----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:38:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.728409761140523 0.000000000000000 0.000000000000000 b 0.000000000000000 5.218174469999999 0.000000000000000 c -4.886227022162104 0.000000000000000 9.327962386161913 Atomic positions (fractional): *1 Li 0.77182911770483 0.83287090986750 0.44898052983237 6.941 2 Li 0.22817088229517 0.33287090986750 0.05101947016763 6.941 3 Li 0.22817088229517 0.16712909013250 0.55101947016763 6.941 4 Li 0.77182911770483 0.66712909013250 0.94898052983237 6.941 *5 Li 0.76583249161906 0.08416305960394 0.17252807057089 6.941 6 Li 0.23416750838094 0.58416305960394 0.32747192942911 6.941 7 Li 0.23416750838094 0.91583694039606 0.82747192942911 6.941 8 Li 0.76583249161906 0.41583694039606 0.67252807057089 6.941 *9 As 0.71654540355118 0.33427087864141 0.40184126332340 74.922 10 As 0.28345459644882 0.83427087864141 0.09815873667660 74.922 11 As 0.28345459644882 0.66572912135859 0.59815873667660 74.922 12 As 0.71654540355118 0.16572912135859 0.90184126332340 74.922 *13 As 0.69691639208419 0.57827373669113 0.19654480445895 74.922 14 As 0.30308360791581 0.07827373669113 0.30345519554105 74.922 15 As 0.30308360791581 0.42172626330887 0.80345519554105 74.922 16 As 0.69691639208419 0.92172626330887 0.69654480445895 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.728409761140523 0.000000000000000 0.000000000000000 b 0.000000000000000 5.218174469999999 0.000000000000000 c -4.886227022162104 0.000000000000000 9.327962386161913 Atomic positions (fractional): *1 Li 0.77182911770483 0.83287090986750 0.44898052983237 6.941 > 1 2 Li 0.22817088229517 0.33287090986750 0.05101947016763 6.941 > 2 3 Li 0.22817088229517 0.16712909013250 0.55101947016763 6.941 > 3 4 Li 0.77182911770483 0.66712909013250 0.94898052983237 6.941 > 4 *5 Li 0.76583249161906 0.08416305960394 0.17252807057089 6.941 > 5 6 Li 0.23416750838094 0.58416305960394 0.32747192942911 6.941 > 6 7 Li 0.23416750838094 0.91583694039606 0.82747192942911 6.941 > 7 8 Li 0.76583249161906 0.41583694039606 0.67252807057089 6.941 > 8 *9 As 0.71654540355118 0.33427087864141 0.40184126332340 74.922 > 9 10 As 0.28345459644882 0.83427087864141 0.09815873667660 74.922 > 10 11 As 0.28345459644882 0.66572912135859 0.59815873667660 74.922 > 11 12 As 0.71654540355118 0.16572912135859 0.90184126332340 74.922 > 12 *13 As 0.69691639208419 0.57827373669113 0.19654480445895 74.922 > 13 14 As 0.30308360791581 0.07827373669113 0.30345519554105 74.922 > 14 15 As 0.30308360791581 0.42172626330887 0.80345519554105 74.922 > 15 16 As 0.69691639208419 0.92172626330887 0.69654480445895 74.922 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.456819522281046 0.000000000000000 0.000000000000000 b 0.000000000000000 15.654523409999998 0.000000000000000 c -4.886227022162104 0.000000000000000 9.327962386161913 Atomic positions (fractional): *1 Li 0.38591455885241 0.27762363662250 0.44898052983237 6.941 > 1 2 Li 0.88591455885241 0.27762363662250 0.44898052983237 6.941 > 1 3 Li 0.38591455885241 0.61095696995583 0.44898052983237 6.941 > 1 4 Li 0.88591455885241 0.61095696995583 0.44898052983237 6.941 > 1 5 Li 0.38591455885241 0.94429030328916 0.44898052983237 6.941 > 1 6 Li 0.88591455885241 0.94429030328916 0.44898052983237 6.941 > 1 7 Li 0.11408544114759 0.11095696995583 0.05101947016763 6.941 > 2 8 Li 0.61408544114759 0.11095696995583 0.05101947016763 6.941 > 2 9 Li 0.11408544114759 0.44429030328916 0.05101947016763 6.941 > 2 10 Li 0.61408544114759 0.44429030328916 0.05101947016763 6.941 > 2 11 Li 0.11408544114759 0.77762363662250 0.05101947016763 6.941 > 2 12 Li 0.61408544114759 0.77762363662250 0.05101947016763 6.941 > 2 13 Li 0.11408544114759 0.05570969671083 0.55101947016763 6.941 > 3 14 Li 0.61408544114759 0.05570969671083 0.55101947016763 6.941 > 3 15 Li 0.11408544114759 0.38904303004417 0.55101947016763 6.941 > 3 16 Li 0.61408544114759 0.38904303004417 0.55101947016763 6.941 > 3 17 Li 0.11408544114759 0.72237636337750 0.55101947016763 6.941 > 3 18 Li 0.61408544114759 0.72237636337750 0.55101947016763 6.941 > 3 19 Li 0.38591455885241 0.22237636337750 0.94898052983237 6.941 > 4 20 Li 0.88591455885241 0.22237636337750 0.94898052983237 6.941 > 4 21 Li 0.38591455885241 0.55570969671084 0.94898052983237 6.941 > 4 22 Li 0.88591455885241 0.55570969671084 0.94898052983237 6.941 > 4 23 Li 0.38591455885241 0.88904303004417 0.94898052983237 6.941 > 4 24 Li 0.88591455885241 0.88904303004417 0.94898052983237 6.941 > 4 *25 Li 0.38291624580953 0.02805435320131 0.17252807057089 6.941 > 5 26 Li 0.88291624580953 0.02805435320131 0.17252807057089 6.941 > 5 27 Li 0.38291624580953 0.36138768653465 0.17252807057089 6.941 > 5 28 Li 0.88291624580953 0.36138768653465 0.17252807057089 6.941 > 5 29 Li 0.38291624580953 0.69472101986798 0.17252807057089 6.941 > 5 30 Li 0.88291624580953 0.69472101986798 0.17252807057089 6.941 > 5 31 Li 0.11708375419047 0.19472101986798 0.32747192942911 6.941 > 6 32 Li 0.61708375419047 0.19472101986798 0.32747192942911 6.941 > 6 33 Li 0.11708375419047 0.52805435320131 0.32747192942911 6.941 > 6 34 Li 0.61708375419047 0.52805435320131 0.32747192942911 6.941 > 6 35 Li 0.11708375419047 0.86138768653465 0.32747192942911 6.941 > 6 36 Li 0.61708375419047 0.86138768653465 0.32747192942911 6.941 > 6 37 Li 0.11708375419047 0.30527898013202 0.82747192942911 6.941 > 7 38 Li 0.61708375419047 0.30527898013202 0.82747192942911 6.941 > 7 39 Li 0.11708375419047 0.63861231346535 0.82747192942911 6.941 > 7 40 Li 0.61708375419047 0.63861231346535 0.82747192942911 6.941 > 7 41 Li 0.11708375419047 0.97194564679869 0.82747192942911 6.941 > 7 42 Li 0.61708375419047 0.97194564679869 0.82747192942911 6.941 > 7 43 Li 0.38291624580953 0.13861231346535 0.67252807057089 6.941 > 8 44 Li 0.88291624580953 0.13861231346535 0.67252807057089 6.941 > 8 45 Li 0.38291624580953 0.47194564679869 0.67252807057089 6.941 > 8 46 Li 0.88291624580953 0.47194564679869 0.67252807057089 6.941 > 8 47 Li 0.38291624580953 0.80527898013202 0.67252807057089 6.941 > 8 48 Li 0.88291624580953 0.80527898013202 0.67252807057089 6.941 > 8 *49 As 0.35827270177559 0.11142362621380 0.40184126332340 74.922 > 9 50 As 0.85827270177559 0.11142362621380 0.40184126332340 74.922 > 9 51 As 0.35827270177559 0.44475695954714 0.40184126332340 74.922 > 9 52 As 0.85827270177559 0.44475695954714 0.40184126332340 74.922 > 9 53 As 0.35827270177559 0.77809029288047 0.40184126332340 74.922 > 9 54 As 0.85827270177559 0.77809029288047 0.40184126332340 74.922 > 9 55 As 0.14172729822441 0.27809029288047 0.09815873667660 74.922 > 10 56 As 0.64172729822441 0.27809029288047 0.09815873667660 74.922 > 10 57 As 0.14172729822441 0.61142362621380 0.09815873667660 74.922 > 10 58 As 0.64172729822441 0.61142362621380 0.09815873667660 74.922 > 10 59 As 0.14172729822441 0.94475695954714 0.09815873667660 74.922 > 10 60 As 0.64172729822441 0.94475695954714 0.09815873667660 74.922 > 10 61 As 0.14172729822441 0.22190970711953 0.59815873667660 74.922 > 11 62 As 0.64172729822441 0.22190970711953 0.59815873667660 74.922 > 11 63 As 0.14172729822441 0.55524304045286 0.59815873667660 74.922 > 11 64 As 0.64172729822441 0.55524304045286 0.59815873667660 74.922 > 11 65 As 0.14172729822441 0.88857637378620 0.59815873667660 74.922 > 11 66 As 0.64172729822441 0.88857637378620 0.59815873667660 74.922 > 11 67 As 0.35827270177559 0.05524304045286 0.90184126332340 74.922 > 12 68 As 0.85827270177559 0.05524304045286 0.90184126332340 74.922 > 12 69 As 0.35827270177559 0.38857637378620 0.90184126332340 74.922 > 12 70 As 0.85827270177559 0.38857637378620 0.90184126332340 74.922 > 12 71 As 0.35827270177559 0.72190970711953 0.90184126332340 74.922 > 12 72 As 0.85827270177559 0.72190970711953 0.90184126332340 74.922 > 12 *73 As 0.34845819604210 0.19275791223038 0.19654480445895 74.922 > 13 74 As 0.84845819604210 0.19275791223038 0.19654480445895 74.922 > 13 75 As 0.34845819604210 0.52609124556371 0.19654480445895 74.922 > 13 76 As 0.84845819604210 0.52609124556371 0.19654480445895 74.922 > 13 77 As 0.34845819604210 0.85942457889704 0.19654480445895 74.922 > 13 78 As 0.84845819604210 0.85942457889704 0.19654480445895 74.922 > 13 79 As 0.15154180395790 0.02609124556371 0.30345519554105 74.922 > 14 80 As 0.65154180395790 0.02609124556371 0.30345519554105 74.922 > 14 81 As 0.15154180395790 0.35942457889704 0.30345519554105 74.922 > 14 82 As 0.65154180395790 0.35942457889704 0.30345519554105 74.922 > 14 83 As 0.15154180395790 0.69275791223038 0.30345519554105 74.922 > 14 84 As 0.65154180395790 0.69275791223038 0.30345519554105 74.922 > 14 85 As 0.15154180395790 0.14057542110296 0.80345519554105 74.922 > 15 86 As 0.65154180395790 0.14057542110296 0.80345519554105 74.922 > 15 87 As 0.15154180395790 0.47390875443629 0.80345519554105 74.922 > 15 88 As 0.65154180395790 0.47390875443629 0.80345519554105 74.922 > 15 89 As 0.15154180395790 0.80724208776962 0.80345519554105 74.922 > 15 90 As 0.65154180395790 0.80724208776962 0.80345519554105 74.922 > 15 91 As 0.34845819604210 0.30724208776962 0.69654480445895 74.922 > 16 92 As 0.84845819604210 0.30724208776962 0.69654480445895 74.922 > 16 93 As 0.34845819604210 0.64057542110296 0.69654480445895 74.922 > 16 94 As 0.84845819604210 0.64057542110296 0.69654480445895 74.922 > 16 95 As 0.34845819604210 0.97390875443629 0.69654480445895 74.922 > 16 96 As 0.84845819604210 0.97390875443629 0.69654480445895 74.922 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 17.4539991 0.0000000 1.9069759 0.0000000 19.0313648 0.0000000 1.9072083 0.0000000 18.5459804 -------------------------- Born effective charges -------------------------- 1 Li 1.0331606 -0.2570699 -0.0059194 -0.3239213 1.3865053 0.0406595 0.1322697 -0.0348495 1.4877082 2 Li 1.0331606 0.2570699 -0.0059194 0.3239213 1.3865053 -0.0406595 0.1322697 0.0348495 1.4877082 3 Li 1.0331606 -0.2570699 -0.0059194 -0.3239213 1.3865053 0.0406595 0.1322697 -0.0348495 1.4877082 4 Li 1.0331606 0.2570699 -0.0059194 0.3239213 1.3865053 -0.0406595 0.1322697 0.0348495 1.4877082 5 Li 1.4703402 -0.0294515 0.0108053 0.1146966 1.2355523 0.2403569 -0.1674574 -0.1090025 1.0218504 6 Li 1.4703402 0.0294515 0.0108053 -0.1146966 1.2355523 -0.2403569 -0.1674574 0.1090025 1.0218504 7 Li 1.4703402 -0.0294515 0.0108053 0.1146966 1.2355523 0.2403569 -0.1674574 -0.1090025 1.0218504 8 Li 1.4703402 0.0294515 0.0108053 -0.1146966 1.2355523 -0.2403569 -0.1674574 0.1090025 1.0218504 9 As -1.1264484 0.6854995 -0.1154247 0.3437817 -1.4776542 -0.0529703 -0.1129876 -0.2423384 -1.1327607 10 As -1.1264484 -0.6854995 -0.1154247 -0.3437817 -1.4776542 0.0529703 -0.1129876 0.2423384 -1.1327607 11 As -1.1264484 0.6854995 -0.1154247 0.3437817 -1.4776542 -0.0529703 -0.1129876 -0.2423384 -1.1327607 12 As -1.1264484 -0.6854995 -0.1154247 -0.3437817 -1.4776542 0.0529703 -0.1129876 0.2423384 -1.1327607 13 As -1.3770524 -0.4895755 0.1105388 -0.1254104 -1.1444033 -0.2173255 0.1481753 -0.0972639 -1.3767978 14 As -1.3770524 0.4895755 0.1105388 0.1254104 -1.1444033 0.2173255 0.1481753 0.0972639 -1.3767978 15 As -1.3770524 -0.4895755 0.1105388 -0.1254104 -1.1444033 -0.2173255 0.1481753 -0.0972639 -1.3767978 16 As -1.3770524 0.4895755 0.1105388 0.1254104 -1.1444033 0.2173255 0.1481753 0.0972639 -1.3767978 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 7248/7248 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1824 Number of blocks in projector: 1824 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1824, 1789), data: False |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 377), data: True |-- (384, 376), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.498 Solver_block: 200 / 480 - Time: 2.507 Solver_block: 300 / 480 - Time: 2.511 Solver_block: 400 / 480 - Time: 2.515 Solver_block: 480 / 480 - Time: 2.031 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.107 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 7248/7248 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1824 Number of blocks in projector: 1824 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1824, 1789), data: False |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 377), data: True |-- (384, 376), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:38:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.728409761140523 0.000000000000000 0.000000000000000 b 0.000000000000000 5.218174469999999 0.000000000000000 c -4.886227022162104 0.000000000000000 9.327962386161913 Atomic positions (fractional): 1 Li 0.77182911770483 0.83287090986750 0.44898052983237 6.941 2 Li 0.22817088229517 0.33287090986750 0.05101947016763 6.941 3 Li 0.22817088229517 0.16712909013250 0.55101947016763 6.941 4 Li 0.77182911770483 0.66712909013250 0.94898052983237 6.941 5 Li 0.76583249161906 0.08416305960394 0.17252807057089 6.941 6 Li 0.23416750838094 0.58416305960394 0.32747192942911 6.941 7 Li 0.23416750838094 0.91583694039606 0.82747192942911 6.941 8 Li 0.76583249161906 0.41583694039606 0.67252807057089 6.941 9 As 0.71654540355118 0.33427087864141 0.40184126332340 74.922 10 As 0.28345459644882 0.83427087864141 0.09815873667660 74.922 11 As 0.28345459644882 0.66572912135859 0.59815873667660 74.922 12 As 0.71654540355118 0.16572912135859 0.90184126332340 74.922 13 As 0.69691639208419 0.57827373669113 0.19654480445895 74.922 14 As 0.30308360791581 0.07827373669113 0.30345519554105 74.922 15 As 0.30308360791581 0.42172626330887 0.80345519554105 74.922 16 As 0.69691639208419 0.92172626330887 0.69654480445895 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.456819522281046 0.000000000000000 0.000000000000000 b 0.000000000000000 15.654523409999998 0.000000000000000 c -4.886227022162104 0.000000000000000 9.327962386161913 Atomic positions (fractional): 1 Li 0.38591455885241 0.27762363662250 0.44898052983237 6.941 > 1 2 Li 0.88591455885241 0.27762363662250 0.44898052983237 6.941 > 1 3 Li 0.38591455885241 0.61095696995583 0.44898052983237 6.941 > 1 4 Li 0.88591455885241 0.61095696995583 0.44898052983237 6.941 > 1 5 Li 0.38591455885241 0.94429030328916 0.44898052983237 6.941 > 1 6 Li 0.88591455885241 0.94429030328916 0.44898052983237 6.941 > 1 7 Li 0.11408544114759 0.11095696995583 0.05101947016763 6.941 > 7 8 Li 0.61408544114759 0.11095696995583 0.05101947016763 6.941 > 7 9 Li 0.11408544114759 0.44429030328916 0.05101947016763 6.941 > 7 10 Li 0.61408544114759 0.44429030328916 0.05101947016763 6.941 > 7 11 Li 0.11408544114759 0.77762363662250 0.05101947016763 6.941 > 7 12 Li 0.61408544114759 0.77762363662250 0.05101947016763 6.941 > 7 13 Li 0.11408544114759 0.05570969671083 0.55101947016763 6.941 > 13 14 Li 0.61408544114759 0.05570969671083 0.55101947016763 6.941 > 13 15 Li 0.11408544114759 0.38904303004417 0.55101947016763 6.941 > 13 16 Li 0.61408544114759 0.38904303004417 0.55101947016763 6.941 > 13 17 Li 0.11408544114759 0.72237636337750 0.55101947016763 6.941 > 13 18 Li 0.61408544114759 0.72237636337750 0.55101947016763 6.941 > 13 19 Li 0.38591455885241 0.22237636337750 0.94898052983237 6.941 > 19 20 Li 0.88591455885241 0.22237636337750 0.94898052983237 6.941 > 19 21 Li 0.38591455885241 0.55570969671084 0.94898052983237 6.941 > 19 22 Li 0.88591455885241 0.55570969671084 0.94898052983237 6.941 > 19 23 Li 0.38591455885241 0.88904303004417 0.94898052983237 6.941 > 19 24 Li 0.88591455885241 0.88904303004417 0.94898052983237 6.941 > 19 25 Li 0.38291624580953 0.02805435320131 0.17252807057089 6.941 > 25 26 Li 0.88291624580953 0.02805435320131 0.17252807057089 6.941 > 25 27 Li 0.38291624580953 0.36138768653465 0.17252807057089 6.941 > 25 28 Li 0.88291624580953 0.36138768653465 0.17252807057089 6.941 > 25 29 Li 0.38291624580953 0.69472101986798 0.17252807057089 6.941 > 25 30 Li 0.88291624580953 0.69472101986798 0.17252807057089 6.941 > 25 31 Li 0.11708375419047 0.19472101986798 0.32747192942911 6.941 > 31 32 Li 0.61708375419047 0.19472101986798 0.32747192942911 6.941 > 31 33 Li 0.11708375419047 0.52805435320131 0.32747192942911 6.941 > 31 34 Li 0.61708375419047 0.52805435320131 0.32747192942911 6.941 > 31 35 Li 0.11708375419047 0.86138768653465 0.32747192942911 6.941 > 31 36 Li 0.61708375419047 0.86138768653465 0.32747192942911 6.941 > 31 37 Li 0.11708375419047 0.30527898013202 0.82747192942911 6.941 > 37 38 Li 0.61708375419047 0.30527898013202 0.82747192942911 6.941 > 37 39 Li 0.11708375419047 0.63861231346535 0.82747192942911 6.941 > 37 40 Li 0.61708375419047 0.63861231346535 0.82747192942911 6.941 > 37 41 Li 0.11708375419047 0.97194564679869 0.82747192942911 6.941 > 37 42 Li 0.61708375419047 0.97194564679869 0.82747192942911 6.941 > 37 43 Li 0.38291624580953 0.13861231346535 0.67252807057089 6.941 > 43 44 Li 0.88291624580953 0.13861231346535 0.67252807057089 6.941 > 43 45 Li 0.38291624580953 0.47194564679869 0.67252807057089 6.941 > 43 46 Li 0.88291624580953 0.47194564679869 0.67252807057089 6.941 > 43 47 Li 0.38291624580953 0.80527898013202 0.67252807057089 6.941 > 43 48 Li 0.88291624580953 0.80527898013202 0.67252807057089 6.941 > 43 49 As 0.35827270177559 0.11142362621380 0.40184126332340 74.922 > 49 50 As 0.85827270177559 0.11142362621380 0.40184126332340 74.922 > 49 51 As 0.35827270177559 0.44475695954714 0.40184126332340 74.922 > 49 52 As 0.85827270177559 0.44475695954714 0.40184126332340 74.922 > 49 53 As 0.35827270177559 0.77809029288047 0.40184126332340 74.922 > 49 54 As 0.85827270177559 0.77809029288047 0.40184126332340 74.922 > 49 55 As 0.14172729822441 0.27809029288047 0.09815873667660 74.922 > 55 56 As 0.64172729822441 0.27809029288047 0.09815873667660 74.922 > 55 57 As 0.14172729822441 0.61142362621380 0.09815873667660 74.922 > 55 58 As 0.64172729822441 0.61142362621380 0.09815873667660 74.922 > 55 59 As 0.14172729822441 0.94475695954714 0.09815873667660 74.922 > 55 60 As 0.64172729822441 0.94475695954714 0.09815873667660 74.922 > 55 61 As 0.14172729822441 0.22190970711953 0.59815873667660 74.922 > 61 62 As 0.64172729822441 0.22190970711953 0.59815873667660 74.922 > 61 63 As 0.14172729822441 0.55524304045286 0.59815873667660 74.922 > 61 64 As 0.64172729822441 0.55524304045286 0.59815873667660 74.922 > 61 65 As 0.14172729822441 0.88857637378620 0.59815873667660 74.922 > 61 66 As 0.64172729822441 0.88857637378620 0.59815873667660 74.922 > 61 67 As 0.35827270177559 0.05524304045286 0.90184126332340 74.922 > 67 68 As 0.85827270177559 0.05524304045286 0.90184126332340 74.922 > 67 69 As 0.35827270177559 0.38857637378620 0.90184126332340 74.922 > 67 70 As 0.85827270177559 0.38857637378620 0.90184126332340 74.922 > 67 71 As 0.35827270177559 0.72190970711953 0.90184126332340 74.922 > 67 72 As 0.85827270177559 0.72190970711953 0.90184126332340 74.922 > 67 73 As 0.34845819604210 0.19275791223038 0.19654480445895 74.922 > 73 74 As 0.84845819604210 0.19275791223038 0.19654480445895 74.922 > 73 75 As 0.34845819604210 0.52609124556371 0.19654480445895 74.922 > 73 76 As 0.84845819604210 0.52609124556371 0.19654480445895 74.922 > 73 77 As 0.34845819604210 0.85942457889704 0.19654480445895 74.922 > 73 78 As 0.84845819604210 0.85942457889704 0.19654480445895 74.922 > 73 79 As 0.15154180395790 0.02609124556371 0.30345519554105 74.922 > 79 80 As 0.65154180395790 0.02609124556371 0.30345519554105 74.922 > 79 81 As 0.15154180395790 0.35942457889704 0.30345519554105 74.922 > 79 82 As 0.65154180395790 0.35942457889704 0.30345519554105 74.922 > 79 83 As 0.15154180395790 0.69275791223038 0.30345519554105 74.922 > 79 84 As 0.65154180395790 0.69275791223038 0.30345519554105 74.922 > 79 85 As 0.15154180395790 0.14057542110296 0.80345519554105 74.922 > 85 86 As 0.65154180395790 0.14057542110296 0.80345519554105 74.922 > 85 87 As 0.15154180395790 0.47390875443629 0.80345519554105 74.922 > 85 88 As 0.65154180395790 0.47390875443629 0.80345519554105 74.922 > 85 89 As 0.15154180395790 0.80724208776962 0.80345519554105 74.922 > 85 90 As 0.65154180395790 0.80724208776962 0.80345519554105 74.922 > 85 91 As 0.34845819604210 0.30724208776962 0.69654480445895 74.922 > 91 92 As 0.84845819604210 0.30724208776962 0.69654480445895 74.922 > 91 93 As 0.34845819604210 0.64057542110296 0.69654480445895 74.922 > 91 94 As 0.84845819604210 0.64057542110296 0.69654480445895 74.922 > 91 95 As 0.34845819604210 0.97390875443629 0.69654480445895 74.922 > 91 96 As 0.84845819604210 0.97390875443629 0.69654480445895 74.922 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 17.4539991 0.0000000 1.9069759 0.0000000 19.0313648 0.0000000 1.9072083 0.0000000 18.5459804 -------------------------- Born effective charges -------------------------- 1 Li 1.0331606 -0.2570699 -0.0059194 -0.3239213 1.3865053 0.0406595 0.1322697 -0.0348495 1.4877082 2 Li 1.0331606 0.2570699 -0.0059194 0.3239213 1.3865053 -0.0406595 0.1322697 0.0348495 1.4877082 3 Li 1.0331606 -0.2570699 -0.0059194 -0.3239213 1.3865053 0.0406595 0.1322697 -0.0348495 1.4877082 4 Li 1.0331606 0.2570699 -0.0059194 0.3239213 1.3865053 -0.0406595 0.1322697 0.0348495 1.4877082 5 Li 1.4703402 -0.0294515 0.0108053 0.1146966 1.2355523 0.2403569 -0.1674574 -0.1090025 1.0218504 6 Li 1.4703402 0.0294515 0.0108053 -0.1146966 1.2355523 -0.2403569 -0.1674574 0.1090025 1.0218504 7 Li 1.4703402 -0.0294515 0.0108053 0.1146966 1.2355523 0.2403569 -0.1674574 -0.1090025 1.0218504 8 Li 1.4703402 0.0294515 0.0108053 -0.1146966 1.2355523 -0.2403569 -0.1674574 0.1090025 1.0218504 9 As -1.1264484 0.6854995 -0.1154247 0.3437817 -1.4776542 -0.0529703 -0.1129876 -0.2423384 -1.1327607 10 As -1.1264484 -0.6854995 -0.1154247 -0.3437817 -1.4776542 0.0529703 -0.1129876 0.2423384 -1.1327607 11 As -1.1264484 0.6854995 -0.1154247 0.3437817 -1.4776542 -0.0529703 -0.1129876 -0.2423384 -1.1327607 12 As -1.1264484 -0.6854995 -0.1154247 -0.3437817 -1.4776542 0.0529703 -0.1129876 0.2423384 -1.1327607 13 As -1.3770524 -0.4895755 0.1105388 -0.1254104 -1.1444033 -0.2173255 0.1481753 -0.0972639 -1.3767978 14 As -1.3770524 0.4895755 0.1105388 0.1254104 -1.1444033 0.2173255 0.1481753 0.0972639 -1.3767978 15 As -1.3770524 -0.4895755 0.1105388 -0.1254104 -1.1444033 -0.2173255 0.1481753 -0.0972639 -1.3767978 16 As -1.3770524 0.4895755 0.1105388 0.1254104 -1.1444033 0.2173255 0.1481753 0.0972639 -1.3767978 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:38:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.728409761140523 0.000000000000000 0.000000000000000 b 0.000000000000000 5.218174469999999 0.000000000000000 c -4.886227022162104 0.000000000000000 9.327962386161913 Atomic positions (fractional): 1 Li 0.77182911770483 0.83287090986750 0.44898052983237 6.941 2 Li 0.22817088229517 0.33287090986750 0.05101947016763 6.941 3 Li 0.22817088229517 0.16712909013250 0.55101947016763 6.941 4 Li 0.77182911770483 0.66712909013250 0.94898052983237 6.941 5 Li 0.76583249161906 0.08416305960394 0.17252807057089 6.941 6 Li 0.23416750838094 0.58416305960394 0.32747192942911 6.941 7 Li 0.23416750838094 0.91583694039606 0.82747192942911 6.941 8 Li 0.76583249161906 0.41583694039606 0.67252807057089 6.941 9 As 0.71654540355118 0.33427087864141 0.40184126332340 74.922 10 As 0.28345459644882 0.83427087864141 0.09815873667660 74.922 11 As 0.28345459644882 0.66572912135859 0.59815873667660 74.922 12 As 0.71654540355118 0.16572912135859 0.90184126332340 74.922 13 As 0.69691639208419 0.57827373669113 0.19654480445895 74.922 14 As 0.30308360791581 0.07827373669113 0.30345519554105 74.922 15 As 0.30308360791581 0.42172626330887 0.80345519554105 74.922 16 As 0.69691639208419 0.92172626330887 0.69654480445895 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.456819522281046 0.000000000000000 0.000000000000000 b 0.000000000000000 15.654523409999998 0.000000000000000 c -4.886227022162104 0.000000000000000 9.327962386161913 Atomic positions (fractional): 1 Li 0.38591455885241 0.27762363662250 0.44898052983237 6.941 > 1 2 Li 0.88591455885241 0.27762363662250 0.44898052983237 6.941 > 1 3 Li 0.38591455885241 0.61095696995583 0.44898052983237 6.941 > 1 4 Li 0.88591455885241 0.61095696995583 0.44898052983237 6.941 > 1 5 Li 0.38591455885241 0.94429030328916 0.44898052983237 6.941 > 1 6 Li 0.88591455885241 0.94429030328916 0.44898052983237 6.941 > 1 7 Li 0.11408544114759 0.11095696995583 0.05101947016763 6.941 > 7 8 Li 0.61408544114759 0.11095696995583 0.05101947016763 6.941 > 7 9 Li 0.11408544114759 0.44429030328916 0.05101947016763 6.941 > 7 10 Li 0.61408544114759 0.44429030328916 0.05101947016763 6.941 > 7 11 Li 0.11408544114759 0.77762363662250 0.05101947016763 6.941 > 7 12 Li 0.61408544114759 0.77762363662250 0.05101947016763 6.941 > 7 13 Li 0.11408544114759 0.05570969671083 0.55101947016763 6.941 > 13 14 Li 0.61408544114759 0.05570969671083 0.55101947016763 6.941 > 13 15 Li 0.11408544114759 0.38904303004417 0.55101947016763 6.941 > 13 16 Li 0.61408544114759 0.38904303004417 0.55101947016763 6.941 > 13 17 Li 0.11408544114759 0.72237636337750 0.55101947016763 6.941 > 13 18 Li 0.61408544114759 0.72237636337750 0.55101947016763 6.941 > 13 19 Li 0.38591455885241 0.22237636337750 0.94898052983237 6.941 > 19 20 Li 0.88591455885241 0.22237636337750 0.94898052983237 6.941 > 19 21 Li 0.38591455885241 0.55570969671084 0.94898052983237 6.941 > 19 22 Li 0.88591455885241 0.55570969671084 0.94898052983237 6.941 > 19 23 Li 0.38591455885241 0.88904303004417 0.94898052983237 6.941 > 19 24 Li 0.88591455885241 0.88904303004417 0.94898052983237 6.941 > 19 25 Li 0.38291624580953 0.02805435320131 0.17252807057089 6.941 > 25 26 Li 0.88291624580953 0.02805435320131 0.17252807057089 6.941 > 25 27 Li 0.38291624580953 0.36138768653465 0.17252807057089 6.941 > 25 28 Li 0.88291624580953 0.36138768653465 0.17252807057089 6.941 > 25 29 Li 0.38291624580953 0.69472101986798 0.17252807057089 6.941 > 25 30 Li 0.88291624580953 0.69472101986798 0.17252807057089 6.941 > 25 31 Li 0.11708375419047 0.19472101986798 0.32747192942911 6.941 > 31 32 Li 0.61708375419047 0.19472101986798 0.32747192942911 6.941 > 31 33 Li 0.11708375419047 0.52805435320131 0.32747192942911 6.941 > 31 34 Li 0.61708375419047 0.52805435320131 0.32747192942911 6.941 > 31 35 Li 0.11708375419047 0.86138768653465 0.32747192942911 6.941 > 31 36 Li 0.61708375419047 0.86138768653465 0.32747192942911 6.941 > 31 37 Li 0.11708375419047 0.30527898013202 0.82747192942911 6.941 > 37 38 Li 0.61708375419047 0.30527898013202 0.82747192942911 6.941 > 37 39 Li 0.11708375419047 0.63861231346535 0.82747192942911 6.941 > 37 40 Li 0.61708375419047 0.63861231346535 0.82747192942911 6.941 > 37 41 Li 0.11708375419047 0.97194564679869 0.82747192942911 6.941 > 37 42 Li 0.61708375419047 0.97194564679869 0.82747192942911 6.941 > 37 43 Li 0.38291624580953 0.13861231346535 0.67252807057089 6.941 > 43 44 Li 0.88291624580953 0.13861231346535 0.67252807057089 6.941 > 43 45 Li 0.38291624580953 0.47194564679869 0.67252807057089 6.941 > 43 46 Li 0.88291624580953 0.47194564679869 0.67252807057089 6.941 > 43 47 Li 0.38291624580953 0.80527898013202 0.67252807057089 6.941 > 43 48 Li 0.88291624580953 0.80527898013202 0.67252807057089 6.941 > 43 49 As 0.35827270177559 0.11142362621380 0.40184126332340 74.922 > 49 50 As 0.85827270177559 0.11142362621380 0.40184126332340 74.922 > 49 51 As 0.35827270177559 0.44475695954714 0.40184126332340 74.922 > 49 52 As 0.85827270177559 0.44475695954714 0.40184126332340 74.922 > 49 53 As 0.35827270177559 0.77809029288047 0.40184126332340 74.922 > 49 54 As 0.85827270177559 0.77809029288047 0.40184126332340 74.922 > 49 55 As 0.14172729822441 0.27809029288047 0.09815873667660 74.922 > 55 56 As 0.64172729822441 0.27809029288047 0.09815873667660 74.922 > 55 57 As 0.14172729822441 0.61142362621380 0.09815873667660 74.922 > 55 58 As 0.64172729822441 0.61142362621380 0.09815873667660 74.922 > 55 59 As 0.14172729822441 0.94475695954714 0.09815873667660 74.922 > 55 60 As 0.64172729822441 0.94475695954714 0.09815873667660 74.922 > 55 61 As 0.14172729822441 0.22190970711953 0.59815873667660 74.922 > 61 62 As 0.64172729822441 0.22190970711953 0.59815873667660 74.922 > 61 63 As 0.14172729822441 0.55524304045286 0.59815873667660 74.922 > 61 64 As 0.64172729822441 0.55524304045286 0.59815873667660 74.922 > 61 65 As 0.14172729822441 0.88857637378620 0.59815873667660 74.922 > 61 66 As 0.64172729822441 0.88857637378620 0.59815873667660 74.922 > 61 67 As 0.35827270177559 0.05524304045286 0.90184126332340 74.922 > 67 68 As 0.85827270177559 0.05524304045286 0.90184126332340 74.922 > 67 69 As 0.35827270177559 0.38857637378620 0.90184126332340 74.922 > 67 70 As 0.85827270177559 0.38857637378620 0.90184126332340 74.922 > 67 71 As 0.35827270177559 0.72190970711953 0.90184126332340 74.922 > 67 72 As 0.85827270177559 0.72190970711953 0.90184126332340 74.922 > 67 73 As 0.34845819604210 0.19275791223038 0.19654480445895 74.922 > 73 74 As 0.84845819604210 0.19275791223038 0.19654480445895 74.922 > 73 75 As 0.34845819604210 0.52609124556371 0.19654480445895 74.922 > 73 76 As 0.84845819604210 0.52609124556371 0.19654480445895 74.922 > 73 77 As 0.34845819604210 0.85942457889704 0.19654480445895 74.922 > 73 78 As 0.84845819604210 0.85942457889704 0.19654480445895 74.922 > 73 79 As 0.15154180395790 0.02609124556371 0.30345519554105 74.922 > 79 80 As 0.65154180395790 0.02609124556371 0.30345519554105 74.922 > 79 81 As 0.15154180395790 0.35942457889704 0.30345519554105 74.922 > 79 82 As 0.65154180395790 0.35942457889704 0.30345519554105 74.922 > 79 83 As 0.15154180395790 0.69275791223038 0.30345519554105 74.922 > 79 84 As 0.65154180395790 0.69275791223038 0.30345519554105 74.922 > 79 85 As 0.15154180395790 0.14057542110296 0.80345519554105 74.922 > 85 86 As 0.65154180395790 0.14057542110296 0.80345519554105 74.922 > 85 87 As 0.15154180395790 0.47390875443629 0.80345519554105 74.922 > 85 88 As 0.65154180395790 0.47390875443629 0.80345519554105 74.922 > 85 89 As 0.15154180395790 0.80724208776962 0.80345519554105 74.922 > 85 90 As 0.65154180395790 0.80724208776962 0.80345519554105 74.922 > 85 91 As 0.34845819604210 0.30724208776962 0.69654480445895 74.922 > 91 92 As 0.84845819604210 0.30724208776962 0.69654480445895 74.922 > 91 93 As 0.34845819604210 0.64057542110296 0.69654480445895 74.922 > 91 94 As 0.84845819604210 0.64057542110296 0.69654480445895 74.922 > 91 95 As 0.34845819604210 0.97390875443629 0.69654480445895 74.922 > 91 96 As 0.84845819604210 0.97390875443629 0.69654480445895 74.922 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 17.4539991 0.0000000 1.9069759 0.0000000 19.0313648 0.0000000 1.9072083 0.0000000 18.5459804 -------------------------- Born effective charges -------------------------- 1 Li 1.0331606 -0.2570699 -0.0059194 -0.3239213 1.3865053 0.0406595 0.1322697 -0.0348495 1.4877082 2 Li 1.0331606 0.2570699 -0.0059194 0.3239213 1.3865053 -0.0406595 0.1322697 0.0348495 1.4877082 3 Li 1.0331606 -0.2570699 -0.0059194 -0.3239213 1.3865053 0.0406595 0.1322697 -0.0348495 1.4877082 4 Li 1.0331606 0.2570699 -0.0059194 0.3239213 1.3865053 -0.0406595 0.1322697 0.0348495 1.4877082 5 Li 1.4703402 -0.0294515 0.0108053 0.1146966 1.2355523 0.2403569 -0.1674574 -0.1090025 1.0218504 6 Li 1.4703402 0.0294515 0.0108053 -0.1146966 1.2355523 -0.2403569 -0.1674574 0.1090025 1.0218504 7 Li 1.4703402 -0.0294515 0.0108053 0.1146966 1.2355523 0.2403569 -0.1674574 -0.1090025 1.0218504 8 Li 1.4703402 0.0294515 0.0108053 -0.1146966 1.2355523 -0.2403569 -0.1674574 0.1090025 1.0218504 9 As -1.1264484 0.6854995 -0.1154247 0.3437817 -1.4776542 -0.0529703 -0.1129876 -0.2423384 -1.1327607 10 As -1.1264484 -0.6854995 -0.1154247 -0.3437817 -1.4776542 0.0529703 -0.1129876 0.2423384 -1.1327607 11 As -1.1264484 0.6854995 -0.1154247 0.3437817 -1.4776542 -0.0529703 -0.1129876 -0.2423384 -1.1327607 12 As -1.1264484 -0.6854995 -0.1154247 -0.3437817 -1.4776542 0.0529703 -0.1129876 0.2423384 -1.1327607 13 As -1.3770524 -0.4895755 0.1105388 -0.1254104 -1.1444033 -0.2173255 0.1481753 -0.0972639 -1.3767978 14 As -1.3770524 0.4895755 0.1105388 0.1254104 -1.1444033 0.2173255 0.1481753 0.0972639 -1.3767978 15 As -1.3770524 -0.4895755 0.1105388 -0.1254104 -1.1444033 -0.2173255 0.1481753 -0.0972639 -1.3767978 16 As -1.3770524 0.4895755 0.1105388 0.1254104 -1.1444033 0.2173255 0.1481753 0.0972639 -1.3767978 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 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: 0.64, Number of G-points: 299, Lambda: 0.28 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/156) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 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 1.236 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.493 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.775 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.515 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 9.087 ( 0.000 0.000 0.000) 0.000 9.112 ( 0.000 0.000 0.000) 0.000 9.901 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 10.262 ( 0.000 0.000 0.000) 0.000 10.872 ( 0.000 0.000 0.000) 0.000 10.940 ( 0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/156) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 14.643 0.000 9.872) 17.660 0.434 ( 16.217 0.000 14.982) 22.078 0.821 ( 33.993 0.000 19.448) 39.163 1.235 ( 1.281 0.000 -1.386) 1.888 1.692 ( -7.558 0.000 -9.370) 12.039 1.968 ( 0.915 0.000 4.593) 4.683 2.213 ( -3.298 0.000 -1.343) 3.561 2.456 ( -2.602 0.000 -3.708) 4.530 2.734 ( 0.873 0.000 0.756) 1.155 2.923 ( -1.711 0.000 0.627) 1.822 3.039 ( 1.035 0.000 -0.707) 1.254 3.061 ( 1.628 0.000 -0.208) 1.641 3.302 ( 0.598 0.000 -8.118) 8.140 3.539 ( -0.818 0.000 8.855) 8.893 3.601 ( -0.365 0.000 -2.611) 2.637 3.762 ( 1.126 0.000 1.685) 2.027 5.025 ( 3.290 0.000 4.671) 5.713 5.209 ( -0.295 0.000 -1.998) 2.019 5.300 ( 2.581 0.000 -6.781) 7.256 5.419 ( -0.574 0.000 -1.158) 1.293 5.524 ( -7.363 0.000 1.432) 7.501 5.750 ( -0.273 0.000 -0.949) 0.988 5.819 ( -3.052 0.000 -0.167) 3.057 5.963 ( 5.310 0.000 -1.445) 5.503 6.033 ( 8.750 0.000 4.623) 9.896 6.159 ( -2.002 0.000 5.249) 5.618 6.232 ( -10.388 0.000 -6.150) 12.072 6.549 ( 0.549 0.000 -6.370) 6.394 6.784 ( -1.094 0.000 3.343) 3.517 6.914 ( 1.133 0.000 -0.250) 1.160 7.071 ( 1.491 0.000 7.995) 8.133 7.296 ( -8.687 0.000 -2.456) 9.028 7.432 ( -1.347 0.000 1.148) 1.769 7.445 ( -0.452 0.000 -0.667) 0.806 7.502 ( -0.359 0.000 -1.751) 1.788 7.753 ( 7.963 0.000 15.919) 17.799 7.979 ( 6.398 0.000 -18.129) 19.225 8.293 ( 4.255 0.000 0.623) 4.301 9.076 ( -1.002 0.000 -0.483) 1.112 9.107 ( -0.532 0.000 0.002) 0.532 9.907 ( 0.376 0.000 0.303) 0.483 9.940 ( -1.880 0.000 -0.855) 2.066 10.021 ( -1.381 0.000 0.628) 1.517 10.242 ( -2.172 0.000 -0.179) 2.179 10.879 ( 0.672 0.000 0.168) 0.693 10.943 ( 0.349 0.000 0.100) 0.363 11.101 ( 0.059 0.000 -0.284) 0.290 11.111 ( 1.498 0.000 -4.129) 4.392 ======================= Grid point 2 (3/156) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 12.426 0.000 8.234) 14.906 0.825 ( 13.596 0.000 12.867) 18.720 1.178 ( 1.152 0.000 -3.633) 3.811 1.492 ( -4.686 0.000 -7.034) 8.452 1.583 ( 27.171 0.000 15.935) 31.500 2.019 ( 1.724 0.000 1.608) 2.357 2.095 ( -7.926 0.000 -3.317) 8.592 2.353 ( -4.139 0.000 -4.678) 6.246 2.767 ( 1.595 0.000 1.672) 2.311 2.898 ( -1.275 0.000 0.465) 1.357 3.045 ( 0.536 0.000 -1.269) 1.377 3.084 ( 1.376 0.000 -1.016) 1.711 3.248 ( 1.950 0.000 -8.149) 8.380 3.566 ( -0.580 0.000 -3.188) 3.240 3.601 ( -1.375 0.000 8.490) 8.601 3.793 ( 0.718 0.000 0.839) 1.104 5.123 ( 1.069 0.000 5.363) 5.468 5.158 ( -3.522 0.000 -2.721) 4.450 5.275 ( 0.360 0.000 -4.151) 4.167 5.419 ( -4.713 0.000 1.942) 5.098 5.422 ( 0.875 0.000 2.876) 3.006 5.733 ( 0.503 0.000 -3.565) 3.600 5.741 ( -4.548 0.000 0.577) 4.584 6.042 ( 6.059 0.000 -3.585) 7.041 6.086 ( -2.396 0.000 -1.241) 2.699 6.184 ( -2.544 0.000 8.691) 9.056 6.233 ( 6.425 0.000 5.477) 8.442 6.499 ( 2.386 0.000 -9.114) 9.421 6.780 ( -2.539 0.000 1.645) 3.025 6.908 ( -1.829 0.000 -1.685) 2.487 7.114 ( -3.460 0.000 4.508) 5.683 7.134 ( -6.590 0.000 -1.648) 6.793 7.358 ( -2.694 0.000 -2.563) 3.718 7.485 ( 1.355 0.000 1.197) 1.808 7.493 ( 3.584 0.000 -0.230) 3.591 7.894 ( -0.621 0.000 -8.902) 8.924 8.080 ( 13.664 0.000 8.140) 15.905 8.382 ( 4.452 0.000 0.378) 4.468 9.046 ( -1.677 0.000 -0.623) 1.789 9.094 ( -1.033 0.000 0.132) 1.041 9.894 ( -2.168 0.000 -0.695) 2.276 9.914 ( -0.006 0.000 0.171) 0.171 9.997 ( -2.187 0.000 1.050) 2.426 10.185 ( -3.924 0.000 -0.384) 3.942 10.899 ( 1.361 0.000 0.482) 1.444 10.952 ( 0.424 0.000 0.070) 0.430 11.094 ( 0.181 0.000 -2.478) 2.484 11.100 ( 0.182 0.000 -0.506) 0.538 ======================= Grid point 3 (4/156) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 8.489 0.000 5.482) 10.105 1.128 ( 9.307 0.000 9.186) 13.077 1.145 ( 0.361 0.000 -4.205) 4.221 1.447 ( 4.363 0.000 -2.066) 4.827 1.820 ( -11.505 0.000 -7.947) 13.983 2.028 ( -1.669 0.000 -2.856) 3.308 2.152 ( 16.099 0.000 12.528) 20.400 2.276 ( 0.121 0.000 -0.451) 0.467 2.816 ( 1.688 0.000 2.675) 3.163 2.898 ( 0.887 0.000 0.539) 1.039 3.037 ( -0.133 0.000 -1.052) 1.060 3.084 ( 0.089 0.000 -2.201) 2.203 3.220 ( 2.211 0.000 -6.032) 6.425 3.525 ( -0.759 0.000 -2.959) 3.054 3.643 ( -1.518 0.000 6.204) 6.387 3.799 ( -0.235 0.000 -0.405) 0.469 5.057 ( -5.440 0.000 0.450) 5.458 5.136 ( -2.926 0.000 2.273) 3.705 5.237 ( -0.088 0.000 -4.724) 4.725 5.427 ( 2.819 0.000 2.487) 3.759 5.501 ( 0.936 0.000 8.695) 8.745 5.711 ( 1.830 0.000 -4.634) 4.982 5.711 ( -0.694 0.000 3.141) 3.217 6.082 ( 1.508 0.000 0.461) 1.577 6.109 ( 5.062 0.000 -3.004) 5.887 6.205 ( -4.484 0.000 5.369) 6.995 6.289 ( -3.411 0.000 2.722) 4.364 6.478 ( 3.757 0.000 -7.822) 8.678 6.728 ( -2.045 0.000 -3.228) 3.821 6.841 ( -2.441 0.000 -0.431) 2.479 7.038 ( -6.597 0.000 -0.328) 6.605 7.055 ( -2.215 0.000 0.558) 2.284 7.300 ( -2.008 0.000 -1.419) 2.459 7.514 ( 0.462 0.000 1.628) 1.693 7.675 ( 13.589 0.000 5.021) 14.487 7.770 ( -4.529 0.000 -8.265) 9.424 8.356 ( 10.466 0.000 4.823) 11.524 8.430 ( 1.101 0.000 -1.278) 1.687 9.012 ( -1.573 0.000 -0.227) 1.589 9.072 ( -1.786 0.000 0.136) 1.791 9.864 ( -0.860 0.000 0.153) 0.873 9.911 ( -0.279 0.000 -0.047) 0.283 9.968 ( -2.049 0.000 1.147) 2.348 10.103 ( -4.771 0.000 -0.559) 4.804 10.932 ( 1.600 0.000 0.809) 1.793 10.957 ( 0.155 0.000 -0.167) 0.228 11.075 ( -0.158 0.000 -1.606) 1.614 11.099 ( 0.363 0.000 -0.567) 0.673 ======================= Grid point 4 (5/156) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 1.133 0.000 -0.884) 1.437 1.163 ( 3.690 0.000 1.963) 4.179 1.318 ( 4.845 0.000 5.213) 7.117 1.511 ( -12.429 0.000 -8.487) 15.051 1.566 ( 9.007 0.000 0.069) 9.008 1.909 ( -7.178 0.000 -3.731) 8.089 2.347 ( 4.840 0.000 2.218) 5.324 2.446 ( 7.080 0.000 6.333) 9.499 2.875 ( 1.668 0.000 4.014) 4.346 2.937 ( 3.012 0.000 0.070) 3.013 3.022 ( -1.162 0.000 0.029) 1.162 3.041 ( -1.882 0.000 -4.009) 4.429 3.214 ( 1.900 0.000 -3.203) 3.724 3.491 ( -0.490 0.000 -1.836) 1.900 3.661 ( -1.264 0.000 3.058) 3.309 3.783 ( -0.630 0.000 -0.766) 0.991 5.001 ( -2.758 0.000 2.780) 3.916 5.094 ( -2.839 0.000 0.866) 2.968 5.189 ( -0.528 0.000 -3.998) 4.032 5.516 ( 3.746 0.000 1.531) 4.047 5.581 ( -0.637 0.000 7.651) 7.677 5.725 ( 4.130 0.000 -3.863) 5.655 5.760 ( 2.023 0.000 3.301) 3.871 6.068 ( -10.182 0.000 -1.101) 10.241 6.128 ( 2.409 