----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:49:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.986576130073558 0.000000000000000 0.000000000000000 b 0.000000000000000 7.821656300000000 0.000000000000000 c -6.829566096312650 0.000000000000000 10.260582299620399 Atomic positions (fractional): *1 P 0.10494351254221 0.11241278901183 0.06035191441081 30.974 2 P 0.89505648745779 0.61241278901183 0.43964808558919 30.974 3 P 0.89505648745779 0.88758721098817 0.93964808558919 30.974 4 P 0.10494351254221 0.38758721098817 0.56035191441081 30.974 *5 Se 0.32632456173560 0.48334242705200 0.76032275748387 78.960 6 Se 0.67367543826440 0.98334242705200 0.73967724251613 78.960 7 Se 0.67367543826440 0.51665757294800 0.23967724251613 78.960 8 Se 0.32632456173560 0.01665757294800 0.26032275748387 78.960 *9 Se 0.28601041527369 0.29067847606776 0.47281674192605 78.960 10 Se 0.71398958472631 0.79067847606776 0.02718325807395 78.960 11 Se 0.71398958472631 0.70932152393224 0.52718325807394 78.960 12 Se 0.28601041527369 0.20932152393224 0.97281674192606 78.960 *13 Se 0.84924472552634 0.20094015599379 0.53548942400087 78.960 14 Se 0.15075527447366 0.70094015599379 0.96451057599913 78.960 15 Se 0.15075527447366 0.79905984400621 0.46451057599913 78.960 16 Se 0.84924472552634 0.29905984400621 0.03548942400087 78.960 *17 Ba 0.79075854607014 0.09161950993552 0.25042057229557 137.327 18 Ba 0.20924145392986 0.59161950993552 0.24957942770443 137.327 19 Ba 0.20924145392986 0.90838049006448 0.74957942770443 137.327 20 Ba 0.79075854607014 0.40838049006448 0.75042057229557 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.986576130073558 0.000000000000000 0.000000000000000 b 0.000000000000000 7.821656300000000 0.000000000000000 c -6.829566096312650 0.000000000000000 10.260582299620399 Atomic positions (fractional): *1 P 0.10494351254221 0.11241278901183 0.06035191441081 30.974 > 1 2 P 0.89505648745779 0.61241278901183 0.43964808558919 30.974 > 2 3 P 0.89505648745779 0.88758721098817 0.93964808558919 30.974 > 3 4 P 0.10494351254221 0.38758721098817 0.56035191441081 30.974 > 4 *5 Se 0.32632456173560 0.48334242705200 0.76032275748387 78.960 > 5 6 Se 0.67367543826440 0.98334242705200 0.73967724251613 78.960 > 6 7 Se 0.67367543826440 0.51665757294800 0.23967724251613 78.960 > 7 8 Se 0.32632456173560 0.01665757294800 0.26032275748387 78.960 > 8 *9 Se 0.28601041527369 0.29067847606776 0.47281674192605 78.960 > 9 10 Se 0.71398958472631 0.79067847606776 0.02718325807395 78.960 > 10 11 Se 0.71398958472631 0.70932152393224 0.52718325807394 78.960 > 11 12 Se 0.28601041527369 0.20932152393224 0.97281674192606 78.960 > 12 *13 Se 0.84924472552634 0.20094015599379 0.53548942400087 78.960 > 13 14 Se 0.15075527447366 0.70094015599379 0.96451057599913 78.960 > 14 15 Se 0.15075527447366 0.79905984400621 0.46451057599913 78.960 > 15 16 Se 0.84924472552634 0.29905984400621 0.03548942400087 78.960 > 16 *17 Ba 0.79075854607014 0.09161950993552 0.25042057229557 137.327 > 17 18 Ba 0.20924145392986 0.59161950993552 0.24957942770443 137.327 > 18 19 Ba 0.20924145392986 0.90838049006448 0.74957942770443 137.327 > 19 20 Ba 0.79075854607014 0.40838049006448 0.75042057229557 137.327 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.973152260147115 0.000000000000000 0.000000000000000 b 0.000000000000000 15.643312600000000 0.000000000000000 c -6.829566096312650 0.000000000000000 10.260582299620399 Atomic positions (fractional): *1 P 0.05247175627111 0.05620639450592 0.06035191441081 30.974 > 1 2 P 0.55247175627111 0.05620639450592 0.06035191441081 30.974 > 1 3 P 0.05247175627111 0.55620639450592 0.06035191441081 30.974 > 1 4 P 0.55247175627111 0.55620639450592 0.06035191441081 30.974 > 1 5 P 0.44752824372889 0.30620639450592 0.43964808558919 30.974 > 2 6 P 0.94752824372889 0.30620639450592 0.43964808558919 30.974 > 2 7 P 0.44752824372889 0.80620639450592 0.43964808558919 30.974 > 2 8 P 0.94752824372889 0.80620639450592 0.43964808558919 30.974 > 2 9 P 0.44752824372889 0.44379360549408 0.93964808558919 30.974 > 3 10 P 0.94752824372889 0.44379360549408 0.93964808558919 30.974 > 3 11 P 0.44752824372889 0.94379360549408 0.93964808558919 30.974 > 3 12 P 0.94752824372889 0.94379360549408 0.93964808558919 30.974 > 3 13 P 0.05247175627111 0.19379360549408 0.56035191441081 30.974 > 4 14 P 0.55247175627111 0.19379360549408 0.56035191441081 30.974 > 4 15 P 0.05247175627111 0.69379360549408 0.56035191441081 30.974 > 4 16 P 0.55247175627111 0.69379360549408 0.56035191441081 30.974 > 4 *17 Se 0.16316228086780 0.24167121352600 0.76032275748387 78.960 > 5 18 Se 0.66316228086780 0.24167121352600 0.76032275748387 78.960 > 5 19 Se 0.16316228086780 0.74167121352600 0.76032275748387 78.960 > 5 20 Se 0.66316228086780 0.74167121352600 0.76032275748387 78.960 > 5 21 Se 0.33683771913220 0.49167121352600 0.73967724251613 78.960 > 6 22 Se 0.83683771913220 0.49167121352600 0.73967724251613 78.960 > 6 23 Se 0.33683771913220 0.99167121352600 0.73967724251613 78.960 > 6 24 Se 0.83683771913220 0.99167121352600 0.73967724251613 78.960 > 6 25 Se 0.33683771913220 0.25832878647400 0.23967724251613 78.960 > 7 26 Se 0.83683771913220 0.25832878647400 0.23967724251613 78.960 > 7 27 Se 0.33683771913220 0.75832878647400 0.23967724251613 78.960 > 7 28 Se 0.83683771913220 0.75832878647400 0.23967724251613 78.960 > 7 29 Se 0.16316228086780 0.00832878647400 0.26032275748387 78.960 > 8 30 Se 0.66316228086780 0.00832878647400 0.26032275748387 78.960 > 8 31 Se 0.16316228086780 0.50832878647400 0.26032275748387 78.960 > 8 32 Se 0.66316228086780 0.50832878647400 0.26032275748387 78.960 > 8 *33 Se 0.14300520763684 0.14533923803388 0.47281674192605 78.960 > 9 34 Se 0.64300520763684 0.14533923803388 0.47281674192605 78.960 > 9 35 Se 0.14300520763684 0.64533923803388 0.47281674192605 78.960 > 9 36 Se 0.64300520763684 0.64533923803388 0.47281674192605 78.960 > 9 37 Se 0.35699479236316 