 0.000) 10.499 8.910 ( -11.324 0.182 0.000) 11.326 9.318 ( 8.152 -0.328 0.000) 8.159 9.343 ( 8.930 -0.033 0.000) 8.930 9.662 ( 8.056 -0.006 0.000) 8.056 9.835 ( 6.122 -1.579 0.000) 6.323 10.062 ( -4.648 -0.588 0.000) 4.685 10.357 ( -5.108 -8.991 0.000) 10.340 ======================= Grid point 42 (33/192) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.996 17.844 0.000) 17.872 0.958 ( -13.843 22.313 0.000) 26.258 1.466 ( -29.254 17.915 0.000) 34.304 1.562 ( -30.872 12.901 0.000) 33.459 1.737 ( -2.402 7.915 0.000) 8.271 2.129 ( 3.811 -5.466 0.000) 6.663 2.933 ( -2.474 9.662 0.000) 9.973 3.178 ( 1.773 0.011 0.000) 1.773 3.269 ( -7.627 -0.695 0.000) 7.659 3.446 ( -9.690 -1.276 0.000) 9.774 3.653 ( 0.088 -2.727 0.000) 2.729 3.828 ( -15.309 -6.484 0.000) 16.625 3.870 ( -14.306 -2.579 0.000) 14.536 4.101 ( -1.782 -0.025 0.000) 1.782 4.639 ( 1.911 -4.544 0.000) 4.930 4.839 ( 1.402 -4.204 0.000) 4.432 5.238 ( 7.295 5.278 0.000) 9.004 5.424 ( 3.395 11.709 0.000) 12.192 5.689 ( 1.245 -4.005 0.000) 4.194 6.074 ( 3.223 -0.081 0.000) 3.224 6.687 ( 10.247 2.180 0.000) 10.476 6.999 ( 28.304 9.620 0.000) 29.894 8.643 ( -7.861 -0.796 0.000) 7.902 8.708 ( -8.717 0.681 0.000) 8.744 9.439 ( 4.406 -0.052 0.000) 4.407 9.505 ( 7.965 0.276 0.000) 7.970 9.751 ( 0.013 -0.692 0.000) 0.693 9.932 ( 2.304 -1.500 0.000) 2.749 9.983 ( -2.610 0.129 0.000) 2.613 10.221 ( -18.793 -13.013 0.000) 22.859 ======================= Grid point 43 (34/192) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.000 20.801 0.000) 20.801 0.585 ( 0.000 20.807 0.000) 20.807 0.996 ( 0.000 37.119 0.000) 37.119 1.137 ( 0.000 9.607 0.000) 9.607 1.691 ( 0.000 4.711 0.000) 4.711 2.231 ( -0.000 -7.758 0.000) 7.758 2.848 ( 0.000 10.812 0.000) 10.812 3.144 ( -0.000 -0.370 0.000) 0.370 3.274 ( 0.000 1.248 0.000) 1.248 3.306 ( -0.000 -1.984 0.000) 1.984 3.675 ( -0.000 -2.737 0.000) 2.737 3.681 ( -0.000 -1.419 0.000) 1.419 3.713 ( -0.000 -2.059 0.000) 2.059 4.095 ( -0.000 -0.091 0.000) 0.091 4.688 ( -0.000 -4.594 0.000) 4.594 4.886 ( -0.000 -5.020 0.000) 5.020 5.300 ( 0.000 3.707 0.000) 3.707 5.381 ( 0.000 11.016 0.000) 11.016 5.732 ( -0.000 -4.118 0.000) 4.118 6.116 ( -0.000 -2.071 0.000) 2.071 6.764 ( 0.000 2.480 0.000) 2.480 7.594 ( -0.000 -5.127 0.000) 5.127 8.559 ( -0.000 -1.175 0.000) 1.175 8.612 ( 0.000 0.739 0.000) 0.739 9.481 ( 0.000 0.104 0.000) 0.104 9.647 ( -0.000 -1.102 0.000) 1.102 9.684 ( -0.000 -0.513 0.000) 0.513 9.761 ( 0.000 1.915 0.000) 1.915 9.983 ( -0.000 -0.377 0.000) 0.377 10.005 ( -0.000 -0.863 0.000) 0.863 ======================= Grid point 48 (35/192) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 21.429 0.000 0.000) 21.429 2.623 ( 19.963 0.000 0.000) 19.963 3.050 ( 12.269 0.000 0.000) 12.269 3.066 ( 8.074 0.000 0.000) 8.074 3.258 ( 8.869 0.000 0.000) 8.869 3.372 ( -6.176 -0.000 0.000) 6.176 3.598 ( 10.857 0.000 0.000) 10.857 3.659 ( 2.451 0.000 0.000) 2.451 3.929 ( 8.484 0.000 0.000) 8.484 4.261 ( -3.461 -0.000 0.000) 3.461 4.271 ( -2.651 -0.000 0.000) 2.651 4.302 ( 1.614 0.000 0.000) 1.614 4.826 ( 4.237 0.000 0.000) 4.237 5.019 ( 7.219 0.000 0.000) 7.219 5.152 ( 2.167 0.000 0.000) 2.167 5.336 ( 0.035 0.000 0.000) 0.035 5.431 ( 15.520 0.000 0.000) 15.520 5.569 ( 4.692 0.000 0.000) 4.692 5.664 ( 6.438 0.000 0.000) 6.438 5.765 ( 1.304 0.000 0.000) 1.304 5.977 ( 1.171 0.000 0.000) 1.171 6.317 ( -1.042 -0.000 0.000) 1.042 8.160 ( -13.781 -0.000 0.000) 13.781 8.194 ( -16.009 -0.000 0.000) 16.009 9.128 ( 0.418 0.000 0.000) 0.418 9.370 ( -3.233 -0.000 0.000) 3.233 9.553 ( 2.215 0.000 0.000) 2.215 9.579 ( 2.143 0.000 0.000) 2.143 9.933 ( -4.559 -0.000 0.000) 4.559 10.070 ( -7.700 -0.000 0.000) 7.700 ======================= Grid point 49 (36/192) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 14.951 -0.698 0.000) 14.967 2.992 ( 17.860 -0.715 0.000) 17.874 3.088 ( -4.403 0.006 0.000) 4.403 3.176 ( 1.095 0.208 0.000) 1.115 3.244 ( -1.419 -0.689 0.000) 1.578 3.276 ( -2.815 -0.803 0.000) 2.928 3.768 ( 0.852 2.034 0.000) 2.205 3.800 ( 6.904 1.514 0.000) 7.068 4.042 ( 6.216 -0.292 0.000) 6.223 4.222 ( -0.280 0.071 0.000) 0.289 4.305 ( 0.127 0.623 0.000) 0.636 4.347 ( 7.514 -3.505 0.000) 8.292 4.852 ( -0.908 1.039 0.000) 1.380 5.096 ( 1.125 2.614 0.000) 2.845 5.157 ( -1.088 -2.838 0.000) 3.039 5.278 ( -4.895 0.504 0.000) 4.921 5.576 ( 1.426 0.210 0.000) 1.441 5.646 ( 2.567 -0.105 0.000) 2.569 5.723 ( 0.732 -0.467 0.000) 0.869 5.850 ( 5.387 -0.050 0.000) 5.387 6.026 ( 1.964 0.335 0.000) 1.992 6.268 ( -4.339 0.390 0.000) 4.357 7.964 ( -7.290 0.172 0.000) 7.292 7.976 ( -5.108 -0.100 0.000) 5.109 9.154 ( 1.760 0.034 0.000) 1.760 9.348 ( 0.653 -0.214 0.000) 0.687 9.571 ( 0.421 0.238 0.000) 0.483 9.582 ( -1.508 -0.239 0.000) 1.527 9.880 ( -1.084 -0.033 0.000) 1.085 9.953 ( -4.217 0.338 0.000) 4.231 ======================= Grid point 50 (37/192) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -9.500 -1.116 0.000) 9.565 3.010 ( -3.958 0.085 0.000) 3.959 3.055 ( -10.187 -0.781 0.000) 10.216 3.227 ( 5.934 0.823 0.000) 5.991 3.350 ( 5.772 -0.564 0.000) 5.799 3.416 ( 14.088 -0.285 0.000) 14.091 3.629 ( -10.187 -0.420 0.000) 10.196 3.859 ( 4.707 7.334 0.000) 8.715 4.156 ( 3.120 0.067 0.000) 3.120 4.195 ( -2.777 0.063 0.000) 2.777 4.307 ( 0.002 -0.464 0.000) 0.464 4.511 ( 5.837 -2.716 0.000) 6.438 4.791 ( -4.107 1.006 0.000) 4.229 5.037 ( -4.198 4.392 0.000) 6.075 5.142 ( -3.626 -3.531 0.000) 5.061 5.180 ( -5.145 -2.563 0.000) 5.748 5.564 ( -2.292 0.128 0.000) 2.295 5.647 ( -2.682 0.019 0.000) 2.682 5.718 ( -2.467 -1.095 0.000) 2.699 5.883 ( -2.334 -0.019 0.000) 2.334 6.001 ( -4.149 1.412 0.000) 4.383 6.170 ( -4.692 -0.982 0.000) 4.794 7.940 ( 4.882 -0.105 0.000) 4.883 7.983 ( 5.715 0.008 0.000) 5.715 9.179 ( 1.095 0.447 0.000) 1.182 9.372 ( 0.817 -0.145 0.000) 0.830 9.542 ( -1.759 -0.181 0.000) 1.769 9.598 ( 2.078 0.051 0.000) 2.079 9.885 ( 1.529 -0.166 0.000) 1.538 9.913 ( 0.287 0.271 0.000) 0.395 ======================= Grid point 51 (38/192) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -13.104 1.467 0.000) 13.185 2.839 ( -13.988 0.029 0.000) 13.988 2.854 ( -10.859 -0.220 0.000) 10.861 3.235 ( -9.606 1.288 0.000) 9.692 3.324 ( -3.153 1.371 0.000) 3.438 3.404 ( -7.481 -0.948 0.000) 7.540 3.703 ( 10.015 1.010 0.000) 10.066 3.953 ( 6.429 8.604 0.000) 10.741 4.074 ( -3.694 2.531 0.000) 4.478 4.231 ( 2.436 -1.219 0.000) 2.724 4.295 ( -0.558 0.240 0.000) 0.607 4.586 ( 1.012 -2.763 0.000) 2.942 4.717 ( -2.332 1.582 0.000) 2.818 4.893 ( -8.428 2.743 0.000) 8.863 5.068 ( -6.586 -4.819 0.000) 8.161 5.116 ( -5.342 -3.586 0.000) 6.434 5.462 ( -9.607 1.459 0.000) 9.717 5.519 ( -10.871 0.282 0.000) 10.874 5.638 ( -5.568 -2.194 0.000) 5.985 5.777 ( -8.936 -2.536 0.000) 9.289 5.904 ( -1.264 4.610 0.000) 4.781 6.148 ( 0.291 -4.135 0.000) 4.145 8.130 ( 14.107 -0.353 0.000) 14.111 8.175 ( 13.901 -0.136 0.000) 13.902 9.200 ( 1.963 1.228 0.000) 2.315 9.374 ( 0.078 -0.203 0.000) 0.217 9.509 ( -2.947 -0.660 0.000) 3.020 9.616 ( -0.963 0.244 0.000) 0.993 9.946 ( 4.358 -0.701 0.000) 4.414 9.966 ( 5.520 0.192 0.000) 5.524 ======================= Grid point 52 (39/192) ======================= q-point: (-0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -26.525 1.665 0.000) 26.577 2.569 ( -13.721 3.687 0.000) 14.208 2.647 ( -10.222 2.276 0.000) 10.472 2.872 ( -22.744 2.049 0.000) 22.836 3.233 ( -4.909 2.999 0.000) 5.753 3.373 ( 1.026 0.025 0.000) 1.026 3.778 ( -0.241 2.727 0.000) 2.737 3.825 ( -10.201 3.248 0.000) 10.706 4.099 ( 2.105 4.340 0.000) 4.824 4.245 ( -2.608 1.896 0.000) 3.224 4.286 ( -1.086 -0.172 0.000) 1.099 4.619 ( -6.740 3.388 0.000) 7.544 4.666 ( -0.956 5.429 0.000) 5.513 4.724 ( -4.116 -8.611 0.000) 9.544 4.921 ( -14.162 -4.846 0.000) 14.968 4.964 ( -12.463 -3.984 0.000) 13.084 5.185 ( -11.776 5.498 0.000) 12.996 5.317 ( -10.364 -0.811 0.000) 10.396 5.574 ( -3.380 -3.849 0.000) 5.123 5.672 ( -1.420 -2.261 0.000) 2.670 5.913 ( 4.294 3.046 0.000) 5.264 6.212 ( 3.201 -4.919 0.000) 5.869 8.435 ( 17.040 -0.355 0.000) 17.043 8.480 ( 17.229 -0.780 0.000) 17.246 9.241 ( 3.678 2.250 0.000) 4.312 9.399 ( 0.298 -0.696 0.000) 0.757 9.435 ( -3.229 -1.551 0.000) 3.582 9.551 ( -5.425 0.380 0.000) 5.439 10.039 ( 4.629 -0.306 0.000) 4.639 10.093 ( 6.710 -1.122 0.000) 6.803 ======================= Grid point 53 (40/192) ======================= q-point: (-0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -28.948 0.663 0.000) 28.956 2.207 ( -20.849 6.698 0.000) 21.898 2.428 ( -10.055 9.167 0.000) 13.607 2.474 ( -14.829 5.420 0.000) 15.789 3.122 ( -4.654 3.560 0.000) 5.859 3.380 ( -0.635 1.364 0.000) 1.505 3.600 ( -11.165 1.535 0.000) 11.270 3.718 ( -4.265 1.239 0.000) 4.441 3.964 ( -18.844 1.305 0.000) 18.889 4.035 ( -19.228 2.830 0.000) 19.436 4.156 ( -14.896 -1.690 0.000) 14.991 4.387 ( -8.678 -1.213 0.000) 8.762 4.536 ( -10.825 2.961 0.000) 11.223 4.624 ( -9.579 0.139 0.000) 9.580 4.649 ( -7.814 1.982 0.000) 8.062 4.899 ( -7.836 -5.549 0.000) 9.602 5.087 ( 3.747 1.819 0.000) 4.165 5.189 ( 1.031 -0.070 0.000) 1.033 5.552 ( -1.509 -3.933 0.000) 4.212 5.755 ( 7.905 0.679 0.000) 7.934 6.014 ( 7.422 0.409 0.000) 7.433 6.331 ( 6.349 -4.008 0.000) 7.508 8.747 ( 14.981 -0.336 0.000) 14.985 8.806 ( 15.842 -1.425 0.000) 15.906 9.255 ( -5.995 0.348 0.000) 6.005 9.348 ( 2.238 0.784 0.000) 2.372 9.415 ( -6.052 0.696 0.000) 6.092 9.523 ( 5.960 -2.134 0.000) 6.331 10.107 ( 1.917 -0.428 0.000) 1.965 10.211 ( 4.110 -2.651 0.000) 4.891 ======================= Grid point 54 (41/192) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -20.651 2.751 0.000) 20.833 1.799 ( -14.458 8.169 0.000) 16.606 2.137 ( -11.513 12.898 0.000) 17.289 2.221 ( -8.663 10.347 0.000) 13.495 2.981 ( -10.220 7.304 0.000) 12.561 3.293 ( -15.284 1.370 0.000) 15.345 3.303 ( -19.425 3.138 0.000) 19.676 3.392 ( -29.740 3.692 0.000) 29.968 3.599 ( -6.659 -1.304 0.000) 6.785 3.665 ( -10.944 -1.887 0.000) 11.106 3.901 ( -13.964 -0.975 0.000) 13.998 4.235 ( -11.661 -4.590 0.000) 12.532 4.341 ( -10.065 1.190 0.000) 10.136 4.395 ( -13.346 -3.913 0.000) 13.908 4.552 ( -3.497 2.047 0.000) 4.052 4.788 ( -4.060 -2.068 0.000) 4.556 5.111 ( 4.172 3.556 0.000) 5.482 5.365 ( 11.777 3.509 0.000) 12.288 5.565 ( 0.489 -2.886 0.000) 2.927 5.907 ( 8.271 2.526 0.000) 8.649 6.192 ( 11.415 -1.126 0.000) 11.470 6.502 ( 9.547 -2.245 0.000) 9.808 8.945 ( 1.670 -0.223 0.000) 1.685 9.044 ( 1.993 -1.890 0.000) 2.747 9.146 ( 2.919 -0.265 0.000) 2.931 9.253 ( -3.470 0.474 0.000) 3.502 9.500 ( 9.133 1.044 0.000) 9.192 9.668 ( 7.367 -2.129 0.000) 7.668 10.111 ( -1.871 -0.811 0.000) 2.039 10.273 ( -0.297 -4.748 0.000) 4.758 ======================= Grid point 55 (42/192) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -5.898 8.696 0.000) 10.507 1.575 ( -4.054 17.688 0.000) 18.146 1.868 ( -8.795 4.526 0.000) 9.891 2.007 ( -6.427 10.947 0.000) 12.695 2.451 ( -34.261 9.230 0.000) 35.482 2.574 ( -35.775 12.011 0.000) 37.737 3.129 ( -3.924 -1.814 0.000) 4.323 3.165 ( -3.959 4.441 0.000) 5.949 3.475 ( -10.692 0.847 0.000) 10.726 3.565 ( -2.256 -2.587 0.000) 3.433 3.659 ( -11.399 -2.744 0.000) 11.725 3.996 ( -16.671 -7.540 0.000) 18.297 4.103 ( -15.758 -3.649 0.000) 16.175 4.194 ( -8.283 0.131 0.000) 8.284 4.531 ( 0.713 -2.624 0.000) 2.719 4.772 ( 0.845 -0.269 0.000) 0.887 5.197 ( 6.875 4.296 0.000) 8.107 5.513 ( 7.148 6.652 0.000) 9.764 5.609 ( 2.814 -0.362 0.000) 2.837 6.018 ( 5.211 2.205 0.000) 5.658 6.452 ( 14.859 -0.348 0.000) 14.863 6.722 ( 13.460 0.043 0.000) 13.460 8.812 ( -10.657 -0.637 0.000) 10.676 8.910 ( -10.951 -0.162 0.000) 10.952 9.314 ( 8.414 -0.275 0.000) 8.418 9.341 ( 8.835 -0.326 0.000) 8.841 9.663 ( 7.547 0.098 0.000) 7.548 9.813 ( 6.255 -1.832 0.000) 6.518 10.053 ( -4.534 -0.955 0.000) 4.634 10.249 ( -6.782 -7.276 0.000) 9.947 ======================= Grid point 56 (43/192) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 2.853 14.198 0.000) 14.482 1.229 ( -19.690 19.566 0.000) 27.758 1.633 ( -22.082 9.648 0.000) 24.098 1.790 ( -12.963 18.132 0.000) 22.289 1.867 ( -8.836 11.317 0.000) 14.358 2.090 ( -2.326 1.620 0.000) 2.835 3.048 ( -1.293 7.460 0.000) 7.572 3.172 ( 2.986 -0.853 0.000) 3.105 3.260 ( -9.645 -0.444 0.000) 9.655 3.427 ( -10.794 -1.878 0.000) 10.956 3.610 ( 0.294 -3.842 0.000) 3.853 3.744 ( -13.237 -6.087 0.000) 14.569 3.835 ( -13.746 -3.011 0.000) 14.072 4.097 ( -2.494 -1.124 0.000) 2.736 4.581 ( 1.492 -4.425 0.000) 4.670 4.804 ( 1.736 -0.891 0.000) 1.951 5.296 ( 5.899 3.838 0.000) 7.038 5.565 ( 3.513 7.858 0.000) 8.607 5.656 ( 2.217 1.170 0.000) 2.507 6.080 ( 2.610 1.243 0.000) 2.891 6.699 ( 9.292 -0.295 0.000) 9.297 7.072 ( 26.121 1.853 0.000) 26.187 8.631 ( -8.214 -0.952 0.000) 8.269 8.714 ( -8.636 0.332 0.000) 8.642 9.438 ( 4.563 -0.043 0.000) 4.563 9.506 ( 7.986 -0.177 0.000) 7.988 9.742 ( -0.539 -0.769 0.000) 0.938 9.910 ( 1.515 -1.887 0.000) 2.419 9.983 ( -2.153 -0.181 0.000) 2.160 10.089 ( -15.080 -7.571 0.000) 16.874 ======================= Grid point 57 (44/192) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.000 19.625 0.000) 19.625 0.833 ( 0.000 17.326 0.000) 17.326 1.275 ( 0.000 11.361 0.000) 11.361 1.460 ( 0.000 34.097 0.000) 34.097 1.774 ( 0.000 8.094 0.000) 8.094 2.138 ( -0.000 -6.359 0.000) 6.359 2.988 ( 0.000 10.592 0.000) 10.592 3.138 ( -0.000 -0.596 0.000) 0.596 3.274 ( -0.000 -2.995 0.000) 2.995 3.279 ( -0.000 -0.657 0.000) 0.657 3.634 ( -0.000 -3.487 0.000) 3.487 3.657 ( -0.000 -2.289 0.000) 2.289 3.681 ( -0.000 -2.730 0.000) 2.730 4.089 ( -0.000 -1.117 0.000) 1.117 4.627 ( -0.000 -4.819 0.000) 4.819 4.834 ( -0.000 -2.586 0.000) 2.586 5.341 ( 0.000 2.820 0.000) 2.820 5.536 ( 0.000 11.637 0.000) 11.637 5.682 ( -0.000 -2.686 0.000) 2.686 6.101 ( -0.000 -0.061 0.000) 0.061 6.785 ( 0.000 0.552 0.000) 0.552 7.510 ( -0.000 -7.726 0.000) 7.726 8.544 ( -0.000 -1.113 0.000) 1.113 8.621 ( 0.000 0.572 0.000) 0.572 9.483 ( 0.000 0.089 0.000) 0.089 9.630 ( -0.000 -1.543 0.000) 1.543 9.679 ( -0.000 -0.224 0.000) 0.224 9.787 ( 0.000 1.974 0.000) 1.974 9.977 ( -0.000 -0.484 0.000) 0.484 9.991 ( -0.000 -1.225 0.000) 1.225 ======================= Grid point 64 (45/192) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( -9.143 -0.000 0.000) 9.143 3.010 ( -3.695 -0.000 0.000) 3.695 3.050 ( -9.986 -0.000 0.000) 9.986 3.232 ( 6.421 0.000 0.000) 6.421 3.346 ( 5.596 0.000 0.000) 5.596 3.415 ( 14.702 0.000 0.000) 14.702 3.626 ( -10.981 -0.000 0.000) 10.981 3.912 ( 5.480 0.000 0.000) 5.480 4.155 ( 3.649 0.000 0.000) 3.649 4.194 ( -3.751 -0.000 0.000) 3.751 4.303 ( 0.176 0.000 0.000) 0.176 4.490 ( 6.624 0.000 0.000) 6.624 4.800 ( -4.191 -0.000 0.000) 4.191 5.083 ( -4.462 -0.000 0.000) 4.462 5.108 ( -1.775 -0.000 0.000) 1.775 5.156 ( -7.745 -0.000 0.000) 7.745 5.565 ( -2.279 -0.000 0.000) 2.279 5.647 ( -2.599 -0.000 0.000) 2.599 5.711 ( -2.511 -0.000 0.000) 2.511 5.883 ( -2.657 -0.000 0.000) 2.657 6.011 ( -3.099 -0.000 0.000) 3.099 6.163 ( -5.891 -0.000 0.000) 5.891 7.939 ( 4.798 0.000 0.000) 4.798 7.983 ( 5.723 0.000 0.000) 5.723 9.182 ( 1.229 0.000 0.000) 1.229 9.371 ( 0.943 0.000 0.000) 0.943 9.541 ( -1.897 -0.000 0.000) 1.897 9.599 ( 2.117 0.000 0.000) 2.117 9.883 ( 1.395 0.000 0.000) 1.395 9.915 ( 0.259 0.000 0.000) 0.259 ======================= Grid point 65 (46/192) ======================= q-point: (-0.67 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -11.152 0.472 0.000) 11.162 2.832 ( -15.003 -0.363 0.000) 15.007 2.858 ( -10.016 0.252 0.000) 10.019 3.246 ( -10.426 0.402 0.000) 10.434 3.337 ( -0.490 0.568 0.000) 0.750 3.396 ( -8.238 -0.372 0.000) 8.246 3.711 ( 11.334 0.318 0.000) 11.339 4.035 ( -1.557 3.050 0.000) 3.425 4.123 ( 4.307 5.449 0.000) 6.946 4.196 ( 3.530 -4.223 0.000) 5.504 4.298 ( -0.454 0.107 0.000) 0.466 4.539 ( -3.233 -2.727 0.000) 4.230 4.749 ( 0.532 2.086 0.000) 2.153 4.946 ( -9.388 4.700 0.000) 10.499 5.007 ( -7.336 -4.301 0.000) 8.504 5.069 ( -4.981 -2.890 0.000) 5.759 5.475 ( -7.672 0.440 0.000) 7.685 5.524 ( -11.274 0.309 0.000) 11.278 5.618 ( -6.293 -0.847 0.000) 6.350 5.754 ( -9.648 -0.957 0.000) 9.696 5.956 ( -0.569 2.897 0.000) 2.952 6.100 ( -1.089 -2.687 0.000) 2.900 8.126 ( 14.081 -0.126 0.000) 14.082 8.174 ( 13.743 -0.046 0.000) 13.743 9.211 ( 2.371 0.492 0.000) 2.422 9.372 ( -0.259 -0.114 0.000) 0.283 9.503 ( -3.093 -0.251 0.000) 3.103 9.618 ( -0.907 0.082 0.000) 0.911 9.939 ( 4.448 -0.274 0.000) 4.456 9.968 ( 5.184 0.123 0.000) 5.186 ======================= Grid point 66 (47/192) ======================= q-point: (-0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -27.968 0.572 0.000) 27.974 2.610 ( -9.436 2.663 0.000) 9.805 2.666 ( -9.825 0.531 0.000) 9.840 2.896 ( -21.255 1.448 0.000) 21.304 3.265 ( -4.982 1.738 0.000) 5.276 3.373 ( 1.672 -0.100 0.000) 1.675 3.807 ( -0.692 1.649 0.000) 1.788 3.860 ( -11.238 1.911 0.000) 11.399 4.141 ( -0.173 2.236 0.000) 2.243 4.256 ( -1.894 -0.348 0.000) 1.925 4.319 ( -3.510 5.284 0.000) 6.344 4.579 ( 8.744 -9.160 0.000) 12.664 4.677 ( -16.640 2.280 0.000) 16.796 4.744 ( 0.344 5.481 0.000) 5.492 4.861 ( -13.586 -4.167 0.000) 14.210 4.923 ( -12.375 -2.683 0.000) 12.663 5.248 ( -12.018 3.903 0.000) 12.636 5.306 ( -10.162 -0.828 0.000) 10.195 5.529 ( -3.926 -2.769 0.000) 4.804 5.642 ( -0.688 -2.080 0.000) 2.191 5.967 ( 4.128 4.860 0.000) 6.376 6.144 ( 2.651 -5.469 0.000) 6.078 8.432 ( 17.145 -0.191 0.000) 17.146 8.472 ( 16.835 -0.442 0.000) 16.841 9.268 ( 4.272 1.715 0.000) 4.603 9.390 ( 1.463 -0.622 0.000) 1.589 9.417 ( -5.281 -1.086 0.000) 5.392 9.555 ( -5.467 0.182 0.000) 5.470 10.035 ( 4.680 -0.353 0.000) 4.693 10.084 ( 6.198 -0.348 0.000) 6.208 ======================= Grid point 67 (48/192) ======================= q-point: (-0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -28.953 0.125 0.000) 28.953 2.275 ( -22.121 3.888 0.000) 22.460 2.511 ( -6.034 4.002 0.000) 7.240 2.567 ( -10.358 7.844 0.000) 12.993 3.157 ( -5.221 1.740 0.000) 5.503 3.395 ( 0.435 0.838 0.000) 0.944 3.618 ( -12.646 1.193 0.000) 12.702 3.730 ( -5.327 0.616 0.000) 5.362 3.985 ( -17.967 1.862 0.000) 18.063 4.062 ( -24.754 1.020 0.000) 24.775 4.133 ( -12.195 -1.363 0.000) 12.271 4.368 ( -11.006 -1.453 0.000) 11.101 4.562 ( -13.452 0.111 0.000) 13.453 4.593 ( -12.363 -0.761 0.000) 12.386 4.723 ( -2.825 5.537 0.000) 6.216 4.825 ( -3.158 -5.156 0.000) 6.046 5.120 ( 2.815 2.787 0.000) 3.961 5.186 ( 0.967 -0.513 0.000) 1.095 5.508 ( -0.293 -2.609 0.000) 2.625 5.753 ( 9.494 -0.913 0.000) 9.538 6.040 ( 6.534 3.701 0.000) 7.509 6.268 ( 6.663 -5.639 0.000) 8.729 8.744 ( 15.093 -0.088 0.000) 15.093 8.789 ( 15.511 -1.192 0.000) 15.557 9.258 ( -8.000 0.116 0.000) 8.001 9.361 ( 2.850 1.080 0.000) 3.048 9.424 ( -4.795 0.751 0.000) 4.853 9.495 ( 5.646 -2.188 0.000) 6.056 10.101 ( 1.712 -0.466 0.000) 1.775 10.184 ( 3.390 -1.472 0.000) 3.696 ======================= Grid point 68 (49/192) ======================= q-point: (-0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -18.627 1.503 0.000) 18.688 1.872 ( -15.359 3.536 0.000) 15.761 2.324 ( -8.746 14.920 0.000) 17.295 2.356 ( -5.856 10.079 0.000) 11.657 3.046 ( -6.433 2.344 0.000) 6.847 3.307 ( -15.872 0.774 0.000) 15.890 3.333 ( -22.909 2.299 0.000) 23.024 3.452 ( -26.560 5.024 0.000) 27.031 3.564 ( -11.397 -3.708 0.000) 11.985 3.647 ( -8.300 -0.959 0.000) 8.356 3.881 ( -15.017 -2.087 0.000) 15.161 4.171 ( -14.430 -4.671 0.000) 15.167 4.321 ( -14.459 -2.966 0.000) 14.760 4.388 ( -9.712 1.021 0.000) 9.765 4.571 ( -7.800 0.738 0.000) 7.835 4.783 ( -0.278 1.239 0.000) 1.270 5.152 ( 4.574 2.650 0.000) 5.286 5.399 ( 13.635 1.541 0.000) 13.722 5.541 ( 2.832 -0.664 0.000) 2.909 5.942 ( 9.535 2.671 0.000) 9.902 6.182 ( 10.566 -0.090 0.000) 10.567 6.461 ( 10.158 -4.112 0.000) 10.959 8.945 ( 1.751 0.185 0.000) 1.761 9.017 ( 2.345 -2.136 0.000) 3.172 9.143 ( 2.974 -0.156 0.000) 2.978 9.259 ( -3.976 0.326 0.000) 3.989 9.515 ( 8.574 1.276 0.000) 8.669 9.640 ( 7.534 -2.147 0.000) 7.834 10.100 ( -2.217 -0.894 0.000) 2.391 10.222 ( -1.158 -3.090 0.000) 3.300 ======================= Grid point 69 (50/192) ======================= q-point: (-0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -2.806 5.900 0.000) 6.533 1.710 ( 0.374 3.546 0.000) 3.566 2.005 ( -15.478 16.312 0.000) 22.486 2.166 ( -5.688 13.089 0.000) 14.272 2.565 ( -36.133 8.068 0.000) 37.023 2.714 ( -29.076 8.954 0.000) 30.424 3.087 ( -2.877 -3.828 0.000) 4.788 3.219 ( -4.839 3.134 0.000) 5.765 3.489 ( -10.209 1.394 0.000) 10.304 3.521 ( -0.787 -3.777 0.000) 3.858 3.622 ( -13.188 -3.030 0.000) 13.532 3.903 ( -16.438 -6.303 0.000) 17.605 4.053 ( -15.872 -3.791 0.000) 16.318 4.179 ( -11.128 -2.821 0.000) 11.480 4.506 ( -0.269 -0.954 0.000) 0.991 4.790 ( 2.097 2.697 0.000) 3.416 5.246 ( 6.591 3.170 0.000) 7.313 5.541 ( 2.812 -0.574 0.000) 2.870 5.663 ( 10.363 6.810 0.000) 12.401 6.058 ( 5.473 4.018 0.000) 6.789 6.436 ( 14.254 -2.021 0.000) 14.396 6.705 ( 13.919 -2.593 0.000) 14.159 8.804 ( -10.898 -0.593 0.000) 10.914 8.906 ( -10.542 -0.471 0.000) 10.552 9.311 ( 8.707 -0.157 0.000) 8.708 9.335 ( 8.559 -0.559 0.000) 8.577 9.665 ( 6.917 0.207 0.000) 6.920 9.789 ( 6.472 -1.807 0.000) 6.719 10.037 ( -4.750 -1.435 0.000) 4.962 10.173 ( -6.884 -4.511 0.000) 8.230 ======================= Grid point 70 (51/192) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 4.051 10.219 0.000) 10.993 1.466 ( -23.869 16.960 0.000) 29.281 1.735 ( -12.855 5.566 0.000) 14.008 1.944 ( -11.939 1.633 0.000) 12.051 1.995 ( -2.618 14.699 0.000) 14.930 2.247 ( -9.767 19.786 0.000) 22.065 3.097 ( 0.649 -0.754 0.000) 0.995 3.167 ( 1.027 0.295 0.000) 1.069 3.272 ( -9.319 2.911 0.000) 9.763 3.394 ( -12.237 -3.172 0.000) 12.641 3.557 ( 0.686 -4.129 0.000) 4.186 3.674 ( -10.579 -4.673 0.000) 11.565 3.793 ( -13.183 -3.322 0.000) 13.595 4.059 ( -4.399 -5.210 0.000) 6.819 4.531 ( 1.037 -2.851 0.000) 3.034 4.817 ( 2.169 2.542 0.000) 3.342 5.339 ( 4.909 2.827 0.000) 5.665 5.584 ( 1.480 -1.037 0.000) 1.807 5.761 ( 5.660 10.945 0.000) 12.322 6.109 ( 2.655 3.426 0.000) 4.334 6.680 ( 8.673 -2.470 0.000) 9.017 7.056 ( 21.191 -3.846 0.000) 21.537 8.619 ( -8.479 -0.987 0.000) 8.536 8.717 ( -8.449 0.060 0.000) 8.449 9.438 ( 4.709 0.012 0.000) 4.709 9.500 ( 7.728 -0.686 0.000) 7.758 9.732 ( -1.114 -0.753 0.000) 1.345 9.886 ( 1.155 -1.697 0.000) 2.053 9.974 ( -1.779 -1.453 0.000) 2.298 10.022 ( -10.141 -2.867 0.000) 10.538 ======================= Grid point 71 (52/192) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 12.947 0.000) 12.947 1.059 ( 0.000 17.739 0.000) 17.739 1.422 ( 0.000 11.073 0.000) 11.073 1.849 ( 0.000 21.532 0.000) 21.532 1.901 ( 0.000 11.818 0.000) 11.818 2.094 ( 0.000 3.459 0.000) 3.459 3.117 ( 0.000 8.939 0.000) 8.939 3.129 ( -0.000 -0.843 0.000) 0.843 3.229 ( -0.000 -3.813 0.000) 3.813 3.254 ( -0.000 -3.080 0.000) 3.080 3.587 ( -0.000 -3.751 0.000) 3.751 3.623 ( -0.000 -2.973 0.000) 2.973 3.645 ( -0.000 -2.822 0.000) 2.822 4.056 ( -0.000 -4.411 0.000) 4.411 4.566 ( -0.000 -4.250 0.000) 4.250 4.827 ( 0.000 1.350 0.000) 1.350 5.374 ( 0.000 2.350 0.000) 2.350 5.607 ( -0.000 -0.831 0.000) 0.831 5.738 ( 0.000 11.409 0.000) 11.409 6.116 ( 0.000 2.323 0.000) 2.323 6.777 ( -0.000 -1.801 0.000) 1.801 7.394 ( -0.000 -10.126 0.000) 10.126 8.531 ( -0.000 -0.965 0.000) 0.965 8.627 ( 0.000 0.419 0.000) 0.419 9.484 ( 0.000 0.100 0.000) 0.100 9.608 ( -0.000 -1.792 0.000) 1.792 9.677 ( -0.000 -0.017 0.000) 0.017 9.811 ( 0.000 1.796 0.000) 1.796 9.968 ( -0.000 -1.235 0.000) 1.235 9.977 ( -0.000 -0.738 0.000) 0.738 ======================= Grid point 80 (53/192) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -28.438 -0.000 0.000) 28.438 2.631 ( -5.991 -0.000 0.000) 5.991 2.666 ( -11.870 -0.000 0.000) 11.870 2.906 ( -20.427 -0.000 0.000) 20.427 3.276 ( -5.103 -0.000 0.000) 5.103 3.372 ( 1.952 0.000 0.000) 1.952 3.818 ( -0.850 -0.000 0.000) 0.850 3.872 ( -11.456 -0.000 0.000) 11.456 4.156 ( -0.983 -0.000 0.000) 0.983 4.252 ( -2.954 -0.000 0.000) 2.954 4.379 ( -10.712 -0.000 0.000) 10.712 4.492 ( 17.177 0.000 0.000) 17.177 4.700 ( -17.783 -0.000 0.000) 17.783 4.784 ( 0.622 0.000 0.000) 0.622 4.829 ( -12.230 -0.000 0.000) 12.230 4.901 ( -12.050 -0.000 0.000) 12.050 5.278 ( -12.492 -0.000 0.000) 12.492 5.298 ( -9.787 -0.000 0.000) 9.787 5.510 ( -3.863 -0.000 0.000) 3.863 5.627 ( -0.666 -0.000 0.000) 0.666 6.014 ( 5.219 0.000 0.000) 5.219 6.093 ( 1.323 0.000 0.000) 1.323 8.431 ( 17.199 0.000 0.000) 17.199 8.469 ( 16.672 0.000 0.000) 16.672 9.280 ( 4.723 0.000 0.000) 