0.000 1.405) 2.789 6.165 ( 3.677 0.000 -1.792) 4.090 6.278 ( -1.429 0.000 3.469) 3.752 6.466 ( 1.195 0.000 -4.676) 4.826 6.660 ( -0.406 0.000 -4.998) 5.015 6.854 ( 1.206 0.000 2.808) 3.056 6.921 ( -4.778 0.000 -1.207) 4.928 7.044 ( -0.254 0.000 0.723) 0.766 7.257 ( -1.649 0.000 -1.015) 1.936 7.521 ( -2.248 0.000 1.119) 2.511 7.608 ( -4.048 0.000 -6.344) 7.525 7.988 ( 14.280 0.000 6.699) 15.773 8.391 ( -3.032 0.000 -3.480) 4.615 8.530 ( 5.849 0.000 2.092) 6.212 8.988 ( -1.138 0.000 0.002) 1.138 9.035 ( -2.244 0.000 -0.101) 2.246 9.863 ( 0.068 0.000 0.456) 0.461 9.910 ( 0.402 0.000 -0.034) 0.403 9.950 ( -1.093 0.000 0.842) 1.379 10.017 ( -4.101 0.000 -0.520) 4.133 10.954 ( -0.095 0.000 -0.310) 0.324 10.964 ( 1.052 0.000 0.716) 1.273 11.062 ( -0.078 0.000 -0.705) 0.709 11.101 ( 0.359 0.000 -0.394) 0.534 ======================= Grid point 5 (6/156) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.000 0.000 -0.000) 0.000 1.247 ( 0.000 0.000 -0.000) 0.000 1.315 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 -0.000) 0.000 1.734 ( -0.000 0.000 -0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 -0.000) 0.000 2.532 ( -0.000 0.000 0.000) 0.000 2.946 ( -0.000 0.000 -0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 -0.000) 0.000 2.997 ( -0.000 0.000 -0.000) 0.000 3.219 ( 0.000 0.000 -0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 -0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 4.995 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.162 ( 0.000 0.000 -0.000) 0.000 5.557 ( 0.000 0.000 -0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.758 ( -0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 -0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.166 ( 0.000 0.000 -0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 -0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 -0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 -0.000) 0.000 7.232 ( 0.000 0.000 0.000) 0.000 7.470 ( 0.000 0.000 -0.000) 0.000 7.566 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 -0.000) 0.000 8.976 ( 0.000 0.000 0.000) 0.000 9.010 ( 0.000 0.000 0.000) 0.000 9.866 ( 0.000 0.000 0.000) 0.000 9.920 ( -0.000 0.000 0.000) 0.000 9.945 ( 0.000 0.000 -0.000) 0.000 9.970 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 0.000 -0.000) 0.000 10.977 ( 0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 11 (7/156) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 0.000 19.232 0.000) 19.232 0.461 ( 0.000 23.938 0.000) 23.938 0.868 ( 0.000 44.249 0.000) 44.249 1.422 ( 0.000 17.198 0.000) 17.198 1.876 ( 0.000 3.333 0.000) 3.333 1.908 ( 0.000 0.510 0.000) 0.510 2.225 ( 0.000 -1.784 0.000) 1.784 2.427 ( 0.000 -6.478 0.000) 6.478 2.817 ( 0.000 9.909 0.000) 9.909 3.004 ( 0.000 -2.853 0.000) 2.853 3.049 ( 0.000 10.771 0.000) 10.771 3.131 ( 0.000 8.049 0.000) 8.049 3.411 ( 0.000 -8.196 0.000) 8.196 3.468 ( 0.000 11.575 0.000) 11.575 3.633 ( 0.000 1.985 0.000) 1.985 3.812 ( 0.000 7.254 0.000) 7.254 4.960 ( 0.000 -1.342 0.000) 1.342 5.189 ( 0.000 -3.036 0.000) 3.036 5.266 ( 0.000 -3.337 0.000) 3.337 5.411 ( 0.000 -2.214 0.000) 2.214 5.567 ( 0.000 -2.009 0.000) 2.009 5.761 ( 0.000 0.588 0.000) 0.588 5.865 ( 0.000 0.111 0.000) 0.111 5.881 ( 0.000 2.623 0.000) 2.623 5.955 ( 0.000 2.650 0.000) 2.650 6.208 ( 0.000 5.417 0.000) 5.417 6.289 ( 0.000 -8.388 0.000) 8.388 6.594 ( 0.000 -1.570 0.000) 1.570 6.702 ( 0.000 6.460 0.000) 6.460 6.767 ( 0.000 -1.632 0.000) 1.632 6.965 ( 0.000 5.902 0.000) 5.902 7.063 ( 0.000 7.610 0.000) 7.610 7.394 ( 0.000 -2.190 0.000) 2.190 7.438 ( 0.000 -4.910 0.000) 4.910 7.519 ( 0.000 -0.515 0.000) 0.515 7.535 ( 0.000 1.715 0.000) 1.715 7.953 ( 0.000 6.373 0.000) 6.373 8.230 ( 0.000 -4.556 0.000) 4.556 9.109 ( 0.000 1.839 0.000) 1.839 9.131 ( 0.000 1.851 0.000) 1.851 9.975 ( 0.000 -4.277 0.000) 4.277 9.989 ( 0.000 2.035 0.000) 2.035 10.214 ( 0.000 -4.829 0.000) 4.829 10.222 ( 0.000 0.815 0.000) 0.815 10.952 ( 0.000 -4.588 0.000) 4.588 10.965 ( 0.000 2.349 0.000) 2.349 11.054 ( 0.000 -4.818 0.000) 4.818 11.383 ( 0.000 -2.370 0.000) 2.370 ======================= Grid point 12 (8/156) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 9.839 14.123 3.958) 17.661 0.700 ( 16.221 17.174 7.848) 24.893 1.137 ( 19.465 30.079 15.148) 38.899 1.409 ( -0.095 16.326 -2.178) 16.471 1.737 ( -6.316 4.944 -8.587) 11.750 1.965 ( 0.336 0.093 4.537) 4.551 2.193 ( -2.834 -1.762 -1.824) 3.803 2.394 ( -2.018 -5.546 -3.044) 6.641 2.830 ( 0.855 9.695 1.008) 9.784 3.000 ( -2.376 0.051 3.586) 4.302 3.049 ( 1.964 7.716 -3.377) 8.648 3.143 ( 1.080 7.641 -0.319) 7.724 3.375 ( 0.402 2.456 -7.457) 7.862 3.490 ( -0.380 0.051 4.827) 4.843 3.645 ( 0.324 3.560 1.289) 3.800 3.820 ( 0.386 6.576 0.544) 6.610 5.012 ( 2.998 -1.341 4.659) 5.700 5.176 ( -0.809 -3.042 -1.304) 3.408 5.265 ( 2.142 -3.503 -5.254) 6.668 5.389 ( -1.128 -2.584 -1.702) 3.293 5.526 ( -4.748 0.089 2.511) 5.372 5.735 ( -0.365 -0.604 -1.531) 1.686 5.809 ( -4.891 -0.918 -0.613) 5.014 5.982 ( 6.149 1.234 1.645) 6.484 6.060 ( 6.403 1.979 4.903) 8.304 6.179 ( -5.583 -3.187 -5.439) 8.421 6.209 ( -1.488 4.877 2.625) 5.735 6.602 ( -2.482 3.683 -3.552) 5.687 6.792 ( 0.245 0.869 0.970) 1.326 6.902 ( 7.771 -14.332 10.518) 19.402 6.951 ( -0.551 3.011 -0.177) 3.066 7.252 ( 5.221 -0.883 2.166) 5.721 7.329 ( 0.334 -2.220 1.278) 2.584 7.434 ( -0.294 -1.454 -2.416) 2.835 7.488 ( -1.446 -0.373 -0.089) 1.496 7.658 ( 10.600 -3.004 4.537) 11.915 7.956 ( 1.280 5.000 -2.494) 5.733 8.261 ( 3.396 -4.597 -0.149) 5.717 9.096 ( -1.228 1.868 -0.292) 2.255 9.133 ( -0.123 1.844 0.093) 1.851 9.948 ( -1.657 -1.225 -1.694) 2.667 9.985 ( -1.559 -0.525 1.719) 2.380 10.116 ( -5.705 7.222 -3.695) 9.917 10.203 ( -1.307 -3.921 -0.299) 4.144 10.938 ( -1.149 -0.914 0.123) 1.473 10.974 ( 0.591 2.609 -0.193) 2.682 11.046 ( -0.304 -4.536 -0.284) 4.555 11.192 ( -5.855 5.536 -7.235) 10.829 ======================= Grid point 13 (9/156) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 10.942 7.417 6.060) 14.542 1.039 ( 13.129 16.384 9.250) 22.943 1.375 ( 0.618 17.267 -3.724) 17.675 1.543 ( -3.272 7.933 -5.100) 9.982 1.691 ( 20.444 10.711 13.142) 26.560 2.003 ( 0.587 -1.118 1.377) 1.869 2.089 ( -6.087 -0.530 -3.265) 6.928 2.312 ( -3.132 -3.486 -3.901) 6.097 2.860 ( 0.937 8.827 1.808) 9.059 2.985 ( -2.432 4.061 2.959) 5.582 3.057 ( 2.186 3.704 -3.278) 5.408 3.146 ( -0.031 6.070 -1.807) 6.333 3.319 ( 1.102 6.835 -6.513) 9.506 3.530 ( 0.781 -2.452 2.508) 3.594 3.663 ( -0.390 4.700 2.906) 5.539 3.825 ( -0.144 5.070 -0.442) 5.092 5.101 ( -0.306 -3.016 3.406) 4.560 5.134 ( -1.552 -1.178 -0.388) 1.986 5.243 ( 0.515 -3.233 -4.289) 5.396 5.365 ( -0.532 -2.645 1.115) 2.919 5.485 ( -2.091 3.182 3.691) 5.303 5.686 ( -3.190 -2.928 -0.937) 4.430 5.750 ( -0.777 -0.351 -0.716) 1.113 6.061 ( 0.007 -1.041 0.128) 1.049 6.086 ( 3.325 3.696 -4.371) 6.620 6.205 ( -0.056 0.486 6.322) 6.341 6.255 ( 3.606 3.172 5.637) 7.405 6.535 ( 0.667 2.886 -7.241) 7.823 6.778 ( -2.747 -0.571 0.857) 2.934 6.911 ( -2.723 0.455 -2.910) 4.011 7.016 ( -0.516 -6.158 3.684) 7.195 7.209 ( -3.701 3.586 0.917) 5.234 7.359 ( -0.136 -0.744 -2.270) 2.392 7.417 ( -0.852 -2.325 0.324) 2.497 7.507 ( 4.184 -0.703 1.316) 4.442 7.853 ( 4.067 -4.399 -6.427) 8.786 8.036 ( 9.968 0.403 7.966) 12.766 8.326 ( 3.488 -5.575 -0.355) 6.586 9.065 ( -1.809 1.939 -0.475) 2.694 9.126 ( -0.715 2.188 0.007) 2.302 9.901 ( -2.013 0.059 -0.931) 2.219 9.969 ( -1.795 -0.956 1.379) 2.457 10.022 ( -2.524 6.182 -1.731) 6.898 10.163 ( -2.936 -1.813 -0.298) 3.464 10.926 ( -0.022 1.009 -0.094) 1.013 10.981 ( 0.309 2.310 0.313) 2.351 11.048 ( 0.675 -3.348 -0.168) 3.420 11.100 ( -1.121 -0.179 -3.188) 3.384 ======================= Grid point 14 (10/156) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 8.811 4.252 4.889) 10.937 1.313 ( 8.852 15.259 7.816) 19.294 1.347 ( -0.390 19.389 -3.840) 19.769 1.491 ( 3.615 4.946 -2.218) 6.516 1.849 ( -10.961 3.350 -6.400) 13.127 2.016 ( -0.315 -1.033 -1.639) 1.963 2.141 ( 10.300 0.334 7.173) 12.556 2.269 ( 3.566 -1.058 1.669) 4.077 2.893 ( 0.479 7.111 2.691) 7.619 2.979 ( -0.936 2.587 2.040) 3.425 3.058 ( 1.280 3.670 -3.384) 5.153 3.115 ( -0.472 5.451 -2.637) 6.073 3.297 ( 1.246 8.038 -3.623) 8.904 3.558 ( 1.314 1.093 -0.325) 1.740 3.689 ( -0.499 4.710 4.471) 6.513 3.803 ( -1.190 3.094 -1.801) 3.773 5.037 ( -4.199 -1.916 0.187) 4.619 5.136 ( -2.348 -0.091 2.066) 3.129 5.209 ( -0.225 -2.741 -3.767) 4.664 5.408 ( 3.777 -1.686 1.941) 4.569 5.522 ( -1.159 1.917 8.536) 8.825 5.673 ( 1.840 -2.354 0.600) 3.048 5.731 ( -0.011 0.360 -1.628) 1.667 6.064 ( 1.965 -1.032 -0.142) 2.224 6.136 ( 3.459 2.566 -1.088) 4.442 6.215 ( -4.187 0.873 3.355) 5.436 6.306 ( -2.797 1.621 2.688) 4.204 6.492 ( 1.503 0.807 -7.240) 7.438 6.743 ( 0.018 1.097 -0.982) 1.473 6.817 ( -3.507 -1.599 -3.238) 5.034 7.009 ( -2.002 -0.110 0.918) 2.205 7.149 ( -3.970 6.071 0.548) 7.275 7.296 ( -2.706 -0.198 -1.962) 3.348 7.469 ( 2.432 -3.884 2.203) 5.085 7.648 ( 8.773 -2.136 2.721) 9.431 7.792 ( -0.801 1.435 -5.876) 6.102 8.290 ( 9.331 -5.326 5.637) 12.133 8.356 ( 0.909 -6.571 -1.628) 6.830 9.030 ( -1.615 1.827 -0.487) 2.487 9.106 ( -1.583 2.407 -0.094) 2.882 9.871 ( -0.845 0.844 0.031) 1.195 9.951 ( -1.420 -1.347 0.876) 2.144 9.980 ( -1.287 4.194 -0.717) 4.446 10.101 ( -3.623 0.935 -0.139) 3.744 10.931 ( 0.529 0.478 -0.322) 0.782 10.994 ( 0.519 0.646 1.127) 1.399 11.059 ( 0.676 0.107 -0.533) 0.867 11.065 ( -0.318 -2.942 -1.690) 3.407 ======================= Grid point 15 (11/156) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 5.575 4.664 3.284) 7.976 1.299 ( -1.368 17.031 -2.409) 17.255 1.480 ( 3.538 12.991 3.905) 14.019 1.537 ( -5.229 3.812 -5.254) 8.335 1.641 ( 3.111 8.071 -0.672) 8.676 1.931 ( -5.391 2.720 -3.514) 6.986 2.266 ( 4.121 -4.784 2.476) 6.782 2.450 ( 6.551 -1.909 4.387) 8.112 2.917 ( -1.429 1.034 2.826) 3.331 2.984 ( 0.978 0.482 0.091) 1.094 3.050 ( 1.341 6.513 -2.862) 7.239 3.096 ( -0.094 7.839 -0.649) 7.866 3.282 ( -0.065 6.785 -2.033) 7.084 3.580 ( 1.634 6.638 -0.177) 6.839 3.718 ( -0.228 5.830 2.796) 6.470 3.756 ( -1.867 -0.310 -2.020) 2.768 4.993 ( -2.190 -0.771 2.420) 3.354 5.102 ( -2.264 0.685 0.635) 2.449 5.166 ( -0.816 -2.232 -3.263) 4.036 5.503 ( 4.741 -1.191 0.146) 4.891 5.572 ( -2.002 -0.615 8.190) 8.453 5.721 ( 3.124 -0.376 -2.480) 4.006 5.745 ( 1.881 -1.748 1.903) 3.196 6.081 ( -8.547 1.358 -0.214) 8.657 6.120 ( 3.324 -0.434 0.801) 3.446 6.200 ( 3.096 3.237 -1.265) 4.655 6.288 ( -1.714 0.925 3.572) 4.068 6.452 ( 0.393 -1.350 -4.524) 4.737 6.670 ( -3.479 0.820 -5.912) 6.909 6.827 ( 2.926 -1.463 2.148) 3.914 6.975 ( -1.765 4.516 0.238) 4.854 7.104 ( -1.527 5.649 0.238) 5.856 7.244 ( -1.783 -1.259 -1.098) 2.443 7.509 ( -0.119 -1.424 2.404) 2.796 7.615 ( -4.143 0.888 -6.369) 7.650 7.948 ( 11.779 -4.179 5.099) 13.498 8.316 ( -2.241 -6.409 -2.758) 7.329 8.461 ( 5.096 -6.137 2.732) 8.432 9.003 ( -0.702 1.624 -0.493) 1.836 9.068 ( -2.401 2.247 -0.300) 3.302 9.866 ( -0.090 1.522 0.179) 1.535 9.938 ( -0.684 -1.247 0.552) 1.526 9.958 ( -0.693 0.795 -0.390) 1.124 10.046 ( -2.381 5.349 0.201) 5.859 10.933 ( 0.092 0.123 -0.424) 0.451 11.015 ( 0.400 -2.016 1.039) 2.303 11.051 ( 0.201 -1.486 -0.581) 1.608 11.066 ( 0.402 1.418 -0.571) 1.580 ======================= Grid point 16 (12/156) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 15.741 -0.000) 15.741 1.256 ( 0.000 1.382 0.000) 1.382 1.406 ( 0.000 10.510 0.000) 10.510 1.536 ( 0.000 12.527 0.000) 12.527 1.763 ( -0.000 2.803 -0.000) 2.803 1.807 ( 0.000 8.180 0.000) 8.180 2.324 ( 0.000 -5.611 0.000) 5.611 2.526 ( 0.000 -2.934 0.000) 2.934 2.906 ( 0.000 -5.585 -0.000) 5.585 3.011 ( 0.000 6.592 0.000) 6.592 3.042 ( 0.000 3.866 -0.000) 3.866 3.094 ( -0.000 10.116 0.000) 10.116 3.268 ( 0.000 5.265 -0.000) 5.265 3.600 ( 0.000 11.711 0.000) 11.711 3.723 ( 0.000 -4.419 0.000) 4.419 3.729 ( 0.000 6.702 -0.000) 6.702 4.989 ( 0.000 -0.566 -0.000) 0.566 5.084 ( 0.000 1.330 0.000) 1.330 5.139 ( 0.000 -2.310 -0.000) 2.310 5.547 ( 0.000 -0.714 0.000) 0.714 5.595 ( 0.000 -1.615 -0.000) 1.615 5.755 ( -0.000 -0.363 -0.000) 0.363 5.760 ( 0.000 -3.354 0.000) 3.354 5.990 ( 0.000 3.187 0.000) 3.187 6.168 ( 0.000 0.886 -0.000) 0.886 6.214 ( 0.000 2.224 0.000) 2.224 6.302 ( 0.000 1.330 -0.000) 1.330 6.433 ( 0.000 -1.835 0.000) 1.835 6.600 ( 0.000 -1.548 0.000) 1.548 6.867 ( 0.000 -1.403 0.000) 1.403 6.966 ( 0.000 7.543 -0.000) 7.543 7.091 ( 0.000 4.371 -0.000) 4.371 7.220 ( 0.000 -1.158 0.000) 1.158 7.507 ( 0.000 3.628 -0.000) 3.628 7.547 ( 0.000 -2.031 0.000) 2.031 8.116 ( 0.000 -10.738 0.000) 10.738 8.252 ( 0.000 -1.543 0.000) 1.543 8.519 ( 0.000 -6.670 0.000) 6.670 8.998 ( 0.000 1.901 0.000) 1.901 9.037 ( 0.000 1.862 0.000) 1.862 9.866 ( 0.000 1.660 0.000) 1.660 9.935 ( 0.000 -1.324 0.000) 1.324 9.950 ( 0.000 -1.263 0.000) 1.263 10.027 ( 0.000 8.200 -0.000) 8.200 10.931 ( 0.000 0.036 0.000) 0.036 11.022 ( 0.000 -3.537 -0.000) 3.537 11.055 ( 0.000 -4.863 0.000) 4.863 11.065 ( 0.000 6.385 0.000) 6.385 ======================= Grid point 22 (13/156) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 19.370 0.000) 19.370 0.914 ( 0.000 23.188 0.000) 23.188 1.655 ( 0.000 32.530 0.000) 32.530 1.757 ( 0.000 16.549 0.000) 16.549 1.936 ( 0.000 2.495 0.000) 2.495 2.040 ( 0.000 17.173 0.000) 17.173 2.200 ( 0.000 0.122 0.000) 0.122 2.301 ( 0.000 -5.795 0.000) 5.795 2.901 ( 0.000 -8.137 0.000) 8.137 3.060 ( 0.000 13.782 0.000) 13.782 3.181 ( 0.000 -13.174 0.000) 13.174 3.293 ( 0.000 13.232 0.000) 13.232 3.346 ( 0.000 11.661 0.000) 11.661 3.707 ( 0.000 12.128 0.000) 12.128 3.719 ( 0.000 7.256 0.000) 7.256 3.999 ( 0.000 11.346 0.000) 11.346 4.931 ( 0.000 -1.629 0.000) 1.629 5.120 ( 0.000 -3.450 0.000) 3.450 5.181 ( 0.000 -5.180 0.000) 5.180 5.361 ( 0.000 -2.800 0.000) 2.800 5.541 ( 0.000 -0.593 0.000) 0.593 5.786 ( 0.000 2.018 0.000) 2.018 5.881 ( 0.000 1.162 0.000) 1.162 5.923 ( 0.000 1.857 0.000) 1.857 5.974 ( 0.000 -1.770 0.000) 1.770 6.173 ( 0.000 -2.312 0.000) 2.312 6.348 ( 0.000 8.575 0.000) 8.575 6.545 ( 0.000 -3.121 0.000) 3.121 6.747 ( 0.000 -0.262 0.000) 0.262 6.815 ( 0.000 5.059 0.000) 5.059 7.098 ( 0.000 7.266 0.000) 7.266 7.236 ( 0.000 9.505 0.000) 9.505 7.314 ( 0.000 -7.221 0.000) 7.221 7.356 ( 0.000 -1.767 0.000) 1.767 7.512 ( 0.000 -0.023 0.000) 0.023 7.580 ( 0.000 2.990 0.000) 2.990 8.092 ( 0.000 7.134 0.000) 7.134 8.139 ( 0.000 -4.521 0.000) 4.521 9.141 ( 0.000 1.375 0.000) 1.375 9.171 ( 0.000 1.868 0.000) 1.868 9.880 ( 0.000 -4.771 0.000) 4.771 10.003 ( 0.000 -1.273 0.000) 1.273 10.086 ( 0.000 -8.177 0.000) 8.177 10.244 ( 0.000 1.179 0.000) 1.179 10.845 ( 0.000 -5.817 0.000) 5.817 10.937 ( 0.000 -6.559 0.000) 6.559 11.008 ( 0.000 1.366 0.000) 1.366 11.322 ( 0.000 -3.715 0.000) 3.715 ======================= Grid point 23 (14/156) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 6.563 17.006 0.412) 18.233 1.043 ( 11.090 18.746 5.279) 22.412 1.699 ( -0.543 10.639 -2.434) 10.927 1.775 ( 5.017 30.583 6.057) 31.578 1.921 ( 0.231 9.571 -3.760) 10.286 2.023 ( -2.558 13.684 2.469) 14.139 2.168 ( -1.682 0.525 -2.744) 3.261 2.289 ( -1.043 -4.630 -0.874) 4.825 2.906 ( -0.101 -8.108 1.176) 8.194 3.045 ( -2.197 8.386 1.839) 8.861 3.199 ( 1.661 -3.951 -0.709) 4.345 3.296 ( 0.717 11.072 -1.144) 11.154 3.372 ( 1.953 10.058 1.932) 10.427 3.650 ( -1.279 11.332 -4.987) 12.447 3.751 ( 0.039 7.536 2.596) 7.970 4.004 ( 0.860 11.443 -1.058) 11.524 4.974 ( 1.947 -2.522 4.373) 5.411 5.116 ( -0.165 -2.565 -0.303) 2.588 5.178 ( 0.826 -5.183 -2.571) 5.845 5.340 ( 0.151 -2.434 -4.045) 4.723 5.520 ( -3.221 -0.497 3.307) 4.643 5.748 ( 0.164 1.445 -2.735) 3.098 5.787 ( -9.209 -1.019 -0.226) 9.268 5.987 ( 5.397 -0.419 2.953) 6.166 6.079 ( 4.464 0.008 3.859) 5.901 6.171 ( 1.960 2.294 -2.757) 4.087 6.331 ( -2.416 6.889 2.140) 7.608 6.620 ( 0.014 -2.653 2.463) 3.621 6.749 ( 4.461 -0.758 4.457) 6.352 6.821 ( -0.313 2.052 -3.391) 3.976 7.026 ( -3.830 3.530 -3.080) 6.052 7.261 ( 0.701 0.019 -0.882) 1.126 7.298 ( -0.121 -1.962 0.161) 1.973 7.421 ( 4.041 1.863 1.950) 4.858 7.512 ( -1.641 2.378 0.374) 2.914 7.635 ( 6.270 0.088 2.202) 6.646 8.082 ( -0.219 6.763 -1.208) 6.874 8.163 ( 2.447 -4.752 0.243) 5.351 9.134 ( -0.919 1.903 -0.234) 2.126 9.165 ( -0.379 1.220 -0.055) 1.279 9.877 ( -0.169 -4.073 -0.149) 4.080 9.972 ( -2.392 -2.782 -0.375) 3.688 10.102 ( 0.323 -5.961 0.133) 5.971 10.203 ( -2.342 2.857 -1.783) 4.102 10.864 ( 1.165 -5.200 0.955) 5.414 10.937 ( -0.005 -6.032 0.211) 6.036 11.022 ( 1.167 1.546 0.806) 2.098 11.235 ( -5.275 -0.503 -5.266) 7.470 ======================= Grid point 24 (15/156) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 7.748 13.344 2.017) 15.561 1.320 ( 12.380 12.776 6.307) 18.875 1.641 ( -0.031 9.947 -4.199) 10.797 1.858 ( -1.444 21.187 -2.901) 21.433 1.957 ( 2.205 3.824 3.678) 5.745 2.052 ( 4.297 12.021 3.565) 13.254 2.103 ( -2.181 9.689 -0.750) 9.960 2.251 ( -1.225 -2.163 -2.227) 3.337 2.909 ( -1.037 -8.342 0.827) 8.447 3.025 ( -2.334 3.721 2.625) 5.117 3.214 ( 1.291 5.412 -1.535) 5.772 3.289 ( 0.492 10.281 -2.585) 10.612 3.443 ( 2.989 7.328 3.410) 8.617 3.586 ( -0.949 10.437 -4.314) 11.333 3.772 ( 0.023 6.822 2.623) 7.309 4.002 ( 0.547 11.855 -2.501) 12.128 5.024 ( -0.881 -4.144 1.643) 4.544 5.122 ( 1.086 -0.373 0.266) 1.179 5.163 ( -0.208 -4.735 -1.561) 4.990 5.317 ( 1.405 -2.281 -2.059) 3.379 5.523 ( -0.246 0.290 4.676) 4.692 5.647 ( -7.428 -0.648 3.809) 8.372 5.745 ( 1.545 0.513 -2.847) 3.279 6.053 ( 1.320 0.675 -0.965) 1.770 6.161 ( 1.433 1.245 1.097) 2.193 6.215 ( 3.216 3.045 1.471) 4.667 6.332 ( -0.835 3.929 4.680) 6.167 6.573 ( -1.947 0.569 -4.237) 4.698 6.753 ( -3.408 -1.728 -0.780) 3.900 6.917 ( 4.339 -3.429 2.541) 6.086 6.928 ( -2.079 1.443 -2.600) 3.628 7.257 ( -0.954 1.442 0.837) 1.921 7.321 ( 3.664 -1.767 -0.717) 4.131 7.445 ( -4.679 3.732 -1.691) 6.219 7.506 ( 3.524 1.218 2.407) 4.438 7.780 ( 6.191 -3.050 -0.644) 6.931 8.089 ( 2.436 3.521 1.220) 4.451 8.211 ( 2.225 -5.264 0.048) 5.715 9.106 ( -1.666 2.067 -0.566) 2.714 9.158 ( -0.571 1.065 0.040) 1.209 9.873 ( -0.225 -1.971 0.377) 2.019 9.931 ( -1.650 -3.402 -0.615) 3.830 10.071 ( -2.533 -1.956 -1.206) 3.420 10.175 ( -0.269 3.541 -0.120) 3.553 10.889 ( 0.822 -4.082 0.641) 4.213 10.942 ( 0.131 -5.032 0.306) 5.043 11.061 ( 1.798 2.554 1.517) 3.473 11.103 ( -3.535 0.281 -4.873) 6.027 ======================= Grid point 25 (16/156) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 7.146 9.703 2.669) 12.342 1.536 ( 6.358 7.881 3.418) 10.687 1.659 ( 4.144 10.258 -1.395) 11.151 1.800 ( -1.783 24.966 -2.584) 25.162 1.951 ( -6.900 5.691 -2.067) 9.180 1.999 ( 1.451 -0.392 0.471) 1.575 2.217 ( 0.675 4.846 -1.722) 5.187 2.264 ( 6.719 6.493 5.024) 10.609 2.876 ( -2.762 -8.862 -0.757) 9.313 3.017 ( -1.232 1.872 2.930) 3.688 3.215 ( 0.868 8.255 -2.549) 8.683 3.280 ( 1.094 10.906 -1.687) 11.090 3.511 ( 0.014 13.438 -0.273) 13.441 3.549 ( 1.330 1.571 0.716) 2.179 3.811 ( 1.301 7.673 3.483) 8.526 3.971 ( -0.830 12.261 -3.719) 12.839 4.996 ( -1.994 -2.045 0.091) 2.858 5.118 ( -0.176 -2.591 -2.753) 3.784 5.156 ( -1.177 -1.660 1.757) 2.688 5.371 ( 5.462 -2.004 0.082) 5.819 5.565 ( -4.078 2.455 9.471) 10.599 5.624 ( 1.723 -2.455 3.162) 4.358 5.732 ( 0.158 0.089 -3.350) 3.355 6.067 ( 2.156 1.299 -0.607) 2.589 6.172 ( -1.741 0.356 2.082) 2.737 6.254 ( 0.221 3.621 0.065) 3.628 6.343 ( -2.463 2.009 2.208) 3.870 6.491 ( -1.453 -0.892 -6.599) 6.815 6.725 ( 0.664 -2.624 1.113) 2.926 6.826 ( -2.980 1.573 -4.785) 5.853 7.020 ( 2.562 1.246 2.350) 3.693 7.245 ( -1.405 2.402 1.229) 3.042 7.322 ( -4.779 4.448 -3.624) 7.467 7.403 ( 3.305 -2.458 1.642) 4.434 7.614 ( 5.490 -1.127 2.219) 6.028 7.806 ( 1.263 -0.200 -4.119) 4.313 8.176 ( 2.409 -6.415 2.278) 7.221 8.247 ( 3.137 -3.747 0.890) 4.967 9.069 ( -1.807 1.916 -0.800) 2.753 9.138 ( -1.640 0.792 -0.452) 1.876 9.884 ( 0.595 0.557 1.433) 1.649 9.904 ( -0.494 -3.210 -1.272) 3.488 10.016 ( -2.668 0.343 -0.502) 2.736 10.172 ( -0.219 4.871 0.245) 4.882 10.907 ( 0.855 -3.595 0.378) 3.715 10.942 ( -0.273 -4.831 -0.023) 4.839 11.019 ( -1.481 0.212 -3.585) 3.884 11.116 ( 2.021 3.062 2.202) 4.279 ======================= Grid point 26 (17/156) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 5.418 7.471 2.756) 9.631 1.572 ( -4.446 6.839 -4.121) 9.139 1.675 ( 0.021 8.179 0.824) 8.220 1.781 ( 1.975 18.329 -0.026) 18.435 1.858 ( -0.806 13.723 -2.105) 13.906 2.060 ( 2.627 10.772 2.363) 11.337 2.223 ( 1.277 1.677 0.158) 2.114 2.388 ( 3.498 -2.575 1.910) 4.745 2.808 ( -3.232 -8.802 -1.564) 9.506 3.044 ( 0.941 0.473 3.280) 3.445 3.197 ( 0.006 8.297 -3.191) 8.889 3.294 ( 1.237 10.768 -0.462) 10.849 3.462 ( -2.143 11.337 -1.890) 11.691 3.620 ( 2.475 1.997 3.265) 4.558 3.868 ( 1.548 9.127 2.563) 9.605 3.910 ( -1.884 13.017 -3.679) 13.657 4.975 ( -1.281 -0.988 1.650) 2.311 5.092 ( 0.420 -2.548 -2.821) 3.824 5.137 ( -2.253 0.193 1.039) 2.489 5.479 ( 7.008 -1.137 -2.165) 7.422 5.571 ( -4.853 0.893 9.355) 10.577 5.694 ( 0.923 -3.222 0.773) 3.440 5.713 ( 2.038 -0.342 -0.703) 2.183 6.085 ( -3.529 -0.998 0.321) 3.681 6.150 ( 2.246 3.239 0.377) 3.959 6.267 ( 1.760 3.118 -0.320) 3.595 6.311 ( -2.805 1.496 2.535) 4.066 6.425 ( -0.292 -1.102 -4.477) 4.619 6.679 ( -4.332 -0.032 -4.886) 6.530 6.811 ( 2.544 -0.266 1.268) 2.855 7.072 ( 1.795 4.781 1.845) 5.429 7.216 ( -2.730 -0.007 -2.983) 4.044 7.239 ( -1.158 6.807 0.739) 6.944 7.462 ( 1.422 -3.301 1.881) 4.057 7.640 ( -1.814 1.264 -3.310) 3.980 7.849 ( 4.774 -4.967 0.736) 6.929 8.195 ( 0.823 -5.847 -0.183) 5.908 8.335 ( 3.094 -6.324 2.482) 7.465 9.035 ( -0.856 1.371 -0.703) 1.762 9.094 ( -2.490 0.382 -0.871) 2.665 9.886 ( -0.141 -3.630 -1.298) 3.858 9.912 ( 0.742 2.920 0.960) 3.162 9.975 ( -1.770 1.956 0.595) 2.704 10.174 ( 0.134 6.003 0.233) 6.009 10.926 ( 0.938 -3.202 0.268) 3.348 10.935 ( -0.378 -6.095 -0.083) 6.107 10.975 ( -0.882 -0.075 -2.009) 2.195 11.166 ( 1.421 4.718 1.505) 5.152 ======================= Grid point 27 (18/156) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 0.000 5.755 -0.000) 5.755 1.460 ( 0.000 9.688 0.000) 9.688 1.683 ( 0.000 9.575 0.000) 9.575 1.826 ( -0.000 23.688 -0.000) 23.688 1.830 ( 0.000 3.723 0.000) 3.723 2.096 ( 0.000 20.017 0.000) 20.017 2.246 ( 0.000 -2.545 0.000) 2.545 2.427 ( 0.000 -6.487 -0.000) 6.487 2.765 ( 0.000 -8.580 -0.000) 8.580 3.081 ( 0.000 -1.635 -0.000) 1.635 3.170 ( 0.000 9.063 0.000) 9.063 3.304 ( 0.000 10.401 -0.000) 10.401 3.430 ( 0.000 11.714 0.000) 11.714 3.665 ( 0.000 0.478 0.000) 0.478 3.866 ( 0.000 14.358 0.000) 14.358 3.896 ( 0.000 9.937 -0.000) 9.937 4.974 ( 0.000 -1.023 0.000) 1.023 5.085 ( 0.000 -2.952 -0.000) 2.952 5.115 ( 0.000 1.758 0.000) 1.758 5.547 ( -0.000 1.221 0.000) 1.221 5.561 ( 0.000 -1.818 -0.000) 1.818 5.692 ( 0.000 -3.481 0.000) 3.481 5.743 ( 0.000 -0.826 0.000) 0.826 6.039 ( 0.000 1.747 0.000) 1.747 6.208 ( -0.000 2.602 -0.000) 2.602 6.252 ( 0.000 0.861 0.000) 0.861 6.320 ( 0.000 0.677 -0.000) 0.677 6.399 ( 0.000 -0.537 0.000) 0.537 6.604 ( 0.000 1.543 0.000) 1.543 6.841 ( 0.000 -1.155 -0.000) 1.155 7.115 ( 0.000 7.310 0.000) 7.310 7.160 ( 0.000 -0.415 -0.000) 0.415 7.235 ( 0.000 5.758 0.000) 5.758 7.485 ( 0.000 -4.430 -0.000) 4.430 7.593 ( 0.000 4.778 0.000) 4.778 7.898 ( 0.000 -10.269 0.000) 10.269 8.209 ( 0.000 -2.924 0.000) 2.924 8.374 ( 0.000 -7.760 0.000) 7.760 9.031 ( 0.000 1.217 0.000) 1.217 9.057 ( -0.000 0.134 -0.000) 0.134 9.878 ( 0.000 -3.597 -0.000) 3.597 9.920 ( -0.000 3.379 0.000) 3.379 9.966 ( 0.000 2.749 0.000) 2.749 10.177 ( 0.000 6.411 -0.000) 6.411 10.931 ( 0.000 -7.412 -0.000) 7.412 10.943 ( 0.000 -4.048 0.000) 4.048 10.950 ( -0.000 1.579 0.000) 1.579 11.186 ( 0.000 5.405 0.000) 5.405 ======================= Grid point 33 (19/156) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 18.166 0.000) 18.166 1.344 ( 0.000 21.511 0.000) 21.511 1.822 ( 0.000 1.413 0.000) 1.413 2.000 ( 0.000 4.142 0.000) 4.142 2.114 ( 0.000 3.113 0.000) 3.113 2.220 ( 0.000 -2.565 0.000) 2.565 2.401 ( 0.000 21.391 0.000) 21.391 2.510 ( 0.000 28.789 0.000) 28.789 2.709 ( 0.000 -9.499 0.000) 9.499 2.892 ( 0.000 -15.843 0.000) 15.843 3.289 ( 0.000 8.954 0.000) 8.954 3.501 ( 0.000 7.174 0.000) 7.174 3.597 ( 0.000 13.572 0.000) 13.572 3.901 ( 0.000 10.997 0.000) 10.997 3.916 ( 0.000 9.535 0.000) 9.535 4.195 ( 0.000 7.890 0.000) 7.890 4.902 ( 0.000 -1.118 0.000) 1.118 5.079 ( 0.000 -0.641 0.000) 0.641 5.080 ( 0.000 -5.063 0.000) 5.063 5.302 ( 0.000 -3.460 0.000) 3.460 5.545 ( 0.000 1.033 0.000) 1.033 5.839 ( 0.000 3.630 0.000) 3.630 5.846 ( 0.000 -5.238 0.000) 5.238 5.957 ( 0.000 1.806 0.000) 1.806 5.966 ( 0.000 2.660 0.000) 2.660 6.173 ( 0.000 0.412 0.000) 0.412 6.488 ( 0.000 -2.339 0.000) 2.339 6.509 ( 0.000 7.132 0.000) 7.132 6.764 ( 0.000 2.424 0.000) 2.424 6.891 ( 0.000 2.803 0.000) 2.803 7.176 ( 0.000 -6.014 0.000) 6.014 7.223 ( 0.000 5.164 0.000) 5.164 7.324 ( 0.000 -1.324 0.000) 1.324 7.391 ( 0.000 4.349 0.000) 4.349 7.548 ( 0.000 5.063 0.000) 5.063 7.642 ( 0.000 3.190 0.000) 3.190 8.066 ( 0.000 -2.870 0.000) 2.870 8.196 ( 0.000 3.083 0.000) 3.083 9.163 ( 0.000 0.983 0.000) 0.983 9.193 ( 0.000 0.472 0.000) 0.472 9.824 ( 0.000 -0.682 0.000) 0.682 9.918 ( 0.000 -8.551 0.000) 8.551 9.937 ( 0.000 -5.337 0.000) 5.337 10.243 ( 0.000 -1.855 0.000) 1.855 10.751 ( 0.000 -3.700 0.000) 3.700 10.845 ( 0.000 -1.821 0.000) 1.821 10.989 ( 0.000 -3.584 0.000) 3.584 11.250 ( 0.000 -3.883 0.000) 3.883 ======================= Grid point 34 (20/156) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 4.043 16.868 0.009) 17.346 1.406 ( 5.621 18.716 2.395) 19.688 1.818 ( -0.521 3.497 0.070) 3.536 1.988 ( -0.613 2.782 -2.147) 3.567 2.076 ( -1.567 2.251 -2.305) 3.582 2.222 ( -0.531 -2.188 0.139) 2.255 2.398 ( -1.051 20.013 0.210) 20.042 2.525 ( 1.160 29.407 1.724) 29.480 2.715 ( -0.095 -9.738 1.075) 9.797 2.894 ( -0.586 -14.391 1.739) 14.508 3.309 ( 1.756 8.020 0.444) 8.222 3.492 ( -0.510 7.001 -0.782) 7.063 3.614 ( 1.130 13.368 1.107) 13.461 3.878 ( -0.979 11.995 -2.614) 12.316 3.909 ( -0.379 8.322 -0.366) 8.339 4.206 ( 1.830 8.482 -1.601) 8.823 4.927 ( 0.446 -1.983 3.562) 4.101 5.077 ( -2.771 -4.497 5.174) 7.394 5.092 ( 3.995 -0.618 -5.443) 6.780 5.289 ( 1.717 -3.088 -5.752) 6.750 5.518 ( -4.001 0.510 3.465) 5.318 5.728 ( -6.572 -2.693 0.940) 7.164 5.826 ( -2.741 4.334 -2.250) 5.601 5.996 ( 6.462 1.728 0.591) 6.716 6.078 ( 3.287 -0.016 4.177) 5.315 6.217 ( 3.650 1.667 1.477) 4.276 6.435 ( -3.044 3.016 0.297) 4.296 6.577 ( 1.266 -0.438 2.527) 2.860 6.784 ( 2.304 3.170 1.460) 4.182 6.860 ( -2.553 1.649 -3.882) 4.930 7.049 ( -5.394 -0.944 -4.792) 7.277 7.249 ( 0.277 -1.422 -2.962) 3.297 7.291 ( 0.772 2.514 1.411) 2.985 7.472 ( 3.094 1.793 3.469) 4.982 7.563 ( -0.280 2.918 0.751) 3.026 7.659 ( 1.805 2.061 0.753) 2.841 8.093 ( 2.265 -2.214 1.167) 3.375 8.186 ( -0.639 3.459 -1.467) 3.811 9.166 ( -0.033 1.337 0.085) 1.340 9.175 ( -1.359 0.049 -0.348) 1.404 9.824 ( 0.339 -2.306 -0.844) 2.479 9.884 ( -1.108 -4.009 -0.130) 4.162 9.982 ( 1.855 -6.709 0.812) 7.008 10.229 ( -0.190 -0.496 -1.407) 1.504 10.771 ( 1.155 -4.044 1.462) 4.453 10.855 ( 0.716 -1.563 0.484) 1.786 11.002 ( 0.959 -3.836 0.989) 4.076 11.206 ( -2.704 -2.251 -3.420) 4.906 ======================= Grid point 35 (21/156) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 5.044 14.578 0.575) 15.436 1.558 ( 7.472 12.185 3.283) 14.666 1.809 ( 0.887 8.207 -2.212) 8.546 1.953 ( -0.629 -1.085 -0.310) 1.292 2.049 ( -0.477 1.504 -0.884) 1.808 2.192 ( -1.938 1.171 -1.621) 2.785 2.368 ( -1.811 18.562 -0.090) 18.651 2.573 ( 1.521 25.427 1.906) 25.544 2.716 ( -1.093 -10.058 0.773) 10.147 2.905 ( -0.129 -10.976 2.171) 11.190 3.344 ( 1.584 6.444 0.044) 6.636 3.472 ( -0.536 6.634 -1.338) 6.789 3.647 ( 0.939 12.151 1.676) 12.302 3.830 ( -1.403 13.265 -2.584) 13.587 3.912 ( 0.986 7.561 0.792) 7.666 4.216 ( 1.316 9.205 -2.995) 9.770 4.959 ( -0.109 -2.395 2.217) 3.266 5.071 ( -0.007 -4.282 -1.366) 4.495 5.122 ( 1.600 0.105 0.704) 1.751 5.275 ( 3.262 -2.308 -5.252) 6.599 5.511 ( -0.936 -0.624 5.661) 5.772 5.644 ( -7.653 -0.490 8.616) 11.535 5.789 ( 1.507 4.222 -5.254) 6.907 6.088 ( 2.831 2.992 0.063) 4.119 6.141 ( 0.788 -1.913 2.506) 3.249 6.297 ( 3.335 3.566 0.830) 4.953 6.393 ( -2.777 2.610 2.362) 4.484 6.566 ( -2.642 -0.640 -1.609) 3.159 6.719 ( -4.828 -1.688 -2.471) 5.681 6.858 ( -0.357 -3.634 -2.756) 4.575 6.988 ( 3.319 4.830 0.521) 5.884 7.262 ( 2.333 -1.002 -1.289) 2.847 7.320 ( 1.744 2.114 1.085) 2.948 7.521 ( -2.932 3.471 -0.852) 4.623 7.546 ( 1.705 2.425 1.605) 3.371 7.720 ( 3.318 -3.620 1.322) 5.085 8.120 ( -0.709 -0.735 -1.687) 1.972 8.168 ( 0.816 1.039 0.162) 1.331 9.136 ( -1.774 0.913 -0.701) 2.115 9.168 ( -0.901 0.136 0.393) 0.993 9.822 ( 0.910 -4.499 -1.802) 4.931 9.890 ( 1.018 1.637 1.448) 2.411 10.001 ( 0.124 -5.079 -0.015) 5.081 10.228 ( 1.018 1.117 -0.795) 1.708 10.806 ( 1.200 -3.802 1.278) 4.186 10.871 ( 0.478 -1.473 0.257) 1.570 11.035 ( 1.058 -4.367 1.259) 4.667 11.126 ( -1.637 0.564 -3.310) 3.736 ======================= Grid point 36 (22/156) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 4.808 12.101 1.608) 13.120 1.682 ( 3.585 7.450 1.325) 8.373 1.812 ( 2.069 6.440 -3.335) 7.542 1.974 ( -1.755 -0.019 -0.821) 1.937 2.023 ( 1.178 1.907 3.462) 4.124 2.165 ( 1.449 5.261 -1.065) 5.560 2.344 ( -1.032 16.515 0.033) 16.547 2.586 ( -0.981 18.198 -0.709) 18.238 2.688 ( -2.294 -8.251 0.038) 8.564 2.930 ( 0.838 -7.232 1.871) 7.517 3.354 ( 0.268 5.182 -1.514) 5.405 3.457 ( 0.104 6.042 -0.865) 6.104 3.674 ( 0.476 10.382 1.234) 10.466 3.789 ( -1.411 14.580 -0.604) 14.660 3.962 ( 2.723 7.385 2.512) 8.262 4.190 ( -0.688 9.238 -3.765) 9.999 4.965 ( -0.626 -1.061 0.894) 1.522 5.054 ( 0.275 -3.347 -2.640) 4.272 5.146 ( 0.405 0.313 0.728) 0.890 5.333 ( 6.941 -2.099 -1.805) 7.473 5.574 ( 1.316 -1.593 5.715) 6.077 5.617 ( -6.208 1.227 11.153) 12.823 5.755 ( -0.214 3.074 -4.977) 5.854 6.091 ( -1.668 0.368 0.358) 1.745 6.177 ( 2.021 1.157 0.356) 2.356 6.325 ( -0.751 2.834 -0.352) 2.953 6.374 ( -2.599 1.256 2.213) 3.638 6.476 ( -1.664 0.005 -6.110) 6.333 6.673 ( -0.049 -2.488 1.242) 2.781 6.818 ( -0.754 -2.576 -1.886) 3.280 7.071 ( 3.412 3.882 1.286) 5.326 7.263 ( -1.076 0.312 -0.994) 1.498 7.379 ( 3.054 0.235 0.410) 3.090 7.438 ( -3.359 6.186 -2.264) 7.394 7.604 ( 2.337 -0.177 1.843) 2.982 7.775 ( 2.805 -3.308 -1.241) 4.511 8.082 ( -1.292 -2.644 -0.374) 2.967 8.194 ( 1.515 -2.249 0.716) 2.805 9.096 ( -2.261 0.827 -0.651) 2.494 9.139 ( -2.217 -0.535 -0.579) 2.353 9.824 ( 1.380 -3.404 -2.228) 4.296 9.937 ( 1.967 4.000 2.066) 4.913 10.001 ( 0.001 -2.076 0.642) 2.173 10.239 ( 0.752 1.646 -0.448) 1.864 10.831 ( 0.606 -3.312 0.118) 3.369 10.868 ( -0.394 -1.963 -0.381) 2.038 11.026 ( -0.661 -0.512 -2.526) 2.661 11.139 ( 2.619 -1.001 2.587) 3.815 ======================= Grid point 37 (23/156) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 3.989 10.455 2.390) 11.442 1.684 ( -2.827 5.311 -3.021) 6.732 1.819 ( 0.205 6.464 0.907) 6.531 1.900 ( -0.409 2.834 -3.543) 4.555 2.150 ( 4.575 0.618 5.182) 6.940 2.219 ( 4.328 4.482 1.663) 6.449 2.326 ( -1.180 15.032 -0.164) 15.079 2.525 ( -3.484 11.263 -3.510) 12.301 2.649 ( -1.866 -3.224 0.001) 3.725 2.966 ( 1.356 -5.074 1.372) 5.428 3.334 ( -0.505 4.850 -1.920) 5.240 3.455 ( 0.196 5.050 -0.412) 5.071 3.684 ( 0.111 11.741 0.155) 11.743 3.774 ( -0.760 12.625 1.130) 12.698 4.035 ( 2.488 7.354 2.248) 8.083 4.134 ( -1.679 9.023 -3.017) 9.661 4.959 ( -1.073 -0.619 1.224) 1.741 5.039 ( 0.745 -2.422 -2.297) 3.420 5.153 ( -0.258 1.432 0.559) 1.559 5.453 ( 7.979 -1.966 -2.656) 8.636 5.607 ( -5.292 1.959 9.113) 10.719 5.635 ( -0.168 -2.574 2.208) 3.395 5.722 ( 0.763 2.190 -0.777) 2.445 6.062 ( -1.839 -1.234 1.090) 2.468 6.206 ( 1.708 2.056 -1.185) 2.924 6.293 ( -1.398 -0.918 -1.743) 2.416 6.344 ( -2.249 2.371 2.479) 4.102 6.432 ( 0.812 1.856 -3.511) 4.053 6.674 ( -1.359 -0.234 -1.362) 1.939 6.807 ( 0.818 -0.537 0.633) 1.165 7.119 ( 0.391 0.064 1.621) 1.669 7.222 ( -0.720 0.430 -2.908) 3.027 7.388 ( -1.115 7.549 -0.067) 7.631 7.415 ( 1.058 -0.040 -0.439) 1.146 7.645 ( 1.243 -0.807 1.010) 1.794 7.787 ( 0.123 -1.892 -2.771) 3.358 8.096 ( 2.347 -4.218 1.628) 5.094 8.227 ( 0.776 -4.963 1.197) 5.164 9.052 ( -1.680 0.428 -0.409) 1.782 9.088 ( -2.390 -0.806 -1.238) 2.810 9.826 ( 0.857 -1.927 -1.671) 2.691 9.970 ( 0.334 2.056 0.657) 2.184 10.024 ( 1.110 3.387 1.750) 3.971 10.246 ( 0.467 1.342 -0.270) 1.447 10.818 ( -0.799 -4.246 -1.184) 4.480 10.877 ( 0.997 -1.262 0.618) 1.722 10.992 ( -0.864 0.499 -1.733) 2.000 11.212 ( 2.342 -0.349 2.235) 3.256 ======================= Grid point 38 (24/156) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.000 10.107 0.000) 10.107 1.611 ( 0.000 5.988 0.000) 5.988 1.828 ( 0.000 7.359 0.000) 7.359 1.888 ( 0.000 2.018 0.000) 2.018 2.218 ( 0.000 -0.589 -0.000) 0.589 2.301 ( 0.000 20.265 0.000) 20.265 2.311 ( 0.000 -4.821 -0.000) 4.821 2.446 ( 0.000 11.921 -0.000) 11.921 2.632 ( 0.000 -0.796 -0.000) 0.796 2.988 ( 0.000 -4.755 -0.000) 4.755 3.317 ( 0.000 5.180 0.000) 5.180 3.455 ( 0.000 4.639 -0.000) 4.639 3.685 ( 0.000 13.412 -0.000) 13.412 3.775 ( 0.000 10.361 0.000) 10.361 4.070 ( 0.000 7.433 -0.000) 7.433 4.101 ( 0.000 8.970 -0.000) 8.970 4.955 ( 0.000 -0.792 0.000) 0.792 5.036 ( 0.000 -2.040 -0.000) 2.040 5.152 ( 0.000 2.270 0.000) 2.270 5.522 ( 0.000 -2.584 -0.000) 2.584 5.597 ( 0.000 3.092 -0.000) 3.092 5.633 ( -0.000 -2.560 0.000) 2.560 5.737 ( 0.000 1.134 0.000) 1.134 6.059 ( 0.000 0.341 0.000) 0.341 6.234 ( 0.000 -0.167 -0.000) 0.167 6.238 ( -0.000 -1.547 0.000) 1.547 6.346 ( 0.000 2.273 -0.000) 2.273 6.423 ( 0.000 2.143 0.000) 2.143 6.644 ( 0.000 2.510 0.000) 2.510 6.825 ( 0.000 -0.622 -0.000) 0.622 7.125 ( 0.000 -2.242 0.000) 2.242 7.202 ( 0.000 -0.145 0.000) 0.145 7.380 ( 0.000 7.955 -0.000) 7.955 7.421 ( 0.000 0.337 0.000) 0.337 7.671 ( 0.000 2.989 0.000) 2.989 7.755 ( 0.000 -4.783 -0.000) 4.783 8.142 ( 0.000 -3.902 0.000) 3.902 8.236 ( 0.000 -6.504 0.000) 6.504 9.043 ( 0.000 0.112 0.000) 0.112 9.049 ( -0.000 -0.701 -0.000) 0.701 9.825 ( 0.000 -1.305 -0.000) 1.305 9.975 ( 0.000 1.878 0.000) 1.878 10.045 ( 0.000 4.879 0.000) 4.879 10.249 ( 0.000 1.025 -0.000) 1.025 10.803 ( 0.000 -4.792 -0.000) 4.792 10.893 ( 0.000 -0.709 0.000) 0.709 10.973 ( 0.000 0.368 0.000) 0.368 11.245 ( 0.000 0.238 0.000) 0.238 ======================= Grid point 44 (25/156) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 15.820 0.000) 15.820 1.727 ( 0.000 17.976 0.000) 17.976 1.806 ( 0.000 -3.231 0.000) 3.231 2.101 ( 0.000 6.846 0.000) 6.846 2.119 ( 0.000 -1.618 0.000) 1.618 2.197 ( 0.000 0.017 0.000) 0.017 2.389 ( 0.000 -12.392 0.000) 12.392 2.579 ( 0.000 -15.702 0.000) 15.702 2.909 ( 0.000 19.634 0.000) 19.634 3.034 ( 0.000 23.672 0.000) 23.672 3.368 ( 0.000 -1.346 0.000) 1.346 3.541 ( 0.000 -3.064 0.000) 3.064 3.847 ( 0.000 11.962 0.000) 11.962 4.052 ( 0.000 3.718 0.000) 3.718 4.105 ( 0.000 9.465 0.000) 9.465 4.278 ( 0.000 0.770 0.000) 0.770 4.897 ( 0.000 0.779 0.000) 0.779 4.994 ( 0.000 -3.911 0.000) 3.911 5.093 ( 0.000 1.925 0.000) 1.925 5.227 ( 0.000 -4.280 0.000) 4.280 5.581 ( 0.000 2.721 0.000) 2.721 5.740 ( 0.000 -5.311 0.000) 5.311 5.927 ( 0.000 5.402 0.000) 5.402 5.996 ( 0.000 2.326 0.000) 2.326 6.019 ( 0.000 1.801 0.000) 1.801 6.148 ( 0.000 -3.300 0.000) 3.300 6.477 ( 0.000 1.427 0.000) 1.427 6.578 ( 0.000 -0.161 0.000) 0.161 6.846 ( 0.000 5.312 0.000) 5.312 6.924 ( 0.000 0.743 0.000) 0.743 7.106 ( 0.000 -0.730 0.000) 0.730 7.234 ( 0.000 -3.435 0.000) 3.435 7.352 ( 0.000 3.378 0.000) 3.378 7.416 ( 0.000 -0.250 0.000) 0.250 7.670 ( 0.000 5.405 0.000) 5.405 7.693 ( 0.000 2.074 0.000) 2.074 8.042 ( 0.000 0.914 0.000) 0.914 8.196 ( 0.000 -2.940 0.000) 2.940 9.183 ( 0.000 1.196 0.000) 1.196 9.201 ( 0.000 0.555 0.000) 0.555 9.752 ( 0.000 -5.329 0.000) 5.329 9.817 ( 0.000 -6.553 0.000) 6.553 9.894 ( 0.000 5.179 0.000) 5.179 10.165 ( 0.000 -6.141 0.000) 6.141 10.717 ( 0.000 0.590 0.000) 0.590 10.883 ( 0.000 5.297 0.000) 5.297 10.888 ( 0.000 -6.269 0.000) 6.269 11.157 ( 0.000 -6.163 0.000) 6.163 ======================= Grid point 45 (26/156) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 1.925 14.815 0.053) 14.940 1.728 ( 1.024 11.467 -1.234) 11.579 1.843 ( 1.599 1.722 4.175) 4.792 2.078 ( -0.862 6.358 -5.486) 8.442 2.098 ( -1.786 1.040 1.194) 2.387 2.194 ( 0.302 -0.474 -0.174) 0.588 2.396 ( -0.102 -12.431 1.461) 12.517 2.578 ( -0.246 -14.765 -0.108) 14.768 2.909 ( -0.127 19.032 0.472) 19.039 3.037 ( -0.329 22.545 1.023) 22.570 3.378 ( 0.681 -1.627 0.468) 1.824 3.531 ( -0.686 -3.043 -0.711) 3.199 3.855 ( 0.386 11.097 0.509) 11.116 4.023 ( -1.701 3.595 -1.219) 4.160 4.105 ( 0.940 10.278 -2.060) 10.524 4.301 ( 2.758 1.169 -1.460) 3.332 4.910 ( -0.467 0.359 3.425) 3.475 4.996 ( -1.215 -3.665 2.755) 4.743 5.104 ( 2.509 1.516 -2.492) 3.847 5.220 ( 2.242 -3.957 -5.285) 6.973 5.545 ( -4.589 2.342 3.013) 5.968 5.670 ( -6.059 -3.342 2.611) 7.396 5.924 ( -0.588 5.426 -2.195) 5.883 6.043 ( 5.780 1.993 -1.664) 6.336 6.078 ( 2.167 0.649 5.197) 5.668 6.212 ( 4.214 -2.369 3.914) 6.220 6.470 ( -0.346 2.131 -0.871) 2.328 6.577 ( -0.977 -0.981 1.281) 1.887 6.843 ( -2.361 2.305 -2.535) 4.161 6.876 ( -3.443 0.069 -2.970) 4.548 7.052 ( -1.214 2.459 -2.360) 3.618 7.206 ( 0.639 -3.113 -3.087) 4.431 7.368 ( 0.624 4.457 1.614) 4.781 7.476 ( 3.557 -1.016 3.202) 4.892 7.619 ( -2.933 2.610 0.036) 3.926 7.686 ( -2.431 0.122 -0.288) 2.451 8.088 ( 3.114 1.757 1.541) 3.893 8.205 ( 0.264 -1.403 -0.531) 1.523 9.173 ( -1.323 0.402 0.127) 1.388 9.190 ( -0.700 0.684 -0.533) 1.114 9.742 ( 0.210 -3.576 -0.820) 3.675 9.845 ( 2.022 -6.887 0.631) 7.206 9.918 ( 2.371 5.348 0.257) 5.855 10.175 ( 1.722 -5.112 -0.916) 5.472 10.730 ( 0.803 0.275 1.410) 1.646 10.880 ( 0.402 0.224 -0.098) 0.471 10.905 ( 0.701 -1.855 0.966) 2.206 11.137 ( -1.037 -5.206 -2.053) 5.691 ======================= Grid point 46 (27/156) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 2.489 12.559 0.408) 12.810 1.745 ( 1.648 4.210 -0.260) 4.528 1.926 ( 2.628 4.243 5.308) 7.286 1.998 ( -1.324 7.673 -5.875) 9.754 2.078 ( -1.848 1.800 0.780) 2.695 2.204 ( 1.373 1.598 -1.184) 2.417 2.405 ( -0.800 -11.986 1.772) 12.142 2.566 ( -0.548 -12.007 -0.992) 12.060 2.913 ( -0.074 17.270 0.378) 17.274 3.038 ( -0.734 19.859 1.279) 19.914 3.390 ( 0.168 -2.371 0.068) 2.378 3.507 ( -0.993 -3.195 -1.256) 3.573 3.864 ( 0.147 9.754 0.774) 9.786 3.999 ( 0.058 3.599 0.154) 3.603 4.101 ( 0.556 11.473 -1.992) 11.658 4.323 ( 1.509 1.595 -2.793) 3.553 4.936 ( -0.086 -0.024 2.995) 2.997 5.000 ( -0.433 -3.040 1.196) 3.296 5.133 ( 3.276 1.144 -2.291) 4.158 5.224 ( 4.521 -2.998 -5.879) 8.000 5.518 ( -3.005 1.523 6.815) 7.602 5.618 ( -5.532 -2.249 7.958) 9.950 5.894 ( 0.359 6.274 -3.889) 7.390 6.095 ( 0.306 -3.201 0.635) 3.277 6.164 ( 3.434 4.727 1.588) 6.055 6.318 ( 2.617 -1.502 3.355) 4.512 6.448 ( -1.307 3.427 -0.417) 3.692 6.557 ( -2.782 -0.728 0.757) 2.974 6.695 ( -5.965 -0.501 -4.568) 7.529 6.778 ( -3.214 -4.221 -4.463) 6.933 7.089 ( 4.484 5.191 0.435) 6.873 7.231 ( 3.602 -2.197 -1.736) 4.562 7.392 ( 0.471 5.089 1.817) 5.424 7.563 ( 1.580 0.673 1.712) 2.425 7.583 ( -0.221 1.054 -0.036) 1.077 7.639 ( -1.727 -4.282 0.897) 4.704 8.123 ( -0.408 1.264 -0.896) 1.603 8.180 ( -1.403 -0.323 -1.544) 2.111 9.143 ( -1.942 0.197 -0.152) 1.958 9.168 ( -1.821 -0.299 0.110) 1.849 9.756 ( 2.516 -1.347 -1.512) 3.230 9.887 ( 2.320 -6.196 0.157) 6.618 9.974 ( 3.116 6.253 1.260) 7.099 10.205 ( 2.346 -3.448 -0.883) 4.263 10.769 ( 1.672 0.271 