0.39533923803388 0.02718325807395 78.960 > 10 38 Se 0.85699479236316 0.39533923803388 0.02718325807395 78.960 > 10 39 Se 0.35699479236316 0.89533923803388 0.02718325807395 78.960 > 10 40 Se 0.85699479236316 0.89533923803388 0.02718325807395 78.960 > 10 41 Se 0.35699479236316 0.35466076196612 0.52718325807394 78.960 > 11 42 Se 0.85699479236316 0.35466076196612 0.52718325807394 78.960 > 11 43 Se 0.35699479236316 0.85466076196612 0.52718325807394 78.960 > 11 44 Se 0.85699479236316 0.85466076196612 0.52718325807394 78.960 > 11 45 Se 0.14300520763684 0.10466076196612 0.97281674192606 78.960 > 12 46 Se 0.64300520763684 0.10466076196612 0.97281674192606 78.960 > 12 47 Se 0.14300520763684 0.60466076196612 0.97281674192606 78.960 > 12 48 Se 0.64300520763684 0.60466076196612 0.97281674192606 78.960 > 12 *49 Se 0.42462236276317 0.10047007799689 0.53548942400087 78.960 > 13 50 Se 0.92462236276317 0.10047007799689 0.53548942400087 78.960 > 13 51 Se 0.42462236276317 0.60047007799689 0.53548942400087 78.960 > 13 52 Se 0.92462236276317 0.60047007799689 0.53548942400087 78.960 > 13 53 Se 0.07537763723683 0.35047007799689 0.96451057599913 78.960 > 14 54 Se 0.57537763723683 0.35047007799689 0.96451057599913 78.960 > 14 55 Se 0.07537763723683 0.85047007799689 0.96451057599913 78.960 > 14 56 Se 0.57537763723683 0.85047007799689 0.96451057599913 78.960 > 14 57 Se 0.07537763723683 0.39952992200311 0.46451057599913 78.960 > 15 58 Se 0.57537763723683 0.39952992200311 0.46451057599913 78.960 > 15 59 Se 0.07537763723683 0.89952992200311 0.46451057599913 78.960 > 15 60 Se 0.57537763723683 0.89952992200311 0.46451057599913 78.960 > 15 61 Se 0.42462236276317 0.14952992200311 0.03548942400087 78.960 > 16 62 Se 0.92462236276317 0.14952992200311 0.03548942400087 78.960 > 16 63 Se 0.42462236276317 0.64952992200311 0.03548942400087 78.960 > 16 64 Se 0.92462236276317 0.64952992200311 0.03548942400087 78.960 > 16 *65 Ba 0.39537927303507 0.04580975496776 0.25042057229557 137.327 > 17 66 Ba 0.89537927303507 0.04580975496776 0.25042057229557 137.327 > 17 67 Ba 0.39537927303507 0.54580975496776 0.25042057229557 137.327 > 17 68 Ba 0.89537927303507 0.54580975496776 0.25042057229557 137.327 > 17 69 Ba 0.10462072696493 0.29580975496776 0.24957942770443 137.327 > 18 70 Ba 0.60462072696493 0.29580975496776 0.24957942770443 137.327 > 18 71 Ba 0.10462072696493 0.79580975496776 0.24957942770443 137.327 > 18 72 Ba 0.60462072696493 0.79580975496776 0.24957942770443 137.327 > 18 73 Ba 0.10462072696493 0.45419024503224 0.74957942770443 137.327 > 19 74 Ba 0.60462072696493 0.45419024503224 0.74957942770443 137.327 > 19 75 Ba 0.10462072696493 0.95419024503224 0.74957942770443 137.327 > 19 76 Ba 0.60462072696493 0.95419024503224 0.74957942770443 137.327 > 19 77 Ba 0.39537927303507 0.20419024503224 0.75042057229557 137.327 > 20 78 Ba 0.89537927303507 0.20419024503224 0.75042057229557 137.327 > 20 79 Ba 0.39537927303507 0.70419024503224 0.75042057229557 137.327 > 20 80 Ba 0.89537927303507 0.70419024503224 0.75042057229557 137.327 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9695020 0.0000000 -0.1972710 0.0000000 6.4622157 0.0000000 -0.1972715 0.0000000 7.0123857 -------------------------- Born effective charges -------------------------- 1 P 1.8362324 -0.3728248 -0.4259075 -0.2655107 1.4284012 -0.3729592 -0.0988500 -0.4497081 1.7860397 2 P 1.8362324 0.3728248 -0.4259075 0.2655107 1.4284012 0.3729592 -0.0988500 0.4497081 1.7860397 3 P 1.8362324 -0.3728248 -0.4259075 -0.2655107 1.4284012 -0.3729592 -0.0988500 -0.4497081 1.7860397 4 P 1.8362324 0.3728248 -0.4259075 0.2655107 1.4284012 0.3729592 -0.0988500 0.4497081 1.7860397 5 Se -1.3379945 0.0368098 0.1051439 0.1008133 -1.1542268 -0.0194460 -0.0493932 -0.3941459 -2.0990766 6 Se -1.3379945 -0.0368098 0.1051439 -0.1008133 -1.1542268 0.0194460 -0.0493932 0.3941459 -2.0990766 7 Se -1.3379945 0.0368098 0.1051439 0.1008133 -1.1542268 -0.0194460 -0.0493932 -0.3941459 -2.0990766 8 Se -1.3379945 -0.0368098 0.1051439 -0.1008133 -1.1542268 0.0194460 -0.0493932 0.3941459 -2.0990766 9 Se -1.6948263 0.0163241 0.2030746 0.1478872 -1.1856598 0.1327959 -0.0186676 0.2690809 -1.3701642 10 Se -1.6948263 -0.0163241 0.2030746 -0.1478872 -1.1856598 -0.1327959 -0.0186676 -0.2690809 -1.3701642 11 Se -1.6948263 0.0163241 0.2030746 0.1478872 -1.1856598 0.1327959 -0.0186676 0.2690809 -1.3701642 12 Se -1.6948263 -0.0163241 0.2030746 -0.1478872 -1.1856598 -0.1327959 -0.0186676 -0.2690809 -1.3701642 13 Se -1.5368422 -0.5500268 0.2497769 -0.4474280 -1.5911183 0.0596986 0.1742993 -0.0464626 -1.0883000 14 Se -1.5368422 0.5500268 0.2497769 0.4474280 -1.5911183 -0.0596986 0.1742993 0.0464626 -1.0883000 15 Se -1.5368422 -0.5500268 0.2497769 -0.4474280 -1.5911183 0.0596986 0.1742993 -0.0464626 -1.0883000 16 Se -1.5368422 0.5500268 0.2497769 0.4474280 -1.5911183 -0.0596986 0.1742993 0.0464626 -1.0883000 17 Ba 2.7334306 -0.1364038 -0.1320879 -0.2072911 2.5026037 0.1488283 -0.0073884 0.3404707 2.7715011 18 Ba 2.7334306 0.1364038 -0.1320879 0.2072911 2.5026037 -0.1488283 -0.0073884 -0.3404707 2.7715011 19 Ba 2.7334306 -0.1364038 -0.1320879 -0.2072911 2.5026037 0.1488283 -0.0073884 0.3404707 2.7715011 20 Ba 2.7334306 0.1364038 -0.1320879 0.2072911 2.5026037 -0.1488283 -0.0073884 -0.3404707 2.7715011 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.197 Solver_block: 200 / 640 - Time: 2.190 Solver_block: 300 / 640 - Time: 2.186 Solver_block: 400 / 640 - Time: 2.190 Solver_block: 500 / 640 - Time: 2.193 Solver_block: 600 / 640 - Time: 2.192 Solver_block: 640 / 640 - Time: 0.934 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.131 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:50:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:50:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.986576130073558 0.000000000000000 0.000000000000000 b 0.000000000000000 7.821656300000000 0.000000000000000 c -6.829566096312650 0.000000000000000 10.260582299620399 Atomic positions (fractional): 1 P 0.10494351254221 0.11241278901183 0.06035191441081 30.974 2 P 0.89505648745779 0.61241278901183 0.43964808558919 30.974 3 P 0.89505648745779 0.88758721098817 0.93964808558919 30.974 4 P 0.10494351254221 0.38758721098817 0.56035191441081 30.974 5 Se 0.32632456173560 0.48334242705200 0.76032275748387 78.960 6 Se 0.67367543826440 0.98334242705200 0.73967724251613 78.960 7 Se 0.67367543826440 0.51665757294800 0.23967724251613 78.960 8 Se 0.32632456173560 0.01665757294800 0.26032275748387 78.960 9 Se 0.28601041527369 0.29067847606776 0.47281674192605 78.960 10 Se 0.71398958472631 0.79067847606776 0.02718325807395 78.960 11 Se 0.71398958472631 0.70932152393224 0.52718325807394 78.960 12 Se 0.28601041527369 0.20932152393224 0.97281674192606 78.960 13 Se 0.84924472552634 0.20094015599379 0.53548942400087 78.960 14 Se 0.15075527447366 0.70094015599379 0.96451057599913 78.960 15 Se 0.15075527447366 0.79905984400621 0.46451057599913 78.960 16 Se 0.84924472552634 0.29905984400621 0.03548942400087 78.960 17 Ba 0.79075854607014 0.09161950993552 0.25042057229557 137.327 18 Ba 0.20924145392986 0.59161950993552 0.24957942770443 137.327 19 Ba 0.20924145392986 0.90838049006448 0.74957942770443 137.327 20 Ba 0.79075854607014 0.40838049006448 0.75042057229557 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.973152260147115 0.000000000000000 0.000000000000000 b 0.000000000000000 15.643312600000000 0.000000000000000 c -6.829566096312650 0.000000000000000 10.260582299620399 Atomic positions (fractional): 1 P 0.05247175627111 0.05620639450592 0.06035191441081 30.974 > 1 2 P 0.55247175627111 0.05620639450592 0.06035191441081 30.974 > 1 3 P 0.05247175627111 0.55620639450592 0.06035191441081 30.974 > 1 4 P 0.55247175627111 0.55620639450592 0.06035191441081 30.974 > 1 5 P 0.44752824372889 0.30620639450592 0.43964808558919 30.974 > 5 6 P 0.94752824372889 0.30620639450592 0.43964808558919 30.974 > 5 7 P 0.44752824372889 0.80620639450592 0.43964808558919 30.974 > 5 8 P 0.94752824372889 0.80620639450592 0.43964808558919 30.974 > 5 9 P 0.44752824372889 0.44379360549408 0.93964808558919 30.974 > 9 10 P 0.94752824372889 0.44379360549408 0.93964808558919 30.974 > 9 11 P 0.44752824372889 0.94379360549408 0.93964808558919 30.974 > 9 12 P 0.94752824372889 0.94379360549408 0.93964808558919 30.974 > 9 13 P 0.05247175627111 0.19379360549408 0.56035191441081 30.974 > 13 14 P 0.55247175627111 0.19379360549408 0.56035191441081 30.974 > 13 15 P 0.05247175627111 0.69379360549408 0.56035191441081 30.974 > 13 16 P 0.55247175627111 0.69379360549408 0.56035191441081 30.974 > 13 17 Se 0.16316228086780 0.24167121352600 0.76032275748387 78.960 > 17 18 Se 0.66316228086780 0.24167121352600 0.76032275748387 78.960 > 17 19 Se 0.16316228086780 0.74167121352600 0.76032275748387 78.960 > 17 20 Se 0.66316228086780 0.74167121352600 0.76032275748387 78.960 > 17 21 Se 0.33683771913220 0.49167121352600 0.73967724251613 78.960 > 21 22 Se 0.83683771913220 0.49167121352600 0.73967724251613 78.960 > 21 23 Se 0.33683771913220 0.99167121352600 0.73967724251613 78.960 > 21 24 Se 0.83683771913220 0.99167121352600 0.73967724251613 78.960 > 21 25 Se 0.33683771913220 0.25832878647400 0.23967724251613 78.960 > 25 26 Se 0.83683771913220 0.25832878647400 0.23967724251613 78.960 > 25 27 Se 0.33683771913220 0.75832878647400 0.23967724251613 78.960 > 25 28 Se 0.83683771913220 0.75832878647400 0.23967724251613 78.960 > 25 29 Se 0.16316228086780 0.00832878647400 0.26032275748387 78.960 > 29 30 Se 0.66316228086780 0.00832878647400 0.26032275748387 78.960 > 29 31 Se 0.16316228086780 0.50832878647400 0.26032275748387 78.960 > 29 32 Se 0.66316228086780 0.50832878647400 0.26032275748387 78.960 > 29 33 Se 0.14300520763684 0.14533923803388 0.47281674192605 78.960 > 33 34 Se 0.64300520763684 0.14533923803388 0.47281674192605 78.960 > 33 35 Se 0.14300520763684 0.64533923803388 0.47281674192605 78.960 > 33 36 Se 0.64300520763684 0.64533923803388 0.47281674192605 78.960 > 33 37 Se 0.35699479236316 0.39533923803388 0.02718325807395 78.960 > 37 38 Se 0.85699479236316 0.39533923803388 0.02718325807395 78.960 > 37 39 Se 0.35699479236316 0.89533923803388 0.02718325807395 78.960 > 37 40 Se 0.85699479236316 0.89533923803388 0.02718325807395 78.960 > 37 41 Se 0.35699479236316 0.35466076196612 0.52718325807394 78.960 > 41 42 Se 0.85699479236316 0.35466076196612 0.52718325807394 78.960 > 41 43 Se 0.35699479236316 0.85466076196612 0.52718325807394 78.960 > 41 44 Se 0.85699479236316 0.85466076196612 0.52718325807394 78.960 > 41 45 Se 0.14300520763684 0.10466076196612 0.97281674192606 78.960 > 45 46 Se 0.64300520763684 0.10466076196612 0.97281674192606 78.960 > 45 47 Se 0.14300520763684 0.60466076196612 0.97281674192606 78.960 > 45 48 Se 0.64300520763684 0.60466076196612 0.97281674192606 78.960 > 45 49 Se 0.42462236276317 0.10047007799689 0.53548942400087 78.960 > 49 50 Se 0.92462236276317 0.10047007799689 0.53548942400087 78.960 > 49 51 Se 0.42462236276317 0.60047007799689 0.53548942400087 78.960 > 49 52 Se 0.92462236276317 0.60047007799689 0.53548942400087 78.960 > 49 53 Se 0.07537763723683 0.35047007799689 0.96451057599913 78.960 > 53 54 Se 0.57537763723683 0.35047007799689 0.96451057599913 78.960 > 53 55 Se 0.07537763723683 0.85047007799689 0.96451057599913 78.960 > 53 56 Se 0.57537763723683 0.85047007799689 0.96451057599913 78.960 > 53 57 Se 0.07537763723683 0.39952992200311 0.46451057599913 78.960 > 57 58 Se 0.57537763723683 0.39952992200311 0.46451057599913 78.960 > 57 59 Se 0.07537763723683 0.89952992200311 0.46451057599913 78.960 > 57 60 Se 0.57537763723683 0.89952992200311 0.46451057599913 78.960 > 57 61 Se 0.42462236276317 0.14952992200311 0.03548942400087 78.960 > 61 62 Se 0.92462236276317 0.14952992200311 0.03548942400087 78.960 > 61 63 Se 0.42462236276317 0.64952992200311 0.03548942400087 