4.723 9.385 ( 1.992 0.000 0.000) 1.992 9.410 ( -6.366 -0.000 0.000) 6.366 9.556 ( -5.480 -0.000 0.000) 5.480 10.032 ( 4.717 0.000 0.000) 4.717 10.082 ( 5.997 0.000 0.000) 5.997 ======================= Grid point 82 (54/192) ======================= q-point: (-0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -28.908 -0.014 0.000) 28.908 2.308 ( -23.379 1.250 0.000) 23.412 2.547 ( -3.192 1.440 0.000) 3.502 2.642 ( -7.201 3.224 0.000) 7.890 3.170 ( -6.261 0.399 0.000) 6.274 3.402 ( 1.113 0.264 0.000) 1.144 3.629 ( -13.861 0.497 0.000) 13.870 3.734 ( -6.112 0.142 0.000) 6.114 4.008 ( -18.011 1.334 0.000) 18.061 4.060 ( -23.611 -0.776 0.000) 23.624 4.126 ( -14.537 0.066 0.000) 14.537 4.353 ( -13.208 -0.683 0.000) 13.226 4.550 ( -14.507 -0.778 0.000) 14.528 4.600 ( -10.314 0.590 0.000) 10.331 4.758 ( -4.910 -0.718 0.000) 4.962 4.794 ( 1.527 0.924 0.000) 1.785 5.152 ( 2.245 2.049 0.000) 3.039 5.174 ( 0.447 -1.323 0.000) 1.396 5.488 ( 0.972 -0.605 0.000) 1.145 5.739 ( 10.500 -0.865 0.000) 10.536 6.104 ( 5.659 5.798 0.000) 8.101 6.189 ( 7.161 -6.313 0.000) 9.547 8.744 ( 15.283 0.051 0.000) 15.284 8.777 ( 15.170 -0.521 0.000) 15.179 9.259 ( -8.818 0.015 0.000) 8.818 9.372 ( 1.810 0.545 0.000) 1.891 9.434 ( -3.196 0.793 0.000) 3.293 9.470 ( 5.659 -1.445 0.000) 5.841 10.096 ( 1.610 -0.214 0.000) 1.624 10.172 ( 2.999 -0.441 0.000) 3.031 ======================= Grid point 83 (55/192) ======================= q-point: (-0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -17.432 0.612 0.000) 17.443 1.902 ( -16.485 1.370 0.000) 16.541 2.468 ( -3.040 6.726 0.000) 7.381 2.497 ( -4.944 10.710 0.000) 11.796 3.046 ( -7.004 -1.519 0.000) 7.166 3.294 ( -21.965 -2.245 0.000) 22.079 3.385 ( -18.227 4.981 0.000) 18.895 3.497 ( -18.277 -0.757 0.000) 18.293 3.530 ( -21.473 0.871 0.000) 21.491 3.637 ( -6.361 -0.538 0.000) 6.384 3.850 ( -15.923 -2.393 0.000) 16.101 4.123 ( -15.082 -2.544 0.000) 15.295 4.291 ( -14.928 -1.616 0.000) 15.015 4.391 ( -12.535 -0.413 0.000) 12.542 4.578 ( -8.240 0.496 0.000) 8.255 4.807 ( 1.336 1.800 0.000) 2.242 5.179 ( 4.691 1.494 0.000) 4.924 5.406 ( 12.979 -0.201 0.000) 12.981 5.547 ( 6.462 1.159 0.000) 6.565 5.967 ( 11.933 1.003 0.000) 11.975 6.196 ( 7.900 2.149 0.000) 8.187 6.402 ( 11.059 -4.591 0.000) 11.974 8.951 ( 1.818 0.835 0.000) 2.001 8.990 ( 2.455 -2.020 0.000) 3.179 9.142 ( 3.031 -0.068 0.000) 3.032 9.262 ( -4.295 0.164 0.000) 4.298 9.532 ( 7.953 1.191 0.000) 8.042 9.614 ( 7.873 -1.681 0.000) 8.050 10.089 ( -2.558 -0.651 0.000) 2.640 10.193 ( -1.507 -1.392 0.000) 2.052 ======================= Grid point 84 (56/192) ======================= q-point: (-0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -0.608 3.366 0.000) 3.421 1.724 ( -1.663 -0.131 0.000) 1.668 2.230 ( -17.349 16.779 0.000) 24.135 2.332 ( -4.489 11.982 0.000) 12.796 2.649 ( -37.334 4.445 0.000) 37.598 2.784 ( -21.266 1.237 0.000) 21.302 3.043 ( -3.459 -2.366 0.000) 4.191 3.248 ( -7.172 1.634 0.000) 7.356 3.477 ( 0.182 -2.775 0.000) 2.781 3.508 ( -9.872 1.020 0.000) 9.924 3.584 ( -12.163 -2.312 0.000) 12.380 3.837 ( -15.881 -3.870 0.000) 16.345 4.009 ( -15.830 -2.792 0.000) 16.074 4.125 ( -14.954 -4.935 0.000) 15.747 4.507 ( -0.452 0.852 0.000) 0.964 4.829 ( 2.473 2.720 0.000) 3.676 5.279 ( 6.318 2.039 0.000) 6.639 5.533 ( 2.950 -0.367 0.000) 2.973 5.745 ( 13.019 5.310 0.000) 14.060 6.119 ( 6.355 5.009 0.000) 8.092 6.404 ( 12.947 -2.565 0.000) 13.198 6.660 ( 13.604 -4.009 0.000) 14.183 8.798 ( -11.195 -0.408 0.000) 11.203 8.899 ( -10.094 -0.523 0.000) 10.107 9.310 ( 9.114 -0.007 0.000) 9.114 9.328 ( 8.055 -0.579 0.000) 8.075 9.668 ( 6.194 0.247 0.000) 6.199 9.768 ( 6.844 -1.389 0.000) 6.983 10.017 ( -5.219 -1.443 0.000) 5.415 10.131 ( -6.153 -2.023 0.000) 6.477 ======================= Grid point 85 (57/192) ======================= q-point: (-0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 4.891 6.786 0.000) 8.364 1.662 ( -26.548 12.735 0.000) 29.445 1.772 ( -0.022 1.001 0.000) 1.001 1.971 ( -23.875 2.837 0.000) 24.043 2.186 ( -2.118 14.604 0.000) 14.756 2.501 ( -4.902 17.314 0.000) 17.995 3.058 ( 1.935 -3.848 0.000) 4.307 3.162 ( -3.290 -1.063 0.000) 3.458 3.304 ( -8.485 -1.168 0.000) 8.565 3.374 ( -10.656 2.684 0.000) 10.989 3.508 ( 0.904 -3.304 0.000) 3.426 3.624 ( -8.636 -3.113 0.000) 9.180 3.751 ( -12.711 -3.032 0.000) 13.067 3.963 ( -6.620 -9.227 0.000) 11.356 4.512 ( 0.719 -0.254 0.000) 0.762 4.858 ( 2.343 3.286 0.000) 4.036 5.370 ( 4.263 1.974 0.000) 4.698 5.576 ( 1.545 -0.132 0.000) 1.551 5.893 ( 7.135 9.012 0.000) 11.494 6.169 ( 2.983 5.692 0.000) 6.426 6.640 ( 8.396 -3.433 0.000) 9.070 6.982 ( 16.341 -7.071 0.000) 17.805 8.607 ( -8.589 -0.821 0.000) 8.628 8.716 ( -8.156 -0.068 0.000) 8.157 9.438 ( 4.824 0.090 0.000) 4.825 9.489 ( 7.372 -0.899 0.000) 7.427 9.723 ( -1.428 -0.605 0.000) 1.551 9.868 ( 1.711 -1.052 0.000) 2.008 9.949 ( -2.129 -1.938 0.000) 2.879 10.004 ( -6.435 -0.476 0.000) 6.452 ======================= Grid point 86 (58/192) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.000 8.937 0.000) 8.937 1.271 ( 0.000 14.855 0.000) 14.855 1.554 ( 0.000 9.015 0.000) 9.015 1.911 ( -0.000 -3.266 0.000) 3.266 2.079 ( 0.000 14.083 0.000) 14.083 2.321 ( 0.000 23.757 0.000) 23.757 3.116 ( -0.000 -1.087 0.000) 1.087 3.170 ( -0.000 -3.577 0.000) 3.577 3.178 ( -0.000 -3.965 0.000) 3.965 3.250 ( 0.000 5.738 0.000) 5.738 3.539 ( -0.000 -3.455 0.000) 3.455 3.582 ( -0.000 -3.266 0.000) 3.266 3.611 ( -0.000 -2.318 0.000) 2.318 3.968 ( -0.000 -9.065 0.000) 9.065 4.527 ( -0.000 -1.720 0.000) 1.720 4.861 ( 0.000 3.377 0.000) 3.377 5.401 ( 0.000 1.821 0.000) 1.821 5.593 ( -0.000 -0.616 0.000) 0.616 5.893 ( 0.000 11.449 0.000) 11.449 6.162 ( 0.000 4.896 0.000) 4.896 6.742 ( -0.000 -3.291 0.000) 3.291 7.251 ( -0.000 -11.856 0.000) 11.856 8.520 ( -0.000 -0.744 0.000) 0.744 8.632 ( 0.000 0.283 0.000) 0.283 9.485 ( 0.000 0.160 0.000) 0.160 9.585 ( -0.000 -1.737 0.000) 1.737 9.678 ( 0.000 0.083 0.000) 0.083 9.832 ( 0.000 1.426 0.000) 1.426 9.948 ( -0.000 -1.529 0.000) 1.529 9.970 ( -0.000 -0.381 0.000) 0.381 ======================= Grid point 97 (59/192) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -17.038 -0.000 0.000) 17.038 1.910 ( -16.891 -0.000 0.000) 16.891 2.514 ( -1.609 -0.000 0.000) 1.609 2.572 ( -2.706 -0.000 0.000) 2.706 3.032 ( -8.348 -0.000 0.000) 8.348 3.274 ( -25.420 -0.000 0.000) 25.420 3.436 ( 0.033 0.000 0.000) 0.033 3.466 ( -33.344 -0.000 0.000) 33.344 3.548 ( -22.652 -0.000 0.000) 22.652 3.633 ( -5.614 -0.000 0.000) 5.614 3.832 ( -16.222 -0.000 0.000) 16.222 4.107 ( -15.108 -0.000 0.000) 15.108 4.280 ( -15.115 -0.000 0.000) 15.115 4.386 ( -13.964 -0.000 0.000) 13.964 4.582 ( -7.724 -0.000 0.000) 7.724 4.820 ( 1.453 0.000 0.000) 1.453 5.189 ( 4.707 0.000 0.000) 4.707 5.403 ( 12.626 0.000 0.000) 12.626 5.557 ( 7.887 0.000 0.000) 7.887 5.972 ( 13.134 0.000 0.000) 13.134 6.218 ( 5.775 0.000 0.000) 5.775 6.364 ( 12.231 0.000 0.000) 12.231 8.966 ( -1.444 -0.000 0.000) 1.444 8.968 ( 5.757 0.000 0.000) 5.757 9.141 ( 3.054 0.000 0.000) 3.054 9.263 ( -4.404 -0.000 0.000) 4.404 9.541 ( 7.541 0.000 0.000) 7.541 9.602 ( 8.182 0.000 0.000) 8.182 10.085 ( -2.701 -0.000 0.000) 2.701 10.184 ( -1.585 -0.000 0.000) 1.585 ======================= Grid point 99 (60/192) ======================= q-point: (-0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.613 1.096 0.000) 1.256 1.720 ( -3.089 -0.217 0.000) 3.096 2.411 ( -18.866 9.839 0.000) 21.278 2.452 ( -5.616 4.785 0.000) 7.379 2.680 ( -34.017 1.183 0.000) 34.038 2.753 ( -16.492 -4.215 0.000) 17.023 3.029 ( -5.067 -0.224 0.000) 5.072 3.265 ( -9.478 0.889 0.000) 9.519 3.453 ( 0.655 -0.871 0.000) 1.090 3.504 ( -13.982 -0.997 0.000) 14.018 3.577 ( -5.401 0.634 0.000) 5.438 3.802 ( -16.290 -1.495 0.000) 16.358 3.984 ( -15.940 -1.053 0.000) 15.975 4.072 ( -17.625 -2.464 0.000) 17.797 4.518 ( -0.580 0.613 0.000) 0.844 4.853 ( 2.471 1.008 0.000) 2.669 5.298 ( 6.147 0.723 0.000) 6.190 5.531 ( 3.482 -0.032 0.000) 3.483 5.794 ( 14.051 2.039 0.000) 14.198 6.173 ( 7.719 2.568 0.000) 8.135 6.378 ( 11.368 -1.160 0.000) 11.427 6.615 ( 13.247 -2.258 0.000) 13.438 8.794 ( -11.426 -0.142 0.000) 11.427 8.894 ( -9.761 -0.230 0.000) 9.764 9.310 ( 9.748 0.064 0.000) 9.749 9.322 ( 7.322 -0.289 0.000) 7.328 9.671 ( 5.606 0.123 0.000) 5.607 9.755 ( 7.237 -0.538 0.000) 7.257 10.004 ( -5.480 -0.586 0.000) 5.511 10.116 ( -5.623 -0.538 0.000) 5.649 ======================= Grid point 100 (61/192) ======================= q-point: (-0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 5.553 3.581 0.000) 6.607 1.736 ( -4.569 -0.305 0.000) 4.580 1.834 ( -19.909 7.885 0.000) 21.414 2.001 ( -28.140 1.284 0.000) 28.170 2.362 ( -2.151 11.774 0.000) 11.969 2.655 ( -0.380 5.450 0.000) 5.463 3.027 ( 2.353 -0.178 0.000) 2.360 3.147 ( -4.116 -0.985 0.000) 4.233 3.262 ( -10.861 -3.495 0.000) 11.410 3.437 ( -6.850 4.304 0.000) 8.090 3.481 ( 0.189 0.464 0.000) 0.501 3.588 ( -7.055 -2.740 0.000) 7.569 3.719 ( -12.338 -1.837 0.000) 12.474 3.837 ( -9.426 -9.072 0.000) 13.082 4.517 ( 0.485 0.692 0.000) 0.845 4.893 ( 2.361 1.937 0.000) 3.054 5.390 ( 3.890 1.065 0.000) 4.033 5.578 ( 1.746 0.370 0.000) 1.785 5.986 ( 8.011 5.024 0.000) 9.457 6.246 ( 3.400 5.333 0.000) 6.324 6.602 ( 8.981 -2.110 0.000) 9.226 6.888 ( 12.271 -6.656 0.000) 13.960 8.598 ( -8.590 -0.465 0.000) 8.602 8.715 ( -7.892 -0.070 0.000) 7.892 9.440 ( 4.887 0.112 0.000) 4.888 9.479 ( 7.125 -0.643 0.000) 7.154 9.717 ( -1.455 -0.334 0.000) 1.492 9.858 ( 2.435 -0.449 0.000) 2.476 9.930 ( -1.761 -1.045 0.000) 2.047 10.001 ( -5.331 -0.098 0.000) 5.332 ======================= Grid point 101 (62/192) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.000 5.605 0.000) 5.605 1.437 ( 0.000 10.504 0.000) 10.504 1.650 ( 0.000 5.550 0.000) 5.550 1.860 ( -0.000 -3.822 0.000) 3.822 2.262 ( 0.000 13.585 0.000) 13.585 2.587 ( 0.000 15.261 0.000) 15.261 3.101 ( -0.000 -1.368 0.000) 1.368 3.112 ( -0.000 -3.128 0.000) 3.128 3.132 ( -0.000 -2.758 0.000) 2.758 3.332 ( 0.000 5.687 0.000) 5.687 3.500 ( -0.000 -2.478 0.000) 2.478 3.543 ( -0.000 -2.445 0.000) 2.445 3.586 ( -0.000 -1.463 0.000) 1.463 3.829 ( -0.000 -11.869 0.000) 11.869 4.519 ( 0.000 0.303 0.000) 0.303 4.903 ( 0.000 2.777 0.000) 2.777 5.421 ( 0.000 1.219 0.000) 1.219 5.593 ( 0.000 0.367 0.000) 0.367 6.020 ( 0.000 7.798 0.000) 7.798 6.239 ( 0.000 6.464 0.000) 6.464 6.702 ( -0.000 -2.403 0.000) 2.403 7.095 ( -0.000 -11.816 0.000) 11.816 8.512 ( -0.000 -0.468 0.000) 0.468 8.634 ( 0.000 0.163 0.000) 0.163 9.488 ( 0.000 0.199 0.000) 0.199 9.564 ( -0.000 -1.305 0.000) 1.305 9.679 ( 0.000 0.090 0.000) 0.090 9.848 ( 0.000 0.913 0.000) 0.913 9.931 ( -0.000 -1.159 0.000) 1.159 9.966 ( -0.000 -0.257 0.000) 0.257 ======================= Grid point 114 (63/192) ======================= q-point: (-0.53 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 5.848 0.000 0.000) 5.848 1.730 ( -0.511 -0.000 0.000) 0.511 1.894 ( -24.472 -0.000 0.000) 24.472 2.006 ( -28.571 -0.000 0.000) 28.571 2.452 ( -2.410 -0.000 0.000) 2.410 2.671 ( 1.164 0.000 0.000) 1.164 3.036 ( 3.396 0.000 0.000) 3.396 3.141 ( -3.921 -0.000 0.000) 3.921 3.235 ( -11.276 -0.000 0.000) 11.276 3.450 ( -2.002 -0.000 0.000) 2.002 3.533 ( -9.367 -0.000 0.000) 9.367 3.545 ( -0.716 -0.000 0.000) 0.716 3.707 ( -12.059 -0.000 0.000) 12.059 3.767 ( -12.007 -0.000 0.000) 12.007 4.522 ( 0.399 0.000 0.000) 0.399 4.906 ( 2.357 0.000 0.000) 2.357 5.397 ( 3.766 0.000 0.000) 3.766 5.581 ( 1.837 0.000 0.000) 1.837 6.019 ( 8.298 0.000 0.000) 8.298 6.284 ( 3.438 0.000 0.000) 3.438 6.589 ( 9.959 0.000 0.000) 9.959 6.838 ( 10.213 0.000 0.000) 10.213 8.595 ( -8.575 -0.000 0.000) 8.575 8.715 ( -7.786 -0.000 0.000) 7.786 9.441 ( 4.896 0.000 0.000) 4.896 9.474 ( 7.052 0.000 0.000) 7.052 9.714 ( -1.423 -0.000 0.000) 1.423 9.856 ( 2.723 0.000 0.000) 2.723 9.923 ( -1.610 -0.000 0.000) 1.610 10.001 ( -5.095 -0.000 0.000) 5.095 ======================= Grid point 116 (64/192) ======================= q-point: (-0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.000 2.029 0.000) 2.029 1.534 ( 0.000 4.017 0.000) 4.017 1.696 ( 0.000 1.693 0.000) 1.693 1.823 ( -0.000 -1.590 0.000) 1.590 2.408 ( 0.000 7.362 0.000) 7.362 2.686 ( 0.000 1.277 0.000) 1.277 3.084 ( -0.000 -0.889 0.000) 0.889 3.110 ( -0.000 -0.737 0.000) 0.737 3.115 ( 0.000 2.356 0.000) 2.356 3.382 ( 0.000 1.640 0.000) 1.640 3.478 ( -0.000 -0.903 0.000) 0.903 3.536 ( 0.000 1.788 0.000) 1.788 3.574 ( -0.000 -0.493 0.000) 0.493 3.684 ( -0.000 -8.799 0.000) 8.799 4.526 ( 0.000 0.399 0.000) 0.399 4.927 ( 0.000 0.983 0.000) 0.983 5.432 ( 0.000 0.443 0.000) 0.443 5.598 ( 0.000 0.312 0.000) 0.312 6.090 ( 0.000 2.840 0.000) 2.840 6.307 ( 0.000 3.060 0.000) 3.060 6.691 ( 0.000 0.444 0.000) 0.444 6.967 ( -0.000 -6.482 0.000) 6.482 8.508 ( -0.000 -0.160 0.000) 0.160 8.636 ( 0.000 0.053 0.000) 0.053 9.490 ( 0.000 0.103 0.000) 0.103 9.552 ( -0.000 -0.499 0.000) 0.499 9.680 ( 0.000 0.037 0.000) 0.037 9.856 ( 0.000 0.314 0.000) 0.314 9.920 ( -0.000 -0.433 0.000) 0.433 9.964 ( -0.000 -0.094 0.000) 0.094 ======================= Grid point 231 (65/192) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 0.000 0.000 15.481) 15.481 0.432 ( 0.000 0.000 22.904) 22.904 0.705 ( 0.000 0.000 36.651) 36.651 0.944 ( 0.000 0.000 -5.706) 5.706 1.527 ( 0.000 0.000 -11.365) 11.365 2.270 ( 0.000 0.000 -12.804) 12.804 2.786 ( 0.000 0.000 6.616) 6.616 3.168 ( 0.000 0.000 1.962) 1.962 3.179 ( 0.000 0.000 -5.701) 5.701 3.315 ( 0.000 0.000 -1.688) 1.688 3.716 ( 0.000 0.000 0.293) 0.293 3.738 ( 0.000 0.000 -0.246) 0.246 4.038 ( 0.000 0.000 7.111) 7.111 4.440 ( 0.000 0.000 -4.954) 4.954 4.954 ( 0.000 0.000 2.679) 2.679 5.004 ( 0.000 0.000 -4.226) 4.226 5.010 ( 0.000 0.000 0.348) 0.348 5.178 ( 0.000 0.000 1.384) 1.384 5.831 ( 0.000 0.000 1.472) 1.472 6.011 ( 0.000 0.000 -4.406) 4.406 6.654 ( 0.000 0.000 5.423) 5.423 6.927 ( 0.000 0.000 -2.253) 2.253 8.589 ( 0.000 0.000 0.010) 0.010 8.589 ( 0.000 0.000 0.010) 0.010 9.591 ( 0.000 0.000 0.091) 0.091 9.596 ( 0.000 0.000 -0.041) 0.041 9.701 ( 0.000 0.000 0.272) 0.272 9.724 ( 0.000 0.000 -0.286) 0.286 9.975 ( 0.000 0.000 1.243) 1.243 10.078 ( 0.000 0.000 -1.277) 1.277 ======================= Grid point 232 (66/192) ======================= q-point: ( 0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 8.423 3.523 19.870) 21.868 0.658 ( 5.825 -13.644 23.017) 27.384 1.181 ( 47.230 -6.147 9.948) 48.656 1.339 ( 32.975 -2.427 -4.549) 33.375 1.530 ( 1.232 -1.023 -9.439) 9.574 2.196 ( -6.206 0.902 -8.965) 10.941 2.739 ( 1.069 -2.336 3.395) 4.257 3.106 ( -3.474 -0.726 -5.918) 6.900 3.281 ( 9.307 -0.113 1.563) 9.438 3.458 ( 9.769 0.694 -2.589) 10.130 3.774 ( 2.501 1.038 4.515) 5.265 3.863 ( 10.089 0.526 -1.600) 10.228 4.070 ( 6.454 3.117 7.138) 10.115 4.257 ( -2.798 4.338 4.738) 7.007 4.795 ( -4.509 3.516 4.947) 7.561 4.953 ( -2.095 2.168 -0.620) 3.078 5.000 ( -4.446 -6.409 -4.360) 8.936 5.168 ( -2.587 -3.970 -0.329) 4.750 5.801 ( -0.974 1.825 1.603) 2.617 5.982 ( -4.201 -2.585 -4.525) 6.694 6.605 ( -7.236 -3.739 4.185) 9.157 6.734 ( -8.835 -3.766 2.552) 9.937 8.672 ( 7.497 0.539 1.064) 7.591 8.690 ( 9.231 -0.548 0.237) 9.250 9.450 ( -5.201 0.049 1.036) 5.303 9.495 ( -7.365 -0.148 -0.168) 7.368 9.772 ( 0.062 0.195 0.970) 0.992 9.929 ( -1.680 0.328 -2.845) 3.320 9.997 ( 3.757 0.004 1.927) 4.222 10.394 ( 15.338 4.756 -16.405) 22.957 ======================= Grid point 233 (67/192) ======================= q-point: ( 0.13 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 18.601 -1.848 14.092) 23.409 0.924 ( 14.353 -13.898 12.428) 23.529 1.585 ( 6.315 -2.687 -6.859) 9.703 1.872 ( 8.862 -2.537 -7.712) 12.019 2.163 ( 43.822 -2.596 2.343) 43.961 2.237 ( 26.291 -3.635 1.373) 26.577 2.853 ( 7.546 -4.212 -2.292) 8.940 3.137 ( 7.776 -0.861 -5.766) 9.719 3.484 ( 10.643 -0.479 2.066) 10.852 3.628 ( 7.432 0.613 1.029) 7.528 3.780 ( 1.464 0.991 7.711) 7.911 4.030 ( 8.503 0.260 -1.097) 8.578 4.273 ( 14.557 3.110 1.996) 15.019 4.334 ( 10.023 2.075 0.188) 10.237 4.708 ( -2.645 4.606 2.894) 6.049 4.897 ( -2.180 1.231 -0.122) 2.506 4.944 ( -4.848 -5.492 -3.058) 7.938 5.148 ( -2.018 -3.765 -3.732) 5.672 5.768 ( -0.964 2.978 1.078) 3.310 5.905 ( -5.368 -2.697 -3.369) 6.887 6.456 ( -9.188 -0.557 3.955) 10.019 6.611 ( -7.529 -2.681 -0.450) 8.005 8.843 ( 10.012 0.213 1.214) 10.088 8.900 ( 11.584 -0.220 -0.271) 11.589 9.328 ( -7.718 0.203 0.253) 7.725 9.340 ( -8.943 -0.118 0.015) 8.944 9.683 ( -8.097 0.123 1.993) 8.340 9.846 ( -5.933 0.542 -1.962) 6.272 10.099 ( 5.358 0.378 2.991) 6.148 10.489 ( 1.237 4.407 -7.606) 8.877 ======================= Grid point 234 (68/192) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 27.174 -3.174 8.166) 28.552 1.367 ( 23.911 -8.979 4.075) 25.865 1.802 ( 14.238 -4.845 -2.709) 15.282 1.959 ( 6.588 -3.090 -3.935) 8.273 2.672 ( 18.123 -4.162 0.187) 18.595 3.013 ( 15.533 -2.261 -9.869) 18.541 3.138 ( 36.256 -5.172 3.752) 36.814 3.437 ( 21.263 -0.525 -0.546) 21.277 3.658 ( 7.420 -0.142 1.526) 7.577 3.710 ( 5.475 -0.302 6.405) 8.432 3.869 ( 5.661 -1.762 2.691) 6.511 4.205 ( 10.428 1.254 -0.454) 10.513 4.476 ( 8.319 2.948 -1.031) 8.886 4.524 ( 7.265 1.641 -2.011) 7.714 4.648 ( 0.887 3.409 4.360) 5.606 4.890 ( 2.568 -2.069 -0.348) 3.316 4.923 ( 0.987 -1.793 -0.539) 2.116 5.144 ( -0.098 -1.814 -6.261) 6.519 5.726 ( -1.441 2.882 1.019) 3.379 5.820 ( -4.962 -1.450 -1.806) 5.476 6.283 ( -8.609 1.045 3.780) 9.461 6.481 ( -7.223 -1.145 -1.652) 7.497 8.963 ( -1.937 0.111 0.796) 2.097 9.059 ( -1.602 0.228 -2.404) 2.898 9.185 ( -0.804 0.541 1.730) 1.983 9.230 ( 1.339 -0.391 -0.149) 1.403 9.505 ( -9.746 -0.074 3.041) 10.209 9.712 ( -7.450 0.848 -2.094) 7.785 10.159 ( 1.131 0.587 2.747) 3.028 10.437 ( -3.570 3.501 -4.082) 6.455 ======================= Grid point 235 (69/192) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 25.642 -4.033 4.392) 26.326 1.901 ( 25.210 -6.923 1.792) 26.204 2.158 ( 20.301 -2.714 -0.344) 20.485 2.253 ( 22.518 -4.303 -2.271) 23.038 2.943 ( 9.629 -3.478 0.360) 10.245 3.207 ( 7.253 -1.517 -8.138) 11.006 3.597 ( 5.245 -1.875 3.271) 6.460 3.674 ( 3.867 -1.615 1.275) 4.381 3.893 ( 4.218 -3.169 2.534) 5.853 3.996 ( 19.449 -1.681 1.321) 19.567 4.078 ( 25.715 -1.630 1.210) 25.795 4.377 ( 6.051 1.488 -0.411) 6.245 4.545 ( 0.365 0.963 2.656) 2.849 4.563 ( 6.478 0.549 1.998) 6.802 4.747 ( 9.010 -0.114 -2.316) 9.304 4.999 ( 6.511 1.691 -0.503) 6.746 5.036 ( 9.129 -2.050 -1.905) 9.548 5.175 ( 3.489 2.052 -5.972) 7.214 5.673 ( -2.587 1.176 2.103) 3.536 5.753 ( -1.416 1.788 -0.776) 2.409 6.125 ( -6.953 1.899 3.900) 8.195 6.368 ( -4.896 -0.068 -2.400) 5.453 8.766 ( -15.000 0.276 0.378) 15.007 8.835 ( -15.881 0.586 -1.727) 15.986 9.268 ( 0.190 0.115 2.724) 2.733 9.356 ( 6.262 -0.285 0.607) 6.298 9.383 ( 2.315 -0.161 0.708) 2.426 9.567 ( -6.878 0.796 -1.955) 7.195 10.136 ( -3.108 0.413 1.938) 3.686 10.320 ( -6.492 2.794 -2.540) 7.510 ======================= Grid point 236 (70/192) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 21.451 -5.299 2.330) 22.218 2.349 ( 18.389 -6.845 0.686) 19.634 2.621 ( 25.466 1.470 0.776) 25.520 2.764 ( 26.440 -1.934 -0.918) 26.526 3.118 ( 7.495 -2.179 1.086) 7.881 3.315 ( 4.427 -0.360 -4.660) 6.438 3.622 ( -2.636 -2.876 -1.031) 4.035 3.721 ( -1.374 -3.623 -0.886) 3.974 3.943 ( 2.654 -4.191 6.506) 8.181 4.227 ( 5.142 -0.883 -1.621) 5.463 4.351 ( -1.248 1.197 2.587) 3.111 4.397 ( -0.640 -2.328 0.047) 2.415 4.631 ( 9.677 0.547 1.415) 9.795 4.850 ( 14.409 -0.487 -0.622) 14.431 4.992 ( 17.596 -1.992 -0.531) 17.716 5.113 ( 7.559 3.771 0.425) 8.458 5.191 ( 5.907 3.937 -4.153) 8.224 5.263 ( 8.409 -0.080 -5.544) 10.072 5.657 ( 2.739 1.228 3.574) 4.668 5.747 ( 2.100 1.839 -0.446) 2.827 6.003 ( -4.367 2.184 4.786) 6.837 6.299 ( -2.275 0.973 -2.749) 3.699 8.455 ( -16.993 0.358 0.268) 16.999 8.504 ( -18.030 0.641 -1.095) 18.075 9.203 ( -3.421 -0.817 3.333) 4.846 9.418 ( -3.432 0.750 -2.100) 4.093 9.473 ( 5.131 0.450 0.328) 5.161 9.527 ( 4.476 -0.738 -0.044) 4.536 10.048 ( -5.569 0.063 1.142) 5.686 10.164 ( -7.941 2.303 -1.687) 8.439 ======================= Grid point 237 (71/192) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 18.712 -3.737 1.453) 19.137 2.719 ( 16.940 -4.437 -0.873) 17.533 2.974 ( 12.284 2.905 2.914) 12.954 3.143 ( 8.041 -2.016 -0.466) 8.303 3.273 ( 9.074 -1.061 0.809) 9.172 3.432 ( 6.508 -0.162 -0.544) 6.533 3.570 ( -3.419 -3.062 -2.957) 5.460 3.671 ( -4.128 -2.752 -2.660) 5.630 4.058 ( 5.290 -2.294 6.744) 8.873 4.248 ( -0.817 -0.162 1.122) 1.398 4.302 ( -1.251 0.250 1.304) 1.824 4.427 ( 1.469 -4.654 -1.559) 5.123 4.751 ( 4.055 1.359 -0.140) 4.279 4.979 ( 2.023 1.392 -3.394) 4.189 5.167 ( 4.328 1.756 -0.267) 4.678 5.207 ( 2.035 3.941 -1.206) 4.597 5.407 ( 14.269 -0.005 -1.700) 14.370 5.448 ( 8.130 -1.484 -4.905) 9.610 5.734 ( 5.783 1.653 2.125) 6.379 5.833 ( 7.345 0.407 2.223) 7.685 5.943 ( -0.307 1.752 5.062) 5.366 6.256 ( -1.560 1.962 -2.271) 3.383 8.151 ( -14.064 0.448 0.152) 14.072 8.179 ( -14.972 0.299 -0.568) 14.985 9.173 ( -0.501 -0.848 2.675) 2.850 9.357 ( -1.768 -0.136 -1.919) 2.613 9.545 ( 2.326 0.489 0.688) 2.474 9.595 ( 1.466 -0.539 -0.402) 1.613 9.945 ( -4.750 -0.221 0.479) 4.779 10.007 ( -6.668 1.868 -1.053) 7.004 ======================= Grid point 238 (72/192) ======================= q-point: ( 0.47 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 12.601 -0.388 0.694) 12.626 3.015 ( 9.844 -0.608 -1.259) 9.943 3.096 ( 4.168 0.744 1.688) 4.558 3.190 ( -0.547 -0.778 0.692) 1.176 3.327 ( -4.605 -2.490 0.619) 5.271 3.432 ( -7.539 -6.441 -2.562) 10.241 3.562 ( 2.935 3.845 1.898) 5.196 3.690 ( 3.114 2.141 -1.105) 3.937 4.143 ( 3.345 -2.098 3.951) 5.586 4.236 ( -2.575 1.330 2.837) 4.056 4.310 ( 2.211 -0.775 0.020) 2.343 4.498 ( 2.221 -2.420 -2.382) 4.058 4.789 ( 1.050 0.691 -0.409) 1.322 4.983 ( 0.180 1.069 -2.925) 3.119 5.211 ( 1.481 1.227 -2.204) 2.925 5.219 ( 0.698 0.553 -0.305) 0.941 5.536 ( 2.301 -0.306 -2.726) 3.580 5.556 ( 2.097 -0.108 -4.558) 5.018 5.854 ( 5.652 0.651 2.585) 6.249 5.905 ( -0.010 -0.419 6.348) 6.362 5.991 ( 4.088 0.781 0.985) 4.277 6.213 ( -1.446 1.300 -1.144) 2.256 7.951 ( -5.857 0.324 0.177) 5.869 7.977 ( -5.662 -0.068 -0.465) 5.682 9.180 ( 0.391 -0.325 2.448) 2.501 9.352 ( 0.440 -0.423 -1.755) 1.858 9.560 ( 0.256 0.345 0.350) 0.555 9.590 ( -1.532 -0.184 -0.378) 1.588 9.888 ( -1.479 -0.210 0.102) 1.497 9.912 ( -2.162 0.835 -0.533) 2.378 ======================= Grid point 247 (73/192) ======================= q-point: ( 0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 15.120 0.000 19.892) 24.986 0.805 ( 20.686 0.000 9.660) 22.830 1.567 ( 5.670 0.000 -6.437) 8.578 1.855 ( 10.570 0.000 -9.377) 14.130 2.146 ( 51.377 0.000 3.025) 51.466 2.214 ( 17.849 0.000 1.163) 17.887 2.824 ( 8.065 0.000 -1.985) 8.306 3.131 ( 7.997 0.000 -6.257) 10.154 3.480 ( 10.547 0.000 2.004) 10.736 3.632 ( 7.340 0.000 0.836) 7.387 3.786 ( 0.658 0.000 8.615) 8.640 4.032 ( 8.464 0.000 -0.390) 8.473 4.292 ( 14.806 0.000 3.184) 15.144 4.350 ( 8.833 0.000 -1.461) 8.953 4.748 ( -2.287 -0.000 3.176) 3.913 4.880 ( -5.333 -0.000 -3.964) 6.645 4.922 ( -2.122 -0.000 -0.852) 2.287 5.122 ( -1.000 -0.000 -2.248) 2.460 5.793 ( -0.589 -0.000 0.333) 0.676 5.881 ( -5.450 -0.000 -2.949) 6.197 6.453 ( -8.246 -0.000 3.758) 9.062 6.592 ( -6.629 -0.000 -0.115) 6.630 8.844 ( 9.918 0.000 1.212) 9.991 8.898 ( 11.698 0.000 -0.228) 11.701 9.329 ( -7.558 -0.000 0.234) 7.562 9.339 ( -9.026 -0.000 0.062) 9.026 9.684 ( -8.168 -0.000 2.039) 8.419 9.849 ( -5.906 -0.000 -1.997) 6.235 10.101 ( 5.434 0.000 3.148) 6.280 10.519 ( 0.181 0.000 -8.285) 8.287 ======================= Grid point 248 (74/192) ======================= q-point: ( 0.13 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 27.006 -1.188 8.695) 28.396 1.285 ( 27.504 -3.284 4.120) 28.004 1.757 ( 14.586 -1.818 -2.636) 14.934 1.934 ( 6.070 -0.875 -5.385) 8.162 2.636 ( 18.250 -1.390 1.201) 18.342 2.990 ( 15.752 -1.069 -8.103) 17.746 3.091 ( 38.356 -1.804 2.352) 38.471 3.432 ( 21.330 -0.201 -1.782) 21.405 3.657 ( 8.831 -0.044 0.018) 8.831 3.706 ( 3.531 -0.156 7.146) 7.972 3.853 ( 4.479 -0.633 4.897) 6.667 4.216 ( 10.952 0.414 0.731) 10.985 4.509 ( 7.447 1.776 -1.740) 7.851 4.535 ( 7.404 0.036 -2.628) 7.856 4.690 ( -2.057 2.629 3.210) 4.631 4.837 ( 1.796 -3.514 -0.903) 4.048 4.928 ( 3.779 0.620 -0.047) 3.830 5.128 ( 1.418 -0.698 -4.912) 5.160 5.763 ( -2.823 2.683 -0.196) 3.899 5.796 ( -2.980 -2.119 -1.031) 3.799 6.294 ( -8.203 0.478 3.458) 8.915 6.469 ( -6.471 -0.558 -1.368) 6.637 8.964 ( -1.920 0.029 0.769) 2.069 9.061 ( -1.331 0.063 -2.544) 2.872 9.191 ( -0.549 0.226 1.754) 1.851 9.226 ( 0.902 -0.178 -0.042) 0.920 9.505 ( -9.836 -0.016 3.202) 10.344 9.720 ( -7.476 0.292 -2.183) 7.794 10.165 ( 1.056 0.210 3.001) 3.188 10.469 ( -4.422 1.280 -4.488) 6.430 ======================= Grid point 249 (75/192) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 24.952 -2.653 3.003) 25.272 1.830 ( 25.679 -3.863 0.580) 25.974 2.142 ( 23.912 -0.015 0.211) 23.913 2.203 ( 22.904 -3.306 -1.125) 23.168 2.907 ( 10.742 -1.903 0.913) 10.947 3.190 ( 8.096 -0.942 -7.780) 11.268 3.574 ( 6.057 -1.395 2.657) 6.760 3.662 ( 3.180 -0.336 0.505) 3.238 3.858 ( 1.910 -2.114 2.945) 4.097 3.970 ( 18.654 -1.867 -1.379) 18.798 4.071 ( 29.164 0.074 5.275) 29.637 4.393 ( 4.602 0.829 0.903) 4.763 4.553 ( -1.812 0.466 3.494) 3.963 4.583 ( 6.707 1.810 -1.223) 7.053 4.735 ( 7.635 -1.308 -2.142) 8.037 4.995 ( 9.783 -1.561 -4.476) 10.871 5.039 ( 7.792 1.598 1.302) 8.060 5.192 ( 5.342 0.640 -5.128) 7.433 5.685 ( -3.071 0.748 2.231) 3.869 5.772 ( -0.553 1.077 -0.738) 1.417 6.145 ( -6.788 1.129 3.497) 7.719 6.365 ( -4.508 -0.248 -2.177) 5.012 8.769 ( -14.959 0.138 0.345) 14.963 8.841 ( -15.844 0.295 -1.926) 15.963 9.270 ( -0.961 0.132 3.096) 3.245 9.352 ( 7.898 -0.281 -0.074) 7.904 9.383 ( 1.797 -0.009 1.419) 2.290 9.575 ( -7.249 0.397 -2.110) 7.560 10.140 ( -3.309 0.236 2.211) 3.987 10.349 ( -7.063 1.590 -2.867) 7.787 ======================= Grid point 250 (76/192) ======================= q-point: ( 0.27 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 21.836 -3.863 1.222) 22.208 2.272 ( 19.573 -4.737 -0.778) 20.153 2.643 ( 27.378 1.904 1.480) 27.484 2.739 ( 27.545 -1.991 0.461) 27.621 3.095 ( 8.514 -1.326 1.386) 8.728 3.311 ( 5.228 -0.215 -4.657) 7.005 3.591 ( -3.854 -1.821 -1.429) 4.496 3.681 ( -1.946 -2.411 -1.604) 3.489 3.895 ( 3.696 -3.045 7.310) 8.738 4.209 ( 5.643 -1.712 -2.625) 6.455 4.366 ( -1.580 1.029 2.838) 3.407 4.382 ( -2.521 -0.340 1.637) 3.025 4.643 ( 11.688 1.149 0.987) 11.786 4.839 ( 13.512 -1.123 -0.590) 13.572 4.971 ( 17.615 -1.125 -0.179) 17.652 5.155 ( 8.045 2.668 0.446) 8.488 5.206 ( 10.170 -0.762 -6.042) 11.854 5.286 ( 4.637 2.604 -5.297) 7.507 5.673 ( 3.340 1.301 5.037) 6.182 5.765 ( 0.821 0.891 -0.194) 1.227 6.028 ( -4.518 1.616 3.987) 6.238 6.307 ( -1.814 0.294 -2.691) 3.259 8.459 ( -16.987 0.241 0.230) 16.990 8.511 ( -18.127 0.424 -1.264) 18.176 9.195 ( -3.511 -0.435 3.665) 5.094 9.427 ( -4.031 0.551 -2.484) 4.767 9.478 ( 5.385 0.404 0.403) 5.415 9.517 ( 4.376 -0.800 0.170) 4.452 10.049 ( -5.757 0.071 1.423) 5.931 10.191 ( -8.277 1.678 -2.025) 8.685 ======================= Grid point 251 (77/192) ======================= q-point: ( 0.33 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 20.340 -3.366 1.024) 20.642 2.663 ( 18.888 -3.882 -1.123) 19.316 3.012 ( 11.671 2.825 2.460) 12.258 3.119 ( 8.192 -1.781 0.306) 8.389 3.262 ( 8.366 -0.496 0.695) 8.409 3.417 ( -0.657 -1.999 0.039) 2.104 3.549 ( 5.038 -0.321 -3.396) 6.084 3.646 ( -0.387 -1.224 -2.574) 2.876 4.028 ( 6.447 -2.219 6.320) 9.296 4.244 ( -1.350 -0.481 0.066) 1.435 4.304 ( -1.317 -0.083 1.464) 1.971 4.375 ( 0.711 -3.242 0.333) 3.335 4.772 ( 4.059 1.925 -0.567) 4.528 4.988 ( 3.193 0.122 -4.071) 5.175 5.176 ( 3.493 -0.014 1.115) 3.667 5.265 ( 0.434 4.386 -1.646) 4.705 5.407 ( 12.905 -0.010 -2.417) 13.129 5.431 ( 9.617 -0.990 -5.400) 11.074 5.754 ( 4.892 1.477 2.757) 5.806 5.834 ( 6.598 -0.246 4.323) 7.893 5.966 ( -0.490 1.585 3.407) 3.789 6.277 ( -1.311 1.247 -2.487) 3.076 8.156 ( -13.982 0.336 0.084) 13.986 8.183 ( -15.329 0.273 -0.620) 15.344 9.164 ( -0.233 -0.530 2.879) 2.937 9.355 ( -2.304 -0.147 -1.904) 2.993 9.551 ( 2.240 0.374 0.520) 2.330 9.587 ( 1.684 -0.576 -0.273) 1.801 9.943 ( -4.814 -0.100 0.747) 4.873 10.030 ( -7.050 1.622 -1.397) 7.368 ======================= Grid point 252 (78/192) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 13.978 -1.281 0.925) 14.067 3.006 ( 12.673 -0.804 -1.418) 12.777 3.103 ( 1.876 0.357 1.635) 2.514 3.183 ( 0.228 -0.341 0.747) 0.852 3.292 ( -2.877 -2.609 0.410) 3.905 3.345 ( -5.406 -6.029 -1.433) 8.224 3.633 ( 3.493 6.160 0.647) 7.110 3.722 ( 2.393 2.678 -1.497) 3.891 4.118 ( 3.359 -1.676 4.517) 5.873 4.252 ( -0.750 0.865 3.152) 3.353 4.298 ( 1.747 -0.784 -0.515) 1.983 4.460 ( 4.734 -3.404 -1.605) 6.048 4.799 ( 0.174 0.905 -0.779) 1.207 4.997 ( -0.747 1.308 -3.841) 4.126 5.210 ( -0.135 -1.075 -1.347) 1.729 5.237 ( -0.673 1.760 -0.436) 1.934 5.530 ( 2.734 -0.546 -3.651) 4.594 5.557 ( 2.199 0.073 -3.876) 4.457 5.858 ( 4.658 0.125 2.963) 5.522 5.900 ( 0.306 -0.418 6.840) 6.860 6.004 ( 3.255 1.129 0.648) 3.505 6.230 ( -2.593 1.264 -1.396) 3.205 7.955 ( -6.230 0.347 0.090) 6.241 7.976 ( -5.630 -0.104 -0.413) 5.646 9.178 ( 0.896 -0.105 2.479) 2.638 9.346 ( 0.649 -0.530 -1.626) 1.829 9.564 ( 0.064 0.310 0.226) 0.389 9.587 ( -1.385 -0.265 -0.324) 1.447 9.885 ( -1.358 -0.131 0.251) 1.387 9.924 ( -2.969 0.985 -0.739) 3.214 ======================= Grid point 253 (79/192) ======================= q-point: (-0.53 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -10.910 -0.579 0.490) 10.936 3.022 ( -8.525 0.408 -0.759) 8.568 3.085 ( -5.642 -0.901 1.916) 6.026 3.203 ( 2.126 1.148 0.507) 2.469 3.352 ( 6.096 1.302 0.552) 6.258 3.454 ( 10.538 -2.505 -1.513) 10.937 3.583 ( -3.726 6.020 -0.103) 7.081 3.674 ( -3.468 0.402 -0.173) 3.495 4.167 ( -2.275 1.329 3.089) 4.060 4.225 ( 2.466 -0.093 3.203) 4.044 4.316 ( -1.431 0.223 0.306) 1.481 4.524 ( 0.642 1.563 -2.231) 2.799 4.780 ( -1.924 -0.776 -0.495) 2.133 4.969 ( -1.770 -0.817 -2.429) 3.115 5.190 ( -2.790 -2.088 -2.896) 4.531 5.211 ( -2.058 -0.804 -0.346) 2.236 5.537 ( -2.052 -0.032 -2.393) 3.153 5.560 ( -1.676 0.412 -4.436) 4.760 5.842 ( -5.885 -1.113 3.383) 6.879 5.908 ( -0.738 -0.130 3.898) 3.970 5.988 ( -4.597 0.434 2.090) 5.069 6.197 ( -0.169 -1.200 -0.854) 1.483 7.947 ( 5.507 -0.260 0.251) 5.519 7.978 ( 5.672 0.035 -0.503) 5.694 9.186 ( 0.119 0.525 2.370) 2.431 9.356 ( -0.104 0.198 -1.804) 1.818 9.555 ( -0.560 -0.360 0.454) 0.806 9.592 ( 1.666 0.107 -0.438) 1.726 9.890 ( 1.817 0.018 0.009) 1.817 9.904 ( 1.116 -0.259 -0.392) 1.211 ======================= Grid point 254 (80/192) ======================= q-point: (-0.47 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -16.490 3.392 1.975) 16.951 2.773 ( -14.432 3.845 -0.732) 14.953 2.938 ( -12.929 -2.663 3.325) 13.613 3.170 ( -8.653 2.012 -1.434) 8.999 3.289 ( -8.541 1.465 0.857) 8.708 3.425 ( -8.788 -1.117 -1.075) 8.924 3.621 ( 6.337 4.413 -2.023) 7.983 3.719 ( 7.684 4.761 -2.838) 9.475 4.087 ( -4.195 2.150 6.715) 8.204 4.251 ( 0.011 0.389 1.640) 1.686 4.300 ( 1.059 -0.071 1.004) 1.461 4.491 ( -0.751 5.047 -2.373) 5.627 4.736 ( -3.695 -1.039 -0.024) 3.839 4.947 ( -2.258 -3.643 -1.638) 4.588 5.130 ( -5.599 -3.312 -2.941) 7.139 5.169 ( -3.663 -2.603 -0.547) 4.527 5.412 ( -13.613 0.876 -1.266) 13.700 5.467 ( -7.575 1.414 -3.858) 8.617 5.710 ( -6.561 -1.959 1.593) 7.030 5.822 ( -8.441 -1.382 -0.380) 8.562 5.926 ( 0.012 -0.709 6.936) 6.972 6.226 ( 1.424 -2.681 -1.929) 3.597 8.145 ( 14.132 -0.486 0.248) 14.143 8.176 ( 14.572 -0.265 -0.525) 14.584 9.186 ( 0.857 1.126 2.394) 2.781 9.358 ( 1.182 0.056 -1.907) 2.244 9.538 ( -2.434 -0.621 0.876) 2.660 9.601 ( -1.287 0.407 -0.564) 1.463 9.949 ( 4.605 0.303 0.202) 4.620 9.984 ( 6.286 -1.654 -0.660) 6.533 ======================= Grid point 255 (81/192) ======================= q-point: (-0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -21.537 5.326 4.062) 22.555 2.443 ( -16.936 7.449 1.808) 18.590 2.607 ( -21.826 -0.479 -0.055) 21.831 2.789 ( -25.366 1.809 -2.381) 25.542 3.151 ( -6.496 2.844 0.618) 7.118 3.320 ( -3.438 0.446 -4.529) 5.704 3.665 ( 1.226 3.805 -0.500) 4.028 3.772 ( 0.308 4.190 0.120) 4.203 4.000 ( -1.486 4.513 5.219) 7.058 4.231 ( -4.831 -0.142 -0.481) 4.857 4.335 ( 1.238 -1.265 2.238) 2.853 4.445 ( -1.181 4.894 -1.663) 5.302 4.629 ( -8.148 0.303 1.653) 8.320 4.849 ( -13.576 -0.871 -0.466) 13.612 5.012 ( -19.474 0.002 -1.585) 19.539 5.060 ( -3.741 -4.576 -1.370) 6.067 5.127 ( -6.422 -3.793 -0.441) 7.472 5.277 ( -10.184 1.390 -4.550) 11.241 5.640 ( -2.050 -1.386 1.592) 2.942 5.718 ( -3.162 -2.541 -0.799) 4.134 5.975 ( 4.166 -1.964 5.583) 7.238 6.280 ( 2.729 -2.067 -2.716) 4.370 8.450 ( 16.996 -0.417 0.320) 17.004 8.495 ( 17.846 -0.768 -0.878) 17.884 9.216 ( 3.354 1.249 2.856) 4.579 9.408 ( 2.841 -0.821 -1.775) 3.450 9.466 ( -4.890 -0.637 0.403) 4.948 9.535 ( -4.727 0.522 -0.314) 4.766 10.047 ( 5.307 -0.050 0.827) 5.372 10.133 ( 7.510 -2.347 -1.262) 7.969 ======================= Grid point 256 (82/192) ======================= q-point: (-0.33 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -27.199 3.317 6.025) 28.055 2.004 ( -23.824 8.730 1.969) 25.450 2.214 ( -16.794 5.941 -0.381) 17.818 2.314 ( -20.126 5.124 -2.960) 20.978 2.995 ( -8.073 4.384 -0.407) 9.195 3.228 ( -6.311 1.735 -8.364) 10.621 3.620 ( -5.049 1.698 3.775) 6.529 3.704 ( -4.314 2.890 2.327) 5.690 3.934 ( -7.897 2.916 1.821) 8.613 4.007 ( -20.613 0.347 3.516) 20.914 4.115 ( -20.420 3.515 -2.060) 20.823 4.358 ( -9.046 -1.275 -1.971) 9.346 4.529 ( -2.274 -1.094 1.244) 2.814 4.575 ( -5.491 2.140 5.143) 7.822 4.732 ( -11.613 -2.421 -1.779) 11.995 4.975 ( -6.074 -1.665 0.118) 6.299 5.065 ( -7.161 1.773 -1.490) 7.526 5.142 ( -0.543 -2.513 -6.824) 7.293 5.654 ( 1.237 -1.932 1.712) 2.863 5.731 ( 3.348 -1.397 -1.063) 3.780 6.099 ( 7.250 -2.114 4.400) 8.741 6.364 ( 5.419 -0.742 -2.611) 6.061 8.762 ( 15.033 -0.390 0.426) 15.044 8.826 ( 15.903 -0.856 -1.429) 15.990 9.267 ( -1.844 0.013 2.258) 2.915 9.358 ( -3.785 0.090 1.336) 4.015 9.387 ( -3.220 0.439 -0.187) 3.255 9.554 ( 6.369 -1.199 -1.727) 6.707 10.130 ( 2.807 -0.506 1.572) 3.256 10.279 ( 5.669 -3.341 -2.066) 6.897 ======================= Grid point 257 (83/192) ======================= q-point: (-0.27 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -25.777 4.061 7.590) 27.177 1.507 ( -19.875 11.987 2.781) 23.376 1.879 ( -13.626 7.134 -2.332) 15.556 2.019 ( -7.301 6.213 -1.275) 9.672 2.742 ( -17.255 6.558 -1.371) 18.510 3.045 ( -14.979 2.750 -10.841) 18.694 3.215 ( -33.012 6.287 3.993) 33.842 3.446 ( -21.867 0.905 1.193) 21.918 3.661 ( -5.758 0.434 3.361) 6.681 3.712 ( -7.786 -0.062 5.123) 9.321 3.895 ( -8.081 1.885 0.705) 8.328 4.186 ( -9.282 -1.566 -2.880) 9.844 4.435 ( -10.387 -3.410 0.137) 10.933 4.499 ( -8.572 -2.153 -1.472) 8.960 4.606 ( -1.450 -2.787 6.099) 6.861 4.877 ( -4.744 -2.305 0.970) 5.363 4.980 ( 1.931 4.933 -1.657) 5.551 5.173 ( 2.873 2.574 -8.113) 8.983 5.691 ( 1.216 -2.544 2.471) 3.749 5.835 ( 6.383 1.031 -2.366) 6.885 6.269 ( 9.542 -1.143 4.155) 10.470 6.494 ( 8.196 0.761 -2.027) 8.477 8.961 ( 1.960 -0.229 0.841) 2.145 9.054 ( 2.048 -0.500 -2.130) 2.997 9.177 ( 1.096 -0.676 1.684) 2.120 9.235 ( -1.949 0.419 -0.369) 2.027 9.507 ( 9.562 0.197 2.736) 9.948 9.698 ( 7.411 -1.328 -1.932) 7.773 10.150 ( -1.281 -0.856 2.314) 2.780 10.382 ( 2.181 -4.837 -3.378) 6.290 ======================= Grid point 258 (84/192) ======================= q-point: (-0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -16.127 8.012 9.978) 20.587 1.132 ( -9.813 17.446 9.547) 22.176 1.635 ( -7.907 5.071 -7.217) 11.846 1.918 ( -5.318 4.336 -2.940) 7.465 2.214 ( -33.996 5.471 0.459) 34.437 2.309 ( -37.221 7.516 1.239) 37.992 2.924 ( -6.443 6.289 -3.027) 9.499 3.150 ( -7.333 1.001 -4.410) 8.615 3.491 ( -10.975 0.608 2.249) 11.220 3.618 ( -7.587 -0.890 1.204) 7.733 3.762 ( -3.358 -1.695 6.000) 7.082 4.024 ( -8.789 -0.707 -2.998) 9.314 4.213 ( -15.297 -5.929 0.622) 16.418 4.306 ( -10.546 -1.941 2.560) 11.024 4.649 ( 2.122 -4.419 3.625) 6.097 4.866 ( 1.126 -2.948 1.790) 3.628 5.026 ( 5.895 6.415 -3.241) 9.296 5.211 ( 3.831 5.569 -6.811) 9.596 5.732 ( 1.452 -2.225 2.962) 3.979 5.937 ( 5.443 2.128 -3.706) 6.920 6.469 ( 11.528 1.354 4.054) 12.295 6.652 ( 9.571 3.250 -1.143) 10.173 8.839 ( -10.218 -0.404 1.219) 10.299 8.903 ( -11.341 0.252 -0.389) 11.350 9.324 ( 7.972 -0.309 0.277) 7.983 9.342 ( 8.891 0.074 -0.087) 8.891 9.681 ( 7.903 -0.187 1.863) 8.122 9.836 ( 6.001 -1.038 -1.858) 6.367 10.092 ( -5.165 -0.713 2.568) 5.812 10.413 ( -3.553 -7.081 -5.944) 9.904 ======================= Grid point 259 (85/192) ======================= q-point: (-0.13 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -6.150 10.473 13.049) 17.826 0.862 ( -11.406 16.566 15.194) 25.207 1.320 ( -33.475 13.438 7.367) 36.816 1.403 ( -32.306 7.744 -3.578) 33.413 1.564 ( -4.441 5.061 -7.749) 10.266 2.177 ( 5.801 -1.625 -4.168) 7.325 2.796 ( -2.079 6.184 0.348) 6.534 3.120 ( 3.417 1.187 -5.799) 6.835 3.283 ( -9.392 0.102 1.365) 9.491 3.442 ( -10.305 -1.612 -2.220) 10.664 3.749 ( -2.275 -2.641 4.181) 5.444 3.850 ( -10.234 -1.444 -1.996) 10.526 3.992 ( -10.195 -8.008 6.765) 14.623 4.202 ( -1.108 -2.815 5.487) 6.266 4.729 ( 2.694 -6.054 3.595) 7.539 4.921 ( 2.083 -2.743 2.467) 4.237 5.099 ( 6.193 7.649 -5.517) 11.282 5.245 ( 4.237 6.990 -3.404) 8.855 5.772 ( 1.273 -2.079 2.828) 3.734 6.016 ( 4.331 1.957 -5.078) 6.954 6.669 ( 10.249 4.736 2.874) 11.650 6.830 ( 16.267 10.151 -0.553) 19.183 8.663 ( -7.987 -0.775 0.969) 8.083 8.699 ( -8.876 0.660 0.048) 8.901 9.449 ( 5.138 -0.118 0.981) 5.232 9.498 ( 7.581 0.303 -0.267) 7.592 9.768 ( -0.182 -0.505 0.962) 1.101 9.920 ( 1.165 -0.936 -2.890) 3.254 9.996 ( -3.543 -0.085 1.735) 3.946 10.293 ( -16.971 -9.566 -10.161) 21.972 ======================= Grid point 260 (86/192) ======================= q-point: (-0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 0.000 14.742 11.239) 18.537 0.428 ( 0.000 5.975 18.904) 19.825 0.909 ( 0.000 24.412 29.002) 37.909 0.984 ( 0.000 5.965 -5.458) 8.085 1.532 ( 0.000 1.027 -11.680) 11.725 2.260 ( -0.000 -1.614 -8.811) 8.958 2.778 ( 0.000 0.736 5.328) 5.378 3.167 ( -0.000 -0.244 1.915) 1.931 3.195 ( 0.000 1.678 -6.317) 6.537 3.309 ( -0.000 -0.889 -1.630) 1.856 3.706 ( -0.000 -1.506 0.319) 1.540 3.731 ( -0.000 -1.118 -0.288) 1.154 3.974 ( -0.000 -9.545 11.039) 14.593 4.277 ( -0.000 -13.005 7.043) 14.790 4.818 ( -0.000 -9.467 6.233) 11.334 4.962 ( -0.000 -2.345 1.752) 2.927 5.126 ( 0.000 7.240 -6.780) 9.919 5.268 ( 0.000 7.362 -2.438) 7.755 5.803 ( -0.000 -2.425 2.395) 3.408 6.058 ( 0.000 2.365 -7.139) 7.520 6.730 ( 0.000 6.205 1.969) 6.510 7.098 ( 0.000 20.320 -17.329) 26.706 8.577 ( -0.000 -0.968 0.270) 1.005 8.599 ( 0.000 0.695 -0.268) 0.745 9.550 ( -0.000 -2.952 2.489) 3.861 9.622 ( 0.000 1.103 -1.660) 1.993 9.696 ( -0.000 -0.503 0.464) 0.684 9.734 ( 0.000 1.310 -0.461) 1.389 9.977 ( 0.000 0.280 0.967) 1.007 10.063 ( -0.000 -1.829 0.114) 1.833 ======================= Grid point 263 (87/192) ======================= q-point: ( 0.13 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 24.858 0.000 2.569) 24.990 1.805 ( 25.710 0.000 -0.175) 25.711 2.148 ( 27.346 0.000 0.620) 27.354 2.175 ( 20.853 0.000 -0.699) 20.865 2.895 ( 11.140 0.000 1.113) 11.196 3.184 ( 8.452 0.000 -7.595) 11.363 3.565 ( 6.410 0.000 2.356) 6.829 3.661 ( 2.912 0.000 0.181) 2.917 3.843 ( 1.099 0.000 3.120) 3.308 3.957 ( 18.833 0.000 -1.964) 18.935 4.072 ( 29.899 0.000 6.469) 30.590 4.398 ( 4.377 0.000 1.334) 4.575 4.556 ( -2.994 -0.000 3.279) 4.440 4.597 ( 6.584 0.000 -2.127) 6.919 4.724 ( 7.457 0.000 -1.840) 7.681 4.983 ( 10.713 0.000 -4.731) 11.711 5.051 ( 7.582 0.000 1.246) 7.684 5.195 ( 5.955 0.000 -4.743) 7.613 5.691 ( -3.154 -0.000 2.213) 3.853 5.779 ( -0.314 -0.000 -0.742) 0.806 6.153 ( -6.751 -0.000 3.348) 7.536 6.363 ( -4.361 -0.000 -2.082) 4.832 8.770 ( -14.941 -0.000 0.334) 14.944 8.843 ( -15.827 -0.000 -1.996) 15.952 9.271 ( -1.406 -0.000 3.247) 3.538 9.350 ( 8.433 0.000 -0.309) 8.439 9.383 ( 1.700 0.000 1.640) 2.362 9.577 ( -7.385 -0.000 -2.166) 7.696 10.141 ( -3.378 -0.000 2.312) 4.094 10.359 ( -7.268 -0.000 -2.984) 7.857 ======================= Grid point 264 (88/192) ======================= q-point: ( 0.20 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 22.078 -1.405 0.803) 22.137 2.230 ( 20.250 -1.696 -1.894) 20.409 2.667 ( 27.939 1.425 1.895) 28.039 2.715 ( 28.561 -1.411 1.290) 28.625 3.084 ( 9.156 -0.441 1.531) 9.293 3.309 ( 5.690 -0.072 -4.594) 7.313 3.575 ( -4.555 -0.630 -1.656) 4.888 3.660 ( -2.245 -0.838 -2.030) 3.141 3.867 ( 4.322 -1.124 7.735) 8.932 4.191 ( 5.818 -0.792 -2.952) 6.572 4.376 ( -2.495 0.515 2.773) 3.766 4.381 ( -3.045 -0.040 2.541) 3.966 4.656 ( 13.416 0.705 0.581) 13.447 4.826 ( 12.317 -0.694 -0.474) 12.346 4.963 ( 18.068 -0.299 -0.075) 18.071 5.181 ( 7.954 1.224 -0.013) 8.048 5.194 ( 10.800 -0.807 -6.191) 12.474 5.310 ( 4.653 0.976 -5.266) 7.095 5.687 ( 3.845 0.645 5.643) 6.859 5.771 ( -0.219 0.200 -0.092) 0.310 6.042 ( -4.617 0.587 3.537) 5.846 6.308 ( -1.527 0.037 -2.632) 3.043 8.461 ( -16.981 0.085 0.212) 16.982 8.515 ( -18.165 0.148 -1.356) 18.216 9.191 ( -3.572 -0.133 3.835) 5.242 9.432 ( -4.374 0.203 -2.758) 5.175 9.483 ( 5.440 0.274 0.476) 5.467 9.508 ( 4.430 -0.451 0.317) 4.464 10.050 ( -5.853 0.032 1.588) 6.065 10.206 ( -8.461 0.614 -2.211) 8.767 ======================= Grid point 265 (89/192) ======================= q-point: ( 0.27 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 21.302 -2.043 0.799) 21.415 2.623 ( 20.019 -2.252 -1.387) 20.193 3.046 ( 10.992 2.412 1.965) 11.423 3.097 ( 8.816 -1.646 0.864) 9.009 3.259 ( 7.518 -0.050 0.544) 7.538 3.391 ( -5.485 -1.748 0.249) 5.762 3.552 ( 11.474 0.482 -3.304) 11.949 3.637 ( 2.347 -0.259 -2.427) 3.386 4.003 ( 7.130 -1.475 5.871) 9.353 4.234 ( -0.586 -0.884 -1.658) 1.968 4.299 ( -2.233 -0.589 1.895) 2.988 4.348 ( -0.799 -0.920 2.475) 2.758 4.797 ( 3.920 1.684 -1.142) 4.416 4.986 ( 4.649 -0.255 -4.148) 6.236 5.173 ( 2.785 -0.331 1.652) 3.255 5.311 ( -0.567 2.574 -1.494) 3.030 5.407 ( 10.767 0.031 -4.595) 11.707 5.422 ( 11.640 -0.605 -4.275) 12.415 5.772 ( 3.681 1.315 2.642) 4.718 5.827 ( 6.694 -0.717 6.034) 9.041 5.982 ( -0.665 0.891 2.528) 2.762 6.289 ( -0.964 0.594 -2.605) 2.840 8.159 ( -13.926 0.178 0.047) 13.927 8.186 ( -15.565 0.166 -0.664) 15.580 9.159 ( -0.067 -0.245 2.999) 3.009 9.353 ( -2.688 -0.093 -1.883) 3.283 9.555 ( 2.157 0.261 0.390) 2.207 9.581 ( 1.893 -0.429 -0.177) 1.949 9.942 ( -4.843 -0.025 0.943) 4.934 10.047 ( -7.319 0.943 -1.629) 7.557 ======================= Grid point 266 (90/192) ======================= q-point: ( 0.33 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 14.767 -1.445 1.132) 14.881 2.994 ( 16.047 -1.033 -1.150) 16.121 3.105 ( -0.907 -0.044 1.591) 1.832 3.181 ( -0.189 0.042 0.607) 0.637 3.262 ( -1.821 -1.922 0.181) 2.654 3.285 ( -3.948 -3.086 -1.228) 5.159 3.709 ( 4.398 5.155 -0.368) 6.786 3.756 ( 3.083 2.489 -1.525) 4.246 4.100 ( 3.793 -0.958 4.774) 6.172 4.252 ( 1.975 -0.798 2.548) 3.322 4.297 ( -0.210 0.676 -0.074) 0.712 4.410 ( 6.271 -4.305 -0.171) 7.608 4.813 ( -0.778 1.292 -1.468) 2.105 5.018 ( -0.351 1.847 -5.048) 5.386 5.190 ( -1.177 -1.899 -0.090) 2.236 5.257 ( -2.880 1.263 -0.749) 3.233 5.525 ( 3.282 -0.230 -4.448) 5.533 5.556 ( 2.075 -0.206 -3.161) 3.787 5.861 ( 3.623 0.340 3.746) 5.223 5.892 ( 0.648 -0.757 6.497) 6.573 6.018 ( 2.861 0.946 0.656) 3.084 6.244 ( -3.291 0.940 -1.590) 3.774 7.960 ( -6.622 0.305 0.004) 6.629 7.974 ( -5.516 -0.127 -0.355) 5.529 9.177 ( 1.316 0.024 2.472) 2.801 9.339 ( 0.727 -0.443 -1.477) 1.705 9.568 ( 0.005 0.287 0.102) 0.304 9.583 ( -1.290 -0.308 -0.266) 1.353 9.884 ( -1.323 -0.040 0.382) 1.378 9.936 ( -3.547 0.782 -0.921) 3.747 ======================= Grid point 267 (91/192) ======================= q-point: (-0.60 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -9.509 -1.178 0.511) 9.595 3.026 ( -8.219 0.253 -0.611) 8.246 3.073 ( -5.856 -0.893 2.541) 6.446 3.219 ( 3.719 1.200 0.299) 3.919 3.358 ( 6.348 -0.301 0.290) 6.362 3.422 ( 12.464 -1.764 -0.644) 12.604 3.629 ( -7.885 0.878 -0.368) 7.942 3.730 ( 0.845 7.274 -1.516) 7.478 4.175 ( 0.917 0.193 2.362) 2.541 4.235 ( -0.100 1.378 4.061) 4.290 4.315 ( -0.161 -0.332 0.529) 0.645 4.534 ( 3.709 -0.172 -1.064) 3.862 4.769 ( -3.208 -0.749 -1.133) 3.484 4.971 ( -2.985 1.423 -3.066) 4.510 5.156 ( -3.769 -3.115 -2.567) 5.522 5.197 ( -3.843 -1.518 -0.757) 4.201 5.539 ( -1.722 0.246 -2.297) 2.882 5.564 ( -1.258 0.055 -3.979) 4.173 5.828 ( -5.906 -0.872 4.406) 7.420 5.901 ( -2.340 -0.894 1.608) 2.976 6.002 ( -3.831 1.572 2.813) 5.006 6.182 ( -2.141 -1.084 -0.535) 2.459 7.944 ( 5.211 -0.177 0.305) 5.223 7.978 ( 5.679 0.013 -0.527) 5.703 9.193 ( 0.567 0.575 2.259) 2.400 9.357 ( 0.272 -0.013 -1.758) 1.779 9.551 ( -0.914 -0.305 0.520) 1.095 9.593 ( 1.767 0.053 -0.502) 1.838 9.888 ( 1.761 -0.214 0.048) 1.774 9.905 ( 0.566 0.264 -0.400) 0.741 ======================= Grid point 268 (92/192) ======================= q-point: (-0.53 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -13.788 2.588 2.348) 14.224 2.815 ( -12.006 2.540 -0.680) 12.291 2.907 ( -13.874 -2.059 3.749) 14.518 3.194 ( -9.793 1.658 -2.312) 10.198 3.309 ( -6.528 1.511 0.755) 6.743 3.409 ( -8.467 -1.209 -1.126) 8.627 3.673 ( 8.059 3.351 -0.667) 8.754 3.795 ( 8.291 6.714 -3.731) 11.302 4.114 ( -3.506 2.181 6.080) 7.350 4.257 ( 0.127 0.414 1.953) 2.001 4.302 ( 0.573 0.401 1.159) 1.354 4.554 ( 0.788 4.506 -2.361) 5.148 4.718 ( -2.988 -1.944 -0.145) 3.568 4.899 ( -4.861 -2.838 -0.195) 5.632 5.088 ( -6.197 -3.293 -4.031) 8.094 5.129 ( -5.272 -3.656 -1.389) 6.564 5.429 ( -11.322 1.782 -0.899) 11.497 5.483 ( -7.457 0.935 -2.812) 8.024 5.685 ( -7.493 -1.863 1.604) 7.886 5.797 ( -8.945 -2.405 -1.436) 9.373 5.929 ( -0.899 1.264 6.682) 6.859 6.187 ( 0.776 -3.293 -1.420) 3.669 8.139 ( 14.153 -0.432 0.352) 14.164 8.173 ( 14.219 -0.201 -0.496) 14.229 9.202 ( 1.281 1.234 2.069) 2.729 9.358 ( 0.625 -0.069 -1.856) 1.960 9.529 ( -2.570 -0.670 1.074) 2.865 9.605 ( -1.171 0.251 -0.750) 1.413 9.952 ( 4.294 0.013 -0.001) 4.294 9.966 ( 6.082 -0.879 -0.319) 6.153 ======================= Grid point 269 (93/192) ======================= q-point: (-0.47 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -23.069 3.992 5.764) 24.111 2.531 ( -16.145 5.553 2.286) 17.226 2.614 ( -15.323 1.679 -0.649) 15.428 2.812 ( -24.328 1.848 -3.450) 24.640 3.189 ( -5.817 3.034 0.020) 6.561 3.326 ( -2.412 0.385 -4.297) 4.942 3.719 ( -0.033 4.456 0.213) 4.461 3.826 ( -1.490 3.908 1.362) 4.398 4.057 ( -0.597 4.151 3.330) 5.355 4.231 ( -4.611 0.342 -0.055) 4.624 4.320 ( 0.575 -0.927 2.269) 2.518 4.516 ( -2.359 5.833 -2.951) 6.949 4.640 ( -6.729 1.504 1.688) 7.098 4.820 ( -9.603 -4.123 0.235) 10.453 4.971 ( -12.309 -5.462 -1.652) 13.567 4.990 ( -9.194 -5.379 -3.691) 11.274 5.136 ( -10.698 3.927 1.897) 11.553 5.293 ( -10.463 0.927 -3.018) 10.929 5.616 ( -1.960 -2.472 0.319) 3.171 5.685 ( -3.125 -2.338 -1.232) 4.093 5.956 ( 3.804 -0.746 5.651) 6.853 6.244 ( 2.977 -3.358 -2.506) 5.140 8.444 ( 17.011 -0.401 0.380) 17.020 8.485 ( 17.561 -0.778 -0.653) 17.590 9.235 ( 3.376 1.626 2.271) 4.382 9.397 ( 2.413 -0.857 -1.579) 3.008 9.456 ( -4.857 -0.854 0.697) 4.980 9.540 ( -5.034 0.287 -0.634) 5.082 10.046 ( 5.028 -0.128 0.571) 5.062 10.106 ( 7.041 -1.834 -0.852) 7.326 ======================= Grid point 270 (94/192) ======================= q-point: (-0.40 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -28.438 1.826 6.818) 29.301 2.115 ( -22.829 7.758 0.746) 24.123 2.312 ( -13.697 9.067 0.271) 16.428 2.385 ( -15.957 5.939 -2.262) 17.176 3.052 ( -6.558 4.322 -1.178) 7.942 3.251 ( -5.462 1.691 -8.405) 10.165 3.643 ( -5.896 1.903 4.281) 7.531 3.742 ( -4.574 2.733 3.434) 6.339 3.961 ( -13.549 1.011 0.849) 13.613 4.020 ( -17.736 1.941 3.263) 18.138 4.151 ( -17.771 1.574 -1.901) 17.941 4.347 ( -11.808 -0.481 -3.083) 12.213 4.525 ( -3.724 0.765 0.906) 3.908 4.613 ( -4.773 3.557 4.903) 7.712 4.688 ( -13.675 -4.034 -0.777) 14.279 4.948 ( -7.057 -3.151 -0.780) 7.768 5.070 ( -0.163 -0.439 -1.044) 1.144 5.131 ( -1.681 0.805 -5.535) 5.840 5.620 ( 0.181 -3.183 1.617) 3.575 5.722 ( 5.565 0.019 -1.848) 5.863 6.073 ( 7.464 -1.702 4.686) 8.976 6.346 ( 5.961 -2.123 -2.671) 6.868 8.757 ( 15.043 -0.424 0.474) 15.057 8.813 ( 15.858 -1.066 -1.078) 15.930 9.268 ( -3.913 0.121 1.804) 4.310 9.359 ( -1.644 0.054 1.422) 2.174 9.394 ( -3.437 0.644 -0.616) 3.550 9.536 ( 5.838 -1.583 -1.447) 6.220 10.123 ( 2.455 -0.543 1.212) 2.791 10.236 ( 4.752 -3.151 -1.544) 5.907 ======================= Grid point 271 (95/192) ======================= q-point: (-0.33 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -23.287 