1.969) 2.598 10.894 ( 0.505 3.428 -0.440) 3.492 10.928 ( 1.372 -5.947 1.788) 6.359 11.095 ( -0.956 -3.763 -2.628) 4.689 ======================= Grid point 47 (28/156) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 2.573 10.196 1.492) 10.621 1.769 ( 0.858 -0.312 -0.120) 0.921 1.936 ( -0.305 7.918 -4.449) 9.087 2.016 ( 0.990 4.788 2.790) 5.629 2.055 ( 0.311 1.491 1.933) 2.461 2.221 ( 1.813 3.367 -1.149) 3.993 2.397 ( -1.614 -10.515 1.026) 10.687 2.544 ( -0.579 -9.363 -1.373) 9.481 2.906 ( -0.820 16.895 -0.521) 16.923 3.041 ( -0.000 16.524 1.454) 16.588 3.379 ( -0.824 -3.089 -1.013) 3.354 3.481 ( -0.559 -3.588 -1.054) 3.782 3.882 ( 0.752 10.031 1.342) 10.148 4.025 ( 1.054 6.463 1.239) 6.665 4.089 ( 0.061 8.123 -0.493) 8.138 4.296 ( -1.157 1.503 -3.507) 3.987 4.956 ( -0.552 0.060 2.099) 2.172 5.000 ( 0.376 -2.193 -0.861) 2.385 5.170 ( 3.278 2.182 -2.436) 4.630 5.286 ( 7.300 -2.895 -3.192) 8.477 5.556 ( -0.688 -0.059 7.035) 7.068 5.611 ( -4.696 -1.600 9.473) 10.694 5.855 ( -1.583 6.707 -2.399) 7.296 6.068 ( -3.400 -2.774 1.050) 4.512 6.219 ( 2.739 2.750 -1.608) 4.202 6.324 ( -2.825 -2.150 -1.120) 3.723 6.423 ( -2.451 3.568 1.599) 4.615 6.497 ( -0.982 1.364 -3.497) 3.880 6.636 ( 0.601 -1.001 1.344) 1.781 6.745 ( 1.275 -4.569 -0.206) 4.748 7.146 ( 1.327 3.576 -1.080) 3.965 7.252 ( 0.075 -1.583 -2.399) 2.875 7.424 ( 1.820 4.393 0.937) 4.847 7.539 ( -0.977 4.217 -1.167) 4.483 7.594 ( -0.254 -1.292 0.831) 1.557 7.686 ( 3.856 -5.248 1.385) 6.658 8.073 ( -2.434 1.117 -1.641) 3.140 8.151 ( -0.742 -2.280 -0.495) 2.449 9.102 ( -2.462 0.096 -0.384) 2.494 9.125 ( -2.887 -0.859 -0.344) 3.032 9.794 ( 3.357 0.596 -1.899) 3.903 9.929 ( 2.247 -4.406 0.260) 4.953 10.042 ( 2.842 5.861 1.920) 6.791 10.229 ( 1.061 -2.567 -0.776) 2.884 10.817 ( 1.602 2.104 1.233) 2.917 10.871 ( -1.134 2.180 -1.176) 2.725 10.988 ( 2.135 -3.281 0.347) 3.930 11.077 ( 1.323 -5.243 0.551) 5.436 ======================= Grid point 48 (29/156) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 2.663 8.275 2.810) 9.135 1.755 ( -1.601 0.809 -2.321) 2.933 1.908 ( 0.589 5.463 -1.329) 5.653 1.992 ( -1.369 5.655 -1.595) 6.033 2.146 ( 3.438 -0.474 4.441) 5.636 2.246 ( 1.781 2.741 -0.377) 3.290 2.364 ( -2.447 -8.684 -0.401) 9.031 2.524 ( -0.365 -7.869 -1.015) 7.943 2.878 ( -1.302 18.266 -0.822) 18.330 3.065 ( 0.960 13.955 1.293) 14.047 3.353 ( -0.791 -3.356 -1.164) 3.640 3.469 ( -0.034 -3.588 -0.476) 3.620 3.907 ( 0.529 10.807 1.140) 10.880 4.017 ( -1.226 11.314 -0.671) 11.400 4.123 ( 1.879 1.442 1.872) 3.019 4.233 ( -2.032 1.289 -2.801) 3.693 4.955 ( -1.057 0.310 1.270) 1.681 5.002 ( 0.711 -1.629 -1.004) 2.041 5.201 ( 2.077 3.787 -1.218) 4.487 5.393 ( 6.870 -4.341 -2.471) 8.493 5.596 ( -0.298 -1.021 2.474) 2.693 5.616 ( -3.473 -1.046 7.053) 7.931 5.820 ( -1.181 7.165 1.387) 7.393 6.032 ( -1.550 -2.324 2.218) 3.567 6.225 ( 0.127 0.275 -1.785) 1.810 6.259 ( -1.984 -1.808 -2.512) 3.677 6.399 ( -1.113 3.063 0.547) 3.305 6.464 ( -0.254 0.765 -2.205) 2.348 6.682 ( 1.636 1.358 1.517) 2.611 6.782 ( 1.403 -2.193 1.966) 3.262 7.114 ( -2.226 0.265 -1.616) 2.763 7.193 ( -2.509 -2.798 -4.337) 5.738 7.470 ( 2.211 4.837 0.800) 5.378 7.523 ( -0.034 5.907 -0.917) 5.978 7.621 ( 2.165 -1.369 2.076) 3.297 7.740 ( 1.289 -3.660 -1.633) 4.210 8.048 ( 0.423 -0.535 0.924) 1.149 8.141 ( -0.748 -4.133 0.268) 4.209 9.055 ( -2.118 0.022 -0.341) 2.145 9.071 ( -2.294 -0.831 -0.935) 2.613 9.829 ( 2.222 2.347 -1.382) 3.515 9.966 ( 1.410 -2.224 0.589) 2.698 10.101 ( 1.896 3.900 1.359) 4.544 10.231 ( 0.019 -2.518 -0.538) 2.575 10.803 ( -1.524 2.879 -1.479) 3.578 10.892 ( 2.047 2.544 1.468) 3.580 10.979 ( -0.936 -1.762 -1.859) 2.727 11.148 ( 3.107 -6.022 2.393) 7.186 ======================= Grid point 49 (30/156) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.000 8.033 0.000) 8.033 1.694 ( 0.000 2.958 0.000) 2.958 1.920 ( 0.000 2.835 0.000) 2.835 1.964 ( 0.000 6.076 -0.000) 6.076 2.209 ( 0.000 -0.877 0.000) 0.877 2.267 ( 0.000 0.916 0.000) 0.916 2.325 ( 0.000 -7.623 -0.000) 7.623 2.516 ( 0.000 -7.387 -0.000) 7.387 2.860 ( 0.000 19.091 -0.000) 19.091 3.083 ( 0.000 13.160 0.000) 13.160 3.339 ( 0.000 -3.373 0.000) 3.373 3.468 ( 0.000 -3.413 -0.000) 3.413 3.916 ( 0.000 10.799 -0.000) 10.799 4.001 ( 0.000 11.236 0.000) 11.236 4.151 ( 0.000 0.560 -0.000) 0.560 4.199 ( 0.000 1.392 -0.000) 1.392 4.951 ( 0.000 0.503 0.000) 0.503 5.004 ( 0.000 -1.527 0.000) 1.527 5.214 ( 0.000 4.506 0.000) 4.506 5.447 ( 0.000 -5.471 -0.000) 5.471 5.599 ( 0.000 -0.879 -0.000) 0.879 5.619 ( -0.000 -0.665 0.000) 0.665 5.824 ( 0.000 7.270 -0.000) 7.270 6.045 ( 0.000 -2.130 0.000) 2.130 6.213 ( 0.000 -0.833 -0.000) 0.833 6.219 ( -0.000 -0.920 0.000) 0.920 6.394 ( 0.000 2.417 -0.000) 2.417 6.450 ( 0.000 0.269 0.000) 0.269 6.702 ( 0.000 3.562 0.000) 3.562 6.809 ( 0.000 -1.259 -0.000) 1.259 7.086 ( 0.000 -1.564 0.000) 1.564 7.135 ( 0.000 -4.386 -0.000) 4.386 7.499 ( 0.000 5.530 -0.000) 5.530 7.516 ( 0.000 5.701 0.000) 5.701 7.695 ( 0.000 -1.973 0.000) 1.973 7.698 ( -0.000 -0.244 -0.000) 0.244 8.074 ( 0.000 -2.630 -0.000) 2.630 8.127 ( 0.000 -4.727 0.000) 4.727 9.037 ( 0.000 -0.433 0.000) 0.433 9.040 ( -0.000 -0.294 -0.000) 0.294 9.843 ( 0.000 3.137 0.000) 3.137 9.982 ( 0.000 -1.279 0.000) 1.279 10.125 ( 0.000 3.049 0.000) 3.049 10.227 ( 0.000 -2.731 -0.000) 2.731 10.780 ( 0.000 2.546 -0.000) 2.546 10.928 ( 0.000 4.354 0.000) 4.354 10.951 ( 0.000 -2.852 -0.000) 2.852 11.189 ( 0.000 -5.751 -0.000) 5.751 ======================= Grid point 55 (31/156) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.000 -10.274 0.000) 10.274 1.681 ( 0.000 10.274 0.000) 10.274 2.009 ( 0.000 -10.832 0.000) 10.832 2.009 ( 0.000 10.832 0.000) 10.832 2.224 ( 0.000 -3.625 0.000) 3.625 2.224 ( 0.000 3.625 0.000) 3.625 2.292 ( 0.000 -13.333 0.000) 13.333 2.292 ( 0.000 13.333 0.000) 13.333 3.230 ( 0.000 -12.723 0.000) 12.723 3.230 ( 0.000 12.723 0.000) 12.723 3.387 ( 0.000 -13.082 0.000) 13.082 3.387 ( 0.000 13.082 0.000) 13.082 4.029 ( 0.000 -6.130 0.000) 6.130 4.029 ( 0.000 6.130 0.000) 6.130 4.240 ( 0.000 -4.465 0.000) 4.465 4.240 ( 0.000 4.465 0.000) 4.465 4.931 ( 0.000 -2.609 0.000) 2.609 4.931 ( 0.000 2.609 0.000) 2.609 5.148 ( 0.000 -3.703 0.000) 3.703 5.148 ( 0.000 3.703 0.000) 3.703 5.648 ( 0.000 -4.241 0.000) 4.241 5.648 ( 0.000 4.241 0.000) 4.241 6.016 ( 0.000 -2.350 0.000) 2.350 6.016 ( 0.000 2.350 0.000) 2.350 6.060 ( 0.000 -4.961 0.000) 4.961 6.060 ( 0.000 4.961 0.000) 4.961 6.532 ( 0.000 -3.570 0.000) 3.570 6.532 ( 0.000 3.570 0.000) 3.570 6.918 ( 0.000 -1.730 0.000) 1.730 6.918 ( 0.000 1.730 0.000) 1.730 7.150 ( 0.000 -4.477 0.000) 4.477 7.150 ( 0.000 4.477 0.000) 4.477 7.400 ( 0.000 -1.505 0.000) 1.505 7.400 ( 0.000 1.505 0.000) 1.505 7.718 ( 0.000 -0.068 0.000) 0.068 7.718 ( 0.000 0.068 0.000) 0.068 8.108 ( 0.000 -5.215 0.000) 5.215 8.108 ( 0.000 5.215 0.000) 5.215 9.203 ( 0.000 -0.599 0.000) 0.599 9.203 ( 0.000 0.599 0.000) 0.599 9.721 ( 0.000 -2.371 0.000) 2.371 9.721 ( 0.000 2.371 0.000) 2.371 10.026 ( 0.000 -7.767 0.000) 7.767 10.026 ( 0.000 7.767 0.000) 7.767 10.774 ( 0.000 -4.976 0.000) 4.976 10.774 ( 0.000 4.976 0.000) 4.976 11.018 ( 0.000 -7.902 0.000) 7.902 11.018 ( 0.000 7.902 0.000) 7.902 ======================= Grid point 57 (32/156) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.236 -9.457 -0.295) 9.464 1.681 ( 0.236 9.457 -0.295) 9.464 2.022 ( 0.472 -9.137 1.729) 9.312 2.022 ( 0.472 9.137 1.729) 9.312 2.208 ( -1.282 -5.083 -0.677) 5.286 2.208 ( -1.282 5.083 -0.677) 5.286 2.300 ( 1.284 -12.807 -0.646) 12.888 2.300 ( 1.284 12.807 -0.646) 12.888 3.229 ( -0.729 -12.384 1.001) 12.446 3.229 ( -0.729 12.384 1.001) 12.446 3.382 ( -0.208 -12.185 -0.762) 12.211 3.382 ( -0.208 12.185 -0.762) 12.211 4.013 ( -1.095 -4.756 -0.678) 4.927 4.013 ( -1.095 4.756 -0.678) 4.927 4.258 ( 2.476 -5.325 -1.581) 6.082 4.258 ( 2.476 5.325 -1.581) 6.082 4.938 ( -0.996 -2.337 3.319) 4.179 4.938 ( -0.996 2.337 3.319) 4.179 5.149 ( 2.301 -3.184 -3.811) 5.474 5.149 ( 2.301 3.184 -3.811) 5.474 5.603 ( -5.001 -3.482 2.835) 6.721 5.603 ( -5.001 3.482 2.835) 6.721 6.016 ( 0.744 -3.706 -1.440) 4.045 6.016 ( 0.744 3.706 -1.440) 4.045 6.141 ( 5.144 -4.416 4.219) 7.985 6.141 ( 5.144 4.416 4.219) 7.985 6.529 ( -0.327 -3.483 -0.103) 3.499 6.529 ( -0.327 3.483 -0.103) 3.499 6.869 ( -4.965 -0.738 -3.493) 6.115 6.869 ( -4.965 0.738 -3.493) 6.115 7.130 ( 1.229 -4.646 -1.880) 5.160 7.130 ( 1.229 4.646 -1.880) 5.160 7.440 ( 2.348 -2.817 2.368) 4.365 7.440 ( 2.348 2.817 2.368) 4.365 7.663 ( -4.277 -2.063 -0.592) 4.785 7.663 ( -4.277 2.063 -0.592) 4.785 8.148 ( 2.235 -3.817 0.875) 4.509 8.148 ( 2.235 3.817 0.875) 4.509 9.188 ( -1.417 -0.804 -0.316) 1.660 9.188 ( -1.417 0.804 -0.316) 1.660 9.738 ( 1.901 -3.288 0.022) 3.798 9.738 ( 1.901 3.288 0.022) 3.798 10.048 ( 2.627 -7.460 -0.169) 7.911 10.048 ( 2.627 7.460 -0.169) 7.911 10.782 ( 0.500 -4.733 0.962) 4.856 10.782 ( 0.500 4.733 0.962) 4.856 11.013 ( -0.079 -7.149 -0.905) 7.207 11.013 ( -0.079 7.149 -0.905) 7.207 ======================= Grid point 59 (33/156) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.359 -7.930 -0.112) 7.939 1.684 ( 0.359 7.930 -0.112) 7.939 2.048 ( 0.231 -4.096 1.965) 4.549 2.048 ( 0.231 4.096 1.965) 4.549 2.179 ( -0.959 -9.428 -0.715) 9.504 2.179 ( -0.959 9.428 -0.715) 9.504 2.322 ( 1.891 -11.186 -0.996) 11.388 2.322 ( 1.891 11.186 -0.996) 11.388 3.222 ( -1.290 -11.575 1.349) 11.724 3.222 ( -1.290 11.575 1.349) 11.724 3.364 ( -0.648 -10.469 -1.619) 10.613 3.364 ( -0.648 10.469 -1.619) 10.613 3.998 ( -0.018 -3.756 0.370) 3.775 3.998 ( -0.018 3.756 0.370) 3.775 4.277 ( 1.244 -6.185 -2.421) 6.757 4.277 ( 1.244 6.185 -2.421) 6.757 4.954 ( -0.424 -1.753 2.747) 3.286 4.954 ( -0.424 1.753 2.747) 3.286 5.168 ( 4.455 -2.535 -4.435) 6.778 5.168 ( 4.455 2.535 -4.435) 6.778 5.564 ( -4.330 -2.963 7.073) 8.806 5.564 ( -4.330 2.963 7.073) 8.806 6.011 ( 0.162 -5.485 -1.750) 5.760 6.011 ( 0.162 5.485 -1.750) 5.760 6.256 ( 3.015 -4.474 2.954) 6.151 6.256 ( 3.015 4.474 2.954) 6.151 6.518 ( -1.325 -3.334 0.594) 3.636 6.518 ( -1.325 3.334 0.594) 3.636 6.712 ( -5.617 -2.340 -5.130) 7.959 6.712 ( -5.617 2.340 -5.130) 7.959 7.175 ( 4.038 -3.679 -0.885) 5.534 7.175 ( 4.038 3.679 -0.885) 5.534 7.502 ( 1.569 -5.810 2.556) 6.539 7.502 ( 1.569 5.810 2.556) 6.539 7.599 ( -1.993 -0.843 -0.224) 2.176 7.599 ( -1.993 0.843 -0.224) 2.176 8.157 ( -1.181 -1.851 -1.237) 2.520 8.157 ( -1.181 1.851 -1.237) 2.520 9.154 ( -2.227 -0.921 -0.022) 2.410 9.154 ( -2.227 0.921 -0.022) 2.410 9.783 ( 3.367 -3.946 -0.533) 5.215 9.783 ( 3.367 3.946 -0.533) 5.215 10.105 ( 3.327 -6.643 0.150) 7.431 10.105 ( 3.327 6.643 0.150) 7.431 10.817 ( 2.081 -4.528 2.284) 5.482 10.817 ( 2.081 4.528 2.284) 5.482 10.996 ( -0.565 -5.960 -1.817) 6.256 10.996 ( -0.565 5.960 -1.817) 6.256 ======================= Grid point 61 (34/156) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.705 -6.354 0.522) 6.414 1.695 ( 0.705 6.354 0.522) 6.414 2.053 ( -0.732 -2.421 -0.216) 2.539 2.053 ( -0.732 2.421 -0.216) 2.539 2.173 ( 0.297 -11.507 0.876) 11.544 2.173 ( 0.297 11.507 0.876) 11.544 2.342 ( 1.392 -9.441 -1.205) 9.619 2.342 ( 1.392 9.441 -1.205) 9.619 3.208 ( -1.507 -11.478 1.017) 11.621 3.208 ( -1.507 11.478 1.017) 11.621 3.337 ( -0.386 -10.084 -1.647) 10.225 3.337 ( -0.386 10.084 -1.647) 10.225 4.025 ( 1.651 -4.375 1.925) 5.057 4.025 ( 1.651 4.375 1.925) 5.057 4.250 ( -1.476 -6.108 -2.844) 6.898 4.250 ( -1.476 6.108 -2.844) 6.898 4.968 ( -0.192 -1.194 1.300) 1.776 4.968 ( -0.192 1.194 1.300) 1.776 5.224 ( 6.043 -3.277 -3.743) 7.827 5.224 ( 6.043 3.277 -3.743) 7.827 5.574 ( -2.918 -1.796 8.046) 8.745 5.574 ( -2.918 1.796 8.046) 8.745 5.983 ( -2.217 -5.984 -0.297) 6.388 5.983 ( -2.217 5.984 -0.297) 6.388 6.274 ( -1.109 -2.867 -1.441) 3.395 6.274 ( -1.109 2.867 -1.441) 3.395 6.487 ( -2.248 -2.543 -0.047) 3.394 6.487 ( -2.248 2.543 -0.047) 3.394 6.661 ( 2.107 -3.579 0.241) 4.161 6.661 ( 2.107 3.579 0.241) 4.161 7.208 ( 0.360 -2.878 -2.445) 3.794 7.208 ( 0.360 2.878 -2.445) 3.794 7.525 ( 0.368 -5.348 0.734) 5.411 7.525 ( 0.368 5.348 0.734) 5.411 7.607 ( 1.928 -2.951 0.777) 3.610 7.607 ( 1.928 2.951 0.777) 3.610 8.108 ( -2.165 -2.228 -1.371) 3.396 8.108 ( -2.165 2.228 -1.371) 3.396 9.109 ( -2.794 -0.660 -0.265) 2.883 9.109 ( -2.794 0.660 -0.265) 2.883 9.843 ( 3.891 -4.030 -0.604) 5.635 9.843 ( 3.891 4.030 -0.604) 5.635 10.152 ( 1.717 -5.160 0.144) 5.440 10.152 ( 1.717 5.160 0.144) 5.440 10.889 ( 2.448 -3.909 2.405) 5.202 10.889 ( 2.448 3.909 2.405) 5.202 10.967 ( 0.043 -4.728 -1.587) 4.988 10.967 ( 0.043 4.728 -1.587) 4.988 ======================= Grid point 63 (35/156) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.872 -4.030 0.816) 4.203 1.717 ( 0.872 4.030 0.816) 4.203 2.027 ( -0.944 -3.858 -1.309) 4.181 2.027 ( -0.944 3.858 -1.309) 4.181 2.194 ( 0.495 -7.312 1.372) 7.456 2.194 ( 0.495 7.312 1.372) 7.456 2.348 ( 0.599 -7.986 -0.992) 8.070 2.348 ( 0.599 7.986 -0.992) 8.070 3.190 ( -1.159 -12.519 0.326) 12.577 3.190 ( -1.159 12.519 0.326) 12.577 3.327 ( 0.370 -10.681 -0.644) 10.706 3.327 ( 0.370 10.681 -0.644) 10.706 4.072 ( 1.242 -5.742 1.664) 6.106 4.072 ( 1.242 5.742 1.664) 6.106 4.190 ( -1.967 -5.514 -2.178) 6.246 4.190 ( -1.967 5.514 -2.178) 6.246 4.972 ( -0.185 -1.374 0.508) 1.477 4.972 ( -0.185 1.374 0.508) 1.477 5.294 ( 4.479 -5.543 -2.277) 7.481 5.294 ( 4.479 5.543 -2.277) 7.481 5.595 ( -1.555 -0.785 4.412) 4.744 5.595 ( -1.555 0.785 4.412) 4.744 5.954 ( -1.466 -5.965 2.539) 6.646 5.954 ( -1.466 5.965 2.539) 6.646 6.233 ( -1.099 -0.836 -2.243) 2.634 6.233 ( -1.099 0.836 -2.243) 2.634 6.451 ( -1.142 -1.998 -1.147) 2.572 6.451 ( -1.142 1.998 -1.147) 2.572 6.728 ( 2.585 -3.067 2.742) 4.859 6.728 ( 2.585 3.067 2.742) 4.859 7.140 ( -3.360 -2.351 -4.131) 5.821 7.140 ( -3.360 2.351 -4.131) 5.821 7.554 ( 1.589 -3.097 0.745) 3.560 7.554 ( 1.589 3.097 0.745) 3.560 7.651 ( 2.366 -4.885 0.174) 5.430 7.651 ( 2.366 4.885 0.174) 5.430 8.072 ( -1.174 -2.758 0.042) 2.998 8.072 ( -1.174 2.758 0.042) 2.998 9.059 ( -2.198 -0.413 -0.548) 2.302 9.059 ( -2.198 0.413 -0.548) 2.302 9.899 ( 2.780 -4.232 -0.267) 5.070 9.899 ( 2.780 4.232 -0.267) 5.070 10.169 ( 0.380 -3.457 0.106) 3.480 10.169 ( 0.380 3.457 0.106) 3.480 10.889 ( -1.341 -4.335 -1.143) 4.679 10.889 ( -1.341 4.335 -1.143) 4.679 11.012 ( 3.028 -6.693 1.628) 7.525 11.012 ( 3.028 6.693 1.628) 7.525 ======================= Grid point 65 (36/156) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 0.000 -0.533 0.000) 0.533 1.730 ( 0.000 0.533 -0.000) 0.533 2.011 ( 0.000 -3.009 -0.000) 3.009 2.011 ( 0.000 3.009 0.000) 3.009 2.206 ( 0.000 -2.617 0.000) 2.617 2.206 ( 0.000 2.617 0.000) 2.617 2.348 ( 0.000 -7.354 -0.000) 7.354 2.348 ( 0.000 7.354 -0.000) 7.354 3.180 ( 0.000 -13.043 -0.000) 13.043 3.180 ( 0.000 13.043 0.000) 13.043 3.329 ( 0.000 -10.754 0.000) 10.754 3.329 ( 0.000 10.754 -0.000) 10.754 4.089 ( 0.000 -6.658 0.000) 6.658 4.089 ( 0.000 6.658 -0.000) 6.658 4.162 ( 0.000 -5.190 0.000) 5.190 4.162 ( 0.000 5.190 0.000) 5.190 4.973 ( 0.000 -1.614 0.000) 1.614 4.973 ( 0.000 1.614 0.000) 1.614 5.324 ( 0.000 -6.639 0.000) 6.639 5.324 ( 0.000 6.639 -0.000) 6.639 5.600 ( 0.000 -0.813 -0.000) 0.813 5.600 ( 0.000 0.813 0.000) 0.813 5.964 ( 0.000 -6.333 -0.000) 6.333 5.964 ( 0.000 6.333 0.000) 6.333 6.208 ( 0.000 -0.187 0.000) 0.187 6.208 ( 0.000 0.187 0.000) 0.187 6.434 ( 0.000 -1.666 -0.000) 1.666 6.434 ( 0.000 1.666 0.000) 1.666 6.769 ( 0.000 -2.993 0.000) 2.993 6.769 ( 0.000 2.993 -0.000) 2.993 7.078 ( 0.000 -1.170 -0.000) 1.170 7.078 ( 0.000 1.170 0.000) 1.170 7.573 ( 0.000 -0.684 -0.000) 0.684 7.573 ( 0.000 0.684 0.000) 0.684 7.678 ( 0.000 -0.635 0.000) 0.635 7.678 ( 0.000 0.635 -0.000) 0.635 8.063 ( 0.000 -1.641 -0.000) 1.641 8.063 ( 0.000 1.641 0.000) 1.641 9.035 ( 0.000 -0.164 0.000) 0.164 9.035 ( 0.000 0.164 0.000) 0.164 9.924 ( 0.000 -4.427 0.000) 4.427 9.924 ( 0.000 4.427 -0.000) 4.427 10.173 ( 0.000 -2.476 0.000) 2.476 10.173 ( 0.000 2.476 -0.000) 2.476 10.868 ( 0.000 -5.342 0.000) 5.342 10.868 ( 0.000 5.342 0.000) 5.342 11.050 ( 0.000 -7.794 -0.000) 7.794 11.050 ( 0.000 7.794 0.000) 7.794 ======================= Grid point 121 (37/156) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 5.986 0.000 20.631) 21.482 0.483 ( 4.750 0.000 22.271) 22.772 0.815 ( 1.561 0.000 36.416) 36.449 1.224 ( -2.411 0.000 -1.515) 2.848 1.657 ( -4.492 0.000 -11.770) 12.598 2.045 ( 0.222 0.000 6.477) 6.481 2.237 ( -1.025 0.000 -0.616) 1.196 2.417 ( -1.049 0.000 -7.625) 7.697 2.688 ( 1.977 0.000 -2.975) 3.573 2.862 ( 3.203 0.000 -5.664) 6.507 3.015 ( 1.669 0.000 -2.139) 2.713 3.112 ( -2.993 0.000 4.429) 5.346 3.211 ( -1.333 0.000 -7.148) 7.271 3.573 ( -0.867 0.000 -4.427) 4.511 3.646 ( 0.459 0.000 7.886) 7.900 3.759 ( 1.329 0.000 1.805) 2.241 4.979 ( 4.941 0.000 0.961) 5.034 5.160 ( -0.248 0.000 -4.767) 4.774 5.351 ( 2.536 0.000 -5.696) 6.236 5.512 ( -18.423 0.000 -8.303) 20.208 5.617 ( 1.370 0.000 -1.939) 2.374 5.745 ( -0.713 0.000 -2.259) 2.369 5.946 ( 6.413 0.000 3.169) 7.154 6.009 ( -6.817 0.000 8.895) 11.207 6.141 ( -23.973 0.000 8.347) 25.385 6.220 ( 2.017 0.000 4.219) 4.676 6.345 ( -11.115 0.000 -6.331) 12.792 6.545 ( -3.021 0.000 -2.393) 3.854 6.865 ( -1.581 0.000 7.192) 7.364 6.920 ( -1.664 0.000 2.178) 2.741 7.050 ( 8.057 0.000 5.130) 9.552 7.171 ( 30.439 0.000 1.027) 30.457 7.408 ( -6.173 0.000 -1.350) 6.318 7.452 ( -0.598 0.000 -5.745) 5.777 7.468 ( 1.408 0.000 -1.619) 2.146 7.529 ( 9.731 0.000 -4.201) 10.599 8.080 ( -16.401 0.000 3.102) 16.692 8.241 ( 1.253 0.000 -0.855) 1.517 9.087 ( -0.554 0.000 0.003) 0.554 9.106 ( 0.305 0.000 -0.505) 0.590 9.902 ( 0.485 0.000 0.068) 0.490 9.941 ( -0.076 0.000 -1.319) 1.321 10.061 ( -0.682 0.000 2.851) 2.931 10.244 ( 0.638 0.000 -1.619) 1.740 10.879 ( -0.196 0.000 0.648) 0.677 10.934 ( 0.301 0.000 -0.496) 0.580 11.013 ( 2.066 0.000 0.723) 2.188 11.092 ( 0.138 0.000 -0.922) 0.932 ======================= Grid point 122 (38/156) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 3.610 0.000 22.339) 22.629 0.797 ( 10.520 0.000 16.757) 19.786 1.127 ( -0.357 0.000 -2.487) 2.513 1.392 ( 20.109 0.000 23.576) 30.987 1.446 ( -4.924 0.000 -13.442) 14.315 2.069 ( -1.854 0.000 3.898) 4.317 2.175 ( -5.037 0.000 -1.689) 5.313 2.313 ( -1.595 0.000 -9.421) 9.555 2.707 ( 3.456 0.000 -3.110) 4.649 2.857 ( 2.058 0.000 -5.122) 5.520 3.038 ( 2.187 0.000 -1.084) 2.441 3.068 ( -2.123 0.000 -3.261) 3.891 3.167 ( -0.784 0.000 2.056) 2.201 3.522 ( -0.073 0.000 -4.914) 4.914 3.711 ( -0.514 0.000 6.061) 6.083 3.790 ( 0.599 0.000 1.059) 1.217 5.091 ( 5.220 0.000 0.471) 5.242 5.105 ( -0.520 0.000 -5.897) 5.920 5.240 ( -4.995 0.000 -4.627) 6.808 5.383 ( 5.315 0.000 0.445) 5.334 5.600 ( -5.133 0.000 2.482) 5.701 5.704 ( -0.963 0.000 -3.077) 3.225 5.952 ( -9.527 0.000 6.890) 11.758 5.999 ( -5.020 0.000 6.508) 8.219 6.140 ( -5.031 0.000 -1.001) 5.130 6.158 ( 10.481 0.000 6.679) 12.429 6.299 ( 2.570 0.000 4.383) 5.081 6.457 ( -5.467 0.000 -0.267) 5.474 6.875 ( -4.179 0.000 4.159) 5.896 6.919 ( -0.762 0.000 1.188) 1.411 7.202 ( 2.210 0.000 4.138) 4.691 7.235 ( -8.710 0.000 -3.116) 9.251 7.343 ( -3.049 0.000 -6.336) 7.032 7.405 ( 6.045 0.000 -2.802) 6.663 7.447 ( -0.581 0.000 -3.151) 3.204 7.699 ( 10.567 0.000 -8.410) 13.505 8.028 ( 2.891 0.000 8.683) 9.152 8.300 ( 5.181 0.000 -0.001) 5.181 9.068 ( -1.387 0.000 -0.155) 1.396 9.104 ( -0.153 0.000 -0.245) 0.289 9.913 ( 0.397 0.000 0.209) 0.449 9.914 ( -1.390 0.000 -1.227) 1.854 10.060 ( -2.237 0.000 2.640) 3.460 10.220 ( -1.528 0.000 -1.748) 2.321 10.889 ( 0.630 0.000 0.786) 1.008 10.941 ( 0.705 0.000 -0.504) 0.866 11.050 ( 1.602 0.000 -1.038) 1.909 11.085 ( 0.234 0.000 -1.153) 1.177 ======================= Grid point 123 (39/156) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 1.025 0.000 16.262) 16.294 1.080 ( 1.666 0.000 -3.137) 3.552 1.100 ( 8.574 0.000 11.616) 14.438 1.309 ( 3.138 0.000 -9.915) 10.399 1.854 ( 4.743 0.000 4.188) 6.327 2.072 ( -1.937 0.000 3.122) 3.674 2.088 ( 2.831 0.000 6.654) 7.231 2.208 ( 0.595 0.000 -9.109) 9.128 2.750 ( 4.681 0.000 -3.171) 5.654 2.849 ( 2.152 0.000 -4.171) 4.693 3.019 ( 0.562 0.000 -3.720) 3.762 3.058 ( 0.758 0.000 -0.540) 0.931 3.187 ( -1.016 0.000 5.150) 5.249 3.479 ( 0.303 0.000 -4.901) 4.911 3.736 ( -1.685 0.000 3.595) 3.970 3.796 ( -0.263 0.000 -0.367) 0.451 5.038 ( -0.001 0.000 -6.261) 6.261 5.132 ( 1.322 0.000 -3.171) 3.435 5.170 ( 0.148 0.000 -4.698) 4.700 5.535 ( -5.504 0.000 6.976) 8.886 5.543 ( 6.425 0.000 7.580) 9.937 5.656 ( -0.721 0.000 -3.533) 3.606 5.852 ( -4.767 0.000 2.912) 5.586 6.033 ( -0.137 0.000 7.320) 7.321 6.112 ( -0.744 0.000 2.401) 2.513 6.322 ( -1.742 0.000 0.018) 1.742 6.357 ( 2.906 0.000 -0.810) 3.016 6.415 ( -1.745 0.000 11.020) 11.157 6.775 ( -7.650 0.000 -2.812) 8.151 6.882 ( -3.094 0.000 -0.125) 3.097 7.104 ( -3.690 0.000 -0.681) 3.752 7.163 ( -7.753 0.000 -0.255) 7.757 7.272 ( 0.715 0.000 -4.608) 4.664 7.462 ( 4.119 0.000 -3.281) 5.266 7.498 ( 9.739 0.000 0.831) 9.775 7.713 ( 0.612 0.000 -7.238) 7.264 8.233 ( 10.054 0.000 5.413) 11.419 8.382 ( 3.371 0.000 -0.465) 3.403 9.041 ( -1.640 0.000 0.172) 1.649 9.095 ( -0.792 0.000 -0.049) 0.794 9.882 ( -1.139 0.000 -0.289) 1.175 9.915 ( -0.242 0.000 -0.045) 0.246 10.036 ( -3.025 0.000 2.379) 3.849 10.161 ( -3.325 0.000 -1.823) 3.792 10.917 ( 1.473 0.000 1.121) 1.851 10.947 ( 0.514 0.000 -0.672) 0.846 11.057 ( 0.398 0.000 -0.676) 0.784 11.081 ( 0.517 0.000 -1.158) 1.268 ======================= Grid point 124 (40/156) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 1.139 0.000 -3.904) 4.067 1.220 ( 0.936 0.000 14.911) 14.940 1.299 ( 5.695 0.000 6.057) 8.314 1.375 ( 10.021 0.000 -4.465) 10.970 1.653 ( -14.318 0.000 -6.168) 15.590 2.011 ( -6.821 0.000 1.243) 6.933 2.226 ( 8.007 0.000 -4.896) 9.385 2.353 ( 9.961 0.000 5.058) 11.171 2.811 ( 5.534 0.000 -3.059) 6.323 2.862 ( 3.438 0.000 -3.595) 4.974 3.018 ( 1.561 0.000 -1.177) 1.955 3.046 ( -1.867 0.000 -0.505) 1.934 3.226 ( -1.007 0.000 7.467) 7.534 3.447 ( 0.968 0.000 -4.145) 4.257 3.718 ( -2.428 0.000 0.620) 2.506 3.780 ( -0.550 0.000 -1.286) 1.399 5.005 ( 1.202 0.000 -4.212) 4.380 5.099 ( -1.024 0.000 -4.053) 4.180 5.129 ( -0.152 0.000 -4.156) 4.159 5.557 ( -1.061 0.000 9.043) 9.105 5.619 ( 1.988 0.000 -3.518) 4.041 5.674 ( -0.377 0.000 4.051) 4.068 5.845 ( -0.599 0.000 4.803) 4.840 6.106 ( 0.984 0.000 6.668) 6.740 6.140 ( 1.353 0.000 2.569) 2.903 6.210 ( -8.394 0.000 -2.774) 8.841 6.353 ( -1.468 0.000 1.797) 2.320 6.493 ( -1.639 0.000 8.715) 8.868 6.612 ( -3.345 0.000 -6.676) 7.467 6.878 ( 0.481 0.000 3.496) 3.529 7.010 ( -7.420 0.000 -1.867) 7.652 7.066 ( -1.541 0.000 0.828) 1.750 7.238 ( 0.006 0.000 -4.160) 4.160 7.496 ( 3.494 0.000 -3.879) 5.220 7.607 ( -4.985 0.000 -6.387) 8.102 7.778 ( 17.288 0.000 4.695) 17.914 8.388 ( -1.086 0.000 -2.737) 2.944 8.430 ( 8.231 0.000 2.259) 8.535 9.016 ( -1.586 0.000 0.540) 1.675 9.071 ( -1.878 0.000 -0.163) 1.885 9.873 ( -0.265 0.000 0.607) 0.662 9.907 ( -0.341 0.000 -0.350) 0.489 10.001 ( -2.969 0.000 1.805) 3.475 10.077 ( -4.096 0.000 -1.773) 4.464 10.946 ( 0.284 0.000 -0.751) 0.803 10.954 ( 1.344 0.000 1.114) 1.746 11.057 ( 0.084 0.000 0.038) 0.092 11.084 ( 0.868 0.000 -0.615) 1.064 ======================= Grid point 125 (41/156) ======================= q-point: ( 0.40 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 2.124 0.000 -0.366) 2.156 1.322 ( -1.401 0.000 4.276) 4.499 1.383 ( 0.482 0.000 0.265) 0.550 1.403 ( -9.555 0.000 6.243) 11.414 1.561 ( 13.008 0.000 0.178) 13.009 1.885 ( -8.666 0.000 0.823) 8.705 2.332 ( 6.867 0.000 -3.961) 7.927 2.469 ( 3.265 0.000 -3.534) 4.811 2.873 ( 3.888 0.000 -4.322) 5.813 2.903 ( 4.654 0.000 -3.200) 5.648 2.996 ( -2.250 0.000 0.807) 2.390 3.031 ( -0.331 0.000 0.640) 0.721 3.284 ( -1.343 0.000 8.926) 9.027 3.444 ( 2.028 0.000 -2.277) 3.049 3.670 ( -2.189 0.000 -1.901) 2.900 3.763 ( 0.201 0.000 -1.267) 1.283 4.969 ( -0.862 0.000 -4.995) 5.069 5.036 ( -0.818 0.000 -5.074) 5.139 5.118 ( 2.342 0.000 -1.602) 2.838 5.607 ( -2.649 0.000 -6.262) 6.799 5.618 ( -1.737 0.000 7.634) 7.829 5.677 ( 4.768 0.000 -0.327) 4.779 5.885 ( -1.352 0.000 5.246) 5.418 6.031 ( -7.662 0.000 -2.349) 8.014 6.171 ( 0.012 0.000 3.499) 3.499 6.204 ( 1.818 0.000 5.048) 5.366 6.343 ( -4.606 0.000 2.083) 5.055 6.487 ( 0.841 0.000 3.152) 3.263 6.627 ( 1.972 0.000 4.645) 5.046 6.901 ( -3.416 0.000 -0.537) 3.458 6.909 ( -1.167 0.000 2.465) 2.728 7.053 ( -0.804 0.000 0.529) 0.963 7.204 ( 0.646 0.000 -3.774) 3.829 7.461 ( -2.146 0.000 -6.239) 6.597 7.527 ( 2.115 0.000 -1.407) 2.540 8.116 ( 14.552 0.000 5.438) 15.535 8.297 ( -4.986 0.000 -5.517) 7.436 8.554 ( 4.326 0.000 0.196) 4.331 8.994 ( -1.446 0.000 0.549) 1.547 9.030 ( -2.191 0.000 -0.312) 2.213 9.875 ( -0.326 0.000 0.691) 0.764 9.904 ( 0.678 0.000 -0.536) 0.864 9.968 ( -2.220 0.000 0.795) 2.358 9.996 ( -3.156 0.000 -1.374) 3.442 10.946 ( 0.344 0.000 -0.366) 0.502 10.976 ( 0.342 0.000 0.255) 0.427 11.061 ( 0.060 0.000 0.556) 0.559 11.098 ( 0.714 0.000 0.171) 0.735 ======================= Grid point 126 (42/156) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 1.930 0.000 4.006) 4.446 1.280 ( -4.477 0.000 4.354) 6.245 1.339 ( -3.626 0.000 -3.558) 5.080 1.458 ( 3.137 0.000 10.860) 11.304 1.719 ( -9.769 0.000 -1.146) 9.836 1.802 ( 11.718 0.000 3.863) 12.338 2.348 ( -0.305 0.000 -5.631) 5.639 2.428 ( -1.786 0.000 -7.770) 7.973 2.831 ( -1.415 0.000 -5.029) 5.224 2.954 ( 3.910 0.000 -2.918) 4.879 3.008 ( -2.871 0.000 0.814) 2.984 3.036 ( 3.328 0.000 1.987) 3.876 3.330 ( -2.686 0.000 8.521) 8.935 3.472 ( 2.490 0.000 -0.299) 2.508 3.616 ( -1.105 0.000 -3.416) 3.591 3.767 ( 1.333 0.000 -0.904) 1.610 4.909 ( 0.408 0.000 -5.407) 5.423 4.994 ( 2.086 0.000 -6.008) 6.360 5.165 ( 3.561 0.000 -0.270) 3.571 5.485 ( -1.824 0.000 -9.087) 9.269 5.623 ( -4.873 0.000 5.850) 7.614 5.790 ( 4.330 0.000 1.563) 4.604 5.863 ( -5.820 0.000 3.601) 6.844 5.942 ( 1.321 0.000 -0.549) 1.431 6.154 ( -2.902 0.000 -0.515) 2.947 6.268 ( -3.000 0.000 -1.397) 3.309 6.272 ( -1.341 0.000 7.340) 7.462 6.573 ( 0.937 0.000 8.608) 8.659 6.706 ( 1.520 0.000 6.394) 6.572 6.869 ( -3.973 0.000 -0.934) 4.081 6.878 ( 1.050 0.000 0.274) 1.085 7.041 ( -0.949 0.000 -0.031) 0.950 7.204 ( 2.816 0.000 -3.094) 4.184 7.435 ( 3.381 0.000 -4.113) 5.324 7.587 ( 5.122 0.000 3.261) 6.072 8.107 ( -9.765 0.000 -7.804) 12.500 8.354 ( 7.222 0.000 4.132) 8.321 8.572 ( -1.595 0.000 -1.842) 2.437 8.982 ( -0.285 0.000 0.513) 0.587 9.009 ( 0.353 0.000 -0.060) 0.358 9.870 ( -0.827 0.000 0.373) 0.907 9.914 ( 0.202 0.000 -0.571) 0.606 9.941 ( -0.956 0.000 -0.255) 0.990 9.963 ( 1.290 0.000 -0.620) 1.432 10.952 ( 0.418 0.000 0.072) 0.424 10.972 ( -0.613 0.000 -0.427) 0.747 11.070 ( 0.198 0.000 1.004) 1.023 11.107 ( 0.107 0.000 0.289) 0.308 ======================= Grid point 127 (43/156) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -5.968 0.000 8.100) 10.061 1.191 ( -8.317 0.000 -6.054) 10.288 1.219 ( -5.029 0.000 5.353) 7.345 1.541 ( -7.437 0.000 -2.429) 7.824 1.698 ( 12.447 0.000 8.259) 14.938 2.032 ( 8.179 0.000 6.691) 10.567 2.250 ( -2.766 0.000 -6.458) 7.025 2.253 ( -9.962 0.000 -9.504) 13.769 2.774 ( -0.273 0.000 -4.262) 4.271 2.925 ( -3.764 0.000 -1.016) 3.899 3.018 ( 3.318 0.000 -0.871) 3.431 3.095 ( 1.515 0.000 0.841) 1.733 3.351 ( -2.832 0.000 7.224) 7.759 3.521 ( 2.527 0.000 1.132) 2.769 3.565 ( -0.966 0.000 -4.041) 4.155 3.783 ( 1.325 0.000 -1.316) 1.868 4.908 ( 4.849 0.000 -4.246) 6.445 4.997 ( 4.557 0.000 -6.675) 8.082 5.231 ( 3.949 0.000 0.629) 3.999 5.390 ( 0.381 0.000 -9.021) 9.029 5.547 ( -8.658 0.000 3.678) 9.407 5.789 ( -5.078 0.000 4.743) 6.948 5.809 ( -2.017 0.000 3.572) 4.102 6.062 ( 7.713 0.000 -2.029) 7.976 6.097 ( -2.357 0.000 -0.680) 2.454 6.231 ( 0.534 0.000 -0.229) 0.581 6.282 ( -5.276 0.000 8.121) 9.684 6.646 ( -2.078 0.000 8.613) 8.860 6.776 ( -3.989 0.000 -0.047) 3.989 6.809 ( 3.435 0.000 5.118) 6.164 6.942 ( 4.968 0.000 0.510) 4.994 7.023 ( -0.434 0.000 -0.709) 0.832 7.235 ( 3.996 0.000 -3.273) 5.166 7.444 ( 2.704 0.000 -5.970) 6.554 7.767 ( 7.543 0.000 8.430) 11.312 7.826 ( -12.831 0.000 -8.343) 15.305 8.454 ( 1.155 0.000 2.497) 2.751 8.463 ( -7.814 0.000 -4.173) 8.859 8.994 ( 0.995 0.000 0.510) 1.118 9.034 ( 2.060 0.000 -0.202) 2.070 9.858 ( -0.474 0.000 0.111) 0.487 9.907 ( 0.008 0.000 -0.241) 0.242 9.936 ( 0.718 0.000 -0.353) 0.800 10.018 ( 4.674 0.000 -0.421) 4.693 10.950 ( -1.294 0.000 -0.530) 1.398 10.959 ( 0.134 0.000 0.163) 0.211 11.088 ( 0.496 0.000 1.407) 1.492 11.107 ( -0.192 0.000 0.039) 0.196 ======================= Grid point 128 (44/156) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -13.190 0.000 -7.400) 15.124 0.968 ( -17.453 0.000 7.934) 19.172 1.246 ( -0.301 0.000 4.770) 4.779 1.472 ( 1.905 0.000 0.450) 1.957 1.876 ( -21.072 0.000 -7.837) 22.482 1.981 ( 9.366 0.000 3.598) 10.034 2.086 ( -5.522 0.000 0.416) 5.537 2.275 ( 8.661 0.000 0.505) 8.676 2.737 ( -0.024 0.000 -3.572) 3.572 2.865 ( -1.057 0.000 -2.153) 2.399 3.069 ( 2.188 0.000 1.123) 2.460 3.104 ( -0.477 0.000 -0.587) 0.756 3.367 ( -1.462 0.000 3.860) 4.128 3.511 ( -1.535 0.000 -2.111) 2.610 3.576 ( 2.023 0.000 1.988) 2.836 3.780 ( 0.219 0.000 -2.662) 2.671 4.998 ( 8.786 0.000 -3.031) 9.294 5.010 ( 3.438 0.000 -7.181) 7.962 5.326 ( 4.949 0.000 4.146) 6.456 5.338 ( 2.380 0.000 -7.228) 7.610 5.431 ( -6.390 0.000 2.493) 6.859 5.803 ( -1.098 0.000 10.076) 10.136 5.812 ( -2.136 0.000 3.933) 4.476 6.068 ( -0.575 0.000 0.599) 0.830 6.081 ( 0.723 0.000 -4.806) 4.860 6.245 ( -7.180 0.000 7.822) 10.617 6.252 ( -1.207 0.000 -1.589) 1.996 6.654 ( -2.262 0.000 3.520) 4.184 6.758 ( -0.477 0.000 3.444) 3.477 6.918 ( 1.546 0.000 6.532) 6.712 7.011 ( 2.981 0.000 -3.043) 4.260 7.040 ( 4.281 0.000 -0.677) 4.334 7.287 ( 5.139 0.000 -2.888) 5.895 7.429 ( 2.139 0.000 -6.399) 6.747 7.569 ( -7.760 0.000 -4.466) 8.953 7.956 ( 4.219 0.000 8.736) 9.701 8.225 ( -12.987 0.000 -7.015) 14.760 8.449 ( -3.127 0.000 0.649) 3.193 9.025 ( 1.777 0.000 0.900) 1.992 9.065 ( 1.795 0.000 -0.466) 1.854 9.867 ( 1.319 0.000 0.407) 1.381 9.909 ( 0.249 0.000 -0.209) 0.325 9.958 ( 1.784 0.000 0.287) 1.807 10.101 ( 5.128 0.000 -0.659) 5.170 10.921 ( -1.509 0.000 -0.255) 1.531 10.958 ( -0.317 0.000 0.132) 0.344 11.104 ( -0.109 0.000 -0.188) 0.217 11.111 ( 0.648 0.000 1.213) 1.375 ======================= Grid point 129 (45/156) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -16.598 0.000 -4.745) 17.262 0.711 ( -19.713 0.000 8.286) 21.384 1.246 ( -11.357 0.000 3.717) 11.950 1.345 ( -23.202 0.000 -3.420) 23.453 1.612 ( 10.087 0.000 4.008) 10.854 1.985 ( -4.391 0.000 -2.175) 4.900 2.152 ( 5.897 0.000 1.764) 6.155 2.415 ( 5.560 0.000 0.950) 5.641 2.707 ( 0.103 0.000 -2.983) 2.984 2.847 ( 1.699 0.000 -3.567) 3.951 3.074 ( -1.346 0.000 -2.110) 2.503 3.106 ( -0.334 0.000 3.083) 3.101 3.346 ( -0.708 0.000 -4.721) 4.773 3.503 ( -0.965 0.000 5.869) 5.948 3.624 ( 0.932 0.000 2.342) 2.521 3.744 ( -0.491 0.000 -3.938) 3.968 4.977 ( 0.231 0.000 -6.155) 6.159 5.131 ( 7.911 0.000 -2.074) 8.179 5.340 ( 4.328 0.000 -5.820) 7.253 5.393 ( -0.311 0.000 3.876) 3.888 5.505 ( 8.362 0.000 10.411) 13.354 5.787 ( -3.089 0.000 1.047) 3.262 5.914 ( -1.269 0.000 15.883) 15.934 6.056 ( 0.117 0.000 -5.507) 5.508 6.117 ( 3.319 0.000 5.057) 6.049 6.147 ( -5.744 0.000 -0.486) 5.764 6.185 ( -4.828 0.000 5.918) 7.637 6.642 ( -0.831 0.000 -1.033) 1.326 6.783 ( -1.638 0.000 6.371) 6.578 6.957 ( -2.089 0.000 3.567) 4.134 6.973 ( -1.182 0.000 -8.577) 8.658 7.166 ( 8.829 0.000 1.374) 8.935 7.354 ( 5.667 0.000 -3.673) 6.753 7.392 ( -0.310 0.000 -7.679) 7.685 7.505 ( 0.865 0.000 0.960) 1.292 7.823 ( -16.886 0.000 -10.591) 19.933 8.153 ( 3.329 0.000 9.832) 10.380 8.369 ( -5.390 0.000 -0.722) 5.438 9.064 ( 1.425 0.000 0.953) 1.714 9.088 ( 1.302 0.000 -0.509) 1.398 9.906 ( 2.389 0.000 0.373) 2.418 9.907 ( -0.135 0.000 -0.446) 0.466 9.998 ( 1.816 0.000 1.254) 2.207 10.177 ( 4.308 0.000 -1.049) 4.433 10.896 ( -1.220 0.000 0.168) 1.231 10.952 ( -0.540 0.000 0.236) 0.589 11.101 ( 0.033 0.000 -0.407) 0.408 11.124 ( 0.247 0.000 -0.756) 0.796 ======================= Grid point 130 (46/156) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( -12.379 0.000 9.843) 15.816 0.448 ( -18.839 0.000 9.481) 21.090 0.787 ( -29.102 0.000 20.716) 35.723 1.271 ( -2.390 0.000 1.652) 2.905 1.774 ( 2.854 0.000 -4.706) 5.504 1.944 ( 1.909 0.000 4.740) 5.110 2.228 ( 2.163 0.000 0.294) 2.183 2.468 ( 1.340 0.000 -2.860) 3.159 2.689 ( 0.917 0.000 -2.790) 2.937 2.851 ( 3.132 0.000 -4.767) 5.704 3.030 ( -0.608 0.000 -2.917) 2.980 3.116 ( -2.305 0.000 4.431) 4.994 3.281 ( 0.071 0.000 -6.669) 6.669 3.565 ( -0.039 0.000 8.422) 8.423 3.627 ( -1.383 0.000 -1.783) 2.257 3.724 ( 1.252 0.000 -0.380) 1.308 4.937 ( 0.906 0.000 -2.880) 3.019 5.190 ( 1.681 0.000 -3.311) 3.713 5.359 ( 3.558 0.000 -6.256) 7.197 5.496 ( 7.058 0.000 1.779) 7.279 5.756 ( -0.377 0.000 0.104) 0.391 5.767 ( 4.930 0.000 0.291) 4.939 5.935 ( -3.789 0.000 -4.603) 5.962 6.054 ( -6.547 0.000 9.490) 11.529 6.152 ( 1.543 0.000 3.388) 3.723 6.239 ( 19.723 0.000 34.688) 39.903 6.369 ( 11.273 0.000 9.146) 14.516 6.606 ( -1.095 0.000 -3.092) 3.280 6.794 ( -10.394 0.000 -18.491) 21.212 6.821 ( -1.540 0.000 7.815) 7.965 6.938 ( -2.775 0.000 2.664) 3.847 7.111 ( -18.660 0.000 -13.882) 23.258 7.339 ( 8.428 0.000 1.518) 8.564 7.422 ( 5.694 0.000 -4.061) 6.994 7.522 ( -1.734 0.000 0.282) 1.756 7.539 ( -3.837 0.000 -4.497) 5.911 8.275 ( -3.705 0.000 -1.101) 3.865 8.289 ( 1.028 0.000 2.722) 2.910 9.087 ( 0.379 0.000 0.452) 0.590 9.101 ( 0.806 0.000 -0.555) 0.979 9.900 ( -0.089 0.000 -0.378) 0.389 9.941 ( 1.356 0.000 -0.734) 1.542 10.037 ( 0.571 0.000 2.264) 2.335 10.228 ( 2.700 0.000 -1.393) 3.038 10.882 ( -0.731 0.000 0.507) 0.889 10.946 ( -0.480 0.000 0.250) 0.541 11.070 ( -4.222 0.000 -5.865) 7.227 11.097 ( 0.100 0.000 -0.659) 0.666 ======================= Grid point 131 (47/156) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 1.196 13.400 15.480) 20.509 0.711 ( -3.358 14.372 19.210) 24.225 1.123 ( 6.959 30.306 20.709) 37.359 1.403 ( -2.417 16.335 -2.161) 16.653 1.693 ( -3.387 4.237 -10.640) 11.943 2.050 ( -0.096 0.811 6.481) 6.533 2.195 ( -0.934 -3.726 -2.883) 4.803 2.368 ( -1.044 -4.108 -5.153) 6.672 2.793 ( 1.830 10.686 -1.996) 11.023 2.956 ( 3.145 6.525 -3.500) 8.044 3.072 ( 0.488 4.821 -0.863) 4.922 3.147 ( -2.115 5.379 3.013) 6.518 3.276 ( -0.213 4.479 -6.939) 8.262 3.528 ( -0.912 -3.171 -0.521) 3.341 3.667 ( 0.898 2.931 3.123) 4.376 3.813 ( 0.565 5.522 0.334) 5.561 4.973 ( 4.794 -0.636 1.246) 4.994 5.113 ( -0.015 -4.644 -4.224) 6.278 5.316 ( 2.237 -3.266 -6.337) 7.472 5.438 ( -16.271 -7.035 -4.121) 18.199 5.577 ( 2.910 -1.826 0.913) 3.555 5.760 ( -2.634 0.263 -2.538) 3.667 5.903 ( 3.414 -2.045 4.106) 5.718 6.036 ( -8.498 -1.462 14.442) 16.820 6.105 ( -2.712 1.374 9.627) 10.095 6.194 ( -3.834 -1.908 -1.968) 4.713 6.343 ( -5.667 2.160 3.969) 7.248 6.623 ( -1.168 5.744 -4.153) 7.183 6.792 ( 10.569 -10.296 9.714) 17.665 6.869 ( 2.105 -4.899 7.677) 9.347 6.984 ( -0.722 1.757 2.542) 3.173 7.124 ( 9.696 5.065 3.983) 11.642 7.362 ( -4.745 -3.196 -2.657) 6.308 7.418 ( -0.235 -4.320 -2.083) 4.802 7.475 ( 1.950 1.564 -2.606) 3.611 7.518 ( 5.267 0.849 -2.740) 5.997 8.011 ( -5.294 1.826 4.487) 7.176 8.216 ( 0.501 -3.655 -1.245) 3.894 9.108 ( -0.291 1.807 -0.032) 1.830 9.128 ( 0.341 1.757 -0.351) 1.824 9.952 ( -0.654 -0.125 -0.816) 1.053 10.029 ( -0.122 -2.244 2.108) 3.081 10.102 ( -0.767 7.823 -7.044) 10.555 10.198 ( 0.533 -4.624 -1.478) 4.883 10.949 ( 0.878 -1.285 -0.189) 1.567 10.969 ( -0.802 0.016 0.195) 0.825 11.045 ( -0.238 -4.266 -0.768) 4.341 11.113 ( -0.271 11.133 -10.581) 15.362 ======================= Grid point 132 (48/156) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 1.676 5.444 19.889) 20.688 0.964 ( 10.920 13.658 14.754) 22.879 1.318 ( -0.411 16.217 -5.334) 17.077 1.514 ( -2.519 9.828 -7.123) 12.397 1.553 ( 14.170 15.364 15.148) 25.813 2.064 ( -2.308 0.114 3.038) 3.817 2.132 ( -3.168 -3.827 -2.542) 5.581 2.286 ( -2.219 -2.175 -6.682) 7.369 2.817 ( 2.945 10.741 -2.133) 11.340 2.968 ( 2.292 9.210 -4.201) 10.379 3.070 ( -1.158 1.228 1.551) 2.292 3.136 ( -1.250 6.101 -0.906) 6.293 3.221 ( 0.803 7.315 -3.233) 8.038 3.509 ( 0.689 -2.278 -2.840) 3.705 3.714 ( 0.464 1.524 4.276) 4.563 3.817 ( -0.122 3.558 -0.755) 3.640 5.065 ( 0.090 -3.852 -4.777) 6.138 5.086 ( 4.624 -0.633 0.003) 4.667 5.219 ( -4.589 -1.832 -4.686) 6.810 5.340 ( 4.892 -4.135 -0.227) 6.409 5.600 ( -2.792 -0.156 3.174) 4.230 5.684 ( -1.752 -1.204 -2.945) 3.632 5.939 ( -9.136 -1.863 6.752) 11.512 6.049 ( -3.913 3.339 2.477) 5.709 6.081 ( 1.019 -1.789 3.946) 4.451 6.193 ( 5.261 2.857 7.141) 9.318 6.367 ( 0.163 5.180 7.400) 9.034 6.514 ( -5.573 5.290 -3.329) 8.374 6.864 ( -3.249 -1.477 4.760) 5.949 6.919 ( -1.889 0.445 -1.589) 2.509 7.072 ( 0.052 -12.389 3.945) 13.002 7.236 ( 1.289 -0.630 -1.959) 2.428 7.314 ( -0.901 -2.682 -3.315) 4.358 7.405 ( 3.426 1.654 -0.359) 3.822 7.451 ( -0.801 0.752 -2.917) 3.117 7.648 ( 10.453 -2.423 -4.655) 11.696 8.017 ( 2.095 1.470 6.274) 6.776 8.254 ( 4.083 -4.269 -0.575) 5.935 9.090 ( -1.497 1.910 -0.199) 2.434 9.130 ( 0.068 1.860 -0.295) 1.885 9.924 ( -1.669 0.542 -0.481) 1.819 10.024 ( -1.067 4.585 -3.051) 5.610 10.031 ( -2.510 -0.209 1.785) 3.088 10.184 ( -0.699 -3.325 -1.492) 3.711 10.934 ( -1.202 1.495 -0.449) 1.970 10.977 ( 0.839 2.719 0.440) 2.879 11.032 ( 0.436 -1.938 -1.053) 2.248 11.060 ( 0.475 -0.529 -3.374) 3.448 ======================= Grid point 133 (49/156) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 2.057 2.511 16.769) 17.080 1.264 ( 9.400 13.222 10.256) 19.193 1.284 ( 2.384 17.582 -4.279) 18.251 1.385 ( 0.552 9.717 -8.462) 12.897 1.909 ( 1.414 6.203 1.723) 6.592 2.050 ( 0.581 -1.172 2.211) 2.569 2.083 ( 1.630 -0.414 7.074) 7.271 2.189 ( 0.842 -1.517 -7.824) 8.014 2.853 ( 3.495 9.946 -2.372) 10.806 2.967 ( 2.239 10.648 -3.973) 11.584 3.057 ( -2.428 -1.828 1.802) 3.534 3.092 ( -0.357 6.117 -3.236) 6.930 3.244 ( 1.379 7.509 1.866) 7.859 3.502 ( 1.926 1.026 -3.499) 4.124 3.754 ( -0.435 1.887 3.752) 4.222 3.793 ( -0.898 1.708 -2.307) 3.008 5.007 ( 0.147 -2.910 -5.736) 6.434 5.125 ( 1.245 -0.946 -3.314) 3.664 5.153 ( 0.677 -1.482 -4.237) 4.539 5.446 ( 1.041 -5.699 5.692) 8.122 5.595 ( 0.794 2.387 4.437) 5.100 5.657 ( 0.115 0.086 0.002) 0.144 5.836 ( -4.836 -1.779 2.263) 5.628 6.062 ( -1.579 2.507 7.275) 7.855 6.120 ( -0.129 2.167 3.418) 4.049 6.324 ( -0.561 -0.478 3.711) 3.783 6.405 ( -1.934 3.908 -2.834) 5.200 6.447 ( -0.704 3.210 9.290) 9.855 6.778 ( -6.467 0.310 -2.479) 6.932 6.845 ( -3.580 -3.088 -1.591) 4.988 7.055 ( -2.211 -3.200 0.738) 3.959 7.227 ( -4.207 3.746 0.202) 5.637 7.270 ( 0.651 0.049 -5.278) 5.318 7.400 ( 3.707 -3.678 -1.672) 5.483 7.525 ( 7.815 0.981 0.258) 7.881 7.703 ( 2.314 -0.633 -6.775) 7.187 8.193 ( 9.126 -2.787 5.867) 11.202 8.312 ( 2.543 -5.928 -1.086) 6.541 9.058 ( -1.924 1.683 -0.112) 2.558 9.124 ( -0.587 2.095 -0.158) 2.181 9.894 ( -1.465 1.197 0.337) 1.921 9.983 ( -0.987 4.699 -1.376) 4.995 10.006 ( -2.509 -2.925 1.719) 4.220 10.145 ( -2.250 -0.899 -1.348) 2.772 10.922 ( 0.100 1.003 -0.233) 1.035 10.998 ( 0.744 1.130 1.196) 1.805 11.036 ( 0.737 0.605 -1.252) 1.574 11.045 ( 0.389 -3.439 -1.231) 3.673 ======================= Grid point 134 (50/156) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 1.232 7.141 9.056) 11.598 1.292 ( 0.910 15.434 1.610) 15.545 1.426 ( 8.766 5.068 -3.080) 10.584 1.465 ( 4.780 