78.960 > 61 64 Se 0.92462236276317 0.64952992200311 0.03548942400087 78.960 > 61 65 Ba 0.39537927303507 0.04580975496776 0.25042057229557 137.327 > 65 66 Ba 0.89537927303507 0.04580975496776 0.25042057229557 137.327 > 65 67 Ba 0.39537927303507 0.54580975496776 0.25042057229557 137.327 > 65 68 Ba 0.89537927303507 0.54580975496776 0.25042057229557 137.327 > 65 69 Ba 0.10462072696493 0.29580975496776 0.24957942770443 137.327 > 69 70 Ba 0.60462072696493 0.29580975496776 0.24957942770443 137.327 > 69 71 Ba 0.10462072696493 0.79580975496776 0.24957942770443 137.327 > 69 72 Ba 0.60462072696493 0.79580975496776 0.24957942770443 137.327 > 69 73 Ba 0.10462072696493 0.45419024503224 0.74957942770443 137.327 > 73 74 Ba 0.60462072696493 0.45419024503224 0.74957942770443 137.327 > 73 75 Ba 0.10462072696493 0.95419024503224 0.74957942770443 137.327 > 73 76 Ba 0.60462072696493 0.95419024503224 0.74957942770443 137.327 > 73 77 Ba 0.39537927303507 0.20419024503224 0.75042057229557 137.327 > 77 78 Ba 0.89537927303507 0.20419024503224 0.75042057229557 137.327 > 77 79 Ba 0.39537927303507 0.70419024503224 0.75042057229557 137.327 > 77 80 Ba 0.89537927303507 0.70419024503224 0.75042057229557 137.327 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9695020 0.0000000 -0.1972710 0.0000000 6.4622157 0.0000000 -0.1972715 0.0000000 7.0123857 -------------------------- Born effective charges -------------------------- 1 P 1.8362324 -0.3728248 -0.4259075 -0.2655107 1.4284012 -0.3729592 -0.0988500 -0.4497081 1.7860397 2 P 1.8362324 0.3728248 -0.4259075 0.2655107 1.4284012 0.3729592 -0.0988500 0.4497081 1.7860397 3 P 1.8362324 -0.3728248 -0.4259075 -0.2655107 1.4284012 -0.3729592 -0.0988500 -0.4497081 1.7860397 4 P 1.8362324 0.3728248 -0.4259075 0.2655107 1.4284012 0.3729592 -0.0988500 0.4497081 1.7860397 5 Se -1.3379945 0.0368098 0.1051439 0.1008133 -1.1542268 -0.0194460 -0.0493932 -0.3941459 -2.0990766 6 Se -1.3379945 -0.0368098 0.1051439 -0.1008133 -1.1542268 0.0194460 -0.0493932 0.3941459 -2.0990766 7 Se -1.3379945 0.0368098 0.1051439 0.1008133 -1.1542268 -0.0194460 -0.0493932 -0.3941459 -2.0990766 8 Se -1.3379945 -0.0368098 0.1051439 -0.1008133 -1.1542268 0.0194460 -0.0493932 0.3941459 -2.0990766 9 Se -1.6948263 0.0163241 0.2030746 0.1478872 -1.1856598 0.1327959 -0.0186676 0.2690809 -1.3701642 10 Se -1.6948263 -0.0163241 0.2030746 -0.1478872 -1.1856598 -0.1327959 -0.0186676 -0.2690809 -1.3701642 11 Se -1.6948263 0.0163241 0.2030746 0.1478872 -1.1856598 0.1327959 -0.0186676 0.2690809 -1.3701642 12 Se -1.6948263 -0.0163241 0.2030746 -0.1478872 -1.1856598 -0.1327959 -0.0186676 -0.2690809 -1.3701642 13 Se -1.5368422 -0.5500268 0.2497769 -0.4474280 -1.5911183 0.0596986 0.1742993 -0.0464626 -1.0883000 14 Se -1.5368422 0.5500268 0.2497769 0.4474280 -1.5911183 -0.0596986 0.1742993 0.0464626 -1.0883000 15 Se -1.5368422 -0.5500268 0.2497769 -0.4474280 -1.5911183 0.0596986 0.1742993 -0.0464626 -1.0883000 16 Se -1.5368422 0.5500268 0.2497769 0.4474280 -1.5911183 -0.0596986 0.1742993 0.0464626 -1.0883000 17 Ba 2.7334306 -0.1364038 -0.1320879 -0.2072911 2.5026037 0.1488283 -0.0073884 0.3404707 2.7715011 18 Ba 2.7334306 0.1364038 -0.1320879 0.2072911 2.5026037 -0.1488283 -0.0073884 -0.3404707 2.7715011 19 Ba 2.7334306 -0.1364038 -0.1320879 -0.2072911 2.5026037 0.1488283 -0.0073884 0.3404707 2.7715011 20 Ba 2.7334306 0.1364038 -0.1320879 0.2072911 2.5026037 -0.1488283 -0.0073884 -0.3404707 2.7715011 ---------------------------------------------------------------------------- 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 17, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 33, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Computing fc3[ 65, 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (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 23:50:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:50:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.986576130073558 0.000000000000000 0.000000000000000 b 0.000000000000000 7.821656300000000 0.000000000000000 c -6.829566096312650 0.000000000000000 10.260582299620399 Atomic positions (fractional): 1 P 0.10494351254221 0.11241278901183 0.06035191441081 30.974 2 P 0.89505648745779 0.61241278901183 0.43964808558919 30.974 3 P 0.89505648745779 0.88758721098817 0.93964808558919 30.974 4 P 0.10494351254221 0.38758721098817 0.56035191441081 30.974 5 Se 0.32632456173560 0.48334242705200 0.76032275748387 78.960 6 Se 0.67367543826440 0.98334242705200 0.73967724251613 78.960 7 Se 0.67367543826440 0.51665757294800 0.23967724251613 78.960 8 Se 0.32632456173560 0.01665757294800 0.26032275748387 78.960 9 Se 0.28601041527369 0.29067847606776 0.47281674192605 78.960 10 Se 0.71398958472631 0.79067847606776 0.02718325807395 78.960 11 Se 0.71398958472631 0.70932152393224 0.52718325807394 78.960 12 Se 0.28601041527369 0.20932152393224 0.97281674192606 78.960 13 Se 0.84924472552634 0.20094015599379 0.53548942400087 78.960 14 Se 0.15075527447366 0.70094015599379 0.96451057599913 78.960 15 Se 0.15075527447366 0.79905984400621 0.46451057599913 78.960 16 Se 0.84924472552634 0.29905984400621 0.03548942400087 78.960 17 Ba 0.79075854607014 0.09161950993552 0.25042057229557 137.327 18 Ba 0.20924145392986 0.59161950993552 0.24957942770443 137.327 19 Ba 0.20924145392986 0.90838049006448 0.74957942770443 137.327 20 Ba 0.79075854607014 0.40838049006448 0.75042057229557 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.973152260147115 0.000000000000000 0.000000000000000 b 0.000000000000000 15.643312600000000 0.000000000000000 c -6.829566096312650 0.000000000000000 10.260582299620399 Atomic positions (fractional): 1 P 0.05247175627111 0.05620639450592 0.06035191441081 30.974 > 1 2 P 0.55247175627111 0.05620639450592 0.06035191441081 30.974 > 1 3 P 0.05247175627111 0.55620639450592 0.06035191441081 30.974 > 1 4 P 0.55247175627111 0.55620639450592 0.06035191441081 30.974 > 