3.742 7.173) 24.652 1.657 ( -17.141 10.417 -0.579) 20.066 1.993 ( -12.399 10.877 0.085) 16.494 2.119 ( -7.600 9.128 1.147) 11.933 2.837 ( -15.197 7.840 -2.903) 17.345 3.082 ( -13.364 2.856 -11.104) 17.608 3.288 ( -30.204 4.559 3.357) 30.730 3.461 ( -23.949 1.490 2.359) 24.111 3.669 ( -4.604 0.765 4.569) 6.531 3.706 ( -9.671 -0.945 4.440) 10.683 3.910 ( -11.148 0.367 0.187) 11.156 4.168 ( -8.408 -1.214 -5.507) 10.124 4.389 ( -13.134 -3.539 0.717) 13.621 4.468 ( -10.173 -2.513 -0.723) 10.504 4.584 ( -0.972 -0.440 7.056) 7.136 4.841 ( -4.994 -3.028 1.482) 6.025 5.039 ( 2.863 4.145 -2.134) 5.471 5.209 ( 5.682 2.828 -9.377) 11.323 5.662 ( 2.276 -1.807 4.077) 5.007 5.850 ( 7.441 1.405 -2.750) 8.056 6.253 ( 10.574 -1.227 4.343) 11.497 6.497 ( 9.040 -0.463 -2.306) 9.341 8.958 ( 1.985 -0.319 0.882) 2.195 9.045 ( 2.495 -0.907 -1.731) 3.170 9.168 ( 1.353 -0.674 1.570) 2.180 9.240 ( -2.571 0.352 -0.652) 2.676 9.511 ( 9.281 0.402 2.316) 9.575 9.678 ( 7.385 -1.698 -1.713) 7.768 10.138 ( -1.500 -1.002 1.824) 2.565 10.317 ( 0.697 -5.048 -2.548) 5.697 ======================= Grid point 272 (96/192) ======================= q-point: (-0.27 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -11.461 9.702 7.381) 16.732 1.358 ( -6.435 16.668 3.275) 18.165 1.719 ( -9.931 8.244 -4.544) 13.683 1.985 ( -3.299 6.302 2.513) 7.544 2.303 ( -31.769 8.084 -1.567) 32.819 2.426 ( -38.133 10.202 0.097) 39.475 3.003 ( -5.252 5.312 -3.917) 8.435 3.161 ( -7.038 0.742 -2.706) 7.576 3.497 ( -11.582 0.204 2.307) 11.811 3.607 ( -7.676 -0.825 1.053) 7.792 3.734 ( -5.353 -2.620 4.961) 7.755 4.009 ( -9.772 -1.886 -4.789) 11.044 4.130 ( -16.521 -6.320 0.936) 17.714 4.287 ( -9.244 -1.009 3.080) 9.796 4.593 ( 0.362 -4.272 3.906) 5.800 4.828 ( 1.119 -2.576 2.910) 4.044 5.103 ( 6.335 5.418 -3.258) 8.950 5.283 ( 5.080 5.307 -9.806) 12.253 5.717 ( 2.686 0.101 5.470) 6.095 5.962 ( 5.514 1.987 -3.300) 6.727 6.485 ( 13.505 0.846 3.779) 14.050 6.687 ( 11.717 2.049 -1.826) 12.034 8.832 ( -10.441 -0.572 1.216) 10.527 8.905 ( -11.102 0.051 -0.553) 11.116 9.320 ( 8.212 -0.352 0.272) 8.224 9.342 ( 8.893 -0.113 -0.196) 8.896 9.678 ( 7.616 -0.167 1.669) 7.799 9.819 ( 6.090 -1.438 -1.696) 6.484 10.081 ( -4.939 -0.991 2.009) 5.423 10.316 ( -5.622 -7.524 -4.034) 10.222 ======================= Grid point 273 (97/192) ======================= q-point: (-0.20 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -2.450 15.973 6.119) 17.280 1.077 ( -17.296 16.680 9.420) 25.809 1.456 ( -18.141 7.875 -5.388) 20.497 1.545 ( -25.181 11.534 -3.948) 27.976 1.700 ( -13.249 17.115 3.925) 21.997 2.161 ( 4.710 -0.649 1.563) 5.004 2.888 ( -2.267 7.428 -2.687) 8.218 3.133 ( 2.877 0.620 -5.324) 6.083 3.282 ( -9.678 -0.358 1.168) 9.754 3.419 ( -10.986 -1.828 -2.304) 11.373 3.709 ( -2.290 -3.457 3.600) 5.491 3.825 ( -10.636 -2.447 -2.697) 11.242 3.891 ( -11.242 -7.120 6.817) 14.951 4.183 ( -2.007 -0.577 4.556) 5.011 4.646 ( 1.150 -6.680 2.464) 7.212 4.885 ( 2.279 -2.763 4.053) 5.409 5.187 ( 5.880 5.912 -5.331) 9.897 5.335 ( 4.381 6.436 -7.146) 10.568 5.758 ( 1.801 0.322 5.389) 5.692 6.035 ( 3.385 1.377 -3.868) 5.321 6.715 ( 9.980 2.337 2.903) 10.653 6.954 ( 22.275 7.712 -4.139) 23.933 8.652 ( -8.265 -0.864 0.928) 8.362 8.706 ( -8.846 0.389 -0.305) 8.859 9.447 ( 5.098 -0.149 0.892) 5.178 9.501 ( 7.770 0.155 -0.421) 7.783 9.760 ( -0.413 -0.649 0.980) 1.245 9.905 ( 0.408 -1.421 -2.846) 3.207 9.994 ( -3.277 -0.285 1.352) 3.556 10.173 ( -15.308 -8.475 -4.229) 18.001 ======================= Grid point 274 (98/192) ======================= q-point: (-0.13 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.000 17.564 7.047) 18.925 0.627 ( 0.000 18.320 7.257) 19.705 1.091 ( 0.000 10.098 -4.858) 11.206 1.248 ( 0.000 25.989 18.572) 31.943 1.567 ( 0.000 5.376 -9.901) 11.266 2.234 ( -0.000 -1.990 -1.293) 2.374 2.827 ( 0.000 6.279 -0.003) 6.279 3.162 ( -0.000 -0.512 1.773) 1.845 3.210 ( 0.000 0.625 -7.169) 7.196 3.292 ( -0.000 -1.811 -1.457) 2.325 3.679 ( -0.000 -2.698 0.372) 2.723 3.709 ( -0.000 -2.148 -0.388) 2.183 3.850 ( -0.000 -7.878 12.715) 14.958 4.188 ( -0.000 -2.953 5.529) 6.268 4.709 ( -0.000 -7.929 3.495) 8.665 4.928 ( -0.000 -2.787 3.970) 4.850 5.214 ( 0.000 6.013 -7.306) 9.462 5.350 ( 0.000 5.896 -3.872) 7.054 5.779 ( -0.000 -0.977 4.130) 4.244 6.067 ( 0.000 0.114 -4.918) 4.920 6.791 ( 0.000 3.466 2.961) 4.558 7.293 ( 0.000 8.490 -20.286) 21.991 8.564 ( -0.000 -1.016 0.503) 1.134 8.607 ( 0.000 0.529 -0.549) 0.763 9.522 ( -0.000 -1.514 2.717) 3.111 9.625 ( -0.000 -0.428 -1.684) 1.737 9.691 ( -0.000 -0.256 0.796) 0.836 9.754 ( 0.000 1.706 -0.748) 1.862 9.979 ( -0.000 -0.061 0.720) 0.723 10.038 ( -0.000 -1.875 1.083) 2.165 ======================= Grid point 279 (99/192) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 21.615 0.000 0.737) 21.627 2.608 ( 20.377 0.000 -1.501) 20.432 3.072 ( 11.996 0.000 1.903) 12.146 3.076 ( 7.835 0.000 0.911) 7.888 3.259 ( 7.236 0.000 0.455) 7.251 3.378 ( -6.830 -0.000 0.338) 6.839 3.556 ( 13.469 0.000 -3.222) 13.849 3.636 ( 3.422 0.000 -2.364) 4.159 3.993 ( 7.308 0.000 5.695) 9.265 4.227 ( -0.027 -0.000 -2.458) 2.458 4.294 ( -3.172 -0.000 2.518) 4.050 4.344 ( -1.200 -0.000 2.977) 3.209 4.809 ( 3.814 0.000 -1.440) 4.077 4.984 ( 5.366 0.000 -4.092) 6.748 5.170 ( 2.430 0.000 1.835) 3.045 5.328 ( -0.848 -0.000 -1.230) 1.494 5.409 ( 8.365 0.000 -7.920) 11.520 5.415 ( 13.966 0.000 -1.520) 14.048 5.783 ( 2.525 0.000 1.758) 3.077 5.821 ( 7.430 0.000 7.429) 10.507 5.988 ( -0.730 -0.000 2.262) 2.377 6.293 ( -0.809 -0.000 -2.642) 2.763 8.160 ( -13.908 -0.000 0.036) 13.908 8.187 ( -15.644 -0.000 -0.681) 15.659 9.158 ( -0.011 -0.000 3.037) 3.037 9.353 ( -2.828 -0.000 -1.874) 3.392 9.557 ( 2.104 0.000 0.336) 2.131 9.578 ( 1.997 0.000 -0.137) 2.001 9.942 ( -4.851 -0.000 1.014) 4.955 10.053 ( -7.415 -0.000 -1.711) 7.609 ======================= Grid point 280 (100/192) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 15.088 -0.631 1.292) 15.156 2.983 ( 17.940 -0.538 -0.859) 17.969 3.103 ( -2.929 -0.079 1.504) 3.293 3.183 ( -1.015 0.090 0.345) 1.075 3.245 ( -2.084 -0.699 0.137) 2.202 3.261 ( -1.364 -0.809 -1.216) 1.998 3.754 ( 1.946 1.661 -1.076) 2.776 3.784 ( 6.627 1.542 -1.489) 6.965 4.092 ( 4.605 -0.328 4.763) 6.633 4.241 ( 2.028 -0.520 1.343) 2.487 4.312 ( -0.552 1.425 1.077) 1.870 4.358 ( 7.025 -3.158 1.014) 7.769 4.828 ( -1.308 0.735 -2.069) 2.556 5.039 ( 0.735 1.038 -6.420) 6.545 5.168 ( -2.078 -1.112 1.472) 2.779 5.268 ( -4.535 0.416 -1.007) 4.664 5.524 ( 3.705 0.019 -5.158) 6.351 5.553 ( 1.902 -0.203 -2.459) 3.116 5.868 ( 3.548 0.663 3.421) 4.974 5.881 ( 0.299 -0.847 7.042) 7.099 6.027 ( 2.762 0.368 0.693) 2.871 6.253 ( -3.612 0.348 -1.697) 4.006 7.963 ( -7.024 0.143 -0.059) 7.026 7.973 ( -5.272 -0.078 -0.307) 5.281 9.178 ( 1.562 0.028 2.456) 2.911 9.335 ( 0.734 -0.173 -1.380) 1.573 9.571 ( 0.173 0.192 0.004) 0.258 9.579 ( -1.413 -0.209 -0.207) 1.443 9.884 ( -1.312 -0.004 0.458) 1.390 9.943 ( -3.855 0.297 -1.026) 4.001 ======================= Grid point 281 (101/192) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -8.617 -0.951 0.702) 8.698 3.029 ( -8.768 0.133 -1.339) 8.870 3.063 ( -4.688 -0.600 3.724) 6.017 3.232 ( 4.803 0.756 0.183) 4.865 3.350 ( 6.252 -0.679 0.115) 6.289 3.409 ( 14.076 -0.440 -0.752) 14.103 3.634 ( -9.610 0.179 0.742) 9.640 3.818 ( 2.011 5.437 -3.937) 7.008 4.178 ( 2.518 0.305 2.375) 3.475 4.250 ( -1.485 0.696 4.572) 4.857 4.311 ( 0.935 -0.187 0.946) 1.343 4.520 ( 6.225 -1.701 0.628) 6.484 4.765 ( -4.343 0.208 -2.280) 4.909 5.003 ( -2.919 2.991 -5.125) 6.612 5.116 ( -4.650 -2.739 -1.067) 5.501 5.172 ( -5.896 -2.192 -0.803) 6.341 5.544 ( -1.530 0.525 -2.107) 2.656 5.562 ( -0.881 -0.389 -3.741) 3.864 5.820 ( -5.923 -0.376 5.218) 7.902 5.889 ( -3.439 -0.717 0.512) 3.550 6.022 ( -2.633 1.350 2.606) 3.943 6.169 ( -4.106 -0.778 -0.228) 4.185 7.943 ( 5.012 -0.089 0.337) 5.024 7.978 ( 5.686 0.002 -0.540) 5.711 9.200 ( 0.881 0.387 2.158) 2.363 9.357 ( 0.559 -0.083 -1.669) 1.763 9.548 ( -1.198 -0.174 0.548) 1.329 9.593 ( 1.830 0.020 -0.554) 1.913 9.886 ( 1.454 -0.121 0.126) 1.464 9.909 ( 0.466 0.234 -0.462) 0.696 ======================= Grid point 282 (102/192) ======================= q-point: (-0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -10.901 1.475 2.420) 11.263 2.839 ( -10.336 1.258 -0.665) 10.434 2.886 ( -15.179 -1.168 4.197) 15.792 3.212 ( -10.713 1.073 -2.798) 11.124 3.326 ( -4.022 1.117 0.464) 4.200 3.395 ( -8.251 -0.800 -0.939) 8.342 3.707 ( 10.425 1.892 0.609) 10.613 3.882 ( 6.414 6.259 -5.171) 10.346 4.145 ( -2.633 2.612 4.960) 6.193 4.257 ( 0.951 -0.491 2.107) 2.363 4.311 ( 0.507 0.922 2.325) 2.552 4.589 ( 0.783 -0.345 -0.153) 0.869 4.696 ( -2.082 -0.075 -1.532) 2.587 4.892 ( -7.167 1.856 -0.806) 7.447 5.041 ( -5.905 -3.966 -3.545) 7.948 5.075 ( -6.939 -4.475 -2.338) 8.581 5.453 ( -8.698 1.643 -0.735) 8.882 5.491 ( -7.523 0.377 -2.116) 7.824 5.665 ( -8.618 -1.094 2.104) 8.939 5.765 ( -9.309 -2.283 -1.205) 9.660 5.955 ( -1.488 2.582 4.745) 5.603 6.143 ( -0.319 -3.515 -0.712) 3.601 8.134 ( 14.135 -0.297 0.439) 14.145 8.171 ( 13.964 -0.125 -0.480) 13.973 9.217 ( 1.719 1.022 1.762) 2.665 9.357 ( 0.148 -0.156 -1.773) 1.786 9.521 ( -2.712 -0.532 1.249) 3.032 9.608 ( -1.115 0.124 -0.922) 1.452 9.947 ( 4.508 -0.553 0.084) 4.542 9.963 ( 5.462 0.130 -0.281) 5.470 ======================= Grid point 283 (103/192) ======================= q-point: (-0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -25.833 1.947 6.654) 26.747 2.584 ( -14.082 3.158 1.517) 14.511 2.647 ( -9.695 2.697 -0.049) 10.063 2.838 ( -22.839 2.130 -3.783) 23.248 3.226 ( -5.523 2.553 -0.593) 6.113 3.329 ( -1.517 0.191 -4.044) 4.323 3.778 ( -0.778 4.435 1.187) 4.657 3.870 ( -3.779 2.678 2.380) 5.207 4.106 ( -0.754 3.304 1.297) 3.629 4.240 ( -3.648 0.805 -0.551) 3.776 4.317 ( -0.874 0.903 3.054) 3.303 4.585 ( -3.974 4.123 -3.521) 6.722 4.673 ( -3.193 3.612 0.903) 4.905 4.738 ( -5.406 -7.745 1.398) 9.548 4.904 ( -12.796 -4.623 -1.935) 13.743 4.927 ( -11.313 -4.256 -3.420) 12.562 5.197 ( -11.730 4.944 1.224) 12.788 5.300 ( -10.570 0.206 -1.618) 10.695 5.578 ( -2.919 -3.085 0.553) 4.283 5.658 ( -1.678 -1.980 -1.389) 2.944 5.959 ( 3.330 1.323 4.383) 5.661 6.193 ( 2.864 -4.476 -2.047) 5.695 8.440 ( 17.061 -0.309 0.436) 17.069 8.475 ( 17.209 -0.648 -0.462) 17.227 9.257 ( 3.569 1.775 1.645) 4.312 9.386 ( 2.105 -0.925 -1.500) 2.746 9.445 ( -5.055 -0.875 1.173) 5.263 9.543 ( -5.299 0.116 -0.955) 5.386 10.044 ( 4.862 -0.317 0.459) 4.894 10.087 ( 6.539 -0.987 -0.579) 6.638 ======================= Grid point 284 (104/192) ======================= q-point: (-0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -28.813 0.714 7.000) 29.659 2.198 ( -23.231 5.098 -1.354) 23.822 2.437 ( -9.768 9.161 0.797) 13.415 2.468 ( -11.532 7.225 -0.322) 13.612 3.102 ( -5.738 3.224 -1.756) 6.812 3.271 ( -4.694 1.399 -8.375) 9.702 3.669 ( -7.403 2.103 4.893) 9.120 3.771 ( -5.081 1.664 4.406) 6.928 3.968 ( -16.151 0.463 0.051) 16.158 4.053 ( -17.984 2.840 2.615) 18.393 4.153 ( -16.374 -0.893 -0.887) 16.422 4.339 ( -13.151 -0.959 -3.402) 13.618 4.549 ( -6.872 2.594 0.299) 7.351 4.629 ( -12.387 -3.205 0.119) 12.796 4.669 ( -4.691 3.459 2.711) 6.428 4.888 ( -5.024 -5.720 -1.489) 7.757 5.079 ( 2.345 1.938 -0.851) 3.159 5.145 ( -2.819 0.913 -3.670) 4.717 5.577 ( 0.785 -3.173 2.223) 3.953 5.727 ( 7.224 0.590 -2.524) 7.675 6.058 ( 7.266 -0.425 4.265) 8.436 6.308 ( 6.396 -3.764 -2.482) 7.825 8.752 ( 15.054 -0.322 0.500) 15.066 8.799 ( 15.707 -1.143 -0.725) 15.765 9.270 ( -6.079 0.119 1.479) 6.258 9.361 ( -0.496 0.193 0.839) 0.993 9.404 ( -2.599 0.829 -0.570) 2.787 9.513 ( 5.378 -1.877 -1.121) 5.806 10.116 ( 2.123 -0.562 0.949) 2.393 10.200 ( 3.898 -2.365 -1.095) 4.689 ======================= Grid point 285 (105/192) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -20.744 2.736 7.044) 22.077 1.765 ( -16.329 6.225 -3.807) 17.885 2.163 ( -10.084 14.832 2.844) 18.160 2.249 ( -6.889 10.608 2.420) 12.878 2.936 ( -11.675 7.008 -3.921) 14.170 3.117 ( -11.898 2.432 -10.958) 16.357 3.332 ( -28.595 2.392 2.485) 28.802 3.480 ( -26.986 1.123 1.829) 27.071 3.675 ( -5.867 -0.318 5.430) 8.000 3.692 ( -9.389 -0.567 5.243) 10.769 3.904 ( -13.387 -1.213 0.029) 13.442 4.146 ( -9.907 -2.547 -6.341) 12.035 4.347 ( -15.145 -2.768 0.582) 15.407 4.444 ( -8.605 -0.750 1.066) 8.704 4.587 ( -4.335 0.234 5.219) 6.789 4.805 ( -3.350 -2.209 1.584) 4.314 5.088 ( 3.651 3.473 -2.443) 5.600 5.243 ( 7.528 2.279 -9.682) 12.474 5.645 ( 4.688 -0.679 5.604) 7.338 5.875 ( 8.449 2.450 -2.982) 9.289 6.236 ( 11.012 -1.375 4.231) 11.877 6.480 ( 9.665 -2.210 -2.378) 10.196 8.954 ( 2.018 -0.251 0.877) 2.214 9.031 ( 2.770 -1.374 -1.235) 3.330 9.160 ( 1.596 -0.547 1.380) 2.180 9.244 ( -3.130 0.251 -0.947) 3.279 9.518 ( 8.902 0.663 1.826) 9.112 9.655 ( 7.413 -1.916 -1.442) 7.791 10.124 ( -1.787 -1.053 1.405) 2.505 10.256 ( -0.516 -4.231 -1.781) 4.619 ======================= Grid point 286 (106/192) ======================= q-point: (-0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -7.154 8.370 6.310) 12.690 1.538 ( -3.290 10.339 -5.171) 12.019 1.860 ( -12.788 13.710 2.566) 18.923 2.086 ( -3.368 9.402 5.232) 11.274 2.417 ( -32.966 9.180 -2.722) 34.328 2.565 ( -33.061 10.829 -1.458) 34.819 3.048 ( -4.387 1.295 -4.175) 6.193 3.171 ( -6.688 0.872 -2.153) 7.080 3.495 ( -12.084 -0.533 1.750) 12.222 3.595 ( -8.174 -1.102 1.091) 8.320 3.697 ( -6.550 -2.923 4.907) 8.690 3.964 ( -12.083 -5.307 -3.818) 13.738 4.064 ( -16.181 -3.576 0.689) 16.586 4.280 ( -8.175 -0.179 3.070) 8.734 4.536 ( -1.882 -4.421 2.857) 5.590 4.806 ( 1.645 -0.817 2.777) 3.329 5.167 ( 6.501 4.378 -3.179) 8.458 5.343 ( 5.410 3.854 -11.145) 12.974 5.737 ( 5.177 2.977 7.288) 9.422 5.994 ( 5.906 3.023 -2.480) 7.084 6.486 ( 14.069 -0.800 3.365) 14.488 6.700 ( 13.087 -0.231 -2.306) 13.291 8.824 ( -10.668 -0.678 1.191) 10.756 8.904 ( -10.885 -0.281 -0.719) 10.913 9.316 ( 8.447 -0.325 0.229) 8.457 9.339 ( 8.838 -0.371 -0.273) 8.850 9.677 ( 7.249 -0.078 1.437) 7.391 9.799 ( 6.207 -1.669 -1.487) 6.597 10.066 ( -4.807 -1.255 1.493) 5.188 10.225 ( -6.636 -6.220 -2.437) 9.416 ======================= Grid point 287 (107/192) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.600 14.541 3.868) 15.059 1.293 ( -20.628 16.522 5.581) 27.012 1.551 ( -10.542 6.967 -9.270) 15.672 1.686 ( -23.946 10.787 -6.342) 27.019 1.965 ( -10.251 21.501 8.433) 25.268 2.169 ( 1.781 2.472 5.652) 6.421 2.974 ( -1.629 5.293 -4.948) 7.427 3.138 ( 2.234 0.287 -4.426) 4.966 3.273 ( -10.112 -0.856 0.877) 10.186 3.394 ( -11.637 -2.219 -2.841) 12.183 3.663 ( -2.440 -3.524 3.381) 5.459 3.777 ( -10.613 -5.154 -0.543) 11.811 3.820 ( -10.206 -3.642 4.813) 11.857 4.179 ( -2.580 -0.419 4.246) 4.986 4.559 ( 0.047 -6.520 0.777) 6.566 4.855 ( 2.234 -1.642 3.708) 4.630 5.254 ( 5.213 4.481 -4.491) 8.211 5.405 ( 3.899 4.288 -9.686) 11.287 5.789 ( 2.900 4.653 7.590) 9.364 6.060 ( 3.097 2.654 -2.213) 4.640 6.728 ( 9.528 -0.355 3.009) 9.998 7.015 ( 21.669 1.697 -5.344) 22.383 8.640 ( -8.489 -0.958 0.928) 8.593 8.709 ( -8.808 0.070 -0.652) 8.832 9.445 ( 5.109 -0.147 0.781) 5.171 9.501 ( 7.738 -0.246 -0.544) 7.761 9.751 ( -0.725 -0.665 1.060) 1.446 9.885 ( -0.079 -1.596 -2.539) 3.000 9.989 ( -2.987 -0.615 0.852) 3.167 10.081 ( -11.202 -5.601 -0.947) 12.560 ======================= Grid point 288 (108/192) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 0.000 17.803 2.623) 17.996 0.867 ( 0.000 18.367 5.156) 19.077 1.235 ( 0.000 11.890 -4.139) 12.590 1.509 ( 0.000 12.378 -6.452) 13.958 1.732 ( 0.000 21.851 7.752) 23.186 2.214 ( -0.000 -1.083 4.842) 4.962 2.920 ( 0.000 7.278 -4.093) 8.350 3.153 ( -0.000 -0.816 1.529) 1.733 3.214 ( 0.000 0.094 -7.820) 7.821 3.262 ( -0.000 -2.752 -1.177) 2.993 3.638 ( -0.000 -3.445 0.430) 3.471 3.676 ( -0.000 -2.829 -0.513) 2.875 3.772 ( -0.000 -4.791 10.690) 11.714 4.167 ( -0.000 -0.995 4.295) 4.409 4.608 ( -0.000 -7.571 1.177) 7.662 4.893 ( -0.000 -2.439 4.346) 4.984 5.280 ( 0.000 4.378 -6.175) 7.569 5.420 ( 0.000 4.643 -7.444) 8.773 5.790 ( 0.000 3.145 7.028) 7.700 6.076 ( 0.000 1.577 -2.760) 3.179 6.819 ( 0.000 0.840 3.587) 3.684 7.334 ( -0.000 -1.259 -14.941) 14.994 8.551 ( -0.000 -0.980 0.704) 1.207 8.613 ( 0.000 0.378 -0.818) 0.901 9.508 ( -0.000 -0.722 2.144) 2.262 9.614 ( -0.000 -1.199 -1.429) 1.865 9.690 ( 0.000 0.018 1.131) 1.131 9.777 ( 0.000 1.791 -1.017) 2.060 9.976 ( -0.000 -0.488 0.581) 0.759 10.015 ( -0.000 -1.744 1.141) 2.084 ======================= Grid point 295 (109/192) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -8.303 -0.000 0.803) 8.341 3.029 ( -9.349 -0.000 -1.993) 9.559 3.059 ( -3.740 -0.000 4.514) 5.862 3.237 ( 5.187 0.000 0.157) 5.189 3.345 ( 6.299 0.000 0.053) 6.299 3.407 ( 14.396 0.000 -0.845) 14.420 3.635 ( -10.077 -0.000 1.092) 10.136 3.855 ( 2.267 0.000 -5.055) 5.540 4.181 ( 2.981 0.000 2.527) 3.908 4.253 ( -1.747 -0.000 4.487) 4.815 4.311 ( 1.059 0.000 1.529) 1.860 4.505 ( 7.180 0.000 1.374) 7.311 4.768 ( -4.580 -0.000 -2.883) 5.412 5.028 ( -2.132 -0.000 -7.767) 8.055 5.095 ( -4.953 -0.000 1.083) 5.070 5.153 ( -7.472 -0.000 -0.446) 7.486 5.549 ( -1.850 -0.000 -1.493) 2.377 5.557 ( -0.361 -0.000 -4.201) 4.217 5.818 ( -5.926 -0.000 5.550) 8.119 5.884 ( -3.781 -0.000 0.158) 3.784 6.032 ( -1.969 -0.000 2.404) 3.108 6.164 ( -5.067 -0.000 -0.082) 5.068 7.942 ( 4.941 0.000 0.347) 4.953 7.978 ( 5.689 0.000 -0.544) 5.715 9.202 ( 0.996 0.000 2.115) 2.338 9.356 ( 0.664 0.000 -1.625) 1.755 9.547 ( -1.307 -0.000 0.555) 1.420 9.593 ( 1.852 0.000 -0.575) 1.939 9.885 ( 1.340 0.000 0.157) 1.349 9.910 ( 0.437 0.000 -0.489) 0.655 ======================= Grid point 296 (110/192) ======================= q-point: (-0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -8.889 0.426 2.327) 9.199 2.850 ( -9.430 0.400 -0.772) 9.470 2.876 ( -16.364 -0.375 4.641) 17.013 3.221 ( -11.076 0.370 -2.941) 11.466 3.337 ( -2.229 0.408 0.179) 2.273 3.388 ( -8.521 -0.268 -0.750) 8.558 3.723 ( 11.797 0.607 1.310) 11.885 3.942 ( 4.390 2.546 -6.275) 8.070 4.180 ( -1.467 2.372 2.789) 3.944 4.243 ( 1.899 -1.370 3.185) 3.953 4.322 ( 1.456 0.643 3.898) 4.210 4.559 ( -3.552 -2.316 2.082) 4.724 4.717 ( 1.221 1.755 -3.227) 3.871 4.934 ( -7.859 3.900 -2.697) 9.179 4.996 ( -6.194 -2.438 -2.059) 6.968 5.016 ( -7.620 -4.168 -2.629) 9.075 5.468 ( -7.123 0.626 -0.571) 7.173 5.493 ( -7.498 0.049 -1.965) 7.751 5.657 ( -9.375 -0.236 2.670) 9.751 5.743 ( -9.779 -0.974 -1.066) 9.885 5.988 ( -1.128 1.906 3.039) 3.761 6.103 ( -1.600 -2.164 0.091) 2.693 8.131 ( 14.113 -0.106 0.487) 14.122 8.170 ( 13.833 -0.043 -0.473) 13.841 9.226 ( 2.033 0.409 1.566) 2.599 9.355 ( -0.160 -0.089 -1.702) 1.712 9.516 ( -2.805 -0.204 1.352) 3.121 9.609 ( -1.097 0.036 -1.026) 1.502 9.942 ( 4.572 -0.213 0.223) 4.582 9.965 ( 5.174 0.095 -0.348) 5.187 ======================= Grid point 297 (111/192) ======================= q-point: (-0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -27.762 0.536 6.738) 28.573 2.622 ( -9.855 2.705 1.191) 10.289 2.668 ( -9.550 0.393 0.142) 9.559 2.864 ( -20.612 1.704 -3.500) 20.976 3.253 ( -5.535 1.474 -1.055) 5.824 3.331 ( -0.860 0.005 -3.850) 3.945 3.829 ( -0.497 3.207 2.380) 4.024 3.893 ( -6.000 0.874 2.545) 6.576 4.141 ( -1.978 2.107 0.213) 2.898 4.244 ( -3.019 -0.223 -1.178) 3.248 4.353 ( -3.171 4.505 3.315) 6.430 4.580 ( 6.807 -6.424 -0.450) 9.370 4.676 ( -14.586 0.941 0.060) 14.616 4.731 ( -1.615 4.305 -0.929) 4.691 4.847 ( -13.819 -3.954 -1.516) 14.454 4.880 ( -9.475 -3.173 -3.926) 10.736 5.253 ( -11.952 3.368 0.496) 12.428 5.299 ( -10.578 -0.330 -0.701) 10.606 5.545 ( -3.397 -1.754 1.567) 4.131 5.633 ( -0.682 -1.727 -0.959) 2.090 5.990 ( 3.290 3.195 2.302) 5.131 6.132 ( 2.270 -4.786 -1.277) 5.448 8.436 ( 17.139 -0.164 0.475) 17.147 8.469 ( 16.889 -0.374 -0.336) 16.897 9.279 ( 4.010 1.381 1.099) 4.381 9.374 ( 1.673 -0.837 -1.435) 2.358 9.435 ( -5.283 -0.550 1.616) 5.552 9.544 ( -5.465 0.031 -1.196) 5.595 10.039 ( 4.858 -0.305 0.486) 4.891 10.079 ( 6.084 -0.323 -0.486) 6.112 ======================= Grid point 298 (112/192) ======================= q-point: (-0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -28.736 0.152 7.055) 29.590 2.249 ( -24.051 2.798 -3.048) 24.405 2.524 ( -5.302 4.875 1.425) 7.342 2.576 ( -8.190 8.036 0.861) 11.506 3.133 ( -6.042 1.589 -2.064) 6.580 3.286 ( -3.998 0.895 -8.355) 9.306 3.695 ( -9.335 1.877 5.609) 11.051 3.785 ( -5.566 0.556 4.972) 7.484 3.977 ( -16.759 0.887 -0.970) 16.811 4.081 ( -20.576 0.973 2.333) 20.731 4.143 ( -15.084 0.035 0.427) 15.090 4.321 ( -15.000 -1.768 -3.685) 15.547 4.566 ( -12.722 -0.971 -0.108) 12.759 4.608 ( -8.935 0.929 1.093) 9.049 4.716 ( -2.364 3.142 -0.307) 3.944 4.816 ( -1.481 -4.780 -1.216) 5.149 5.109 ( 1.515 2.143 -1.111) 2.850 5.152 ( -3.204 0.227 -2.630) 4.152 5.545 ( 2.306 -1.547 3.338) 4.342 5.731 ( 8.853 -0.132 -2.193) 9.122 6.067 ( 6.634 1.995 2.721) 7.442 6.249 ( 6.660 -5.127 -1.966) 8.632 8.749 ( 15.123 -0.107 0.485) 15.131 8.785 ( 15.449 -0.982 -0.420) 15.486 9.271 ( -7.754 0.051 1.335) 7.868 9.364 ( -0.505 0.260 -0.084) 0.574 9.416 ( -1.097 1.108 -0.293) 1.586 9.488 ( 5.065 -1.956 -0.769) 5.484 10.108 ( 1.881 -0.498 0.829) 2.115 10.176 ( 3.238 -1.329 -0.813) 3.593 ======================= Grid point 299 (113/192) ======================= q-point: (-0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -18.739 1.647 7.174) 20.133 1.825 ( -16.528 3.328 -4.814) 17.534 2.359 ( -6.945 14.646 3.336) 16.549 2.386 ( -5.225 10.341 3.015) 11.972 3.003 ( -7.755 2.790 -3.986) 9.155 3.147 ( -11.467 2.390 -10.722) 15.880 3.355 ( -28.484 1.412 1.532) 28.560 3.483 ( -29.752 -0.719 0.024) 29.761 3.666 ( -10.164 -0.343 6.453) 12.044 3.692 ( -6.574 0.036 6.443) 9.205 3.884 ( -14.545 -1.784 0.047) 14.654 4.101 ( -12.507 -4.033 -5.788) 14.359 4.319 ( -15.211 -1.635 1.040) 15.334 4.448 ( -8.054 0.891 2.386) 8.447 4.582 ( -8.791 -0.876 2.518) 9.186 4.790 ( -0.393 -0.212 0.456) 0.638 5.129 ( 4.144 2.843 -2.298) 5.526 5.266 ( 8.648 1.240 -9.326) 12.779 5.646 ( 7.611 0.743 6.810) 10.240 5.911 ( 9.933 2.944 -2.977) 10.779 6.221 ( 10.304 -0.856 3.670) 10.972 6.440 ( 10.156 -3.885 -2.197) 11.093 8.952 ( 2.071 0.077 0.780) 2.215 9.010 ( 2.813 -1.694 -0.704) 3.358 9.155 ( 1.824 -0.352 1.173) 2.196 9.247 ( -3.573 0.150 -1.205) 3.774 9.528 ( 8.437 0.907 1.317) 8.587 9.630 ( 7.548 -1.905 -1.117) 7.864 10.111 ( -2.130 -0.994 1.155) 2.619 10.210 ( -1.267 -2.782 -1.237) 3.298 ======================= Grid point 300 (114/192) ======================= q-point: (-0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -3.837 6.044 6.153) 9.440 1.628 ( -2.078 4.219 -7.529) 8.877 2.062 ( -15.547 16.648 5.416) 23.414 2.227 ( -3.391 12.094 5.404) 13.673 2.532 ( -34.898 8.206 -3.137) 35.987 2.695 ( -26.143 8.816 -2.410) 27.695 3.039 ( -4.627 -2.265 -3.283) 6.109 3.176 ( -5.686 -0.499 -3.979) 6.958 3.486 ( -11.868 -0.758 0.947) 11.929 3.573 ( -10.121 -2.422 0.829) 10.440 3.666 ( -6.252 -1.590 5.901) 8.743 3.886 ( -13.226 -6.074 -2.041) 14.696 4.030 ( -15.858 -2.004 0.804) 16.005 4.271 ( -9.534 -1.776 4.784) 10.814 4.488 ( -2.523 -2.443 0.401) 3.534 4.805 ( 1.861 0.535 0.733) 2.071 5.218 ( 6.524 3.515 -2.733) 7.899 5.385 ( 5.503 2.680 -10.258) 11.945 5.788 ( 8.243 4.592 7.570) 12.097 6.043 ( 6.657 4.657 -1.693) 8.299 6.464 ( 13.452 -2.509 2.906) 13.989 6.681 ( 13.390 -2.675 -2.531) 13.888 8.815 ( -10.924 -0.651 1.136) 11.002 8.898 ( -10.630 -0.552 -0.846) 10.678 9.312 ( 8.698 -0.219 0.154) 8.702 9.332 ( 8.646 -0.566 -0.298) 8.669 9.676 ( 6.786 0.037 1.195) 6.891 9.777 ( 6.406 -1.631 -1.244) 6.726 10.048 ( -4.929 -1.513 1.200) 5.294 10.159 ( -6.578 -3.983 -1.437) 7.823 ======================= Grid point 301 (115/192) ======================= q-point: (-0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 2.677 10.984 3.901) 11.960 1.501 ( -21.971 15.472 2.896) 27.027 1.633 ( -5.798 5.475 -9.109) 12.107 1.821 ( -26.068 9.701 -5.332) 28.321 2.174 ( 1.623 8.527 10.140) 13.348 2.291 ( -7.228 18.249 4.002) 20.032 3.011 ( -0.402 0.077 -5.951) 5.965 3.143 ( 1.262 0.431 -3.803) 4.030 3.263 ( -10.301 -0.616 -0.341) 10.325 3.360 ( -11.926 -3.027 -3.210) 12.716 3.621 ( -2.897 -2.737 3.738) 5.464 3.708 ( -8.523 -5.094 2.022) 10.133 3.781 ( -10.635 -2.647 3.100) 11.390 4.160 ( -3.791 -3.075 6.243) 7.925 4.487 ( -0.297 -4.051 -1.688) 4.399 4.844 ( 1.977 -0.219 1.176) 2.311 5.305 ( 4.709 3.593 -3.324) 6.793 5.449 ( 3.366 2.909 -8.952) 9.996 5.872 ( 