13.807 5.362) 15.564 1.714 ( -12.271 6.573 -5.149) 14.843 2.009 ( -5.433 0.466 1.490) 5.653 2.176 ( 6.113 -3.246 -3.668) 7.833 2.339 ( 9.883 -1.882 2.800) 10.443 2.899 ( 4.349 8.529 -2.333) 9.854 2.976 ( 2.282 8.593 -3.522) 9.562 3.013 ( -3.095 -1.798 0.720) 3.651 3.083 ( 0.676 5.305 -0.400) 5.363 3.279 ( -0.165 5.761 2.844) 6.427 3.520 ( 3.245 5.913 -1.982) 7.030 3.735 ( -1.728 1.512 -3.074) 3.837 3.776 ( -0.887 1.920 1.568) 2.633 4.983 ( 1.830 -1.880 -3.843) 4.653 5.091 ( -0.712 -1.294 -4.028) 4.290 5.125 ( -0.136 -0.050 -3.813) 3.816 5.489 ( 0.239 -5.214 3.814) 6.464 5.632 ( 1.851 0.645 -0.484) 2.019 5.703 ( -0.931 2.119 5.091) 5.593 5.817 ( -1.099 -2.584 3.714) 4.655 6.109 ( -0.288 0.136 6.159) 6.168 6.149 ( 0.373 1.868 1.663) 2.529 6.247 ( -6.847 2.866 0.507) 7.440 6.369 ( -1.609 1.370 1.655) 2.684 6.496 ( -3.194 0.163 7.647) 8.289 6.648 ( -2.834 3.283 -6.034) 7.431 6.824 ( 0.460 -3.773 2.801) 4.721 7.016 ( -2.666 1.212 0.181) 2.934 7.139 ( -3.341 5.513 -1.279) 6.572 7.230 ( -0.463 -0.746 -3.764) 3.865 7.465 ( 4.420 -2.896 -3.003) 6.078 7.614 ( -3.409 0.689 -4.938) 6.040 7.762 ( 14.566 -1.589 2.761) 14.910 8.310 ( -0.735 -6.443 -2.716) 7.031 8.384 ( 7.390 -4.549 2.931) 9.159 9.024 ( -1.806 1.174 0.027) 2.154 9.103 ( -1.709 2.086 -0.182) 2.703 9.881 ( -0.750 1.631 0.908) 2.011 9.957 ( -0.995 1.185 -0.914) 1.797 9.979 ( -1.928 -0.792 1.192) 2.401 10.088 ( -2.772 2.025 -1.064) 3.594 10.925 ( 0.330 0.197 -0.221) 0.443 11.019 ( 0.249 -3.354 0.491) 3.399 11.036 ( 0.832 -1.209 -0.216) 1.483 11.051 ( 0.716 2.835 -0.169) 2.929 ======================= Grid point 135 (51/156) ======================= q-point: ( 0.40 0.10 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.965 17.610 1.907) 17.739 1.367 ( 0.182 3.997 10.050) 10.817 1.422 ( -7.796 4.810 -2.512) 9.499 1.524 ( 1.567 10.990 -0.412) 11.109 1.656 ( 8.471 10.166 1.937) 13.374 1.908 ( -7.308 3.301 0.733) 8.053 2.260 ( 5.541 -4.746 -3.116) 7.933 2.457 ( 4.317 -2.631 -3.468) 6.131 2.923 ( -1.261 -0.003 -3.179) 3.419 2.979 ( 2.258 3.509 1.968) 4.614 3.012 ( 3.012 8.940 -2.837) 9.851 3.090 ( -0.307 5.352 0.504) 5.385 3.293 ( -0.909 2.520 3.059) 4.067 3.571 ( 2.898 11.221 -0.023) 11.589 3.677 ( -0.327 -1.214 -4.148) 4.335 3.765 ( -1.477 3.161 0.643) 3.548 4.964 ( -0.352 -0.338 -4.497) 4.523 5.044 ( -0.154 0.352 -4.607) 4.623 5.101 ( 1.594 -1.356 -1.923) 2.842 5.510 ( 0.029 -5.479 -2.180) 5.897 5.669 ( -0.069 0.231 1.043) 1.071 5.695 ( 0.641 2.517 1.445) 2.972 5.830 ( -2.206 -4.020 3.699) 5.891 6.061 ( -5.347 1.511 -1.698) 5.810 6.194 ( -0.059 1.536 7.268) 7.429 6.219 ( 0.320 3.028 1.910) 3.594 6.364 ( -4.025 1.399 3.092) 5.265 6.497 ( -0.249 0.602 4.795) 4.839 6.603 ( -0.552 -1.472 2.742) 3.161 6.867 ( 0.815 -1.089 1.627) 2.121 6.981 ( -1.590 4.928 0.531) 5.206 7.095 ( -1.051 3.718 -0.777) 3.941 7.193 ( 0.350 -0.695 -3.295) 3.385 7.469 ( 0.223 -0.312 -7.215) 7.225 7.534 ( 0.572 1.651 0.160) 1.755 8.042 ( 11.017 -7.842 3.729) 14.027 8.245 ( -2.263 -3.555 -3.966) 5.787 8.493 ( 3.151 -5.876 0.211) 6.671 9.002 ( -0.619 1.364 0.433) 1.559 9.063 ( -2.330 2.014 -0.081) 3.081 9.879 ( -0.628 1.636 0.977) 2.006 9.936 ( -0.188 -1.493 -0.863) 1.734 9.959 ( -1.418 0.732 0.492) 1.670 10.037 ( -1.782 5.423 -0.995) 5.794 10.929 ( 0.288 0.037 0.076) 0.300 11.018 ( -0.014 -2.833 -0.532) 2.882 11.049 ( 0.491 -4.126 -0.185) 4.159 11.068 ( 0.480 4.936 1.120) 5.085 ======================= Grid point 136 (52/156) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -2.482 12.777 5.348) 14.072 1.333 ( -2.642 9.188 3.411) 10.151 1.477 ( 2.602 6.382 3.758) 7.850 1.507 ( -0.315 10.806 2.027) 10.999 1.758 ( -8.604 3.967 -0.746) 9.504 1.856 ( 9.404 6.470 3.176) 11.848 2.267 ( -0.976 -4.835 -4.638) 6.770 2.441 ( -0.643 -1.510 -6.885) 7.078 2.869 ( -0.903 1.924 -2.788) 3.506 3.019 ( -0.299 0.976 1.050) 1.465 3.055 ( 3.271 8.095 -1.444) 8.850 3.082 ( -0.076 6.563 0.489) 6.582 3.315 ( -0.048 1.443 3.641) 3.917 3.581 ( -0.434 6.113 -2.278) 6.538 3.671 ( 1.752 6.048 -2.039) 6.618 3.751 ( 0.154 1.090 0.556) 1.233 4.913 ( 0.376 0.446 -4.830) 4.865 5.008 ( 1.981 1.345 -5.865) 6.335 5.140 ( 3.317 -2.455 -0.358) 4.142 5.446 ( -0.390 -3.273 -8.440) 9.061 5.638 ( -5.790 1.001 4.779) 7.574 5.774 ( 2.781 -1.497 1.223) 3.387 5.813 ( -2.084 -3.592 3.263) 5.281 5.984 ( -0.573 2.584 -0.989) 2.826 6.176 ( -4.114 2.721 0.451) 4.953 6.269 ( -0.423 0.727 1.623) 1.828 6.306 ( -3.630 2.515 4.978) 6.654 6.561 ( -0.790 -1.483 8.743) 8.903 6.680 ( 3.740 -1.133 6.774) 7.820 6.858 ( -2.532 -0.701 -0.398) 2.658 6.959 ( -0.724 6.246 -0.628) 6.319 7.081 ( -0.043 4.057 -0.665) 4.111 7.193 ( 2.668 -0.941 -2.747) 3.944 7.433 ( 2.407 -0.561 -5.581) 6.103 7.603 ( 4.934 1.645 4.091) 6.617 8.046 ( -7.404 -6.561 -5.692) 11.413 8.287 ( 5.463 -5.060 2.563) 7.875 8.491 ( -2.087 -7.207 -2.395) 7.876 9.010 ( 0.071 2.337 0.997) 2.542 9.040 ( 0.425 2.164 0.228) 2.217 9.877 ( -0.657 1.832 0.963) 2.172 9.933 ( -0.557 -0.691 -0.129) 0.897 9.945 ( 0.831 -1.327 -0.419) 1.621 10.011 ( 0.197 7.523 -1.409) 7.656 10.937 ( 0.302 0.090 0.596) 0.675 11.008 ( -0.355 -1.249 -1.158) 1.740 11.057 ( 0.340 -2.613 0.571) 2.696 11.079 ( -0.199 1.490 0.670) 1.646 ======================= Grid point 137 (53/156) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -12.000 4.024 7.591) 14.759 1.373 ( -2.159 14.771 0.094) 14.928 1.382 ( -3.098 18.217 -0.210) 18.479 1.582 ( -6.747 4.597 -1.424) 8.287 1.727 ( 11.004 3.408 6.743) 13.348 2.044 ( 5.691 1.310 6.102) 8.446 2.170 ( -3.380 -2.796 -5.820) 7.288 2.302 ( -7.134 0.356 -8.372) 11.005 2.841 ( 0.481 5.790 -3.155) 6.612 2.990 ( -3.218 2.615 0.543) 4.182 3.072 ( 2.248 6.672 -2.019) 7.325 3.123 ( 1.742 3.994 1.808) 4.718 3.352 ( 0.153 2.311 4.087) 4.698 3.539 ( -0.656 1.262 -4.930) 5.131 3.665 ( -0.702 6.804 0.130) 6.841 3.784 ( 2.280 3.241 -0.027) 3.963 4.911 ( 4.142 0.340 -3.756) 5.602 5.007 ( 4.100 1.005 -6.541) 7.785 5.201 ( 3.687 -2.987 0.538) 4.776 5.372 ( 1.532 -1.556 -9.376) 9.627 5.544 ( -8.974 -0.219 3.649) 9.690 5.768 ( -4.998 -2.604 2.199) 6.050 5.803 ( -1.088 -0.448 5.275) 5.405 6.061 ( 6.540 -0.271 -2.455) 6.990 6.108 ( -3.166 1.770 0.487) 3.660 6.244 ( -0.760 1.856 1.497) 2.503 6.323 ( -3.455 3.304 7.425) 8.831 6.627 ( -1.114 -1.802 8.870) 9.119 6.773 ( -2.512 -1.021 -2.831) 3.921 6.822 ( 1.916 1.608 8.320) 8.688 6.966 ( 1.689 2.376 -0.682) 2.994 7.080 ( 1.560 5.280 -1.761) 5.781 7.229 ( 4.322 -0.272 -2.525) 5.012 7.418 ( 1.724 -2.397 -6.187) 6.855 7.742 ( -0.090 -2.106 3.444) 4.038 7.836 ( -4.805 0.577 -2.987) 5.687 8.358 ( -2.584 -8.019 -0.772) 8.460 8.392 ( -3.136 -6.406 -1.457) 7.280 9.018 ( 0.409 2.279 0.701) 2.419 9.073 ( 2.171 2.765 0.131) 3.518 9.870 ( -0.633 1.198 0.516) 1.450 9.930 ( 0.462 0.150 -0.053) 0.489 9.963 ( 1.055 1.800 -0.057) 2.087 10.030 ( 3.471 3.545 -1.144) 5.091 10.945 ( -0.315 0.223 0.657) 0.762 10.988 ( -0.399 0.294 -1.163) 1.264 11.074 ( 0.237 -0.252 0.926) 0.988 11.075 ( -0.192 -2.667 0.423) 2.707 ======================= Grid point 138 (54/156) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -15.475 6.575 6.389) 17.987 1.175 ( -11.623 17.229 -3.301) 21.043 1.433 ( -0.495 16.953 3.752) 17.370 1.524 ( 2.413 6.746 1.188) 7.262 1.906 ( -16.865 3.805 -7.461) 18.830 1.978 ( 7.790 0.075 3.948) 8.734 2.086 ( -5.853 -0.061 -0.562) 5.880 2.250 ( 7.228 -2.007 0.293) 7.507 2.823 ( 0.521 7.875 -2.846) 8.389 2.944 ( -1.230 5.384 -1.319) 5.679 3.095 ( 1.125 3.176 -0.165) 3.374 3.160 ( 1.050 5.796 0.779) 5.941 3.397 ( 0.174 0.332 4.985) 4.999 3.470 ( -0.742 2.085 -6.450) 6.820 3.662 ( -0.598 3.481 1.404) 3.801 3.809 ( 1.207 6.002 -1.331) 6.266 4.980 ( 6.108 -1.608 -3.635) 7.288 5.017 ( 3.962 0.650 -6.086) 7.291 5.285 ( 4.077 -4.045 2.819) 6.398 5.339 ( 3.959 -0.062 -7.163) 8.184 5.430 ( -6.301 -0.016 2.887) 6.931 5.735 ( -1.995 -4.710 5.064) 7.198 5.833 ( -2.538 0.513 6.155) 6.678 6.069 ( 0.472 0.418 0.580) 0.856 6.103 ( 0.343 1.941 -1.451) 2.448 6.250 ( -2.961 1.722 2.389) 4.176 6.306 ( -5.163 3.758 4.035) 7.554 6.658 ( -2.253 0.134 3.906) 4.511 6.750 ( 0.922 -0.979 2.965) 3.256 6.919 ( 1.204 0.187 5.370) 5.507 6.973 ( 0.034 -1.427 -1.876) 2.358 7.112 ( 4.363 4.412 -2.834) 6.822 7.299 ( 5.637 1.559 -1.917) 6.155 7.382 ( 0.704 -3.550 -5.739) 6.785 7.570 ( -7.136 -0.281 -3.738) 8.061 7.939 ( 3.164 -2.400 7.305) 8.315 8.147 ( -12.466 -4.289 -7.368) 15.102 8.387 ( -2.216 -6.347 1.310) 6.849 9.041 ( 1.520 1.998 0.433) 2.547 9.105 ( 1.471 2.635 -0.190) 3.024 9.880 ( 1.305 0.243 0.871) 1.587 9.938 ( 0.625 0.390 -0.304) 0.797 9.990 ( 2.162 4.821 0.219) 5.288 10.095 ( 4.352 -0.181 -0.657) 4.405 10.934 ( -0.903 0.399 -0.129) 0.996 10.981 ( 0.071 1.542 0.024) 1.544 11.060 ( -0.782 -2.906 -0.317) 3.026 11.104 ( 1.282 -0.978 1.332) 2.092 ======================= Grid point 139 (55/156) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -14.919 12.220 8.260) 20.980 0.934 ( -13.988 19.712 0.881) 24.186 1.422 ( -26.400 13.531 -5.867) 30.241 1.450 ( -0.913 15.544 3.143) 15.885 1.668 ( 8.775 6.184 3.408) 11.263 1.977 ( -3.906 -0.472 -1.851) 4.348 2.141 ( 5.205 -0.812 1.508) 5.479 2.364 ( 4.375 -4.462 0.807) 6.301 2.805 ( 0.235 9.268 -2.414) 9.580 2.926 ( 1.010 5.498 -2.564) 6.150 3.099 ( -0.306 3.267 -0.606) 3.337 3.172 ( -0.643 6.842 1.087) 6.957 3.383 ( -0.163 -3.824 -6.617) 7.644 3.474 ( 0.828 5.868 5.711) 8.230 3.659 ( -1.047 1.116 0.553) 1.627 3.806 ( 0.355 7.757 -1.712) 7.951 4.966 ( 0.041 -1.187 -5.767) 5.888 5.092 ( 5.892 -3.157 -2.260) 7.056 5.335 ( 3.675 -1.143 -5.172) 6.447 5.406 ( 1.879 0.698 1.103) 2.288 5.439 ( 4.539 -5.548 10.532) 12.740 5.761 ( -1.051 -2.211 2.033) 3.182 5.851 ( -0.655 -4.014 9.204) 10.063 6.068 ( -3.789 0.767 0.863) 3.961 6.116 ( -1.484 0.108 -1.007) 1.797 6.208 ( 0.835 4.570 4.832) 6.703 6.230 ( -6.246 4.304 4.490) 8.815 6.643 ( -1.381 -0.023 -0.137) 1.388 6.806 ( 0.388 1.463 5.550) 5.753 6.884 ( -4.411 -6.429 -7.554) 10.856 6.976 ( -1.137 1.706 3.376) 3.949 7.192 ( 6.983 1.610 -0.738) 7.204 7.332 ( -1.802 -3.562 -5.490) 6.788 7.375 ( 5.227 2.286 -3.246) 6.563 7.492 ( -0.925 -1.828 0.322) 2.074 7.798 ( -15.512 -3.750 -8.858) 18.252 8.048 ( -0.198 -1.457 6.954) 7.107 8.332 ( -4.331 -5.100 0.210) 6.694 9.073 ( 1.715 1.610 0.200) 2.361 9.122 ( 0.748 2.243 -0.256) 2.378 9.928 ( 2.673 0.618 1.202) 2.995 9.949 ( 1.020 -0.839 -0.142) 1.329 10.043 ( 3.886 6.404 -0.098) 7.492 10.158 ( 3.382 -2.097 -0.807) 4.060 10.924 ( 0.060 0.527 -0.248) 0.585 10.985 ( -0.110 2.251 0.582) 2.328 11.045 ( -0.384 -4.622 -0.532) 4.668 11.144 ( 2.721 2.069 -0.093) 3.420 ======================= Grid point 140 (56/156) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -12.315 17.167 7.252) 22.337 0.731 ( -14.980 15.278 12.274) 24.667 1.014 ( -14.240 30.459 8.286) 34.629 1.448 ( -1.876 16.398 1.274) 16.554 1.799 ( 1.911 3.034 -5.424) 6.502 1.951 ( 2.410 1.134 5.358) 5.983 2.205 ( 1.702 -1.940 -0.497) 2.628 2.406 ( 1.062 -5.507 -2.157) 6.009 2.791 ( 0.659 10.189 -2.090) 10.422 2.931 ( 2.610 5.374 -3.015) 6.692 3.081 ( -0.135 4.984 -1.874) 5.326 3.162 ( -2.254 6.066 2.560) 6.959 3.329 ( 0.834 -0.116 -6.550) 6.604 3.530 ( -0.584 1.639 4.431) 4.760 3.643 ( -0.320 1.479 0.045) 1.514 3.802 ( 0.430 7.469 -0.317) 7.488 4.929 ( 0.957 -0.882 -2.557) 2.869 5.136 ( 1.724 -5.165 -2.937) 6.187 5.339 ( 2.712 -1.868 -6.650) 7.421 5.491 ( 5.553 -1.361 0.500) 5.739 5.637 ( 0.830 -13.501 10.036) 16.843 5.765 ( 0.930 -0.433 1.813) 2.083 5.910 ( -1.989 -1.756 -1.563) 3.080 6.006 ( -4.839 -6.244 18.813) 20.404 6.064 ( -4.940 -0.491 5.906) 7.715 6.193 ( -1.759 2.473 3.010) 4.274 6.355 ( 3.437 0.515 7.050) 7.860 6.609 ( -1.214 -0.209 -2.508) 2.794 6.673 ( -6.451 -3.118 -6.507) 9.678 6.861 ( -1.865 3.034 6.247) 7.190 6.975 ( -0.721 3.662 2.201) 4.333 7.132 ( -10.611 3.714 -5.961) 12.725 7.330 ( 7.458 -1.663 0.226) 7.644 7.434 ( 4.624 1.167 -4.042) 6.252 7.472 ( -2.520 -4.428 -0.352) 5.107 7.552 ( -4.526 0.847 -3.913) 6.043 8.064 ( -4.741 -2.513 5.689) 7.820 8.258 ( -3.554 -4.648 -0.659) 5.888 9.100 ( 1.113 1.546 -0.003) 1.905 9.127 ( 0.179 2.047 -0.282) 2.074 9.958 ( 0.819 0.400 -0.808) 1.218 9.992 ( 1.916 -2.201 2.176) 3.640 10.116 ( 5.203 6.963 -3.667) 9.434 10.193 ( 1.786 -3.939 -1.381) 4.540 10.931 ( 1.038 -0.538 -0.403) 1.237 10.982 ( -0.850 -0.075 0.483) 0.981 11.044 ( 0.722 -4.492 -0.507) 4.578 11.184 ( 4.494 8.697 -7.890) 12.574 ======================= Grid point 141 (57/156) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -4.839 15.515 11.880) 20.131 1.027 ( 0.936 18.524 10.821) 21.473 1.666 ( -1.781 9.804 -5.915) 11.588 1.778 ( 4.323 31.332 7.406) 32.484 1.877 ( -0.801 14.019 -4.855) 14.857 2.074 ( 0.712 0.514 0.461) 0.991 2.170 ( -2.706 6.328 0.366) 6.892 2.304 ( -0.984 -1.590 -0.779) 2.026 2.929 ( 0.308 -6.868 2.340) 7.263 3.058 ( 1.308 14.199 0.230) 14.261 3.178 ( 0.364 -10.839 -1.046) 10.895 3.268 ( 0.975 13.431 -2.604) 13.716 3.346 ( 1.353 10.715 0.541) 10.814 3.603 ( -1.727 10.009 -5.369) 11.489 3.758 ( 1.164 6.350 0.500) 6.475 3.957 ( 0.698 8.703 -3.523) 9.415 4.954 ( 3.967 -1.557 1.222) 4.434 5.010 ( 1.683 -4.935 -3.205) 6.121 5.247 ( 1.338 -3.529 -7.042) 7.990 5.314 ( -7.437 -5.018 0.625) 8.993 5.569 ( 0.537 0.663 1.324) 1.575 5.751 ( -2.984 -0.645 -2.579) 3.997 5.886 ( 2.857 0.214 3.141) 4.251 6.036 ( -5.977 -1.501 7.427) 9.650 6.075 ( 1.412 -0.326 7.118) 7.264 6.226 ( -3.688 3.087 7.152) 8.619 6.443 ( -2.165 7.519 6.623) 10.251 6.609 ( 5.387 -5.339 4.804) 8.978 6.754 ( 3.521 3.992 -1.712) 5.592 6.837 ( -6.009 0.513 4.667) 7.626 7.058 ( -4.335 4.035 -3.521) 6.890 7.219 ( 1.603 2.867 -2.745) 4.280 7.286 ( -0.243 -4.795 -1.958) 5.185 7.363 ( 3.992 0.758 0.857) 4.153 7.500 ( 3.319 1.247 -1.120) 3.718 7.558 ( 1.730 3.070 -2.000) 4.052 8.095 ( -1.671 4.790 0.570) 5.105 8.143 ( -0.033 -2.851 0.200) 2.858 9.141 ( 0.003 1.399 -0.032) 1.399 9.165 ( -0.049 1.800 -0.520) 1.874 9.892 ( -0.797 -4.556 1.181) 4.774 10.001 ( -0.873 -2.352 -0.321) 2.529 10.081 ( 1.549 -7.005 -0.435) 7.187 10.189 ( -0.470 2.319 -4.415) 5.009 10.860 ( 0.790 -5.326 1.393) 5.562 10.936 ( 0.239 -6.181 -0.077) 6.186 11.004 ( 1.172 1.383 -0.176) 1.821 11.220 ( -2.320 1.052 -7.306) 7.737 ======================= Grid point 142 (58/156) ======================= q-point: ( 0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.369 11.744 13.678) 18.031 1.232 ( 9.228 14.093 11.818) 20.578 1.561 ( -0.683 9.393 -9.392) 13.300 1.818 ( 0.044 17.973 -5.987) 18.944 1.967 ( 6.332 18.702 9.039) 21.716 2.079 ( 0.825 3.589 -0.789) 3.766 2.111 ( -4.592 6.969 1.623) 8.502 2.259 ( -2.569 0.919 -2.320) 3.581 2.950 ( -0.749 -7.409 2.548) 7.870 3.068 ( -0.156 11.004 0.200) 11.007 3.177 ( 0.595 -3.232 -1.410) 3.576 3.249 ( -0.075 12.536 -3.091) 12.911 3.405 ( 3.965 10.699 1.170) 11.470 3.533 ( -0.432 9.072 -5.078) 10.405 3.782 ( 1.091 4.833 0.942) 5.044 3.938 ( 1.174 8.350 -4.600) 9.605 4.978 ( 0.814 -4.519 -4.290) 6.284 5.067 ( 4.159 -1.473 -0.137) 4.415 5.183 ( -4.297 -1.674 -3.705) 5.915 5.250 ( 4.163 -4.496 -0.938) 6.199 5.594 ( -0.441 -0.204 3.954) 3.983 5.679 ( -1.343 0.742 -3.351) 3.686 5.891 ( -8.339 -2.421 3.674) 9.428 6.043 ( 3.823 -0.403 4.849) 6.188 6.147 ( -0.328 4.081 6.042) 7.299 6.261 ( -0.895 4.081 8.671) 9.625 6.472 ( -2.483 5.207 8.522) 10.291 6.616 ( -6.743 3.922 -3.532) 8.563 6.825 ( -0.790 -2.559 4.457) 5.200 6.859 ( 4.899 -6.235 4.884) 9.313 6.932 ( -3.995 -0.008 -5.830) 7.067 7.207 ( 2.755 -2.169 -3.602) 5.027 7.272 ( 0.471 -1.008 -1.848) 2.157 7.454 ( 4.256 2.697 0.294) 5.047 7.490 ( -2.916 3.218 -2.297) 4.912 7.635 ( 7.801 0.595 -2.445) 8.196 8.079 ( 0.118 3.903 1.289) 4.112 8.175 ( 2.442 -3.303 0.492) 4.137 9.127 ( -1.361 1.800 -0.308) 2.278 9.161 ( 0.102 1.306 -0.245) 1.333 9.891 ( -0.637 -3.435 1.496) 3.801 9.964 ( -2.300 -4.479 -0.394) 5.050 10.085 ( -1.356 -2.497 -1.888) 3.412 10.152 ( 1.291 1.839 -2.091) 3.070 10.887 ( 0.565 -4.387 1.128) 4.565 10.940 ( 0.261 -5.405 -0.078) 5.412 11.041 ( 2.277 2.363 1.194) 3.492 11.095 ( -3.451 1.477 -6.261) 7.301 ======================= Grid point 143 (59/156) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 1.910 8.749 12.975) 15.765 1.463 ( 5.312 8.863 1.361) 10.422 1.549 ( 7.474 10.813 1.290) 13.208 1.775 ( 0.777 23.115 -4.636) 23.588 2.012 ( -4.997 3.092 -3.548) 6.864 2.065 ( -1.966 -0.448 6.119) 6.443 2.153 ( 2.272 5.265 -2.672) 6.326 2.214 ( 3.074 13.493 1.789) 13.953 2.938 ( -3.120 -8.398 1.637) 9.107 3.061 ( -0.613 5.107 0.269) 5.150 3.170 ( 0.448 4.521 -2.065) 4.990 3.224 ( 1.139 12.797 -3.238) 13.249 3.469 ( 1.937 14.538 -2.878) 14.947 3.519 ( 2.842 3.614 0.716) 4.653 3.818 ( 1.498 4.587 1.931) 5.197 3.910 ( 0.810 9.478 -5.409) 10.943 4.944 ( 1.005 -3.206 -4.821) 5.876 5.095 ( 0.319 -1.967 -2.741) 3.389 5.123 ( 1.565 -1.570 -3.752) 4.358 5.336 ( 2.543 -5.273 3.196) 6.670 5.639 ( 1.160 2.296 0.612) 2.644 5.657 ( 0.680 -0.057 3.961) 4.020 5.803 ( -4.194 -1.034 2.326) 4.906 6.118 ( -3.697 3.470 9.646) 10.898 6.179 ( 0.634 2.117 0.989) 2.421 6.322 ( -1.257 1.217 5.760) 6.020 6.470 ( -5.181 2.871 -1.475) 6.104 6.503 ( -3.357 1.579 6.537) 7.517 6.767 ( -4.284 -2.258 1.790) 5.163 6.817 ( -2.934 1.011 -5.867) 6.638 6.994 ( 3.785 -2.513 3.099) 5.500 7.246 ( 1.542 -0.759 -2.228) 2.814 7.281 ( 3.566 -0.021 -2.634) 4.433 7.388 ( -3.812 3.047 -2.828) 5.640 7.541 ( 5.882 1.007 0.613) 5.999 7.699 ( 3.533 0.109 -5.788) 6.781 8.152 ( 4.719 -1.838 3.692) 6.267 8.208 ( 1.217 -3.966 -0.527) 4.182 9.095 ( -1.886 2.002 -0.285) 2.765 9.154 ( -0.770 1.016 -0.381) 1.331 9.901 ( -0.107 -1.328 2.218) 2.587 9.920 ( -2.215 -4.516 -0.411) 5.046 10.040 ( -1.267 0.434 -1.450) 1.974 10.161 ( 0.696 2.294 -1.141) 2.654 10.900 ( 0.357 -3.824 0.332) 3.855 10.941 ( 0.059 -5.150 -0.568) 5.181 11.002 ( -1.587 0.843 -3.342) 3.795 11.103 ( 2.378 2.969 2.041) 4.317 ======================= Grid point 144 (60/156) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 1.743 6.809 12.036) 13.938 1.537 ( 5.140 7.106 -2.168) 9.034 1.686 ( 1.811 9.585 1.996) 9.956 1.764 ( 0.218 25.709 -0.597) 25.717 1.857 ( -5.474 4.428 -3.534) 7.878 2.095 ( -0.849 8.454 5.622) 10.188 2.154 ( 3.955 2.164 -4.358) 6.270 2.316 ( 4.988 2.758 -0.282) 5.706 2.876 ( -4.784 -8.871 0.762) 10.108 3.066 ( 0.764 1.579 1.168) 2.108 3.157 ( 0.158 7.471 -1.928) 7.718 3.231 ( 2.744 12.213 -3.119) 12.900 3.447 ( -0.048 10.904 -3.357) 11.409 3.598 ( 3.373 4.710 2.000) 6.129 3.862 ( 1.106 6.650 0.292) 6.748 3.867 ( 0.394 10.755 -4.229) 11.564 4.945 ( 3.018 -1.941 -3.084) 4.732 5.057 ( -1.209 -1.827 -2.863) 3.605 5.121 ( 1.092 -0.594 -3.599) 3.808 5.389 ( 2.188 -4.793 0.150) 5.271 5.651 ( 1.343 1.595 -0.371) 2.118 5.718 ( -0.919 -1.296 4.256) 4.543 5.783 ( -2.072 0.112 4.303) 4.777 6.113 ( -2.974 0.141 3.251) 4.409 6.198 ( -0.617 2.681 3.331) 4.320 6.314 ( -3.816 4.125 4.367) 7.117 6.390 ( -2.253 0.541 0.398) 2.351 6.495 ( -4.977 -0.274 7.629) 9.113 6.694 ( -4.238 0.386 -4.943) 6.523 6.792 ( 2.349 1.020 3.293) 4.172 7.056 ( 1.601 2.742 1.245) 3.411 7.199 ( -1.848 -0.751 -5.926) 6.252 7.258 ( -1.452 5.107 -1.280) 5.462 7.403 ( 4.409 -3.010 -1.871) 5.657 7.631 ( -0.233 0.830 -1.686) 1.894 7.725 ( 8.593 -1.940 -1.799) 8.991 8.190 ( -0.635 -5.513 -0.497) 5.571 8.288 ( 5.267 -4.775 2.045) 7.398 9.057 ( -2.060 1.994 -0.132) 2.870 9.126 ( -1.965 0.204 -0.575) 2.057 9.882 ( -1.316 -4.716 -0.799) 4.961 9.925 ( 0.198 1.918 2.250) 2.963 10.013 ( -1.387 1.748 0.252) 2.246 10.157 ( 0.513 3.947 -1.575) 4.280 10.910 ( 0.745 -4.142 -0.453) 4.233 10.933 ( 0.021 -5.613 -0.636) 5.648 10.970 ( -0.481 0.277 -0.682) 0.880 11.156 ( 1.616 4.381 1.463) 4.894 ======================= Grid point 145 (61/156) ======================= q-point: ( 0.40 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.212 5.350 11.562) 12.741 1.520 ( -6.014 8.269 -0.277) 10.229 1.660 ( 1.467 10.630 -2.838) 11.100 1.795 ( 3.174 21.530 0.807) 21.778 1.833 ( -0.140 6.415 1.247) 6.536 2.115 ( -1.074 18.626 1.365) 18.707 2.200 ( 3.865 -1.020 -2.594) 4.765 2.375 ( 3.261 -5.046 -2.696) 6.585 2.807 ( -3.489 -8.738 1.651) 9.552 3.094 ( -0.466 -3.049 0.319) 3.100 3.152 ( 1.790 10.706 0.028) 10.855 3.255 ( 3.019 11.133 -2.994) 11.917 3.420 ( -0.017 10.587 -1.795) 10.738 3.646 ( 0.910 1.854 -1.466) 2.532 3.832 ( 1.508 13.145 -2.685) 13.501 3.887 ( 0.286 8.139 -0.307) 8.150 4.960 ( 0.345 -0.110 -2.778) 2.802 5.026 ( 1.731 -2.029 -2.428) 3.607 5.093 ( -0.032 0.632 -3.659) 3.713 5.413 ( 2.491 -4.293 -4.700) 6.836 5.665 ( 0.252 -0.573 0.125) 0.638 5.717 ( -0.225 -0.493 0.417) 0.683 5.782 ( -4.026 -0.155 5.687) 6.969 6.074 ( -2.519 0.182 -1.025) 2.726 6.228 ( -0.289 1.717 5.973) 6.222 6.303 ( -2.643 4.609 3.769) 6.514 6.377 ( -2.805 0.171 3.108) 4.190 6.493 ( -3.027 -0.727 8.176) 8.749 6.607 ( -0.860 1.846 -0.080) 2.038 6.854 ( 0.149 -0.441 2.552) 2.594 7.095 ( 1.706 6.567 -0.218) 6.789 7.126 ( 0.429 -1.136 -4.303) 4.471 7.231 ( -0.678 5.090 -1.229) 5.280 7.429 ( 2.078 -3.313 -5.078) 6.410 7.595 ( 0.139 3.796 -0.480) 3.828 7.863 ( 4.859 -9.118 0.600) 10.349 8.186 ( 1.266 -2.822 -0.688) 3.168 8.361 ( 1.617 -7.127 -0.252) 7.312 9.035 ( -0.426 1.615 0.705) 1.813 9.082 ( -2.294 -0.132 -0.145) 2.302 9.864 ( 0.163 -3.549 -0.703) 3.621 9.942 ( -0.392 3.020 1.747) 3.511 9.989 ( -1.951 2.603 0.629) 3.314 10.154 ( 0.987 5.325 -1.999) 5.773 10.916 ( 0.683 -5.426 -0.796) 5.526 10.939 ( 0.551 -4.277 0.161) 4.315 10.962 ( -0.316 -0.304 0.766) 0.883 11.181 ( 0.395 5.038 -0.125) 5.055 ======================= Grid point 146 (62/156) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -8.045 6.024 5.846) 11.627 1.561 ( 4.492 7.410 8.457) 12.109 1.665 ( 0.275 10.434 -1.220) 10.508 1.806 ( -1.236 17.761 -0.824) 17.823 1.862 ( 0.639 9.835 1.268) 9.937 2.096 ( -1.112 17.069 0.064) 17.106 2.203 ( -0.022 -1.383 -3.880) 4.119 2.377 ( 0.461 -3.571 -4.091) 5.450 2.804 ( 0.462 -7.891 3.267) 8.553 3.048 ( -2.856 -0.424 -1.444) 3.228 3.211 ( 2.394 8.255 1.762) 8.774 3.274 ( 1.832 10.778 -2.535) 11.222 3.429 ( 2.349 10.253 -0.077) 10.519 3.602 ( -1.509 1.503 -5.132) 5.557 3.858 ( -0.908 9.357 -2.175) 9.650 3.883 ( 3.346 11.463 0.469) 11.951 4.926 ( -0.025 0.827 -3.009) 3.121 5.039 ( 2.422 1.421 -5.121) 5.840 5.086 ( 2.148 -2.386 -0.702) 3.287 5.386 ( 2.196 -2.632 -9.177) 9.797 5.647 ( -5.339 -0.236 3.420) 6.345 5.741 ( 1.339 -1.983 -0.077) 2.394 5.753 ( -2.990 -1.858 4.593) 5.787 6.017 ( -0.747 0.836 -2.331) 2.586 6.258 ( -5.556 5.003 2.602) 7.916 6.289 ( 0.615 1.446 2.716) 3.138 6.349 ( -3.030 1.334 5.949) 6.808 6.531 ( -1.794 -1.009 8.845) 9.082 6.673 ( 3.685 -0.022 5.216) 6.387 6.845 ( -2.117 -0.661 0.888) 2.389 7.063 ( -0.811 3.122 -3.477) 4.743 7.174 ( 4.050 3.900 -0.083) 5.623 7.207 ( -0.258 4.840 -2.250) 5.344 7.406 ( 1.620 -2.029 -5.971) 6.511 7.645 ( 3.190 2.271 3.668) 5.365 7.885 ( -1.460 -8.505 -1.409) 8.743 8.204 ( 0.559 -3.812 -0.255) 3.861 8.341 ( -1.747 -7.663 -2.799) 8.343 9.046 ( -0.426 0.881 1.190) 1.541 9.068 ( 1.327 0.726 0.875) 1.748 9.878 ( 1.587 -2.555 0.240) 3.017 9.946 ( -1.850 3.221 2.007) 4.222 9.955 ( -0.816 2.229 -0.861) 2.524 10.151 ( 0.891 6.156 -2.291) 6.629 10.922 ( 0.616 -4.607 -0.291) 4.657 10.937 ( -0.508 -4.213 -0.317) 4.255 10.986 ( 1.087 -0.620 2.456) 2.756 11.166 ( -0.994 4.494 -1.768) 4.930 ======================= Grid point 147 (63/156) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -10.007 7.300 7.266) 14.360 1.602 ( -4.973 8.148 -1.609) 9.680 1.721 ( 1.100 7.789 4.000) 8.825 1.803 ( 1.331 21.459 2.143) 21.607 1.862 ( 2.954 10.766 -0.478) 11.174 2.072 ( -4.024 1.868 2.937) 5.320 2.183 ( 3.303 3.791 -4.070) 6.469 2.307 ( -4.205 3.872 -4.621) 7.350 2.860 ( 1.893 -6.985 2.920) 7.804 2.991 ( -1.911 0.394 -1.196) 2.289 3.245 ( 0.005 8.582 0.640) 8.606 3.278 ( 1.586 10.768 -1.892) 11.048 3.482 ( 1.890 10.679 -1.229) 10.914 3.534 ( 0.362 0.980 -3.300) 3.462 3.796 ( -2.440 8.074 -2.805) 8.889 3.958 ( 3.581 11.513 0.408) 12.064 4.920 ( 2.273 0.607 -2.412) 3.369 5.036 ( 3.157 1.873 -5.988) 7.024 5.130 ( 2.765 -3.877 0.405) 4.779 5.345 ( 3.773 -0.958 -10.327) 11.037 5.541 ( -9.301 -0.146 3.514) 9.943 5.699 ( -5.216 -4.182 0.477) 6.702 5.790 ( 1.065 -0.576 5.761) 5.887 6.048 ( 4.791 -0.939 -2.361) 5.424 6.178 ( -5.122 5.226 2.135) 7.623 6.297 ( -0.766 3.279 3.378) 4.769 6.382 ( -2.349 2.283 7.151) 7.865 6.589 ( -0.758 -1.709 8.704) 8.903 6.733 ( -1.129 -2.854 -1.091) 3.257 6.851 ( 1.109 0.531 5.803) 5.932 7.019 ( -1.041 2.918 -2.900) 4.244 7.186 ( 1.065 4.206 -3.486) 5.566 7.254 ( 5.426 4.277 0.150) 6.910 7.375 ( 0.923 -1.431 -5.821) 6.065 7.694 ( -4.184 -2.908 0.702) 5.143 7.838 ( 0.527 -0.427 0.326) 0.753 8.196 ( -1.924 -7.889 -0.311) 8.126 8.275 ( -1.948 -5.165 -2.229) 5.953 9.057 ( 0.697 1.416 1.077) 1.911 9.110 ( 2.067 0.853 0.423) 2.275 9.887 ( -1.349 0.852 -0.883) 1.824 9.929 ( -0.183 -1.482 2.002) 2.498 9.972 ( 2.126 1.849 0.522) 2.865 10.146 ( 0.986 6.067 -2.265) 6.550 10.918 ( -0.861 -3.544 -0.382) 3.667 10.935 ( 0.542 -4.822 -0.033) 4.853 11.036 ( 1.531 0.164 3.327) 3.666 11.119 ( -1.804 2.894 -2.694) 4.346 ======================= Grid point 148 (64/156) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -11.677 10.482 8.203) 17.706 1.469 ( -9.043 11.554 -1.382) 14.737 1.679 ( -2.382 10.969 -0.090) 11.225 1.846 ( 1.704 18.893 1.134) 19.004 2.000 ( 1.883 3.778 4.640) 6.273 2.027 ( 1.532 3.255 -0.260) 3.607 2.127 ( -7.633 9.079 -6.707) 13.626 2.241 ( 2.217 4.262 0.812) 4.872 2.904 ( 0.386 -6.993 1.813) 7.234 2.966 ( 0.410 1.881 -1.198) 2.268 3.237 ( -0.429 8.037 -0.425) 8.060 3.294 ( 1.723 8.451 -1.897) 8.831 3.428 ( -1.773 6.462 -4.683) 8.175 3.586 ( 3.324 8.543 1.570) 9.300 3.742 ( -1.048 6.715 -1.891) 7.054 4.002 ( 1.666 11.599 -0.923) 11.754 4.947 ( 2.613 -1.515 -2.877) 4.172 5.033 ( 2.642 0.767 -5.540) 6.186 5.192 ( 3.151 -4.677 1.924) 5.959 5.337 ( 5.134 -0.031 -8.469) 9.903 5.431 ( -5.710 0.067 3.363) 6.627 5.638 ( -2.358 -5.072 3.151) 6.420 5.848 ( -2.228 1.290 5.797) 6.343 6.079 ( 1.606 0.167 -0.275) 1.638 6.145 ( -1.437 2.549 1.550) 3.312 6.312 ( -2.454 4.349 3.754) 6.247 6.370 ( -5.138 2.582 4.217) 7.131 6.644 ( -1.792 -1.589 4.707) 5.281 6.719 ( 2.292 -2.326 2.048) 3.855 6.932 ( 1.746 -0.432 5.596) 5.878 6.954 ( -3.559 1.167 -3.636) 5.220 7.183 ( 2.760 2.969 -4.335) 5.935 7.335 ( 0.371 -1.033 -4.631) 4.759 7.360 ( 5.879 4.836 -0.244) 7.617 7.561 ( -6.591 -0.323 -2.285) 6.983 7.860 ( -2.322 -5.257 0.251) 5.752 8.122 ( -3.176 0.638 -1.438) 3.544 8.252 ( -1.509 -6.375 1.020) 6.630 9.084 ( 1.455 2.080 0.457) 2.580 9.140 ( 1.289 0.788 -0.319) 1.544 9.865 ( 0.122 -0.620 -0.427) 0.763 9.939 ( -0.767 -1.387 2.021) 2.569 10.028 ( 3.244 -0.529 0.435) 3.315 10.148 ( 1.482 4.975 -1.793) 5.492 10.898 ( -0.958 -4.003 -0.432) 4.138 10.939 ( 0.005 -4.624 -0.238) 4.630 11.064 ( -1.493 1.126 -2.592) 3.196 11.101 ( 2.452 1.345 3.650) 4.598 ======================= Grid point 149 (65/156) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -11.208 13.983 10.310) 20.675 1.250 ( -14.893 13.836 0.284) 20.330 1.696 ( 2.383 7.360 1.228) 7.833 1.810 ( -6.055 23.365 -4.316) 24.519 1.970 ( 0.104 19.000 2.122) 19.118 1.983 ( -2.399 6.819 -2.682) 7.710 2.137 ( 3.918 1.397 1.789) 4.527 2.288 ( 1.562 -1.889 1.158) 2.710 2.909 ( -0.846 -6.871 0.938) 6.986 2.980 ( 2.007 3.776 -0.826) 4.355 3.223 ( -0.714 2.603 -0.990) 2.875 3.290 ( 1.115 8.068 -4.357) 9.237 3.370 ( -1.344 10.056 -1.522) 10.259 3.658 ( 2.872 10.072 2.239) 10.710 3.716 ( -0.369 6.444 -2.124) 6.795 4.003 ( 0.213 11.189 -2.162) 11.398 4.932 ( -0.161 -2.133 -4.172) 4.688 5.034 ( 1.765 -2.995 -3.480) 4.919 5.268 ( 3.252 -4.863 1.459) 6.029 5.353 ( 2.939 -2.049 -4.586) 5.820 5.427 ( 0.728 0.668 5.546) 5.634 5.699 ( 4.522 -4.238 5.337) 8.179 5.822 ( -3.557 1.085 3.321) 4.986 6.088 ( -6.295 1.503 2.498) 6.937 6.113 ( -1.302 -0.535 -0.788) 1.613 6.284 ( -5.803 2.757 3.716) 7.422 6.334 ( 0.592 6.274 5.143) 8.134 6.628 ( -2.067 -1.685 0.810) 2.787 6.797 ( -3.392 -0.009 -1.078) 3.559 6.842 ( 0.067 0.693 1.682) 1.821 7.014 ( 1.830 1.610 4.327) 4.966 7.207 ( 4.404 0.260 -3.765) 5.800 7.299 ( -0.674 -0.347 -3.180) 3.269 7.437 ( 3.148 3.208 -2.436) 5.112 7.465 ( -2.418 0.406 -0.762) 2.568 7.722 ( -8.692 -3.371 -4.892) 10.529 8.106 ( -0.296 4.718 1.952) 5.115 8.217 ( -3.152 -5.606 0.765) 6.477 9.114 ( 1.591 2.311 0.087) 2.807 9.153 ( 0.728 0.706 -0.408) 1.093 9.880 ( 0.885 -2.817 0.804) 3.060 9.948 ( 0.482 -1.760 1.036) 2.098 10.080 ( 2.258 -3.447 -0.556) 4.158 10.165 ( 2.094 3.977 -1.130) 4.634 10.875 ( -1.195 -4.923 -0.548) 5.095 10.934 ( -0.091 -5.433 -0.338) 5.444 11.023 ( -0.837 0.785 -1.816) 2.148 11.189 ( 4.235 1.642 2.295) 5.089 ======================= Grid point 150 (66/156) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -13.150 13.036 13.124) 22.696 1.011 ( -8.826 20.134 2.431) 22.118 1.687 ( -2.386 28.080 1.489) 28.221 1.742 ( 0.469 14.614 -1.604) 14.710 1.929 ( -1.273 8.667 -2.803) 9.198 2.031 ( 3.051 10.536 1.603) 11.085 2.187 ( 0.629 2.308 0.416) 2.428 2.311 ( 0.229 -3.005 0.506) 3.056 2.908 ( -0.135 -6.744 1.362) 6.881 3.019 ( 2.615 8.195 0.130) 8.604 3.194 ( -0.800 -6.252 -1.700) 6.529 3.272 ( 1.336 12.582 -3.600) 13.155 3.345 ( -0.933 11.040 -0.050) 11.079 3.674 ( -1.277 9.110 -3.694) 9.913 3.722 ( 2.071 7.887 1.427) 8.278 3.980 ( 0.042 10.070 -2.802) 10.453 4.905 ( 1.127 -1.370 -1.636) 2.413 5.023 ( 0.764 -5.824 -3.300) 6.738 5.292 ( 1.635 -2.854 -6.438) 7.230 5.366 ( -1.099 -7.282 3.638) 8.214 5.526 ( 1.897 0.026 6.564) 6.832 5.778 ( 1.093 1.327 -0.711) 1.861 5.870 ( 2.471 -3.139 1.837) 4.397 5.980 ( -4.750 1.074 6.497) 8.119 6.063 ( -5.303 0.489 4.721) 7.117 6.235 ( -2.845 1.285 3.207) 4.475 6.418 ( -0.577 5.620 7.215) 9.163 6.584 ( -3.217 -1.531 -0.017) 3.562 6.688 ( 0.092 3.092 -1.087) 3.278 6.907 ( -2.063 1.641 3.453) 4.344 7.077 ( 2.581 6.264 2.184) 7.118 7.230 ( -2.353 5.465 -3.850) 7.087 7.267 ( 4.376 -4.830 -1.591) 6.709 7.385 ( -3.857 -3.397 -1.925) 5.489 7.473 ( 2.337 2.367 -3.081) 4.534 7.576 ( -2.524 2.050 -2.550) 4.132 8.108 ( -1.063 2.996 1.245) 3.414 8.171 ( -2.730 -2.700 0.609) 3.888 9.135 ( 0.731 1.789 -0.124) 1.937 9.162 ( 0.680 1.451 -0.258) 1.623 9.893 ( -0.473 -4.269 1.246) 4.472 9.981 ( 2.176 -1.619 0.475) 2.753 10.085 ( -0.233 -6.805 -1.473) 6.966 10.200 ( 2.721 2.796 -2.162) 4.460 10.852 ( -0.775 -5.728 0.056) 5.780 10.933 ( 0.237 -6.187 -0.177) 6.195 11.002 ( -0.084 0.972 -1.057) 1.439 11.263 ( 3.125 0.377 -2.702) 4.148 ======================= Grid point 151 (67/156) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -4.209 16.166 8.518) 18.751 1.394 ( 0.832 19.061 4.868) 19.691 1.794 ( 0.219 5.293 -4.442) 6.914 1.996 ( -0.751 -0.054 0.961) 1.220 2.045 ( -0.394 3.609 -6.238) 7.218 2.212 ( 0.441 1.040 -0.071) 1.131 2.439 ( -0.975 21.953 3.126) 22.196 2.548 ( 0.099 25.785 2.375) 25.894 2.737 ( 0.061 -10.942 2.508) 11.225 2.902 ( 1.327 -15.725 0.593) 15.792 3.305 ( 0.012 9.724 1.477) 9.836 3.487 ( -0.199 7.414 -1.349) 7.538 3.581 ( 2.397 13.225 -1.000) 13.478 3.819 ( 0.264 11.456 -5.801) 12.843 3.892 ( 0.136 7.109 -2.580) 7.564 4.106 ( 2.265 5.832 -7.155) 9.505 4.907 ( 2.196 -2.580 -2.628) 4.288 4.956 ( 4.207 -1.312 0.570) 4.444 5.194 ( -0.172 -1.773 -5.611) 5.887 5.247 ( -5.022 -2.223 2.370) 5.982 5.592 ( -0.703 1.580 2.117) 2.733 5.743 ( -1.188 -0.365 -2.989) 3.237 5.908 ( 2.939 1.904 1.643) 3.868 5.976 ( -5.167 -2.333 3.280) 6.550 6.121 ( 0.518 2.777 10.699) 11.065 6.266 ( -0.470 0.833 9.042) 9.093 6.524 ( -1.667 -2.208 3.095) 4.151 6.601 ( 0.323 6.709 6.709) 9.493 6.797 ( 1.284 1.743 2.496) 3.304 6.883 ( -4.431 2.916 -0.122) 5.306 7.072 ( -5.714 -2.873 -7.601) 9.934 7.215 ( -1.898 -1.416 -4.851) 5.398 7.262 ( 1.885 2.667 -1.254) 3.499 7.410 ( 6.040 1.689 -0.519) 6.293 7.551 ( 2.798 4.725 0.392) 5.505 7.623 ( 0.946 3.350 -1.520) 3.799 8.080 ( 0.909 -2.080 1.348) 2.640 8.187 ( -1.076 2.562 -0.820) 2.897 9.163 ( 0.453 1.000 0.026) 1.098 9.189 ( -0.707 0.632 -0.392) 1.026 9.832 ( -0.966 -1.058 0.718) 1.603 9.900 ( -1.773 -7.058 -1.066) 7.356 9.958 ( 2.399 -5.990 1.578) 6.642 10.196 ( -0.119 -1.711 -4.006) 4.357 10.774 ( 0.870 -3.407 1.963) 4.027 10.847 ( 0.553 -2.016 0.183) 2.099 10.991 ( 1.096 -3.032 0.318) 3.239 11.199 ( -2.007 -2.671 -4.266) 5.418 ======================= Grid point 152 (68/156) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -0.298 14.721 9.174) 17.348 1.506 ( 5.159 14.224 6.888) 16.625 1.737 ( 0.177 9.447 -7.480) 12.051 1.971 ( 1.529 -0.162 -4.223) 4.494 2.029 ( -0.848 2.466 2.425) 3.560 2.193 ( -1.456 -0.539 -2.233) 2.720 2.425 ( -3.324 21.340 1.958) 21.686 2.581 ( 0.958 25.161 2.527) 25.306 2.756 ( -0.857 -11.120 2.425) 11.413 2.922 ( 0.482 -14.211 0.294) 14.222 3.329 ( 0.784 9.177 1.425) 9.320 3.461 ( -0.806 7.597 -2.140) 7.933 3.628 ( 2.599 12.061 0.644) 12.354 3.771 ( 1.107 13.295 -6.209) 14.715 3.879 ( 1.303 5.065 -1.803) 5.532 4.094 ( 3.881 6.891 -7.528) 10.919 4.911 ( 1.449 -2.263 -3.849) 4.694 5.030 ( 3.241 -2.361 -1.336) 4.226 5.159 ( -3.386 -0.811 -1.645) 3.851 5.187 ( 1.961 -1.834 0.578) 2.746 5.600 ( -0.683 0.938 4.258) 4.413 5.707 ( 0.438 1.720 -3.371) 3.810 5.863 ( -6.873 -0.183 3.182) 7.576 6.041 ( 5.833 0.006 3.993) 7.069 6.210 ( -1.948 2.641 8.995) 9.575 6.342 ( -1.273 4.079 9.039) 9.998 6.517 ( -3.485 -1.412 5.916) 7.010 6.659 ( -5.319 2.564 2.157) 6.287 6.778 ( -2.374 -2.595 0.633) 3.574 6.832 ( -1.245 0.453 0.156) 1.334 6.937 ( -0.113 1.800 -4.877) 5.200 7.166 ( 3.012 -1.923 -4.041) 5.394 7.291 ( 1.928 2.895 -1.621) 3.838 7.491 ( 4.682 0.987 -1.725) 5.086 7.555 ( -2.515 3.150 -1.482) 4.295 7.657 ( 3.884 1.321 -0.877) 4.195 8.117 ( 0.532 -0.575 0.896) 1.190 8.158 ( -0.373 1.792 -0.811) 2.002 9.156 ( -1.375 1.054 -0.530) 1.811 9.178 ( 0.084 0.598 0.220) 0.643 9.817 ( -1.273 -4.654 0.210) 4.830 9.886 ( 0.745 -1.576 0.420) 1.793 9.999 ( 0.478 -5.949 0.805) 6.022 10.172 ( 2.013 -0.609 -3.470) 4.058 10.807 ( 0.692 -3.490 1.606) 3.904 10.862 ( 0.740 -1.870 0.040) 2.012 11.028 ( 1.633 -3.687 1.388) 4.265 11.110 ( -2.253 -0.254 -4.676) 5.196 ======================= Grid point 153 (69/156) ======================= q-point: ( 0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 1.127 12.435 9.524) 15.703 1.640 ( 3.202 9.509 0.939) 10.077 1.722 ( 4.721 8.004 -0.322) 9.298 1.983 ( 2.814 3.346 -5.446) 6.984 2.044 ( -0.601 -1.200 5.406) 5.570 2.127 ( -2.203 2.564 -3.044) 4.549 2.381 ( -2.666 21.202 1.035) 21.394 2.602 ( -0.799 19.309 0.462) 19.331 2.743 ( -2.623 -9.560 1.301) 9.999 2.930 ( 0.682 -10.893 -0.229) 10.917 3.343 ( -0.278 7.842 -0.003) 7.847 3.433 ( 0.230 7.463 -2.122) 7.762 3.660 ( 1.022 10.014 -0.875) 10.104 3.758 ( 2.189 14.515 -2.918) 14.966 3.913 ( 3.482 5.036 -0.205) 6.126 4.092 ( 3.266 8.125 -7.227) 11.354 4.896 ( 1.923 -1.571 -4.241) 4.915 5.050 ( 1.350 -2.744 -2.262) 3.803 5.107 ( -0.116 0.171 -2.307) 2.317 5.255 ( 2.693 -3.184 2.281) 4.753 5.652 ( 0.253 0.029 6.234) 6.239 5.694 ( 1.184 2.859 -2.772) 4.154 5.803 ( -3.264 1.146 3.565) 4.967 6.164 ( 2.779 -2.201 1.729) 3.944 6.200 ( -6.474 4.120 8.650) 11.563 6.384 ( -1.243 4.560 5.460) 7.222 6.485 ( -5.452 -1.688 -0.027) 5.707 6.534 ( -6.819 2.483 4.939) 8.778 6.725 ( -4.418 -1.936 0.814) 4.892 6.806 ( 0.187 -3.111 -0.130) 3.120 7.002 ( 5.611 3.281 0.862) 6.556 7.220 ( 3.871 -1.771 -2.599) 4.988 7.303 ( 2.551 2.891 -2.781) 4.754 7.466 ( -3.990 4.107 -3.431) 6.676 7.561 ( 4.670 0.917 -0.471) 4.782 7.694 ( 2.240 -1.022 -3.495) 4.275 8.113 ( -1.045 -1.674 1.455) 2.452 8.166 ( 1.403 -1.181 -0.614) 1.934 9.126 ( -1.660 1.022 -0.154) 1.955 9.167 ( -1.620 0.429 -0.458) 1.738 9.799 ( -0.529 -5.254 -0.321) 5.290 9.926 ( 2.207 2.372 1.959) 3.786 10.005 ( 0.280 -3.918 0.403) 3.949 10.192 ( 2.495 0.284 -2.315) 3.415 10.824 ( 0.268 -3.120 0.204) 3.138 10.864 ( -0.073 -2.143 -0.989) 2.361 11.010 ( -1.147 -0.855 -2.535) 2.911 11.119 ( 2.915 -1.492 2.169) 3.928 ======================= Grid point 154 (70/156) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 1.219 10.555 9.661) 14.361 1.678 ( 2.473 7.622 -1.201) 8.103 1.823 ( 2.486 3.924 4.178) 6.247 1.895 ( -5.343 3.149 -4.683) 7.771 2.092 ( 4.751 4.611 -5.785) 8.792 2.161 ( 4.109 -0.372 6.523) 7.718 2.357 ( -1.430 20.872 1.179) 20.954 2.559 ( -3.367 13.506 -1.250) 13.976 2.694 ( -3.260 -6.553 -0.001) 7.319 2.946 ( 1.619 -7.853 -0.586) 8.039 3.328 ( -0.674 6.703 -0.352) 6.746 3.427 ( 0.948 6.574 -2.086) 6.962 3.661 ( 1.084 11.727 -2.190) 11.979 3.772 ( 0.857 11.815 -0.941) 11.883 3.982 ( 3.968 5.748 -0.241) 6.989 4.071 ( 1.581 8.594 -6.229) 10.731 4.916 ( 3.858 -0.905 -2.839) 4.875 5.029 ( -1.902 -1.220 -0.830) 2.408 5.109 ( 2.557 -0.222 -3.240) 4.133 5.312 ( 3.495 -3.306 -1.473) 5.031 5.677 ( -1.833 -0.713 0.970) 2.193 5.701 ( 0.744 1.658 1.062) 2.105 5.804 ( -1.874 1.861 4.993) 5.649 6.108 ( -3.709 -0.787 0.300) 3.804 6.247 ( -1.571 2.519 7.108) 7.703 6.376 ( -5.866 -0.165 2.382) 6.334 6.409 ( 0.146 3.845 2.137) 4.401 6.493 ( -5.668 0.322 7.831) 9.673 6.687 ( -1.645 -0.443 -0.613) 1.811 6.817 ( 0.156 0.449 2.781) 2.822 7.098 ( 3.574 0.920 1.383) 3.941 7.190 ( -1.387 -0.117 -5.158) 5.343 7.335 ( 3.139 2.176 -4.476) 5.884 7.397 ( -0.443 3.693 -1.575) 4.039 7.632 ( 1.819 -0.846 0.651) 2.109 7.698 ( 4.068 -1.150 -4.921) 6.488 8.105 ( -0.817 -3.188 1.759) 3.732 8.208 ( 2.669 -3.714 0.561) 4.608 9.089 ( -2.498 1.093 0.156) 2.731 9.119 ( -2.667 -0.580 -1.080) 2.935 9.795 ( 0.511 -3.356 -0.480) 3.428 9.979 ( 1.219 3.153 1.969) 3.912 10.026 ( 1.059 -0.524 1.445) 1.867 10.207 ( 1.776 0.964 -2.463) 3.186 10.812 ( -0.566 -3.695 -1.564) 4.052 10.864 ( 0.932 -1.775 0.076) 2.006 10.984 ( -0.282 0.134 -1.185) 1.225 11.191 ( 2.681 -1.111 1.799) 3.414 ======================= Grid point 155 (71/156) ======================= q-point: ( 0.40 0.30 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -0.634 9.347 8.945) 12.953 1.659 ( -3.955 5.872 1.088) 7.162 1.818 ( 1.055 6.821 -2.545) 7.357 1.880 ( 0.840 2.699 3.184) 4.257 2.133 ( 5.093 3.259 -5.189) 7.968 2.268 ( 2.454 -2.323 -1.199) 3.585 2.352 ( -1.136 18.538 3.424) 18.886 2.487 ( -3.067 12.807 1.107) 13.215 2.645 ( -1.824 -4.302 -0.277) 4.681 2.969 ( 1.441 -6.236 -1.171) 6.507 3.324 ( -0.019 6.119 1.130) 6.223 3.427 ( 1.404 5.647 -2.133) 6.198 3.663 ( 1.230 13.753 -1.938) 13.943 3.762 ( -0.437 9.233 -2.223) 9.507 4.025 ( 2.560 6.725 -2.820) 7.729 4.052 ( 1.721 7.868 -3.557) 8.805 4.958 ( 1.624 -0.139 -1.110) 1.972 4.992 ( 0.063 -1.192 -1.177) 1.676 5.115 ( 1.413 1.612 -3.243) 3.887 5.348 ( 4.541 -2.752 -6.474) 8.373 5.644 ( -1.568 -1.266 -0.101) 2.018 5.709 ( 0.108 -0.436 -0.841) 0.953 5.810 ( -4.318 2.910 6.500) 8.329 6.076 ( -1.148 -0.035 0.023) 1.149 6.249 ( -2.850 0.489 4.207) 5.105 6.334 ( -3.507 -1.005 5.261) 6.402 6.421 ( -2.495 3.980 3.710) 5.986 6.490 ( -2.591 0.613 8.007) 8.438 6.653 ( -0.805 2.667 0.517) 2.833 6.847 ( -0.873 -0.397 2.706) 2.871 7.092 ( -0.208 -1.855 -4.632) 4.994 7.192 ( 2.199 1.084 1.541) 2.896 7.330 ( 1.963 4.521 -4.635) 6.766 7.395 ( 1.285 2.261 -2.170) 3.388 7.654 ( 1.764 1.959 -0.577) 2.699 7.728 ( 2.079 -4.787 -1.640) 5.470 8.130 ( 1.372 -3.026 1.156) 3.518 8.236 ( 0.097 -5.729 -0.499) 5.751 9.056 ( -1.262 0.584 0.662) 1.540 9.067 ( -2.027 -1.039 -0.307) 2.298 9.809 ( 1.270 -1.428 0.121) 1.914 10.001 ( -0.558 2.433 1.982) 3.187 10.048 ( -0.198 3.191 0.508) 3.237 10.215 ( 1.921 0.929 -2.544) 3.321 10.798 ( 0.263 -4.615 -0.437) 4.643 10.885 ( 0.878 -0.951 0.018) 1.295 10.973 ( -0.006 -0.018 -0.007) 0.020 11.232 ( 1.003 -0.161 -0.428) 1.102 ======================= Grid point 156 (72/156) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -6.364 7.848 4.362) 11.006 1.701 ( 2.484 7.063 