1 5 P 0.44752824372889 0.30620639450592 0.43964808558919 30.974 > 5 6 P 0.94752824372889 0.30620639450592 0.43964808558919 30.974 > 5 7 P 0.44752824372889 0.80620639450592 0.43964808558919 30.974 > 5 8 P 0.94752824372889 0.80620639450592 0.43964808558919 30.974 > 5 9 P 0.44752824372889 0.44379360549408 0.93964808558919 30.974 > 9 10 P 0.94752824372889 0.44379360549408 0.93964808558919 30.974 > 9 11 P 0.44752824372889 0.94379360549408 0.93964808558919 30.974 > 9 12 P 0.94752824372889 0.94379360549408 0.93964808558919 30.974 > 9 13 P 0.05247175627111 0.19379360549408 0.56035191441081 30.974 > 13 14 P 0.55247175627111 0.19379360549408 0.56035191441081 30.974 > 13 15 P 0.05247175627111 0.69379360549408 0.56035191441081 30.974 > 13 16 P 0.55247175627111 0.69379360549408 0.56035191441081 30.974 > 13 17 Se 0.16316228086780 0.24167121352600 0.76032275748387 78.960 > 17 18 Se 0.66316228086780 0.24167121352600 0.76032275748387 78.960 > 17 19 Se 0.16316228086780 0.74167121352600 0.76032275748387 78.960 > 17 20 Se 0.66316228086780 0.74167121352600 0.76032275748387 78.960 > 17 21 Se 0.33683771913220 0.49167121352600 0.73967724251613 78.960 > 21 22 Se 0.83683771913220 0.49167121352600 0.73967724251613 78.960 > 21 23 Se 0.33683771913220 0.99167121352600 0.73967724251613 78.960 > 21 24 Se 0.83683771913220 0.99167121352600 0.73967724251613 78.960 > 21 25 Se 0.33683771913220 0.25832878647400 0.23967724251613 78.960 > 25 26 Se 0.83683771913220 0.25832878647400 0.23967724251613 78.960 > 25 27 Se 0.33683771913220 0.75832878647400 0.23967724251613 78.960 > 25 28 Se 0.83683771913220 0.75832878647400 0.23967724251613 78.960 > 25 29 Se 0.16316228086780 0.00832878647400 0.26032275748387 78.960 > 29 30 Se 0.66316228086780 0.00832878647400 0.26032275748387 78.960 > 29 31 Se 0.16316228086780 0.50832878647400 0.26032275748387 78.960 > 29 32 Se 0.66316228086780 0.50832878647400 0.26032275748387 78.960 > 29 33 Se 0.14300520763684 0.14533923803388 0.47281674192605 78.960 > 33 34 Se 0.64300520763684 0.14533923803388 0.47281674192605 78.960 > 33 35 Se 0.14300520763684 0.64533923803388 0.47281674192605 78.960 > 33 36 Se 0.64300520763684 0.64533923803388 0.47281674192605 78.960 > 33 37 Se 0.35699479236316 0.39533923803388 0.02718325807395 78.960 > 37 38 Se 0.85699479236316 0.39533923803388 0.02718325807395 78.960 > 37 39 Se 0.35699479236316 0.89533923803388 0.02718325807395 78.960 > 37 40 Se 0.85699479236316 0.89533923803388 0.02718325807395 78.960 > 37 41 Se 0.35699479236316 0.35466076196612 0.52718325807394 78.960 > 41 42 Se 0.85699479236316 0.35466076196612 0.52718325807394 78.960 > 41 43 Se 0.35699479236316 0.85466076196612 0.52718325807394 78.960 > 41 44 Se 0.85699479236316 0.85466076196612 0.52718325807394 78.960 > 41 45 Se 0.14300520763684 0.10466076196612 0.97281674192606 78.960 > 45 46 Se 0.64300520763684 0.10466076196612 0.97281674192606 78.960 > 45 47 Se 0.14300520763684 0.60466076196612 0.97281674192606 78.960 > 45 48 Se 0.64300520763684 0.60466076196612 0.97281674192606 78.960 > 45 49 Se 0.42462236276317 0.10047007799689 0.53548942400087 78.960 > 49 50 Se 0.92462236276317 0.10047007799689 0.53548942400087 78.960 > 49 51 Se 0.42462236276317 0.60047007799689 0.53548942400087 78.960 > 49 52 Se 0.92462236276317 0.60047007799689 0.53548942400087 78.960 > 49 53 Se 0.07537763723683 0.35047007799689 0.96451057599913 78.960 > 53 54 Se 0.57537763723683 0.35047007799689 0.96451057599913 78.960 > 53 55 Se 0.07537763723683 0.85047007799689 0.96451057599913 78.960 > 53 56 Se 0.57537763723683 0.85047007799689 0.96451057599913 78.960 > 53 57 Se 0.07537763723683 0.39952992200311 0.46451057599913 78.960 > 57 58 Se 0.57537763723683 0.39952992200311 0.46451057599913 78.960 > 57 59 Se 0.07537763723683 0.89952992200311 0.46451057599913 78.960 > 57 60 Se 0.57537763723683 0.89952992200311 0.46451057599913 78.960 > 57 61 Se 0.42462236276317 0.14952992200311 0.03548942400087 78.960 > 61 62 Se 0.92462236276317 0.14952992200311 0.03548942400087 78.960 > 61 63 Se 0.42462236276317 0.64952992200311 0.03548942400087 78.960 > 61 64 Se 0.92462236276317 0.64952992200311 0.03548942400087 78.960 > 61 65 Ba 0.39537927303507 0.04580975496776 0.25042057229557 137.327 > 65 66 Ba 0.89537927303507 0.04580975496776 0.25042057229557 137.327 > 65 67 Ba 0.39537927303507 0.54580975496776 0.25042057229557 137.327 > 65 68 Ba 0.89537927303507 0.54580975496776 0.25042057229557 137.327 > 65 69 Ba 0.10462072696493 0.29580975496776 0.24957942770443 137.327 > 69 70 Ba 0.60462072696493 0.29580975496776 0.24957942770443 137.327 > 69 71 Ba 0.10462072696493 0.79580975496776 0.24957942770443 137.327 > 69 72 Ba 0.60462072696493 0.79580975496776 0.24957942770443 137.327 > 69 73 Ba 0.10462072696493 0.45419024503224 0.74957942770443 137.327 > 73 74 Ba 0.60462072696493 0.45419024503224 0.74957942770443 137.327 > 73 75 Ba 0.10462072696493 0.95419024503224 0.74957942770443 137.327 > 73 76 Ba 0.60462072696493 0.95419024503224 0.74957942770443 137.327 > 73 77 Ba 0.39537927303507 0.20419024503224 0.75042057229557 137.327 > 77 78 Ba 0.89537927303507 0.20419024503224 0.75042057229557 137.327 > 77 79 Ba 0.39537927303507 0.70419024503224 0.75042057229557 137.327 > 77 80 Ba 0.89537927303507 0.70419024503224 0.75042057229557 137.327 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.9695020 0.0000000 -0.1972710 0.0000000 6.4622157 0.0000000 -0.1972715 0.0000000 7.0123857 -------------------------- Born effective charges -------------------------- 1 P 1.8362324 -0.3728248 -0.4259075 -0.2655107 1.4284012 -0.3729592 -0.0988500 -0.4497081 1.7860397 2 P 1.8362324 0.3728248 -0.4259075 0.2655107 1.4284012 0.3729592 -0.0988500 0.4497081 1.7860397 3 P 1.8362324 -0.3728248 -0.4259075 -0.2655107 1.4284012 -0.3729592 -0.0988500 -0.4497081 1.7860397 4 P 1.8362324 0.3728248 -0.4259075 0.2655107 1.4284012 0.3729592 -0.0988500 0.4497081 1.7860397 5 Se -1.3379945 0.0368098 0.1051439 0.1008133 -1.1542268 -0.0194460 -0.0493932 -0.3941459 -2.0990766 6 Se -1.3379945 -0.0368098 0.1051439 -0.1008133 -1.1542268 0.0194460 -0.0493932 0.3941459 -2.0990766 7 Se -1.3379945 0.0368098 0.1051439 0.1008133 -1.1542268 -0.0194460 -0.0493932 -0.3941459 -2.0990766 8 Se -1.3379945 -0.0368098 0.1051439 -0.1008133 -1.1542268 0.0194460 -0.0493932 0.3941459 -2.0990766 9 Se -1.6948263 0.0163241 0.2030746 0.1478872 -1.1856598 0.1327959 -0.0186676 0.2690809 -1.3701642 10 Se -1.6948263 -0.0163241 0.2030746 -0.1478872 -1.1856598 -0.1327959 -0.0186676 -0.2690809 -1.3701642 11 Se -1.6948263 0.0163241 0.2030746 0.1478872 -1.1856598 0.1327959 -0.0186676 0.2690809 -1.3701642 12 Se -1.6948263 -0.0163241 0.2030746 -0.1478872 -1.1856598 -0.1327959 -0.0186676 -0.2690809 -1.3701642 13 Se -1.5368422 -0.5500268 0.2497769 -0.4474280 -1.5911183 0.0596986 0.1742993 -0.0464626 -1.0883000 14 Se -1.5368422 0.5500268 0.2497769 0.4474280 -1.5911183 -0.0596986 0.1742993 0.0464626 -1.0883000 15 Se -1.5368422 -0.5500268 0.2497769 -0.4474280 -1.5911183 0.0596986 0.1742993 -0.0464626 -1.0883000 16 Se -1.5368422 0.5500268 0.2497769 0.4474280 -1.5911183 -0.0596986 0.1742993 0.0464626 -1.0883000 17 Ba 2.7334306 -0.1364038 -0.1320879 -0.2072911 2.5026037 0.1488283 -0.0073884 0.3404707 2.7715011 18 Ba 2.7334306 0.1364038 -0.1320879 0.2072911 2.5026037 -0.1488283 -0.0073884 -0.3404707 2.7715011 19 Ba 2.7334306 -0.1364038 -0.1320879 -0.2072911 2.5026037 0.1488283 -0.0073884 0.3404707 2.7715011 20 Ba 2.7334306 0.1364038 -0.1320879 0.2072911 2.5026037 -0.1488283 -0.0073884 -0.3404707 2.7715011 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 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: 0.50, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 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 1.298 ( 0.000 0.000 0.000) 0.000 1.510 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.657 ( 0.000 0.000 0.000) 0.000 1.833 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 3.002 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.846 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 8.604 ( 0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 13.224 ( 0.000 0.000 0.000) 0.000 13.337 ( 0.000 0.000 0.000) 0.000 13.353 ( 0.000 0.000 0.000) 0.000 13.402 ( 0.000 0.000 0.000) 0.000 13.562 ( 0.000 0.000 0.000) 0.000 13.659 ( 0.000 0.000 0.000) 0.000 13.744 ( 0.000 0.000 0.000) 0.000 13.846 ( 0.000 0.000 0.000) 0.000 13.903 ( 0.000 0.000 0.000) 0.000 14.025 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( 7.348 0.000 8.746) 11.423 0.278 ( 18.218 0.000 -0.979) 18.244 0.621 ( 22.134 0.000 22.828) 31.797 1.280 ( -0.245 0.000 -2.915) 2.925 1.459 ( -1.739 0.000 -7.029) 7.241 1.564 ( 1.610 0.000 -7.928) 8.090 1.616 ( 0.194 0.000 2.146) 2.155 1.696 ( -3.757 0.000 8.419) 9.219 1.719 ( -3.050 0.000 -5.609) 6.384 1.864 ( -1.297 0.000 -0.856) 1.554 1.939 ( 3.982 0.000 2.336) 4.617 1.954 ( -1.997 0.000 -2.745) 3.395 2.041 ( -1.034 0.000 4.414) 4.533 2.211 ( 7.769 0.000 -3.174) 8.393 2.235 ( -1.768 0.000 0.595) 1.865 2.347 ( 2.052 0.000 -1.437) 2.505 2.403 ( -4.552 0.000 0.101) 4.553 2.442 ( -1.858 0.000 0.371) 1.895 2.496 ( -1.350 0.000 -0.298) 1.383 2.514 ( -2.945 0.000 -1.214) 3.186 2.608 ( -0.862 0.000 -1.834) 2.026 2.720 ( 3.412 0.000 -5.063) 6.105 2.778 ( -2.708 0.000 6.115) 6.688 2.819 ( 0.059 0.000 -1.358) 1.359 2.916 ( 0.882 0.000 1.670) 1.888 2.958 ( 8.831 0.000 -10.531) 13.744 3.047 ( -3.522 0.000 5.466) 6.502 3.049 ( 4.757 0.000 3.631) 5.984 3.144 ( 2.183 0.000 1.461) 2.627 3.198 ( -0.586 0.000 -1.757) 1.852 3.404 ( 1.222 0.000 2.893) 3.141 3.459 ( 1.829 0.000 -0.821) 2.005 3.535 ( 1.441 0.000 0.054) 1.442 3.582 ( 2.328 0.000 0.018) 2.328 3.647 ( -0.445 0.000 -1.631) 1.691 3.713 ( -0.695 0.000 -0.819) 1.074 3.807 ( 3.554 0.000 2.022) 4.089 3.979 ( 3.391 0.000 -6.830) 7.625 4.230 ( -1.580 0.000 1.379) 2.097 4.265 ( -1.777 0.000 1.167) 2.125 4.303 ( 1.155 0.000 0.035) 1.156 4.304 ( -0.395 0.000 3.412) 3.435 4.604 ( -1.110 0.000 0.030) 1.110 4.685 ( -1.895 0.000 -0.806) 2.059 5.199 ( 0.762 0.000 1.664) 1.831 5.214 ( -0.598 0.000 -1.135) 1.283 6.407 ( -0.271 0.000 0.656) 0.710 6.416 ( -0.717 0.000 0.104) 0.725 8.640 ( -1.304 0.000 3.727) 3.948 8.655 ( -0.485 0.000 -0.699) 0.851 13.242 ( 1.604 0.000 0.555) 1.697 13.355 ( 0.603 0.000 -0.648) 0.885 13.418 ( 1.203 0.000 0.839) 1.467 13.422 ( 6.738 0.000 -12.751) 14.421 13.545 ( -1.671 0.000 -0.100) 1.674 13.649 ( -1.980 0.000 1.164) 2.297 13.823 ( -2.076 0.000 -1.308) 2.454 13.871 ( -7.105 0.000 8.587) 11.146 13.923 ( 2.277 0.000 -0.167) 2.283 14.015 ( -1.083 0.000 0.248) 1.111 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 7.284 0.000 7.693) 10.595 0.559 ( 17.633 0.000 0.190) 17.634 1.150 ( 14.530 0.000 18.525) 23.543 1.242 ( 0.224 0.000 -2.506) 2.516 1.298 ( -4.859 0.000 -13.165) 14.033 1.526 ( 4.537 0.000 -8.690) 9.803 1.592 ( -3.142 0.000 -1.540) 3.499 1.668 ( -0.820 0.000 2.328) 2.468 1.698 ( -6.624 0.000 7.410) 9.939 1.847 ( -1.971 0.000 2.863) 3.476 1.922 ( 2.428 0.000 -1.489) 2.848 2.046 ( 7.405 0.000 0.798) 7.448 2.082 ( -0.768 0.000 3.968) 4.042 2.199 ( -3.095 0.000 -0.033) 3.095 2.276 ( -7.402 0.000 -0.292) 7.408 2.276 ( 1.401 0.000 -1.890) 2.353 2.357 ( 0.111 0.000 -3.696) 3.698 2.419 ( 0.555 0.000 -1.212) 1.333 2.464 ( -1.551 0.000 -0.019) 1.551 2.499 ( 0.607 0.000 1.480) 1.600 2.568 ( 0.396 0.000 -3.868) 3.888 2.717 ( 2.298 0.000 -1.743) 2.884 2.783 ( -0.873 0.000 0.051) 0.874 2.850 ( 2.336 0.000 0.509) 2.391 2.919 ( -2.867 0.000 1.467) 3.220 3.003 ( 4.339 0.000 -0.509) 4.368 3.056 ( 2.270 0.000 -2.601) 3.452 3.115 ( 0.646 0.000 -1.224) 1.384 3.185 ( 2.548 0.000 -1.624) 3.021 3.236 ( 6.571 0.000 1.872) 6.833 3.469 ( 1.967 0.000 4.216) 4.652 3.489 ( 2.854 0.000 -0.840) 2.975 3.571 ( 1.600 0.000 1.386) 2.117 3.612 ( -0.778 0.000 -2.624) 2.737 3.633 ( 3.385 0.000 0.410) 3.410 3.698 ( 0.318 0.000 -1.022) 1.070 3.890 ( 4.052 0.000 1.572) 4.346 