4.550 7.613 7.323) 11.502 6.107 ( 3.325 4.659 -0.674) 5.763 6.707 ( 8.989 -2.880 2.804) 9.847 7.002 ( 18.344 -3.459 -5.265) 19.395 8.628 ( -8.619 -0.962 0.962) 8.726 8.708 ( -8.616 -0.146 -0.938) 8.668 9.444 ( 5.149 -0.098 0.649) 5.190 9.495 ( 7.488 -0.665 -0.566) 7.538 9.743 ( -1.005 -0.607 1.207) 1.684 9.866 ( 0.281 -1.305 -2.033) 2.432 9.977 ( -2.677 -1.312 0.551) 3.032 10.027 ( -7.547 -2.768 0.158) 8.040 ======================= Grid point 302 (116/192) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.000 14.176 2.342) 14.368 1.097 ( 0.000 16.933 3.882) 17.372 1.390 ( 0.000 11.606 -3.410) 12.097 1.632 ( 0.000 8.226 -14.395) 16.580 2.055 ( 0.000 25.426 10.432) 27.483 2.212 ( 0.000 1.355 8.530) 8.637 2.998 ( 0.000 4.291 -7.015) 8.224 3.140 ( -0.000 -1.141 1.179) 1.641 3.216 ( 0.000 0.308 -7.391) 7.398 3.221 ( -0.000 -3.542 -0.824) 3.637 3.592 ( -0.000 -3.679 0.507) 3.714 3.639 ( -0.000 -2.922 -0.646) 2.993 3.717 ( -0.000 -3.743 9.910) 10.594 4.148 ( -0.000 -2.417 5.579) 6.080 4.518 ( -0.000 -5.895 -1.474) 6.076 4.869 ( -0.000 -1.109 2.369) 2.615 5.331 ( 0.000 3.516 -4.465) 5.683 5.467 ( 0.000 2.798 -8.411) 8.864 5.863 ( 0.000 7.729 7.652) 10.876 6.110 ( 0.000 3.768 -0.912) 3.877 6.811 ( -0.000 -2.037 3.634) 4.166 7.278 ( -0.000 -6.787 -10.727) 12.694 8.539 ( -0.000 -0.861 0.867) 1.221 8.617 ( 0.000 0.252 -1.057) 1.086 9.501 ( -0.000 -0.357 1.621) 1.660 9.596 ( -0.000 -1.548 -1.163) 1.936 9.691 ( 0.000 0.189 1.429) 1.442 9.799 ( 0.000 1.650 -1.243) 2.066 9.967 ( -0.000 -0.905 0.458) 1.014 9.994 ( -0.000 -1.494 0.917) 1.753 ======================= Grid point 311 (117/192) ======================= q-point: (-0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -28.293 -0.000 6.679) 29.071 2.646 ( -5.542 -0.000 1.574) 5.761 2.664 ( -12.746 -0.000 -0.304) 12.749 2.876 ( -19.480 -0.000 -3.301) 19.757 3.263 ( -5.620 -0.000 -1.225) 5.752 3.330 ( -0.581 -0.000 -3.778) 3.823 3.852 ( 0.589 0.000 3.250) 3.303 3.896 ( -7.636 -0.000 2.117) 7.924 4.156 ( -2.640 -0.000 0.065) 2.641 4.241 ( -3.179 -0.000 -1.247) 3.415 4.404 ( -9.775 -0.000 2.598) 10.114 4.509 ( 14.835 0.000 1.595) 14.921 4.695 ( -18.801 -0.000 -0.466) 18.807 4.762 ( 0.248 0.000 -2.191) 2.204 4.821 ( -11.697 -0.000 -0.956) 11.736 4.851 ( -9.628 -0.000 -4.445) 10.604 5.278 ( -12.558 -0.000 0.074) 12.559 5.294 ( -10.128 -0.000 -0.338) 10.134 5.535 ( -3.328 -0.000 2.195) 3.987 5.620 ( -0.485 -0.000 -0.720) 0.868 6.023 ( 4.237 0.000 0.930) 4.338 6.088 ( 1.078 0.000 -0.504) 1.190 8.435 ( 17.182 0.000 0.490) 17.189 8.466 ( 16.755 0.000 -0.292) 16.757 9.289 ( 4.383 0.000 0.859) 4.466 9.368 ( 1.293 0.000 -1.373) 1.886 9.431 ( -5.355 -0.000 1.783) 5.644 9.544 ( -5.520 -0.000 -1.285) 5.668 10.037 ( 4.870 0.000 0.519) 4.898 10.078 ( 5.907 0.000 -0.475) 5.927 ======================= Grid point 313 (118/192) ======================= q-point: (-0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -28.605 0.001 7.097) 29.472 2.272 ( -24.530 0.893 -3.871) 24.849 2.568 ( -2.728 1.800 2.236) 3.960 2.652 ( -5.772 3.164 0.807) 6.632 3.145 ( -6.867 0.367 -2.161) 7.208 3.294 ( -3.574 0.295 -8.352) 9.090 3.714 ( -10.923 0.878 6.215) 12.598 3.788 ( -5.764 -0.016 5.084) 7.686 3.987 ( -17.624 0.546 -1.841) 17.728 4.079 ( -19.159 -0.596 1.669) 19.240 4.156 ( -16.571 1.108 2.632) 16.815 4.300 ( -17.271 -1.129 -4.544) 17.894 4.551 ( -12.952 -0.763 0.122) 12.976 4.624 ( -8.245 0.774 1.623) 8.439 4.737 ( -1.832 -0.049 -2.055) 2.753 4.781 ( 0.608 -0.422 -1.379) 1.565 5.126 ( 0.970 0.445 -2.266) 2.505 5.154 ( -3.596 0.196 -1.391) 3.861 5.536 ( 3.516 -0.087 4.273) 5.534 5.725 ( 9.988 -0.459 -1.415) 10.098 6.110 ( 5.853 4.369 0.647) 7.332 6.179 ( 7.054 -5.442 -1.011) 8.966 8.749 ( 15.261 0.031 0.444) 15.268 8.775 ( 15.174 -0.435 -0.225) 15.182 9.271 ( -8.587 0.008 1.304) 8.685 9.366 ( -1.023 0.118 -0.773) 1.287 9.432 ( -0.288 1.094 -0.092) 1.135 9.465 ( 5.337 -1.418 -0.493) 5.544 10.104 ( 1.756 -0.210 0.808) 1.944 10.165 ( 2.880 -0.404 -0.700) 2.991 ======================= Grid point 314 (119/192) ======================= q-point: (-0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -17.485 0.745 7.386) 18.995 1.855 ( -16.866 1.485 -4.855) 17.614 2.497 ( -2.551 6.952 3.022) 7.998 2.529 ( -3.883 10.012 3.023) 11.156 3.010 ( -7.596 -1.032 -3.419) 8.394 3.172 ( -10.787 0.960 -10.270) 14.925 3.372 ( -27.756 1.257 0.548) 27.789 3.468 ( -31.894 -1.261 -0.814) 31.930 3.669 ( -10.047 0.553 5.373) 11.407 3.690 ( -9.003 -0.218 7.570) 11.765 3.862 ( -14.877 -1.270 1.222) 14.981 4.053 ( -13.716 -2.958 -5.867) 15.209 4.305 ( -14.801 -0.636 1.927) 14.940 4.454 ( -10.268 -0.184 4.080) 11.050 4.575 ( -9.451 0.002 0.368) 9.458 4.792 ( 0.801 0.296 -1.660) 1.867 5.159 ( 4.390 1.688 -1.942) 5.089 5.276 ( 9.554 0.396 -8.752) 12.963 5.661 ( 9.720 1.375 7.559) 12.390 5.942 ( 11.919 1.630 -2.499) 12.287 6.221 ( 8.326 0.939 2.439) 8.727 6.385 ( 10.836 -4.232 -1.772) 11.768 8.957 ( 2.138 0.637 0.564) 2.301 8.988 ( 2.719 -1.659 -0.203) 3.192 9.151 ( 1.991 -0.163 1.025) 2.245 9.248 ( -3.859 0.067 -1.383) 4.100 9.540 ( 7.912 0.911 0.862) 8.010 9.607 ( 7.834 -1.466 -0.776) 8.008 10.100 ( -2.444 -0.657 1.077) 2.750 10.184 ( -1.592 -1.276 -0.969) 2.258 ======================= Grid point 315 (120/192) ======================= q-point: (-0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -1.453 3.644 6.399) 7.506 1.662 ( -2.516 1.448 -6.046) 6.707 2.271 ( -17.882 15.075 4.156) 23.755 2.387 ( -3.160 11.831 5.308) 13.347 2.619 ( -36.344 4.836 -3.107) 36.796 2.775 ( -18.801 2.617 -1.498) 19.041 3.006 ( -5.781 -2.043 -3.070) 6.857 3.157 ( -5.124 -2.167 -6.939) 8.894 3.478 ( -11.821 -0.405 0.333) 11.832 3.535 ( -11.582 -3.051 0.540) 11.990 3.657 ( -5.518 0.085 6.672) 8.659 3.816 ( -13.000 -4.550 -1.638) 13.871 4.011 ( -15.908 -0.806 2.155) 16.073 4.229 ( -12.507 -4.277 7.411) 15.153 4.479 ( -1.838 0.741 -1.752) 2.645 4.813 ( 1.674 0.467 -2.174) 2.783 5.257 ( 6.473 2.464 -2.022) 7.215 5.414 ( 5.937 1.868 -8.635) 10.644 5.848 ( 10.685 4.296 7.396) 13.687 6.110 ( 7.856 5.252 -1.266) 9.534 6.426 ( 12.064 -3.055 2.386) 12.671 6.635 ( 12.986 -3.998 -2.566) 13.828 8.808 ( -11.197 -0.463 1.065) 11.258 8.891 ( -10.318 -0.560 -0.915) 10.374 9.310 ( 9.019 -0.058 0.071) 9.020 9.325 ( 8.282 -0.567 -0.278) 8.306 9.677 ( 6.237 0.115 0.982) 6.314 9.758 ( 6.741 -1.237 -1.004) 6.926 10.029 ( -5.249 -1.366 1.184) 5.552 10.122 ( -5.972 -1.884 -1.041) 6.348 ======================= Grid point 316 (121/192) ======================= q-point: (-0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 4.081 7.562 4.606) 9.750 1.669 ( -5.749 5.814 -5.242) 9.712 1.704 ( -19.446 9.569 -0.162) 21.674 1.927 ( -28.054 6.433 -3.405) 28.983 2.285 ( -0.169 9.758 8.122) 12.697 2.530 ( -3.111 16.649 2.393) 17.106 2.986 ( 0.352 -3.057 -5.613) 6.401 3.137 ( 0.145 -1.628 -3.902) 4.230 3.256 ( -10.177 -0.912 -2.274) 10.468 3.321 ( -11.191 -2.472 -4.012) 12.142 3.593 ( -4.231 -1.729 3.827) 5.961 3.650 ( -6.328 -3.646 2.334) 7.667 3.753 ( -10.842 -1.493 4.268) 11.747 4.094 ( -5.432 -6.781 9.433) 12.825 4.462 ( -0.172 -0.091 -3.523) 3.528 4.845 ( 1.695 0.230 -2.407) 2.953 5.347 ( 4.412 2.790 -1.981) 5.584 5.485 ( 3.203 2.592 -6.859) 8.002 5.973 ( 6.104 7.516 6.278) 11.540 6.180 ( 3.833 6.529 0.491) 7.587 6.658 ( 8.492 -4.321 2.111) 9.759 6.934 ( 14.548 -6.591 -4.778) 16.671 8.616 ( -8.629 -0.792 1.007) 8.723 8.705 ( -8.313 -0.209 -1.150) 8.395 9.443 ( 5.193 -0.015 0.506) 5.218 9.485 ( 7.174 -0.819 -0.486) 7.236 9.736 ( -1.093 -0.473 1.374) 1.818 9.852 ( 1.239 -0.784 -1.610) 2.178 9.956 ( -2.372 -1.630 0.760) 2.976 10.005 ( -5.519 -0.915 -0.068) 5.595 ======================= Grid point 317 (122/192) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 10.175 3.364) 10.717 1.300 ( 0.000 14.246 2.968) 14.552 1.528 ( 0.000 9.547 -2.687) 9.918 1.723 ( 0.000 5.269 -12.922) 13.955 2.246 ( 0.000 5.740 10.433) 11.908 2.378 ( 0.000 22.273 5.352) 22.907 3.020 ( -0.000 -0.870 -8.393) 8.438 3.124 ( -0.000 -1.419 0.751) 1.606 3.173 ( -0.000 -3.744 -0.478) 3.775 3.224 ( 0.000 0.688 -7.759) 7.789 3.545 ( -0.000 -3.328 0.641) 3.390 3.603 ( -0.000 -2.407 -0.777) 2.529 3.675 ( -0.000 -2.670 10.384) 10.722 4.092 ( -0.000 -6.409 8.813) 10.897 4.467 ( -0.000 -1.833 -3.840) 4.255 4.863 ( -0.000 -0.082 -1.302) 1.304 5.373 ( 0.000 2.962 -2.627) 3.959 5.500 ( 0.000 2.523 -6.683) 7.144 5.975 ( 0.000 9.066 6.318) 11.050 6.174 ( 0.000 6.097 0.624) 6.129 6.770 ( -0.000 -4.156 3.019) 5.137 7.168 ( -0.000 -9.932 -8.004) 12.756 8.529 ( -0.000 -0.669 0.990) 1.195 8.619 ( 0.000 0.155 -1.251) 1.260 9.498 ( -0.000 -0.134 1.226) 1.233 9.576 ( -0.000 -1.539 -0.905) 1.785 9.694 ( 0.000 0.240 1.670) 1.687 9.819 ( 0.000 1.320 -1.416) 1.936 9.952 ( -0.000 -1.256 0.514) 1.358 9.978 ( -0.000 -0.974 0.484) 1.088 ======================= Grid point 328 (123/192) ======================= q-point: (-0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -17.058 -0.000 7.483) 18.627 1.865 ( -17.008 -0.000 -4.800) 17.672 2.545 ( -1.090 -0.000 3.216) 3.396 2.599 ( -2.028 -0.000 2.536) 3.247 2.999 ( -8.610 -0.000 -3.072) 9.142 3.175 ( -11.774 -0.000 -9.645) 15.220 3.383 ( -25.214 -0.000 -0.384) 25.217 3.458 ( -33.786 -0.000 -0.720) 33.794 3.674 ( -7.158 -0.000 3.557) 7.993 3.688 ( -13.203 -0.000 8.599) 15.756 3.854 ( -14.707 -0.000 2.370) 14.897 4.033 ( -13.974 -0.000 -6.227) 15.299 4.301 ( -14.582 -0.000 2.335) 14.767 4.450 ( -11.831 -0.000 4.754) 12.751 4.577 ( -8.823 -0.000 -0.240) 8.827 4.794 ( 0.892 0.000 -2.705) 2.849 5.170 ( 4.473 0.000 -1.778) 4.814 5.278 ( 9.986 0.000 -8.476) 13.098 5.672 ( 10.415 0.000 7.825) 13.027 5.952 ( 12.929 0.000 -2.080) 13.095 6.233 ( 6.624 0.000 1.507) 6.794 6.350 ( 11.753 0.000 -1.420) 11.839 8.968 ( -0.497 -0.000 0.259) 0.560 8.970 ( 5.326 0.000 0.198) 5.329 9.150 ( 2.052 0.000 0.973) 2.272 9.249 ( -3.959 -0.000 -1.447) 4.215 9.547 ( 7.557 0.000 0.643) 7.584 9.596 ( 8.102 0.000 -0.594) 8.124 10.095 ( -2.571 -0.000 1.071) 2.785 10.176 ( -1.671 -0.000 -0.899) 1.897 ======================= Grid point 330 (124/192) ======================= q-point: (-0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -0.118 1.230 6.649) 6.763 1.673 ( -3.137 0.319 -4.897) 5.824 2.438 ( -19.275 9.747 2.920) 21.795 2.498 ( -6.822 3.127 4.642) 8.824 2.662 ( -31.987 2.701 -2.072) 32.168 2.759 ( -14.547 -3.680 0.363) 15.009 2.995 ( -6.595 -0.027 -3.099) 7.287 3.134 ( -5.812 -0.995 -10.033) 11.638 3.472 ( -13.858 -0.477 -0.924) 13.896 3.507 ( -9.977 -1.060 1.731) 10.181 3.664 ( -5.068 0.589 6.261) 8.077 3.771 ( -13.061 -2.043 -1.647) 13.322 4.008 ( -15.572 0.131 3.307) 15.920 4.180 ( -14.537 -2.414 8.655) 17.090 4.492 ( -1.644 0.757 -2.184) 2.837 4.816 ( 1.507 0.080 -4.163) 4.428 5.279 ( 6.414 0.904 -1.530) 6.656 5.431 ( 6.384 0.716 -7.595) 9.948 5.890 ( 11.986 1.909 7.506) 14.270 6.165 ( 9.324 2.558 -1.203) 9.743 6.394 ( 10.383 -1.382 1.943) 10.654 6.590 ( 12.550 -2.256 -2.544) 13.003 8.804 ( -11.397 -0.165 1.013) 11.443 8.885 ( -10.073 -0.238 -0.937) 10.119 9.310 ( 9.556 0.054 0.016) 9.556 9.319 ( 7.688 -0.291 -0.252) 7.697 9.679 ( 5.776 0.070 0.848) 5.838 9.747 ( 7.085 -0.475 -0.846) 7.151 10.016 ( -5.436 -0.540 1.260) 5.606 10.107 ( -5.547 -0.523 -0.963) 5.654 ======================= Grid point 331 (125/192) ======================= q-point: (-0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 5.108 4.119 5.310) 8.441 1.691 ( 1.667 0.247 -5.109) 5.380 1.838 ( -26.502 8.480 1.240) 27.854 1.984 ( -28.920 2.359 -1.757) 29.069 2.416 ( -1.657 9.531 5.465) 11.111 2.685 ( 0.607 5.955 2.630) 6.538 2.962 ( 0.957 0.866 -5.922) 6.061 3.104 ( 0.151 -3.320 -5.480) 6.409 3.231 ( -10.977 -2.370 -1.784) 11.371 3.303 ( -10.611 -0.645 -6.338) 12.377 3.574 ( -6.596 -1.141 2.407) 7.113 3.615 ( -3.879 -1.776 2.591) 4.992 3.748 ( -10.411 0.640 6.282) 12.176 4.002 ( -6.794 -6.426 12.044) 15.248 4.472 ( -0.174 1.143 -3.739) 3.914 4.847 ( 1.528 0.031 -5.293) 5.509 5.376 ( 4.245 1.593 -0.933) 4.629 5.514 ( 3.280 1.747 -5.228) 6.414 6.056 ( 7.204 5.000 6.106) 10.686 6.265 ( 4.440 5.752 1.154) 7.357 6.605 ( 8.505 -3.306 0.848) 9.165 6.846 ( 11.156 -6.278 -4.264) 13.493 8.608 ( -8.573 -0.447 1.043) 8.647 8.703 ( -8.042 -0.141 -1.280) 8.144 9.443 ( 5.217 0.041 0.384) 5.231 9.475 ( 6.957 -0.573 -0.375) 6.990 9.731 ( -1.015 -0.260 1.497) 1.827 9.845 ( 2.058 -0.337 -1.389) 2.506 9.939 ( -2.032 -0.955 0.935) 2.433 9.998 ( -4.826 -0.300 -0.403) 4.852 ======================= Grid point 332 (126/192) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.000 6.610 4.541) 8.019 1.459 ( 0.000 10.030 2.241) 10.277 1.630 ( 0.000 6.032 -1.993) 6.353 1.762 ( 0.000 1.108 -8.595) 8.666 2.345 ( 0.000 9.051 7.284) 11.618 2.627 ( 0.000 14.780 3.331) 15.151 2.995 ( -0.000 -1.563 -8.422) 8.565 3.104 ( -0.000 -1.582 0.369) 1.625 3.130 ( -0.000 -2.699 -0.266) 2.712 3.219 ( -0.000 -2.071 -10.662) 10.861 3.508 ( -0.000 -2.336 0.825) 2.478 3.578 ( -0.000 -1.523 -0.882) 1.760 3.655 ( -0.000 -0.243 11.372) 11.375 3.992 ( -0.000 -8.230 11.910) 14.477 4.464 ( 0.000 0.911 -4.410) 4.503 4.863 ( 0.000 0.023 -4.889) 4.890 5.406 ( 0.000 2.114 -1.046) 2.359 5.532 ( 0.000 2.319 -4.765) 5.299 6.084 ( 0.000 7.359 5.560) 9.223 6.264 ( 0.000 7.199 1.689) 7.395 6.713 ( -0.000 -4.047 1.545) 4.332 7.032 ( -0.000 -10.592 -6.214) 12.280 8.522 ( -0.000 -0.423 1.073) 1.154 8.621 ( 0.000 0.082 -1.387) 1.390 9.497 ( 0.000 0.012 0.938) 0.938 9.558 ( -0.000 -1.162 -0.682) 1.347 9.697 ( 0.000 0.188 1.838) 1.847 9.833 ( 0.000 0.849 -1.533) 1.753 9.937 ( -0.000 -1.070 0.628) 1.241 9.968 ( -0.000 -0.542 0.083) 0.548 ======================= Grid point 345 (127/192) ======================= q-point: (-0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 5.546 0.000 5.609) 7.888 1.691 ( 2.037 0.000 -4.188) 4.657 1.899 ( -27.405 -0.000 0.821) 27.417 1.995 ( -28.879 -0.000 -1.100) 28.900 2.491 ( -2.350 -0.000 4.261) 4.866 2.704 ( 1.763 0.000 3.157) 3.615 2.992 ( 3.177 0.000 -4.155) 5.230 3.068 ( -0.477 -0.000 -8.740) 8.753 3.213 ( -11.307 -0.000 -1.187) 11.369 3.298 ( -11.267 -0.000 -7.215) 13.380 3.566 ( -7.853 -0.000 1.378) 7.973 3.604 ( -2.685 -0.000 2.885) 3.941 3.757 ( -9.911 -0.000 6.891) 12.071 3.954 ( -7.471 -0.000 13.507) 15.435 4.481 ( -0.203 -0.000 -3.614) 3.620 4.847 ( 1.482 0.000 -6.372) 6.542 5.387 ( 4.188 0.000 -0.554) 4.225 5.526 ( 3.341 0.000 -4.645) 5.721 6.091 ( 7.662 0.000 6.369) 9.964 6.306 ( 4.599 0.000 1.468) 4.828 6.583 ( 9.005 0.000 -0.088) 9.005 6.799 ( 9.423 0.000 -4.011) 10.242 8.605 ( -8.540 -0.000 1.056) 8.605 8.702 ( -7.935 -0.000 -1.324) 8.044 9.444 ( 5.216 0.000 0.333) 5.226 9.471 ( 6.891 0.000 -0.323) 6.899 9.729 ( -0.956 -0.000 1.540) 1.813 9.843 ( 2.357 0.000 -1.327) 2.705 9.932 ( -1.916 -0.000 0.982) 2.153 9.996 ( -4.669 -0.000 -0.518) 4.697 ======================= Grid point 347 (128/192) ======================= q-point: (-0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.000 2.451 5.322) 5.860 1.551 ( 0.000 3.801 1.750) 4.185 1.682 ( 0.000 1.923 -1.482) 2.427 1.764 ( -0.000 -0.241 -5.691) 5.696 2.451 ( 0.000 5.732 4.599) 7.349 2.726 ( 0.000 1.219 3.613) 3.813 3.025 ( 0.000 5.786 -7.901) 9.793 3.086 ( -0.000 -0.910 0.240) 0.941 3.107 ( -0.000 -0.793 -0.291) 0.844 3.165 ( -0.000 -5.424 -14.412) 15.399 3.487 ( -0.000 -0.839 0.967) 1.280 3.565 ( -0.000 -0.514 -0.941) 1.072 3.665 ( 0.000 1.184 11.280) 11.342 3.903 ( -0.000 -4.446 14.608) 15.270 4.477 ( 0.000 0.708 -4.161) 4.221 4.863 ( -0.000 -0.050 -6.986) 6.986 5.425 ( 0.000 0.779 -0.175) 0.798 5.555 ( 0.000 0.979 -3.653) 3.782 6.156 ( 0.000 3.166 5.931) 6.723 6.339 ( 0.000 3.395 2.425) 4.172 6.680 ( -0.000 -0.892 -0.601) 1.075 6.916 ( -0.000 -5.858 -5.062) 7.742 8.518 ( -0.000 -0.145 1.115) 1.124 8.622 ( 0.000 0.026 -1.457) 1.458 9.498 ( 0.000 0.035 0.774) 0.775 9.547 ( -0.000 -0.443 -0.545) 0.703 9.699 ( 0.000 0.070 1.924) 1.925 9.840 ( 0.000 0.292 -1.592) 1.619 9.927 ( -0.000 -0.411 0.679) 0.794 9.963 ( -0.000 -0.181 -0.119) 0.216 ======================= Grid point 462 (129/192) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 0.000 13.626) 13.626 0.793 ( 0.000 0.000 -10.384) 10.384 0.843 ( 0.000 0.000 21.128) 21.128 1.179 ( 0.000 0.000 -8.451) 8.451 1.419 ( 0.000 0.000 22.833) 22.833 1.921 ( 0.000 0.000 -24.292) 24.292 2.926 ( 0.000 0.000 7.747) 7.747 3.061 ( 0.000 0.000 -6.792) 6.792 3.216 ( 0.000 0.000 2.998) 2.998 3.272 ( 0.000 0.000 -2.831) 2.831 3.723 ( 0.000 0.000 0.442) 0.442 3.732 ( 0.000 0.000 -0.415) 0.415 4.186 ( 0.000 0.000 8.100) 8.100 4.327 ( 0.000 0.000 -6.943) 6.943 4.946 ( 0.000 0.000 -1.599) 1.599 4.947 ( 0.000 0.000 -1.299) 1.299 5.085 ( 0.000 0.000 5.419) 5.419 5.166 ( 0.000 0.000 -2.779) 2.779 5.868 ( 0.000 0.000 2.571) 2.571 5.929 ( 0.000 0.000 -3.990) 3.990 6.766 ( 0.000 0.000 6.007) 6.007 6.864 ( 0.000 0.000 -4.418) 4.418 8.589 ( 0.000 0.000 0.006) 0.006 8.589 ( 0.000 0.000 0.006) 0.006 9.593 ( 0.000 0.000 0.117) 0.117 9.595 ( 0.000 0.000 -0.087) 0.087 9.708 ( 0.000 0.000 0.448) 0.448 9.717 ( 0.000 0.000 -0.456) 0.456 10.006 ( 0.000 0.000 2.036) 2.036 10.046 ( 0.000 0.000 -2.056) 2.056 ======================= Grid point 463 (130/192) ======================= q-point: ( 0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 3.872 2.050 18.771) 19.276 0.992 ( 16.770 -4.892 11.149) 20.724 1.215 ( 25.638 -0.292 -8.998) 27.173 1.240 ( 18.890 -2.406 -10.799) 21.892 1.548 ( 17.002 -6.353 19.702) 26.788 1.935 ( 2.316 -3.378 -18.751) 19.193 2.840 ( -4.126 -0.430 6.768) 7.938 2.975 ( -5.033 -0.444 -7.494) 9.039 3.331 ( 10.149 0.112 3.503) 10.737 3.399 ( 10.593 0.373 -3.588) 11.190 3.825 ( 8.378 1.099 1.488) 8.579 3.843 ( 9.535 0.853 -0.766) 9.603 4.200 ( 3.344 3.005 6.103) 7.580 4.280 ( -1.379 2.730 -2.071) 3.693 4.864 ( -5.619 2.401 2.088) 6.457 4.915 ( -4.761 -3.844 -3.765) 7.184 5.012 ( -4.188 -0.048 6.188) 7.472 5.123 ( -4.216 -1.303 -4.634) 6.399 5.839 ( -2.015 0.602 2.545) 3.302 5.899 ( -3.024 -0.920 -3.933) 5.045 6.690 ( -7.831 -2.318 4.268) 9.215 6.746 ( -9.426 -2.392 -1.405) 9.825 8.688 ( 8.704 0.400 0.578) 8.732 8.693 ( 9.121 -0.236 -0.006) 9.124 9.472 ( -6.555 0.049 1.103) 6.647 9.488 ( -7.162 -0.045 -0.607) 7.187 9.803 ( 1.429 0.228 2.407) 2.809 9.862 ( 1.395 0.318 -3.796) 4.057 10.052 ( 6.352 0.244 4.152) 7.593 10.163 ( 12.478 1.152 -8.420) 15.097 ======================= Grid point 464 (131/192) ======================= q-point: ( 0.13 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 13.223 0.131 13.438) 18.853 1.142 ( 6.695 -6.359 4.066) 10.090 1.481 ( 10.796 -5.098 1.152) 11.995 1.669 ( 8.288 -6.369 -13.249) 16.876 2.218 ( 37.548 -2.366 2.762) 37.724 2.248 ( 32.050 -3.366 -0.402) 32.229 2.869 ( 6.744 -3.177 4.353) 8.633 2.996 ( 8.687 -2.088 -8.347) 12.227 3.537 ( 10.119 -0.338 3.439) 10.693 3.600 ( 9.534 0.022 -2.998) 9.995 3.938 ( 4.949 2.690 6.837) 8.859 4.011 ( 8.976 1.966 -1.613) 9.330 4.297 ( 8.979 3.830 1.626) 9.896 4.333 ( 7.915 1.378 -1.271) 8.134 4.775 ( -1.912 0.956 4.217) 4.728 4.862 ( -2.952 -4.868 -4.738) 7.407 4.941 ( -3.315 0.346 4.530) 5.624 5.051 ( -3.777 -0.621 -6.297) 7.369 5.796 ( -2.111 0.728 1.975) 2.981 5.842 ( -3.561 -1.346 -3.030) 4.866 6.533 ( -9.353 -1.039 3.876) 10.177 6.589 ( -8.810 -1.765 -2.059) 9.218 8.869 ( 9.985 0.145 1.401) 10.084 8.890 ( 10.629 -0.046 -0.840) 10.662 9.334 ( -8.146 0.134 0.344) 8.154 9.339 ( -8.622 0.018 -0.187) 8.624 9.733 ( -6.883 0.281 3.271) 7.626 9.796 ( -6.114 0.427 -3.239) 6.932 10.185 ( 5.858 1.086 6.252) 8.637 10.328 ( 5.060 2.482 -8.836) 10.481 ======================= Grid point 465 (132/192) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 23.051 -2.953 7.985) 24.573 1.436 ( 19.728 -6.535 1.299) 20.823 1.765 ( 16.256 -5.880 0.587) 17.296 1.851 ( 10.093 -6.150 -6.938) 13.705 2.710 ( 17.183 -2.423 4.314) 17.882 2.831 ( 16.471 -1.816 -8.545) 18.644 3.248 ( 31.303 -4.463 7.123) 32.412 3.375 ( 27.054 -2.572 -5.779) 27.783 3.687 ( 5.640 -1.119 2.441) 6.247 3.737 ( 5.422 -1.459 -2.248) 6.049 4.022 ( 6.199 2.774 10.535) 12.534 4.171 ( 9.765 3.469 -4.536) 11.313 4.449 ( 7.688 1.417 -0.254) 7.821 4.480 ( 8.003 0.706 -2.711) 8.479 4.764 ( -1.395 -0.239 7.267) 7.403 4.868 ( -0.269 -4.735 -2.959) 5.590 4.926 ( 3.989 1.399 1.625) 4.529 5.007 ( 0.723 1.025 -7.195) 7.304 5.751 ( -2.060 1.049 1.565) 2.792 5.783 ( -3.199 -0.334 -1.933) 3.753 6.363 ( -8.620 0.346 4.371) 9.671 6.435 ( -8.029 -0.462 -3.251) 8.675 8.985 ( -2.644 0.050 1.444) 3.013 9.017 ( -2.797 0.047 -2.029) 3.455 9.211 ( 0.444 0.367 1.010) 1.163 9.224 ( 1.063 -0.043 -0.476) 1.165 9.578 ( -8.681 0.307 4.406) 9.740 9.656 ( -7.825 0.620 -3.790) 8.716 10.234 ( 0.270 1.343 5.114) 5.295 10.340 ( -1.454 2.450 -5.928) 6.577 ======================= Grid point 466 (133/192) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 21.889 -6.841 5.672) 23.624 1.911 ( 22.554 -8.212 -1.687) 24.062 2.160 ( 22.581 -1.855 1.086) 22.683 2.201 ( 25.183 -2.506 -2.907) 25.474 2.971 ( 10.282 -2.349 3.041) 10.976 3.062 ( 9.218 -1.543 -6.710) 11.506 3.654 ( 2.562 -2.231 2.630) 4.297 3.684 ( 2.604 -2.367 -0.472) 3.551 3.927 ( 14.147 -3.008 1.802) 14.575 3.972 ( 16.022 -3.916 -2.776) 16.726 4.185 ( 16.960 2.572 8.205) 19.016 4.323 ( 8.416 2.901 -5.734) 10.589 4.586 ( 8.665 0.525 3.404) 9.325 4.637 ( 7.452 -0.690 0.456) 7.498 4.729 ( 1.811 -1.360 4.236) 4.803 4.886 ( 1.146 -2.403 -9.562) 9.926 5.048 ( 8.132 1.817 2.034) 8.577 5.093 ( 7.585 2.349 -2.900) 8.454 5.708 ( -1.259 1.592 1.620) 2.597 5.734 ( -1.119 1.838 -1.211) 2.469 6.214 ( -6.414 1.125 5.167) 8.313 6.304 ( -5.562 0.421 -4.313) 7.051 8.778 ( -15.226 0.226 0.937) 15.257 8.802 ( -15.493 0.296 -1.624) 15.580 9.314 ( 4.667 0.342 2.035) 5.103 9.345 ( 7.101 -0.198 -1.330) 7.227 9.436 ( -4.087 0.227 4.180) 5.851 9.513 ( -6.022 0.482 -3.745) 7.108 10.187 ( -4.061 1.091 3.490) 5.464 10.258 ( -5.357 2.005 -3.862) 6.902 ======================= Grid point 467 (134/192) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 19.133 -7.424 3.852) 20.881 2.333 ( 17.297 -8.300 -2.590) 19.359 2.662 ( 27.516 1.992 3.536) 27.814 2.729 ( 27.340 0.400 -2.998) 27.507 3.152 ( 7.941 -1.459 2.686) 8.509 3.221 ( 7.357 -0.709 -4.729) 8.774 3.632 ( -4.611 -3.546 1.878) 6.113 3.680 ( -4.242 -3.990 -2.858) 6.488 4.075 ( 4.412 -3.455 6.766) 8.786 4.177 ( 4.857 -2.673 -4.045) 6.863 4.392 ( 1.173 1.467 1.336) 2.305 4.401 ( 0.040 0.466 0.184) 0.502 4.691 ( 5.592 0.083 5.325) 7.723 4.803 ( 6.088 -0.182 -5.135) 7.967 4.990 ( 20.172 -0.933 0.982) 20.217 5.045 ( 14.333 0.900 -5.193) 15.271 5.167 ( 6.486 2.050 1.884) 7.059 5.207 ( 6.110 1.628 -2.179) 6.688 5.704 ( 2.711 2.574 1.804) 4.151 5.731 ( 2.774 2.392 -1.181) 3.849 6.114 ( -3.226 1.289 6.478) 7.350 6.225 ( -2.433 1.040 -5.155) 5.795 8.464 ( -17.174 0.307 0.716) 17.192 8.482 ( -17.515 0.385 -1.189) 17.560 9.279 ( -3.766 -0.175 4.525) 5.890 9.360 ( -3.810 0.330 -3.930) 5.484 9.491 ( 5.371 0.194 1.398) 5.553 9.516 ( 4.634 -0.321 -1.094) 4.772 10.079 ( -6.339 0.696 2.145) 6.728 10.124 ( -7.255 1.554 -2.483) 7.824 ======================= Grid point 468 (135/192) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 17.378 -4.419 2.210) 18.066 2.692 ( 16.273 -4.641 -1.880) 17.026 3.043 ( 12.103 1.731 4.109) 12.898 3.112 ( 10.554 -0.239 -2.940) 10.958 3.311 ( 8.202 -0.991 3.430) 8.945 3.387 ( 8.725 -0.135 -4.103) 9.643 3.557 ( -4.031 -3.276 1.749) 5.481 3.611 ( -3.624 -2.788 -3.471) 5.740 4.187 ( 4.373 -2.832 6.023) 7.963 4.253 ( 2.004 -1.736 -1.093) 2.868 4.338 ( -2.734 0.539 2.383) 3.667 4.387 ( -0.438 -1.708 -2.654) 3.186 4.771 ( 2.895 0.693 3.018) 4.239 4.871 ( 1.862 0.360 -7.032) 7.283 5.173 ( 3.301 3.765 1.172) 5.143 5.195 ( 3.091 3.069 -0.737) 4.418 5.378 ( 11.237 -0.971 -0.846) 11.311 5.387 ( 9.822 -1.566 -1.786) 10.105 5.778 ( 6.828 2.060 2.545) 7.573 5.822 ( 7.709 2.039 -2.020) 8.226 6.075 ( -0.276 0.897 7.327) 7.387 6.190 ( -0.665 1.447 -4.900) 5.153 8.156 ( -14.269 0.318 0.441) 14.280 8.167 ( -14.597 0.255 -0.694) 14.616 9.237 ( -0.923 -0.460 3.866) 4.001 9.306 ( -1.359 -0.196 -3.394) 3.661 9.562 ( 1.965 0.153 1.101) 2.258 9.582 ( 1.567 -0.241 -0.933) 1.839 9.959 ( -5.338 0.356 1.047) 5.451 9.983 ( -6.086 1.154 -1.404) 6.352 ======================= Grid point 469 (136/192) ======================= q-point: ( 0.47 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 12.128 -0.243 1.298) 12.200 2.986 ( 11.448 -0.536 -1.662) 11.580 3.141 ( 0.741 -0.000 2.849) 2.944 3.185 ( -0.965 -0.523 -1.476) 1.840 3.345 ( -4.616 -2.924 1.478) 5.660 3.382 ( -6.111 -4.251 -2.454) 