7.352) 10.493 1.815 ( -0.451 6.679 -0.604) 6.721 1.923 ( 1.191 3.173 2.220) 4.052 2.138 ( -0.190 1.912 -5.565) 5.888 2.224 ( -1.501 0.811 -5.570) 5.826 2.341 ( -2.204 14.072 2.155) 14.406 2.518 ( 2.349 16.817 2.722) 17.197 2.638 ( 0.384 -6.978 2.109) 7.300 2.962 ( -0.511 -5.248 -2.144) 5.692 3.350 ( 0.827 5.067 2.404) 5.669 3.436 ( 1.509 5.350 -1.546) 5.770 3.667 ( 0.887 12.997 -1.534) 13.117 3.725 ( 0.263 10.646 -4.092) 11.408 4.017 ( -0.723 6.891 -3.886) 7.944 4.075 ( 4.689 7.204 -2.432) 8.933 4.942 ( -0.785 0.800 -0.542) 1.245 5.018 ( 2.478 -2.061 -1.366) 3.501 5.107 ( 1.331 3.276 -3.091) 4.697 5.349 ( 4.548 -1.376 -10.086) 11.150 5.627 ( -2.295 -1.534 1.366) 3.080 5.695 ( -2.349 -2.409 0.429) 3.392 5.766 ( -4.447 2.760 4.386) 6.829 6.021 ( -1.762 -0.359 -3.060) 3.549 6.297 ( 1.898 0.278 4.860) 5.224 6.330 ( -3.201 -0.571 7.759) 8.412 6.387 ( -4.749 4.739 3.134) 7.404 6.531 ( -1.665 0.747 8.071) 8.275 6.676 ( 0.954 0.507 2.464) 2.690 6.827 ( -1.941 -1.375 0.123) 2.382 7.075 ( 1.661 -0.363 -2.442) 2.976 7.234 ( 0.784 0.730 1.351) 1.724 7.330 ( 2.649 6.210 -3.793) 7.744 7.395 ( 1.425 2.917 -3.149) 4.523 7.661 ( -0.871 -1.107 0.235) 1.428 7.774 ( 3.464 -2.747 0.749) 4.484 8.129 ( -2.301 -3.966 -0.929) 4.678 8.214 ( -0.431 -5.568 -1.954) 5.916 9.045 ( -0.101 -0.509 0.750) 0.912 9.070 ( 1.154 -0.453 1.187) 1.716 9.841 ( 1.444 -0.612 1.544) 2.201 10.001 ( -1.711 1.911 2.329) 3.464 10.023 ( -1.652 4.415 -2.011) 5.125 10.224 ( 1.542 1.293 -2.276) 3.038 10.813 ( 1.092 -4.450 0.867) 4.664 10.883 ( -0.624 -1.132 -0.827) 1.535 10.995 ( 1.411 0.082 1.928) 2.390 11.213 ( -1.377 -0.109 -2.799) 3.121 ======================= Grid point 157 (73/156) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -6.954 8.929 5.767) 12.702 1.745 ( -3.792 7.196 1.343) 8.244 1.851 ( 3.194 6.500 4.091) 8.319 1.969 ( 1.842 1.184 2.779) 3.538 2.027 ( -5.120 2.357 -4.940) 7.495 2.162 ( -0.299 2.342 -4.187) 4.807 2.341 ( -0.072 15.641 1.570) 15.720 2.565 ( 2.005 18.222 -0.984) 18.359 2.685 ( 0.732 -8.530 4.239) 9.553 2.921 ( -1.279 -5.598 -2.640) 6.320 3.377 ( -0.084 4.499 1.163) 4.647 3.449 ( 1.189 5.818 -0.844) 5.998 3.650 ( -0.270 10.323 -2.860) 10.715 3.730 ( 3.592 13.754 -2.328) 14.405 3.950 ( -1.902 7.145 -4.398) 8.603 4.145 ( 5.042 7.078 -2.221) 8.969 4.934 ( 0.176 0.792 -0.319) 0.872 5.035 ( 1.414 -2.629 -2.838) 4.118 5.115 ( 2.230 3.269 -1.410) 4.201 5.337 ( 5.262 -0.128 -10.763) 11.981 5.537 ( -8.743 -0.312 2.569) 9.117 5.621 ( -5.574 -3.708 -0.177) 6.697 5.797 ( 2.190 1.595 5.565) 6.190 6.026 ( 3.861 -1.402 -1.769) 4.472 6.285 ( -6.283 5.134 3.975) 9.035 6.357 ( -0.898 3.026 4.402) 5.417 6.394 ( -0.455 -0.965 6.534) 6.620 6.575 ( -1.698 0.209 8.102) 8.280 6.678 ( -1.860 -2.464 -1.148) 3.293 6.826 ( 1.028 -2.882 2.004) 3.658 7.080 ( 0.132 3.387 -1.441) 3.683 7.241 ( 0.308 2.196 -1.249) 2.545 7.354 ( 2.603 3.140 -3.168) 5.165 7.396 ( 2.690 5.152 -2.197) 6.213 7.636 ( -2.879 -2.903 0.446) 4.112 7.808 ( -0.579 -3.164 -1.233) 3.445 8.084 ( -0.661 -3.454 0.960) 3.645 8.193 ( -0.067 -3.578 -1.735) 3.977 9.070 ( 1.637 0.083 1.049) 1.946 9.107 ( 1.929 -0.985 0.305) 2.187 9.879 ( 0.041 -1.007 3.179) 3.335 9.953 ( -3.038 3.974 -2.214) 5.470 9.999 ( -0.597 0.459 0.846) 1.133 10.227 ( 1.033 2.094 -1.982) 3.062 10.838 ( 0.040 -3.459 0.427) 3.485 10.863 ( -0.008 -1.961 -0.483) 2.020 11.044 ( 1.151 -0.179 2.872) 3.100 11.144 ( -2.334 -0.808 -3.639) 4.398 ======================= Grid point 158 (74/156) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -7.818 11.244 7.404) 15.569 1.664 ( -6.209 9.648 0.045) 11.474 1.844 ( -4.222 6.674 -2.071) 8.165 1.988 ( 0.803 1.274 4.913) 5.139 2.018 ( 1.913 -1.026 -1.111) 2.438 2.149 ( 2.502 3.872 -2.532) 5.260 2.362 ( 0.554 16.864 2.087) 17.002 2.569 ( 0.032 21.523 -2.075) 21.623 2.721 ( -0.587 -8.638 3.066) 9.185 2.879 ( -0.594 -8.285 -2.765) 8.754 3.367 ( -1.106 5.546 -0.664) 5.694 3.463 ( 1.248 6.434 -0.749) 6.597 3.621 ( 0.092 11.648 -3.051) 12.041 3.786 ( 4.021 11.416 -0.981) 12.143 3.894 ( -0.293 8.308 -2.674) 8.732 4.192 ( 3.075 7.238 -3.659) 8.674 4.931 ( -0.409 -0.182 -0.781) 0.900 5.014 ( 0.235 -2.908 -4.556) 5.410 5.159 ( 2.734 1.732 0.968) 3.378 5.338 ( 4.724 -0.058 -8.740) 9.936 5.432 ( -5.011 0.057 3.126) 5.906 5.549 ( -2.230 -4.033 2.297) 5.149 5.885 ( -0.403 2.645 6.023) 6.590 6.068 ( 2.639 -1.156 -1.395) 3.201 6.212 ( -5.187 4.373 2.914) 7.383 6.394 ( -0.920 2.669 3.834) 4.761 6.400 ( -4.500 1.609 4.988) 6.908 6.611 ( -2.134 -1.679 3.801) 4.671 6.672 ( 3.683 -1.878 3.181) 5.216 6.876 ( 1.788 -4.080 3.335) 5.565 7.036 ( -3.489 5.651 -1.613) 6.834 7.236 ( 1.484 2.711 -3.051) 4.343 7.334 ( -0.347 0.604 -3.872) 3.934 7.459 ( 4.400 4.717 -0.834) 6.504 7.563 ( -4.067 0.418 -1.579) 4.383 7.747 ( -3.172 -6.517 -3.035) 7.858 8.127 ( 2.115 -0.630 3.139) 3.837 8.176 ( -0.794 -1.409 -0.950) 1.875 9.110 ( 1.969 0.440 0.458) 2.069 9.138 ( 1.720 -0.663 -0.610) 1.942 9.887 ( -1.941 0.482 -1.306) 2.389 9.891 ( -2.069 0.014 2.729) 3.425 10.004 ( 0.059 -2.223 0.808) 2.366 10.225 ( 0.654 2.334 -1.716) 2.970 10.815 ( -1.425 -3.758 -1.147) 4.179 10.872 ( 0.114 -1.554 -0.026) 1.558 11.038 ( -1.807 -3.442 -2.107) 4.422 11.132 ( 1.673 0.502 2.513) 3.060 ======================= Grid point 159 (75/156) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -8.766 13.213 8.716) 18.094 1.521 ( -8.982 14.631 -0.412) 17.174 1.799 ( 0.450 3.950 -0.770) 4.049 1.999 ( -0.216 1.361 -1.506) 2.041 2.078 ( 2.289 3.156 4.375) 5.860 2.170 ( 2.332 0.893 -3.646) 4.420 2.398 ( 0.750 18.520 2.784) 18.743 2.538 ( -1.162 25.267 -1.275) 25.326 2.723 ( -1.319 -9.092 1.641) 9.333 2.856 ( 0.704 -11.736 -1.991) 11.924 3.335 ( -1.470 7.001 -0.761) 7.194 3.479 ( 1.451 6.999 -1.090) 7.231 3.595 ( -0.044 12.618 -2.791) 12.923 3.836 ( 2.911 8.820 -1.827) 9.466 3.892 ( 1.346 10.387 -0.632) 10.493 4.186 ( 1.120 7.037 -5.318) 8.892 4.901 ( -1.257 -0.884 -1.675) 2.274 4.967 ( -0.399 -3.814 -4.807) 6.149 5.217 ( 1.544 -0.321 2.817) 3.228 5.323 ( 1.583 -1.438 -6.793) 7.122 5.440 ( 1.104 0.806 5.825) 5.984 5.615 ( 5.316 -4.257 5.135) 8.529 5.873 ( -3.167 3.812 1.358) 5.139 6.096 ( -0.593 -1.191 -0.186) 1.343 6.132 ( -6.972 3.150 3.310) 8.336 6.311 ( -6.420 0.148 1.236) 6.539 6.452 ( 1.110 5.551 6.597) 8.693 6.599 ( -2.135 -0.985 2.361) 3.332 6.809 ( 4.216 0.159 4.433) 6.120 6.881 ( -3.551 2.665 -0.399) 4.458 7.018 ( 3.278 -0.340 3.736) 4.982 7.234 ( 1.844 2.914 -4.281) 5.498 7.295 ( -0.835 -0.415 -1.051) 1.405 7.459 ( -2.491 0.628 -4.879) 5.514 7.525 ( 1.871 3.302 -1.616) 4.125 7.666 ( -2.159 -2.635 -2.819) 4.422 8.129 ( -2.904 -2.029 -0.743) 3.620 8.191 ( 1.345 2.244 1.761) 3.154 9.148 ( 1.976 -0.200 -0.006) 1.986 9.155 ( 1.018 1.033 -0.369) 1.497 9.859 ( 0.021 0.543 -1.279) 1.389 9.877 ( -2.174 -4.197 3.079) 5.641 10.003 ( -1.060 -4.430 0.046) 4.556 10.221 ( 0.710 1.235 -1.429) 2.018 10.777 ( -1.398 -4.351 -1.135) 4.709 10.861 ( -0.779 -1.379 -0.517) 1.666 10.999 ( -0.626 -3.560 -1.544) 3.931 11.195 ( 2.329 -1.175 2.263) 3.453 ======================= Grid point 160 (76/156) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -8.812 14.620 8.540) 19.088 1.397 ( -4.651 19.658 1.498) 20.256 1.808 ( 0.768 2.311 -1.025) 2.642 1.990 ( 0.586 2.977 -0.777) 3.132 2.112 ( -0.335 2.130 -3.438) 4.058 2.184 ( 2.061 2.588 0.303) 3.322 2.424 ( -0.436 21.042 2.415) 21.185 2.528 ( 0.038 24.712 1.335) 24.748 2.719 ( -0.542 -9.834 1.748) 10.002 2.870 ( 1.834 -14.413 -0.251) 14.532 3.308 ( -1.219 8.641 0.332) 8.733 3.491 ( 0.965 7.383 -1.080) 7.524 3.572 ( 0.489 13.044 -2.462) 13.283 3.850 ( 1.406 9.514 -3.619) 10.276 3.905 ( 0.721 9.670 -1.438) 9.803 4.144 ( 0.692 6.212 -6.403) 8.948 4.884 ( 0.987 -0.794 -0.445) 1.342 4.928 ( 1.165 -3.908 -4.278) 5.911 5.245 ( -0.410 -1.581 -1.023) 1.928 5.283 ( -1.297 -2.365 -0.736) 2.796 5.540 ( 2.565 1.225 5.951) 6.595 5.762 ( 4.619 -4.034 0.301) 6.140 5.847 ( 0.331 2.321 1.479) 2.772 6.015 ( -4.041 2.073 1.427) 4.760 6.085 ( -5.820 1.756 6.863) 9.169 6.239 ( -3.063 -0.824 2.867) 4.276 6.513 ( -1.557 2.427 5.638) 6.333 6.587 ( -2.105 2.774 3.445) 4.898 6.770 ( -2.044 5.368 0.655) 5.782 6.928 ( -0.304 0.614 1.882) 2.003 7.135 ( 4.695 -4.146 2.324) 6.681 7.215 ( -0.016 4.320 -3.084) 5.308 7.307 ( 2.756 0.159 0.927) 2.911 7.351 ( -2.528 0.839 -7.423) 7.886 7.527 ( 0.902 3.525 -2.411) 4.365 7.629 ( -0.120 3.056 -1.661) 3.480 8.079 ( -1.624 -2.425 0.103) 2.921 8.205 ( -0.505 2.008 0.112) 2.074 9.158 ( 0.353 0.548 -0.404) 0.767 9.185 ( 1.213 1.035 0.279) 1.619 9.844 ( -1.259 -0.282 0.653) 1.446 9.895 ( 1.744 -6.848 1.229) 7.173 9.963 ( -2.631 -5.549 -0.913) 6.209 10.221 ( 0.765 -0.934 -2.187) 2.498 10.756 ( -0.325 -3.737 0.331) 3.766 10.846 ( -0.353 -1.882 -0.281) 1.935 10.984 ( 0.016 -3.121 -0.661) 3.190 11.234 ( 0.898 -3.015 -0.899) 3.272 ======================= Grid point 161 (77/156) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -3.201 14.784 6.349) 16.405 1.719 ( -0.400 12.117 0.484) 12.133 1.873 ( 1.473 3.888 3.915) 5.711 2.014 ( 0.040 3.042 -4.696) 5.595 2.114 ( -0.525 3.980 -2.619) 4.793 2.200 ( -1.180 -0.762 0.040) 1.406 2.426 ( 0.160 -13.716 3.113) 14.066 2.582 ( 0.008 -16.097 -0.002) 16.097 2.924 ( -0.220 19.693 1.353) 19.741 3.030 ( 1.378 22.040 -0.462) 22.088 3.394 ( -0.406 -1.041 2.174) 2.444 3.526 ( -0.024 -3.179 -1.203) 3.399 3.823 ( 1.873 11.334 -1.794) 11.627 3.993 ( 0.886 4.392 -4.716) 6.505 4.026 ( 0.272 7.653 -6.225) 9.869 4.165 ( 3.689 0.425 -8.534) 9.307 4.879 ( 2.938 -0.212 -2.931) 4.155 4.931 ( 3.821 -1.594 -0.120) 4.142 5.181 ( -2.252 0.344 -1.457) 2.704 5.218 ( -4.687 -1.090 3.551) 5.981 5.628 ( -1.005 2.182 2.764) 3.662 5.722 ( -0.017 -1.950 -0.599) 2.040 5.951 ( 3.876 2.418 0.633) 4.612 5.970 ( -4.553 1.375 0.633) 4.798 6.162 ( -0.337 1.449 10.297) 10.404 6.247 ( 1.863 -2.677 9.237) 9.796 6.521 ( -3.088 2.205 3.525) 5.179 6.658 ( -2.333 -1.315 6.331) 6.874 6.864 ( -1.652 4.565 1.278) 5.020 6.921 ( -3.096 0.917 -0.063) 3.229 7.033 ( -2.311 0.331 -6.219) 6.643 7.168 ( -2.347 -3.329 -5.541) 6.877 7.338 ( 2.567 3.824 -1.122) 4.740 7.413 ( 4.934 -0.767 -1.308) 5.162 7.647 ( -0.553 4.018 -1.650) 4.378 7.677 ( 1.496 2.150 -1.391) 2.966 8.065 ( 1.721 0.894 2.018) 2.798 8.189 ( 0.547 -2.341 -0.730) 2.513 9.182 ( 0.509 0.987 -0.112) 1.116 9.196 ( -1.014 0.325 -0.423) 1.146 9.768 ( -2.108 -4.414 1.374) 5.081 9.837 ( 0.674 -6.092 2.056) 6.464 9.880 ( 0.797 4.363 -1.254) 4.609 10.123 ( 0.505 -5.642 -3.685) 6.757 10.743 ( 0.340 0.545 2.260) 2.350 10.870 ( 0.225 2.949 -0.782) 3.059 10.905 ( 0.718 -4.235 1.260) 4.477 11.120 ( -0.860 -5.624 -3.253) 6.554 ======================= Grid point 162 (78/156) ======================= q-point: ( 0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -1.219 13.431 6.530) 14.984 1.737 ( 0.923 7.414 2.150) 7.774 1.934 ( 1.167 11.054 -3.188) 11.564 1.966 ( 0.358 1.898 2.330) 3.027 2.088 ( -0.341 4.072 -2.089) 4.589 2.173 ( -0.777 -1.216 -1.623) 2.172 2.454 ( -0.642 -14.065 3.541) 14.518 2.569 ( -0.970 -14.634 -0.921) 14.695 2.927 ( -0.678 18.697 1.055) 18.739 3.045 ( 0.667 20.434 -0.427) 20.449 3.407 ( -0.585 -1.723 2.021) 2.720 3.505 ( -0.906 -3.001 -1.559) 3.501 3.840 ( 1.517 9.403 -1.483) 9.639 3.960 ( 0.840 3.158 -3.695) 4.932 4.002 ( 3.748 9.846 -6.291) 12.271 4.175 ( 5.623 1.313 -8.188) 10.019 4.893 ( 1.722 0.426 -3.466) 3.893 4.979 ( 2.612 -2.915 -2.539) 4.665 5.154 ( -2.104 0.361 1.475) 2.595 5.173 ( -1.440 -0.209 2.675) 3.045 5.630 ( -1.249 2.132 4.208) 4.880 5.717 ( -0.140 -1.101 0.066) 1.111 5.900 ( -3.502 3.911 0.517) 5.275 6.034 ( 4.366 -1.180 0.817) 4.596 6.259 ( -1.434 2.761 11.337) 11.756 6.384 ( 1.172 -1.192 11.609) 11.729 6.496 ( -2.702 1.885 1.911) 3.808 6.670 ( -2.483 -3.482 5.956) 7.332 6.752 ( -8.405 1.457 -4.387) 9.592 6.818 ( -6.952 -1.330 -2.648) 7.558 7.008 ( 3.942 4.438 -1.572) 6.141 7.131 ( 3.485 -1.985 -3.617) 5.401 7.371 ( 2.383 4.957 -1.557) 5.716 7.493 ( 5.473 -0.718 -1.871) 5.828 7.603 ( -2.430 1.806 -1.239) 3.271 7.665 ( -0.888 -0.826 -1.161) 1.679 8.118 ( 1.010 1.062 1.122) 1.846 8.176 ( -0.851 -0.313 -1.992) 2.189 9.168 ( -1.441 0.493 -0.431) 1.583 9.187 ( -0.143 0.155 0.178) 0.276 9.741 ( -1.403 -2.045 0.601) 2.552 9.870 ( 0.730 -6.873 1.736) 7.126 9.919 ( 3.883 4.198 -0.027) 5.718 10.124 ( 3.510 -4.244 -3.506) 6.529 10.774 ( 0.707 0.387 2.326) 2.461 10.873 ( 0.793 2.239 -0.788) 2.503 10.933 ( 0.735 -4.900 1.863) 5.293 11.069 ( -0.729 -3.955 -3.855) 5.570 ======================= Grid point 163 (79/156) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -0.078 10.811 6.648) 12.692 1.780 ( 0.762 2.337 3.130) 3.980 1.886 ( 0.018 10.577 -3.855) 11.258 2.051 ( -1.750 3.224 1.137) 3.840 2.058 ( 3.336 4.302 1.957) 5.785 2.151 ( 0.981 1.150 -3.323) 3.651 2.460 ( -2.154 -13.132 2.938) 13.628 2.540 ( -0.839 -11.703 -1.402) 11.816 2.919 ( -0.972 17.933 0.148) 17.960 3.045 ( 0.123 17.792 -0.772) 17.809 3.400 ( -1.696 -2.292 0.784) 2.957 3.474 ( -0.696 -3.189 -1.544) 3.610 3.854 ( 2.005 9.132 -1.491) 9.468 3.978 ( 3.279 4.453 -1.302) 5.681 4.018 ( 3.430 8.698 -5.058) 10.630 4.191 ( 3.953 1.838 -7.595) 8.757 4.889 ( 2.463 0.898 -3.992) 4.776 4.992 ( 2.264 -3.275 -2.967) 4.965 5.129 ( -1.237 1.919 0.619) 2.366 5.208 ( 1.172 -1.959 2.706) 3.540 5.662 ( -0.940 1.048 5.355) 5.537 5.718 ( -0.211 -0.586 0.704) 0.940 5.867 ( -1.024 5.532 1.013) 5.716 6.093 ( 1.106 -4.710 -0.273) 4.845 6.291 ( -4.843 4.920 9.190) 11.494 6.439 ( -4.967 -2.789 3.071) 6.472 6.480 ( -0.945 5.354 4.850) 7.286 6.581 ( -8.188 2.346 2.748) 8.949 6.687 ( -4.351 -2.200 0.322) 4.886 6.720 ( 2.033 -5.283 3.858) 6.850 7.075 ( 4.327 3.634 -1.749) 5.915 7.183 ( 3.979 -2.152 -2.846) 5.344 7.390 ( 1.858 5.819 -2.393) 6.560 7.526 ( -1.081 1.826 -3.887) 4.429 7.575 ( 3.097 0.502 -0.984) 3.289 7.647 ( -0.304 -3.868 -0.681) 3.939 8.102 ( -2.215 0.470 -0.262) 2.280 8.145 ( -0.232 -1.139 -1.727) 2.082 9.138 ( -1.884 0.486 -0.205) 1.956 9.169 ( -2.225 -0.430 -0.142) 2.270 9.742 ( 1.101 -0.233 0.203) 1.144 9.903 ( 1.764 -6.217 1.347) 6.602 9.997 ( 4.215 4.719 0.798) 6.377 10.166 ( 3.725 -2.879 -2.559) 5.358 10.809 ( 1.138 1.670 1.578) 2.564 10.865 ( -0.463 2.242 -2.157) 3.145 10.963 ( 1.058 -3.880 0.385) 4.040 11.051 ( 1.645 -5.202 -0.286) 5.463 ======================= Grid point 164 (80/156) ======================= q-point: ( 0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.861 8.142 6.999) 10.771 1.795 ( -2.429 0.549 1.771) 3.056 1.878 ( 1.278 7.989 -0.339) 8.098 2.001 ( -1.667 5.733 -1.692) 6.205 2.147 ( 1.708 0.488 0.162) 1.784 2.162 ( 4.399 3.367 -0.235) 5.545 2.432 ( -3.494 -10.955 1.782) 11.636 2.520 ( -0.223 -9.546 -0.786) 9.581 2.895 ( -1.498 18.498 -0.449) 18.564 3.046 ( 1.114 15.262 -1.061) 15.339 3.372 ( -1.752 -2.493 0.573) 3.100 3.456 ( 0.054 -3.298 -1.204) 3.511 3.884 ( 2.484 10.523 -1.089) 10.867 3.987 ( 0.264 9.724 -3.901) 10.481 4.059 ( 4.753 1.865 -2.072) 5.510 4.169 ( 1.289 1.508 -6.519) 6.814 4.916 ( 4.002 1.015 -2.994) 5.100 4.999 ( 0.057 -2.104 -0.867) 2.276 5.128 ( 1.875 2.281 -1.609) 3.363 5.253 ( 2.982 -3.164 -0.906) 4.442 5.668 ( -2.568 0.269 2.331) 3.478 5.715 ( -1.330 -0.808 0.893) 1.794 5.874 ( -0.053 5.441 2.296) 5.906 6.073 ( -1.411 -3.147 -0.362) 3.468 6.295 ( -4.277 2.348 7.563) 9.000 6.357 ( -5.743 -1.122 2.798) 6.486 6.489 ( -2.047 3.646 3.565) 5.495 6.509 ( -5.329 1.178 6.094) 8.180 6.684 ( 0.716 0.517 3.056) 3.181 6.795 ( 1.156 -2.719 4.814) 5.648 7.105 ( 0.677 0.540 -2.184) 2.349 7.170 ( -1.055 -1.961 -4.683) 5.185 7.405 ( 3.177 5.127 -3.170) 6.814 7.483 ( 0.785 3.956 -3.783) 5.530 7.605 ( 1.030 -1.707 0.207) 2.004 7.659 ( 3.675 -3.063 -3.377) 5.856 8.073 ( -1.254 -0.113 1.533) 1.984 8.143 ( 0.656 -2.997 -0.080) 3.069 9.095 ( -2.601 -0.066 -0.255) 2.615 9.112 ( -3.421 -0.390 -0.655) 3.505 9.777 ( 2.459 1.760 0.358) 3.045 9.956 ( 2.190 -4.674 2.184) 5.605 10.068 ( 3.050 3.968 0.364) 5.018 10.194 ( 2.061 -2.033 -2.310) 3.704 10.806 ( -1.298 3.050 -2.077) 3.912 10.869 ( 2.120 2.247 0.942) 3.230 10.963 ( 0.039 -2.273 -1.856) 2.934 11.114 ( 3.452 -6.504 1.910) 7.607 ======================= Grid point 165 (81/156) ======================= q-point: ( 0.40 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -0.334 6.537 6.273) 9.066 1.738 ( -3.342 2.534 1.857) 4.587 1.909 ( 1.370 5.367 0.463) 5.558 1.976 ( -0.584 5.686 1.043) 5.810 2.165 ( 2.702 1.578 -4.471) 5.458 2.228 ( 2.005 -0.662 0.028) 2.112 2.384 ( -3.440 -8.321 2.327) 9.300 2.518 ( 0.252 -8.571 0.262) 8.579 2.868 ( -0.906 19.366 -0.037) 19.387 3.058 ( 1.278 13.432 -1.780) 13.610 3.359 ( -0.878 -2.749 1.749) 3.374 3.454 ( 0.719 -2.862 -0.920) 3.091 3.909 ( 0.956 11.198 -0.935) 11.277 3.950 ( 0.853 9.256 -4.910) 10.513 4.106 ( 3.495 1.491 -3.980) 5.502 4.136 ( 1.021 0.703 -4.252) 4.429 4.959 ( 2.722 0.393 -1.345) 3.062 4.980 ( -1.342 -0.287 0.352) 1.417 5.156 ( 3.082 2.744 -2.730) 4.948 5.293 ( 4.955 -3.281 -5.698) 8.233 5.632 ( -2.250 0.194 0.367) 2.288 5.687 ( -1.829 -1.786 -0.160) 2.561 5.892 ( -2.233 5.348 3.518) 6.780 6.061 ( -0.927 -1.898 0.086) 2.114 6.259 ( -4.554 0.869 4.539) 6.488 6.310 ( -3.986 -1.276 5.435) 6.860 6.481 ( -3.558 2.133 6.277) 7.524 6.508 ( -1.819 0.846 6.211) 6.527 6.711 ( -0.443 3.541 1.155) 3.751 6.831 ( -1.203 -1.497 2.075) 2.827 7.064 ( -0.568 -0.811 -3.238) 3.386 7.137 ( 0.510 -4.355 1.097) 4.520 7.435 ( 3.524 5.823 -4.266) 8.033 7.478 ( 2.132 4.277 -3.071) 5.680 7.655 ( 4.019 -1.561 0.760) 4.378 7.673 ( 1.099 -1.587 -3.502) 3.999 8.082 ( -0.104 -1.526 1.688) 2.278 8.142 ( -1.110 -4.104 -0.146) 4.254 9.051 ( -1.875 -0.470 -0.408) 1.976 9.059 ( -1.819 -0.302 0.369) 1.880 9.826 ( 2.172 3.285 1.079) 4.084 10.004 ( 0.229 -2.496 2.762) 3.729 10.107 ( 1.535 2.808 -0.754) 3.288 10.200 ( 1.303 -1.969 -2.266) 3.272 10.775 ( -0.116 2.349 -0.945) 2.534 10.914 ( 1.632 4.031 0.417) 4.369 10.944 ( -0.005 -3.045 -1.084) 3.232 11.171 ( 1.641 -5.827 -0.240) 6.058 ======================= Grid point 166 (82/156) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -4.459 6.343 2.170) 8.051 1.802 ( 0.034 1.363 6.612) 6.751 1.924 ( 0.531 5.958 0.984) 6.062 1.995 ( 0.450 5.159 1.655) 5.437 2.138 ( -1.256 -0.670 -4.909) 5.111 2.229 ( 0.661 1.882 -3.033) 3.630 2.376 ( -0.780 -7.199 3.287) 7.952 2.531 ( 0.530 -8.369 0.807) 8.425 2.872 ( 0.719 18.773 1.147) 18.822 3.047 ( -0.081 12.894 -2.848) 13.205 3.372 ( -0.152 -3.094 2.513) 3.989 3.462 ( 0.840 -2.872 -0.467) 3.029 3.893 ( -0.670 10.519 -2.024) 10.733 3.947 ( 3.433 10.613 -4.576) 12.057 4.101 ( -0.506 1.382 -3.959) 4.224 4.147 ( 5.441 0.437 -4.370) 6.992 4.958 ( -1.189 0.908 0.966) 1.781 4.990 ( 1.196 -0.947 -0.690) 1.675 5.178 ( 2.409 3.925 -2.753) 5.366 5.317 ( 5.225 -2.417 -8.569) 10.324 5.606 ( -2.107 -0.381 0.892) 2.320 5.650 ( -3.483 -2.222 0.777) 4.204 5.844 ( -4.234 4.914 1.543) 6.667 5.999 ( -2.579 -2.082 -3.156) 4.577 6.291 ( 1.212 -0.293 6.743) 6.857 6.315 ( -2.097 -0.755 6.518) 6.889 6.472 ( -4.260 3.617 5.756) 8.022 6.541 ( -1.691 -0.080 7.190) 7.387 6.697 ( -1.447 1.737 -0.162) 2.267 6.791 ( -2.316 -2.353 -1.868) 3.793 7.080 ( 2.876 1.243 1.352) 3.412 7.195 ( 2.598 -3.475 3.591) 5.632 7.441 ( 1.831 5.392 -4.153) 7.048 7.491 ( 2.281 4.684 -3.213) 6.121 7.633 ( -2.059 -0.644 -2.062) 2.984 7.733 ( 3.084 -2.743 -0.064) 4.127 8.067 ( -2.288 -1.921 -0.256) 2.999 8.123 ( 0.136 -3.979 -0.541) 4.018 9.037 ( 0.407 -0.174 0.475) 0.650 9.056 ( 0.602 -0.915 0.804) 1.359 9.868 ( 0.642 3.325 2.302) 4.095 10.009 ( -2.201 -1.303 2.366) 3.484 10.101 ( -0.698 3.353 -2.264) 4.106 10.208 ( 1.731 -2.459 -1.747) 3.478 10.790 ( 1.647 2.196 0.893) 2.886 10.901 ( -1.365 2.464 -1.775) 3.329 10.974 ( 2.047 -1.786 1.553) 3.129 11.157 ( -1.639 -5.450 -2.797) 6.341 ======================= Grid point 167 (83/156) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -4.292 7.815 4.061) 9.798 1.829 ( -2.520 -0.924 4.490) 5.232 1.969 ( 2.355 5.226 1.830) 6.017 2.002 ( -0.612 6.060 0.380) 6.103 2.051 ( -3.067 0.511 -3.893) 4.982 2.219 ( 0.910 4.074 -2.190) 4.714 2.394 ( -0.285 -8.132 2.088) 8.400 2.549 ( 0.740 -8.721 0.795) 8.788 2.903 ( 0.899 16.819 1.470) 16.907 3.014 ( -0.171 14.657 -3.064) 14.975 3.392 ( 0.006 -3.096 2.017) 3.696 3.475 ( 0.980 -3.217 0.068) 3.364 3.858 ( -0.434 9.992 -3.265) 10.521 3.969 ( 2.888 9.417 -4.745) 10.933 4.052 ( 0.451 4.102 -3.687) 5.534 4.217 ( 6.243 0.444 -4.051) 7.456 4.950 ( -1.088 0.829 1.234) 1.842 4.990 ( -0.140 -1.695 -1.280) 2.129 5.196 ( 2.180 4.471 -1.857) 5.310 5.325 ( 4.797 -1.496 -8.527) 9.897 5.530 ( -7.299 -0.235 1.087) 7.383 5.563 ( -6.008 -2.262 -0.093) 6.420 5.851 ( 2.744 3.810 3.481) 5.845 5.991 ( 3.495 -2.416 -1.236) 4.425 6.337 ( -2.835 0.569 7.042) 7.613 6.368 ( -0.367 -1.179 6.273) 6.393 6.438 ( -3.402 5.033 3.101) 6.820 6.573 ( -1.951 -1.217 6.031) 6.454 6.656 ( -2.586 0.541 -0.232) 2.652 6.759 ( -0.014 -3.716 0.258) 3.725 7.146 ( 2.064 3.570 1.199) 4.295 7.257 ( 1.432 -0.854 1.209) 2.060 7.421 ( -0.212 4.546 -3.731) 5.885 7.503 ( 2.597 4.501 -2.760) 5.884 7.589 ( -1.499 -1.732 -0.206) 2.300 7.719 ( -2.894 -5.540 -3.259) 7.050 8.058 ( 1.385 0.297 1.736) 2.240 8.131 ( 1.354 -2.958 -0.584) 3.305 9.067 ( 2.027 -0.198 0.618) 2.128 9.084 ( 1.947 -1.161 0.118) 2.270 9.883 ( -2.150 1.559 3.493) 4.388 9.980 ( -2.959 -1.941 1.820) 3.979 10.051 ( -1.777 5.339 -3.129) 6.439 10.223 ( 1.324 -2.366 -1.306) 3.010 10.827 ( -0.106 2.443 0.088) 2.446 10.861 ( 0.059 1.641 -0.752) 1.806 11.017 ( -0.262 -2.556 1.126) 2.805 11.083 ( -1.861 -5.243 -2.665) 6.169 ======================= Grid point 168 (84/156) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -4.589 9.513 5.827) 12.063 1.811 ( -3.338 2.563 3.413) 5.419 1.929 ( -3.614 3.516 -3.662) 6.232 2.013 ( 1.795 2.424 -2.987) 4.245 2.046 ( 1.457 4.451 4.910) 6.786 2.214 ( 0.327 4.180 -1.716) 4.530 2.400 ( -0.737 -10.103 1.261) 10.208 2.569 ( 0.648 -10.405 0.595) 10.442 2.914 ( -0.416 16.074 0.003) 16.080 2.999 ( 1.124 18.169 -1.860) 18.298 3.403 ( -0.431 -2.204 0.969) 2.446 3.497 ( 1.265 -3.143 0.079) 3.389 3.828 ( 0.732 9.255 -3.277) 9.845 3.952 ( 1.476 4.188 -4.345) 6.213 4.068 ( 3.132 10.011 -2.316) 10.742 4.269 ( 4.310 0.892 -5.443) 7.000 4.933 ( -2.008 0.211 0.577) 2.100 4.960 ( -1.126 -2.089 -2.907) 3.752 5.218 ( 1.244 3.608 -0.156) 3.819 5.324 ( 2.430 -1.533 -6.254) 6.882 5.436 ( -3.734 0.455 2.231) 4.373 5.487 ( -1.766 -2.420 1.450) 3.328 5.947 ( 1.600 3.505 4.674) 6.057 6.042 ( 2.867 -1.413 -1.093) 3.378 6.296 ( -6.658 3.850 3.659) 8.517 6.385 ( -3.993 -1.422 3.301) 5.373 6.461 ( 1.061 3.067 5.502) 6.387 6.575 ( -1.041 -2.241 2.578) 3.571 6.665 ( 2.410 1.144 4.708) 5.411 6.790 ( 1.619 -4.644 3.438) 6.001 7.145 ( -2.535 5.311 -0.802) 5.939 7.270 ( 0.037 -0.082 -0.340) 0.352 7.370 ( -1.053 3.907 -4.358) 5.947 7.525 ( 1.947 1.949 -3.073) 4.127 7.570 ( -0.248 -0.042 -1.235) 1.260 7.620 ( -2.987 -6.125 -3.347) 7.592 8.120 ( 2.030 0.318 1.916) 2.810 8.160 ( 2.175 -0.948 0.366) 2.401 9.105 ( 2.093 -0.382 -0.292) 2.147 9.125 ( 2.676 -0.780 -0.189) 2.793 9.853 ( -4.518 -0.441 3.108) 5.501 9.940 ( -3.264 -3.283 0.793) 4.696 9.997 ( -1.657 6.512 -1.524) 6.890 10.223 ( -0.034 -2.630 -1.389) 2.974 10.780 ( -2.217 0.497 -1.842) 2.925 10.891 ( 1.273 2.808 0.473) 3.119 10.948 ( -3.553 -4.895 -2.220) 6.443 11.101 ( 1.468 -3.807 1.855) 4.482 ======================= Grid point 169 (85/156) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -5.607 11.681 6.528) 14.508 1.786 ( -2.765 10.241 2.481) 10.894 1.840 ( -2.636 1.777 -2.061) 3.788 2.024 ( 2.509 0.990 -3.473) 4.397 2.124 ( 1.980 2.838 5.278) 6.312 2.194 ( -0.490 2.995 -2.329) 3.826 2.396 ( -0.705 -11.888 0.932) 11.945 2.578 ( 0.091 -13.147 0.006) 13.148 2.906 ( -0.015 18.604 -0.194) 18.605 3.006 ( 1.029 20.338 -1.319) 20.407 3.396 ( -0.954 -1.276 0.536) 1.681 3.517 ( 1.269 -2.989 -0.514) 3.288 3.821 ( 1.362 10.097 -2.870) 10.585 3.964 ( 3.285 3.601 -2.704) 5.574 4.091 ( 1.722 9.705 -2.538) 10.178 4.263 ( 1.758 1.239 -7.150) 7.466 4.892 ( -2.145 -0.362 -0.665) 2.274 4.905 ( -0.782 -2.253 -4.473) 5.069 5.233 ( -0.820 1.415 2.742) 3.193 5.292 ( -0.295 -1.732 -3.899) 4.277 5.462 ( 2.308 1.492 5.104) 5.797 5.545 ( 4.848 -2.975 3.711) 6.791 5.954 ( -1.894 4.377 -0.232) 4.775 6.068 ( 0.027 -1.654 -0.063) 1.655 6.201 ( -7.474 3.652 3.464) 9.011 6.297 ( -6.888 -1.437 1.053) 7.115 6.534 ( -0.523 2.989 6.925) 7.560 6.591 ( -0.634 -0.078 3.973) 4.024 6.809 ( 6.842 0.105 4.969) 8.457 6.871 ( 2.694 -2.936 3.589) 5.363 7.074 ( -3.027 5.613 -0.384) 6.389 7.257 ( -1.572 -2.310 0.812) 2.910 7.325 ( 0.875 4.713 -4.224) 6.389 7.461 ( -2.330 -0.789 -7.077) 7.492 7.565 ( 1.502 1.000 -1.710) 2.486 7.617 ( 3.547 -2.389 -1.015) 4.396 8.121 ( -2.075 1.199 -0.858) 2.545 8.202 ( 1.198 -1.094 0.160) 1.630 9.139 ( 2.150 0.033 -0.381) 2.183 9.168 ( 2.284 -0.142 0.084) 2.290 9.800 ( -3.712 -2.037 2.136) 4.743 9.884 ( -3.069 -3.183 -0.255) 4.429 9.958 ( -2.527 4.051 0.204) 4.779 10.196 ( -1.177 -3.915 -1.751) 4.447 10.735 ( -1.258 0.312 -0.824) 1.535 10.891 ( -1.071 1.615 -0.365) 1.972 10.903 ( -0.309 -3.153 -0.651) 3.234 11.136 ( 0.988 -4.959 0.969) 5.149 ======================= Grid point 170 (86/156) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -5.324 13.931 6.295) 16.188 1.744 ( -2.199 15.017 -0.658) 15.192 1.828 ( -0.061 0.199 3.067) 3.074 2.031 ( 1.906 1.290 -3.652) 4.317 2.154 ( -1.125 3.299 -2.291) 4.171 2.195 ( 0.970 0.561 2.413) 2.661 2.400 ( -0.040 -12.953 1.800) 13.078 2.578 ( 0.154 -15.185 -0.101) 15.186 2.912 ( 0.311 19.867 0.786) 19.885 3.013 ( 1.169 21.840 -0.957) 21.893 3.388 ( -0.807 -0.885 1.270) 1.746 3.529 ( 0.808 -3.155 -0.954) 3.394 3.817 ( 1.201 11.562 -2.650) 11.922 3.997 ( 3.022 4.281 -3.339) 6.213 4.076 ( 0.002 7.862 -4.092) 8.863 4.209 ( 0.702 0.834 -8.323) 8.394 4.866 ( 1.025 -1.101 -2.713) 3.103 4.881 ( 2.040 -1.120 -1.767) 2.922 5.232 ( -2.228 0.002 1.245) 2.552 5.252 ( -2.194 -1.080 0.697) 2.543 5.570 ( 3.176 1.914 5.449) 6.592 5.680 ( 5.149 -3.954 2.896) 7.109 5.916 ( -0.434 4.379 -1.523) 4.656 6.036 ( -2.971 -0.276 -0.333) 3.002 6.131 ( -5.154 2.574 6.704) 8.839 6.207 ( -4.170 -2.190 3.147) 5.665 6.542 ( -3.688 2.003 5.015) 6.539 6.631 ( -0.837 0.271 5.824) 5.890 6.878 ( -2.051 4.792 1.689) 5.479 6.932 ( 1.404 -0.133 1.455) 2.026 7.079 ( 1.809 0.147 -0.857) 2.007 7.242 ( -1.479 -3.738 -0.306) 4.032 7.320 ( 1.739 3.501 -2.552) 4.669 7.375 ( 0.882 0.564 -5.356) 5.458 7.601 ( 4.407 3.673 -1.272) 5.877 7.672 ( 2.529 0.883 -1.349) 2.999 8.063 ( -2.445 1.144 -0.417) 2.732 8.197 ( -0.579 -2.764 -1.145) 3.047 9.168 ( 1.331 0.882 -0.220) 1.612 9.200 ( 0.841 0.296 0.219) 0.918 9.775 ( -1.248 -4.255 1.953) 4.846 9.838 ( -1.843 -4.543 0.078) 4.903 9.910 ( -2.644 3.879 -0.362) 4.708 10.158 ( -0.933 -5.485 -2.419) 6.066 10.725 ( -0.137 0.765 1.021) 1.283 10.878 ( -0.146 4.799 -0.773) 4.863 10.892 ( -0.298 -5.697 0.341) 5.715 11.147 ( 0.184 -6.117 -1.141) 6.225 ======================= Grid point 171 (87/156) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -2.380 -7.988 3.620) 9.087 1.725 ( -2.380 7.988 3.620) 9.087 2.015 ( 1.794 -6.326 0.885) 6.635 2.015 ( 1.794 6.326 0.885) 6.635 2.217 ( -0.546 -5.522 -0.906) 5.622 2.217 ( -0.546 5.522 -0.906) 5.622 2.287 ( -0.437 -12.856 -0.474) 12.872 2.287 ( -0.437 12.856 -0.474) 12.872 3.241 ( 0.737 -11.136 0.878) 11.195 3.241 ( 0.737 11.136 0.878) 11.195 3.380 ( -0.429 -10.981 -0.539) 11.002 3.380 ( -0.429 10.981 -0.539) 11.002 3.987 ( 0.777 -4.963 -3.381) 6.056 3.987 ( 0.777 4.963 -3.381) 6.056 4.135 ( 2.818 -3.410 -8.003) 9.144 4.135 ( 2.818 3.410 -8.003) 9.144 4.896 ( 3.442 -1.767 -1.891) 4.307 4.896 ( 3.442 1.767 -1.891) 4.307 5.198 ( -3.941 -1.099 2.522) 4.806 5.198 ( -3.941 1.099 2.522) 4.806 5.675 ( -0.431 -2.651 2.031) 3.367 5.675 ( -0.431 2.651 2.031) 3.367 5.986 ( 0.307 -0.539 -1.005) 1.181 5.986 ( 0.307 0.539 -1.005) 1.181 6.192 ( 0.565 -2.301 10.127) 10.401 6.192 ( 0.565 2.301 10.127) 10.401 6.592 ( -3.154 -4.439 4.725) 7.209 6.592 ( -3.154 4.439 4.725) 7.209 6.919 ( -3.128 -1.131 -0.049) 3.327 6.919 ( -3.128 1.131 -0.049) 3.327 7.090 ( -1.326 -4.494 -4.786) 6.697 7.090 ( -1.326 4.494 -4.786) 6.697 7.390 ( 3.827 -1.744 -1.197) 4.373 7.390 ( 3.827 1.744 -1.197) 4.373 7.692 ( -0.530 -0.806 -2.082) 2.294 7.692 ( -0.530 0.806 -2.082) 2.294 8.118 ( 1.967 -4.120 0.847) 4.643 8.118 ( 1.967 4.120 0.847) 4.643 9.197 ( -0.303 -0.429 -0.541) 0.754 9.197 ( -0.303 0.429 -0.541) 0.754 9.747 ( -0.827 -2.329 2.379) 3.431 9.747 ( -0.827 2.329 2.379) 3.431 9.997 ( 0.844 -7.002 -2.605) 7.519 9.997 ( 0.844 7.002 -2.605) 7.519 10.795 ( -0.004 -4.520 1.882) 4.896 10.795 ( -0.004 4.520 1.882) 4.896 10.994 ( 0.125 -7.041 -2.137) 7.359 10.994 ( 0.125 7.041 -2.137) 7.359 ======================= Grid point 173 (88/156) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -1.703 -7.140 3.522) 8.141 1.722 ( -1.703 7.140 3.522) 8.141 2.056 ( 1.105 -1.749 1.611) 2.622 2.056 ( 1.105 1.749 1.611) 2.622 2.189 ( -1.016 -5.247 -1.423) 5.530 2.189 ( -1.016 5.247 -1.423) 5.530 2.285 ( 0.833 -11.153 -0.555) 11.197 2.285 ( 0.833 11.153 -0.555) 11.197 3.252 ( -0.433 -12.908 0.917) 12.947 3.252 ( -0.433 12.908 0.917) 12.947 3.362 ( -0.984 -11.404 -0.868) 11.479 3.362 ( -0.984 11.404 -0.868) 11.479 3.964 ( 0.952 -3.122 -3.272) 4.621 3.964 ( 0.952 3.122 -3.272) 4.621 4.143 ( 5.413 -4.592 -7.306) 10.187 4.143 ( 5.413 4.592 -7.306) 10.187 4.924 ( 2.082 -2.532 -3.040) 4.470 4.924 ( 2.082 2.532 -3.040) 4.470 5.166 ( -2.294 -0.588 3.251) 4.022 5.166 ( -2.294 0.588 3.251) 4.022 5.677 ( -1.225 -2.566 3.059) 4.176 5.677 ( -1.225 2.566 3.059) 4.176 5.983 ( 0.492 -4.005 -0.862) 4.127 5.983 ( 0.492 4.005 -0.862) 4.127 6.323 ( 1.029 -3.818 11.585) 12.241 6.323 ( 1.029 3.818 11.585) 12.241 6.577 ( -2.280 -5.258 3.088) 6.510 6.577 ( -2.280 5.258 3.088) 6.510 6.789 ( -8.882 -1.767 -2.785) 9.475 6.789 ( -8.882 1.767 -2.785) 9.475 7.083 ( 3.887 -3.197 -2.511) 5.624 7.083 ( 3.887 3.197 -2.511) 5.624 7.456 ( 4.481 -3.368 -1.193) 5.731 7.456 ( 4.481 3.368 -1.193) 5.731 7.635 ( -2.983 -1.803 -1.512) 3.800 7.635 ( -2.983 1.803 -1.512) 3.800 8.151 ( 0.346 -1.963 -0.639) 2.093 8.151 ( 0.346 1.963 -0.639) 2.093 9.180 ( -0.986 -0.713 -0.283) 1.249 9.180 ( -0.986 0.713 -0.283) 1.249 9.760 ( 0.030 -3.904 1.825) 4.310 9.760 ( 0.030 3.904 1.825) 4.310 10.022 ( 4.418 -5.922 -2.068) 7.672 10.022 ( 4.418 5.922 -2.068) 7.672 10.821 ( 0.847 -4.204 2.555) 4.992 10.821 ( 0.847 4.204 2.555) 4.992 10.973 ( -0.036 -5.426 -2.707) 6.064 10.973 ( -0.036 5.426 -2.707) 6.064 ======================= Grid point 175 (89/156) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -1.152 -6.109 3.730) 7.250 1.730 ( -1.152 6.109 3.730) 7.250 2.066 ( -0.990 -4.565 0.147) 4.674 2.066 ( -0.990 4.565 0.147) 4.674 2.177 ( 0.528 -9.922 0.085) 9.936 2.177 ( 0.528 9.922 0.085) 9.936 2.301 ( 1.486 -9.278 -0.772) 9.428 2.301 ( 1.486 9.278 -0.772) 9.428 3.241 ( -1.290 -12.978 -0.010) 13.042 3.241 ( -1.290 12.978 -0.010) 13.042 3.334 ( -1.148 -10.724 -0.641) 10.804 3.334 ( -1.148 10.724 -0.641) 10.804 3.979 ( 3.318 -3.402 -1.753) 5.065 3.979 ( 3.318 3.402 -1.753) 5.065 4.161 ( 3.391 -4.802 -6.721) 8.929 4.161 ( 3.391 4.802 -6.721) 8.929 4.929 ( 2.586 -3.025 -3.564) 5.342 4.929 ( 2.586 3.025 -3.564) 5.342 5.170 ( -0.648 -2.162 2.495) 3.364 5.170 ( -0.648 2.162 2.495) 3.364 5.691 ( -1.211 -1.794 3.757) 4.336 5.691 ( -1.211 1.794 3.757) 4.336 5.987 ( 0.366 -6.283 -0.551) 6.318 5.987 ( 0.366 6.283 -0.551) 6.318 6.377 ( -4.661 -3.828 6.437) 8.821 6.377 ( -4.661 3.828 6.437) 8.821 6.585 ( -3.204 -4.623 3.895) 6.842 6.585 ( -3.204 4.623 3.895) 6.842 6.649 ( -2.325 -1.098 2.149) 3.351 6.649 ( -2.325 1.098 2.149) 3.351 7.136 ( 3.848 -2.783 -2.863) 5.545 7.136 ( 3.848 2.783 -2.863) 5.545 7.503 ( 2.362 -4.917 -3.236) 6.343 7.503 ( 2.362 4.917 -3.236) 6.343 7.586 ( -0.963 -1.256 -0.086) 1.585 7.586 ( -0.963 1.256 -0.086) 1.585 8.121 ( -1.556 -1.271 -1.624) 2.584 8.121 ( -1.556 1.271 -1.624) 2.584 9.152 ( -2.253 -1.011 -0.146) 2.473 9.152 ( -2.253 1.011 -0.146) 2.473 9.790 ( 2.148 -4.840 1.137) 5.416 9.790 ( 2.148 4.840 1.137) 5.416 10.091 ( 4.430 -4.670 -1.267) 6.560 10.091 ( 4.430 4.670 -1.267) 6.560 10.875 ( 2.363 -4.660 2.745) 5.902 10.875 ( 2.363 4.660 2.745) 5.902 10.943 ( -0.275 -5.419 -2.794) 6.103 10.943 ( -0.275 5.419 -2.794) 6.103 ======================= Grid point 177 (90/156) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -0.786 -4.069 3.686) 5.547 1.748 ( -0.786 4.069 3.686) 5.547 2.041 ( -1.413 -4.283 0.035) 4.510 2.041 ( -1.413 4.283 0.035) 4.510 2.194 ( 0.731 -6.973 0.295) 7.018 2.194 ( 0.731 6.973 0.295) 7.018 2.319 ( 1.396 -7.464 -0.747) 7.630 2.319 ( 1.396 7.464 -0.747) 7.630 3.211 ( -1.472 -11.727 -0.914) 11.854 3.211 ( -1.472 11.727 -0.914) 11.854 3.320 ( -0.150 -9.629 0.375) 9.637 3.320 ( -0.150 9.629 0.375) 9.637 4.033 ( 3.900 -4.505 -1.318) 6.103 4.033 ( 3.900 4.505 -1.318) 6.103 4.134 ( 0.548 -4.921 -6.240) 7.965 4.134 ( 0.548 4.921 -6.240) 7.965 4.952 ( 2.768 -2.498 -2.332) 4.398 4.952 ( 2.768 2.498 -2.332) 4.398 5.187 ( 1.676 -3.558 -0.389) 3.952 5.187 ( 1.676 3.558 -0.389) 3.952 5.687 ( -2.469 -1.535 2.056) 3.561 5.687 ( -2.469 1.535 2.056) 3.561 5.986 ( 0.263 -5.641 0.194) 5.651 5.986 ( 0.263 5.641 0.194) 5.651 6.333 ( -5.744 -1.575 5.574) 8.157 6.333 ( -5.744 1.575 5.574) 8.157 6.525 ( -4.724 -0.197 4.069) 6.238 6.525 ( -4.724 0.197 4.069) 6.238 6.726 ( 2.548 -3.709 5.569) 7.160 6.726 ( 2.548 3.709 5.569) 7.160 7.129 ( -1.070 -1.916 -4.357) 4.878 7.129 ( -1.070 1.916 -4.357) 4.878 7.498 ( 2.256 -3.409 -3.651) 5.481 7.498 ( 2.256 3.409 -3.651) 5.481 7.599 ( 2.309 -2.246 -1.017) 3.377 7.599 ( 2.309 2.246 -1.017) 3.377 8.094 ( -0.799 -2.031 0.306) 2.204 8.094 ( -0.799 2.031 0.306) 2.204 9.100 ( -3.104 -0.589 -0.433) 3.189 9.100 ( -3.104 0.589 -0.433) 3.189 9.852 ( 3.302 -5.409 1.449) 6.501 9.852 ( 3.302 5.409 1.449) 6.501 10.140 ( 2.381 -3.423 -1.174) 4.332 10.140 ( 2.381 3.423 -1.174) 4.332 10.887 ( -0.891 -3.812 -2.289) 4.535 10.887 ( -0.891 3.812 -2.289) 4.535 10.972 ( 3.553 -6.816 1.781) 7.891 10.972 ( 3.553 6.816 1.781) 7.891 ======================= Grid point 179 (91/156) ======================= q-point: ( 0.40 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -1.186 -0.223 3.121) 3.346 1.764 ( -1.186 0.223 3.121) 3.346 2.028 ( -0.727 -2.532 1.276) 2.927 2.028 ( -0.727 2.532 1.276) 2.927 2.198 ( 0.016 -3.660 -0.882) 3.765 2.198 ( 0.016 3.660 -0.882) 3.765 2.338 ( 1.225 -6.735 -0.014) 6.845 2.338 ( 1.225 6.735 -0.014) 6.845 3.181 ( -0.776 -10.881 -0.943) 10.949 3.181 ( -0.776 10.881 -0.943) 10.949 3.330 ( 0.347 -8.536 0.871) 8.587 3.330 ( 0.347 8.536 0.871) 8.587 4.074 ( 2.202 -5.140 -2.459) 6.109 4.074 ( 2.202 5.140 -2.459) 6.109 4.088 ( 1.130 -4.844 -5.164) 7.170 4.088 ( 1.130 4.844 -5.164) 7.170 4.971 ( 0.840 -0.690 -0.458) 1.180 4.971 ( 0.840 0.690 -0.458) 1.180 5.221 ( 4.071 -3.931 -3.646) 6.731 5.221 ( 4.071 3.931 -3.646) 6.731 5.651 ( -2.480 -1.657 0.498) 3.023 5.651 ( -2.480 1.657 0.498) 3.023 5.995 ( -1.056 -4.832 0.722) 4.999 5.995 ( -1.056 4.832 0.722) 4.999 6.284 ( -4.753 -1.521 5.434) 7.378 6.284 ( -4.753 1.521 5.434) 7.378 6.509 ( -2.919 -0.808 6.318) 7.006 6.509 ( -2.919 0.808 6.318) 7.006 6.783 ( -0.671 -3.482 1.495) 3.848 6.783 ( -0.671 3.482 1.495) 3.848 7.072 ( -0.277 -1.945 -0.759) 2.106 7.072 ( -0.277 1.945 -0.759) 2.106 7.515 ( 3.099 -1.395 -4.433) 5.586 7.515 ( 3.099 1.395 -4.433) 5.586 7.642 ( 3.132 -0.914 -0.764) 3.350 7.642 ( 3.132 0.914 -0.764) 3.350 8.084 ( -1.380 -1.745 0.816) 2.370 8.084 ( -1.380 1.745 0.816) 2.370 9.051 ( -1.866 -0.333 -0.088) 1.898 9.051 ( -1.866 0.333 -0.088) 1.898 9.919 ( 2.085 -5.551 1.966) 6.247 9.919 ( 2.085 5.551 1.966) 6.247 10.156 ( 0.973 -2.428 -1.336) 2.937 10.156 ( 0.973 2.428 -1.336) 2.937 10.859 ( 0.050 -5.232 -1.397) 5.415 10.859 ( 0.050 5.232 -1.397) 5.415 11.034 ( 1.803 -7.602 0.208) 7.816 11.034 ( 1.803 7.602 0.208) 7.816 ======================= Grid point 181 (92/156) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -2.239 -4.041 2.994) 5.505 1.761 ( -2.239 4.041 2.994) 5.505 2.036 ( 0.164 -3.325 0.953) 3.463 2.036 ( 0.164 3.325 0.953) 3.463 2.185 ( -0.401 -7.008 -0.688) 7.054 2.185 ( -0.401 7.008 -0.688) 7.054 2.358 ( 0.704 -7.170 0.426) 7.217 2.358 ( 0.704 7.170 0.426) 7.217 3.169 ( 0.276 -9.346 -0.822) 9.387 3.169 ( 0.276 9.346 -0.822) 9.387 3.341 ( -0.067 -7.446 0.996) 7.513 3.341 ( -0.067 7.446 0.996) 7.513 4.053 ( -0.356 -5.121 -3.552) 6.242 4.053 ( -0.356 5.121 -3.552) 6.242 4.104 ( 4.717 -4.397 -4.288) 7.744 4.104 ( 4.717 4.397 -4.288) 7.744 4.975 ( -0.378 -0.792 0.481) 1.001 4.975 ( -0.378 0.792 0.481) 1.001 5.254 ( 4.107 -3.891 -4.999) 7.550 5.254 ( 4.107 3.891 -4.999) 7.550 5.615 ( -3.046 -1.296 0.966) 3.448 5.615 ( -3.046 1.296 0.966) 3.448 5.937 ( -3.231 -4.361 -1.847) 5.733 5.937 ( -3.231 4.361 -1.847) 5.733 6.298 ( -0.667 -0.872 6.750) 6.839 6.298 ( -0.667 0.872 6.750) 6.839 6.523 ( -2.801 -1.791 6.916) 7.674 6.523 ( -2.801 1.791 6.916) 7.674 6.741 ( -2.463 -2.660 -2.065) 4.172 6.741 ( -2.463 2.660 -2.065) 4.172 7.126 ( 3.393 -3.313 3.942) 6.166 7.126 ( 3.393 3.313 3.942) 6.166 7.518 ( 2.022 -2.007 -4.358) 5.206 7.518 ( 2.022 2.007 -4.358) 5.206 7.665 ( -0.012 -3.640 -1.474) 3.927 7.665 ( -0.012 3.640 -1.474) 3.927 8.066 ( -0.616 -1.710 0.241) 1.833 8.066 ( -0.616 1.710 0.241) 1.833 9.041 ( 0.479 -0.526 0.498) 0.868 9.041 ( 0.479 0.526 0.498) 0.868 9.950 ( -0.927 -4.454 2.343) 5.118 9.950 ( -0.927 4.454 2.343) 5.118 10.155 ( 0.646 -2.685 -1.671) 3.227 10.155 ( 0.646 2.685 -1.671) 3.227 10.870 ( 1.668 -4.862 0.152) 5.142 10.870 ( 1.668 4.862 0.152) 5.142 11.030 ( -1.314 -6.723 -1.625) 7.040 11.030 ( -1.314 6.723 -1.625) 7.040 ======================= Grid point 183 (93/156) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -2.657 -5.969 3.849) 7.583 1.748 ( -2.657 5.969 3.849) 7.583 2.037 ( 0.258 -2.028 -1.825) 2.740 2.037 ( 0.258 2.028 -1.825) 2.740 2.179 ( -0.475 -9.973 1.223) 10.059 2.179 ( -0.475 9.973 1.223) 10.059 2.367 ( -0.118 -8.142 0.350) 8.151 2.367 ( -0.118 8.142 0.350) 8.151 3.173 ( 0.966 -7.092 -0.976) 7.224 3.173 ( 0.966 7.092 -0.976) 7.224 3.352 ( 0.188 -6.403 1.388) 6.554 3.352 ( 0.188 6.403 1.388) 6.554 4.000 ( -0.896 -4.188 -4.809) 6.440 4.000 ( -0.896 4.188 -4.809) 6.440 4.167 ( 6.026 -5.487 -3.617) 8.917 4.167 ( 6.026 5.487 -3.617) 8.917 4.966 ( -1.171 -0.972 0.449) 1.586 4.966 ( -1.171 0.972 0.449) 1.586 5.275 ( 3.244 -3.578 -4.369) 6.513 5.275 ( 3.244 3.578 -4.369) 6.513 5.534 ( -6.400 -0.775 0.249) 6.451 5.534 ( -6.400 0.775 0.249) 6.451 5.929 ( 3.367 -3.938 0.374) 5.195 5.929 ( 3.367 3.938 0.374) 5.195 6.347 ( -1.310 -0.911 6.801) 6.986 6.347 ( -1.310 0.911 6.801) 6.986 6.524 ( -3.014 -3.662 3.979) 6.191 6.524 ( -3.014 3.662 3.979) 6.191 6.693 ( -1.509 -2.955 0.390) 3.341 6.693 ( -1.509 2.955 0.390) 3.341 7.214 ( 2.304 -3.249 2.360) 4.630 7.214 ( 2.304 3.249 2.360) 4.630 7.507 ( 0.673 -3.584 -3.347) 4.949 7.507 ( 0.673 3.584 -3.347) 4.949 7.618 ( -2.362 -4.460 -2.500) 5.633 7.618 ( -2.362 4.460 -2.500) 5.633 8.082 ( 1.995 -2.015 0.781) 2.941 8.082 ( 1.995 2.015 0.781) 2.941 9.068 ( 1.999 -0.402 0.242) 2.053 9.068 ( 1.999 0.402 0.242) 2.053 9.930 ( -3.660 -2.917 2.464) 5.289 9.930 ( -3.660 2.917 2.464) 5.289 10.150 ( 0.451 -4.774 -1.689) 5.084 10.150 ( 0.451 4.774 -1.689) 5.084 10.891 ( -0.345 -1.123 -1.262) 1.724 10.891 ( -0.345 1.123 -1.262) 1.724 10.985 ( -1.071 -2.166 -0.254) 2.429 10.985 ( -1.071 2.166 -0.254) 2.429 ======================= Grid point 185 (94/156) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -2.528 -6.819 4.820) 8.724 1.743 ( -2.528 6.819 4.820) 8.724 2.015 ( 0.161 -2.535 -3.328) 4.187 2.015 ( 0.161 2.535 -3.328) 4.187 2.187 ( -0.256 -9.332 1.771) 9.502 2.187 ( -0.256 9.332 1.771) 9.502 2.359 ( -1.085 -9.656 0.046) 9.717 2.359 ( -1.085 9.656 0.046) 9.717 3.183 ( 1.250 -6.688 -1.065) 6.887 3.183 ( 1.250 6.688 -1.065) 6.887 3.373 ( 0.565 -6.363 1.291) 6.517 3.373 ( 0.565 6.363 1.291) 6.517 3.954 ( 0.937 -3.517 -4.157) 5.525 3.954 ( 0.937 3.517 -4.157) 5.525 4.226 ( 4.405 -5.474 -4.329) 8.253 4.226 ( 4.405 5.474 -4.329) 8.253 4.938 ( -2.087 -0.475 -0.746) 2.267 4.938 ( -2.087 0.475 -0.746) 2.267 5.281 ( 0.694 -2.831 -2.456) 3.812 5.281 ( 0.694 2.831 -2.456) 3.812 5.453 ( -2.152 -1.314 1.365) 2.867 5.453 ( -2.152 1.314 1.365) 2.867 6.007 ( 2.809 -2.529 1.355) 4.016 6.007 ( 2.809 2.529 1.355) 4.016 6.351 ( -5.143 -2.089 4.106) 6.905 6.351 ( -5.143 2.089 4.106) 6.905 6.522 ( 0.514 -3.170 3.602) 4.826 6.522 ( 0.514 3.170 3.602) 4.826 6.710 ( 1.345 -3.429 4.166) 5.561 6.710 ( 1.345 3.429 4.166) 5.561 7.231 ( -1.482 -3.559 0.090) 3.856 7.231 ( -1.482 3.559 0.090) 3.856 7.473 ( -0.485 -6.087 -4.641) 7.670 7.473 ( -0.485 6.087 -4.641) 7.670 7.570 ( -0.332 -0.950 -1.796) 2.059 7.570 ( -0.332 0.950 -1.796) 2.059 8.137 ( 2.596 -1.274 0.997) 3.059 8.137 ( 2.596 1.274 0.997) 3.059 9.109 ( 2.572 -0.709 -0.283) 2.683 9.109 ( 2.572 0.709 -0.283) 2.683 9.876 ( -4.809 -2.676 2.278) 5.956 9.876 ( -4.809 2.676 2.278) 5.956 10.131 ( -1.070 -6.524 -1.709) 6.828 10.131 ( -1.070 6.524 -1.709) 6.828 10.833 ( -2.687 -4.608 -2.197) 5.769 10.833 ( -2.687 4.608 -2.197) 5.769 11.000 ( 0.858 -5.966 1.189) 6.144 11.000 ( 0.858 5.966 1.189) 6.144 ======================= Grid point 187 (95/156) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -2.707 -7.442 4.955) 9.342 1.743 ( -2.707 7.442 4.955) 9.342 1.991 ( 0.509 -5.814 -2.791) 6.470 1.991 ( 0.509 5.814 -2.791) 6.470 2.203 ( 0.469 -6.496 1.280) 6.637 2.203 ( 0.469 6.496 1.280) 6.637 2.333 ( -1.599 -11.180 -0.286) 11.298 2.333 ( -1.599 11.180 -0.286) 11.298 3.197 ( 1.367 -7.852 -0.750) 8.006 3.197 ( 1.367 7.852 -0.750) 8.006 3.388 ( 0.205 -7.853 0.387) 7.865 3.388 ( 0.205 7.853 0.387) 7.865 3.960 ( 2.951 -3.958 -2.817) 5.684 3.960 ( 2.951 3.958 -2.817) 5.684 4.233 ( 1.578 -4.573 -5.545) 7.358 4.233 ( 1.578 4.573 -5.545) 7.358 4.885 ( -1.605 -0.026 -2.461) 2.938 4.885 ( -1.605 0.026 -2.461) 2.938 5.261 ( -1.522 -1.496 0.555) 2.205 5.261 ( -1.522 1.496 0.555) 2.205 5.497 ( 3.792 -2.145 3.678) 5.702 5.497 ( 3.792 2.145 3.678) 5.702 6.027 ( -0.490 -2.923 -0.833) 3.078 6.027 ( -0.490 2.923 -0.833) 3.078 6.260 ( -7.622 -2.410 2.730) 8.447 6.260 ( -7.622 2.410 2.730) 8.447 6.577 ( -0.715 -1.609 5.697) 5.963 6.577 ( -0.715 1.609 5.697) 5.963 6.823 ( 5.975 -1.609 4.479) 7.638 6.823 ( 5.975 1.609 4.479) 7.638 7.183 ( -3.264 -5.138 0.169) 6.089 7.183 ( -3.264 5.138 0.169) 6.089 7.415 ( -0.507 -3.998 -5.496) 6.816 7.415 ( -0.507 3.998 -5.496) 6.816 7.582 ( 3.462 -1.226 -1.317) 3.901 7.582 ( 3.462 1.226 -1.317) 3.901 8.162 ( -0.355 -2.605 -0.787) 2.745 8.162 ( -0.355 2.605 -0.787) 2.745 9.153 ( 2.650 -1.139 -0.131) 2.888 9.153 ( 2.650 1.139 -0.131) 2.888 9.810 ( -4.627 -2.860 1.712) 5.702 9.810 ( -4.627 2.860 1.712) 5.702 10.084 ( -2.362 -7.172 -1.628) 7.725 10.084 ( -2.362 7.172 -1.628) 7.725 10.788 ( -1.052 -4.814 -0.291) 4.936 10.788 ( -1.052 4.814 -0.291) 4.936 11.015 ( 0.152 -7.097 -0.016) 7.098 11.015 ( 0.152 7.097 -0.016) 7.098 ======================= Grid point 189 (96/156) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -2.853 -8.146 4.252) 9.622 1.736 ( -2.853 8.146 4.252) 9.622 1.988 ( 1.260 -7.369 -1.040) 7.548 1.988 ( 1.260 7.369 -1.040) 7.548 2.221 ( 0.383 -4.379 0.365) 4.411 2.221 ( 0.383 4.379 0.365) 4.411 2.304 ( -1.128 -12.068 -0.417) 12.128 2.304 ( -1.128 12.068 -0.417) 12.128 3.217 ( 1.295 -9.225 0.022) 9.316 3.217 ( 1.295 9.225 0.022) 9.316 3.388 ( -0.119 -9.662 -0.221) 9.666 3.388 ( -0.119 9.662 -0.221) 9.666 3.986 ( 2.571 -5.281 -2.957) 6.576 3.986 ( 2.571 5.281 -2.957) 6.576 4.186 ( 0.046 -3.355 -6.946) 7.714 4.186 ( 0.046 3.355 -6.946) 7.714 4.863 ( 1.845 -0.706 -2.334) 3.057 4.863 ( 1.845 0.706 -2.334) 3.057 5.238 ( -2.826 -0.496 2.155) 3.589 5.238 ( -2.826 0.496 2.155) 3.589 5.615 ( 4.197 -2.826 4.199) 6.575 5.615 ( 4.197 2.826 4.199) 6.575 5.998 ( -0.611 -3.590 -1.809) 4.066 5.998 ( -0.611 3.590 -1.809) 4.066 6.170 ( -5.790 -1.670 5.199) 7.959 6.170 ( -5.790 1.670 5.199) 7.959 6.596 ( -2.699 -3.123 5.629) 6.980 6.596 ( -2.699 3.123 5.629) 6.980 6.925 ( 1.414 -0.732 1.685) 2.318 6.925 ( 1.414 0.732 1.685) 2.318 7.147 ( -1.031 -5.488 -0.975) 5.669 7.147 ( -1.031 5.488 -0.975) 5.669 7.369 ( 0.803 -1.324 -3.831) 4.133 7.369 ( 0.803 1.324 -3.831) 4.133 7.658 ( 5.236 -2.114 -0.789) 5.702 7.658 ( 5.236 2.114 -0.789) 5.702 8.121 ( -1.980 -4.311 -1.327) 4.926 8.121 ( -1.980 4.311 -1.327) 4.926 9.191 ( 1.468 -1.147 -0.085) 1.865 9.191 ( 1.468 1.147 -0.085) 1.865 9.758 ( -2.778 -2.354 1.657) 4.000 9.758 ( -2.778 2.354 1.657) 4.000 10.029 ( -1.825 -7.277 -1.820) 7.720 10.029 ( -1.825 7.277 -1.820) 7.720 10.783 ( -0.215 -4.900 1.102) 5.027 10.783 ( -0.215 4.900 1.102) 5.027 11.009 ( -0.049 -7.771 -1.290) 7.877 11.009 ( -0.049 7.771 -1.290) 7.877 ======================= Grid point 231 (97/156) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 5.483 0.000 15.469) 16.412 0.939 ( 5.389 0.000 18.941) 19.693 1.130 ( -4.533 0.000 -6.142) 7.633 1.356 ( -5.862 0.000 -16.332) 17.352 1.543 ( 1.330 0.000 29.744) 29.774 2.050 ( -0.462 0.000 -13.856) 13.864 2.231 ( -2.096 0.000 0.104) 2.099 2.237 ( 0.680 0.000 -2.461) 2.553 2.643 ( -0.436 0.000 0.394) 0.587 2.726 ( 3.493 0.000 -6.332) 7.232 2.991 ( 2.539 0.000 0.527) 2.593 3.046 ( -2.501 0.000 -4.567) 5.207 3.278 ( -2.236 0.000 7.464) 7.791 3.442 ( 0.779 0.000 -7.327) 7.368 3.772 ( 0.108 0.000 3.541) 3.542 3.796 ( 0.448 0.000 0.929) 1.031 5.008 ( 4.849 0.000 1.680) 5.131 5.061 ( -1.388 0.000 -3.663) 3.917 5.270 ( 6.646 0.000 -0.664) 6.679 5.338 ( -12.327 0.000 -6.484) 13.928 5.624 ( 1.930 0.000 1.813) 2.648 5.680 ( -0.967 0.000 -3.166) 3.310 6.045 ( 10.910 0.000 5.669) 12.295 6.154 ( -10.222 0.000 0.942) 10.265 6.209 ( -7.064 0.000 -1.866) 7.306 6.261 ( 3.174 0.000 -1.006) 3.330 6.332 ( -11.112 0.000 8.082) 13.741 6.473 ( 3.104 0.000 -4.807) 5.722 7.009 ( -4.635 0.000 6.642) 8.099 7.044 ( -5.842 0.000 7.676) 9.646 7.125 ( 7.374 0.000 -0.130) 7.375 7.158 ( 12.864 0.000 -3.782) 13.408 7.358 ( 3.766 0.000 -0.631) 3.819 7.376 ( -10.333 0.000 -1.194) 10.402 7.418 ( 0.186 0.000 -2.790) 2.796 7.422 ( 7.605 0.000 -4.354) 8.763 8.151 ( -6.718 0.000 3.241) 7.459 8.210 ( 3.089 0.000 -2.094) 3.732 9.088 ( -0.816 0.000 0.151) 0.829 9.095 ( 0.665 0.000 -0.462) 0.809 9.906 ( 0.747 0.000 0.325) 0.814 9.917 ( -0.600 0.000 -0.803) 1.003 10.129 ( -1.144 0.000 3.278) 3.472 10.195 ( 1.066 0.000 -2.810) 3.006 10.898 ( -0.333 0.000 0.990) 1.045 10.919 ( 0.390 0.000 -0.908) 0.988 11.036 ( 0.383 0.000 1.298) 1.353 11.066 ( 0.091 0.000 -1.411) 1.414 ======================= Grid point 232 (98/156) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -1.226 0.000 -11.042) 11.110 1.087 ( 6.089 0.000 0.686) 6.128 1.137 ( 0.107 0.000 -6.240) 6.241 1.226 ( 3.329 0.000 19.444) 19.727 1.874 ( 6.252 0.000 18.310) 19.348 1.919 ( 5.566 0.000 -20.024) 20.783 2.167 ( -4.212 0.000 1.707) 4.544 2.218 ( -3.251 0.000 1.559) 3.605 2.654 ( 1.534 0.000 0.094) 1.537 2.734 ( 3.594 0.000 -5.664) 6.708 2.973 ( -1.215 0.000 -2.643) 2.909 3.044 ( 1.749 0.000 1.855) 2.550 3.316 ( -1.926 0.000 8.843) 9.050 3.396 ( 1.190 0.000 -6.538) 6.646 3.786 ( -0.950 0.000 0.925) 1.326 3.795 ( -0.377 0.000 -1.125) 1.186 4.983 ( -2.353 0.000 -4.899) 5.435 5.071 ( 1.950 0.000 -0.644) 2.054 5.169 ( -4.015 0.000 -0.744) 4.084 5.470 ( 11.416 0.000 6.825) 13.301 5.628 ( -1.447 0.000 -3.790) 4.057 5.656 ( -0.340 0.000 3.260) 3.277 5.926 ( -7.999 0.000 -3.051) 8.561 6.177 ( -2.818 0.000 3.005) 4.120 6.267 ( -7.008 0.000 11.903) 13.813 6.286 ( 1.925 0.000 -3.298) 3.818 6.304 ( 9.123 0.000 6.449) 11.172 6.516 ( 3.712 0.000 2.284) 4.358 6.910 ( -11.245 0.000 -0.913) 11.282 6.984 ( -6.755 0.000 2.634) 7.250 7.162 ( 1.978 0.000 -7.950) 8.193 7.190 ( -7.445 0.000 0.505) 7.462 7.239 ( 3.268 0.000 -4.383) 5.467 7.356 ( -1.411 0.000 -0.649) 1.553 7.394 ( 1.820 0.000 -0.698) 1.949 7.566 ( 7.927 0.000 -3.857) 8.816 8.168 ( 3.878 0.000 4.744) 6.128 8.293 ( 6.241 0.000 -0.573) 6.267 9.071 ( -1.325 0.000 0.434) 1.394 9.099 ( 0.109 0.000 -0.206) 0.233 9.896 ( -0.960 0.000 -0.460) 1.065 9.917 ( 0.121 0.000 0.256) 0.283 10.123 ( -2.770 0.000 3.069) 4.134 10.170 ( -1.002 0.000 -2.891) 3.060 10.910 ( 0.810 0.000 1.143) 1.401 10.922 ( 0.849 0.000 -1.096) 1.386 11.052 ( 0.267 0.000 0.875) 0.915 11.055 ( 0.380 0.000 -1.532) 1.579 ======================= Grid point 233 (99/156) ======================= q-point: ( 0.20 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 3.319 0.000 -10.427) 10.942 1.081 ( 11.154 0.000 -10.487) 15.309 1.292 ( 5.025 0.000 5.550) 7.487 1.426 ( 0.126 0.000 16.356) 16.356 1.857 ( -12.643 0.000 0.197) 12.644 1.908 ( 13.035 0.000 -17.495) 21.817 2.155 ( -5.793 0.000 2.276) 6.224 2.275 ( 6.427 0.000 7.245) 9.685 2.696 ( 3.133 0.000 -0.048) 3.134 2.747 ( 3.423 0.000 -4.665) 5.786 2.969 ( 1.946 0.000 0.037) 1.946 3.075 ( -0.447 0.000 1.993) 2.043 3.364 ( 1.632 0.000 -5.408) 5.649 3.374 ( -1.530 0.000 10.494) 10.605 3.755 ( -2.260 0.000 -1.403) 2.660 3.767 ( -0.609 0.000 -2.747) 2.814 4.927 ( 0.647 0.000 -3.623) 3.680 5.075 ( -0.719 0.000 -1.163) 1.367 5.125 ( -2.187 0.000 0.848) 2.346 5.559 ( -0.887 0.000 -4.443) 4.530 5.691 ( 3.890 0.000 4.035) 5.605 5.698 ( -0.308 0.000 7.968) 7.974 5.842 ( -0.022 0.000 -0.945) 0.945 6.162 ( -1.025 0.000 1.885) 2.145 6.283 ( -0.672 0.000 -0.781) 1.030 6.287 ( -4.093 0.000 12.495) 13.148 6.373 ( -2.342 0.000 -1.957) 3.052 6.612 ( 0.338 0.000 5.808) 5.818 6.644 ( -9.698 0.000 -8.292) 12.760 6.942 ( -0.975 0.000 6.337) 6.411 7.087 ( -2.976 0.000 -5.982) 6.682 7.133 ( -3.209 0.000 3.878) 5.034 7.197 ( -2.977 0.000 -2.938) 4.183 7.343 ( 4.127 0.000 -7.459) 8.525 7.538 ( 13.871 0.000 3.175) 14.230 7.594 ( -0.356 0.000 -3.845) 3.862 8.315 ( 7.738 0.000 2.499) 8.131 8.360 ( 1.468 0.000 -1.630) 2.193 9.052 ( -1.488 0.000 0.843) 1.710 9.092 ( -0.773 0.000 -0.264) 0.817 9.884 ( -0.300 0.000 0.380) 0.484 9.913 ( -0.673 0.000 -0.127) 0.685 10.091 ( -3.794 0.000 2.616) 4.609 10.110 ( -2.728 0.000 -2.837) 3.936 10.926 ( 0.723 0.000 -1.073) 1.293 10.945 ( 1.456 0.000 1.322) 1.967 11.058 ( 1.237 0.000 -0.663) 1.404 11.062 ( 0.034 0.000 0.872) 0.873 ======================= Grid point 234 (100/156) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 7.429 0.000 -4.958) 8.931 1.269 ( 16.096 0.000 -4.620) 16.746 1.377 ( 2.135 0.000 0.590) 2.215 1.454 ( -8.631 0.000 2.296) 8.931 1.697 ( -7.865 0.000 12.940) 15.143 2.034 ( 8.712 0.000 -6.742) 11.017 2.061 ( -0.678 0.000 -3.339) 3.407 2.378 ( 2.361 0.000 -1.630) 2.869 2.759 ( 4.073 0.000 -0.167) 4.076 2.773 ( 4.179 0.000 -4.183) 5.913 3.020 ( 2.276 0.000 1.447) 2.697 3.055 ( -3.332 0.000 0.871) 3.445 3.365 ( 2.972 0.000 -2.997) 4.221 3.448 ( -1.776 0.000 11.194) 11.334 3.689 ( -2.979 0.000 -2.589) 3.946 3.732 ( 0.111 0.000 -3.536) 3.537 4.916 ( 0.527 0.000 -3.096) 3.140 5.017 ( -3.475 0.000 -3.058) 4.629 5.102 ( -1.277 0.000 1.655) 2.091 5.532 ( 2.029 0.000 -4.239) 4.699 5.651 ( -4.619 0.000 -5.304) 7.033 5.771 ( -1.882 0.000 9.878) 10.055 5.883 ( 3.851 0.000 0.362) 3.868 6.133 ( -9.057 0.000 -4.252) 10.006 6.188 ( 1.865 0.000 2.048) 2.770 6.340 ( -2.863 0.000 12.104) 12.438 6.404 ( -5.311 0.000 -9.751) 11.104 6.433 ( 6.645 0.000 1.572) 6.828 6.718 ( 0.889 0.000 9.949) 9.989 6.972 ( -5.162 0.000 -1.711) 5.439 6.992 ( -2.117 0.000 7.311) 7.612 7.115 ( -3.318 0.000 4.358) 5.478 7.129 ( -0.030 0.000 -5.653) 5.653 7.337 ( 3.646 0.000 -9.813) 10.468 7.519 ( -2.773 0.000 -2.326) 3.619 7.887 ( 18.827 0.000 5.724) 19.678 8.307 ( -3.670 0.000 -4.977) 6.183 8.459 ( 6.658 0.000 0.537) 6.680 9.032 ( -1.754 0.000 0.897) 1.970 9.064 ( -1.995 0.000 -0.580) 2.078 9.888 ( -0.037 0.000 0.733) 0.734 9.896 ( -0.657 0.000 -0.648) 0.923 10.031 ( -3.245 0.000 -2.427) 4.052 10.041 ( -4.109 0.000 1.833) 4.499 10.930 ( 0.750 0.000 -0.647) 0.991 10.971 ( 0.607 0.000 0.197) 0.638 11.070 ( -0.011 0.000 0.966) 0.966 11.085 ( 1.372 0.000 0.872) 1.626 ======================= Grid point 235 (101/156) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 7.783 0.000 0.973) 7.844 1.348 ( -2.232 0.000 3.627) 4.259 1.351 ( -1.562 0.000 -2.475) 2.927 1.552 ( 16.761 0.000 -2.704) 16.978 1.718 ( -7.806 0.000 15.981) 17.786 1.894 ( -10.405 0.000 -0.826) 10.438 2.193 ( 9.598 0.000 -7.285) 12.049 2.353 ( -0.247 0.000 -6.257) 6.262 2.813 ( 5.028 0.000 -4.806) 6.956 2.814 ( 0.804 0.000 0.206) 0.830 3.007 ( -0.622 0.000 -0.142) 0.638 3.054 ( -0.340 0.000 1.469) 1.508 3.408 ( 3.689 0.000 -0.776) 3.769 3.499 ( -3.500 0.000 8.648) 9.329 3.619 ( -2.378 0.000 -1.175) 2.653 3.713 ( 1.569 0.000 -3.746) 4.061 4.873 ( -1.877 0.000 -2.698) 3.287 4.923 ( -2.343 0.000 -4.650) 5.207 5.123 ( 1.441 0.000 2.236) 2.660 5.431 ( -4.723 0.000 -8.621) 9.830 5.656 ( 8.074 0.000 -1.312) 8.180 5.794 ( -4.414 0.000 7.403) 8.619 5.937 ( 0.760 0.000 0.837) 1.131 5.974 ( -4.952 0.000 -2.839) 5.708 6.218 ( -2.086 0.000 1.377) 2.499 6.271 ( -1.525 0.000 -6.747) 6.917 6.408 ( -1.488 0.000 11.374) 11.471 6.562 ( 6.393 0.000 0.367) 6.404 6.807 ( -1.057 0.000 9.018) 9.079 6.893 ( -2.766 0.000 -0.496) 2.810 6.983 ( -5.444 0.000 5.297) 7.595 7.094 ( 2.415 0.000 -6.407) 6.847 7.101 ( -3.111 0.000 4.978) 5.871 7.299 ( 3.198 0.000 -8.979) 9.532 7.531 ( 4.683 0.000 2.698) 5.404 8.151 ( -6.316 0.000 -7.921) 10.131 8.233 ( 12.760 0.000 5.527) 13.906 8.541 ( 2.707 0.000 -1.305) 3.005 9.009 ( -1.660 0.000 0.801) 1.843 9.021 ( -1.806 0.000 -0.548) 1.887 9.888 ( 0.762 0.000 -0.925) 1.199 9.890 ( -0.474 0.000 0.610) 0.772 9.964 ( -2.047 0.000 -1.513) 2.546 9.984 ( -3.659 0.000 0.808) 3.747 10.941 ( 0.839 0.000 -0.095) 0.844 10.973 ( -0.088 0.000 -0.404) 0.414 11.080 ( 0.117 0.000 1.053) 1.059 11.108 ( 0.349 0.000 0.561) 0.661 ======================= Grid point 236 (102/156) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 5.394 0.000 4.201) 6.837 1.257 ( -5.786 0.000 -3.942) 7.001 1.444 ( 1.815 0.000 10.144) 10.305 1.643 ( -8.235 0.000 -6.787) 10.672 1.703 ( -5.604 0.000 10.496) 11.898 1.846 ( 13.196 0.000 -1.627) 13.296 2.229 ( 0.561 0.000 -3.008) 3.060 2.270 ( -3.099 0.000 -5.822) 6.596 2.781 ( -3.620 0.000 0.954) 3.744 2.860 ( 5.460 0.000 -5.232) 7.562 3.028 ( -3.622 0.000 1.052) 3.771 3.048 ( 3.807 0.000 -0.527) 3.843 3.472 ( 3.777 0.000 0.309) 3.789 3.474 ( -4.131 0.000 1.848) 4.526 3.598 ( -2.308 0.000 4.327) 4.904 3.714 ( 2.475 0.000 -4.342) 4.998 4.832 ( -0.115 0.000 -1.108) 1.114 4.870 ( 1.225 0.000 -4.456) 4.621 5.183 ( 2.848 0.000 2.773) 3.975 5.296 ( -2.027 0.000 -7.588) 7.854 5.753 ( -7.429 0.000 4.942) 8.922 5.807 ( 7.149 0.000 -0.313) 7.156 5.910 ( -3.829 0.000 1.006) 3.959 5.926 ( 2.537 0.000 -0.803) 2.661 6.159 ( -3.952 0.000 1.461) 4.213 6.216 ( 0.376 0.000 -3.199) 3.221 6.475 ( -3.320 0.000 10.213) 10.739 6.649 ( 4.677 0.000 -4.145) 6.249 6.835 ( -2.768 0.000 4.290) 5.106 6.880 ( 2.112 0.000 -0.362) 2.143 6.934 ( -4.885 0.000 7.290) 8.776 7.093 ( 4.398 0.000 -6.943) 8.218 7.095 ( -3.775 0.000 6.568) 7.576 7.287 ( 4.233 0.000 -9.146) 10.078 7.719 ( 9.558 0.000 8.411) 12.732 7.918 ( -10.478 0.000 -9.499) 14.142 8.438 ( 5.431 0.000 3.836) 6.649 8.516 ( -3.398 0.000 -3.271) 4.717 8.995 ( -0.514 0.000 0.603) 0.792 9.005 ( 0.558 0.000 -0.320) 0.643 9.882 ( -1.162 0.000 0.710) 1.362 9.898 ( 0.737 0.000 -0.775) 1.070 9.938 ( -1.630 0.000 0.094) 1.632 9.947 ( 1.871 0.000 -0.695) 1.996 10.955 ( 0.605 0.000 0.226) 0.646 10.962 ( -0.717 0.000 -0.430) 0.836 11.094 ( 0.392 0.000 1.044) 1.115 11.109 ( -0.215 0.000 -0.258) 0.336 ======================= Grid point 237 (103/156) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -10.118 0.000 -3.976) 10.871 1.281 ( 2.490 0.000 4.487) 5.131 1.400 ( -16.449 0.000 10.568) 19.552 1.457 ( -3.687 0.000 -5.245) 6.412 1.840 ( 10.663 0.000 4.524) 11.583 2.018 ( 9.469 0.000 -10.983) 14.502 2.117 ( -11.351 0.000 -1.695) 11.477 2.218 ( -0.423 0.000 5.989) 6.004 2.736 ( -2.652 0.000 1.267) 2.939 2.872 ( -0.800 0.000 -3.880) 3.962 3.000 ( 2.134 0.000 -0.042) 2.135 3.086 ( 1.195 0.000 -1.289) 1.758 3.411 ( -3.430 0.000 -0.716) 3.504 3.544 ( 3.668 0.000 1.011) 3.805 3.600 ( -2.803 0.000 6.097) 6.711 3.709 ( 1.952 0.000 -5.671) 5.998 4.863 ( 4.150 0.000 0.470) 4.177 4.878 ( 3.306 0.000 -3.320) 4.685 5.218 ( 0.340 0.000 -6.534) 6.543 5.281 ( 4.784 0.000 4.751) 6.742 5.619 ( -10.093 0.000 2.450) 10.386 5.863 ( 1.052 0.000 0.979) 1.437 5.901 ( 0.837 0.000 4.470) 4.547 5.991 ( 3.133 0.000 -4.114) 5.171 6.133 ( -2.494 0.000 4.674) 5.298 6.235 ( 2.607 0.000 -0.135) 2.610 6.467 ( -6.641 0.000 7.878) 10.304 6.624 ( 0.255 0.000 -7.969) 7.973 6.848 ( 0.125 0.000 4.967) 4.969 6.927 ( 3.050 0.000 -2.395) 3.878 6.959 ( 0.553 0.000 5.309) 5.337 7.091 ( -4.432 0.000 8.816) 9.867 7.124 ( 6.194 0.000 -6.653) 9.090 7.272 ( 3.899 0.000 -9.456) 10.229 7.648 ( -9.738 0.000 -7.593) 12.348 7.962 ( 7.812 0.000 9.364) 12.195 8.355 ( -10.509 0.000 -5.620) 11.917 8.503 ( -0.812 0.000 2.107) 2.258 9.007 ( 1.275 0.000 0.692) 1.451 9.025 ( 1.834 0.000 -0.609) 1.933 9.868 ( -0.715 0.000 0.774) 1.054 9.900 ( 0.336 0.000 -0.383) 0.509 9.939 ( 1.111 0.000 0.693) 1.309 10.003 ( 4.608 0.000 -0.882) 4.692 10.942 ( -1.163 0.000 -0.206) 1.181 10.964 ( 0.090 0.000 0.368) 0.379 11.100 ( -0.180 0.000 -0.699) 0.722 11.110 ( 0.464 0.000 0.494) 0.677 ======================= Grid point 238 (104/156) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -12.978 0.000 -0.574) 12.991 1.157 ( -19.394 0.000 7.147) 20.669 1.337 ( -0.331 0.000 3.581) 3.597 1.470 ( 7.945 0.000 -0.485) 7.960 1.829 ( -22.415 0.000 5.348) 23.044 1.978 ( 0.119 0.000 -10.268) 10.269 2.048 ( 8.592 0.000 1.805) 8.779 2.322 ( 4.720 0.000 3.050) 5.620 2.707 ( -2.162 0.000 1.214) 2.480 2.804 ( -1.866 0.000 -3.300) 3.790 3.067 ( -1.252 0.000 -2.458) 2.758 3.072 ( 4.813 0.000 -0.574) 4.847 3.341 ( -3.577 0.000 -1.151) 3.758 3.612 ( 2.781 0.000 0.230) 2.791 3.619 ( -1.706 0.000 6.875) 7.083 3.678 ( 1.029 0.000 -5.595) 5.689 4.902 ( 1.733 0.000 -2.189) 2.792 4.975 ( 7.231 0.000 0.739) 7.269 5.189 ( 2.934 0.000 -6.063) 6.735 5.435 ( 4.470 0.000 5.226) 6.877 5.516 ( -1.975 0.000 5.616) 5.953 5.863 ( -3.013 0.000 0.967) 3.164 5.967 ( 1.433 0.000 -6.647) 6.800 6.024 ( 7.152 0.000 7.217) 10.161 6.159 ( -1.531 0.000 9.731) 9.850 6.223 ( -3.314 0.000 -1.269) 3.549 6.398 ( -7.974 0.000 5.381) 9.619 6.566 ( 1.501 0.000 -8.320) 8.455 6.901 ( -0.343 0.000 5.996) 6.006 6.905 ( -1.054 0.000 -6.891) 6.972 7.040 ( 4.563 0.000 1.499) 4.803 7.111 ( -3.313 0.000 10.669) 11.171 7.171 ( 6.167 0.000 -7.838) 9.973 7.257 ( 3.680 0.000 -8.441) 9.208 7.504 ( -1.229 0.000 -1.167) 1.695 8.023 ( -16.332 0.000 -5.974) 17.391 8.177 ( 4.181 0.000 6.139) 7.427 8.460 ( -5.041 0.000 0.310) 5.051 9.047 ( 1.980 0.000 0.975) 2.206 9.051 ( 1.831 0.000 -0.806) 2.001 9.880 ( 1.158 0.000 0.752) 1.381 9.901 ( 0.121 0.000 -0.503) 0.517 9.982 ( 2.320 0.000 1.875) 2.983 10.077 ( 4.936 0.000 -1.478) 5.152 10.921 ( -1.210 0.000 0.222) 1.230 10.965 ( -0.377 0.000 0.460) 0.594 11.092 ( 0.016 0.000 -0.880) 0.880 11.112 ( -0.255 0.000 -1.060) 1.091 ======================= Grid point 239 (105/156) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -10.653 0.000 8.144) 13.410 0.883 ( -18.562 0.000 7.773) 20.124 1.335 ( -2.531 0.000 1.219) 2.809 1.500 ( -24.460 0.000 17.655) 30.166 1.637 ( 7.528 0.000 -2.958) 8.088 1.912 ( 3.362 0.000 -4.255) 5.423 2.174 ( 4.909 0.000 0.308) 4.919 2.386 ( 2.069 0.000 -3.454) 4.026 2.680 ( -2.014 0.000 1.042) 2.268 2.756 ( 0.337 0.000 -4.496) 4.509 3.010 ( -1.821 0.000 -3.152) 3.640 3.129 ( 2.514 0.000 -1.899) 3.150 3.277 ( -3.403 0.000 1.390) 3.676 3.585 ( -0.235 0.000 -7.996) 7.999 3.665 ( -0.276 0.000 6.774) 6.780 3.705 ( 2.357 0.000 2.342) 3.323 4.897 ( 0.064 0.000 -1.088) 1.090 5.087 ( 4.896 0.000 -1.869) 5.241 5.202 ( 4.342 0.000 -5.865) 7.297 5.467 ( 0.859 0.000 3.844) 3.939 5.691 ( 6.821 0.000 4.555) 8.202 5.795 ( -3.867 0.000 -0.172) 3.871 5.906 ( -1.006 0.000 -7.446) 7.514 6.175 ( -0.447 0.000 0.933) 1.035 6.243 ( 9.690 0.000 5.502) 11.143 6.271 ( -5.800 0.000 6.879) 8.997 6.353 ( 6.219 0.000 15.625) 16.817 6.517 ( 1.944 0.000 -8.683) 8.898 6.772 ( -5.344 0.000 -8.800) 10.295 6.947 ( -0.967 0.000 6.904) 6.971 7.088 ( -3.927 0.000 7.629) 8.581 7.144 ( -1.595 0.000 -11.681) 11.789 7.209 ( 6.812 0.000 3.452) 7.636 7.255 ( 4.614 0.000 -6.462) 7.940 7.536 ( 1.652 0.000 1.918) 2.532 7.639 ( -16.215 0.000 -6.365) 17.419 8.303 ( 2.360 0.000 4.158) 4.781 8.351 ( -6.384 0.000 -1.087) 6.476 9.072 ( 1.427 0.000 -0.899) 1.687 9.082 ( 1.039 0.000 0.667) 1.235 9.895 ( -0.102 0.000 -0.620) 0.628 9.910 ( 1.488 0.000 0.092) 1.491 10.046 ( 2.179 0.000 2.905) 3.631 10.143 ( 4.275 0.000 -2.112) 4.768 10.906 ( -0.976 0.000 0.723) 1.214 10.959 ( -0.697 0.000 0.141) 0.711 11.074 ( -2.139 0.000 -2.437) 3.243 11.084 ( 0.104 0.000 -1.025) 1.030 ======================= Grid point 240 (106/156) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -1.632 0.000 16.166) 16.248 0.746 ( -6.715 0.000 16.983) 18.262 1.262 ( -4.629 0.000 -3.301) 5.685 1.374 ( -13.663 0.000 28.903) 31.970 1.575 ( -3.128 0.000 -12.888) 13.262 2.042 ( 7.357 0.000 1.752) 7.563 2.232 ( 1.660 0.000 0.092) 1.663 2.320 ( -1.651 0.000 -10.414) 10.544 2.657 ( -1.613 0.000 0.810) 1.805 2.731 ( 2.220 0.000 -5.836) 6.244 2.968 ( 0.328 0.000 -1.904) 1.932 3.117 ( -0.290 0.000 -4.632) 4.641 3.259 ( -2.540 0.000 5.612) 6.160 3.505 ( 0.007 0.000 -8.122) 8.122 3.724 ( 0.309 0.000 5.630) 5.638 3.763 ( 1.509 0.000 2.455) 2.882 4.916 ( 2.771 0.000 1.107) 2.984 5.102 ( 0.483 0.000 -3.544) 3.577 5.221 ( 3.763 0.000 -5.227) 6.441 5.548 ( 3.416 0.000 3.064) 4.589 5.650 ( -9.774 0.000 -8.616) 13.029 5.732 ( -1.915 0.000 -3.003) 3.562 5.881 ( 3.802 0.000 0.349) 3.818 6.194 ( -5.051 0.000 5.152) 7.215 6.208 ( 2.646 0.000 0.653) 2.725 6.390 ( -1.523 0.000 -0.338) 1.560 6.481 ( 2.800 0.000 -7.954) 8.433 6.555 ( -14.043 0.000 -3.688) 14.519 6.783 ( 22.038 0.000 11.839) 25.017 6.992 ( -1.647 0.000 7.392) 7.573 6.999 ( 0.830 0.000 -0.387) 0.916 7.073 ( -6.294 0.000 9.256) 11.194 7.289 ( 6.324 0.000 -7.158) 9.552 7.358 ( 6.993 0.000 0.210) 6.997 7.440 ( -2.519 0.000 -4.380) 5.053 7.525 ( -4.915 0.000 0.471) 4.937 8.241 ( -3.725 0.000 -2.239) 4.346 8.285 ( -6.732 0.000 -0.144) 6.734 9.085 ( 1.039 0.000 -0.819) 1.323 9.094 ( -0.048 0.000 0.258) 0.263 9.893 ( 0.415 0.000 -0.171) 0.449 9.925 ( 0.439 0.000 -0.546) 0.701 10.102 ( 0.749 0.000 3.322) 3.406 10.185 ( 2.920 0.000 -2.570) 3.890 10.899 ( -0.765 0.000 0.993) 1.254 10.936 ( -1.271 0.000 -1.109) 1.687 11.027 ( -1.182 0.000 0.698) 1.373 11.076 ( 0.101 0.000 -1.188) 1.192 ======================= Grid point 241 (107/156) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 5.208 8.531 16.676) 19.442 1.110 ( 0.089 14.212 16.865) 22.055 1.266 ( -5.062 11.096 -10.006) 15.775 1.433 ( -3.148 9.623 -13.392) 16.789 1.630 ( 4.077 10.715 22.506) 25.258 2.027 ( -2.108 -0.880 -12.760) 12.962 2.183 ( 0.918 -1.972 3.867) 4.437 2.257 ( -1.531 -0.191 -3.799) 4.100 2.770 ( -0.279 12.267 1.028) 12.313 2.852 ( 3.223 11.782 -5.611) 13.442 3.060 ( 1.970 5.657 0.884) 6.055 3.119 ( -1.636 5.807 -4.410) 7.473 3.287 ( -2.441 1.423 6.586) 7.167 3.438 ( 0.872 -0.558 -6.607) 6.688 3.752 ( 0.942 -0.582 4.005) 4.155 3.811 ( -0.395 1.502 -1.229) 1.981 5.000 ( 4.764 -0.930 1.084) 4.974 5.034 ( -1.564 -2.664 -2.598) 4.036 5.228 ( 6.347 -3.789 -0.579) 7.415 5.297 ( -11.044 -3.555 -6.227) 13.167 5.612 ( 2.347 -0.777 2.489) 3.508 5.682 ( -1.988 -0.088 -3.816) 4.304 6.002 ( 8.530 -2.422 4.932) 10.146 6.108 ( -9.277 -4.138 -4.709) 11.197 6.276 ( -1.755 7.379 7.919) 10.965 6.333 ( -9.155 0.710 9.322) 13.085 6.385 ( 0.124 8.309 -0.951) 8.364 6.508 ( 2.236 3.930 -6.407) 7.841 6.959 ( 3.582 -6.663 6.426) 9.926 7.015 ( -5.866 -2.448 4.894) 8.022 7.060 ( 4.523 -6.728 2.877) 8.602 7.137 ( 3.842 0.029 -3.367) 5.109 7.325 ( -3.548 -2.678 0.031) 4.445 7.370 ( 3.717 -2.644 -2.848) 5.377 7.411 ( 2.710 2.765 -1.292) 4.081 7.450 ( 0.437 2.612 -2.869) 3.904 8.107 ( -4.268 -1.644 4.038) 6.101 8.177 ( 2.084 -2.705 -2.471) 4.215 9.110 ( -0.458 1.785 0.207) 1.854 9.118 ( 0.427 1.811 -0.521) 1.932 9.948 ( -0.997 2.024 0.531) 2.318 9.983 ( 0.864 4.743 -2.989) 5.672 10.095 ( -1.081 -2.480 2.801) 3.894 10.154 ( 0.989 -3.950 -2.521) 4.789 10.947 ( 1.086 1.945 0.177) 2.235 10.960 ( -1.166 3.343 -0.952) 3.666 11.015 ( -0.111 0.062 -0.324) 0.348 11.028 ( 0.256 -3.600 -1.003) 3.746 ======================= Grid point 242 (108/156) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.388 7.762 -9.923) 12.604 1.221 ( 5.480 13.014 6.298) 15.462 1.270 ( 0.004 7.357 3.810) 8.285 1.299 ( 2.504 15.383 5.998) 16.699 1.889 ( 2.899 1.156 -10.013) 10.488 1.935 ( 8.349 4.550 8.199) 12.555 2.159 ( -5.478 -0.385 -3.170) 6.341 2.204 ( -2.579 -1.237 4.280) 5.148 2.784 ( 1.043 12.179 0.466) 12.233 2.858 ( 3.341 11.931 -5.546) 13.574 3.053 ( -1.161 6.924 -3.100) 7.674 3.097 ( 0.166 3.371 2.039) 3.943 3.320 ( -1.445 1.216 7.480) 7.715 3.410 ( 2.342 1.143 -5.185) 5.803 3.778 ( -1.086 0.113 -3.094) 3.281 3.794 ( 0.280 0.397 2.646) 2.691 4.964 ( -2.524 -1.958 -3.847) 5.001 5.060 ( 2.138 -1.258 -1.317) 2.809 5.138 ( -3.389 -2.593 -1.117) 4.411 5.413 ( 9.777 -5.388 5.914) 12.633 5.611 ( -2.110 -0.590 -3.284) 3.948 5.672 ( 1.869 0.733 3.630) 4.148 5.906 ( -6.908 -1.681 -3.082) 7.749 6.169 ( 1.964 -0.727 3.627) 4.188 6.290 ( -5.390 2.596 11.250) 12.742 6.351 ( 2.061 4.512 7.082) 8.646 6.373 ( -0.327 7.082 -4.744) 8.530 6.531 ( 3.797 1.783 1.366) 4.412 6.858 ( -9.405 -4.748 -4.786) 11.572 6.964 ( -7.223 -1.578 3.057) 8.000 7.104 ( -0.702 -5.619 0.046) 5.663 7.175 ( 2.169 -1.142 -2.814) 3.732 7.259 ( -0.205 0.339 -2.245) 2.279 7.369 ( -2.902 1.377 -2.059) 3.815 7.398 ( 3.333 0.697 -1.347) 3.662 7.548 ( 7.545 -0.646 -3.270) 8.248 8.142 ( 3.725 -1.770 4.679) 6.237 8.231 ( 4.898 -4.423 -1.706) 6.816 9.090 ( -1.598 1.647 0.198) 2.304 9.124 ( 0.265 1.943 -0.181) 1.970 9.930 ( -1.700 2.621 1.178) 3.339 9.972 ( 0.166 3.922 -1.297) 4.134 10.080 ( -2.902 -4.297 1.835) 5.500 10.145 ( -0.049 -1.905 -1.700) 2.554 10.925 ( -0.936 1.855 -0.260) 2.094 10.987 ( 1.889 3.262 0.412) 3.792 11.018 ( 0.125 -2.691 0.152) 2.698 11.025 ( 0.492 -1.924 -0.606) 2.076 ======================= Grid point 243 (109/156) ======================= q-point: ( 0.20 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 8.067 14.798 -5.374) 17.690 1.176 ( 4.691 14.923 -10.029) 18.581 1.429 ( 2.424 5.111 10.753) 12.150 1.464 ( 2.763 11.540 10.547) 15.876 1.849 ( 1.072 0.818 -7.701) 7.819 1.952 ( -1.889 3.760 -9.388) 10.288 2.122 ( -2.609 -1.993 2.542) 4.152 2.254 ( 4.287 -1.686 6.100) 7.644 2.814 ( 2.168 11.102 0.149) 11.313 2.868 ( 3.352 11.588 -4.772) 12.973 3.033 ( 0.817 4.974 -1.018) 5.143 3.098 ( -2.067 1.167 2.266) 3.281 3.347 ( -0.778 -0.797 2.002) 2.291 3.446 ( 3.257 6.230 2.351) 7.413 3.718 ( -1.791 -0.540 -4.376) 4.759 3.807 ( -0.606 2.490 0.934) 2.727 4.911 ( 0.424 -1.489 -2.883) 3.272 5.061 ( -0.224 -1.290 -1.744) 2.181 5.110 ( -1.313 -1.492 0.809) 2.145 5.515 ( -1.180 -5.962 -1.655) 6.299 5.615 ( 2.455 -1.548 2.877) 4.087 5.762 ( 2.236 1.958 5.238) 6.022 5.827 ( -0.629 -1.141 -0.455) 1.380 6.173 ( -1.686 0.720 0.888) 2.037 6.285 ( -5.330 1.553 5.685) 7.946 6.345 ( -1.010 3.620 3.977) 5.472 6.393 ( -1.964 2.237 -0.446) 3.010 6.603 ( -1.176 -2.396 -2.225) 3.475 6.647 ( -3.461 2.875 -2.284) 5.046 6.908 ( -3.281 -2.907 6.393) 7.752 7.074 ( -2.551 -0.553 0.073) 2.611 7.142 ( -0.993 0.490 -3.713) 3.874 7.231 ( -2.647 2.427 -0.728) 3.664 7.330 ( 2.519 -0.981 -4.988) 5.673 7.534 ( 12.738 -0.538 0.843) 12.777 7.590 ( 0.962 -0.196 -2.793) 2.960 8.260 ( 3.534 -4.661 -1.605) 6.066 8.298 ( 5.400 -4.690 1.743) 7.361 9.061 ( -1.977 1.175 0.366) 2.329 9.120 ( -0.566 2.025 -0.124) 2.106 9.914 ( -1.461 2.841 1.368) 3.476 9.961 ( -0.711 2.955 -0.602) 3.098 10.039 ( -2.866 -4.163 0.763) 5.112 10.116 ( -1.967 0.273 -0.738) 2.119 10.918 ( 0.124 0.499 -0.082) 0.521 11.016 ( 1.238 -3.424 -0.129) 3.643 11.017 ( -0.057 -1.960 -0.277) 1.981 11.044 ( 1.077 4.484 1.572) 4.873 ======================= Grid point 244 (110/156) ======================= q-point: ( 0.30 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 5.036 22.550 -4.105) 23.468 1.326 ( 13.772 5.748 -2.819) 15.187 1.483 ( -4.630 4.910 2.228) 7.107 1.562 ( 0.751 14.199 3.805) 14.720 1.719 ( -8.050 3.571 8.769) 12.428 2.013 ( 14.086 -1.972 -10.340) 17.584 2.052 ( -6.709 0.573 1.397) 6.876 2.348 ( 3.087 -2.754 -1.491) 4.397 2.864 ( 3.029 10.034 0.507) 10.494 2.889 ( 3.876 10.884 -4.576) 12.426 3.026 ( -2.306 -1.568 0.654) 2.864 3.094 ( 0.159 4.645 1.677) 4.941 3.348 ( -0.237 -1.797 1.117) 2.129 3.536 ( 2.677 8.404 4.503) 9.903 3.642 ( -1.845 -1.699 -4.868) 5.476 3.793 ( -1.276 4.599 -0.178) 4.776 4.908 ( 0.925 -0.684 -2.502) 2.754 5.017 ( -2.333 -0.021 -2.980) 3.785 5.089 ( -1.595 -1.223 1.342) 2.417 5.478 ( -0.454 -5.784 -3.736) 6.901 5.623 ( -0.884 -0.914 -2.880) 3.148 5.793 ( -2.018 -0.108 3.809) 4.311 5.856 ( 2.071 -1.156 2.114) 3.177 6.121 ( -5.018 -0.662 -2.542) 5.664 6.241 ( -0.938 3.822 1.943) 4.389 6.331 ( -2.868 1.246 3.077) 4.386 6.440 ( 2.441 0.971 2.420) 3.572 6.476 ( -0.826 4.537 -1.666) 4.904 6.721 ( 0.281 0.605 8.504) 8.530 6.898 ( -2.815 -3.499 3.011) 5.407 7.045 ( -1.734 2.082 1.868) 3.291 7.096 ( -1.696 -1.211 -1.190) 2.400 7.176 ( -2.678 3.753 -0.024) 4.611 7.329 ( 3.558 -0.884 -8.951) 9.673 7.533 ( -1.592 1.360 -2.343) 3.143 7.846 ( 16.504 -4.232 4.953) 17.743 8.231 ( -1.939 -5.005 -4.693) 7.130 8.419 ( 5.443 -4.628 0.473) 7.160 9.031 ( -1.756 0.950 0.596) 2.083 9.100 ( -1.701 2.113 -0.091) 2.714 9.906 ( -0.813 2.755 1.301) 3.153 9.933 ( -1.296 0.160 -1.210) 1.780 10.000 ( -2.104 -0.391 0.329) 2.165 10.067 ( -2.926 1.751 -0.388) 3.432 10.923 ( 0.442 0.164 0.072) 0.477 11.011 ( -0.096 -1.259 -0.738) 1.463 11.035 ( 0.971 -4.108 0.173) 4.224 11.077 ( 0.556 3.614 1.842) 4.094 ======================= Grid point 245 (111/156) ======================= q-point: ( 0.40 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 6.386 19.596 -0.108) 20.610 1.406 ( -2.631 5.816 3.483) 7.271 1.475 ( 2.438 9.085 -1.642) 9.548 1.642 ( 8.516 10.122 0.824) 13.254 1.730 ( -4.318 2.802 11.580) 12.672 1.909 ( -9.384 1.792 -1.421) 9.659 2.156 ( 8.385 -2.481 -4.926) 10.036 2.342 ( 0.925 -1.637 -6.314) 6.588 2.895 ( -1.689 6.780 1.328) 7.113 2.915 ( 3.816 9.051 -5.087) 11.062 3.014 ( 2.328 1.666 0.590) 2.923 3.109 ( -0.812 4.742 1.239) 4.968 3.365 ( 0.006 -3.030 2.854) 4.163 3.554 ( -1.307 1.291 -4.375) 4.745 3.630 ( 2.339 5.168 2.866) 6.356 3.765 ( -1.427 5.230 -0.596) 5.454 4.878 ( -1.342 0.683 -2.362) 2.801 4.939 ( -1.974 1.461 -4.456) 5.088 5.101 ( 1.054 -2.111 2.102) 3.160 5.380 ( -3.617 -4.717 -7.671) 9.704 5.654 ( 7.171 -0.222 -1.363) 7.303 5.783 ( -2.684 -2.130 3.415) 4.837 5.893 ( -2.009 -1.340 3.646) 4.374 6.007 ( -3.410 1.363 -3.353) 4.973 6.255 ( -1.497 3.460 1.021) 3.906 6.282 ( -1.606 1.589 -3.612) 4.260 6.450 ( -2.583 3.515 9.484) 10.439 6.580 ( 6.132 1.478 0.875) 6.368 6.772 ( -2.813 -2.882 9.381) 10.209 6.887 ( -0.330 0.185 -0.485) 0.615 7.024 ( -4.000 2.581 3.485) 5.900 7.073 ( 0.816 -0.862 -1.514) 1.923 7.138 ( -1.994 3.094 0.341) 3.697 7.295 ( 3.030 -0.552 -9.036) 9.546 7.555 ( 4.642 2.276 2.527) 5.755 8.075 ( -1.793 -9.228 -3.207) 9.932 8.185 ( 8.017 -1.578 1.152) 8.252 8.474 ( 1.197 -6.562 -1.748) 6.896 9.018 ( -0.291 1.892 0.791) 2.071 9.065 ( -2.049 2.422 0.230) 3.181 9.901 ( -0.686 -0.397 0.376) 0.878 9.918 ( 0.696 2.399 -0.072) 2.499 9.965 ( -2.215 1.087 -0.133) 2.471 10.012 ( -2.427 3.397 -0.968) 4.285 10.936 ( 0.704 0.105 0.559) 0.905 11.000 ( -0.305 -0.487 -1.080) 1.223 11.054 ( 0.753 -3.175 0.611) 3.320 11.091 ( -0.239 1.112 0.779) 1.379 ======================= Grid point 246 (112/156) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 4.915 16.823 2.497) 17.703 1.405 ( -5.070 11.319 -0.994) 12.442 1.493 ( 0.417 7.104 8.535) 11.112 1.688 ( -8.571 5.153 -6.517) 11.937 1.719 ( -3.632 2.050 10.196) 11.016 1.874 ( 12.063 3.341 -3.057) 12.885 2.194 ( -0.959 -2.064 -0.091) 2.278 2.279 ( -1.173 -0.306 -6.995) 7.099 2.853 ( -3.419 6.125 1.981) 7.289 2.944 ( 5.031 7.443 -5.470) 10.519 3.073 ( -2.819 3.829 1.250) 4.917 3.089 ( 2.788 4.736 -0.212) 5.500 3.399 ( 0.277 -2.799 4.031) 4.916 3.492 ( -0.850 -1.333 -4.776) 5.031 3.688 ( 0.596 7.922 2.640) 8.372 3.741 ( 0.437 3.935 -1.661) 4.294 4.846 ( -0.063 1.510 -0.764) 1.693 4.888 ( 1.062 1.753 -4.398) 4.853 5.155 ( 2.596 -2.750 2.570) 4.573 5.264 ( -1.444 -3.049 -7.419) 8.150 5.745 ( -6.511 -0.956 3.911) 7.656 5.787 ( 5.395 -2.005 -0.275) 5.762 5.878 ( -1.110 -2.006 2.941) 3.729 5.941 ( 0.417 0.532 -2.762) 2.843 6.198 ( -4.592 4.139 1.826) 6.447 6.247 ( 0.793 3.095 -2.144) 3.848 6.501 ( -3.155 2.310 9.910) 10.654 6.660 ( 3.620 0.747 -2.884) 4.688 6.805 ( -2.315 -2.450 5.452) 6.410 6.890 ( 2.348 0.537 -0.524) 2.465 6.978 ( -4.598 3.608 5.190) 7.816 7.089 ( 2.440 0.778 -1.737) 3.094 7.114 ( -1.071 1.636 0.753) 2.095 7.275 ( 3.602 -1.188 -8.870) 9.647 7.726 ( 8.400 0.658 7.289) 11.141 7.895 ( -8.993 -2.367 -7.941) 12.229 8.351 ( 5.236 -7.435 3.324) 9.682 8.426 ( -3.863 -7.887 -3.501) 9.454 9.032 ( -0.209 2.900 0.861) 3.032 9.043 ( 0.500 2.753 -0.117) 2.801 9.903 ( -0.919 1.273 1.330) 2.058 9.926 ( -0.387 -0.139 -0.760) 0.864 9.943 ( 1.292 0.885 0.674) 1.705 9.973 ( -0.102 5.401 -1.873) 5.718 10.955 ( 0.496 0.191 1.036) 1.164 10.980 ( -0.546 0.024 -1.293) 1.404 11.074 ( 0.780 -2.200 0.828) 2.476 11.085 ( -0.676 -0.785 -0.147) 1.046 ======================= Grid point 247 (113/156) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -9.301 14.959 -1.581) 17.686 1.421 ( -6.220 7.453 4.477) 10.690 1.492 ( -4.554 14.981 8.749) 17.937 1.512 ( -4.084 6.473 -4.127) 8.696 1.855 ( 9.501 1.696 4.085) 10.480 2.005 ( 7.346 -0.434 -10.430) 12.765 2.117 ( -9.245 0.003 -1.692) 9.398 2.214 ( -0.827 -0.186 4.602) 4.679 2.824 ( -2.152 8.060 2.078) 8.597 2.975 ( 0.417 9.935 -4.159) 10.778 3.015 ( 0.421 0.640 -0.428) 0.878 3.133 ( 1.650 4.451 -0.702) 4.799 3.429 ( -1.704 -3.716 -3.253) 5.224 3.451 ( 0.965 0.483 4.097) 4.237 3.688 ( -1.082 3.192 -0.086) 3.371 3.759 ( 2.135 7.610 -1.196) 7.994 4.871 ( 3.016 0.811 -0.126) 3.125 4.895 ( 3.285 1.677 -2.483) 4.447 5.195 ( 0.912 -2.199 -6.535) 6.955 5.245 ( 4.425 -3.471 4.177) 7.006 5.616 ( -9.647 -0.277 2.452) 9.958 5.802 ( -1.108 -4.554 0.796) 4.754 5.919 ( 1.586 0.314 4.929) 5.187 5.989 ( 4.112 0.043 -4.216) 5.890 6.165 ( -2.465 3.139 4.866) 6.293 6.270 ( 1.877 3.734 0.419) 4.200 6.498 ( -6.173 2.632 7.367) 9.965 6.642 ( 0.342 1.388 -6.862) 7.010 6.819 ( -0.427 -2.412 5.573) 6.088 6.929 ( 2.065 -0.413 -3.956) 4.482 6.984 ( 0.622 1.979 3.910) 4.426 7.096 ( -3.727 0.828 6.797) 7.796 7.149 ( 6.352 2.729 -4.421) 8.206 7.253 ( 3.153 -1.552 -8.376) 9.083 7.654 ( -9.085 0.466 -6.207) 11.013 7.940 ( 6.782 -2.354 7.470) 10.361 8.268 ( -9.712 -6.636 -4.951) 12.762 8.428 ( 0.391 -7.209 2.362) 7.596 9.027 ( 0.188 2.396 0.030) 2.404 9.072 ( 1.946 2.925 -0.282) 3.525 9.886 ( -0.770 -0.216 0.907) 1.209 9.933 ( -0.154 3.240 -0.175) 3.249 9.958 ( 1.672 2.324 -0.034) 2.863 10.008 ( 4.108 1.388 -0.603) 4.378 10.950 ( -1.142 0.115 -0.510) 1.256 10.979 ( 0.548 0.576 0.581) 0.985 11.068 ( -0.810 -2.362 -0.584) 2.564 11.095 ( 0.887 -1.038 0.481) 1.447 ======================= Grid point 248 (114/156) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -10.166 19.105 2.247) 21.758 1.245 ( -15.796 9.436 5.841) 19.305 1.490 ( 1.337 9.288 1.087) 9.447 1.555 ( 4.912 13.535 2.059) 14.545 1.835 ( -19.705 1.529 3.043) 19.997 1.964 ( 0.426 -0.884 -9.739) 9.789 2.052 ( 7.058 0.663 1.545) 7.255 2.295 ( 3.372 -2.301 2.982) 5.055 2.809 ( -1.848 9.556 1.953) 9.927 2.909 ( -2.293 9.444 -2.360) 10.001 3.057 ( 2.992 0.161 -2.401) 3.840 3.142 ( 1.445 5.287 -2.144) 5.885 3.362 ( -2.697 -1.536 -1.885) 3.631 3.521 ( 1.605 0.304 5.301) 5.547 3.658 ( -0.554 0.827 -3.531) 3.669 3.781 ( 1.061 8.524 0.102) 8.590 4.901 ( 1.335 -0.233 -2.122) 2.518 4.973 ( 5.504 0.065 0.806) 5.563 5.176 ( 3.524 -1.352 -6.236) 7.289 5.381 ( 4.829 -5.260 4.855) 8.634 5.521 ( -2.826 0.522 5.147) 5.895 5.807 ( -0.592 -4.859 1.513) 5.124 5.928 ( -1.747 -1.898 -0.584) 2.645 6.061 ( 5.911 1.787 1.457) 6.345 6.189 ( -1.762 2.534 8.072) 8.642 6.265 ( -2.281 4.309 0.057) 4.875 6.426 ( -7.909 2.308 4.488) 9.382 6.596 ( 1.477 2.456 -6.597) 7.193 6.869 ( -1.684 -2.132 -1.497) 3.102 6.886 ( -0.367 -1.896 1.216) 2.283 7.045 ( 4.847 0.493 -2.281) 5.380 7.106 ( -3.243 -0.453 9.482) 10.031 7.213 ( 5.393 2.818 -6.648) 9.012 7.243 ( 3.426 0.119 -5.053) 6.106 7.515 ( -2.287 0.892 -0.903) 2.615 7.974 ( -14.648 -7.197 -6.602) 17.605 8.108 ( 2.266 -1.423 6.398) 6.935 8.412 ( -3.751 -5.510 0.931) 6.730 9.043 ( 1.591 1.450 -0.297) 2.173 9.100 ( 1.531 2.508 -0.177) 2.943 9.904 ( 1.468 0.352 1.276) 1.976 9.931 ( 0.740 1.877 -0.657) 2.122 9.994 ( 2.020 2.908 0.374) 3.560 10.077 ( 4.205 -0.084 -0.917) 4.305 10.928 ( -0.753 0.310 -0.346) 0.885 10.992 ( 0.202 0.814 0.853) 1.196 11.048 ( -0.851 -3.837 -0.749) 4.001 11.109 ( 0.748 0.848 -0.854) 1.417 ======================= Grid point 249 (115/156) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -9.785 17.351 8.795) 21.775 1.019 ( -13.106 19.273 3.839) 23.621 1.495 ( -3.602 12.258 2.065) 12.942 1.529 ( -19.216 6.642 13.108) 24.191 1.680 ( 4.771 4.912 -3.899) 7.880 1.919 ( 4.416 1.115 -2.474) 5.183 2.154 ( 3.765 -1.392 -0.420) 4.036 2.343 ( 1.472 -3.530 -2.574) 4.610 2.792 ( -1.929 10.715 1.655) 11.012 2.864 ( 0.124 9.763 -3.328) 10.315 3.050 ( -0.401 3.163 -2.426) 4.006 3.160 ( 2.727 2.877 -2.828) 4.869 3.310 ( -2.700 0.567 1.027) 2.944 3.569 ( -0.919 1.258 -1.761) 2.351 3.628 ( 1.484 0.066 0.873) 1.723 3.800 ( 0.570 6.542 1.064) 6.652 4.891 ( 0.048 -0.672 -1.169) 1.349 5.057 ( 3.404 -2.574 -1.102) 4.407 5.190 ( 3.944 -1.406 -6.213) 7.492 5.450 ( 1.813 -2.679 3.070) 4.460 5.634 ( 4.548 -4.468 3.823) 7.434 5.786 ( -1.512 -1.266 1.056) 2.237 5.894 ( -0.776 -0.984 -4.608) 4.775 6.145 ( 1.091 -2.211 3.135) 3.989 6.256 ( -1.822 -1.527 10.798) 11.057 6.298 ( 3.263 3.653 4.269) 6.498 6.355 ( -0.534 2.436 6.294) 6.770 6.561 ( 0.936 3.340 -5.944) 6.882 6.728 ( -6.621 -2.353 -5.546) 8.951 6.948 ( 0.657 -0.297 5.509) 5.556 7.062 ( -2.412 -0.717 1.017) 2.714 7.181 ( 4.819 -0.655 1.021) 4.969 7.184 ( -0.988 0.960 -5.343) 5.518 7.292 ( 5.449 3.238 -2.971) 7.000 7.515 ( -1.304 -2.100 1.621) 2.957 7.636 ( -13.089 -0.544 -5.700) 14.287 8.182 ( -1.048 -5.379 5.059) 7.458 8.329 ( -5.290 -4.324 -0.676) 6.866 9.070 ( 1.823 1.094 -0.420) 2.167 9.119 ( 0.657 2.174 -0.020) 2.271 9.933 ( 1.206 2.992 -0.228) 3.234 9.961 ( 2.609 0.190 -0.050) 2.616 10.033 ( 2.155 1.432 0.178) 2.593 10.130 ( 3.051 -1.407 -1.511) 3.684 10.919 ( -0.033 0.481 -0.161) 0.509 11.001 ( -0.278 0.080 0.859) 0.906 11.028 ( -0.329 -4.389 -0.880) 4.489 11.098 ( -0.169 4.236 -3.099) 5.251 ======================= Grid point 250 (116/156) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -8.255 11.728 11.779) 18.559 0.994 ( -2.793 22.308 12.753) 25.848 1.424 ( -6.190 12.947 -0.659) 14.365 1.442 ( -7.263 