7.838 3.607 ( 4.781 2.270 2.777) 5.977 3.657 ( 4.478 1.633 -2.370) 5.324 4.224 ( 0.207 -0.762 3.981) 4.059 4.271 ( -1.541 0.551 -0.722) 1.789 4.340 ( 2.475 -1.041 4.454) 5.201 4.433 ( 2.086 -1.733 -4.552) 5.299 4.801 ( 0.862 0.325 2.375) 2.547 4.887 ( 0.363 0.186 -6.241) 6.254 5.194 ( 1.033 1.519 0.711) 1.969 5.214 ( 0.820 1.132 -0.822) 1.622 5.495 ( 2.340 -0.632 -1.085) 2.656 5.501 ( 2.006 -0.073 -1.694) 2.627 5.898 ( 4.734 0.653 2.248) 5.281 5.934 ( 3.528 0.816 -1.404) 3.883 6.081 ( 0.865 0.251 6.214) 6.279 6.172 ( -0.448 0.804 -3.444) 3.565 7.957 ( -5.788 0.178 0.423) 5.807 7.966 ( -5.719 0.030 -0.603) 5.751 9.239 ( 0.421 -0.257 3.640) 3.674 9.305 ( 0.469 -0.289 -3.209) 3.256 9.569 ( -0.417 0.141 0.583) 0.730 9.580 ( -1.121 -0.059 -0.605) 1.275 9.892 ( -1.628 0.075 0.340) 1.665 9.901 ( -1.889 0.475 -0.605) 2.040 ======================= Grid point 478 (137/192) ======================= q-point: ( 0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 12.921 0.000 11.490) 17.291 1.086 ( 6.639 0.000 10.467) 12.395 1.450 ( 10.543 0.000 -1.516) 10.651 1.626 ( 8.856 0.000 -14.355) 16.868 2.202 ( 42.907 0.000 2.434) 42.976 2.226 ( 28.818 0.000 -0.141) 28.819 2.847 ( 6.336 0.000 4.774) 7.933 2.982 ( 8.410 0.000 -8.727) 12.119 3.535 ( 9.905 0.000 3.546) 10.520 3.600 ( 9.236 0.000 -3.158) 9.761 3.957 ( 4.953 0.000 7.005) 8.579 4.023 ( 9.120 0.000 -1.041) 9.179 4.332 ( 6.477 0.000 -0.037) 6.478 4.334 ( 8.944 0.000 0.712) 8.972 4.793 ( -1.806 -0.000 0.843) 1.993 4.813 ( -3.280 -0.000 -2.386) 4.056 4.945 ( -3.093 -0.000 4.207) 5.222 5.048 ( -3.204 -0.000 -5.537) 6.397 5.804 ( -1.853 -0.000 0.909) 2.064 5.831 ( -3.549 -0.000 -2.118) 4.133 6.526 ( -8.602 -0.000 3.619) 9.332 6.577 ( -8.127 -0.000 -1.712) 8.305 8.870 ( 9.897 0.000 1.348) 9.988 8.890 ( 10.642 0.000 -0.763) 10.670 9.335 ( -8.080 -0.000 0.307) 8.086 9.339 ( -8.624 -0.000 -0.136) 8.625 9.735 ( -6.916 -0.000 3.328) 7.675 9.799 ( -6.115 -0.000 -3.282) 6.940 10.192 ( 5.902 0.000 6.620) 8.869 10.344 ( 4.818 0.000 -9.477) 10.632 ======================= Grid point 479 (138/192) ======================= q-point: ( 0.13 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 20.371 -0.772 7.168) 21.609 1.370 ( 21.252 -3.151 3.503) 21.768 1.715 ( 17.864 -1.918 -0.217) 17.968 1.800 ( 12.305 -1.880 -7.964) 14.777 2.690 ( 17.131 -0.772 4.839) 17.818 2.815 ( 16.833 -0.625 -8.581) 18.904 3.206 ( 32.323 -1.802 7.929) 33.330 3.350 ( 27.616 -1.060 -6.808) 28.462 3.677 ( 5.492 -0.375 2.232) 5.940 3.724 ( 4.456 -0.502 -2.217) 5.003 4.050 ( 5.832 1.246 11.870) 13.284 4.203 ( 10.144 1.358 -3.659) 10.869 4.466 ( 6.249 1.225 -1.686) 6.587 4.480 ( 6.691 -0.683 -2.649) 7.229 4.766 ( -2.341 0.502 4.164) 4.803 4.818 ( 1.494 -2.563 -1.451) 3.302 4.939 ( 4.508 0.604 1.932) 4.942 5.017 ( 1.360 0.425 -6.046) 6.211 5.764 ( -2.299 0.928 0.394) 2.510 5.777 ( -1.995 -0.614 -0.945) 2.291 6.366 ( -8.137 0.139 3.929) 9.037 6.430 ( -7.435 -0.245 -2.815) 7.954 8.985 ( -2.597 0.006 1.418) 2.959 9.017 ( -2.664 0.003 -2.060) 3.368 9.215 ( 0.519 0.152 0.820) 0.982 9.224 ( 0.822 -0.048 -0.250) 0.860 9.581 ( -8.730 0.111 4.576) 9.857 9.662 ( -7.860 0.214 -3.913) 8.782 10.246 ( 0.069 0.489 5.590) 5.612 10.362 ( -1.934 0.895 -6.498) 6.839 ======================= Grid point 480 (139/192) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 21.171 -4.265 4.138) 21.989 1.821 ( 21.617 -5.192 -1.955) 22.318 2.151 ( 26.524 0.166 0.973) 26.542 2.177 ( 27.194 -1.472 -1.566) 27.279 2.947 ( 10.895 -1.269 3.642) 11.558 3.047 ( 9.699 -0.841 -6.941) 11.956 3.628 ( 3.504 -1.542 2.741) 4.708 3.662 ( 1.494 -1.061 -0.781) 1.992 3.894 ( 12.592 -1.939 1.514) 12.830 3.930 ( 18.046 -2.348 -2.377) 18.353 4.217 ( 16.493 2.068 8.931) 18.870 4.358 ( 6.832 2.247 -5.323) 8.948 4.588 ( 9.972 -0.066 2.501) 10.281 4.628 ( 6.034 -0.728 1.104) 6.177 4.713 ( 1.340 -0.977 3.048) 3.470 4.856 ( 2.103 -1.798 -9.331) 9.733 5.072 ( 8.372 1.508 2.138) 8.771 5.117 ( 8.015 1.284 -2.905) 8.621 5.724 ( -0.910 0.849 1.815) 2.201 5.753 ( -0.446 1.016 -1.307) 1.714 6.225 ( -6.295 0.625 4.683) 7.871 6.307 ( -5.326 0.115 -3.919) 6.613 8.780 ( -15.181 0.110 0.927) 15.210 8.805 ( -15.441 0.143 -1.717) 15.537 9.318 ( 4.528 0.273 1.833) 4.893 9.342 ( 7.240 -0.199 -0.898) 7.299 9.438 ( -4.095 0.123 4.230) 5.888 9.518 ( -6.450 0.228 -3.909) 7.545 10.198 ( -4.354 0.630 3.964) 5.922 10.279 ( -5.792 1.150 -4.373) 7.348 ======================= Grid point 481 (140/192) ======================= q-point: ( 0.27 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 20.568 -5.167 2.756) 21.386 2.239 ( 19.324 -5.945 -2.715) 20.399 2.688 ( 28.291 1.837 2.910) 28.500 2.732 ( 28.048 0.033 -1.450) 28.086 3.137 ( 8.756 -0.876 3.167) 9.352 3.214 ( 8.211 -0.365 -5.076) 9.661 3.594 ( -5.415 -2.296 1.518) 6.075 3.637 ( -4.362 -2.595 -2.717) 5.757 4.034 ( 4.390 -2.691 6.941) 8.643 4.142 ( 4.682 -2.424 -4.646) 7.027 4.410 ( 0.524 1.212 1.483) 1.986 4.415 ( -0.737 1.315 1.178) 1.913 4.694 ( 6.260 0.311 4.942) 7.982 4.798 ( 6.240 -0.490 -4.562) 7.745 4.975 ( 20.664 -1.098 1.130) 20.724 5.040 ( 16.415 -1.129 -6.619) 17.736 5.196 ( 6.166 2.139 2.070) 6.847 5.236 ( 5.123 2.211 -2.034) 5.939 5.734 ( 3.019 1.902 1.851) 4.020 5.756 ( 2.223 1.399 -0.759) 2.734 6.127 ( -3.446 0.812 6.093) 7.046 6.234 ( -2.274 0.453 -5.022) 5.532 8.467 ( -17.168 0.208 0.709) 17.184 8.486 ( -17.532 0.256 -1.292) 17.582 9.278 ( -3.989 -0.045 4.868) 6.294 9.364 ( -4.065 0.254 -4.150) 5.815 9.493 ( 5.275 0.143 1.050) 5.381 9.511 ( 4.598 -0.412 -0.735) 4.675 10.087 ( -6.570 0.540 2.633) 7.098 10.142 ( -7.543 1.158 -3.011) 8.203 ======================= Grid point 482 (141/192) ======================= q-point: ( 0.33 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 19.778 -3.880 1.861) 20.241 2.634 ( 18.904 -4.127 -1.895) 19.442 3.065 ( 10.841 1.565 2.894) 11.329 3.109 ( 9.746 -0.313 -1.569) 9.876 3.300 ( 6.232 -0.761 3.495) 7.185 3.379 ( 3.358 -1.121 -4.203) 5.495 3.531 ( 3.273 -0.836 1.841) 3.847 3.586 ( 0.842 -1.035 -3.489) 3.735 4.147 ( 5.226 -3.092 5.597) 8.259 4.223 ( 2.706 -2.770 -2.537) 4.630 4.347 ( -3.057 0.675 2.679) 4.120 4.379 ( -1.738 0.120 -0.415) 1.791 4.781 ( 2.952 0.861 2.314) 3.848 4.873 ( 2.088 0.067 -6.993) 7.299 5.204 ( 2.517 1.162 1.738) 3.272 5.234 ( 2.241 2.773 -1.504) 3.870 5.364 ( 9.858 -0.948 -0.715) 9.930 5.378 ( 11.777 0.028 -1.821) 11.917 5.802 ( 5.828 1.586 2.600) 6.576 5.845 ( 7.185 1.434 -1.737) 7.530 6.085 ( -0.634 0.651 7.474) 7.529 6.206 ( -0.664 0.941 -5.227) 5.352 8.160 ( -14.280 0.254 0.375) 14.288 8.170 ( -14.765 0.221 -0.699) 14.783 9.232 ( -0.920 -0.286 4.067) 4.180 9.304 ( -1.647 -0.149 -3.463) 3.838 9.564 ( 1.932 0.064 0.830) 2.103 9.579 ( 1.660 -0.317 -0.681) 1.822 9.964 ( -5.497 0.391 1.523) 5.717 9.998 ( -6.366 1.054 -1.931) 6.735 ======================= Grid point 483 (142/192) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 14.010 -0.883 1.409) 14.108 2.978 ( 13.636 -0.666 -1.537) 13.738 3.141 ( 0.025 -0.053 2.368) 2.369 3.180 ( -1.205 -0.324 -1.359) 1.845 3.303 ( -2.717 -3.350 0.741) 4.377 3.319 ( -4.128 -4.742 -1.086) 6.381 3.653 ( 4.556 4.318 1.576) 6.472 3.688 ( 4.222 2.915 -2.004) 5.508 4.211 ( 0.557 -1.114 4.704) 4.866 4.274 ( -0.166 -0.477 -1.979) 2.043 4.333 ( 2.644 -0.041 4.740) 5.428 4.414 ( 4.113 -1.329 -3.518) 5.573 4.803 ( 0.046 0.020 1.951) 1.952 4.886 ( -0.219 -0.034 -6.601) 6.605 5.207 ( -1.021 0.385 0.960) 1.453 5.227 ( -0.792 0.982 -0.889) 1.543 5.487 ( 2.970 -0.504 -0.622) 3.076 5.503 ( 2.476 0.204 -2.095) 3.250 5.905 ( 3.824 0.461 2.366) 4.520 5.942 ( 2.285 0.427 -1.287) 2.657 6.087 ( 0.755 0.547 6.379) 6.447 6.183 ( -1.169 0.863 -3.790) 4.059 7.959 ( -6.001 0.186 0.303) 6.012 7.967 ( -5.779 0.015 -0.504) 5.801 9.237 ( 0.756 -0.132 3.620) 3.700 9.301 ( 0.693 -0.289 -3.091) 3.181 9.570 ( -0.491 0.084 0.421) 0.652 9.579 ( -1.068 -0.136 -0.484) 1.180 9.893 ( -1.761 0.174 0.610) 1.872 9.908 ( -2.377 0.602 -0.912) 2.616 ======================= Grid point 484 (143/192) ======================= q-point: (-0.53 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -10.302 -0.396 1.525) 10.422 2.991 ( -10.055 0.183 -2.015) 10.256 3.142 ( -1.415 0.170 3.486) 3.766 3.194 ( 1.133 0.815 -1.724) 2.219 3.371 ( 6.745 0.948 1.618) 7.001 3.412 ( 9.397 0.155 -2.585) 9.747 3.608 ( -5.893 2.210 2.327) 6.710 3.652 ( -4.538 1.132 -2.077) 5.117 4.229 ( 0.173 0.039 3.122) 3.127 4.267 ( 1.070 -0.012 -0.351) 1.126 4.358 ( -0.876 1.580 5.081) 5.393 4.459 ( 0.269 2.261 -4.792) 5.305 4.792 ( -1.448 -1.091 2.502) 3.090 4.879 ( -0.873 -0.936 -6.156) 6.288 5.170 ( -3.202 -2.054 0.878) 3.904 5.197 ( -2.600 -1.543 -1.345) 3.309 5.501 ( -1.590 0.350 -0.945) 1.883 5.507 ( -1.513 0.736 -1.598) 2.320 5.888 ( -5.647 -0.714 2.103) 6.068 5.921 ( -4.651 -1.092 -1.249) 4.938 6.081 ( -1.217 0.189 5.702) 5.834 6.163 ( -0.580 -0.627 -3.008) 3.127 7.954 ( 5.586 -0.146 0.523) 5.612 7.966 ( 5.652 -0.034 -0.681) 5.693 9.243 ( -0.073 0.359 3.570) 3.588 9.309 ( -0.195 0.232 -3.216) 3.230 9.567 ( 0.284 -0.200 0.724) 0.803 9.581 ( 1.141 -0.022 -0.720) 1.349 9.891 ( 1.590 -0.043 0.166) 1.600 9.896 ( 1.319 -0.144 -0.400) 1.386 ======================= Grid point 485 (144/192) ======================= q-point: (-0.47 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -14.329 3.938 2.500) 15.069 2.749 ( -13.237 3.986 -1.824) 13.944 3.022 ( -13.459 -1.554 5.266) 14.536 3.115 ( -11.717 0.272 -4.342) 12.499 3.324 ( -8.727 0.977 2.856) 9.235 3.384 ( -10.151 -0.503 -3.136) 10.636 3.612 ( 7.315 4.995 1.285) 8.951 3.659 ( 6.978 4.557 -3.269) 8.952 4.214 ( -2.639 1.104 5.633) 6.317 4.268 ( -1.785 0.653 -0.488) 1.963 4.338 ( 2.059 0.907 3.548) 4.202 4.424 ( -0.364 3.805 -4.704) 6.062 4.762 ( -2.601 -0.835 3.374) 4.341 4.862 ( -1.887 -1.144 -6.530) 6.893 5.115 ( -5.209 -4.864 1.452) 7.273 5.151 ( -4.492 -3.916 -1.684) 6.192 5.395 ( -10.488 1.708 -0.153) 10.627 5.412 ( -8.293 2.119 -1.955) 8.780 5.750 ( -7.902 -2.234 2.418) 8.561 5.794 ( -8.420 -2.348 -2.162) 9.005 6.063 ( -0.330 -0.937 6.898) 6.969 6.168 ( 0.323 -1.892 -4.375) 4.778 8.152 ( 14.245 -0.325 0.533) 14.258 8.164 ( 14.405 -0.240 -0.703) 14.424 9.244 ( 0.953 0.612 3.559) 3.735 9.309 ( 1.048 0.206 -3.245) 3.416 9.560 ( -2.022 -0.286 1.366) 2.457 9.584 ( -1.520 0.084 -1.191) 1.933 9.956 ( 5.135 -0.218 0.555) 5.170 9.969 ( 5.797 -0.952 -0.835) 5.933 ======================= Grid point 486 (145/192) ======================= q-point: (-0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -17.664 8.017 5.212) 20.087 2.446 ( -14.733 8.957 -2.329) 17.399 2.638 ( -25.970 -1.722 3.776) 26.299 2.723 ( -26.392 -0.414 -4.526) 26.780 3.174 ( -7.157 1.886 2.040) 7.677 3.232 ( -6.448 0.967 -4.252) 7.784 3.685 ( 3.647 4.611 2.339) 6.327 3.738 ( 3.843 4.999 -2.940) 6.957 4.118 ( -4.624 2.941 6.254) 8.315 4.204 ( -5.146 1.460 -2.817) 6.045 4.376 ( -0.823 -0.870 1.884) 2.232 4.409 ( -1.129 1.876 -1.911) 2.906 4.692 ( -5.231 0.191 5.231) 7.400 4.802 ( -5.983 -0.398 -5.224) 7.953 4.986 ( -17.106 -2.244 -0.342) 17.256 5.009 ( -11.633 -4.487 -2.482) 12.713 5.154 ( -8.092 0.406 2.502) 8.479 5.206 ( -8.839 1.420 -3.141) 9.487 5.668 ( -2.537 -2.898 1.471) 4.123 5.696 ( -3.151 -2.987 -1.439) 4.574 6.095 ( 2.980 -1.647 6.643) 7.465 6.206 ( 2.572 -1.853 -5.119) 6.021 8.459 ( 17.164 -0.357 0.721) 17.182 8.476 ( 17.453 -0.463 -1.046) 17.490 9.283 ( 3.525 0.379 4.011) 5.354 9.355 ( 3.511 -0.341 -3.590) 5.034 9.488 ( -5.447 -0.328 1.695) 5.714 9.519 ( -4.791 0.089 -1.419) 4.997 10.070 ( 6.029 -0.668 1.584) 6.269 10.103 ( 6.878 -1.542 -1.849) 7.287 ======================= Grid point 487 (146/192) ======================= q-point: (-0.33 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -25.134 5.537 7.555) 26.823 2.019 ( -24.956 7.638 -1.920) 26.169 2.209 ( -16.317 6.107 0.571) 17.431 2.249 ( -19.543 5.288 -3.343) 20.520 3.006 ( -9.327 3.017 2.167) 10.040 3.085 ( -8.554 1.971 -6.317) 10.815 3.684 ( -2.816 2.469 3.052) 4.831 3.723 ( -3.536 3.391 -0.707) 4.950 3.965 ( -15.405 2.602 2.287) 15.790 4.022 ( -12.986 3.440 -3.246) 13.820 4.159 ( -18.351 -1.142 7.354) 19.802 4.290 ( -10.569 -1.928 -5.768) 12.194 4.575 ( -7.806 -0.981 3.893) 8.778 4.642 ( -9.393 -0.126 -1.674) 9.542 4.744 ( -2.134 0.846 6.508) 6.901 4.906 ( -0.174 0.239 -8.732) 8.737 5.034 ( -6.888 0.011 0.566) 6.911 5.063 ( -7.114 -1.830 -2.048) 7.625 5.683 ( 1.689 -2.247 1.417) 3.148 5.708 ( 2.377 -2.054 -1.293) 3.398 6.197 ( 6.621 -1.502 5.650) 8.833 6.295 ( 5.907 -1.050 -4.682) 7.611 8.775 ( 15.263 -0.336 0.944) 15.296 8.797 ( 15.538 -0.456 -1.470) 15.614 9.310 ( -4.931 -0.292 2.180) 5.399 9.347 ( -6.964 0.086 -1.756) 7.182 9.433 ( 4.115 -0.269 3.983) 5.733 9.505 ( 5.480 -0.759 -3.469) 6.530 10.171 ( 3.629 -1.286 2.838) 4.783 10.229 ( 4.726 -2.372 -3.138) 6.149 ======================= Grid point 488 (147/192) ======================= q-point: (-0.27 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -23.704 3.751 8.635) 25.505 1.525 ( -20.072 6.607 -2.541) 21.284 1.871 ( -12.923 10.573 2.682) 16.911 1.959 ( -7.648 10.279 -5.057) 13.774 2.752 ( -16.842 4.082 3.172) 17.617 2.862 ( -15.665 2.807 -8.294) 17.946 3.311 ( -29.735 4.846 5.806) 30.682 3.411 ( -26.343 2.790 -4.327) 26.842 3.706 ( -6.063 1.771 2.932) 6.964 3.760 ( -7.255 2.032 -1.888) 7.767 3.985 ( -6.872 -2.798 8.395) 11.204 4.120 ( -9.528 -4.032 -5.193) 11.576 4.427 ( -9.839 -2.026 0.574) 10.062 4.462 ( -9.514 -1.945 -2.461) 10.018 4.767 ( 0.710 -0.141 10.123) 10.149 4.902 ( -4.182 -1.854 0.842) 4.652 4.935 ( 1.695 4.854 -2.943) 5.924 4.998 ( 1.251 0.096 -9.026) 9.113 5.739 ( 2.850 -0.748 2.578) 3.915 5.787 ( 4.571 0.268 -2.644) 5.288 6.357 ( 9.425 -0.587 4.898) 10.638 6.439 ( 8.850 0.119 -3.802) 9.633 8.983 ( 2.713 -0.158 1.483) 3.096 9.015 ( 3.005 -0.189 -1.956) 3.591 9.205 ( -0.416 -0.512 1.266) 1.428 9.224 ( -1.393 -0.048 -0.806) 1.610 9.573 ( 8.588 -0.421 4.061) 9.509 9.646 ( 7.768 -0.962 -3.542) 8.591 10.212 ( -0.625 -1.877 4.294) 4.728 10.301 ( 0.652 -3.391 -4.939) 6.026 ======================= Grid point 489 (148/192) ======================= q-point: (-0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -13.134 4.225 13.019) 18.970 1.225 ( -7.129 6.277 -4.564) 10.538 1.588 ( -10.566 11.322 6.331) 16.730 1.781 ( -7.521 10.558 -10.775) 16.857 2.262 ( -30.552 4.341 3.471) 31.054 2.310 ( -33.808 6.050 -1.348) 34.371 2.924 ( -7.578 4.938 3.373) 9.654 3.032 ( -9.284 3.188 -7.258) 12.208 3.542 ( -10.819 0.420 3.164) 11.280 3.599 ( -10.412 -0.179 -2.559) 10.723 3.894 ( -5.073 -3.773 6.282) 8.913 3.975 ( -8.621 -3.254 -2.832) 9.640 4.240 ( -10.960 -4.772 2.880) 12.296 4.304 ( -8.513 -2.861 -2.819) 9.412 4.763 ( 0.614 -1.367 8.105) 8.243 4.896 ( 1.697 -0.763 -2.873) 3.423 4.964 ( 4.771 4.769 0.914) 6.807 5.068 ( 5.295 2.144 -7.645) 9.544 5.793 ( 2.735 0.450 3.499) 4.464 5.862 ( 4.053 1.784 -3.982) 5.955 6.550 ( 11.047 1.441 4.239) 11.920 6.616 ( 10.357 2.146 -2.738) 10.926 8.866 ( -10.198 -0.312 1.525) 10.316 8.890 ( -10.632 -0.033 -1.033) 10.682 9.331 ( 8.279 -0.253 0.417) 8.294 9.338 ( 8.658 -0.108 -0.302) 8.664 9.728 ( 6.805 -0.491 3.096) 7.493 9.788 ( 6.118 -0.802 -3.101) 6.905 10.165 ( -5.736 -1.896 5.283) 8.025 10.283 ( -5.584 -4.140 -7.197) 10.005 ======================= Grid point 490 (149/192) ======================= q-point: (-0.13 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -4.005 2.324 18.441) 19.014 1.083 ( -15.380 8.315 5.057) 18.201 1.228 ( -17.469 2.522 -9.519) 20.053 1.305 ( -30.151 7.392 -8.347) 32.147 1.693 ( -12.154 14.942 18.023) 26.378 2.011 ( -0.073 7.700 -14.023) 15.998 2.854 ( 1.918 1.873 5.638) 6.243 2.984 ( 3.931 1.009 -7.823) 8.813 3.328 ( -10.439 -0.448 3.184) 10.923 3.390 ( -10.894 -1.096 -3.253) 11.422 3.798 ( -7.790 -2.876 1.596) 8.456 3.822 ( -9.218 -2.345 -1.188) 9.586 4.132 ( -3.753 -6.679 7.104) 10.448 4.229 ( -1.201 -4.314 -2.634) 5.195 4.827 ( 3.700 -3.631 6.483) 8.300 4.951 ( 3.025 -0.030 -5.264) 6.071 5.032 ( 5.352 4.183 4.567) 8.185 5.153 ( 5.377 3.230 -6.356) 8.930 5.835 ( 1.971 0.355 3.858) 4.347 5.917 ( 2.936 1.827 -5.027) 6.102 6.737 ( 9.618 4.259 3.939) 11.232 6.800 ( 11.875 5.495 -2.636) 13.348 8.681 ( -8.862 -0.570 0.939) 8.930 8.695 ( -9.082 0.048 -0.480) 9.095 9.470 ( 6.448 -0.138 1.162) 6.553 9.489 ( 7.215 0.056 -0.748) 7.254 9.797 ( -1.450 -0.564 2.329) 2.801 9.854 ( -1.668 -0.812 -3.669) 4.112 10.046 ( -5.731 -0.739 3.620) 6.818 10.136 ( -11.039 -2.824 -6.386) 13.062 ======================= Grid point 491 (150/192) ======================= q-point: (-0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.000 9.451 12.213) 15.443 0.822 ( -0.000 -1.235 21.480) 21.515 0.840 ( 0.000 7.060 -9.775) 12.058 1.183 ( 0.000 0.166 -14.613) 14.614 1.517 ( 0.000 14.154 24.703) 28.470 1.975 ( 0.000 7.690 -21.284) 22.630 2.910 ( -0.000 -1.838 8.155) 8.359 3.060 ( -0.000 -0.291 -7.798) 7.803 3.213 ( -0.000 -0.430 2.919) 2.951 3.268 ( -0.000 -0.674 -2.745) 2.827 3.714 ( -0.000 -1.408 0.492) 1.491 3.723 ( -0.000 -1.259 -0.474) 1.345 4.147 ( -0.000 -5.714 8.180) 9.978 4.273 ( -0.000 -6.671 -4.819) 8.229 4.901 ( -0.000 -4.434 3.615) 5.721 4.980 ( 0.000 1.341 -4.175) 4.385 5.084 ( 0.000 1.258 5.491) 5.633 5.196 ( 0.000 3.547 -5.277) 6.358 5.858 ( -0.000 -0.744 3.587) 3.663 5.939 ( 0.000 1.257 -5.297) 5.444 6.807 ( 0.000 5.234 5.458) 7.562 6.916 ( 0.000 7.286 -6.455) 9.734 8.584 ( -0.000 -0.476 0.436) 0.645 8.592 ( 0.000 0.159 -0.434) 0.462 9.580 ( -0.000 -1.258 1.139) 1.697 9.599 ( 0.000 0.007 -1.015) 1.015 9.708 ( 0.000 0.079 0.749) 0.753 9.722 ( 0.000 0.771 -0.747) 1.074 10.006 ( -0.000 -0.042 1.935) 1.935 10.043 ( -0.000 -0.450 -1.805) 1.860 ======================= Grid point 494 (151/192) ======================= q-point: ( 0.13 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 21.205 0.000 3.526) 21.496 1.786 ( 21.462 0.000 -2.008) 21.555 2.157 ( 28.934 0.000 0.325) 28.936 2.163 ( 26.454 0.000 -0.483) 26.458 2.939 ( 11.100 0.000 3.857) 11.751 3.041 ( 9.876 0.000 -7.011) 12.111 3.618 ( 3.995 0.000 2.873) 4.921 3.656 ( 1.079 0.000 -1.028) 1.490 3.881 ( 11.945 0.000 1.454) 12.033 3.914 ( 18.724 0.000 -2.256) 18.859 4.232 ( 16.413 0.000 9.303) 18.866 4.374 ( 6.171 0.000 -4.996) 7.939 4.588 ( 10.453 0.000 1.844) 10.614 4.622 ( 5.782 0.000 0.936) 5.857 4.707 ( 1.049 0.000 2.975) 3.154 4.844 ( 2.431 0.000 -9.121) 9.440 5.082 ( 8.389 0.000 2.028) 8.631 5.125 ( 8.193 0.000 -2.764) 8.647 5.730 ( -0.780 -0.000 1.870) 2.026 5.760 ( -0.228 -0.000 -1.355) 1.374 6.229 ( -6.263 -0.000 4.484) 7.703 6.308 ( -5.242 -0.000 -3.750) 6.445 8.781 ( -15.161 -0.000 0.923) 15.189 8.806 ( -15.419 -0.000 -1.749) 15.517 9.320 ( 4.446 0.000 1.728) 4.770 9.341 ( 7.339 0.000 -0.704) 7.372 9.439 ( -4.102 -0.000 4.233) 5.895 9.519 ( -6.612 -0.000 -3.965) 7.710 10.203 ( -4.457 -0.000 4.138) 6.082 10.286 ( -5.947 -0.000 -4.556) 7.492 ======================= Grid point 495 (152/192) ======================= q-point: ( 0.20 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 21.341 -1.829 2.084) 21.521 2.185 ( 20.506 -2.186 -2.719) 20.801 2.707 ( 28.493 1.035 2.066) 28.587 2.730 ( 28.563 -0.321 -0.116) 28.565 3.129 ( 9.297 -0.285 3.434) 9.915 3.211 ( 8.763 -0.099 -5.257) 10.219 3.574 ( -5.903 -0.809 1.324) 6.104 3.614 ( -4.358 -0.907 -2.638) 5.174 4.009 ( 4.412 -1.008 7.000) 8.336 4.119 ( 4.612 -0.943 -4.829) 6.744 4.422 ( -0.417 0.549 1.781) 1.910 4.427 ( -1.137 0.543 1.495) 1.955 4.698 ( 6.902 0.222 4.431) 8.205 4.793 ( 6.519 -0.311 -3.911) 7.608 4.966 ( 20.582 -0.371 0.816) 20.602 5.027 ( 17.241 -0.646 -6.912) 18.586 5.217 ( 6.116 0.845 2.118) 6.528 5.256 ( 5.106 0.852 -2.110) 5.590 5.752 ( 3.555 0.769 1.685) 4.008 5.768 ( 1.542 0.392 -0.361) 1.631 6.135 ( -3.588 0.277 5.801) 6.826 6.237 ( -2.181 0.115 -4.895) 5.360 8.469 ( -17.158 0.074 0.705) 17.173 8.488 ( -17.531 0.090 -1.346) 17.583 9.278 ( -4.125 -0.002 5.040) 6.513 9.366 ( -4.215 0.097 -4.258) 5.992 9.495 ( 5.183 0.098 0.737) 5.236 9.507 ( 4.643 -0.229 -0.424) 4.668 10.092 ( -6.692 0.204 2.914) 7.302 10.152 ( -7.698 0.428 -3.307) 8.389 ======================= Grid point 496 (153/192) ======================= q-point: ( 0.27 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 21.252 -2.286 1.609) 21.435 2.591 ( 20.635 -2.433 -1.899) 20.865 3.083 ( 9.748 1.166 1.714) 9.966 3.104 ( 9.543 -0.450 -0.391) 9.561 3.292 ( 4.207 -0.364 3.220) 5.310 3.363 ( -1.462 -1.040 -3.496) 3.929 3.529 ( 9.762 0.245 1.426) 9.868 3.580 ( 4.763 -0.080 -3.351) 5.825 4.113 ( 5.407 -2.006 5.196) 7.763 4.189 ( 2.858 -2.054 -3.159) 4.730 4.354 ( -3.457 0.421 3.245) 4.760 4.383 ( -2.415 0.349 0.569) 2.505 4.792 ( 2.953 0.752 1.494) 3.394 4.873 ( 2.471 -0.016 -6.710) 7.150 5.211 ( 2.840 0.205 2.365) 3.701 5.260 ( 2.351 1.182 -3.012) 4.000 5.358 ( 9.193 -0.113 0.156) 9.195 5.381 ( 11.201 0.212 -1.897) 11.362 5.818 ( 5.046 0.892 2.541) 5.720 5.859 ( 6.915 0.702 -1.405) 7.091 6.092 ( -0.795 0.332 7.489) 7.539 6.215 ( -0.517 0.452 -5.404) 5.448 8.162 ( -14.286 0.142 0.339) 14.291 8.172 ( -14.876 0.130 -0.710) 14.893 9.229 ( -0.929 -0.131 4.173) 4.277 9.303 ( -1.854 -0.080 -3.483) 3.947 9.564 ( 1.905 0.041 0.593) 1.996 9.575 ( 1.764 -0.244 -0.463) 1.840 9.969 ( -5.602 0.257 1.865) 5.910 10.009 ( -6.563 0.630 -2.300) 6.983 ======================= Grid point 497 (154/192) ======================= q-point: ( 0.33 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 15.427 -1.023 1.745) 15.559 2.969 ( 16.110 -0.748 -1.553) 16.202 3.139 ( -0.877 -0.267 2.067) 2.262 3.176 ( -2.174 -0.368 -1.476) 2.653 3.265 ( -1.481 -2.325 0.243) 2.767 3.271 ( -2.962 -2.582 -0.305) 3.941 3.708 ( 4.611 3.738 0.439) 5.952 3.726 ( 4.459 2.808 -1.453) 5.466 4.197 ( 1.761 -1.030 4.738) 5.159 4.259 ( 2.315 -1.514 -1.906) 3.359 4.339 ( 1.707 0.829 3.940) 4.374 4.395 ( 5.035 -1.549 -1.726) 5.544 4.804 ( -0.981 0.222 1.427) 1.746 4.888 ( -0.573 0.288 -7.202) 7.230 5.207 ( -2.210 -0.212 1.628) 2.753 5.237 ( -2.516 0.540 -1.440) 2.949 5.482 ( 3.502 -0.256 -0.182) 3.516 5.505 ( 2.699 0.111 -2.289) 3.541 5.910 ( 3.167 0.310 2.388) 3.979 5.945 ( 1.196 0.107 -0.959) 1.537 6.094 ( 0.836 0.532 6.322) 6.399 6.193 ( -1.588 0.674 -4.036) 4.389 7.961 ( -6.210 0.157 0.179) 6.214 7.967 ( -5.796 -0.008 -0.397) 5.810 9.236 ( 1.027 -0.041 3.543) 3.689 9.298 ( 0.840 -0.219 -2.925) 3.051 9.571 ( -0.506 0.068 0.248) 0.567 9.577 ( -1.015 -0.164 -0.351) 1.086 9.896 ( -1.899 0.184 0.849) 2.088 9.915 ( -2.751 0.499 -1.185) 3.036 ======================= Grid point 498 (155/192) ======================= q-point: (-0.60 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -8.974 -0.789 1.888) 9.204 2.990 ( -9.152 -0.262 -2.400) 9.465 3.146 ( -1.924 0.322 4.144) 4.580 3.206 ( 1.324 0.919 -2.001) 2.570 3.372 ( 8.099 -0.655 1.240) 8.219 3.400 ( 11.511 -1.232 -1.606) 11.688 3.641 ( -6.726 2.328 1.822) 7.347 3.688 ( -3.225 3.902 -2.751) 5.761 4.228 ( 0.873 0.056 2.978) 3.104 4.270 ( 0.217 0.389 -1.049) 1.140 4.380 ( 1.101 1.698 6.306) 6.623 4.488 ( 2.848 1.954 -4.364) 5.566 4.773 ( -2.344 -1.800 2.457) 3.843 4.866 ( -1.510 -0.815 -6.833) 7.045 5.144 ( -4.873 -1.908 1.132) 5.354 5.174 ( -4.511 -1.861 -1.663) 5.155 5.506 ( -0.885 0.462 -0.634) 1.183 5.516 ( -1.114 0.517 -1.579) 2.001 5.881 ( -6.369 -0.447 1.886) 6.657 5.906 ( -5.485 -1.111 -0.820) 5.657 6.086 ( -1.598 0.496 4.895) 5.173 6.156 ( -1.786 -0.468 -2.499) 3.107 7.953 ( 5.416 -0.101 0.594) 5.450 7.966 ( 5.595 -0.029 -0.734) 5.643 9.248 ( 0.236 0.367 3.425) 3.453 9.311 ( 0.076 0.146 -3.113) 3.117 9.564 ( 0.121 -0.205 0.834) 0.867 9.580 ( 1.126 -0.065 -0.827) 1.398 9.890 ( 1.430 -0.054 0.228) 1.449 9.897 ( 0.982 0.134 -0.444) 1.086 ======================= Grid point 499 (156/192) ======================= q-point: (-0.53 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -11.136 2.715 2.574) 11.748 2.793 ( -10.529 2.599 -1.738) 10.983 3.005 ( -14.766 -0.962 6.326) 16.093 3.120 ( -12.733 0.458 -5.491) 13.874 3.336 ( -7.865 0.780 2.042) 8.163 3.377 ( -9.384 -0.506 -2.161) 9.643 3.678 ( 8.819 4.865 1.439) 10.174 3.725 ( 8.500 5.488 -3.404) 10.675 4.220 ( -1.711 0.109 4.387) 4.710 4.270 ( -1.216 -0.255 -1.081) 1.647 4.365 ( 0.759 2.988 5.781) 6.552 4.480 ( -0.221 4.603 -5.616) 7.265 4.746 ( -1.901 -1.764 3.546) 4.393 4.842 ( -2.256 -1.807 -5.692) 6.384 5.054 ( -6.952 -4.337 1.152) 8.275 5.095 ( -6.309 -4.538 -2.366) 8.124 5.420 ( -8.701 2.077 0.152) 8.947 5.438 ( -7.171 1.861 -1.747) 7.612 5.722 ( -8.981 -1.895 2.246) 9.450 5.763 ( -9.166 -2.255 -2.080) 9.665 6.052 ( -1.131 -0.638 6.006) 6.144 6.142 ( -0.413 -2.150 -3.583) 4.199 8.148 ( 14.203 -0.279 0.633) 14.220 8.161 ( 14.226 -0.193 -0.722) 14.246 9.252 ( 1.023 0.669 3.169) 3.396 9.312 ( 0.753 0.167 -3.012) 3.109 9.555 ( -2.099 -0.369 1.602) 2.666 9.585 ( -1.526 -0.058 -1.433) 2.094 9.953 ( 4.894 -0.185 0.208) 4.901 9.959 ( 5.579 -0.496 -0.400) 5.615 ======================= Grid point 500 (157/192) ======================= q-point: (-0.47 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -17.876 6.642 6.864) 20.268 2.556 ( -12.449 7.498 -1.933) 14.660 2.621 ( -22.234 -0.639 3.491) 22.515 2.721 ( -25.046 0.180 -5.985) 25.752 3.199 ( -6.567 1.959 1.281) 6.972 3.245 ( -5.623 0.972 -3.703) 6.803 3.751 ( 2.638 5.372 2.789) 6.603 3.806 ( 3.089 5.386 -2.717) 6.777 4.146 ( -4.987 1.402 5.137) 7.295 4.215 ( -5.291 0.359 -2.035) 5.680 4.374 ( -0.825 0.660 3.445) 3.603 4.447 ( -1.834 3.691 -4.203) 5.887 4.696 ( -4.889 0.586 4.486) 6.661 4.790 ( -5.465 -1.580 -4.323) 7.145 4.926 ( -10.017 -6.137 -0.594) 11.762 4.946 ( -14.012 -5.178 -1.816) 15.049 5.180 ( -10.420 3.284 2.721) 11.259 5.234 ( -10.245 2.519 -3.079) 10.990 5.631 ( -2.481 -2.878 1.190) 3.982 5.658 ( -3.065 -2.774 -1.602) 4.433 6.072 ( 2.677 -1.740 6.273) 7.039 6.176 ( 2.559 -2.699 -4.751) 6.034 8.455 ( 17.136 -0.348 0.718) 17.155 8.470 ( 17.331 -0.475 -0.881) 17.359 9.289 ( 3.335 0.590 3.339) 4.756 9.351 ( 3.206 -0.338 -3.123) 4.488 9.483 ( -5.504 -0.457 1.931) 5.851 9.518 ( -5.036 -0.146 -1.696) 5.315 10.062 ( 5.697 -0.547 1.107) 5.829 10.085 ( 6.468 -1.192 -1.273) 6.699 ======================= Grid point 501 (158/192) ======================= q-point: (-0.40 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -28.236 2.486 8.624) 29.628 2.096 ( -27.242 4.228 -3.845) 27.835 2.318 ( -11.566 10.174 0.646) 15.417 2.342 ( -11.534 8.808 -1.924) 14.639 3.046 ( -8.252 3.055 1.199) 8.880 3.111 ( -7.858 1.994 -5.847) 9.995 3.718 ( -4.331 2.842 3.752) 6.396 3.768 ( -4.652 3.590 -1.048) 5.969 3.988 ( -15.421 0.818 2.746) 15.685 4.053 ( -10.631 1.406 -3.029) 11.143 4.159 ( -19.985 0.943 5.797) 20.830 4.276 ( -13.379 -0.381 -5.330) 14.407 4.565 ( -7.564 -0.471 3.571) 8.378 4.632 ( -11.045 -1.307 -2.911) 11.497 4.749 ( -1.966 -0.220 6.975) 7.250 4.885 ( -0.336 -3.366 -6.606) 7.422 5.044 ( -4.056 1.146 -0.380) 4.232 5.062 ( -6.821 1.800 -1.810) 7.283 5.651 ( 2.424 -2.520 1.710) 3.892 5.685 ( 4.066 -1.363 -1.938) 4.706 6.175 ( 6.828 -1.808 5.791) 9.134 6.275 ( 6.281 -2.004 -4.773) 8.139 8.770 ( 15.264 -0.402 0.928) 15.298 8.790 ( 15.534 -0.596 -1.255) 15.596 9.307 ( -5.451 -0.199 2.217) 5.888 9.347 ( -6.778 -0.057 -2.009) 7.070 9.429 ( 4.201 -0.188 3.513) 5.479 9.494 ( 4.993 -1.008 -3.057) 5.940 10.155 ( 3.134 -1.226 2.174) 4.006 10.199 ( 4.013 -2.222 -2.370) 5.164 ======================= Grid point 502 (159/192) ======================= q-point: (-0.33 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -22.564 3.589 8.924) 24.529 1.601 ( -20.154 5.146 -5.748) 21.581 2.035 ( -9.456 14.458 4.180) 17.774 2.109 ( -6.095 12.662 -2.653) 14.301 2.814 ( -15.670 5.248 1.471) 16.591 2.902 ( -14.377 3.335 -7.721) 16.656 3.364 ( -28.207 3.119 4.545) 28.741 3.443 ( -26.276 1.920 -3.384) 26.562 3.731 ( -7.072 1.916 3.627) 8.176 3.785 ( -9.285 1.738 -0.551) 9.462 3.951 ( -8.085 -2.353 5.966) 10.320 4.072 ( -9.538 -3.288 -5.652) 11.564 4.398 ( -12.006 -2.355 1.197) 12.293 4.435 ( -10.190 -1.931 -2.318) 10.627 4.755 ( -1.048 -1.732 9.921) 10.125 4.868 ( -3.608 -3.261 0.061) 4.863 4.989 ( 1.806 3.447 -2.572) 4.665 5.025 ( 4.062 3.983 -8.480) 10.211 5.733 ( 4.628 -0.109 3.437) 5.766 5.793 ( 6.270 0.821 -3.169) 7.073 6.347 ( 10.160 -1.088 5.215) 11.472 6.436 ( 9.562 -0.792 -4.187) 10.469 8.980 ( 2.769 -0.302 1.496) 3.161 9.011 ( 3.192 -0.439 -1.813) 3.697 9.198 ( -0.430 -0.604 1.511) 1.683 9.223 ( -1.747 -0.154 -1.173) 2.110 9.568 ( 8.456 -0.414 3.538) 9.175 9.632 ( 7.712 -1.193 -3.158) 8.418 10.187 ( -1.057 -2.017 3.348) 4.049 10.255 ( -0.238 -3.554 -3.781) 5.195 ======================= Grid point 503 (160/192) ======================= q-point: (-0.27 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -11.104 6.924 11.262) 17.265 1.306 ( -7.338 6.309 -8.897) 13.146 1.764 ( -10.628 15.388 8.537) 20.558 1.934 ( -7.262 12.779 -7.638) 16.565 2.329 ( -27.242 5.943 3.864) 28.150 2.400 ( -30.963 7.696 -2.976) 32.043 2.986 ( -8.194 4.349 2.403) 9.583 3.072 ( -9.656 2.777 -5.826) 11.614 3.545 ( -12.058 -0.116 2.849) 12.390 3.594 ( -11.774 -0.580 -2.079) 11.970 3.846 ( -5.340 -3.605 5.659) 8.575 3.932 ( -8.361 -3.369 -3.921) 9.830 4.178 ( -12.243 -4.510 4.274) 13.730 4.267 ( -8.653 -2.619 -4.199) 9.968 4.732 ( -1.437 -3.606 9.657) 10.408 4.867 ( 0.797 -3.227 -1.665) 3.717 5.036 ( 5.580 5.714 -1.508) 8.128 5.109 ( 6.537 4.121 -7.726) 10.928 5.810 ( 4.094 2.231 4.561) 6.522 5.891 ( 5.051 2.656 -4.164) 7.065 6.565 ( 12.499 0.610 4.417) 13.271 6.639 ( 11.863 1.127 -3.381) 12.387 8.860 ( -10.454 -0.511 1.656) 10.596 8.888 ( -10.693 -0.254 -1.264) 10.771 9.327 ( 8.432 -0.357 0.470) 8.453 9.336 ( 8.722 -0.264 -0.418) 8.736 9.721 ( 6.715 -0.588 2.805) 7.301 9.776 ( 6.145 -1.075 -2.850) 6.859 10.137 ( -5.567 -2.277 4.040) 7.246 10.225 ( -6.009 -4.619 -5.190) 9.186 ======================= Grid point 504 (161/192) ======================= q-point: (-0.20 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -3.173 8.724 14.630) 17.326 1.187 ( -5.914 7.406 -6.950) 11.753 1.304 ( -25.709 9.474 0.404) 27.402 1.424 ( -30.989 10.654 -7.306) 33.574 1.909 ( -6.935 17.626 13.876) 23.480 2.119 ( 2.154 8.526 -7.145) 11.331 2.889 ( -0.427 3.332 3.322) 4.724 2.999 ( 2.012 1.265 -7.688) 8.047 3.319 ( -10.883 -1.025 2.661) 11.251 3.371 ( -11.342 -1.784 -2.814) 11.822 3.754 ( -7.109 -3.679 1.744) 8.193 3.785 ( -8.885 -3.223 -1.736) 9.609 4.047 ( -4.503 -5.943 8.603) 11.385 4.178 ( -2.491 -3.335 -4.709) 6.285 4.766 ( 1.430 -5.730 9.401) 11.102 4.920 ( 1.900 -3.957 -3.972) 5.920 5.105 ( 5.338 6.181 0.740) 8.200 5.202 ( 5.802 4.149 -7.006) 9.998 5.855 ( 2.399 2.867 5.021) 6.259 5.948 ( 3.026 3.102 -5.030) 6.640 6.785 ( 10.704 2.807 4.339) 11.886 6.869 ( 14.361 4.477 -4.653) 15.746 8.673 ( -8.938 -0.708 1.224) 9.050 8.694 ( -9.123 -0.210 -0.937) 9.174 9.468 ( 6.305 -0.226 1.209) 6.424 9.489 ( 7.212 -0.090 -0.927) 7.272 9.789 ( -1.378 -0.654 2.225) 2.698 9.842 ( -1.780 -0.992 -3.388) 3.953 10.033 ( -4.839 -1.185 2.783) 5.706 10.095 ( -8.741 -3.326 -3.825) 10.104 ======================= Grid point 505 (162/192) ======================= q-point: (-0.13 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 0.000 14.388 9.691) 17.347 0.853 ( 0.000 6.446 17.977) 19.098 0.964 ( 0.000 11.627 -8.427) 14.360 1.195 ( 0.000 2.430 -17.346) 17.515 1.746 ( 0.000 19.701 21.538) 29.189 2.095 ( 0.000 10.055 -14.256) 17.445 2.895 ( -0.000 -0.130 7.016) 7.017 3.051 ( -0.000 -0.981 -9.078) 9.131 3.205 ( -0.000 -0.891 2.680) 2.824 3.254 ( -0.000 -1.383 -2.487) 2.846 3.688 ( -0.000 -2.568 0.603) 2.638 3.700 ( -0.000 -2.357 -0.613) 2.436 4.057 ( -0.000 -7.223 9.347) 11.813 4.192 ( -0.000 -5.271 -4.589) 6.989 4.829 ( -0.000 -6.608 8.281) 10.594 4.966 ( -0.000 -3.189 -3.931) 5.062 5.129 ( 0.000 4.988 2.362) 5.519 5.243 ( 0.000 3.621 -7.063) 7.937 5.863 ( 0.000 1.752 4.836) 5.143 5.961 ( 0.000 2.308 -5.746) 6.192 6.875 ( 0.000 4.626 6.008) 7.583 7.019 ( 0.000 7.139 -10.087) 12.358 8.577 ( -0.000 -0.578 0.835) 1.016 8.593 ( 0.000 0.011 -0.863) 0.863 9.563 ( -0.000 -1.277 1.855) 2.252 9.595 ( -0.000 -0.650 -1.619) 1.744 9.711 ( 0.000 0.389 1.262) 1.320 9.735 ( 0.000 1.137 -1.232) 1.676 10.004 ( -0.000 -0.371 1.696) 1.736 10.034 ( -0.000 -0.964 -1.250) 1.579 ======================= Grid point 510 (163/192) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 21.738 0.000 1.520) 21.792 2.575 ( 21.235 0.000 -1.902) 21.320 3.093 ( 8.345 0.000 0.782) 8.381 3.098 ( 10.511 0.000 0.511) 10.523 3.290 ( 3.407 0.000 3.045) 4.570 3.356 ( -3.001 -0.000 -3.117) 4.327 3.531 ( 11.975 0.000 1.234) 12.038 3.580 ( 6.338 0.000 -3.279) 7.136 4.099 ( 5.378 0.000 5.048) 7.376 4.175 ( 2.770 0.000 -3.273) 4.288 4.357 ( -3.630 -0.000 3.467) 5.020 4.385 ( -2.615 -0.000 0.814) 2.738 4.798 ( 2.946 0.000 1.099) 3.145 4.873 ( 2.677 0.000 -6.533) 7.060 5.212 ( 3.061 0.000 2.558) 3.989 5.267 ( 2.831 0.000 -3.611) 4.589 5.358 ( 8.516 0.000 0.467) 8.528 5.382 ( 10.869 0.000 -1.822) 11.021 5.824 ( 4.731 0.000 2.481) 5.342 5.864 ( 6.849 0.000 -1.242) 6.961 6.094 ( -0.835 -0.000 7.480) 7.526 6.218 ( -0.437 -0.000 -5.460) 5.478 8.163 ( -14.289 -0.000 0.329) 14.292 8.173 ( -14.914 -0.000 -0.715) 14.931 9.229 ( -0.934 -0.000 4.205) 4.307 9.302 ( -1.930 -0.000 -3.486) 3.985 9.565 ( 1.887 0.000 0.484) 1.948 9.573 ( 1.818 0.000 -0.363) 1.854 9.970 ( -5.640 -0.000 1.989) 5.980 10.013 ( -6.634 -0.000 -2.431) 7.066 ======================= Grid point 511 (164/192) ======================= q-point: ( 0.27 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 16.162 -0.453 1.979) 16.289 2.961 ( 17.620 -0.378 -1.523) 17.689 3.136 ( -1.766 -0.176 1.893) 2.595 3.171 ( -3.140 -0.249 -1.655) 3.558 3.247 ( -1.053 -0.494 0.140) 1.172 3.250 ( -1.581 -0.881 -0.073) 1.811 3.742 ( 3.802 1.346 -0.024) 4.033 3.755 ( 5.367 1.367 -1.350) 5.700 4.186 ( 3.165 -0.468 4.508) 5.528 4.242 ( 3.596 -0.805 -1.462) 3.964 4.352 ( 1.267 1.088 2.557) 3.054 4.375 ( 5.070 -1.445 0.300) 5.280 4.807 ( -1.637 0.211 0.993) 1.926 4.892 ( -0.600 0.207 -7.667) 7.693 5.204 ( -2.785 -0.165 2.147) 3.521 5.242 ( -3.625 0.140 -1.813) 4.056 5.480 ( 3.773 -0.073 0.021) 3.774 5.506 ( 2.780 0.013 -2.314) 3.617 5.913 ( 2.876 0.125 2.324) 3.700 5.945 ( 0.547 -0.007 -0.643) 0.845 6.099 ( 0.930 0.218 6.228) 6.301 6.200 ( -1.772 0.254 -4.164) 4.533 7.963 ( -6.399 0.070 0.084) 6.400 7.967 ( -5.737 -0.015 -0.311) 5.746 9.236 ( 1.182 -0.005 3.478) 3.673 9.296 ( 0.909 -0.082 -2.807) 2.951 9.572 ( -0.431 0.059 0.093) 0.445 9.575 ( -1.051 -0.104 -0.222) 1.079 9.897 ( -1.981 0.078 0.988) 2.215 9.920 ( -2.957 0.193 -1.343) 3.254 ======================= Grid point 512 (165/192) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( -8.165 -0.651 2.190) 8.478 2.986 ( -8.583 -0.351 -2.673) 8.997 3.150 ( -2.107 0.252 4.642) 5.104 3.216 ( 1.358 0.617 -2.220) 2.675 3.361 ( 9.068 -0.735 1.172) 9.173 3.388 ( 12.528 -0.623 -1.474) 12.630 3.665 ( -6.932 1.285 2.769) 7.574 3.735 ( -2.552 2.865 -4.505) 5.918 4.232 ( 1.285 0.401 2.970) 3.261 4.274 ( -0.039 0.144 -1.307) 1.315 4.399 ( 2.781 1.237 6.981) 7.616 4.505 ( 5.655 0.716 -3.312) 6.592 4.751 ( -3.867 -1.295 2.333) 4.699 4.860 ( -2.217 -0.175 -8.311) 8.604 5.124 ( -5.832 -1.031 1.332) 6.071 5.151 ( -6.097 -1.558 -1.380) 6.442 5.511 ( -0.360 0.340 -0.617) 0.791 5.520 ( -0.926 0.151 -1.383) 1.671 5.878 ( -6.862 -0.014 1.552) 7.036 5.894 ( -5.908 -0.830 -0.254) 5.971 6.092 ( -1.748 0.440 4.089) 4.468 6.151 ( -2.877 -0.297 -2.013) 3.524 7.952 ( 5.302 -0.051 0.636) 5.340 7.965 ( 5.559 -0.017 -0.763) 5.611 9.252 ( 0.455 0.238 3.276) 3.316 9.313 ( 0.277 0.063 -2.976) 2.989 9.562 ( -0.016 -0.130 0.903) 0.912 9.579 ( 1.099 -0.052 -0.906) 1.425 9.890 ( 1.228 -0.006 0.351) 1.277 9.899 ( 0.861 0.130 -0.557) 1.034 ======================= Grid point 513 (166/192) ======================= q-point: (-0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -8.544 1.296 2.468) 8.987 2.817 ( -8.744 1.211 -1.699) 8.989 2.997 ( -15.727 -0.248 7.172) 17.287 3.127 ( -13.189 0.556 -6.175) 14.573 3.344 ( -6.654 0.470 1.361) 6.808 3.372 ( -8.555 -0.286 -1.500) 8.691 3.732 ( 10.510 3.363 2.272) 11.267 3.793 ( 8.816 4.616 -4.173) 10.791 4.222 ( -1.800 0.319 3.240) 3.720 4.264 ( -1.178 -0.539 -1.216) 1.777 4.409 ( 0.664 3.491 7.224) 8.051 4.537 ( -0.177 3.958 -5.693) 6.936 4.714 ( -1.166 -2.935 4.028) 5.119 4.821 ( -2.721 -1.272 -6.377) 7.049 5.006 ( -8.096 -2.981 0.769) 8.662 5.038 ( -7.935 -3.989 -2.075) 9.120 5.445 ( -7.018 1.611 0.059) 7.201 5.458 ( -6.237 1.109 -1.303) 6.467 5.703 ( -9.906 -1.018 1.951) 10.147 5.737 ( -9.782 -1.719 -1.703) 10.077 6.048 ( -1.865 -0.047 4.604) 4.967 6.114 ( -1.402 -2.028 -2.487) 3.501 8.145 ( 14.157 -0.188 0.716) 14.177 8.159 ( 14.090 -0.125 -0.743) 14.110 9.260 ( 1.125 0.548 2.774) 3.043 9.313 ( 0.506 0.091 -2.740) 2.788 9.551 ( -2.176 -0.317 1.784) 2.832 9.583 ( -1.563 -0.105 -1.625) 2.257 9.950 ( 4.874 -0.263 0.273) 4.889 9.956 ( 5.246 -0.026 -0.390) 5.261 ======================= Grid point 514 (167/192) ======================= q-point: (-0.53 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -23.269 2.781 8.491) 24.925 2.613 ( -17.019 1.721 0.399) 17.110 2.645 ( -8.959 3.812 0.776) 9.767 2.734 ( -21.799 2.032 -6.998) 22.985 3.222 ( -6.191 1.594 0.526) 6.414 3.256 ( -4.968 0.709 -3.165) 5.933 3.821 ( 1.797 5.360 3.070) 6.433 3.873 ( 2.015 4.603 -1.885) 5.367 4.157 ( -5.205 0.402 3.684) 6.389 4.216 ( -5.137 -0.257 -2.270) 5.622 4.394 ( -1.511 2.439 5.095) 5.847 4.497 ( -2.591 3.762 -5.573) 7.206 4.707 ( -3.582 0.932 2.807) 4.645 4.755 ( -5.208 -4.045 -0.846) 6.649 4.854 ( -9.440 -4.360 -1.452) 10.499 4.874 ( -13.076 -5.691 -2.360) 14.455 5.227 ( -11.189 3.606 1.891) 11.907 5.264 ( -10.792 1.987 -2.055) 11.164 5.597 ( -2.511 -2.168 1.401) 3.601 5.627 ( -2.172 -1.847 -1.766) 3.354 6.052 ( 2.283 -1.267 5.110) 5.739 6.137 ( 2.275 -3.227 -3.910) 5.557 8.450 ( 17.110 -0.275 0.702) 17.126 8.464 ( 17.164 -0.402 -0.718) 17.184 9.298 ( 3.260 0.705 2.558) 4.203 9.347 ( 2.891 -0.358 -2.533) 3.860 9.477 ( -5.535 -0.462 2.108) 5.941 9.516 ( -5.301 -0.255 -1.916) 5.643 10.056 ( 5.433 -0.423 0.848) 5.515 10.073 ( 6.069 -0.685 -0.916) 6.176 ======================= Grid point 515 (168/192) ======================= q-point: (-0.47 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -28.699 0.945 9.026) 30.100 2.135 ( -27.471 2.135 -5.763) 28.150 2.453 ( -7.829 9.773 0.933) 12.557 2.466 ( -6.892 9.924 -0.246) 12.085 3.082 ( -7.469 2.368 0.365) 7.844 3.135 ( -7.291 1.584 -5.444) 9.236 3.757 ( -6.538 2.984 4.335) 8.393 3.813 ( -6.232 3.140 -0.890) 7.035 3.989 ( -14.644 -0.446 3.106) 14.976 4.066 ( -10.186 0.683 -3.786) 10.888 4.173 ( -21.190 0.926 5.295) 21.861 4.274 ( -16.432 -0.227 -4.455) 17.026 4.566 ( -7.702 0.609 2.129) 8.014 4.612 ( -10.930 -1.577 -2.022) 11.227 4.741 ( -1.449 -0.827 4.543) 4.840 4.830 ( 0.012 -4.633 -4.590) 6.522 5.068 ( -3.613 2.351 0.214) 4.316 5.091 ( -5.530 2.157 -2.022) 6.271 5.623 ( 3.827 -1.632 2.647) 4.931 5.675 ( 5.806 -0.184 -2.897) 6.492 6.151 ( 6.882 -1.866 5.270) 8.867 6.243 ( 6.563 -3.041 -4.395) 8.463 8.765 ( 15.232 -0.374 0.860) 15.261 8.782 ( 15.458 -0.654 -0.985) 15.503 9.305 ( -6.241 -0.108 2.168) 6.607 9.346 ( -6.461 -0.172 -2.039) 6.777 9.428 ( 4.275 0.040 2.710) 5.062 9.480 ( 4.686 -1.149 -2.474) 5.422 10.140 ( 2.668 -0.997 1.654) 3.293 10.173 ( 3.346 -1.688 -1.735) 4.130 ======================= Grid point 516 (169/192) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -20.655 2.966 9.207) 22.808 1.659 ( -19.277 3.920 -7.381) 21.011 2.233 ( -6.739 15.565 4.015) 17.430 2.278 ( -4.917 13.069 -0.184) 13.965 2.883 ( -13.409 5.191 -0.440) 14.386 2.945 ( -12.788 3.087 -6.875) 14.844 3.391 ( -27.859 1.117 3.681) 28.123 3.458 ( -27.279 0.382 -3.114) 27.458 3.750 ( -8.915 0.969 4.249) 9.923 3.804 ( -10.706 1.161 0.859) 10.803 3.921 ( -9.532 -2.377 4.391) 10.760 4.034 ( -10.028 -2.741 -6.034) 12.020 4.372 ( -13.286 -1.525 2.142) 13.544 4.419 ( -10.065 -0.317 -2.575) 10.394 4.723 ( -3.546 -3.098 7.861) 9.163 4.822 ( -2.717 -3.736 -1.358) 4.815 5.037 ( 3.275 3.925 -1.749) 5.403 5.080 ( 4.929 4.078 -6.409) 9.055 5.737 ( 7.083 0.910 4.307) 8.339 5.811 ( 8.196 1.967 -3.702) 9.206 6.328 ( 10.459 -1.803 5.172) 11.807 6.417 ( 9.996 -2.084 -4.249) 11.060 8.976 ( 2.786 -0.379 1.418) 3.149 9.004 ( 3.263 -0.725 -1.546) 3.682 9.190 ( -0.437 -0.599 1.696) 1.851 9.221 ( -2.082 -0.227 -1.530) 2.594 9.563 ( 8.282 -0.277 2.861) 8.767 9.616 ( 7.682 -1.268 -2.630) 8.218 10.162 ( -1.494 -1.817 2.512) 3.441 10.212 ( -1.011 -3.026 -2.729) 4.198 ======================= Grid point 517 (170/192) ======================= q-point: (-0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -8.066 7.229 9.871) 14.655 1.388 ( -6.272 6.322 -9.908) 13.322 1.974 ( -12.099 16.627 8.196) 22.136 2.107 ( -7.352 13.743 -4.273) 16.161 2.414 ( -26.458 7.047 3.496) 27.603 2.505 ( -26.014 8.320 -4.852) 27.739 3.026 ( -8.441 1.524 1.928) 8.791 3.098 ( -9.388 0.908 -4.858) 10.609 3.537 ( -13.466 -1.182 2.608) 13.767 3.582 ( -13.488 -1.382 -1.960) 13.700 3.804 ( -5.459 -2.747 5.330) 8.109 3.888 ( -8.629 -3.507 -4.044) 10.154 4.129 ( -12.633 -2.911 5.589) 14.117 4.242 ( -8.331 -1.084 -5.552) 10.070 4.673 ( -3.224 -5.206 9.914) 11.653 4.819 ( -0.222 -3.946 -3.503) 5.281 5.108 ( 6.496 5.498 -1.001) 8.569 5.169 ( 6.858 4.936 -6.782) 10.835 5.850 ( 6.074 3.875 5.088) 8.820 5.933 ( 6.456 3.952 -3.903) 8.516 6.562 ( 12.994 -1.131 4.479) 13.791 6.641 ( 12.663 -0.801 -3.864) 13.264 8.853 ( -10.708 -0.686 1.738) 10.869 8.883 ( -10.778 -0.528 -1.462) 10.889 9.322 ( 8.586 -0.413 0.462) 8.609 9.331 ( 8.764 -0.433 -0.479) 8.788 9.714 ( 6.624 -0.567 2.419) 7.074 9.761 ( 6.216 -1.192 -2.484) 6.799 10.108 ( -5.410 -2.253 2.897) 6.538 10.168 ( -6.120 -4.061 -3.423) 8.103 ======================= Grid point 518 (171/192) ======================= q-point: (-0.27 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -1.235 11.447 10.753) 15.754 1.287 ( -1.637 8.331 -11.382) 14.200 1.454 ( -28.463 12.718 5.051) 31.582 1.572 ( -30.254 11.928 -6.414) 33.147 2.136 ( -2.916 17.062 8.467) 19.269 2.227 ( 2.668 8.203 -0.547) 8.643 2.932 ( -1.525 2.829 1.149) 3.413 3.017 ( 0.386 1.334 -7.050) 7.186 3.301 ( -11.197 -1.752 2.058) 11.519 3.344 ( -11.770 -2.445 -2.494) 12.277 3.707 ( -6.856 -3.546 1.838) 7.934 3.741 ( -8.720 -3.562 -1.934) 9.616 3.983 ( -4.634 -3.912 9.799) 11.524 4.146 ( -2.787 -1.665 -6.824) 7.557 4.682 ( -0.318 -7.052 10.721) 12.836 4.859 ( 0.954 -5.293 -5.570) 7.743 5.185 ( 5.080 6.118 0.090) 7.953 5.259 ( 5.494 4.620 -6.272) 9.533 5.909 ( 3.273 5.358 5.488) 8.339 5.999 ( 3.500 4.764 -4.186) 7.243 6.803 ( 10.854 -0.118 4.879) 11.901 6.905 ( 14.701 0.777 -5.956) 15.881 8.663 ( -8.944 -0.818 1.438) 9.096 8.690 ( -9.067 -0.432 -1.315) 9.172 9.464 ( 6.167 -0.309 1.180) 6.287 9.486 ( 7.090 -0.342 -1.029) 7.172 9.781 ( -1.143 -0.565 2.159) 2.507 9.830 ( -1.366 -0.880 -2.990) 3.403 10.016 ( -4.020 -1.476 1.934) 4.699 10.053 ( -6.479 -2.995 -1.920) 7.392 ======================= Grid point 519 (172/192) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.000 12.255 12.544) 17.536 0.990 ( 0.000 15.782 7.572) 17.505 1.129 ( 0.000 13.424 -6.985) 15.132 1.255 ( 0.000 6.902 -15.979) 17.406 2.004 ( 0.000 19.721 15.656) 25.180 2.219 ( 0.000 8.702 -5.861) 10.492 2.909 ( 0.000 2.080 3.691) 4.237 3.041 ( -0.000 -0.482 -9.376) 9.388 3.190 ( -0.000 -1.396 2.275) 2.669 3.232 ( -0.000 -2.133 -2.060) 2.965 3.649 ( -0.000 -3.302 0.733) 3.382 3.664 ( -0.000 -3.065 -0.785) 3.164 3.976 ( -0.000 -5.077 10.377) 11.553 4.139 ( -0.000 -2.888 -6.486) 7.100 4.733 ( -0.000 -7.961 10.556) 13.221 4.907 ( -0.000 -5.581 -5.388) 7.758 5.200 ( 0.000 5.749 0.928) 5.824 5.291 ( 0.000 3.832 -6.703) 7.721 5.906 ( 0.000 4.801 5.598) 7.375 6.003 ( 0.000 4.210 -4.812) 6.394 6.916 ( 0.000 1.433 6.809) 6.958 7.080 ( 0.000 1.979 -11.224) 11.397 8.569 ( -0.000 -0.609 1.188) 1.335 8.593 ( -0.000 -0.093 -1.258) 1.262 9.548 ( -0.000 -1.089 2.046) 2.318 9.583 ( -0.000 -1.042 -1.807) 2.086 9.718 ( 0.000 0.615 1.765) 1.869 9.751 ( 0.000 1.289 -1.695) 2.130 9.996 ( -0.000 -0.832 1.392) 1.622 10.018 ( -0.000 -1.392 -0.730) 1.572 ======================= Grid point 526 (173/192) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -7.885 -0.000 2.305) 8.215 2.983 ( -8.377 -0.000 -2.769) 8.822 3.151 ( -2.114 -0.000 4.826) 5.269 3.220 ( 1.333 0.000 -2.304) 2.662 3.356 ( 9.507 0.000 1.215) 9.585 3.384 ( 12.753 0.000 -1.541) 12.846 3.673 ( -6.975 -0.000 3.212) 7.679 3.754 ( -2.418 -0.000 -5.278) 5.805 4.235 ( 1.432 0.000 2.882) 3.218 4.274 ( -0.040 -0.000 -1.127) 1.128 4.408 ( 3.389 0.000 6.984) 7.763 4.509 ( 7.079 0.000 -2.548) 7.524 4.743 ( -4.729 -0.000 2.137) 5.190 4.860 ( -2.547 -0.000 -9.089) 9.439 5.118 ( -5.952 -0.000 1.279) 6.088 5.139 ( -6.909 -0.000 -0.991) 6.980 5.514 ( -0.107 -0.000 -0.706) 0.714 5.521 ( -0.944 -0.000 -1.227) 1.548 5.879 ( -7.238 -0.000 1.341) 7.361 5.887 ( -5.822 -0.000 0.052) 5.823 6.095 ( -1.728 -0.000 3.734) 4.114 6.149 ( -3.362 -0.000 -1.791) 3.809 7.951 ( 5.261 0.000 0.650) 5.301 7.965 ( 5.546 0.000 -0.773) 5.600 9.254 ( 0.534 0.000 3.212) 3.256 9.313 ( 0.351 0.000 -2.912) 2.933 9.561 ( -0.070 -0.000 0.926) 0.929 9.579 ( 1.087 0.000 -0.935) 1.434 9.890 ( 1.156 0.000 0.399) 1.223 9.899 ( 0.821 0.000 -0.604) 1.019 ======================= Grid point 527 (174/192) ======================= q-point: (-0.67 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -7.217 0.322 2.381) 7.606 2.826 ( -7.933 0.311 -1.718) 8.123 2.996 ( -16.120 0.026 7.623) 17.832 3.133 ( -13.227 0.261 -6.436) 14.712 3.348 ( -5.887 0.147 1.007) 5.974 3.370 ( -8.187 -0.081 -1.197) 8.275 3.762 ( 11.664 1.191 3.001) 12.103 3.836 ( 8.969 1.807 -4.926) 10.391 4.227 ( -1.924 0.381 2.263) 2.995 4.258 ( -1.528 -0.399 -0.822) 1.780 4.447 ( 1.741 1.946 7.875) 8.296 4.572 ( -1.947 1.104 -3.862) 4.464 4.684 ( 0.369 -1.156 3.147) 3.373 4.808 ( -3.113 -0.655 -8.417) 8.998 4.983 ( -8.940 -0.404 0.521) 8.964 4.996 ( -8.686 -2.307 -0.805) 9.023 5.460 ( -6.016 0.633 -0.149) 6.051 5.467 ( -5.710 0.272 -0.897) 5.786 5.696 ( -10.375 -0.180 1.581) 10.496 5.721 ( -10.165 -0.720 -1.219) 10.263 6.050 ( -2.138 0.285 3.160) 3.826 6.093 ( -2.297 -1.056 -1.338) 2.861 8.143 ( 14.127 -0.067 0.763) 14.147 8.158 ( 14.016 -0.043 -0.756) 14.036 9.266 ( 1.213 0.217 2.510) 2.796 9.314 ( 0.349 0.024 -2.544) 2.568 9.548 ( -2.225 -0.125 1.885) 2.919 9.582 ( -1.594 -0.049 -1.734) 2.355 9.948 ( 4.848 -0.090 0.427) 4.868 9.957 ( 5.082 0.020 -0.504) 5.107 ======================= Grid point 528 (175/192) ======================= q-point: (-0.60 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -27.160 0.166 8.324) 28.407 2.635 ( -16.310 1.386 -0.993) 16.399 2.679 ( -6.751 1.554 1.966) 7.201 2.767 ( -16.185 2.440 -6.488) 17.607 3.239 ( -6.015 0.897 -0.058) 6.082 3.263 ( -4.527 0.323 -2.744) 5.304 3.883 ( 1.532 3.963 2.970) 5.184 3.918 ( 0.706 2.192 -0.316) 2.324 4.162 ( -5.303 0.453 2.162) 5.744 4.210 ( -4.833 -0.589 -2.486) 5.467 4.434 ( -3.208 3.617 5.252) 7.138 4.533 ( -1.280 1.091 -4.657) 4.951 4.694 ( -4.400 -2.783 1.975) 5.568 4.723 ( -5.489 -0.004 -0.381) 5.502 4.807 ( -10.052 -3.805 -2.070) 10.946 4.815 ( -10.686 -2.294 -2.249) 11.158 5.266 ( -11.561 2.181 0.840) 11.795 5.283 ( -11.120 0.826 -0.950) 11.192 5.578 ( -2.163 -0.725 1.794) 2.902 5.609 ( -1.095 -0.981 -1.536) 2.126 6.043 ( 2.000 -0.064 3.115) 3.702 6.096 ( 1.710 -2.901 -2.494) 4.190 8.448 ( 17.101 -0.150 0.678) 17.116 8.460 ( 17.007 -0.235 -0.594) 17.019 9.306 ( 3.355 0.571 1.807) 3.853 9.342 ( 2.546 -0.324 -1.911) 3.200 9.472 ( -5.541 -0.293 2.221) 5.976 9.513 ( -5.508 -0.189 -2.066) 5.886 10.052 ( 5.288 -0.248 0.806) 5.355 10.067 ( 5.755 -0.268 -0.804) 5.818 ======================= Grid point 529 (176/192) ======================= q-point: (-0.53 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -28.257 0.352 9.335) 29.761 2.156 ( -26.937 1.134 -6.957) 27.844 2.560 ( -3.945 6.658 2.101) 8.020 2.585 ( -4.782 7.854 -0.311) 9.200 3.106 ( -7.386 1.236 -0.129) 7.490 3.151 ( -6.972 0.907 -5.244) 8.771 3.793 ( -9.077 2.481 4.610) 10.478 3.847 ( -7.400 2.144 -0.147) 7.706 3.982 ( -14.538 -0.492 3.153) 14.884 4.071 ( -9.744 0.087 -4.599) 10.775 4.185 ( -22.765 1.197 4.785) 23.293 4.264 ( -19.366 -1.401 -3.089) 19.661 4.571 ( -9.021 -0.353 1.128) 9.098 4.604 ( -7.580 0.648 -1.627) 7.779 4.729 ( -1.000 -1.064 1.788) 2.309 4.775 ( 0.583 -3.505 -2.858) 4.560 5.095 ( -3.906 1.463 0.132) 4.173 5.113 ( -4.983 1.368 -1.588) 5.406 5.613 ( 5.460 0.034 3.705) 6.598 5.679 ( 7.457 0.606 -3.296) 8.176 6.130 ( 6.689 -1.083 3.780) 7.759 6.199 ( 6.669 -3.597 -3.371) 8.293 8.761 ( 15.205 -0.233 0.729) 15.224 8.774 ( 15.322 -0.558 -0.688) 15.348 9.304 ( -7.127 -0.043 2.092) 7.427 9.343 ( -6.001 -0.190 -1.939) 6.310 9.431 ( 4.208 0.349 1.669) 4.540 9.465 ( 4.630 -1.116 -1.711) 5.061 10.130 ( 2.314 -0.663 1.363) 2.766 10.156 ( 2.832 -0.990 -1.348) 3.290 ======================= Grid point 530 (177/192) ======================= q-point: (-0.47 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -18.848 2.100 9.603) 21.257 1.703 ( -18.202 