10.399 20.700) 24.277 1.604 ( -2.110 3.989 -12.304) 13.106 2.062 ( 6.702 2.026 3.326) 7.752 2.165 ( -0.732 -4.530 -3.946) 6.052 2.308 ( 0.006 -1.564 -5.789) 5.996 2.775 ( -1.513 11.601 1.388) 11.781 2.849 ( 2.184 10.740 -4.508) 11.851 3.033 ( 0.855 5.533 -1.136) 5.713 3.165 ( 0.917 3.103 -3.705) 4.919 3.286 ( -2.817 1.994 3.986) 5.272 3.499 ( -0.851 0.254 -6.649) 6.708 3.691 ( 1.489 -0.242 4.434) 4.683 3.816 ( 0.166 3.812 0.541) 3.854 4.911 ( 2.965 -0.560 0.931) 3.158 5.069 ( 0.243 -3.288 -2.328) 4.037 5.191 ( 2.815 -2.723 -5.577) 6.814 5.520 ( 1.390 -5.320 0.458) 5.517 5.588 ( -6.755 -2.383 -5.180) 8.840 5.757 ( -2.789 1.102 -3.320) 4.474 5.863 ( 3.008 -1.157 0.359) 3.243 6.190 ( 0.359 -1.545 2.923) 3.325 6.257 ( -2.414 4.851 4.595) 7.105 6.384 ( -3.617 -2.403 4.752) 6.437 6.487 ( -3.746 -3.214 4.339) 6.571 6.514 ( 1.621 2.642 -6.314) 7.034 6.697 ( 10.044 -3.352 8.056) 13.305 6.965 ( -0.736 -1.375 2.545) 2.985 7.059 ( 2.261 4.132 2.977) 5.572 7.101 ( -6.581 1.759 5.192) 8.565 7.278 ( 7.433 -0.888 -5.014) 9.010 7.363 ( 2.816 0.145 -1.127) 3.036 7.422 ( -1.482 -2.313 -3.272) 4.272 7.515 ( -4.823 0.054 0.164) 4.826 8.164 ( -4.708 -4.094 3.373) 7.093 8.227 ( -4.514 -3.767 -2.157) 6.263 9.096 ( 1.428 1.326 -0.292) 1.971 9.123 ( -0.094 2.076 -0.100) 2.081 9.949 ( 0.602 2.048 -0.063) 2.136 9.990 ( 1.947 3.962 -3.019) 5.349 10.071 ( 1.219 -1.445 1.527) 2.430 10.154 ( 1.575 -2.988 -1.965) 3.907 10.924 ( 0.928 0.817 -0.185) 1.251 10.992 ( -1.263 -2.923 0.257) 3.194 11.025 ( 0.639 -0.279 -1.042) 1.254 11.050 ( -1.440 4.943 -3.084) 6.002 ======================= Grid point 251 (117/156) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.720 12.067 13.394) 18.043 1.339 ( -2.349 10.390 14.689) 18.145 1.460 ( -3.115 9.404 -10.347) 14.325 1.683 ( 1.528 11.341 -12.962) 17.290 1.974 ( 4.873 21.428 8.419) 23.533 2.074 ( -1.947 5.322 -0.752) 5.717 2.208 ( -2.056 7.671 1.719) 8.126 2.257 ( -0.381 2.343 -3.038) 3.856 2.990 ( -0.250 -0.934 3.478) 3.609 3.068 ( -0.001 9.071 -1.640) 9.218 3.137 ( 1.680 -0.778 -0.013) 1.852 3.196 ( 1.148 11.238 -3.605) 11.858 3.387 ( 1.079 9.277 3.573) 9.999 3.491 ( -1.972 8.180 -5.398) 9.997 3.781 ( 0.800 3.349 2.617) 4.325 3.866 ( 0.153 4.061 -4.654) 6.179 4.951 ( 0.459 -4.062 0.254) 4.096 4.983 ( 2.077 -2.315 -1.719) 3.554 5.159 ( 5.164 -2.505 0.480) 5.759 5.235 ( -7.499 -2.285 -5.239) 9.429 5.608 ( 1.843 0.496 2.531) 3.170 5.676 ( -2.600 -0.206 -3.667) 4.500 5.971 ( 7.688 -0.867 3.825) 8.631 6.041 ( -8.466 -2.812 -2.460) 9.254 6.353 ( -3.384 2.273 11.973) 12.648 6.416 ( -3.991 5.275 7.038) 9.658 6.549 ( 2.026 9.025 2.125) 9.490 6.618 ( 1.198 5.658 -5.269) 7.824 6.787 ( 6.725 -7.297 6.901) 12.088 6.948 ( -7.289 -4.612 -6.769) 10.964 6.982 ( -1.291 -2.146 7.244) 7.664 7.120 ( -0.134 -1.746 -5.728) 5.990 7.268 ( -2.209 -2.181 1.432) 3.419 7.347 ( 5.536 -0.350 -3.843) 6.748 7.482 ( 5.190 4.490 0.878) 6.918 7.517 ( -1.764 4.059 -1.698) 4.740 8.117 ( -2.225 1.656 1.247) 3.041 8.139 ( 1.154 -0.795 -0.659) 1.548 9.142 ( 0.030 1.493 0.248) 1.514 9.152 ( -0.059 1.648 -0.599) 1.755 9.930 ( -0.859 -4.082 2.323) 4.775 9.980 ( -0.622 -4.178 -1.828) 4.603 10.075 ( 2.672 -3.241 0.132) 4.202 10.102 ( -1.451 1.460 -2.789) 3.466 10.898 ( 0.373 -4.664 1.848) 5.031 10.928 ( 0.351 -5.228 -0.855) 5.309 11.014 ( 2.495 1.794 1.511) 3.424 11.082 ( -3.215 2.928 -4.939) 6.580 ======================= Grid point 252 (118/156) ======================= q-point: ( 0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -0.270 9.762 2.781) 10.154 1.378 ( 2.743 8.352 1.318) 8.889 1.515 ( 4.548 11.295 12.518) 17.463 1.628 ( 5.332 12.950 -10.383) 17.434 2.005 ( -1.480 13.967 -5.360) 15.033 2.105 ( 1.793 5.736 0.047) 6.010 2.180 ( -2.575 2.798 4.569) 5.944 2.222 ( -1.540 10.966 0.376) 11.080 3.003 ( -1.416 -0.728 2.311) 2.806 3.052 ( 0.073 1.128 -2.127) 2.408 3.151 ( -0.053 6.372 0.343) 6.381 3.166 ( 0.126 12.161 -4.451) 12.951 3.417 ( -0.062 9.277 -2.338) 9.567 3.481 ( 3.419 7.900 3.004) 9.117 3.822 ( 0.823 2.660 1.190) 3.028 3.830 ( 0.813 5.013 -3.005) 5.901 4.914 ( -2.266 -2.961 -1.661) 4.082 5.018 ( 2.883 -3.075 -2.373) 4.837 5.101 ( -2.865 -0.689 -2.158) 3.653 5.304 ( 6.307 -4.892 3.992) 8.924 5.615 ( -0.720 1.024 -2.320) 2.636 5.680 ( 2.916 0.206 4.036) 4.983 5.881 ( -5.847 -0.702 -1.730) 6.138 6.145 ( 5.935 -1.696 2.557) 6.681 6.357 ( -4.924 3.955 8.864) 10.884 6.438 ( -3.616 3.405 6.108) 7.873 6.508 ( -4.438 6.340 -4.294) 8.850 6.595 ( 1.081 4.440 -0.557) 4.604 6.784 ( -3.059 -1.644 -6.255) 7.154 6.923 ( -7.830 -3.279 2.540) 8.861 6.980 ( 4.865 -5.471 7.008) 10.135 7.146 ( 4.356 -1.927 -1.216) 4.916 7.242 ( -1.094 -1.006 -0.341) 1.525 7.405 ( 6.225 0.083 -4.719) 7.812 7.427 ( -4.401 4.137 -2.961) 6.727 7.573 ( 4.181 2.882 -2.174) 5.524 8.124 ( 2.084 -0.147 2.241) 3.064 8.175 ( 2.267 -1.429 -0.535) 2.733 9.124 ( -1.473 1.734 0.081) 2.276 9.156 ( 0.122 1.412 -0.145) 1.424 9.941 ( -0.725 -1.709 2.296) 2.953 9.956 ( -1.228 -6.651 0.289) 6.769 10.035 ( -1.765 0.547 -2.189) 2.865 10.127 ( 1.895 -0.067 -0.330) 1.925 10.904 ( -0.553 -4.355 -0.119) 4.392 10.926 ( 0.372 -5.073 -0.936) 5.172 10.998 ( -1.956 1.410 -2.249) 3.297 11.087 ( 2.855 2.994 3.001) 5.111 ======================= Grid point 253 (119/156) ======================= q-point: ( 0.20 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 7.736 11.100 -2.246) 13.715 1.473 ( 0.878 6.117 9.285) 11.154 1.613 ( 5.383 15.286 -5.292) 17.048 1.739 ( 4.807 11.692 6.604) 14.263 1.948 ( -1.393 12.176 -3.465) 12.735 2.008 ( -2.885 2.071 -7.199) 8.027 2.194 ( -2.704 6.890 3.347) 8.123 2.248 ( 2.645 6.893 1.414) 7.518 2.981 ( -4.216 -6.359 2.875) 8.154 3.031 ( 1.155 0.791 -2.989) 3.300 3.141 ( 1.878 14.599 -4.488) 15.389 3.152 ( -0.260 7.254 0.855) 7.308 3.401 ( 0.723 8.038 -2.523) 8.456 3.575 ( 2.846 7.265 3.932) 8.737 3.793 ( 0.534 7.861 -5.022) 9.343 3.869 ( 0.695 3.867 2.899) 4.883 4.879 ( 0.483 -1.634 -1.326) 2.159 5.031 ( 1.286 -1.985 -2.500) 3.442 5.078 ( -0.546 -1.322 0.505) 1.517 5.376 ( -0.009 -6.828 -0.167) 6.830 5.622 ( 1.690 1.522 0.068) 2.276 5.760 ( 0.742 -1.448 2.030) 2.602 5.826 ( -0.129 0.828 1.947) 2.120 6.170 ( -1.825 -1.104 -2.032) 2.946 6.329 ( -5.373 2.529 3.146) 6.720 6.393 ( -0.061 1.165 2.201) 2.491 6.460 ( -4.148 4.601 2.128) 6.551 6.581 ( 0.086 0.752 -3.269) 3.355 6.732 ( -0.329 5.108 0.741) 5.172 6.853 ( -4.366 -2.274 6.119) 7.853 7.072 ( 0.241 0.083 4.194) 4.202 7.147 ( -1.172 0.141 -5.782) 5.901 7.239 ( 1.876 -1.580 -1.155) 2.711 7.340 ( -2.107 2.213 -1.837) 3.565 7.521 ( 10.620 -0.494 -2.698) 10.968 7.598 ( 1.610 1.155 -1.750) 2.643 8.186 ( 0.539 -2.792 -1.496) 3.213 8.218 ( 4.874 -3.394 2.071) 6.290 9.096 ( -2.021 2.265 0.378) 3.059 9.146 ( -1.010 0.574 -0.278) 1.195 9.911 ( -2.477 -5.267 -0.455) 5.838 9.964 ( -0.893 -0.293 3.266) 3.398 10.013 ( 0.848 1.235 -0.943) 1.770 10.135 ( -0.183 1.485 -0.917) 1.755 10.890 ( 0.235 -4.799 -1.340) 4.988 10.925 ( 0.136 -5.097 -0.138) 5.101 10.973 ( -0.310 0.232 0.069) 0.393 11.151 ( 1.401 3.999 2.344) 4.843 ======================= Grid point 254 (120/156) ======================= q-point: ( 0.30 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 8.873 8.934 -0.966) 12.628 1.567 ( 0.351 8.929 8.196) 12.125 1.628 ( 0.191 14.028 -4.987) 14.889 1.798 ( -2.648 12.201 3.955) 13.097 1.878 ( -1.681 6.695 3.610) 7.789 2.018 ( 8.175 5.776 -7.832) 12.709 2.164 ( -2.251 14.310 0.209) 14.487 2.295 ( 2.229 -1.768 -0.808) 2.958 2.920 ( -5.267 -8.340 3.520) 10.474 3.052 ( 3.491 -0.953 -2.617) 4.466 3.136 ( 1.071 13.860 -2.193) 14.073 3.166 ( 1.421 7.860 0.019) 7.988 3.392 ( 0.528 8.276 -1.607) 8.447 3.626 ( -0.235 3.795 0.467) 3.831 3.766 ( 1.592 11.111 -3.252) 11.686 3.897 ( -0.279 5.802 2.006) 6.145 4.899 ( 2.197 -0.169 -1.158) 2.489 5.014 ( -1.056 -0.291 -1.590) 1.931 5.063 ( -1.270 -1.182 -0.068) 1.736 5.347 ( -0.698 -6.646 -3.667) 7.622 5.625 ( 0.388 0.747 -2.897) 3.017 5.749 ( -1.717 -2.887 -0.535) 3.401 5.863 ( 1.088 0.847 3.636) 3.889 6.109 ( -3.015 -0.457 -1.492) 3.395 6.316 ( -1.883 3.721 3.189) 5.250 6.386 ( -1.156 3.481 -0.921) 3.782 6.442 ( 1.210 -0.173 3.212) 3.436 6.562 ( -0.782 4.145 1.915) 4.633 6.735 ( -5.091 0.157 7.539) 9.098 6.875 ( 1.902 1.355 2.876) 3.704 7.063 ( -1.206 -0.835 -5.380) 5.576 7.094 ( -0.891 2.479 2.786) 3.835 7.243 ( -1.060 2.134 0.141) 2.387 7.311 ( 1.825 -0.222 -5.989) 6.265 7.566 ( 1.068 1.852 -2.737) 3.473 7.743 ( 10.222 -5.665 2.554) 11.963 8.168 ( -0.437 -1.899 -1.444) 2.426 8.308 ( 3.769 -5.882 -0.306) 6.993 9.065 ( -1.795 2.173 0.816) 2.934 9.119 ( -1.850 -0.112 0.074) 1.855 9.869 ( -1.581 -4.237 -0.456) 4.545 9.975 ( -0.639 2.340 2.073) 3.191 10.024 ( -0.114 2.284 0.469) 2.335 10.114 ( -0.396 2.598 -1.900) 3.243 10.893 ( 0.931 -5.270 -0.558) 5.380 10.931 ( 0.490 -4.694 0.131) 4.722 10.976 ( -0.016 -0.326 1.000) 1.052 11.176 ( 0.038 4.325 0.251) 4.333 ======================= Grid point 255 (121/156) ======================= q-point: ( 0.40 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -1.648 8.721 -0.124) 8.876 1.586 ( 4.549 8.304 0.609) 9.488 1.675 ( 1.151 12.148 7.660) 14.407 1.816 ( -1.057 13.140 3.687) 13.688 1.889 ( -0.791 5.357 2.480) 5.956 2.030 ( 1.149 10.697 -8.891) 13.957 2.169 ( 2.429 8.780 0.465) 9.121 2.302 ( 1.057 -1.397 -3.881) 4.258 2.882 ( -3.224 -7.084 4.990) 9.246 3.057 ( 0.199 -1.996 -4.188) 4.644 3.168 ( 3.136 11.832 0.852) 12.270 3.197 ( 2.477 8.453 -0.888) 8.853 3.395 ( 1.060 8.140 -0.351) 8.216 3.575 ( -2.830 3.788 -3.669) 5.985 3.801 ( 3.918 9.714 -0.803) 10.505 3.891 ( -2.099 7.071 1.092) 7.457 4.905 ( -0.184 2.104 -1.463) 2.569 4.972 ( -1.032 1.840 -3.179) 3.815 5.056 ( 0.280 -2.071 1.536) 2.594 5.280 ( -1.369 -5.110 -6.760) 8.584 5.645 ( 5.051 -0.713 -1.424) 5.296 5.720 ( -0.356 -3.459 -0.276) 3.488 5.898 ( -3.613 1.094 5.140) 6.377 6.025 ( -3.444 0.712 -3.744) 5.137 6.300 ( -0.109 1.655 -0.259) 1.679 6.367 ( -2.310 6.269 1.039) 6.761 6.498 ( -1.996 0.454 8.243) 8.493 6.609 ( 3.822 1.599 1.400) 4.373 6.725 ( -3.501 -1.460 8.555) 9.358 6.891 ( -1.117 -0.673 -1.584) 2.052 7.043 ( 0.876 0.500 0.338) 1.064 7.104 ( 0.785 4.080 0.554) 4.191 7.214 ( -2.266 4.073 -0.109) 4.662 7.281 ( 2.222 -0.435 -7.643) 7.972 7.607 ( 4.652 2.730 1.543) 5.610 7.876 ( 2.079 -9.891 0.488) 10.119 8.167 ( 2.086 -0.869 -0.866) 2.420 8.329 ( -0.144 -7.611 -2.401) 7.982 9.059 ( 0.022 1.798 1.161) 2.141 9.089 ( -1.807 0.019 0.766) 1.962 9.857 ( 0.670 -2.487 0.131) 2.579 9.973 ( -1.467 1.585 0.437) 2.204 10.011 ( -1.944 4.415 1.861) 5.170 10.095 ( 0.901 4.024 -3.116) 5.169 10.907 ( 0.878 -4.777 -0.061) 4.857 10.938 ( 0.066 -4.219 -0.137) 4.221 10.997 ( 0.931 -0.636 2.318) 2.577 11.160 ( -0.930 3.811 -1.782) 4.309 ======================= Grid point 256 (122/156) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -3.983 5.831 6.881) 9.860 1.632 ( 0.697 9.110 -2.112) 9.378 1.763 ( 1.007 7.896 7.641) 11.033 1.806 ( -1.224 13.883 2.289) 14.123 1.864 ( -3.523 11.420 -0.636) 11.968 2.002 ( 6.380 9.291 -8.974) 14.407 2.186 ( -2.816 3.426 3.140) 5.434 2.277 ( 0.898 2.341 -4.844) 5.454 2.898 ( -0.716 -4.247 5.483) 6.972 3.010 ( -0.976 -2.548 -3.528) 4.460 3.212 ( 1.381 10.571 -0.595) 10.677 3.228 ( 1.620 9.416 -1.378) 9.653 3.435 ( 3.172 7.231 0.968) 7.955 3.488 ( -2.325 3.668 -4.316) 6.122 3.841 ( -3.467 7.328 0.927) 8.159 3.874 ( 4.353 8.502 -1.408) 9.655 4.890 ( -0.307 2.998 0.132) 3.016 4.935 ( 0.930 3.154 -3.879) 5.085 5.094 ( 1.817 -3.060 2.275) 4.224 5.199 ( 0.052 -3.214 -7.354) 8.026 5.710 ( -2.930 -2.647 2.144) 4.493 5.737 ( 2.185 -2.960 -0.498) 3.713 5.854 ( -2.935 -0.235 4.576) 5.442 5.946 ( 0.589 0.097 -3.944) 3.989 6.307 ( -5.198 6.630 1.865) 8.628 6.323 ( 1.878 4.556 0.606) 4.965 6.538 ( -2.691 0.815 8.994) 9.423 6.665 ( 1.838 -0.248 -0.603) 1.950 6.755 ( -2.139 -2.477 5.258) 6.193 6.872 ( 2.190 -2.566 -2.454) 4.171 7.045 ( -3.378 3.033 5.032) 6.778 7.145 ( 4.593 4.929 -2.077) 7.050 7.169 ( -2.098 4.096 -0.649) 4.648 7.253 ( 2.663 -0.539 -7.737) 8.200 7.736 ( 4.912 -0.094 4.672) 6.780 7.830 ( -3.934 -4.068 -3.711) 6.767 8.215 ( 2.007 -5.997 1.574) 6.516 8.271 ( -2.559 -7.336 -3.354) 8.462 9.072 ( -0.772 0.867 1.053) 1.567 9.082 ( 1.301 1.160 0.196) 1.754 9.894 ( 2.142 -1.002 1.205) 2.654 9.925 ( -2.182 0.785 -1.585) 2.809 10.008 ( -1.577 4.144 3.416) 5.597 10.086 ( 1.502 5.344 -3.602) 6.617 10.922 ( 0.695 -4.194 0.220) 4.257 10.929 ( -0.594 -4.270 -0.404) 4.330 11.047 ( 1.685 0.354 3.167) 3.605 11.114 ( -1.662 2.388 -2.932) 4.131 ======================= Grid point 257 (123/156) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -9.304 8.027 6.688) 13.990 1.583 ( -4.330 8.470 0.790) 9.545 1.737 ( -5.055 14.712 -1.669) 15.645 1.848 ( 0.375 15.236 4.005) 15.758 1.914 ( 6.862 5.505 2.227) 9.075 2.018 ( 3.822 1.722 -9.868) 10.722 2.150 ( -4.480 5.461 2.831) 7.609 2.247 ( -0.691 6.381 -0.236) 6.422 2.940 ( -0.377 -1.175 4.643) 4.805 2.973 ( -0.287 -4.913 -1.552) 5.160 3.207 ( 0.438 12.034 -3.713) 12.601 3.226 ( 0.088 6.684 -2.034) 6.988 3.413 ( -1.664 5.891 -2.412) 6.580 3.524 ( 4.691 6.392 1.058) 7.999 3.780 ( -3.716 6.501 0.845) 7.536 3.932 ( 3.566 8.867 -2.269) 9.823 4.898 ( 0.804 2.150 0.052) 2.296 4.940 ( 2.543 2.879 -1.823) 4.252 5.139 ( 1.695 -3.534 -3.292) 5.119 5.177 ( 3.756 -2.698 -0.356) 4.638 5.608 ( -8.386 -0.569 2.337) 8.724 5.709 ( -2.626 -4.787 0.540) 5.486 5.918 ( 2.570 0.044 5.738) 6.287 5.991 ( 4.817 0.047 -3.267) 5.820 6.244 ( -3.965 4.855 3.703) 7.281 6.366 ( 0.948 5.658 1.883) 6.038 6.542 ( -5.383 1.491 6.257) 8.387 6.654 ( 0.244 -0.559 -4.814) 4.852 6.766 ( -0.961 -2.964 6.143) 6.888 6.902 ( 3.688 -2.319 -4.670) 6.387 7.028 ( -3.404 2.861 4.579) 6.382 7.132 ( -1.977 2.915 0.697) 3.591 7.212 ( 4.944 1.665 -5.896) 7.873 7.250 ( 4.233 3.499 -2.766) 6.149 7.660 ( -7.765 0.015 -2.952) 8.307 7.868 ( 2.540 -5.146 1.472) 5.924 8.169 ( -4.148 -3.254 -1.322) 5.435 8.277 ( 1.015 -7.397 1.950) 7.717 9.072 ( 0.203 1.725 0.084) 1.739 9.107 ( 1.635 0.579 -0.671) 1.860 9.868 ( -1.489 -0.483 -0.777) 1.748 9.964 ( 2.887 -0.760 1.022) 3.156 10.009 ( -1.396 3.588 2.653) 4.676 10.086 ( 2.098 5.141 -2.796) 6.217 10.910 ( -0.933 -4.231 -0.333) 4.346 10.935 ( 0.363 -4.274 0.089) 4.291 11.056 ( -1.634 0.476 -2.994) 3.444 11.107 ( 1.724 1.988 3.047) 4.026 ======================= Grid point 258 (124/156) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -10.584 11.685 7.358) 17.398 1.513 ( -8.424 12.490 5.471) 16.028 1.660 ( 0.376 9.397 -1.476) 9.520 1.874 ( -2.639 13.342 2.346) 13.801 1.950 ( -0.424 6.946 -7.385) 10.147 1.977 ( -0.629 5.585 -4.259) 7.052 2.124 ( 1.027 11.435 3.897) 12.124 2.268 ( 1.199 1.228 1.602) 2.348 2.965 ( -0.685 -0.299 3.337) 3.419 2.967 ( -0.553 -5.008 1.121) 5.161 3.170 ( 1.074 8.268 -6.736) 10.718 3.207 ( 0.390 7.824 -2.222) 8.143 3.380 ( -0.929 7.973 -0.454) 8.040 3.614 ( 4.147 6.463 1.240) 7.778 3.732 ( -2.603 7.173 0.417) 7.642 3.952 ( 1.548 8.533 -2.993) 9.175 4.900 ( -0.257 0.457 -1.332) 1.431 4.980 ( 2.148 0.403 0.478) 2.237 5.141 ( 4.116 -1.892 -6.136) 7.627 5.267 ( 3.807 -5.466 2.890) 7.261 5.533 ( -2.845 0.595 5.060) 5.835 5.710 ( 1.029 -4.717 2.953) 5.660 5.917 ( -4.131 0.629 -0.248) 4.186 6.079 ( 4.836 0.189 0.969) 4.936 6.238 ( -2.924 2.511 6.288) 7.375 6.375 ( -0.695 6.688 1.432) 6.874 6.457 ( -7.604 0.450 2.180) 7.923 6.634 ( 1.122 1.264 -2.728) 3.209 6.832 ( 2.578 -2.928 4.581) 6.017 6.872 ( -3.768 2.101 -3.551) 5.587 7.047 ( 4.169 -0.717 -0.538) 4.265 7.109 ( -2.514 1.444 2.959) 4.143 7.222 ( 2.621 0.354 -4.493) 5.213 7.316 ( 4.889 4.775 -3.457) 7.658 7.534 ( -4.418 1.048 0.105) 4.541 7.815 ( -7.555 -7.800 -3.618) 11.446 8.132 ( -0.204 2.166 1.693) 2.757 8.283 ( -2.328 -6.671 1.675) 7.261 9.083 ( 1.417 2.208 -0.573) 2.685 9.128 ( 1.440 0.250 -0.635) 1.594 9.862 ( 1.134 -2.547 0.130) 2.791 9.985 ( -1.430 1.360 1.640) 2.566 10.029 ( 1.960 0.245 -0.353) 2.006 10.108 ( 2.392 3.651 -1.435) 4.594 10.891 ( -1.061 -4.780 -0.224) 4.902 10.934 ( -0.320 -4.745 -0.205) 4.760 11.011 ( -0.702 -0.194 -2.200) 2.317 11.161 ( 1.862 3.051 1.732) 3.971 ======================= Grid point 259 (125/156) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -10.888 14.700 4.597) 18.862 1.383 ( -13.343 10.983 11.263) 20.628 1.684 ( 1.582 5.383 -4.140) 6.973 1.790 ( -5.319 20.675 3.620) 21.653 1.898 ( -0.601 14.222 -4.736) 15.002 1.974 ( 4.008 4.624 -1.026) 6.204 2.188 ( 1.827 8.963 2.246) 9.419 2.290 ( 0.929 -0.752 -1.106) 1.628 2.955 ( -2.204 -3.220 3.302) 5.112 3.007 ( 1.815 0.914 2.661) 3.348 3.130 ( 1.272 5.031 -6.082) 7.995 3.198 ( 1.137 9.680 -2.811) 10.144 3.366 ( -0.850 8.400 0.675) 8.470 3.661 ( -0.136 4.811 -3.197) 5.779 3.709 ( 0.167 9.540 2.662) 9.906 3.937 ( 0.290 7.122 -3.349) 7.876 4.877 ( -0.301 -0.560 -1.064) 1.240 5.002 ( -0.154 -3.318 0.097) 3.323 5.155 ( 3.388 -1.683 -6.359) 7.399 5.347 ( 3.000 -6.267 1.791) 7.175 5.588 ( 1.249 -0.259 5.101) 5.258 5.759 ( 0.920 -1.445 0.828) 1.903 5.870 ( -0.441 -1.304 -0.326) 1.415 6.106 ( -1.262 -1.393 2.697) 3.287 6.254 ( -3.842 1.214 10.050) 10.827 6.335 ( -4.581 0.436 1.403) 4.811 6.451 ( 4.052 6.548 3.676) 8.533 6.613 ( -1.043 2.028 -2.773) 3.590 6.747 ( -6.005 4.368 -0.891) 7.479 6.927 ( 3.421 -1.649 2.194) 4.385 7.083 ( 0.839 2.580 -0.740) 2.812 7.143 ( 4.283 -2.264 -0.049) 4.845 7.215 ( -0.232 1.425 -1.964) 2.437 7.357 ( 4.184 2.342 -3.911) 6.187 7.474 ( -5.921 -1.147 1.314) 6.172 7.623 ( -6.951 -0.463 -3.468) 7.782 8.148 ( -0.666 0.070 1.890) 2.005 8.235 ( -3.804 -4.097 0.384) 5.604 9.108 ( 1.833 2.447 -0.560) 3.109 9.145 ( 0.970 0.428 -0.211) 1.081 9.899 ( 2.000 -4.279 0.764) 4.785 9.976 ( -0.747 0.574 1.422) 1.705 10.044 ( 1.290 -2.384 -2.692) 3.820 10.136 ( 1.893 2.722 -1.044) 3.476 10.871 ( -1.032 -5.512 0.258) 5.614 10.928 ( -0.028 -5.336 -0.227) 5.341 10.988 ( -0.128 0.220 -1.275) 1.300 11.195 ( 1.414 3.493 -1.361) 4.006 ======================= Grid point 260 (126/156) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -6.941 15.891 7.350) 18.834 1.304 ( -9.490 10.750 15.641) 21.219 1.611 ( -2.190 5.568 -9.452) 11.186 1.775 ( -0.169 15.632 -4.535) 16.277 1.851 ( -0.165 23.911 3.591) 24.180 2.057 ( 2.951 -1.206 2.205) 3.876 2.218 ( -0.254 11.470 1.248) 11.540 2.282 ( 0.670 0.174 -3.268) 3.341 2.961 ( -0.567 -2.221 3.480) 4.167 3.065 ( 0.367 11.873 3.926) 12.511 3.109 ( 2.792 -4.372 -5.280) 7.401 3.197 ( 1.742 10.659 -2.936) 11.193 3.362 ( -0.706 8.321 1.747) 8.532 3.587 ( -2.884 8.215 -4.966) 10.024 3.747 ( 0.848 5.560 2.090) 6.000 3.905 ( -0.088 5.213 -3.880) 6.499 4.895 ( 3.004 -1.056 0.295) 3.198 4.989 ( -0.925 -4.700 0.101) 4.791 5.139 ( 1.524 -2.053 -5.510) 6.074 5.376 ( -1.721 -6.694 -1.994) 7.194 5.591 ( -1.891 1.395 0.096) 2.352 5.758 ( -2.042 -0.712 -2.393) 3.225 5.854 ( 1.968 0.224 0.116) 1.984 6.141 ( -1.273 -3.155 3.665) 5.001 6.303 ( -4.538 -1.125 11.251) 12.183 6.350 ( 2.964 1.694 10.284) 10.836 6.525 ( -1.588 4.987 1.560) 5.461 6.573 ( 2.646 2.905 -2.632) 4.729 6.706 ( 0.566 3.904 2.428) 4.632 6.942 ( -0.609 -1.012 0.167) 1.193 7.114 ( -4.392 -0.708 -2.601) 5.153 7.142 ( 2.776 3.879 -1.631) 5.041 7.248 ( 4.306 -1.740 0.372) 4.659 7.342 ( -4.787 -3.447 -1.018) 5.986 7.405 ( 3.398 2.969 -1.816) 4.864 7.549 ( -1.833 2.979 0.094) 3.499 8.138 ( -1.874 -1.094 1.206) 2.483 8.172 ( -2.940 -0.410 -0.542) 3.018 9.130 ( 1.088 1.761 -0.337) 2.097 9.157 ( 0.379 1.468 -0.187) 1.528 9.925 ( -0.272 -4.536 1.537) 4.797 9.994 ( 0.911 -0.515 0.630) 1.222 10.033 ( 1.660 -5.312 -3.206) 6.423 10.143 ( 0.119 2.003 -2.030) 2.854 10.871 ( 0.233 -5.197 1.652) 5.458 10.928 ( 0.266 -5.582 -0.340) 5.599 10.984 ( 0.634 0.792 -0.395) 1.089 11.171 ( -1.157 3.513 -4.650) 5.941 ======================= Grid point 261 (127/156) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -3.013 13.548 10.613) 17.472 1.562 ( 0.216 12.929 9.807) 16.229 1.635 ( -0.619 9.046 -8.361) 12.333 1.824 ( 1.381 5.353 -11.740) 12.976 2.096 ( 0.445 0.432 5.070) 5.108 2.186 ( -0.890 0.190 -2.810) 2.954 2.517 ( -1.829 22.954 3.618) 23.309 2.569 ( 1.700 23.090 -0.801) 23.167 2.811 ( -1.176 -13.173 4.094) 13.844 2.889 ( 1.730 -14.718 -2.403) 15.013 3.356 ( -0.327 10.617 3.334) 11.133 3.435 ( 0.528 9.327 -3.471) 9.966 3.593 ( 2.668 11.465 2.758) 12.090 3.691 ( -1.422 11.037 -5.747) 12.524 3.857 ( -0.471 4.210 0.835) 4.318 3.945 ( 1.961 3.609 -6.736) 7.890 4.883 ( -0.114 -2.514 1.003) 2.709 4.936 ( 2.543 -2.371 -3.110) 4.665 5.148 ( 3.184 1.158 1.836) 3.853 5.217 ( -4.823 0.169 -3.615) 6.030 5.631 ( 0.699 1.861 2.050) 2.855 5.684 ( -1.826 1.037 -2.723) 3.439 5.964 ( 6.179 0.043 2.530) 6.677 6.000 ( -6.806 -1.574 -0.587) 7.011 6.395 ( -0.425 1.810 11.991) 12.134 6.496 ( -3.134 3.517 7.412) 8.782 6.591 ( 4.566 -5.262 4.884) 8.508 6.717 ( 0.928 7.215 2.284) 7.624 6.803 ( -2.414 4.768 -1.398) 5.524 6.866 ( -3.741 -2.805 -9.878) 10.929 6.955 ( -2.473 -0.756 5.235) 5.839 7.080 ( -1.065 -2.234 -6.316) 6.784 7.262 ( -1.594 1.508 1.546) 2.685 7.344 ( 6.109 0.037 -4.957) 7.867 7.568 ( 3.466 4.003 1.106) 5.409 7.593 ( -1.147 3.559 -1.191) 3.924 8.119 ( 1.294 -0.398 2.078) 2.480 8.161 ( -1.409 1.285 -1.635) 2.512 9.166 ( 0.642 1.015 0.354) 1.252 9.177 ( -0.782 0.898 -0.601) 1.334 9.853 ( -0.508 -2.817 1.125) 3.075 9.877 ( -0.928 -5.328 -1.102) 5.519 10.008 ( 1.508 -4.437 3.188) 5.668 10.096 ( -0.318 -2.318 -4.814) 5.352 10.821 ( 0.307 -2.858 1.984) 3.492 10.847 ( 0.608 -2.445 -0.430) 2.556 11.015 ( 2.319 -1.946 2.304) 3.805 11.095 ( -2.949 -1.515 -4.840) 5.866 ======================= Grid point 262 (128/156) ======================= q-point: ( 0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -1.143 12.036 10.771) 16.192 1.563 ( 1.420 11.037 -6.417) 12.845 1.700 ( 3.864 8.835 10.073) 13.944 1.784 ( 6.022 6.335 -11.006) 14.054 2.116 ( -2.916 -0.728 -1.893) 3.552 2.151 ( -0.197 0.701 3.047) 3.133 2.465 ( -4.875 23.100 1.388) 23.650 2.602 ( 1.267 22.087 -0.923) 22.142 2.811 ( -2.556 -13.627 2.541) 14.096 2.890 ( 1.519 -12.788 -3.160) 13.260 3.370 ( -1.420 9.902 1.995) 10.201 3.404 ( -0.112 9.230 -2.640) 9.601 3.621 ( -0.000 10.430 -4.289) 11.278 3.684 ( 3.556 12.151 1.877) 12.799 3.878 ( 1.269 2.905 2.244) 3.884 3.941 ( 3.700 5.546 -5.447) 8.610 4.866 ( -1.552 -1.736 -0.407) 2.364 4.953 ( 2.854 -3.274 -3.428) 5.533 5.117 ( -2.579 2.206 -1.756) 3.821 5.245 ( 3.220 -1.441 3.297) 4.829 5.650 ( 0.535 2.544 -1.600) 3.052 5.687 ( 2.329 0.705 3.494) 4.258 5.881 ( -4.734 0.642 -0.395) 4.794 6.106 ( 5.816 -2.351 1.192) 6.386 6.427 ( -4.217 3.066 3.872) 6.495 6.470 ( -5.903 0.345 1.962) 6.230 6.591 ( -3.363 2.216 -0.330) 4.041 6.679 ( -4.974 4.783 -0.577) 6.924 6.761 ( 0.667 -3.303 2.771) 4.363 6.890 ( -3.476 1.604 0.472) 3.857 6.929 ( 4.232 -0.268 6.917) 8.114 7.106 ( 4.980 -2.117 -0.739) 5.462 7.246 ( -0.552 1.673 -1.307) 2.193 7.405 ( 6.432 0.121 -5.756) 8.632 7.511 ( -4.023 4.211 -2.128) 6.200 7.630 ( 1.883 2.427 -1.412) 3.381 8.126 ( 0.188 0.162 -0.605) 0.654 8.157 ( 0.014 -0.858 1.085) 1.383 9.150 ( -1.224 0.872 -0.036) 1.503 9.181 ( -0.195 1.118 0.091) 1.139 9.828 ( -1.978 -5.730 0.712) 6.104 9.905 ( 2.534 -1.084 1.305) 3.050 10.007 ( -1.056 -3.523 -0.923) 3.792 10.111 ( 3.547 -2.027 -0.909) 4.185 10.828 ( -0.563 -2.690 -0.124) 2.751 10.848 ( 0.290 -2.567 -1.164) 2.833 11.006 ( -2.022 -1.015 -2.544) 3.405 11.098 ( 3.118 -1.943 3.256) 4.910 ======================= Grid point 263 (129/156) ======================= q-point: ( 0.20 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 3.391 13.828 2.663) 14.484 1.591 ( 1.987 6.503 5.299) 8.620 1.803 ( 6.853 6.974 -7.084) 12.074 1.861 ( 3.652 3.733 5.278) 7.425 2.007 ( -5.148 1.094 -4.484) 6.915 2.190 ( 0.650 0.405 3.607) 3.688 2.408 ( -2.689 24.043 1.642) 24.248 2.585 ( -1.291 19.112 -2.132) 19.274 2.769 ( -4.106 -13.009 1.534) 13.728 2.889 ( 2.028 -9.909 -3.473) 10.694 3.348 ( -1.138 8.156 -0.075) 8.235 3.391 ( -0.145 9.432 -0.917) 9.478 3.599 ( 1.555 11.312 -3.619) 11.979 3.745 ( 1.396 10.152 1.233) 10.322 3.938 ( 2.768 4.006 2.516) 5.481 3.955 ( 2.457 6.786 -4.245) 8.372 4.854 ( 0.848 -0.930 0.123) 1.264 4.974 ( 3.422 -3.609 -3.524) 6.095 5.085 ( -1.470 2.123 0.499) 2.630 5.284 ( -0.320 -2.747 0.078) 2.766 5.664 ( 1.245 2.666 -0.755) 3.038 5.735 ( -0.552 -0.931 1.235) 1.642 5.844 ( -0.185 1.183 1.352) 1.806 6.136 ( -0.935 -2.384 -2.463) 3.553 6.365 ( -1.332 0.973 -1.422) 2.178 6.406 ( -1.037 0.836 1.048) 1.695 6.559 ( -6.735 5.408 4.621) 9.796 6.620 ( -0.219 2.641 1.039) 2.846 6.774 ( -4.623 -0.893 6.464) 7.998 6.862 ( -0.070 2.652 2.899) 3.930 7.068 ( 3.292 -0.631 4.654) 5.736 7.150 ( 0.094 -0.457 -2.346) 2.392 7.221 ( 1.545 1.136 -3.741) 4.204 7.385 ( -1.689 2.101 -4.222) 5.009 7.525 ( 7.022 0.985 -2.429) 7.495 7.624 ( -0.034 0.988 -1.757) 2.016 8.138 ( -0.022 -2.269 -0.964) 2.465 8.169 ( 1.622 -2.030 2.307) 3.474 9.130 ( -1.441 0.680 0.433) 1.651 9.155 ( -2.512 0.834 -0.465) 2.687 9.805 ( -1.341 -4.606 0.793) 4.862 9.968 ( 2.575 0.962 1.641) 3.201 10.008 ( 2.127 -2.243 -0.719) 3.174 10.149 ( 1.395 -0.445 -0.802) 1.670 10.801 ( -0.702 -3.017 -2.035) 3.706 10.849 ( 0.685 -2.354 -0.089) 2.453 10.976 ( -0.222 -0.729 -0.612) 0.977 11.173 ( 2.120 -1.866 2.447) 3.736 ======================= Grid point 264 (130/156) ======================= q-point: ( 0.30 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 3.731 11.069 3.018) 12.065 1.694 ( 2.855 5.638 6.662) 9.182 1.801 ( -3.309 5.757 -3.637) 7.571 1.930 ( 4.853 1.845 -3.342) 6.174 1.938 ( 0.262 3.681 1.395) 3.945 2.218 ( 0.740 0.955 -2.145) 2.462 2.408 ( -0.360 22.021 3.606) 22.318 2.535 ( -1.820 17.966 -1.786) 18.146 2.711 ( -4.178 -12.446 2.849) 13.434 2.902 ( 2.991 -8.057 -3.504) 9.281 3.343 ( 0.143 7.307 1.002) 7.376 3.377 ( 0.060 8.560 -1.437) 8.680 3.603 ( 1.910 12.463 -2.620) 12.878 3.752 ( -0.940 8.617 -0.447) 8.680 3.946 ( 1.389 6.679 -4.177) 7.999 4.000 ( 1.522 4.980 1.729) 5.487 4.896 ( 3.013 -0.252 0.654) 3.093 5.000 ( 1.682 -1.671 -1.786) 2.968 5.060 ( -1.310 1.454 -0.030) 1.957 5.256 ( -0.763 -2.650 -3.268) 4.276 5.641 ( -0.834 0.747 -3.397) 3.577 5.708 ( -1.870 -1.301 -1.805) 2.906 5.880 ( 2.031 1.170 3.190) 3.959 6.102 ( -1.464 -0.572 -0.457) 1.636 6.368 ( -3.399 1.586 -0.189) 3.755 6.405 ( 2.924 -0.078 2.740) 4.008 6.502 ( -3.061 5.156 2.685) 6.570 6.626 ( -1.980 2.281 3.757) 4.821 6.735 ( -5.240 0.491 6.071) 8.035 6.906 ( -0.139 0.656 2.685) 2.767 7.053 ( -1.642 0.035 -2.846) 3.286 7.172 ( 2.267 5.064 1.064) 5.649 7.231 ( 1.946 -2.014 -2.459) 3.727 7.343 ( 0.150 2.475 -2.849) 3.777 7.593 ( 3.154 0.600 -3.180) 4.519 7.652 ( 4.311 -3.561 0.590) 5.623 8.136 ( 0.009 -1.659 1.056) 1.966 8.215 ( 1.495 -3.826 -0.154) 4.111 9.100 ( -2.760 0.965 0.379) 2.948 9.105 ( -2.056 -0.829 0.295) 2.237 9.802 ( 0.132 -2.056 1.067) 2.320 10.010 ( 1.109 1.988 0.425) 2.316 10.054 ( 2.545 -0.162 0.581) 2.615 10.149 ( 0.292 0.934 -1.793) 2.042 10.785 ( 0.439 -4.223 -0.623) 4.291 10.867 ( 1.125 -1.472 0.115) 1.856 10.974 ( 0.087 -0.951 0.185) 0.973 11.210 ( 0.792 -0.985 -0.038) 1.264 ======================= Grid point 265 (131/156) ======================= q-point: ( 0.40 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -5.125 6.564 2.918) 8.824 1.733 ( 3.214 8.496 1.410) 9.193 1.823 ( 1.981 5.439 6.499) 8.703 1.939 ( -0.683 2.996 0.602) 3.132 2.003 ( 6.012 2.582 -4.292) 7.825 2.168 ( -1.398 2.043 -6.399) 6.861 2.427 ( -1.900 16.786 3.192) 17.192 2.498 ( -0.214 17.626 -2.157) 17.758 2.700 ( -1.484 -10.156 6.217) 12.000 2.915 ( 1.965 -7.005 -4.043) 8.324 3.366 ( 0.552 7.072 2.205) 7.429 3.379 ( 1.799 7.399 -1.635) 7.788 3.613 ( 1.841 12.818 -2.267) 13.147 3.707 ( -2.708 9.084 -1.833) 9.655 3.951 ( 3.548 5.300 -3.480) 7.266 4.012 ( -1.296 5.261 0.256) 5.424 4.945 ( 1.425 1.398 0.125) 2.000 4.995 ( -0.821 0.434 0.818) 1.238 5.050 ( 0.774 1.749 -1.455) 2.403 5.206 ( -0.040 -2.186 -5.908) 6.300 5.627 ( 2.072 -1.040 -1.155) 2.590 5.672 ( 0.841 -1.511 -2.221) 2.815 5.921 ( -3.409 1.220 4.106) 5.475 6.036 ( -3.841 0.257 -3.830) 5.430 6.332 ( -0.145 1.713 2.452) 2.994 6.472 ( -0.497 -2.262 6.671) 7.062 6.488 ( -1.815 5.909 1.488) 6.358 6.633 ( -0.151 0.701 2.619) 2.716 6.724 ( -2.352 0.960 5.433) 5.998 6.855 ( -2.901 -2.594 -3.618) 5.313 7.063 ( 0.001 1.438 4.820) 5.030 7.209 ( 4.107 5.640 -4.806) 8.473 7.238 ( 0.479 -0.130 -0.343) 0.603 7.327 ( 0.120 4.104 -2.164) 4.641 7.642 ( 4.113 0.507 0.115) 4.145 7.720 ( 2.686 -6.072 0.494) 6.657 8.143 ( -0.396 -1.740 0.165) 1.792 8.205 ( -1.169 -5.050 -2.282) 5.663 9.070 ( -1.282 -0.969 0.923) 1.853 9.082 ( -1.018 -0.092 0.945) 1.392 9.832 ( 1.669 0.221 1.964) 2.587 10.011 ( -0.520 2.517 -1.570) 3.012 10.083 ( -1.498 2.300 2.914) 4.003 10.144 ( 2.367 0.927 -3.678) 4.471 10.803 ( 1.276 -4.436 0.809) 4.686 10.879 ( 0.108 -1.270 -0.478) 1.361 10.992 ( 1.406 -1.014 1.766) 2.474 11.198 ( -0.880 -0.334 -2.572) 2.739 ======================= Grid point 266 (132/156) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -5.009 5.942 7.074) 10.508 1.777 ( 1.850 6.919 -3.500) 7.971 1.882 ( -1.583 6.683 8.036) 10.571 1.963 ( 2.552 3.972 1.616) 4.990 2.035 ( 0.423 1.836 -3.612) 4.074 2.076 ( -0.528 1.591 -7.284) 7.474 2.408 ( -3.225 15.107 3.908) 15.935 2.493 ( 2.590 16.082 -3.524) 16.666 2.753 ( -0.205 -6.985 7.011) 9.899 2.890 ( 0.129 -6.512 -4.980) 8.199 3.387 ( -0.214 6.357 0.742) 6.403 3.403 ( 2.050 6.828 -1.238) 7.236 3.634 ( 1.483 11.939 -1.056) 12.077 3.643 ( -0.696 10.911 -2.366) 11.186 3.963 ( -3.474 5.093 -0.230) 6.169 4.006 ( 5.504 4.625 -3.444) 7.972 4.952 ( -0.737 3.108 1.528) 3.541 4.992 ( 0.428 1.538 -1.528) 2.210 5.065 ( 1.429 1.178 0.625) 1.955 5.156 ( 1.615 -1.016 -7.230) 7.477 5.658 ( -0.721 -2.383 1.432) 2.872 5.683 ( -0.180 -2.396 -0.921) 2.573 5.864 ( -3.942 0.894 4.123) 5.774 5.946 ( 0.287 -0.187 -3.708) 3.724 6.398 ( 2.214 2.988 3.825) 5.335 6.436 ( -4.708 5.830 0.636) 7.521 6.521 ( -1.918 -1.958 8.655) 9.078 6.653 ( 0.761 -0.847 -1.242) 1.685 6.725 ( -3.189 -0.520 4.264) 5.350 6.809 ( 1.554 -3.439 -2.364) 4.454 7.098 ( -1.553 2.784 5.121) 6.032 7.223 ( 2.202 1.494 -4.117) 4.902 7.258 ( 1.377 5.616 -0.846) 5.844 7.297 ( 1.563 5.338 -4.470) 7.135 7.700 ( -0.804 -3.664 3.041) 4.829 7.762 ( 2.696 -3.049 -2.038) 4.552 8.123 ( -1.894 -3.690 0.759) 4.216 8.162 ( 0.084 -4.071 -2.534) 4.796 9.069 ( 0.010 -0.817 1.202) 1.453 9.085 ( 0.622 -0.742 -0.032) 0.969 9.891 ( 2.272 1.085 3.052) 3.957 9.963 ( -2.232 2.974 -3.302) 4.973 10.071 ( -2.998 2.047 3.876) 5.311 10.157 ( 2.728 1.802 -3.848) 5.049 10.836 ( 1.299 -3.430 1.187) 3.855 10.861 ( -0.991 -2.158 -1.120) 2.625 11.053 ( 2.362 -0.539 3.451) 4.217 11.136 ( -2.360 -0.653 -4.039) 4.723 ======================= Grid point 267 (133/156) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -6.471 7.557 8.403) 13.023 1.744 ( -1.984 8.366 -0.785) 8.634 1.911 ( -5.329 4.801 -1.796) 7.395 1.960 ( 0.809 1.570 0.621) 1.872 2.036 ( 4.216 4.952 -2.870) 7.109 2.047 ( 0.454 0.507 0.574) 0.890 2.404 ( -1.211 16.826 4.006) 17.339 2.513 ( 2.608 16.026 -3.135) 16.537 2.801 ( -1.492 -6.438 5.939) 8.885 2.840 ( -0.033 -7.889 -5.405) 9.563 3.370 ( -1.186 6.945 -0.980) 7.113 3.417 ( 1.212 7.362 -2.105) 7.752 3.596 ( -0.978 11.192 -1.167) 11.295 3.697 ( 4.392 10.773 -0.622) 11.651 3.901 ( -2.963 5.437 0.378) 6.204 4.065 ( 4.624 4.693 -4.128) 7.775 4.950 ( -1.165 2.726 0.851) 3.084 4.984 ( -0.113 0.815 -0.765) 1.123 5.098 ( 2.330 0.571 -1.257) 2.708 5.150 ( 4.126 -0.221 -4.343) 5.994 5.594 ( -6.729 -0.756 2.202) 7.121 5.630 ( -3.304 -3.282 1.219) 4.813 5.926 ( 3.949 0.710 5.969) 7.192 5.988 ( 4.177 -0.453 -2.175) 4.731 6.342 ( -5.327 5.048 1.327) 7.458 6.461 ( 0.296 3.415 3.722) 5.060 6.549 ( -4.032 -0.383 5.539) 6.862 6.620 ( 0.028 -2.387 -2.965) 3.807 6.728 ( -1.130 -0.649 5.168) 5.330 6.845 ( 4.041 -3.334 -1.559) 5.466 7.097 ( -3.358 4.117 3.786) 6.524 7.207 ( -2.131 4.798 -1.715) 5.523 7.231 ( 3.130 1.344 -6.371) 7.225 7.350 ( 5.079 5.253 -2.207) 7.633 7.649 ( -5.802 -1.275 0.152) 5.942 7.754 ( -1.300 -6.385 -2.730) 7.064 8.128 ( 1.093 -1.539 2.268) 2.951 8.167 ( 1.142 -3.887 -0.121) 4.053 9.086 ( 0.999 -0.278 0.097) 1.041 9.099 ( 1.500 -1.052 -0.875) 2.030 9.888 ( -2.299 2.607 -3.056) 4.629 9.955 ( 1.061 0.258 3.340) 3.514 10.051 ( -3.097 0.696 3.492) 4.719 10.166 ( 2.243 2.669 -3.443) 4.900 10.826 ( -1.471 -3.545 -1.163) 4.010 10.867 ( 0.777 -1.995 0.564) 2.215 11.047 ( -2.780 -1.868 -3.064) 4.539 11.132 ( 2.176 -0.066 3.092) 3.781 ======================= Grid point 268 (134/156) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -7.188 10.900 8.895) 15.799 1.697 ( -7.828 8.412 3.788) 12.099 1.787 ( -1.972 5.291 -2.584) 6.210 1.948 ( 0.616 0.105 -5.375) 5.411 2.051 ( 3.017 3.614 -4.928) 6.815 2.120 ( 1.786 2.996 5.459) 6.478 2.432 ( 0.137 19.363 3.313) 19.645 2.515 ( 0.737 17.842 -2.261) 18.000 2.799 ( -0.729 -9.556 -1.032) 9.639 2.813 ( -0.895 -8.600 1.322) 8.747 3.341 ( -0.986 8.040 -0.745) 8.134 3.415 ( 1.763 8.286 -3.072) 9.011 3.577 ( -0.727 11.338 -0.541) 11.374 3.762 ( 3.443 8.674 -1.036) 9.390 3.880 ( -0.493 7.230 1.499) 7.400 4.081 ( 2.117 4.692 -5.321) 7.403 4.918 ( -2.160 0.863 -1.087) 2.567 4.968 ( -1.970 -1.581 0.542) 2.584 5.128 ( 4.436 0.953 -5.194) 6.896 5.204 ( 3.635 -1.072 0.248) 3.798 5.543 ( -2.229 0.522 5.403) 5.869 5.633 ( 0.998 -3.232 4.483) 5.616 5.941 ( -3.991 1.684 -1.568) 4.607 6.074 ( 4.195 -0.604 2.148) 4.752 6.292 ( -4.143 3.202 4.355) 6.810 6.447 ( -6.534 -1.047 0.317) 6.625 6.501 ( 0.525 5.981 2.610) 6.547 6.650 ( 1.167 0.453 1.594) 2.027 6.782 ( 3.178 -1.895 3.852) 5.341 6.903 ( 2.309 -0.799 -1.185) 2.716 7.057 ( -3.225 3.231 2.994) 5.459 7.159 ( 0.017 3.519 -3.511) 4.971 7.240 ( 2.048 1.430 -2.473) 3.515 7.389 ( 2.705 2.323 -5.321) 6.405 7.552 ( -4.689 0.650 0.705) 4.786 7.683 ( -3.482 -5.988 -2.344) 7.313 8.155 ( -0.398 -0.629 -0.847) 1.128 8.190 ( 0.756 -2.210 2.218) 3.221 9.108 ( 2.020 -0.440 -0.541) 2.138 9.121 ( 1.873 0.091 -0.787) 2.033 9.837 ( -0.548 0.219 -2.131) 2.211 9.977 ( -2.433 -0.682 3.655) 4.443 10.029 ( -2.031 -0.838 1.498) 2.659 10.173 ( 1.728 2.250 -2.754) 3.954 10.790 ( -1.412 -4.404 -0.937) 4.719 10.870 ( -0.662 -1.356 -0.150) 1.516 10.992 ( -0.906 -2.402 -1.603) 3.026 11.188 ( 1.350 -0.622 2.020) 2.508 ======================= Grid point 269 (135/156) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -7.091 15.292 1.784) 16.950 1.552 ( -11.519 8.610 11.181) 18.216 1.773 ( 0.075 4.546 -3.716) 5.872 1.949 ( 3.585 1.517 -0.493) 3.923 2.027 ( 0.595 2.966 -7.635) 8.212 2.188 ( 1.048 3.615 3.252) 4.974 2.448 ( 0.373 23.865 -0.443) 23.872 2.526 ( 1.064 16.634 1.797) 16.765 2.783 ( -1.853 -9.231 2.823) 9.830 2.826 ( 2.050 -12.209 -0.399) 12.387 3.326 ( -0.541 8.884 0.502) 8.915 3.426 ( 2.540 9.295 -3.061) 10.111 3.557 ( -1.056 11.129 -0.139) 11.180 3.789 ( 1.412 8.017 -2.398) 8.486 3.890 ( -0.498 8.572 1.046) 8.650 4.047 ( 0.469 4.047 -6.395) 7.583 4.874 ( -1.003 0.008 -1.137) 1.516 4.926 ( -2.822 -4.128 0.532) 5.029 5.147 ( 2.933 0.984 -5.400) 6.223 5.270 ( 2.942 -1.682 0.923) 3.512 5.599 ( 0.966 1.009 6.147) 6.303 5.721 ( 3.034 -2.560 2.854) 4.889 5.865 ( -1.817 1.193 -0.812) 2.320 6.092 ( -2.029 -0.432 0.806) 2.226 6.278 ( -4.013 0.981 8.550) 9.496 6.337 ( -5.323 0.336 1.351) 5.502 6.579 ( 3.935 6.307 3.266) 8.120 6.647 ( -2.277 1.706 0.730) 2.937 6.855 ( -4.116 5.512 -0.354) 6.888 6.896 ( 4.587 -1.307 1.105) 4.896 7.083 ( 2.631 -2.591 -0.563) 3.736 7.159 ( 2.629 4.004 0.225) 4.795 7.245 ( 0.819 1.785 -3.343) 3.877 7.346 ( -1.890 -2.610 -3.860) 5.028 7.497 ( -2.449 2.398 -0.143) 3.431 7.621 ( -1.117 -0.009 -1.165) 1.614 8.121 ( -2.300 -2.150 0.265) 3.160 8.205 ( -0.053 -0.316 -0.625) 0.702 9.139 ( 1.307 -0.452 -0.384) 1.435 9.153 ( 2.495 1.582 -0.192) 2.960 9.829 ( 1.246 -2.637 -1.366) 3.221 9.951 ( -3.454 -2.076 3.411) 5.280 9.998 ( -2.348 -2.306 -0.536) 3.334 10.174 ( 1.002 0.462 -2.452) 2.689 10.769 ( -0.474 -3.884 0.567) 3.954 10.852 ( -0.813 -1.849 -0.292) 2.041 10.976 ( -0.079 -2.077 -0.554) 2.151 11.210 ( 0.337 -1.821 -0.743) 1.995 ======================= Grid point 270 (136/156) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -6.797 15.034 6.100) 17.590 1.517 ( -5.558 12.828 10.764) 17.644 1.716 ( -0.066 5.708 -7.644) 9.541 1.934 ( -1.210 3.829 -10.547) 11.285 2.029 ( 2.490 1.336 3.987) 4.887 2.210 ( 0.006 1.912 -0.455) 1.965 2.471 ( 2.223 25.576 1.125) 25.697 2.561 ( 0.204 18.168 1.998) 18.279 2.790 ( -1.192 -10.644 4.254) 11.524 2.866 ( 2.608 -14.451 -0.848) 14.709 3.333 ( -0.186 10.007 2.271) 10.263 3.441 ( 2.174 9.960 -3.212) 10.689 3.550 ( 0.134 10.910 1.152) 10.972 3.764 ( -0.909 9.565 -4.260) 10.510 3.873 ( -1.444 6.921 -0.116) 7.071 3.991 ( 0.292 3.184 -6.841) 7.551 4.871 ( 0.901 -1.599 -0.514) 1.906 4.907 ( 0.630 -3.221 0.999) 3.431 5.132 ( 0.676 1.452 -3.682) 4.016 5.297 ( -0.659 -1.950 -1.238) 2.402 5.629 ( -1.350 2.391 1.226) 3.007 5.741 ( -1.254 -0.921 -1.267) 2.006 5.869 ( 2.206 1.331 0.421) 2.611 6.086 ( -2.618 -2.386 3.161) 4.747 6.300 ( -2.247 0.209 10.344) 10.587 6.358 ( 2.951 -0.578 9.155) 9.637 6.588 ( -3.392 2.184 0.833) 4.119 6.675 ( 2.119 6.504 2.210) 7.189 6.811 ( -1.018 6.066 2.100) 6.499 6.925 ( 0.529 -0.788 -2.593) 2.761 7.062 ( -3.358 -3.988 -5.500) 7.578 7.179 ( -1.421 -0.461 -7.368) 7.518 7.253 ( 3.926 2.180 1.782) 4.832 7.299 ( -1.469 -0.548 0.710) 1.721 7.487 ( 2.967 5.044 -0.413) 5.866 7.610 ( -0.230 2.941 0.125) 2.952 8.099 ( -1.003 -1.942 1.479) 2.639 8.189 ( -0.366 0.357 -1.428) 1.517 9.151 ( 0.728 0.635 -0.175) 0.981 9.185 ( 0.858 1.320 -0.218) 1.589 9.843 ( 0.963 -3.583 -0.565) 3.752 9.929 ( -2.743 -4.227 -0.061) 5.039 9.957 ( -0.290 -3.462 1.973) 3.996 10.152 ( -0.659 -1.565 -3.551) 3.936 10.787 ( 0.791 -2.833 2.326) 3.750 10.843 ( -0.034 -2.488 -0.070) 2.490 10.978 ( 0.650 -1.807 0.276) 1.940 11.179 ( -1.613 -2.333 -3.724) 4.681 ======================= Grid point 271 (137/156) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -3.769 11.491 7.933) 14.463 1.753 ( 0.489 5.863 1.254) 6.015 1.867 ( 1.408 15.009 -2.158) 15.229 1.936 ( 0.661 7.394 -5.026) 8.965 2.097 ( 0.217 -0.090 3.034) 3.043 2.172 ( -1.332 -0.886 -2.776) 3.204 2.504 ( 0.218 -16.019 3.700) 16.442 2.566 ( -0.241 -16.663 -1.786) 16.760 2.963 ( -0.819 19.886 2.137) 20.018 3.007 ( 1.578 20.091 -1.734) 20.227 3.448 ( -0.251 -1.391 2.564) 2.927 3.495 ( 0.084 -2.898 -1.771) 3.398 3.803 ( 1.787 9.465 0.856) 9.670 3.877 ( 0.305 7.680 -5.558) 9.485 3.929 ( -1.902 2.699 -0.966) 3.440 3.991 ( 3.642 1.026 -6.360) 7.401 4.860 ( 0.529 -0.076 0.876) 1.026 4.899 ( 2.016 -1.598 -2.340) 3.478 5.187 ( 0.849 2.468 1.643) 3.084 5.228 ( -3.003 0.553 -1.614) 3.454 5.675 ( -0.294 2.412 1.806) 3.028 5.708 ( -0.645 1.069 -1.163) 1.706 5.969 ( 3.877 0.310 0.857) 3.983 5.979 ( -4.246 -0.585 -0.051) 4.286 6.417 ( 1.597 0.712 11.295) 11.430 6.492 ( 4.311 -3.728 10.871) 12.274 6.577 ( -4.730 3.905 1.095) 6.230 6.738 ( -3.780 -3.456 -3.996) 6.496 6.877 ( -6.396 3.444 0.501) 7.282 6.896 ( 1.486 3.035 -2.618) 4.275 6.953 ( -0.861 0.703 2.531) 2.765 7.037 ( -0.333 -2.261 -5.661) 6.105 7.312 ( 0.101 3.061 -0.490) 3.102 7.350 ( 5.333 0.620 -3.660) 6.498 7.625 ( 0.326 1.997 -0.026) 2.024 7.644 ( -0.001 1.513 -1.463) 2.104 8.117 ( 1.606 0.317 2.525) 3.009 8.163 ( -0.205 -0.964 -1.677) 1.945 9.181 ( 0.845 0.472 0.074) 0.971 9.186 ( -1.144 0.138 -0.416) 1.225 9.803 ( -2.255 -1.738 1.800) 3.368 9.844 ( 1.467 1.426 -1.919) 2.805 9.910 ( 0.100 -4.902 4.616) 6.734 10.022 ( 0.604 -4.956 -5.378) 7.338 10.800 ( -0.080 0.855 2.676) 2.810 10.846 ( 0.597 2.126 -1.561) 2.704 10.949 ( 1.050 -4.385 3.022) 5.427 11.033 ( -1.311 -4.665 -4.470) 6.593 ======================= Grid point 272 (138/156) ======================= q-point: ( 0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -2.167 8.382 6.475) 10.811 1.786 ( 2.360 7.457 0.240) 7.825 1.861 ( -0.320 11.083 0.414) 11.096 1.939 ( 4.201 10.670 -5.028) 12.521 2.109 ( -2.048 0.588 -0.682) 2.237 2.145 ( 0.233 -1.159 2.697) 2.945 2.526 ( -1.245 -15.316 1.318) 15.423 2.536 ( -0.788 -15.733 -0.918) 15.779 2.948 ( -1.901 19.991 0.638) 20.092 3.018 ( 1.083 18.624 -1.795) 18.741 3.450 ( -1.950 -1.794 1.242) 2.926 3.471 ( -0.756 -2.506 -1.118) 2.846 3.804 ( 0.251 8.134 -2.115) 8.408 3.895 ( 4.007 8.747 -2.111) 9.850 3.924 ( 1.497 1.800 1.412) 2.735 4.021 ( 5.124 2.340 -5.058) 7.570 4.851 ( -1.010 0.169 -0.594) 1.184 4.902 ( 1.615 -2.102 -3.333) 4.259 5.172 ( -1.984 3.020 -0.078) 3.614 5.233 ( 0.929 -0.275 2.777) 2.941 5.701 ( 0.982 2.219 -0.776) 2.548 5.706 ( 1.072 1.100 2.441) 2.884 5.908 ( -2.919 2.453 0.140) 3.815 6.052 ( 3.594 -3.456 0.258) 4.993 6.464 ( -3.607 0.653 -5.620) 6.710 6.474 ( -4.764 0.563 2.373) 5.352 6.623 ( -0.347 1.461 5.519) 5.720 6.695 ( 2.079 -2.843 5.797) 6.783 6.766 ( -7.807 3.902 3.352) 9.349 6.876 ( -5.724 -1.953 6.482) 8.865 6.979 ( 4.313 3.009 -0.467) 5.280 7.066 ( 4.851 -2.098 -1.802) 5.584 7.308 ( 1.352 4.438 -3.341) 5.717 7.409 ( 5.502 0.023 -5.110) 7.509 7.579 ( -3.252 2.807 -0.555) 4.332 7.650 ( -0.095 -0.404 -0.366) 0.554 8.126 ( -0.910 -0.154 -2.422) 2.592 8.139 ( -1.194 -0.911 0.877) 1.739 9.163 ( -1.217 0.673 -0.032) 1.391 9.192 ( -0.255 -0.142 0.260) 0.392 9.763 ( -2.146 -0.684 1.284) 2.593 9.897 ( 1.933 -3.119 0.132) 3.672 9.929 ( 2.335 -0.756 0.536) 2.512 10.052 ( 5.175 -3.839 -1.880) 6.712 10.819 ( 0.038 1.760 1.772) 2.498 10.837 ( 0.209 1.521 -2.592) 3.013 10.960 ( -1.118 -3.566 -1.564) 4.051 11.022 ( 2.290 -5.484 1.909) 6.242 ======================= Grid point 273 (139/156) ======================= q-point: ( 0.20 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.313 5.853 4.481) 7.378 1.832 ( 1.290 10.711 2.060) 10.983 1.884 ( 0.944 3.480 2.336) 4.297 1.953 ( 2.866 7.483 -5.611) 9.783 2.060 ( -1.180 4.226 -2.173) 4.896 2.188 ( 0.490 -0.122 3.891) 3.924 2.493 ( -0.961 -12.886 -1.780) 13.044 2.524 ( -1.691 -14.378 1.595) 14.565 2.918 ( -1.658 20.356 -0.260) 20.425 3.012 ( 0.480 16.646 -1.753) 16.745 3.416 ( -1.841 -1.315 0.209) 2.272 3.452 ( -1.089 -2.762 0.130) 2.972 3.808 ( 2.456 9.440 -2.646) 10.107 3.923 ( 1.743 6.576 -2.498) 7.247 3.989 ( 2.314 2.376 2.488) 4.146 4.058 ( 3.439 3.125 -3.746) 5.969 4.846 ( 1.277 0.229 -0.059) 1.298 4.910 ( 3.440 -2.894 -3.641) 5.785 5.145 ( -2.055 3.664 0.914) 4.299 5.250 ( -1.009 -1.526 0.935) 2.054 5.707 ( -0.548 1.389 -1.374) 2.029 5.727 ( -0.344 -0.037 0.145) 0.375 5.886 ( -0.147 3.565 0.694) 3.635 6.074 ( 0.024 -4.280 -1.122) 4.425 6.382 ( 0.639 1.278 -3.437) 3.723 6.420 ( -0.799 0.243 -0.459) 0.953 6.656 ( -7.597 4.002 4.842) 9.858 6.666 ( -2.042 2.191 5.176) 5.980 6.762 ( -2.728 0.475 7.743) 8.224 6.878 ( -1.362 -1.508 6.276) 6.597 7.058 ( 3.043 0.031 1.534) 3.408 7.117 ( 2.119 -2.380 -1.101) 3.371 7.295 ( 1.846 5.453 -5.434) 7.917 7.414 ( 1.028 0.611 -6.205) 6.320 7.552 ( 1.733 1.534 -1.140) 2.580 7.620 ( -1.960 -1.478 -1.172) 2.720 8.106 ( -0.076 -0.918 -0.783) 1.209 8.131 ( 0.176 -1.858 1.888) 2.654 9.135 ( -2.114 0.362 -0.103) 2.147 9.165 ( -2.834 -0.206 -0.042) 2.841 9.763 ( 0.586 0.587 1.665) 1.860 9.930 ( 2.956 -5.383 0.551) 6.166 10.004 ( 4.363 2.576 -0.391) 5.081 10.117 ( 3.352 -2.611 -1.071) 4.382 10.797 ( -1.075 2.355 -2.914) 3.898 10.848 ( 1.432 2.533 1.220) 3.155 10.937 ( 0.188 -3.220 -1.765) 3.677 11.088 ( 2.407 -6.547 2.538) 7.423 ======================= Grid point 274 (140/156) ======================= q-point: ( 0.30 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 2.456 3.116 4.602) 6.076 1.841 ( -3.977 2.650 3.053) 5.671 1.894 ( 0.462 9.198 -0.479) 9.222 1.985 ( 5.097 4.409 -2.815) 7.303 2.038 ( 0.148 6.660 -0.785) 6.708 2.213 ( -0.033 -0.152 -0.299) 0.337 2.470 ( -1.356 -11.788 1.336) 11.941 2.511 ( -0.689 -11.654 0.326) 11.679 2.888 ( -1.334 20.568 -0.133) 20.611 3.011 ( 1.096 15.012 -1.686) 15.146 3.401 ( -0.767 -1.609 1.643) 2.424 3.437 ( -0.538 -2.011 -0.100) 2.084 3.825 ( 2.596 9.450 -4.022) 10.593 3.915 ( 0.058 7.012 -2.046) 7.304 4.014 ( 0.264 1.817 -1.809) 2.577 4.082 ( 1.549 2.547 -0.492) 3.022 4.894 ( 3.365 0.255 0.712) 3.449 4.955 ( 4.128 -2.572 -1.952) 5.241 5.114 ( -1.899 3.608 0.422) 4.099 5.225 ( -1.200 -1.445 -1.564) 2.444 5.654 ( -1.921 0.675 -3.154) 3.754 5.690 ( -1.607 -0.892 -3.290) 3.769 5.922 ( 2.090 3.358 2.559) 4.711 6.072 ( -0.054 -2.751 0.151) 2.755 6.389 ( -1.238 1.141 0.167) 1.692 6.414 ( -0.550 0.470 2.223) 2.338 6.594 ( -3.656 3.993 3.913) 6.680 6.649 ( -4.193 0.344 4.978) 6.518 6.765 ( -2.591 2.673 3.161) 4.883 6.891 ( -2.413 -2.118 0.560) 3.259 7.063 ( -1.406 1.008 1.579) 2.342 7.161 ( 0.337 -3.529 5.026) 6.151 7.296 ( 4.297 5.804 -5.354) 8.990 7.385 ( 2.063 1.673 -5.106) 5.755 7.587 ( 3.491 -0.911 -2.568) 4.428 7.601 ( 1.551 -2.170 -0.572) 2.728 8.111 ( -0.145 -0.653 1.492) 1.635 8.154 ( -0.094 -2.654 0.995) 2.836 9.089 ( -2.693 -0.273 -0.215) 2.715 9.109 ( -3.185 -0.387 0.363) 3.229 9.807 ( 2.198 2.750 2.319) 4.216 10.003 ( 3.931 -4.602 1.218) 6.174 10.057 ( 2.559 2.536 -1.404) 3.867 10.146 ( 1.225 -1.289 -1.248) 2.172 10.762 ( -0.169 1.865 -1.542) 2.426 10.889 ( 1.857 3.820 0.763) 4.315 10.926 ( 0.265 -3.855 -1.315) 4.082 11.140 ( 1.667 -5.965 0.451) 6.210 ======================= Grid point 275 (141/156) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -4.660 3.860 4.007) 7.257 1.864 ( 2.375 0.315 4.119) 4.765 1.903 ( 1.509 7.226 -1.932) 7.630 2.037 ( -0.699 4.632 3.976) 6.144 2.046 ( 3.547 4.513 -4.452) 7.264 2.184 ( -0.537 1.750 -3.724) 4.149 2.461 ( -2.797 -9.761 4.123) 10.959 2.511 ( 1.244 -10.014 -1.375) 10.184 2.881 ( 0.098 19.508 1.385) 19.558 3.008 ( 0.406 13.631 -2.517) 13.867 3.413 ( -0.577 -2.416 2.757) 3.711 3.436 ( 0.821 -1.431 -0.530) 1.733 3.827 ( 2.624 8.664 -4.484) 10.102 3.891 ( -1.193 8.857 -1.359) 9.039 4.005 ( 2.507 1.148 -3.355) 4.343 4.082 ( -1.168 1.636 -0.836) 2.177 4.957 ( 2.554 0.499 1.023) 2.796 4.994 ( 0.515 -0.752 0.989) 1.345 5.101 ( 1.149 3.198 -1.451) 3.695 5.188 ( -0.108 -0.592 -3.743) 3.791 5.618 ( 0.542 0.221 -1.357) 1.478 5.651 ( 0.825 -0.973 -2.660) 2.950 5.948 ( -3.172 1.755 1.787) 4.041 6.027 ( -3.960 -1.262 -3.091) 5.180 6.366 ( -1.223 1.819 4.331) 4.854 6.431 ( -1.203 -1.823 5.251) 5.688 6.585 ( -1.400 3.952 1.501) 4.454 6.640 ( -0.939 0.151 2.797) 2.954 6.744 ( -2.253 1.015 2.185) 3.298 6.806 ( -3.568 -2.316 -3.699) 5.637 7.098 ( -0.058 2.328 7.054) 7.428 7.207 ( 0.873 -1.966 2.970) 3.667 7.330 ( 3.842 5.215 -3.713) 7.466 7.390 ( 2.783 2.144 -3.763) 5.148 7.621 ( 1.649 -1.559 -1.056) 2.503 7.650 ( 4.535 -2.172 -1.182) 5.165 8.107 ( -1.811 -1.526 0.648) 2.456 8.133 ( -1.973 -2.725 -0.792) 3.456 9.053 ( -1.321 -0.445 0.587) 1.512 9.072 ( -1.476 -0.866 0.656) 1.833 9.874 ( 2.282 4.099 3.214) 5.687 10.060 ( 0.578 0.942 -0.767) 1.345 10.077 ( 1.557 -1.558 0.162) 2.209 10.143 ( 0.647 -0.704 -2.041) 2.254 10.770 ( 1.563 1.332 0.597) 2.139 10.898 ( -0.615 2.202 -1.304) 2.632 10.949 ( 2.537 -2.395 1.091) 3.655 11.144 ( -0.563 -5.052 -2.094) 5.497 ======================= Grid point 276 (142/156) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -4.072 5.277 6.352) 9.207 1.898 ( 2.464 5.107 -5.110) 7.633 1.932 ( -0.590 -2.415 5.300) 5.854 2.037 ( -0.479 -1.400 -4.534) 4.769 2.055 ( -1.237 8.546 4.835) 9.897 2.155 ( 1.565 6.322 -3.897) 7.590 2.453 ( -2.154 -8.270 3.860) 9.377 2.522 ( 1.738 -9.049 -2.001) 9.429 2.912 ( 0.936 16.937 2.577) 17.158 2.978 ( -0.479 13.977 -3.365) 14.384 3.423 ( -0.694 -2.615 1.936) 3.327 3.450 ( 1.222 -2.148 -0.697) 2.568 3.843 ( -1.335 9.263 -1.950) 9.560 3.851 ( 2.927 9.312 -2.964) 10.201 4.030 ( -2.439 1.798 -1.594) 3.424 4.051 ( 5.372 0.386 -3.413) 6.376 4.994 ( 0.082 1.056 1.746) 2.042 4.997 ( -1.145 0.118 1.335) 1.763 5.119 ( 2.421 2.904 -1.921) 4.241 5.158 ( 1.744 0.688 -5.482) 5.794 5.629 ( -0.825 -0.599 1.121) 1.515 5.649 ( -1.146 -1.258 -0.653) 1.822 5.882 ( -2.998 0.982 2.020) 3.746 5.933 ( -0.618 -1.202 -2.822) 3.128 6.429 ( 1.607 0.571 5.232) 5.503 6.461 ( -1.586 -1.679 4.862) 5.383 6.552 ( -3.605 4.120 2.102) 5.865 6.638 ( -0.669 -0.774 -1.936) 2.189 6.725 ( -2.515 0.279 3.187) 4.070 6.756 ( 0.275 -1.885 -0.033) 1.905 7.158 ( -0.192 3.404 5.232) 6.245 7.241 ( 1.627 0.319 -0.537) 1.742 7.358 ( 1.267 4.495 -2.097) 5.119 7.396 ( 2.845 3.891 -4.498) 6.593 7.630 ( -0.859 -2.760 1.812) 3.412 7.693 ( 1.403 -4.159 -3.200) 5.432 8.075 ( -1.336 -1.320 0.976) 2.117 8.102 ( 0.152 -2.386 -1.323) 2.732 9.054 ( 0.479 -0.601 0.836) 1.135 9.065 ( 0.136 -1.068 -0.065) 1.079 9.938 ( 1.000 3.666 4.094) 5.586 10.029 ( -0.982 3.609 -3.887) 5.394 10.078 ( -3.494 -1.297 3.469) 5.091 10.154 ( 3.150 -1.862 -3.221) 4.874 10.818 ( 2.213 1.667 1.708) 3.255 10.859 ( -1.840 1.772 -2.042) 3.270 11.017 ( 2.897 -2.976 2.582) 4.890 11.084 ( -2.839 -4.466 -3.580) 6.389 ======================= Grid point 277 (143/156) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -4.116 6.219 7.933) 10.888 1.888 ( 1.228 5.810 -3.818) 7.060 1.948 ( -2.594 -2.839 4.084) 5.609 1.964 ( -2.659 1.250 -4.265) 5.179 2.089 ( 0.391 5.479 4.530) 7.120 2.153 ( 2.110 6.976 -4.331) 8.478 2.452 ( -1.797 -9.188 3.173) 9.885 2.538 ( 2.218 -9.610 -2.129) 10.090 2.923 ( -1.110 15.855 -1.287) 15.945 2.965 ( 1.268 16.103 0.400) 16.157 3.424 ( -0.694 -1.728 0.795) 2.025 3.463 ( 1.356 -2.543 -1.464) 3.232 3.794 ( -1.259 8.629 -1.574) 8.861 3.883 ( 1.750 6.549 -1.687) 6.986 3.991 ( 0.737 4.805 -1.645) 5.132 4.116 ( 4.993 0.746 -3.917) 6.390 4.971 ( -2.465 0.170 -0.068) 2.472 4.995 ( -1.877 0.434 1.414) 2.390 5.141 ( 2.828 2.521 -3.484) 5.147 5.161 ( 3.632 1.028 -3.635) 5.240 5.582 ( -5.411 -0.459 2.195) 5.857 5.588 ( -3.975 -1.173 2.579) 4.882 5.941 ( 4.933 0.736 4.362) 6.626 5.974 ( 3.988 -0.881 -0.589) 4.126 6.422 ( -3.950 2.908 -0.350) 4.918 6.477 ( -1.104 -0.980 2.476) 2.883 6.554 ( -1.558 0.922 7.723) 7.933 6.594 ( -0.992 -0.293 -1.315) 1.673 6.731 ( -0.892 0.588 3.785) 3.932 6.786 ( 2.344 -2.621 0.801) 3.606 7.178 ( -1.437 4.192 2.432) 5.055 7.255 ( 1.700 0.878 -2.677) 3.291 7.308 ( -2.011 5.251 -4.272) 7.062 7.424 ( 3.177 1.776 -4.420) 5.725 7.612 ( -3.331 -2.232 1.798) 4.394 7.640 ( -2.909 -4.798 -2.839) 6.288 8.102 ( 2.312 -0.998 1.868) 3.135 8.119 ( 2.305 -1.641 -0.434) 2.862 9.070 ( 1.133 -0.776 -0.670) 1.528 9.081 ( 1.854 -0.897 -0.138) 2.064 9.943 ( -3.173 2.330 -1.250) 4.130 9.998 ( -0.180 4.470 1.533) 4.729 10.039 ( -4.165 -1.620 3.169) 5.478 10.176 ( 2.265 -1.799 -2.914) 4.106 10.799 ( -2.394 0.929 -1.804) 3.138 10.872 ( 1.764 2.002 1.091) 2.883 10.986 ( -3.896 -3.691 -2.439) 5.895 11.093 ( 2.197 -3.921 2.317) 5.057 ======================= Grid point 278 (144/156) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -5.033 6.874 8.839) 12.276 1.854 ( -3.381 6.946 -1.472) 7.864 1.891 ( -1.960 5.295 0.578) 5.676 1.934 ( 0.673 -0.964 -2.435) 2.703 2.134 ( 1.517 4.080 -3.462) 5.562 2.156 ( 1.436 3.800 2.625) 4.836 2.444 ( -2.021 -11.448 2.488) 11.888 2.555 ( 1.756 -11.950 -2.055) 12.251 2.898 ( 0.081 19.354 -1.091) 19.385 2.986 ( 0.347 16.602 0.551) 16.615 3.414 ( -0.708 -0.801 0.038) 1.069 3.472 ( 1.720 -2.297 -2.245) 3.644 3.777 ( 0.077 8.597 -0.439) 8.609 3.894 ( 1.263 3.429 -0.476) 3.685 4.015 ( 2.819 7.283 -1.903) 8.038 4.139 ( 2.257 1.473 -5.162) 5.823 4.913 ( -3.346 -0.550 -1.016) 3.540 4.948 ( -3.912 -0.917 -0.424) 4.040 5.164 ( 3.933 2.226 -4.618) 6.462 5.204 ( 3.266 0.377 -0.512) 3.327 5.554 ( -1.603 0.558 5.835) 6.077 5.587 ( -0.091 -1.656 5.716) 5.951 5.977 ( -1.973 2.080 -2.048) 3.523 6.055 ( 2.797 -1.421 1.991) 3.716 6.358 ( -4.586 3.417 2.394) 6.200 6.429 ( -5.036 -0.800 0.619) 5.136 6.593 ( 1.674 3.486 4.186) 5.699 6.649 ( 2.464 -0.446 4.265) 4.945 6.766 ( 2.239 0.267 3.264) 3.967 6.851 ( 3.665 -3.562 1.496) 5.325 7.148 ( -4.227 5.169 1.479) 6.839 7.230 ( 1.777 3.020 -7.683) 8.445 7.274 ( -0.295 2.209 1.387) 2.625 7.391 ( -0.485 -1.986 -7.899) 8.160 7.556 ( -2.761 -0.118 0.316) 2.781 7.590 ( -1.218 -3.435 0.053) 3.645 8.133 ( -0.028 -0.491 -0.479) 0.687 8.168 ( 2.493 -1.293 0.006) 2.809 9.093 ( 2.286 -0.372 -0.580) 2.387 9.119 ( 2.807 -0.732 -0.429) 2.933 9.865 ( -3.102 2.275 -2.420) 4.545 9.973 ( -5.091 -1.597 3.092) 6.167 10.013 ( -1.987 1.737 2.148) 3.403 10.173 ( 0.435 -2.342 -2.820) 3.692 10.751 ( -1.456 0.660 -0.576) 1.699 10.895 ( 0.100 2.821 0.114) 2.825 10.918 ( -2.034 -3.868 -0.598) 4.411 11.134 ( 0.569 -4.908 1.025) 5.046 ======================= Grid point 279 (145/156) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -6.450 8.651 5.954) 12.324 1.789 ( -3.823 9.565 1.830) 10.462 1.872 ( -1.588 6.941 1.379) 7.253 1.949 ( 3.295 -0.308 -2.560) 4.184 2.106 ( 0.639 5.072 -5.177) 7.276 2.210 ( 0.990 0.795 2.005) 2.373 2.438 ( -1.019 -13.365 2.683) 13.670 2.562 ( 1.067 -14.271 -1.491) 14.388 2.908 ( 1.203 21.148 0.459) 21.188 2.991 ( 0.232 17.783 0.074) 17.784 3.408 ( -0.066 -0.543 0.504) 0.743 3.485 ( 1.975 -2.658 -2.134) 3.939 3.775 ( -0.019 10.048 -0.491) 10.060 3.916 ( 1.762 3.661 -1.246) 4.249 4.029 ( 0.457 6.021 -2.081) 6.387 4.102 ( -0.138 1.982 -6.597) 6.889 4.858 ( -1.780 -1.533 0.004) 2.350 4.873 ( -2.837 -1.304 -1.195) 3.343 5.186 ( 2.441 2.691 -3.335) 4.931 5.257 ( 2.521 -0.514 0.035) 2.573 5.619 ( 1.391 1.024 6.803) 7.019 5.672 ( 2.679 -2.229 5.368) 6.400 5.913 ( -1.810 3.616 -2.144) 4.577 6.066 ( -1.134 -2.716 -0.355) 2.965 6.302 ( -5.334 1.799 4.836) 7.421 6.347 ( -5.551 0.277 3.648) 6.648 6.669 ( -1.058 2.719 3.612) 4.643 6.691 ( 1.717 2.843 3.617) 4.911 6.870 ( 5.800 -0.600 -0.891) 5.899 6.912 ( 1.116 -1.010 1.249) 1.956 7.081 ( -3.295 3.392 -0.311) 4.740 7.223 ( 2.779 1.008 -4.043) 5.009 7.279 ( 0.171 1.280 -7.091) 7.208 7.298 ( -2.192 -0.842 2.387) 3.348 7.536 ( 0.588 1.639 -0.241) 1.758 7.607 ( 2.717 -1.621 0.079) 3.165 8.102 ( -2.253 0.354 -0.579) 2.353 8.180 ( 0.195 -2.317 -2.049) 3.099 9.134 ( 2.365 0.278 -0.073) 2.382 9.168 ( 2.805 -0.242 -0.165) 2.820 9.804 ( -1.438 0.169 -1.733) 2.258 9.907 ( -4.676 -3.348 2.247) 6.174 9.979 ( -3.899 1.726 1.431) 4.497 10.142 ( -1.055 -3.669 -2.714) 4.684 10.744 ( -0.012 1.255 1.631) 2.058 10.875 ( -1.016 4.201 -1.132) 4.467 10.906 ( -0.349 -4.876 0.966) 4.983 11.132 ( -0.509 -6.047 -1.308) 6.208 ======================= Grid point 280 (146/156) ======================= q-point: (-0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -5.114 11.830 6.522) 14.444 1.752 ( -2.473 7.738 2.506) 8.501 1.863 ( 0.757 11.772 -1.659) 11.913 1.970 ( 0.796 0.945 -2.593) 2.872 2.079 ( 0.600 3.678 -1.749) 4.117 2.213 ( -0.730 -0.070 -1.446) 1.621 2.463 ( 0.366 -14.829 3.591) 15.262 2.570 ( 0.953 -16.084 -0.917) 16.138 2.939 ( 1.141 21.133 1.405) 21.210 2.999 ( 0.632 18.832 -0.269) 18.845 3.423 ( 0.443 -0.715 1.833) 2.017 3.497 ( 1.373 -3.178 -1.802) 3.903 3.774 ( 0.838 10.689 -0.431) 10.731 3.919 ( 0.579 5.260 -3.178) 6.172 3.989 ( -2.393 4.517 -2.278) 5.596 4.027 ( -0.297 1.176 -7.439) 7.537 4.841 ( -0.139 -0.936 0.730) 1.195 4.868 ( 2.221 -1.483 -0.413) 2.703 5.184 ( 0.194 3.449 -1.594) 3.804 5.275 ( -0.380 -0.988 -0.896) 1.387 5.675 ( -0.780 2.177 2.596) 3.477 5.724 ( -0.131 -0.829 0.749) 1.125 5.907 ( 1.996 2.796 0.191) 3.441 6.042 ( -2.388 -2.647 0.813) 3.656 6.301 ( -0.395 0.261 8.415) 8.428 6.344 ( -0.304 -0.915 8.949) 9.000 6.641 ( -4.335 3.507 3.005) 6.334 6.758 ( 0.601 1.044 3.630) 3.825 6.896 ( 1.268 1.539 -3.618) 4.131 6.931 ( 0.659 1.828 -0.276) 1.962 7.009 ( -4.075 0.140 -3.277) 5.231 7.142 ( -2.774 -2.992 -7.896) 8.888 7.291 ( 4.192 1.561 -2.109) 4.946 7.314 ( -0.834 1.287 2.754) 3.152 7.581 ( 4.158 4.322 -0.512) 6.019 7.648 ( 1.341 0.859 -0.453) 1.656 8.078 ( -0.370 0.037 1.700) 1.740 8.165 ( 0.679 -2.701 -1.542) 3.183 9.165 ( 1.234 0.887 -0.142) 1.526 9.198 ( 0.600 -0.039 -0.288) 0.666 9.788 ( 0.947 -1.664 -0.845) 2.093 9.874 ( -1.353 -4.600 2.785) 5.545 9.908 ( -4.883 1.910 0.506) 5.268 10.086 ( -1.973 -4.884 -3.670) 6.420 10.771 ( 0.344 1.169 3.016) 3.253 10.853 ( -0.037 3.539 -1.377) 3.797 10.915 ( 0.170 -4.364 1.673) 4.677 11.094 ( -1.225 -6.135 -3.465) 7.152 ======================= Grid point 281 (147/156) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -1.508 -2.016 1.955) 3.187 1.795 ( -1.508 2.016 1.955) 3.187 2.065 ( 1.247 -3.688 3.932) 5.533 2.065 ( 1.247 3.688 3.932) 5.533 2.166 ( -0.491 -6.403 -3.932) 7.530 2.166 ( -0.491 6.403 -3.932) 7.530 2.281 ( -0.251 -5.372 -0.022) 5.378 2.281 ( -0.251 5.372 -0.022) 5.378 3.259 ( 0.570 -4.994 0.630) 5.066 3.259 ( 0.570 4.994 0.630) 5.066 3.369 ( -0.321 -4.569 -0.360) 4.594 3.369 ( -0.321 4.569 -0.360) 4.594 3.928 ( -0.313 -3.144 -0.956) 3.301 3.928 ( -0.313 3.144 -0.956) 3.301 3.977 ( 2.329 -2.648 -5.441) 6.484 3.977 ( 2.329 2.648 -5.441) 6.484 4.872 ( 1.279 -1.150 -0.423) 1.771 4.872 ( 1.279 1.150 -0.423) 1.771 5.224 ( -1.215 -1.095 0.310) 1.665 5.224 ( -1.215 1.095 0.310) 1.665 5.710 ( -0.477 -0.980 0.909) 1.419 5.710 ( -0.477 0.980 0.909) 1.419 5.973 ( -0.015 -0.184 -0.286) 0.341 5.973 ( -0.015 0.184 -0.286) 0.341 6.438 ( 2.856 -1.793 10.591) 11.115 6.438 ( 2.856 1.793 10.591) 11.115 6.659 ( -4.532 -4.394 -0.735) 6.356 6.659 ( -4.532 4.394 -0.735) 6.356 6.915 ( -4.021 -0.771 0.451) 4.119 6.915 ( -4.021 0.771 0.451) 4.119 6.991 ( 1.110 -2.553 -3.503) 4.475 6.991 ( 1.110 2.553 -3.503) 4.475 7.353 ( 3.077 -0.857 -1.578) 3.563 7.353 ( 3.077 0.857 -1.578) 3.563 7.650 ( -0.527 -0.635 -1.291) 1.532 7.650 ( -0.527 0.635 -1.291) 1.532 8.136 ( 1.169 -1.516 0.541) 1.989 8.136 ( 1.169 1.516 0.541) 1.989 9.186 ( -0.194 -0.133 -0.339) 0.413 9.186 ( -0.194 0.133 -0.339) 0.413 9.816 ( -1.122 -2.830 3.606) 4.719 9.816 ( -1.122 2.830 3.606) 4.719 9.924 ( 1.136 -4.758 -3.740) 6.157 9.924 ( 1.136 4.758 -3.740) 6.157 10.848 ( -0.056 -3.555 2.739) 4.488 10.848 ( -0.056 3.555 2.739) 4.488 10.935 ( 0.133 -4.667 -2.897) 5.495 10.935 ( 0.133 4.667 -2.897) 5.495 ======================= Grid point 283 (148/156) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -0.869 -3.648 2.529) 4.523 1.795 ( -0.869 3.648 2.529) 4.523 2.089 ( -1.260 -5.247 -0.820) 5.458 2.089 ( -1.260 5.247 -0.820) 5.458 2.149 ( 1.709 -6.166 0.015) 6.399 2.149 ( 1.709 6.166 0.015) 6.399 2.283 ( 0.324 -2.621 0.212) 2.649 2.283 ( 0.324 2.621 0.212) 2.649 3.254 ( -1.018 -5.369 -0.848) 5.530 3.254 ( -1.018 5.369 -0.848) 5.530 3.357 ( -1.086 -3.542 0.464) 3.734 3.357 ( -1.086 3.542 0.464) 3.734 3.912 ( 0.796 -2.932 -0.981) 3.192 3.912 ( 0.796 2.932 -0.981) 3.192 4.016 ( 4.943 -3.113 -3.234) 6.677 4.016 ( 4.943 3.113 -3.234) 6.677 4.868 ( 0.009 -1.427 -1.942) 2.409 4.868 ( 0.009 1.427 -1.942) 2.409 5.218 ( -0.815 -1.572 1.607) 2.391 5.218 ( -0.815 1.572 1.607) 2.391 5.721 ( 0.487 -0.148 0.928) 1.059 5.721 ( 0.487 0.148 0.928) 1.059 5.976 ( 0.328 -4.210 -0.113) 4.224 5.976 ( 0.328 4.210 -0.113) 4.224 6.475 ( -3.253 -0.518 -3.596) 4.877 6.475 ( -3.253 0.518 -3.596) 4.877 6.652 ( 1.205 -1.725 7.923) 8.198 6.652 ( 1.205 1.725 7.923) 8.198 6.830 ( -7.223 -2.851 5.679) 9.621 6.830 ( -7.223 2.851 5.679) 9.621 7.025 ( 4.215 -2.119 -2.049) 5.143 7.025 ( 4.215 2.119 -2.049) 5.143 7.386 ( 3.575 -2.844 -4.567) 6.460 7.386 ( 3.575 2.844 -4.567) 6.460 7.624 ( -2.033 -1.983 0.464) 2.878 7.624 ( -2.033 1.983 0.464) 2.878 8.126 ( -1.287 -0.325 -1.390) 1.922 8.126 ( -1.287 0.325 -1.390) 1.922 9.179 ( -0.773 -0.953 0.148) 1.236 9.179 ( -0.773 0.953 0.148) 1.236 9.802 ( -1.459 -4.338 1.479) 4.810 9.802 ( -1.459 4.338 1.479) 4.810 9.977 ( 5.933 -3.685 -1.492) 7.142 9.977 ( 5.933 3.685 -1.492) 7.142 10.875 ( 0.839 -2.606 0.732) 2.834 10.875 ( 0.839 2.606 0.732) 2.834 10.915 ( 0.042 -4.049 -0.890) 4.146 10.915 ( 0.042 4.049 -0.890) 4.146 ======================= Grid point 285 (149/156) ======================= q-point: ( 0.20 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -0.628 -4.336 2.952) 5.283 1.808 ( -0.628 4.336 2.952) 5.283 2.052 ( -0.371 -2.350 -2.582) 3.511 2.052 ( -0.371 2.350 -2.582) 3.511 2.185 ( 0.881 -8.322 1.676) 8.535 2.185 ( 0.881 8.322 1.676) 8.535 2.292 ( 0.720 -2.521 -0.094) 2.624 2.292 ( 0.720 2.521 -0.094) 2.624 3.219 ( -1.421 -4.938 -1.547) 5.366 3.219 ( -1.421 4.938 -1.547) 5.366 3.345 ( -1.099 -2.907 1.318) 3.376 3.345 ( -1.099 2.907 1.318) 3.376 3.934 ( 2.802 -3.584 -2.329) 5.111 3.934 ( 2.802 3.584 -2.329) 5.111 4.062 ( 2.268 -2.791 -1.168) 3.782 4.062 ( 2.268 2.791 -1.168) 3.782 4.865 ( 2.271 -1.710 -1.999) 3.475 4.865 ( 2.271 1.710 -1.999) 3.475 5.210 ( -1.806 -2.812 1.204) 3.553 5.210 ( -1.806 2.812 1.204) 3.553 5.723 ( -0.984 -0.505 -0.940) 1.452 5.723 ( -0.984 0.505 -0.940) 1.452 5.977 ( 0.351 -5.425 -0.141) 5.438 5.977 ( 0.351 5.425 -0.141) 5.438 6.410 ( 0.317 -1.236 -2.422) 2.738 6.410 ( 0.317 1.236 -2.422) 2.738 6.690 ( -5.018 -0.532 5.359) 7.361 6.690 ( -5.018 0.532 5.359) 7.361 6.815 ( -1.944 -4.245 8.473) 9.674 6.815 ( -1.944 4.245 8.473) 9.674 7.075 ( 2.413 -1.730 -0.764) 3.065 7.075 ( 2.413 1.730 -0.764) 3.065 7.389 ( 2.613 -3.531 -6.237) 7.629 7.389 ( 2.613 3.531 -6.237) 7.629 7.583 ( -2.019 -1.865 -0.594) 2.812 7.583 ( -2.019 1.865 -0.594) 2.812 8.105 ( -0.002 -0.731 0.307) 0.793 8.105 ( -0.002 0.731 0.307) 0.793 9.150 ( -2.681 -1.067 -0.062) 2.886 9.150 ( -2.681 1.067 -0.062) 2.886 9.823 ( 2.259 -5.085 1.546) 5.775 9.823 ( 2.259 5.085 1.546) 5.775 10.060 ( 4.546 -3.111 -1.266) 5.652 10.060 ( 4.546 3.111 -1.266) 5.652 10.863 ( -0.194 -4.007 -3.064) 5.048 10.863 ( -0.194 4.007 -3.064) 5.048 10.948 ( 2.020 -7.147 2.588) 7.865 10.948 ( 2.020 7.147 2.588) 7.865 ======================= Grid point 287 (150/156) ======================= q-point: ( 0.30 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -0.729 -2.081 3.266) 3.940 1.825 ( -0.729 2.081 3.266) 3.940 2.032 ( 0.542 -1.668 -2.684) 3.206 2.032 ( 0.542 1.668 -2.684) 3.206 2.203 ( -0.379 -6.662 1.562) 6.853 2.203 ( -0.379 6.662 1.562) 6.853 2.310 ( 1.390 -0.886 -0.010) 1.648 2.310 ( 1.390 0.886 -0.010) 1.648 3.183 ( -1.062 -5.664 -1.202) 5.887 3.183 ( -1.062 5.664 -1.202) 5.887 3.345 ( -0.390 -3.365 1.669) 3.776 3.345 ( -0.390 3.365 1.669) 3.776 3.946 ( 2.373 -3.202 -5.072) 6.451 3.946 ( 2.373 3.202 -5.072) 6.451 4.075 ( -0.248 -3.165 0.528) 3.218 4.075 ( -0.248 3.165 0.528) 3.218 4.912 ( 4.093 -1.692 -0.709) 4.486 4.912 ( 4.093 1.692 -0.709) 4.486 5.182 ( -1.663 -3.109 -0.139) 3.528 5.182 ( -1.663 3.109 -0.139) 3.528 5.670 ( -1.819 -1.048 -3.269) 3.885 5.670 ( -1.819 1.048 -3.269) 3.885 6.000 ( 1.227 -4.369 1.118) 4.674 6.000 ( 1.227 4.369 1.118) 4.674 6.411 ( -1.130 -0.796 1.351) 1.933 6.411 ( -1.130 0.796 1.351) 1.933 6.643 ( -4.352 -1.150 4.716) 6.519 6.643 ( -4.352 1.150 4.716) 6.519 6.831 ( -2.329 -3.762 0.697) 4.479 6.831 ( -2.329 3.762 0.697) 4.479 7.097 ( -0.749 -2.739 4.598) 5.405 7.097 ( -0.749 2.739 4.598) 5.405 7.383 ( 3.550 -2.519 -6.057) 7.459 7.383 ( 3.550 2.519 -6.057) 7.459 7.574 ( 2.227 -0.201 -1.223) 2.549 7.574 ( 2.227 0.201 -1.223) 2.549 8.116 ( -0.482 -1.162 1.430) 1.904 8.116 ( -0.482 1.162 1.430) 1.904 9.095 ( -3.083 -0.765 -0.012) 3.176 9.095 ( -3.083 0.765 -0.012) 3.176 9.896 ( 3.651 -5.857 2.207) 7.246 9.896 ( 3.651 5.857 2.207) 7.246 10.107 ( 2.336 -2.508 -1.596) 3.781 10.107 ( 2.336 2.508 -1.596) 3.781 10.835 ( 0.097 -4.962 -2.127) 5.400 10.835 ( 0.097 4.962 -2.127) 5.400 11.005 ( 2.014 -7.384 1.021) 7.721 11.005 ( 2.014 7.384 1.021) 7.721 ======================= Grid point 289 (151/156) ======================= q-point: ( 0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -1.245 -1.942 3.996) 4.614 1.841 ( -1.245 1.942 3.996) 4.614 2.014 ( 0.789 -3.834 -3.852) 5.492 2.014 ( 0.789 3.834 -3.852) 5.492 2.210 ( -0.754 -5.726 2.490) 6.289 2.210 ( -0.754 5.726 2.490) 6.289 2.335 ( 1.416 -3.316 -0.266) 3.615 2.335 ( 1.416 3.316 -0.266) 3.615 3.161 ( -0.463 -5.368 -0.687) 5.431 3.161 ( -0.463 5.368 -0.687) 5.431 3.356 ( -0.141 -2.958 1.310) 3.238 3.356 ( -0.141 2.958 1.310) 3.238 3.943 ( 3.205 -3.260 -5.077) 6.832 3.943 ( 3.205 3.260 -5.077) 6.832 4.061 ( -1.597 -3.753 -0.202) 4.084 4.061 ( -1.597 3.753 -0.202) 4.084 4.973 ( 2.297 -1.130 0.888) 2.710 4.973 ( 2.297 1.130 0.888) 2.710 5.159 ( 0.283 -2.493 -1.846) 3.115 5.159 ( 0.283 2.493 -1.846) 3.115 5.631 ( 0.431 -1.013 -1.943) 2.234 5.631 ( 0.431 1.013 -1.943) 2.234 5.990 ( -3.567 -2.402 -1.112) 4.442 5.990 ( -3.567 2.402 -1.112) 4.442 6.399 ( -1.813 -1.642 4.723) 5.319 6.399 ( -1.813 1.642 4.723) 5.319 6.634 ( -1.103 -1.176 2.119) 2.663 6.634 ( -1.103 1.176 2.119) 2.663 6.768 ( -3.027 -1.625 -1.324) 3.682 6.768 ( -3.027 1.625 -1.324) 3.682 7.154 ( 0.446 -3.265 7.269) 7.981 7.154 ( 0.446 3.265 7.269) 7.981 7.398 ( 3.894 -1.569 -5.123) 6.623 7.398 ( 3.894 1.569 -5.123) 6.623 7.616 ( 2.954 -1.045 -1.556) 3.499 7.616 ( 2.954 1.045 -1.556) 3.499 8.098 ( -2.276 -0.756 0.387) 2.429 8.098 ( -2.276 0.756 0.387) 2.429 9.056 ( -1.455 -0.668 0.485) 1.673 9.056 ( -1.455 0.668 0.485) 1.673 9.975 ( 2.410 -5.855 2.800) 6.923 9.975 ( 2.410 5.855 2.800) 6.923 10.115 ( 0.653 -2.170 -2.209) 3.165 10.115 ( 0.653 2.170 -2.209) 3.165 10.839 ( 1.669 -4.984 -0.257) 5.262 10.839 ( 1.669 4.984 -0.257) 5.262 11.024 ( -0.002 -6.723 -0.984) 6.795 11.024 ( -0.002 6.723 -0.984) 6.795 ======================= Grid point 291 (152/156) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -2.084 -4.464 5.133) 7.114 1.854 ( -2.084 4.464 5.133) 7.114 1.989 ( 0.805 -3.567 -4.565) 5.848 1.989 ( 0.805 3.567 -4.565) 5.848 2.222 ( -0.856 -6.037 2.777) 6.700 2.222 ( -0.856 6.037 2.777) 6.700 2.351 ( 1.012 -5.173 -0.985) 5.362 2.351 ( 1.012 5.173 -0.985) 5.362 3.154 ( 0.155 -3.088 -0.434) 3.122 3.154 ( 0.155 3.088 -0.434) 3.122 3.363 ( -0.024 -2.331 0.741) 2.446 3.363 ( -0.024 2.331 0.741) 2.446 3.953 ( 0.871 -0.432 -3.713) 3.838 3.953 ( 0.871 0.432 -3.713) 3.838 4.038 ( 1.710 -0.403 -1.596) 2.374 4.038 ( 1.710 0.403 -1.596) 2.374 5.001 ( -0.444 -0.184 1.570) 1.642 5.001 ( -0.444 0.184 1.570) 1.642 5.157 ( 2.103 -1.008 -3.252) 4.001 5.157 ( 2.103 1.008 -3.252) 4.001 5.631 ( -1.280 -0.645 0.437) 1.498 5.631 ( -1.280 0.645 0.437) 1.498 5.905 ( -1.716 -1.499 -0.886) 2.444 5.905 ( -1.716 1.499 -0.886) 2.444 6.438 ( -0.087 -0.686 5.070) 5.117 6.438 ( -0.087 0.686 5.070) 5.117 6.613 ( -2.156 -2.110 -0.498) 3.057 6.613 ( -2.156 2.110 -0.498) 3.057 6.734 ( -1.276 -0.664 2.085) 2.533 6.734 ( -1.276 0.664 2.085) 2.533 7.220 ( 0.726 -2.607 3.835) 4.694 7.220 ( 0.726 2.607 3.835) 4.694 7.420 ( 2.788 -1.484 -3.828) 4.963 7.420 ( 2.788 1.484 -3.828) 4.963 7.623 ( -0.456 -2.257 -1.676) 2.848 7.623 ( -0.456 2.257 -1.676) 2.848 8.070 ( -0.340 -0.800 0.125) 0.879 8.070 ( -0.340 0.800 0.125) 0.879 9.051 ( 0.293 -0.317 0.298) 0.524 9.051 ( 0.293 0.317 0.298) 0.524 10.018 ( -1.403 -4.104 3.737) 5.725 10.018 ( -1.403 4.104 3.737) 5.725 10.101 ( 1.232 -3.316 -3.296) 4.835 10.101 ( 1.232 3.316 -3.296) 4.835 10.874 ( 1.338 -2.418 0.196) 2.771 10.874 ( 1.338 2.418 0.196) 2.771 10.996 ( -1.122 -3.039 -1.119) 3.427 10.996 ( -1.122 3.039 -1.119) 3.427 ======================= Grid point 293 (153/156) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -2.537 -5.019 5.346) 7.760 1.862 ( -2.537 5.019 5.346) 7.760 1.964 ( 0.640 -1.534 -3.326) 3.718 1.964 ( 0.640 1.534 -3.326) 3.718 2.226 ( -1.061 -6.438 1.769) 6.761 2.226 ( -1.061 6.438 1.769) 6.761 2.352 ( 0.415 -6.860 -1.633) 7.064 2.352 ( 0.415 6.860 -1.633) 7.064 3.157 ( 0.616 -2.497 -0.329) 2.593 3.157 ( 0.616 2.497 -0.329) 2.593 3.372 ( 0.506 -2.206 0.153) 2.268 3.372 ( 0.506 2.206 0.153) 2.268 3.908 ( -1.384 -2.955 -2.171) 3.919 3.908 ( -1.384 2.955 -2.171) 3.919 4.088 ( 4.730 -3.826 -2.822) 6.707 4.088 ( 4.730 3.826 -2.822) 6.707 4.985 ( -2.542 -1.065 0.537) 2.808 4.985 ( -2.542 1.065 0.537) 2.808 5.171 ( 2.964 -0.412 -3.522) 4.621 5.171 ( 2.964 0.412 -3.522) 4.621 5.578 ( -4.692 -0.074 2.786) 5.458 5.578 ( -4.692 0.074 2.786) 5.458 5.956 ( 4.852 -0.932 1.737) 5.237 5.956 ( 4.852 0.932 1.737) 5.237 6.455 ( -1.602 -1.100 1.010) 2.190 6.455 ( -1.602 1.100 1.010) 2.190 6.581 ( -1.756 -1.399 3.401) 4.075 6.581 ( -1.756 1.399 3.401) 4.075 6.748 ( 0.250 -1.338 2.535) 2.877 6.748 ( 0.250 1.338 2.535) 2.877 7.245 ( -0.001 -2.252 0.507) 2.309 7.245 ( -0.001 2.252 0.507) 2.309 7.400 ( -0.141 -3.879 -5.893) 7.057 7.400 ( -0.141 3.879 -5.893) 7.057 7.590 ( -2.278 -0.640 0.342) 2.391 7.590 ( -2.278 0.640 0.342) 2.391 8.097 ( 2.644 -0.528 0.465) 2.736 8.097 ( 2.644 0.528 0.465) 2.736 9.066 ( 1.543 -0.417 -0.393) 1.646 9.066 ( 1.543 0.417 -0.393) 1.646 9.989 ( -4.444 -2.617 2.181) 5.599 9.989 ( -4.444 2.617 2.181) 5.599 10.105 ( 1.292 -5.179 -1.896) 5.665 10.105 ( 1.292 5.179 -1.896) 5.665 10.853 ( -2.290 -3.961 -1.564) 4.835 10.853 ( -2.290 3.961 -1.564) 4.835 10.999 ( 0.888 -4.939 1.134) 5.145 10.999 ( 0.888 4.939 1.134) 5.145 ======================= Grid point 295 (154/156) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -2.358 -3.918 3.089) 5.519 1.859 ( -2.358 3.918 3.089) 5.519 1.956 ( 0.133 -0.369 0.172) 0.428 1.956 ( 0.133 0.369 0.172) 0.428 2.221 ( -0.619 -5.936 0.829) 6.025 2.221 ( -0.619 5.936 0.829) 6.025 2.335 ( -0.388 -8.771 -2.018) 9.008 2.335 ( -0.388 8.771 -2.018) 9.008 3.170 ( 1.056 -4.073 -0.023) 4.208 3.170 ( 1.056 4.073 -0.023) 4.208 3.378 ( 0.523 -3.151 -0.906) 3.320 3.378 ( 0.523 3.151 -0.906) 3.320 3.891 ( 0.851 -3.231 -0.561) 3.388 3.891 ( 0.851 3.231 -0.561) 3.388 4.125 ( 2.818 -3.327 -3.970) 5.897 4.125 ( 2.818 3.327 -3.970) 5.897 4.922 ( -4.078 -1.388 -1.040) 4.432 4.922 ( -4.078 1.388 -1.040) 4.432 5.198 ( 3.310 -1.157 -2.411) 4.255 5.198 ( 3.310 1.157 -2.411) 4.255 5.566 ( -1.064 -0.753 6.086) 6.224 5.566 ( -1.064 0.753 6.086) 6.224 6.020 ( 0.611 -2.187 -0.313) 2.292 6.020 ( 0.611 2.187 -0.313) 2.292 6.409 ( -4.458 -1.677 1.320) 4.943 6.409 ( -4.458 1.677 1.320) 4.943 6.635 ( 2.651 -1.148 5.255) 5.997 6.635 ( 2.651 1.148 5.255) 5.997 6.791 ( 2.376 -2.335 2.549) 4.195 6.791 ( 2.376 2.335 2.549) 4.195 7.231 ( -1.327 -2.828 -1.289) 3.379 7.231 ( -1.327 2.828 -1.289) 3.379 7.334 ( -0.467 -3.517 -5.601) 6.630 7.334 ( -0.467 3.517 -5.601) 6.630 7.555 ( -1.544 -0.431 0.322) 1.635 7.555 ( -1.544 0.431 0.322) 1.635 8.141 ( 1.605 -1.203 -0.632) 2.103 8.141 ( 1.605 1.203 -0.632) 2.103 9.100 ( 2.751 -0.940 -0.428) 2.939 9.100 ( 2.751 0.940 -0.428) 2.939 9.918 ( -5.080 -3.152 0.798) 6.031 9.918 ( -5.080 3.152 0.798) 6.031 10.095 ( -1.043 -5.170 -0.942) 5.358 10.095 ( -1.043 5.170 -0.942) 5.358 10.809 ( -1.430 -4.888 0.111) 5.094 10.809 ( -1.430 4.888 0.111) 5.094 11.014 ( -0.151 -6.894 0.101) 6.896 11.014 ( -0.151 6.894 0.101) 6.896 ======================= Grid point 297 (155/156) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -2.251 -2.785 1.465) 3.869 1.838 ( -2.251 2.785 1.465) 3.869 1.970 ( 0.113 -0.444 2.534) 2.575 1.970 ( 0.113 0.444 2.534) 2.575 2.221 ( -0.017 -5.918 -0.222) 5.922 2.221 ( -0.017 5.918 -0.222) 5.922 2.307 ( -0.638 -9.805 -1.650) 9.963 2.307 ( -0.638 9.805 -1.650) 9.963 3.194 ( 1.465 -4.322 0.527) 4.594 3.194 ( 1.465 4.322 0.527) 4.594 3.376 ( 0.559 -4.288 -1.314) 4.520 3.376 ( 0.559 4.288 -1.314) 4.520 3.910 ( 1.504 -3.909 -0.852) 4.275 3.910 ( 1.504 3.909 -0.852) 4.275 4.110 ( -0.050 -1.817 -4.800) 5.133 4.110 ( -0.050 1.817 -4.800) 5.133 4.851 ( -2.322 -0.760 -0.666) 2.532 4.851 ( -2.322 0.760 -0.666) 2.532 5.234 ( 2.308 -1.989 -1.340) 3.328 5.234 ( 2.308 1.989 -1.340) 3.328 5.639 ( 1.934 -1.259 6.565) 6.959 5.639 ( 1.934 1.259 6.565) 6.959 5.994 ( -1.265 -4.400 -1.605) 4.852 5.994 ( -1.265 4.400 -1.605) 4.852 6.337 ( -5.799 -1.379 3.871) 7.107 6.337 ( -5.799 1.379 3.871) 7.107 6.709 ( -0.144 -1.169 4.531) 4.682 6.709 ( -0.144 1.169 4.531) 4.682 6.877 ( 4.576 -1.418 0.432) 4.810 6.877 ( 4.576 1.418 0.432) 4.810 7.169 ( -2.663 -4.723 -4.232) 6.878 7.169 ( -2.663 4.723 -4.232) 6.878 7.303 ( 0.489 -0.616 -1.177) 1.415 7.303 ( 0.489 0.616 -1.177) 1.415 7.568 ( 3.158 -1.997 0.287) 3.748 7.568 ( 3.158 1.997 0.287) 3.748 8.131 ( -1.128 -2.414 -1.767) 3.198 8.131 ( -1.128 2.414 -1.767) 3.198 9.150 ( 2.925 -1.223 -0.099) 3.172 9.150 ( 2.925 1.223 -0.099) 3.172 9.838 ( -4.183 -3.175 0.440) 5.270 9.838 ( -4.183 3.175 0.440) 5.270 10.052 ( -2.859 -5.019 -0.758) 5.826 10.052 ( -2.859 5.019 -0.758) 5.826 10.806 ( -0.228 -4.812 1.936) 5.192 10.806 ( -0.228 4.812 1.936) 5.192 10.996 ( -0.876 -7.501 -1.689) 7.738 10.996 ( -0.876 7.501 -1.689) 7.738 ======================= Grid point 299 (156/156) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -2.129 -1.295 1.454) 2.885 1.812 ( -2.129 1.295 1.454) 2.885 2.008 ( 1.043 -1.544 3.515) 3.978 2.008 ( 1.043 1.544 3.515) 3.978 2.205 ( -0.465 -8.849 -2.391) 9.178 2.205 ( -0.465 8.849 -2.391) 9.178 2.289 ( -0.334 -9.041 -0.535) 9.063 2.289 ( -0.334 9.041 -0.535) 9.063 3.230 ( 1.601 -4.227 1.051) 4.641 3.230 ( 1.601 4.227 1.051) 4.641 3.374 ( 0.358 -4.596 -0.948) 4.707 3.374 ( 0.358 4.596 -0.948) 4.707 3.922 ( 1.538 -4.391 -2.009) 5.067 3.922 ( 1.538 4.391 -2.009) 5.067 4.041 ( -2.140 -0.780 -5.130) 5.613 4.041 ( -2.140 0.780 -5.130) 5.613 4.843 ( 1.259 -0.968 0.311) 1.618 4.843 ( 1.259 0.968 0.311) 1.618 5.244 ( -0.132 -2.470 -0.805) 2.601 5.244 ( -0.132 2.470 -0.805) 2.601 5.706 ( 0.069 -1.141 2.669) 2.903 5.706 ( 0.069 1.141 2.669) 2.903 5.976 ( 0.090 -3.991 -0.292) 4.002 5.976 ( 0.090 3.991 -0.292) 4.002 6.319 ( -1.240 -1.457 8.257) 8.476 6.319 ( -1.240 1.457 8.257) 8.476 6.717 ( -3.190 -4.024 3.591) 6.266 6.717 ( -3.190 4.024 3.591) 6.266 6.925 ( 2.245 -1.486 -2.192) 3.472 6.925 ( 2.245 1.486 -2.192) 3.472 7.071 ( -3.210 -4.207 -5.460) 7.603 7.071 ( -3.210 4.207 -5.460) 7.603 7.318 ( 1.364 -0.955 0.454) 1.726 7.318 ( 1.364 0.955 0.454) 1.726 7.640 ( 3.529 -1.719 -0.839) 4.014 7.640 ( 3.529 1.719 -0.839) 4.014 8.106 ( 0.281 -2.779 0.174) 2.799 8.106 ( 0.281 2.779 0.174) 2.799 9.185 ( 1.075 -1.112 -0.365) 1.590 9.185 ( 1.075 1.112 -0.365) 1.590 9.798 ( -1.158 -2.648 1.655) 3.330 9.798 ( -1.158 2.648 1.655) 3.330 9.984 ( -3.412 -5.261 -1.894) 6.550 9.984 ( -3.412 5.261 -1.894) 6.550 10.826 ( -0.185 -4.208 2.734) 5.022 10.826 ( -0.185 4.208 2.734) 5.022 10.963 ( -0.360 -6.964 -2.798) 7.514 10.963 ( -0.360 6.964 -2.798) 7.514 =================== 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 3/24000 10.0 293.933 474.867 367.645 0.000 23.799 0.000 3/24000 20.0 60.731 125.050 74.623 0.000 2.050 0.000 3/24000 30.0 24.865 58.309 29.385 0.000 1.481 0.000 3/24000 40.0 13.365 34.699 15.391 0.000 1.228 0.000 3/24000 50.0 8.313 23.224 9.443 0.000 0.965 0.000 3/24000 60.0 5.708 16.783 6.452 0.000 0.747 0.000 3/24000 70.0 4.217 12.834 4.766 0.000 0.586 0.000 3/24000 80.0 3.292 10.249 3.728 0.000 0.471 0.000 3/24000 90.0 2.680 8.466 3.043 0.000 0.389 0.000 3/24000 100.0 2.252 7.181 2.565 0.000 0.329 0.000 3/24000 110.0 1.940 6.221 2.216 0.000 0.283 0.000 3/24000 120.0 1.704 5.483 1.950 0.000 0.248 0.000 3/24000 130.0 1.520 4.899 1.743 0.000 0.221 0.000 3/24000 140.0 1.372 4.428 1.576 0.000 0.199 0.000 3/24000 150.0 1.251 4.040 1.440 0.000 0.181 0.000 3/24000 160.0 1.151 3.716 1.326 0.000 0.166 0.000 3/24000 170.0 1.066 3.441 1.229 0.000 0.153 0.000 3/24000 180.0 0.993 3.205 1.146 0.000 0.142 0.000 3/24000 190.0 0.930 3.000 1.074 0.000 0.133 0.000 3/24000 200.0 0.875 2.821 1.011 0.000 0.125 0.000 3/24000 210.0 0.826 2.662 0.956 0.000 0.118 0.000 3/24000 220.0 0.783 2.521 0.906 0.000 0.111 0.000 3/24000 230.0 0.744 2.395 0.861 0.000 0.105 0.000 3/24000 240.0 0.709 2.281 0.821 0.000 0.100 0.000 3/24000 250.0 0.677 2.178 0.784 0.000 0.096 0.000 3/24000 260.0 0.648 2.084 0.751 0.000 0.091 0.000 3/24000 270.0 0.622 1.998 0.721 0.000 0.088 0.000 3/24000 280.0 0.597 1.919 0.693 0.000 0.084 0.000 3/24000 290.0 0.575 1.846 0.667 0.000 0.081 0.000 3/24000 300.0 0.554 1.779 0.643 0.000 0.078 0.000 3/24000 310.0 0.535 1.717 0.621 0.000 0.075 0.000 3/24000 320.0 0.517 1.659 0.600 0.000 0.073 0.000 3/24000 330.0 0.500 1.604 0.581 0.000 0.070 0.000 3/24000 340.0 0.485 1.554 0.562 0.000 0.068 0.000 3/24000 350.0 0.470 1.506 0.546 0.000 0.066 0.000 3/24000 360.0 0.456 1.462 0.530 0.000 0.064 0.000 3/24000 370.0 0.443 1.420 0.515 0.000 0.062 0.000 3/24000 380.0 0.431 1.380 0.500 0.000 0.060 0.000 3/24000 390.0 0.419 1.343 0.487 0.000 0.059 0.000 3/24000 400.0 0.408 1.308 0.474 0.000 0.057 0.000 3/24000 410.0 0.398 1.274 0.462 0.000 0.056 0.000 3/24000 420.0 0.388 1.243 0.451 0.000 0.054 0.000 3/24000 430.0 0.379 1.212 0.440 0.000 0.053 0.000 3/24000 440.0 0.370 1.184 0.430 0.000 0.052 0.000 3/24000 450.0 0.361 1.156 0.420 0.000 0.050 0.000 3/24000 460.0 0.353 1.130 0.410 0.000 0.049 0.000 3/24000 470.0 0.346 1.105 0.401 0.000 0.048 0.000 3/24000 480.0 0.338 1.081 0.393 0.000 0.047 0.000 3/24000 490.0 0.331 1.059 0.385 0.000 0.046 0.000 3/24000 500.0 0.324 1.037 0.377 0.000 0.045 0.000 3/24000 510.0 0.318 1.016 0.369 0.000 0.044 0.000 3/24000 520.0 0.311 0.996 0.362 0.000 0.043 0.000 3/24000 530.0 0.305 0.976 0.355 0.000 0.042 0.000 3/24000 540.0 0.300 0.958 0.348 0.000 0.042 0.000 3/24000 550.0 0.294 0.940 0.342 0.000 0.041 0.000 3/24000 560.0 0.289 0.923 0.335 0.000 0.040 0.000 3/24000 570.0 0.284 0.906 0.329 0.000 0.039 0.000 3/24000 580.0 0.279 0.890 0.324 0.000 0.039 0.000 3/24000 590.0 0.274 0.875 0.318 0.000 0.038 0.000 3/24000 600.0 0.269 0.860 0.313 0.000 0.037 0.000 3/24000 610.0 0.265 0.845 0.307 0.000 0.037 0.000 3/24000 620.0 0.260 0.831 0.302 0.000 0.036 0.000 3/24000 630.0 0.256 0.818 0.298 0.000 0.036 0.000 3/24000 640.0 0.252 0.805 0.293 0.000 0.035 0.000 3/24000 650.0 0.248 0.792 0.288 0.000 0.034 0.000 3/24000 660.0 0.244 0.780 0.284 0.000 0.034 0.000 3/24000 670.0 0.241 0.768 0.280 0.000 0.033 0.000 3/24000 680.0 0.237 0.757 0.275 0.000 0.033 0.000 3/24000 690.0 0.233 0.746 0.271 0.000 0.032 0.000 3/24000 700.0 0.230 0.735 0.267 0.000 0.032 0.000 3/24000 710.0 0.227 0.724 0.264 0.000 0.031 0.000 3/24000 720.0 0.224 0.714 0.260 0.000 0.031 0.000 3/24000 730.0 0.221 0.704 0.256 0.000 0.031 0.000 3/24000 740.0 0.218 0.695 0.253 0.000 0.030 0.000 3/24000 750.0 0.215 0.685 0.249 0.000 0.030 0.000 3/24000 760.0 0.212 0.676 0.246 0.000 0.029 0.000 3/24000 770.0 0.209 0.667 0.243 0.000 0.029 0.000 3/24000 780.0 0.206 0.658 0.240 0.000 0.029 0.000 3/24000 790.0 0.204 0.650 0.237 0.000 0.028 0.000 3/24000 800.0 0.201 0.642 0.234 0.000 0.028 0.000 3/24000 810.0 0.199 0.634 0.231 0.000 0.027 0.000 3/24000 820.0 0.196 0.626 0.228 0.000 0.027 0.000 3/24000 830.0 0.194 0.618 0.225 0.000 0.027 0.000 3/24000 840.0 0.191 0.611 0.222 0.000 0.026 0.000 3/24000 850.0 0.189 0.604 0.220 0.000 0.026 0.000 3/24000 860.0 0.187 0.597 0.217 0.000 0.026 0.000 3/24000 870.0 0.185 0.590 0.215 0.000 0.026 0.000 3/24000 880.0 0.183 0.583 0.212 0.000 0.025 0.000 3/24000 890.0 0.181 0.576 0.210 0.000 0.025 0.000 3/24000 900.0 0.179 0.570 0.208 0.000 0.025 0.000 3/24000 910.0 0.177 0.564 0.205 0.000 0.024 0.000 3/24000 920.0 0.175 0.557 0.203 0.000 0.024 0.000 3/24000 930.0 0.173 0.551 0.201 0.000 0.024 0.000 3/24000 940.0 0.171 0.545 0.199 0.000 0.024 0.000 3/24000 950.0 0.169 0.540 0.197 0.000 0.023 0.000 3/24000 960.0 0.167 0.534 0.194 0.000 0.023 0.000 3/24000 970.0 0.166 0.528 0.192 0.000 0.023 0.000 3/24000 980.0 0.164 0.523 0.190 0.000 0.023 0.000 3/24000 990.0 0.162 0.518 0.189 0.000 0.022 0.000 3/24000 1000.0 0.161 0.512 0.187 0.000 0.022 0.000 3/24000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:40:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|