2.752 -8.113) 20.117 2.426 ( -4.064 13.584 3.070) 14.508 2.441 ( -3.504 11.915 1.755) 12.543 2.938 ( -10.485 2.840 -1.682) 10.992 2.980 ( -11.376 2.258 -6.316) 13.206 3.398 ( -29.165 0.214 2.935) 29.313 3.454 ( -29.476 -0.813 -2.719) 29.612 3.755 ( -10.657 -0.113 4.528) 11.580 3.813 ( -12.952 -0.039 0.948) 12.987 3.894 ( -9.580 -1.436 3.837) 10.420 3.996 ( -10.947 -3.178 -5.457) 12.638 4.361 ( -13.326 -0.075 3.344) 13.740 4.428 ( -9.864 1.597 -3.264) 10.512 4.678 ( -5.800 -3.529 6.456) 9.369 4.775 ( -2.032 -3.324 -2.968) 4.898 5.087 ( 4.318 3.569 -1.014) 5.693 5.125 ( 5.887 2.740 -5.072) 8.239 5.757 ( 9.477 2.068 5.196) 11.004 5.843 ( 10.125 2.912 -4.169) 11.330 6.301 ( 10.145 -2.171 4.631) 11.361 6.382 ( 10.147 -3.228 -3.889) 11.336 8.971 ( 2.774 -0.273 1.177) 3.026 8.993 ( 3.189 -0.899 -1.109) 3.494 9.183 ( -0.400 -0.471 1.791) 1.895 9.218 ( -2.354 -0.225 -1.831) 2.991 9.561 ( 8.070 -0.052 2.093) 8.337 9.600 ( 7.703 -1.150 -1.980) 8.036 10.141 ( -1.880 -1.381 1.956) 3.045 10.179 ( -1.547 -2.071 -1.998) 3.266 ======================= Grid point 531 (178/192) ======================= q-point: (-0.40 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -5.144 5.973 9.293) 12.186 1.465 ( -4.625 5.262 -9.588) 11.875 2.185 ( -14.985 15.625 7.176) 22.808 2.287 ( -7.566 14.039 -1.709) 16.039 2.506 ( -26.626 6.887 2.791) 27.644 2.611 ( -20.376 7.853 -6.324) 22.734 3.023 ( -8.687 -1.954 1.882) 9.101 3.091 ( -8.607 -2.130 -4.724) 10.047 3.517 ( -14.491 -1.748 2.162) 14.755 3.557 ( -15.006 -2.499 -1.861) 15.326 3.775 ( -5.650 -1.756 4.610) 7.501 3.839 ( -9.067 -3.908 -2.743) 10.247 4.105 ( -12.681 -0.739 6.676) 14.350 4.239 ( -8.330 0.546 -6.472) 10.563 4.604 ( -4.208 -5.094 10.003) 11.988 4.768 ( -0.973 -3.816 -5.891) 7.086 5.177 ( 7.104 4.972 -0.193) 8.674 5.231 ( 7.134 4.515 -5.759) 10.220 5.908 ( 8.225 4.891 5.417) 10.996 5.993 ( 8.031 5.205 -3.715) 10.266 6.535 ( 12.502 -2.955 4.451) 13.596 6.617 ( 12.568 -2.877 -4.127) 13.538 8.843 ( -10.932 -0.730 1.748) 11.095 8.875 ( -10.817 -0.693 -1.582) 10.954 9.317 ( 8.729 -0.375 0.377) 8.745 9.325 ( 8.746 -0.519 -0.454) 8.774 9.707 ( 6.509 -0.448 1.989) 6.821 9.746 ( 6.345 -1.107 -2.042) 6.757 10.080 ( -5.340 -1.943 2.159) 6.079 10.123 ( -5.931 -2.873 -2.278) 6.973 ======================= Grid point 532 (179/192) ======================= q-point: (-0.33 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.954 10.609 8.799) 13.816 1.400 ( 0.535 8.731 -11.100) 14.133 1.619 ( -28.560 12.459 5.386) 31.622 1.724 ( -29.623 11.235 -5.518) 32.159 2.324 ( 2.679 9.331 5.364) 11.091 2.356 ( -1.459 14.342 1.780) 14.525 2.952 ( -1.455 0.018 0.547) 1.554 3.030 ( -0.018 0.414 -6.789) 6.802 3.274 ( -11.278 -2.209 1.419) 11.579 3.308 ( -12.000 -2.975 -2.210) 12.559 3.664 ( -7.165 -2.983 1.673) 7.940 3.694 ( -8.363 -3.541 -1.584) 9.219 3.945 ( -4.689 -1.952 10.925) 12.048 4.133 ( -3.026 -0.541 -8.098) 8.662 4.591 ( -1.339 -6.578 11.273) 13.120 4.790 ( 0.159 -5.063 -7.884) 9.372 5.262 ( 5.021 5.720 0.376) 7.620 5.320 ( 5.099 4.787 -5.116) 8.665 5.990 ( 4.379 6.944 5.374) 9.812 6.071 ( 4.203 6.369 -3.247) 8.293 6.781 ( 10.224 -3.247 5.060) 11.860 6.888 ( 13.339 -3.184 -6.314) 15.097 8.652 ( -8.847 -0.830 1.604) 9.030 8.683 ( -8.863 -0.534 -1.612) 9.024 9.460 ( 6.049 -0.340 1.049) 6.148 9.480 ( 6.879 -0.558 -0.985) 6.972 9.775 ( -0.767 -0.422 2.161) 2.332 9.820 ( -0.490 -0.625 -2.603) 2.722 9.996 ( -3.410 -1.591 1.359) 4.000 10.019 ( -4.886 -2.207 -0.979) 5.450 ======================= Grid point 533 (180/192) ======================= q-point: (-0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 13.090 9.186) 15.992 1.191 ( 0.000 15.059 5.946) 16.190 1.303 ( 0.000 13.063 -5.663) 14.237 1.366 ( 0.000 9.728 -13.627) 16.743 2.247 ( 0.000 17.580 8.601) 19.571 2.320 ( 0.000 6.980 1.552) 7.151 2.936 ( 0.000 1.650 1.140) 2.005 3.042 ( 0.000 0.600 -9.175) 9.194 3.169 ( -0.000 -1.903 1.712) 2.560 3.199 ( -0.000 -2.820 -1.494) 3.191 3.605 ( -0.000 -3.470 0.890) 3.582 3.623 ( -0.000 -3.178 -0.978) 3.324 3.925 ( -0.000 -2.996 11.307) 11.697 4.114 ( -0.000 -1.209 -8.147) 8.236 4.629 ( -0.000 -7.890 11.508) 13.952 4.830 ( -0.000 -5.975 -7.761) 9.795 5.275 ( 0.000 5.823 0.725) 5.868 5.344 ( 0.000 4.283 -5.400) 6.892 5.984 ( 0.000 7.095 5.546) 9.005 6.070 ( 0.000 6.080 -3.530) 7.030 6.909 ( -0.000 -2.409 6.903) 7.311 7.070 ( -0.000 -3.320 -10.408) 10.925 8.561 ( -0.000 -0.565 1.483) 1.587 8.591 ( -0.000 -0.144 -1.599) 1.605 9.535 ( -0.000 -0.874 1.891) 2.083 9.569 ( -0.000 -1.194 -1.696) 2.074 9.726 ( 0.000 0.690 2.203) 2.309 9.768 ( 0.000 1.244 -2.090) 2.432 9.983 ( -0.000 -1.176 1.088) 1.602 9.999 ( -0.000 -1.548 -0.416) 1.603 ======================= Grid point 542 (181/192) ======================= q-point: (-0.67 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -27.458 -0.000 8.095) 28.626 2.644 ( -17.856 -0.000 -2.430) 18.021 2.689 ( -5.189 -0.000 3.359) 6.181 2.784 ( -14.222 -0.000 -6.167) 15.502 3.245 ( -5.991 -0.000 -0.289) 5.998 3.265 ( -4.350 -0.000 -2.573) 5.054 3.914 ( 2.502 0.000 2.593) 3.603 3.929 ( -0.895 -0.000 0.882) 1.256 4.166 ( -5.420 -0.000 1.305) 5.575 4.205 ( -4.607 -0.000 -2.443) 5.215 4.470 ( -6.971 -0.000 4.152) 8.114 4.526 ( 4.123 0.000 -0.854) 4.211 4.686 ( -12.260 -0.000 -0.089) 12.260 4.713 ( -0.926 -0.000 -2.654) 2.811 4.787 ( -8.064 -0.000 -1.292) 8.167 4.796 ( -10.974 -0.000 -1.468) 11.071 5.281 ( -12.024 -0.000 0.254) 12.027 5.287 ( -11.000 -0.000 -0.379) 11.007 5.575 ( -1.846 -0.000 1.868) 2.626 5.602 ( -0.644 -0.000 -1.181) 1.345 6.047 ( 2.248 0.000 1.476) 2.690 6.072 ( 1.052 0.000 -1.191) 1.589 8.447 ( 17.103 0.000 0.667) 17.116 8.458 ( 16.939 0.000 -0.547) 16.948 9.311 ( 3.490 0.000 1.444) 3.777 9.340 ( 2.324 0.000 -1.592) 2.817 9.470 ( -5.538 -0.000 2.258) 5.981 9.511 ( -5.587 -0.000 -2.120) 5.975 10.050 ( 5.242 0.000 0.821) 5.306 10.065 ( 5.639 0.000 -0.794) 5.694 ======================= Grid point 544 (182/192) ======================= q-point: (-0.60 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -27.888 0.090 9.540) 29.475 2.165 ( -26.544 0.370 -7.536) 27.596 2.620 ( -1.982 2.443 2.924) 4.295 2.657 ( -3.011 2.941 -0.704) 4.267 3.115 ( -7.772 0.310 -0.286) 7.784 3.159 ( -6.912 0.263 -5.222) 8.667 3.817 ( -11.030 1.032 4.550) 11.976 3.867 ( -7.501 0.752 0.705) 7.572 3.978 ( -15.017 -0.167 3.000) 15.315 4.069 ( -10.086 -0.203 -4.050) 10.870 4.206 ( -22.018 1.832 2.585) 22.245 4.240 ( -22.612 -1.957 -1.392) 22.739 4.564 ( -8.313 -0.368 1.738) 8.501 4.616 ( -5.740 0.711 -2.902) 6.472 4.715 ( -0.170 -0.758 0.677) 1.031 4.746 ( -0.095 -1.007 -2.116) 2.346 5.105 ( -4.291 0.256 0.262) 4.307 5.126 ( -4.643 0.493 -1.596) 4.934 5.619 ( 6.494 0.512 4.206) 7.754 5.685 ( 8.583 0.310 -2.900) 9.065 6.128 ( 6.305 0.863 1.280) 6.491 6.155 ( 6.752 -2.888 -1.496) 7.495 8.759 ( 15.219 -0.059 0.589) 15.230 8.769 ( 15.188 -0.240 -0.455) 15.197 9.303 ( -7.749 -0.010 2.043) 8.014 9.341 ( -5.618 -0.082 -1.853) 5.917 9.437 ( 3.789 0.497 0.639) 3.875 9.452 ( 4.989 -0.769 -0.862) 5.121 10.124 ( 2.125 -0.236 1.263) 2.483 10.147 ( 2.555 -0.316 -1.195) 2.838 ======================= Grid point 545 (183/192) ======================= q-point: (-0.53 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -17.611 1.089 9.961) 20.262 1.730 ( -17.452 1.430 -8.411) 19.426 2.565 ( -1.123 7.811 3.353) 8.574 2.583 ( -1.470 8.884 1.747) 9.173 2.953 ( -9.594 -0.194 -1.460) 9.706 3.000 ( -10.123 0.743 -6.815) 12.226 3.401 ( -30.805 0.239 2.217) 30.886 3.443 ( -32.070 -0.759 -2.000) 32.141 3.750 ( -11.729 -0.506 4.285) 12.498 3.802 ( -15.161 -1.215 1.063) 15.247 3.890 ( -9.668 0.704 2.605) 10.038 3.955 ( -10.992 -2.915 -4.042) 12.069 4.366 ( -12.918 0.592 4.564) 13.713 4.453 ( -9.997 1.764 -3.755) 10.824 4.638 ( -7.011 -2.371 5.709) 9.347 4.738 ( -1.837 -2.260 -4.350) 5.235 5.124 ( 4.958 2.098 -0.978) 5.472 5.150 ( 6.973 1.218 -4.111) 8.186 5.786 ( 11.128 2.148 5.832) 12.746 5.879 ( 11.740 2.323 -4.214) 12.688 6.277 ( 9.270 -1.286 3.406) 9.959 6.339 ( 10.205 -3.132 -3.046) 11.100 8.970 ( 2.773 0.050 0.739) 2.870 8.982 ( 3.036 -0.819 -0.517) 3.186 9.178 ( -0.340 -0.253 1.816) 1.864 9.215 ( -2.528 -0.139 -2.031) 3.246 9.562 ( 7.835 0.144 1.354) 7.953 9.587 ( 7.797 -0.796 -1.309) 7.946 10.127 ( -2.157 -0.759 1.709) 2.855 10.159 ( -1.830 -1.007 -1.640) 2.656 ======================= Grid point 546 (184/192) ======================= q-point: (-0.47 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -2.892 3.914 9.166) 10.377 1.521 ( -3.359 3.300 -8.764) 9.949 2.371 ( -18.597 12.952 6.186) 23.492 2.465 ( -9.144 13.142 -1.139) 16.051 2.581 ( -25.544 4.254 3.100) 26.080 2.700 ( -14.304 5.497 -6.558) 16.669 2.982 ( -9.419 -3.886 1.296) 10.271 3.044 ( -8.037 -4.825 -4.908) 10.582 3.493 ( -15.141 -1.855 1.335) 15.313 3.523 ( -15.652 -2.407 -1.519) 15.909 3.757 ( -6.244 -1.095 3.330) 7.161 3.792 ( -9.143 -3.152 -1.094) 9.732 4.107 ( -12.652 0.732 7.621) 14.788 4.248 ( -9.409 0.561 -5.854) 11.096 4.549 ( -4.079 -3.168 9.320) 10.655 4.723 ( -1.268 -2.966 -7.763) 8.406 5.233 ( 7.430 3.526 0.312) 8.230 5.282 ( 7.664 3.246 -5.011) 9.715 5.972 ( 10.100 4.791 5.848) 12.616 6.063 ( 9.640 5.292 -3.811) 11.639 6.490 ( 11.285 -3.682 4.263) 12.613 6.571 ( 11.833 -3.937 -4.152) 13.144 8.835 ( -11.107 -0.564 1.701) 11.250 8.867 ( -10.779 -0.603 -1.619) 10.917 9.313 ( 8.868 -0.232 0.235) 8.874 9.319 ( 8.658 -0.452 -0.350) 8.677 9.702 ( 6.349 -0.269 1.597) 6.552 9.733 ( 6.527 -0.800 -1.619) 6.773 10.059 ( -5.360 -1.354 1.905) 5.847 10.094 ( -5.618 -1.579 -1.810) 6.110 ======================= Grid point 547 (185/192) ======================= q-point: (-0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 2.845 8.040 8.207) 11.836 1.501 ( 2.449 6.524 -9.774) 12.004 1.769 ( -28.657 10.439 4.564) 30.839 1.855 ( -29.415 8.582 -4.400) 30.955 2.437 ( 0.836 8.797 7.596) 11.652 2.540 ( 0.018 13.248 -2.568) 13.495 2.932 ( -0.859 -2.983 1.110) 3.296 3.019 ( 0.635 -2.308 -7.061) 7.456 3.246 ( -11.301 -2.151 0.677) 11.524 3.269 ( -11.961 -2.934 -1.804) 12.447 3.629 ( -7.702 -2.446 1.329) 8.189 3.652 ( -7.563 -2.845 -1.057) 8.149 3.932 ( -5.094 -0.235 11.703) 12.765 4.124 ( -3.831 -1.005 -7.256) 8.266 4.521 ( -1.530 -3.998 10.580) 11.414 4.732 ( -0.241 -3.861 -9.848) 10.580 5.330 ( 5.060 4.619 0.895) 6.910 5.380 ( 4.940 4.321 -4.222) 7.804 6.084 ( 5.534 7.305 5.321) 10.598 6.162 ( 5.056 7.393 -2.756) 9.371 6.723 ( 9.128 -5.435 4.805) 11.660 6.828 ( 11.216 -5.905 -6.115) 14.074 8.642 ( -8.670 -0.686 1.733) 8.868 8.677 ( -8.570 -0.477 -1.831) 8.777 9.456 ( 5.958 -0.281 0.846) 6.025 9.472 ( 6.666 -0.590 -0.818) 6.742 9.770 ( -0.333 -0.287 2.215) 2.258 9.814 ( 0.471 -0.371 -2.338) 2.414 9.976 ( -2.995 -1.413 1.247) 3.538 9.997 ( -4.076 -1.311 -0.860) 4.367 ======================= Grid point 548 (186/192) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.000 10.927 8.129) 13.619 1.373 ( 0.000 12.726 4.617) 13.538 1.460 ( 0.000 10.947 -4.446) 11.816 1.492 ( 0.000 9.095 -11.564) 14.712 2.406 ( 0.000 6.747 6.420) 9.313 2.459 ( 0.000 14.905 1.385) 14.969 2.943 ( -0.000 -0.849 0.949) 1.274 3.048 ( -0.000 -0.160 -9.113) 9.114 3.141 ( -0.000 -2.228 1.062) 2.468 3.160 ( -0.000 -3.115 -0.893) 3.240 3.562 ( -0.000 -3.013 1.112) 3.212 3.584 ( -0.000 -2.660 -1.196) 2.916 3.896 ( -0.000 -1.439 12.277) 12.361 4.100 ( -0.000 -1.251 -8.223) 8.318 4.539 ( -0.000 -5.637 11.400) 12.718 4.759 ( -0.000 -4.848 -10.014) 11.126 5.348 ( 0.000 5.284 0.992) 5.376 5.401 ( 0.000 4.454 -4.135) 6.078 6.084 ( 0.000 8.150 5.180) 9.657 6.159 ( 0.000 7.644 -2.559) 8.061 6.856 ( -0.000 -5.555 6.295) 8.396 7.000 ( -0.000 -7.124 -8.977) 11.460 8.555 ( -0.000 -0.454 1.710) 1.769 8.589 ( -0.000 -0.144 -1.868) 1.874 9.525 ( -0.000 -0.642 1.577) 1.703 9.554 ( -0.000 -1.117 -1.416) 1.803 9.735 ( 0.000 0.615 2.550) 2.623 9.782 ( 0.000 1.024 -2.396) 2.605 9.967 ( -0.000 -1.270 0.901) 1.557 9.980 ( -0.000 -1.346 -0.350) 1.391 ======================= Grid point 559 (187/192) ======================= q-point: (-0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -17.175 -0.000 10.104) 19.927 1.739 ( -17.194 -0.000 -8.487) 19.175 2.619 ( 0.501 0.000 3.816) 3.848 2.644 ( 0.058 0.000 1.393) 1.394 2.948 ( -10.075 -0.000 -1.156) 10.141 3.003 ( -10.133 -0.000 -7.229) 12.447 3.403 ( -31.298 -0.000 1.853) 31.352 3.437 ( -33.281 -0.000 -1.600) 33.319 3.746 ( -12.249 -0.000 4.066) 12.907 3.793 ( -15.439 -0.000 1.255) 15.489 3.901 ( -11.145 -0.000 1.826) 11.293 3.931 ( -9.922 -0.000 -3.326) 10.465 4.371 ( -12.678 -0.000 5.121) 13.673 4.465 ( -10.254 -0.000 -3.726) 10.910 4.622 ( -7.296 -0.000 5.268) 8.999 4.722 ( -1.791 -0.000 -4.890) 5.207 5.138 ( 5.076 0.000 -1.050) 5.184 5.158 ( 7.594 0.000 -3.759) 8.474 5.802 ( 11.716 0.000 6.033) 13.178 5.896 ( 12.445 0.000 -4.019) 13.078 6.270 ( 8.515 0.000 2.351) 8.834 6.315 ( 10.422 0.000 -2.304) 10.674 8.973 ( 1.760 0.000 0.156) 1.767 8.973 ( 3.974 0.000 0.125) 3.976 9.177 ( -0.310 -0.000 1.815) 1.842 9.214 ( -2.588 -0.000 -2.100) 3.333 9.563 ( 7.679 0.000 0.973) 7.741 9.581 ( 7.901 0.000 -0.950) 7.958 10.122 ( -2.258 -0.000 1.653) 2.798 10.152 ( -1.915 -0.000 -1.547) 2.462 ======================= Grid point 561 (188/192) ======================= q-point: (-0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -1.634 1.369 9.145) 9.390 1.549 ( -2.800 1.093 -8.090) 8.630 2.512 ( -23.495 8.144 4.705) 25.307 2.590 ( -26.905 0.736 -0.857) 26.929 2.625 ( -6.877 6.372 3.893) 10.151 2.736 ( -7.457 -0.466 -4.133) 8.538 2.944 ( -10.474 -0.971 -1.200) 10.587 2.980 ( -8.946 -4.108 -5.214) 11.140 3.472 ( -15.507 -1.059 0.978) 15.574 3.501 ( -15.729 -0.837 -1.667) 15.839 3.748 ( -6.835 -0.275 2.312) 7.221 3.762 ( -9.016 -1.313 0.099) 9.112 4.118 ( -12.551 0.645 7.989) 14.892 4.251 ( -10.772 -0.087 -3.869) 11.446 4.524 ( -3.449 -0.828 7.713) 8.490 4.695 ( -1.251 -1.200 -8.687) 8.858 5.265 ( 7.589 1.265 0.549) 7.714 5.312 ( 8.122 1.202 -4.658) 9.440 6.022 ( 11.348 2.291 6.251) 13.157 6.117 ( 11.001 2.511 -3.948) 11.954 6.451 ( 9.926 -1.836 3.907) 10.824 6.527 ( 11.058 -2.167 -4.011) 11.961 8.829 ( -11.208 -0.212 1.652) 11.331 8.861 ( -10.718 -0.241 -1.614) 10.842 9.311 ( 9.086 -0.041 0.090) 9.086 9.314 ( 8.448 -0.214 -0.221) 8.454 9.700 ( 6.197 -0.084 1.349) 6.343 9.726 ( 6.691 -0.297 -1.348) 6.832 10.046 ( -5.380 -0.485 1.897) 5.725 10.081 ( -5.419 -0.491 -1.717) 5.705 ======================= Grid point 562 (189/192) ======================= q-point: (-0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 4.222 4.466 7.914) 10.020 1.563 ( 3.544 3.091 -7.970) 9.254 1.881 ( -28.996 6.539 3.049) 29.880 1.939 ( -29.426 4.307 -2.950) 29.885 2.548 ( -0.856 7.877 8.312) 11.484 2.689 ( 0.972 9.165 -4.697) 10.344 2.885 ( -0.130 -3.246 0.569) 3.298 2.970 ( 1.433 -5.082 -7.019) 8.783 3.219 ( -11.246 -1.798 0.324) 11.393 3.238 ( -11.941 -1.716 -1.731) 12.187 3.602 ( -7.864 -1.583 1.294) 8.125 3.624 ( -6.918 -1.479 -0.830) 7.123 3.936 ( -5.583 0.720 11.511) 12.814 4.106 ( -4.897 -1.645 -4.035) 6.555 4.489 ( -1.208 -1.148 8.291) 8.457 4.692 ( -0.303 -2.163 -10.898) 11.115 5.378 ( 5.107 2.601 1.398) 5.900 5.427 ( 4.994 2.687 -3.794) 6.824 6.171 ( 6.627 5.680 5.684) 10.416 6.253 ( 6.038 6.148 -2.752) 9.045 6.651 ( 7.981 -5.019 4.191) 10.317 6.748 ( 9.053 -5.665 -5.728) 12.119 8.635 ( -8.498 -0.389 1.817) 8.699 8.672 ( -8.316 -0.279 -1.968) 8.550 9.453 ( 5.900 -0.148 0.649) 5.937 9.466 ( 6.522 -0.385 -0.627) 6.563 9.767 ( 0.026 -0.151 2.273) 2.278 9.810 ( 1.164 -0.170 -2.208) 2.502 9.961 ( -2.766 -0.804 1.358) 3.184 9.985 ( -3.782 -0.609 -1.047) 3.971 ======================= Grid point 563 (190/192) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 7.400 7.871) 10.804 1.514 ( 0.000 8.798 3.481) 9.461 1.580 ( 0.000 7.277 -3.328) 8.002 1.589 ( 0.000 5.629 -9.446) 10.996 2.496 ( 0.000 7.132 8.555) 11.138 2.633 ( 0.000 11.826 -4.566) 12.676 2.916 ( -0.000 -2.901 1.811) 3.420 3.028 ( -0.000 -3.168 -8.873) 9.422 3.113 ( -0.000 -2.056 0.537) 2.125 3.123 ( -0.000 -2.477 -0.474) 2.522 3.529 ( -0.000 -2.017 1.367) 2.436 3.556 ( -0.000 -1.711 -1.403) 2.212 3.887 ( -0.000 -0.078 12.528) 12.528 4.077 ( -0.000 -2.346 -5.525) 6.003 4.488 ( -0.000 -2.158 9.424) 9.668 4.707 ( -0.000 -3.105 -11.438) 11.852 5.408 ( 0.000 3.735 1.488) 4.021 5.455 ( 0.000 3.669 -3.402) 5.004 6.189 ( 0.000 7.715 5.242) 9.327 6.263 ( 0.000 8.003 -2.220) 8.305 6.774 ( -0.000 -6.677 5.135) 8.423 6.896 ( -0.000 -8.464 -7.555) 11.346 8.550 ( -0.000 -0.293 1.864) 1.887 8.587 ( -0.000 -0.103 -2.054) 2.057 9.519 ( -0.000 -0.382 1.245) 1.302 9.541 ( -0.000 -0.809 -1.101) 1.366 9.742 ( 0.000 0.420 2.788) 2.819 9.793 ( 0.000 0.669 -2.604) 2.689 9.952 ( -0.000 -0.996 0.882) 1.331 9.965 ( -0.000 -0.891 -0.468) 1.006 ======================= Grid point 576 (191/192) ======================= q-point: (-0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 4.768 0.000 7.746) 9.095 1.583 ( 3.823 0.000 -7.068) 8.036 1.927 ( -29.314 -0.000 2.032) 29.385 1.966 ( -29.362 -0.000 -1.995) 29.430 2.611 ( -1.879 -0.000 8.416) 8.623 2.748 ( 1.480 0.000 -1.653) 2.219 2.884 ( -0.178 -0.000 -6.099) 6.101 2.908 ( 2.380 0.000 -4.380) 4.985 3.206 ( -11.172 -0.000 0.404) 11.179 3.227 ( -11.997 -0.000 -1.885) 12.144 3.592 ( -7.776 -0.000 1.394) 7.900 3.614 ( -6.763 -0.000 -0.820) 6.813 3.943 ( -5.775 -0.000 11.053) 12.470 4.093 ( -5.370 -0.000 -2.025) 5.739 4.483 ( -1.032 -0.000 6.952) 7.029 4.678 ( -0.275 -0.000 -11.167) 11.171 5.395 ( 5.130 0.000 1.617) 5.379 5.445 ( 5.049 0.000 -3.687) 6.251 6.212 ( 7.235 0.000 6.016) 9.409 6.298 ( 6.616 0.000 -2.793) 7.181 6.614 ( 7.428 0.000 3.704) 8.300 6.705 ( 7.911 0.000 -5.511) 9.641 8.633 ( -8.428 -0.000 1.846) 8.628 8.670 ( -8.216 -0.000 -2.014) 8.460 9.452 ( 5.877 0.000 0.563) 5.904 9.463 ( 6.475 0.000 -0.540) 6.498 9.767 ( 0.165 0.000 2.297) 2.303 9.809 ( 1.410 0.000 -2.173) 2.590 9.956 ( -2.701 -0.000 1.418) 3.050 9.981 ( -3.715 -0.000 -1.142) 3.887 ======================= Grid point 578 (192/192) ======================= q-point: (-0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 2.712 7.586) 8.056 1.594 ( 0.000 3.232 2.684) 4.201 1.636 ( 0.000 1.707 -7.645) 7.834 1.644 ( 0.000 2.516 -2.518) 3.560 2.577 ( 0.000 4.273 8.835) 9.814 2.747 ( 0.000 4.478 -5.967) 7.460 2.892 ( 0.000 0.800 -1.003) 1.283 2.969 ( -0.000 -5.179 -6.864) 8.599 3.092 ( -0.000 -0.934 0.406) 1.018 3.100 ( -0.000 -0.892 -0.436) 0.993 3.511 ( -0.000 -0.703 1.544) 1.696 3.541 ( -0.000 -0.583 -1.528) 1.636 3.890 ( 0.000 0.371 11.888) 11.894 4.049 ( -0.000 -1.466 -2.126) 2.583 4.475 ( -0.000 -0.261 7.126) 7.131 4.680 ( -0.000 -1.103 -11.939) 11.990 5.441 ( 0.000 1.355 1.912) 2.344 5.490 ( 0.000 1.451 -3.148) 3.466 6.270 ( 0.000 3.929 5.740) 6.956 6.349 ( 0.000 4.183 -2.088) 4.675 6.702 ( -0.000 -3.452 3.609) 4.995 6.802 ( -0.000 -4.733 -6.458) 8.007 8.547 ( -0.000 -0.101 1.942) 1.945 8.587 ( -0.000 -0.037 -2.149) 2.149 9.515 ( -0.000 -0.121 1.025) 1.032 9.533 ( -0.000 -0.300 -0.888) 0.937 9.745 ( 0.000 0.148 2.909) 2.913 9.799 ( 0.000 0.232 -2.709) 2.719 9.942 ( -0.000 -0.375 0.920) 0.994 9.957 ( -0.000 -0.312 -0.587) 0.665 =================== 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 3/33750 10.0 119.174 470.569 180.886 0.000 0.000 0.000 3/33750 20.0 123.278 115.599 72.767 0.000 0.000 0.000 3/33750 30.0 79.157 43.168 29.203 0.000 0.000 0.000 3/33750 40.0 52.328 21.681 14.751 0.000 0.000 0.000 3/33750 50.0 38.048 13.358 9.121 0.000 0.000 0.000 3/33750 60.0 29.680 9.370 6.441 0.000 0.000 0.000 3/33750 70.0 24.298 7.142 4.950 0.000 0.000 0.000 3/33750 80.0 20.578 5.755 4.019 0.000 0.000 0.000 3/33750 90.0 17.865 4.818 3.388 0.000 0.000 0.000 3/33750 100.0 15.802 4.147 2.934 0.000 0.000 0.000 3/33750 110.0 14.181 3.644 2.591 0.000 0.000 0.000 3/33750 120.0 12.873 3.253 2.323 0.000 0.000 0.000 3/33750 130.0 11.794 2.941 2.108 0.000 0.000 0.000 3/33750 140.0 10.889 2.685 1.931 0.000 0.000 0.000 3/33750 150.0 10.117 2.472 1.782 0.000 0.000 0.000 3/33750 160.0 9.451 2.292 1.656 0.000 0.000 0.000 3/33750 170.0 8.870 2.137 1.547 0.000 0.000 0.000 3/33750 180.0 8.359 2.002 1.452 0.000 0.000 0.000 3/33750 190.0 7.904 1.884 1.369 0.000 0.000 0.000 3/33750 200.0 7.498 1.780 1.294 0.000 0.000 0.000 3/33750 210.0 7.132 1.687 1.228 0.000 0.000 0.000 3/33750 220.0 6.801 1.603 1.169 0.000 0.000 0.000 3/33750 230.0 6.500 1.528 1.115 0.000 0.000 0.000 3/33750 240.0 6.225 1.459 1.066 0.000 0.000 0.000 3/33750 250.0 5.973 1.397 1.021 0.000 0.000 0.000 3/33750 260.0 5.741 1.340 0.980 0.000 0.000 0.000 3/33750 270.0 5.526 1.287 0.942 0.000 0.000 0.000 3/33750 280.0 5.327 1.239 0.907 0.000 0.000 0.000 3/33750 290.0 5.142 1.194 0.875 0.000 0.000 0.000 3/33750 300.0 4.969 1.152 0.844 0.000 0.000 0.000 3/33750 310.0 4.808 1.113 0.816 0.000 0.000 0.000 3/33750 320.0 4.657 1.077 0.790 0.000 0.000 0.000 3/33750 330.0 4.515 1.043 0.765 0.000 0.000 0.000 3/33750 340.0 4.382 1.011 0.742 0.000 0.000 0.000 3/33750 350.0 4.256 0.981 0.721 0.000 0.000 0.000 3/33750 360.0 4.138 0.953 0.700 0.000 0.000 0.000 3/33750 370.0 4.026 0.927 0.681 0.000 0.000 0.000 3/33750 380.0 3.920 0.902 0.663 0.000 0.000 0.000 3/33750 390.0 3.819 0.878 0.645 0.000 0.000 0.000 3/33750 400.0 3.723 0.855 0.629 0.000 0.000 0.000 3/33750 410.0 3.633 0.834 0.613 0.000 0.000 0.000 3/33750 420.0 3.546 0.814 0.598 0.000 0.000 0.000 3/33750 430.0 3.463 0.794 0.584 0.000 0.000 0.000 3/33750 440.0 3.385 0.776 0.571 0.000 0.000 0.000 3/33750 450.0 3.310 0.758 0.558 0.000 0.000 0.000 3/33750 460.0 3.238 0.742 0.546 0.000 0.000 0.000 3/33750 470.0 3.169 0.725 0.534 0.000 0.000 0.000 3/33750 480.0 3.103 0.710 0.523 0.000 0.000 0.000 3/33750 490.0 3.039 0.695 0.512 0.000 0.000 0.000 3/33750 500.0 2.979 0.681 0.502 0.000 0.000 0.000 3/33750 510.0 2.920 0.668 0.492 0.000 0.000 0.000 3/33750 520.0 2.864 0.655 0.482 0.000 0.000 0.000 3/33750 530.0 2.810 0.642 0.473 0.000 0.000 0.000 3/33750 540.0 2.758 0.630 0.464 0.000 0.000 0.000 3/33750 550.0 2.708 0.618 0.456 0.000 0.000 0.000 3/33750 560.0 2.660 0.607 0.447 0.000 0.000 0.000 3/33750 570.0 2.613 0.596 0.439 0.000 0.000 0.000 3/33750 580.0 2.568 0.586 0.432 0.000 0.000 0.000 3/33750 590.0 2.525 0.576 0.424 0.000 0.000 0.000 3/33750 600.0 2.483 0.566 0.417 0.000 0.000 0.000 3/33750 610.0 2.442 0.557 0.410 0.000 0.000 0.000 3/33750 620.0 2.403 0.548 0.404 0.000 0.000 0.000 3/33750 630.0 2.365 0.539 0.397 0.000 0.000 0.000 3/33750 640.0 2.328 0.531 0.391 0.000 0.000 0.000 3/33750 650.0 2.292 0.522 0.385 0.000 0.000 0.000 3/33750 660.0 2.257 0.514 0.379 0.000 0.000 0.000 3/33750 670.0 2.224 0.507 0.373 0.000 0.000 0.000 3/33750 680.0 2.191 0.499 0.368 0.000 0.000 0.000 3/33750 690.0 2.160 0.492 0.363 0.000 0.000 0.000 3/33750 700.0 2.129 0.485 0.357 0.000 0.000 0.000 3/33750 710.0 2.099 0.478 0.352 0.000 0.000 0.000 3/33750 720.0 2.070 0.471 0.347 0.000 0.000 0.000 3/33750 730.0 2.041 0.465 0.343 0.000 0.000 0.000 3/33750 740.0 2.014 0.458 0.338 0.000 0.000 0.000 3/33750 750.0 1.987 0.452 0.333 0.000 0.000 0.000 3/33750 760.0 1.961 0.446 0.329 0.000 0.000 0.000 3/33750 770.0 1.936 0.440 0.325 0.000 0.000 0.000 3/33750 780.0 1.911 0.435 0.321 0.000 0.000 0.000 3/33750 790.0 1.887 0.429 0.317 0.000 0.000 0.000 3/33750 800.0 1.863 0.424 0.313 0.000 0.000 0.000 3/33750 810.0 1.840 0.419 0.309 0.000 0.000 0.000 3/33750 820.0 1.818 0.413 0.305 0.000 0.000 0.000 3/33750 830.0 1.796 0.408 0.301 0.000 0.000 0.000 3/33750 840.0 1.775 0.404 0.298 0.000 0.000 0.000 3/33750 850.0 1.754 0.399 0.294 0.000 0.000 0.000 3/33750 860.0 1.733 0.394 0.291 0.000 0.000 0.000 3/33750 870.0 1.713 0.390 0.287 0.000 0.000 0.000 3/33750 880.0 1.694 0.385 0.284 0.000 0.000 0.000 3/33750 890.0 1.675 0.381 0.281 0.000 0.000 0.000 3/33750 900.0 1.656 0.376 0.278 0.000 0.000 0.000 3/33750 910.0 1.638 0.372 0.275 0.000 0.000 0.000 3/33750 920.0 1.620 0.368 0.272 0.000 0.000 0.000 3/33750 930.0 1.603 0.364 0.269 0.000 0.000 0.000 3/33750 940.0 1.586 0.360 0.266 0.000 0.000 0.000 3/33750 950.0 1.569 0.357 0.263 0.000 0.000 0.000 3/33750 960.0 1.553 0.353 0.260 0.000 0.000 0.000 3/33750 970.0 1.537 0.349 0.258 0.000 0.000 0.000 3/33750 980.0 1.521 0.346 0.255 0.000 0.000 0.000 3/33750 990.0 1.506 0.342 0.252 0.000 0.000 0.000 3/33750 1000.0 1.491 0.339 0.250 0.000 0.000 0.000 3/33750 Thermal conductivity related properties were written into "kappa-m15155.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:40:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|