3.952 ( 0.903 0.000 -4.629) 4.716 4.214 ( -2.418 0.000 1.624) 2.913 4.244 ( -2.126 0.000 0.656) 2.225 4.329 ( 1.789 0.000 0.405) 1.834 4.344 ( 1.888 0.000 1.743) 2.570 4.579 ( -2.108 0.000 0.077) 2.110 4.634 ( -2.930 0.000 -1.253) 3.187 5.184 ( -0.920 0.000 -1.899) 2.110 5.237 ( 1.422 0.000 1.846) 2.330 6.402 ( -1.108 0.000 0.207) 1.128 6.411 ( -0.409 0.000 1.081) 1.156 8.634 ( -0.841 0.000 -1.111) 1.393 8.665 ( 0.217 0.000 2.462) 2.471 13.270 ( 1.087 0.000 -0.380) 1.152 13.351 ( 0.603 0.000 -2.218) 2.299 13.387 ( 1.678 0.000 -6.061) 6.289 13.438 ( -0.188 0.000 0.513) 0.546 13.535 ( 0.656 0.000 1.231) 1.395 13.624 ( -2.955 0.000 1.866) 3.495 13.754 ( -4.523 0.000 -1.166) 4.671 13.845 ( -4.774 0.000 4.500) 6.561 13.969 ( 3.212 0.000 0.475) 3.247 14.005 ( -0.303 0.000 0.236) 0.384 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 5.965 0.000 5.618) 8.194 0.835 ( 15.725 0.000 1.232) 15.773 1.057 ( -5.804 0.000 -14.118) 15.265 1.212 ( -1.557 0.000 1.220) 1.979 1.442 ( 4.459 0.000 5.325) 6.946 1.500 ( 3.333 0.000 -9.569) 10.133 1.544 ( -1.817 0.000 0.286) 1.839 1.660 ( -7.167 0.000 7.442) 10.332 1.697 ( -0.973 0.000 4.936) 5.031 1.923 ( 3.086 0.000 9.519) 10.006 1.991 ( 6.195 0.000 1.418) 6.355 2.046 ( -1.767 0.000 -5.314) 5.600 2.127 ( -1.976 0.000 -5.677) 6.011 2.129 ( -7.628 0.000 1.881) 7.857 2.193 ( 7.713 0.000 -1.460) 7.850 2.271 ( -2.411 0.000 2.238) 3.289 2.326 ( -1.215 0.000 0.358) 1.266 2.428 ( 1.903 0.000 -1.151) 2.224 2.472 ( 1.628 0.000 0.575) 1.727 2.522 ( 3.473 0.000 -4.578) 5.746 2.552 ( -1.750 0.000 2.959) 3.438 2.745 ( -2.084 0.000 -3.445) 4.026 2.753 ( 0.976 0.000 2.792) 2.958 2.884 ( -1.972 0.000 0.202) 1.982 2.891 ( 3.056 0.000 -0.681) 3.131 3.043 ( 0.799 0.000 0.813) 1.140 3.077 ( -1.626 0.000 -2.568) 3.040 3.085 ( 3.778 0.000 -1.484) 4.059 3.219 ( 3.126 0.000 -1.976) 3.698 3.364 ( 6.533 0.000 1.508) 6.705 3.523 ( -0.489 0.000 -0.161) 0.515 3.525 ( 2.074 0.000 -0.224) 2.086 3.586 ( 0.993 0.000 0.895) 1.337 3.597 ( 0.325 0.000 0.434) 0.542 3.696 ( 3.124 0.000 1.122) 3.319 3.710 ( 1.532 0.000 0.131) 1.538 3.912 ( 0.086 0.000 -4.206) 4.207 3.957 ( 2.828 0.000 0.421) 2.859 4.191 ( -2.147 0.000 1.173) 2.447 4.215 ( -1.947 0.000 0.376) 1.983 4.364 ( 1.774 0.000 0.429) 1.825 4.393 ( 2.119 0.000 0.981) 2.335 4.543 ( -2.348 0.000 0.214) 2.357 4.575 ( -2.554 0.000 -1.023) 2.752 5.150 ( -0.785 0.000 -1.824) 1.985 5.276 ( 1.205 0.000 1.321) 1.789 6.387 ( -0.995 0.000 0.225) 1.020 6.416 ( -0.345 0.000 1.033) 1.089 8.608 ( -0.845 0.000 -1.027) 1.330 8.695 ( 0.573 0.000 1.670) 1.766 13.258 ( -0.933 0.000 -1.593) 1.846 13.326 ( 0.360 0.000 -3.565) 3.583 13.356 ( -0.197 0.000 -2.007) 2.017 13.433 ( -0.560 0.000 0.229) 0.605 13.569 ( 1.135 0.000 -0.113) 1.140 13.599 ( -2.390 0.000 1.631) 2.893 13.686 ( -3.098 0.000 1.877) 3.622 13.818 ( -3.170 0.000 2.416) 3.986 14.008 ( 0.368 0.000 0.032) 0.369 14.028 ( 2.877 0.000 0.911) 3.018 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 2.401 0.000 2.090) 3.183 0.866 ( -2.763 0.000 -6.578) 7.134 1.062 ( 10.157 0.000 0.628) 10.177 1.198 ( -3.097 0.000 2.046) 3.712 1.426 ( -1.875 0.000 -3.317) 3.810 1.500 ( 2.835 0.000 -2.938) 4.082 1.533 ( -0.597 0.000 0.706) 0.925 1.643 ( -3.755 0.000 5.544) 6.696 1.727 ( -0.697 0.000 2.784) 2.870 1.954 ( -1.405 0.000 -3.731) 3.987 1.995 ( -2.086 0.000 2.231) 3.054 2.056 ( 1.974 0.000 -4.434) 4.853 2.066 ( -2.260 0.000 0.669) 2.357 2.163 ( 6.801 0.000 4.826) 8.340 2.254 ( -3.507 0.000 2.043) 4.058 2.260 ( 2.767 0.000 -2.076) 3.459 2.327 ( 0.346 0.000 0.360) 0.500 2.454 ( 0.551 0.000 1.644) 1.734 2.522 ( 3.046 0.000 2.280) 3.804 2.526 ( 4.849 0.000 -6.053) 7.756 2.549 ( -4.420 0.000 4.755) 6.492 2.643 ( -3.938 0.000 -5.329) 6.627 2.791 ( 0.121 0.000 1.987) 1.991 2.871 ( -0.027 0.000 -0.147) 0.149 2.936 ( 2.972 0.000 -0.313) 2.989 3.023 ( -2.140 0.000 -1.388) 2.551 3.075 ( 0.046 0.000 3.734) 3.735 3.107 ( 1.613 0.000 -3.030) 3.432 3.238 ( 1.301 0.000 -1.042) 1.667 3.454 ( 2.746 0.000 0.602) 2.811 3.483 ( -1.051 0.000 -1.633) 1.942 3.543 ( 0.507 0.000 -0.081) 0.513 3.601 ( 0.159 0.000 0.026) 0.161 3.631 ( 0.962 0.000 1.594) 1.862 3.733 ( 0.748 0.000 0.275) 0.797 3.747 ( 1.354 0.000 1.141) 1.770 3.872 ( -0.227 0.000 -2.443) 2.453 3.988 ( 0.863 0.000 -0.050) 0.864 4.176 ( -0.749 0.000 0.454) 0.876 4.196 ( -0.784 0.000 0.147) 0.798 4.387 ( 0.701 0.000 0.058) 0.703 4.423 ( 0.772 0.000 0.157) 0.788 4.518 ( -0.980 0.000 0.259) 1.014 4.540 ( -0.940 0.000 -0.293) 0.985 5.126 ( -0.299 0.000 -0.759) 0.816 5.299 ( 0.450 0.000 0.454) 0.639 6.377 ( -0.401 0.000 0.099) 0.413 6.421 ( -0.131 0.000 0.430) 0.449 8.590 ( -0.363 0.000 -0.422) 0.556 8.714 ( 0.275 0.000 0.607) 0.667 13.228 ( -0.689 0.000 -0.796) 1.053 13.301 ( 0.057 0.000 -1.457) 1.458 13.338 ( -0.263 0.000 -0.564) 0.622 13.424 ( -0.437 0.000 -0.219) 0.488 13.563 ( -0.354 0.000 -0.449) 0.572 13.585 ( -0.876 0.000 0.621) 1.074 13.693 ( -0.037 0.000 1.667) 1.668 13.799 ( -1.144 0.000 0.778) 1.383 14.014 ( 0.234 0.000 -0.027) 0.236 14.069 ( 1.158 0.000 0.444) 1.240 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.218 ( 0.000 10.664 0.000) 10.664 0.446 ( 0.000 20.113 0.000) 20.113 0.499 ( 0.000 21.028 0.000) 21.028 1.256 ( 0.000 -3.446 0.000) 3.446 1.472 ( 0.000 -9.559 0.000) 9.559 1.495 ( 0.000 -2.642 0.000) 2.642 1.586 ( 0.000 -1.036 0.000) 1.036 1.610 ( 0.000 -2.055 0.000) 2.055 1.831 ( 0.000 -2.329 0.000) 2.329 1.835 ( 0.000 -0.998 0.000) 0.998 1.904 ( 0.000 -0.819 0.000) 0.819 1.958 ( 0.000 -4.887 0.000) 4.887 2.038 ( 0.000 4.500 0.000) 4.500 2.050 ( 0.000 -0.037 0.000) 0.037 2.265 ( 0.000 1.480 0.000) 1.480 2.317 ( 0.000 -0.630 0.000) 0.630 2.456 ( 0.000 1.104 0.000) 1.104 2.462 ( 0.000 -3.617 0.000) 3.617 2.547 ( 0.000 4.545 0.000) 4.545 2.595 ( 0.000 0.974 0.000) 0.974 2.604 ( 0.000 1.245 0.000) 1.245 2.704 ( 0.000 1.277 0.000) 1.277 2.785 ( 0.000 -4.419 0.000) 4.419 2.829 ( 0.000 -1.525 0.000) 1.525 2.876 ( 0.000 -0.974 0.000) 0.974 2.934 ( 0.000 -1.529 0.000) 1.529 3.045 ( 0.000 2.136 0.000) 2.136 3.048 ( 0.000 5.071 0.000) 5.071 3.151 ( 0.000 2.653 0.000) 2.653 3.258 ( 0.000 -2.080 0.000) 2.080 3.415 ( 0.000 2.766 0.000) 2.766 3.429 ( 0.000 -1.682 0.000) 1.682 3.536 ( 0.000 1.047 0.000) 1.047 3.549 ( 0.000 -1.182 0.000) 1.182 3.644 ( 0.000 -1.034 0.000) 1.034 3.703 ( 0.000 -2.369 0.000) 2.369 3.781 ( 0.000 1.150 0.000) 1.150 3.842 ( 0.000 -0.341 0.000) 0.341 4.223 ( 0.000 -1.130 0.000) 1.130 4.270 ( 0.000 0.302 0.000) 0.302 4.293 ( 0.000 -0.060 0.000) 0.060 4.323 ( 0.000 2.030 0.000) 2.030 4.609 ( 0.000 -0.276 0.000) 0.276 4.693 ( 0.000 -1.113 0.000) 1.113 5.184 ( 0.000 0.569 0.000) 0.569 5.290 ( 0.000 -1.002 0.000) 1.002 6.413 ( 0.000 0.574 0.000) 0.574 6.424 ( 0.000 0.282 0.000) 0.282 8.613 ( 0.000 0.879 0.000) 0.879 8.758 ( 0.000 -1.371 0.000) 1.371 13.238 ( 0.000 -0.330 0.000) 0.330 13.304 ( 0.000 -2.072 0.000) 2.072 13.375 ( 0.000 1.744 0.000) 1.744 13.428 ( 0.000 1.444 0.000) 1.444 13.665 ( 0.000 0.990 0.000) 0.990 13.698 ( 0.000 1.675 0.000) 1.675 13.750 ( 0.000 0.475 0.000) 0.475 13.851 ( 0.000 0.324 0.000) 0.324 13.909 ( 0.000 0.659 0.000) 0.659 14.002 ( 0.000 -1.873 0.000) 1.873 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 5.965 10.090 6.705) 13.504 0.530 ( 10.729 16.786 -2.231) 20.046 0.728 ( 14.786 9.370 16.803) 24.264 1.237 ( -0.120 -3.115 -2.986) 4.317 1.465 ( 0.743 -7.573 -0.864) 7.659 1.470 ( -0.632 -0.065 -6.487) 6.518 1.524 ( -5.837 -5.084 1.760) 7.938 1.660 ( 4.487 0.318 -0.805) 4.570 1.803 ( -3.454 -0.735 2.275) 4.200 1.838 ( 0.649 -1.363 -0.172) 1.520 1.898 ( -0.642 -4.265 -3.593) 5.613 1.923 ( -2.190 -1.590 1.779) 3.239 2.060 ( 0.371 1.722 1.917) 2.603 2.140 ( 5.555 -2.494 1.845) 6.363 2.220 ( -3.560 -0.631 1.437) 3.890 2.342 ( 1.781 -0.437 -0.145) 1.840 2.420 ( -3.653 -0.410 -2.016) 4.192 2.458 ( 0.056 1.521 0.039) 1.523 2.500 ( -4.493 -0.089 -0.205) 4.498 2.541 ( -3.770 2.345 -1.503) 4.687 2.603 ( 0.353 1.320 -2.792) 3.108 2.718 ( 4.165 0.482 -2.879) 5.086 2.767 ( 2.614 -2.325 -1.368) 3.757 2.856 ( -0.546 1.776 2.348) 2.994 2.915 ( 0.448 -0.389 2.091) 2.174 2.958 ( 6.928 -0.516 -7.123) 9.950 3.054 ( 0.714 1.441 2.051) 2.606 3.083 ( 2.628 2.668 1.042) 3.887 3.179 ( 1.476 2.542 2.416) 3.805 3.220 ( -1.710 0.477 -1.049) 2.062 3.427 ( 0.453 0.822 2.182) 2.375 3.448 ( 2.187 -0.116 -0.305) 2.211 3.548 ( 1.638 0.146 -0.255) 1.664 3.569 ( 2.031 -0.430 0.544) 2.146 3.634 ( -0.309 -0.469 -1.165) 1.294 3.691 ( -0.559 -2.069 -0.894) 2.322 3.809 ( 2.846 0.217 1.331) 3.149 3.909 ( 4.551 -3.170 -1.227) 5.680 4.215 ( -0.366 -0.538 -0.544) 0.848 4.268 ( -1.961 -0.334 1.666) 2.594 4.303 ( 1.268 0.101 0.102) 1.276 4.329 ( 0.620 1.756 0.698) 1.989 4.600 ( -1.182 -0.285 0.127) 1.222 4.675 ( -1.839 -0.963 -0.564) 2.151 5.196 ( 0.675 0.211 0.926) 1.165 5.250 ( -1.906 0.835 -1.886) 2.808 6.413 ( -0.430 0.473 0.547) 0.841 6.421 ( -0.492 0.435 0.222) 0.694 8.629 ( 0.568 0.412 1.499) 1.655 8.707 ( -3.107 1.161 -1.136) 3.506 13.254 ( 1.668 0.401 0.681) 1.845 13.330 ( 3.646 -3.416 -3.289) 5.981 13.374 ( 0.020 1.595 -0.085) 1.598 13.449 ( 2.283 0.850 -0.928) 2.607 13.600 ( -3.167 2.724 -2.403) 4.819 13.674 ( -1.609 2.094 0.090) 2.642 13.810 ( -2.103 -2.754 6.696) 7.540 13.826 ( -2.391 -0.047 -1.277) 2.712 13.925 ( 1.766 0.470 0.236) 1.843 13.997 ( -0.664 -1.398 0.477) 1.619 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 5.488 9.850 7.650) 13.626 0.707 ( 13.813 11.670 -1.948) 18.187 1.145 ( 13.243 -1.114 14.351) 19.559 1.203 ( -0.281 -2.490 -2.245) 3.364 1.313 ( -5.254 1.285 -11.886) 13.059 1.457 ( -3.323 -5.841 -0.579) 6.745 1.492 ( 2.846 -4.551 -1.002) 5.461 1.708 ( 0.780 1.144 1.027) 1.724 1.774 ( -3.886 1.857 3.097) 5.305 1.807 ( -5.276 -2.299 0.638) 5.790 1.879 ( 3.590 -1.387 -0.966) 3.968 1.945 ( 2.086 -7.117 0.934) 7.476 2.099 ( 2.539 0.689 2.689) 3.762 2.178 ( -2.255 -1.595 1.844) 3.321 2.233 ( 0.563 -2.045 2.058) 2.956 2.288 ( -6.185 0.555 -2.129) 6.565 2.391 ( 3.501 -1.987 -3.834) 5.559 2.424 ( -2.280 1.918 -0.793) 3.083 2.463 ( -0.710 1.760 1.289) 2.294 2.502 ( -0.755 0.646 0.256) 1.026 2.568 ( 1.434 0.725 -4.043) 4.350 2.767 ( 2.291 4.304 -1.207) 5.023 2.800 ( 3.322 -2.763 -1.471) 4.565 2.858 ( 0.545 3.838 -0.513) 3.911 2.923 ( -1.912 -0.044 2.308) 2.997 2.993 ( 4.024 -0.796 -2.594) 4.853 3.077 ( 0.642 1.207 -2.341) 2.711 3.120 ( 1.953 0.398 -1.027) 2.242 3.224 ( 2.874 2.939 -0.512) 4.142 3.252 ( 4.913 1.332 2.588) 5.711 3.477 ( 2.299 -1.059 1.654) 3.023 3.485 ( 1.834 1.152 1.853) 2.851 3.578 ( 1.624 -0.390 0.526) 1.751 3.592 ( -0.048 -0.438 -2.077) 2.123 3.632 ( 2.252 0.183 0.401) 2.295 3.680 ( 0.748 -1.616 -0.735) 1.926 3.882 ( 3.940 -0.661 1.447) 4.249 3.931 ( 1.633 -1.664 -3.186) 3.948 4.201 ( -1.459 -0.535 0.608) 1.669 4.243 ( -2.453 -0.326 0.511) 2.527 4.332 ( 2.002 0.206 0.187) 2.021 4.357 ( 1.590 0.872 1.114) 2.128 4.575 ( -2.173 -0.269 0.230) 2.202 4.628 ( -2.829 -0.570 -0.903) 3.024 5.195 ( -1.029 0.634 -1.807) 2.174 5.234 ( 0.902 -0.257 1.253) 1.565 6.406 ( -0.962 0.417 0.343) 1.103 6.419 ( -0.505 0.556 0.871) 1.150 8.645 ( -0.473 0.743 -0.550) 1.039 8.670 ( -0.576 0.379 1.261) 1.437 13.290 ( 1.666 1.328 0.016) 2.131 13.336 ( 2.130 -1.961 -4.147) 5.057 13.367 ( -0.440 0.523 -0.951) 1.171 13.466 ( 0.712 1.056 -1.149) 1.716 13.552 ( -1.123 1.505 0.854) 2.063 13.646 ( -2.465 1.799 0.913) 3.185 13.755 ( -4.624 -0.172 -0.692) 4.678 13.820 ( -3.287 -1.751 4.230) 5.636 13.966 ( 2.736 -0.198 0.384) 2.770 13.997 ( 0.028 -0.657 0.472) 0.809 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 5.064 8.784 5.525) 11.547 0.912 ( 12.324 6.202 0.207) 13.798 1.069 ( -5.728 0.951 -13.827) 14.996 1.187 ( -1.246 -2.000 0.695) 2.457 1.386 ( 2.692 -5.396 0.882) 6.094 1.434 ( 1.889 -4.284 3.131) 5.633 1.516 ( 2.716 -1.573 -3.586) 4.765 1.679 ( -5.839 -1.325 3.661) 7.018 1.739 ( -4.171 -3.739 2.765) 6.247 1.787 ( -0.815 -0.050 2.327) 2.466 1.954 ( 4.976 -1.687 2.581) 5.854 2.003 ( 3.959 -4.155 1.326) 5.890 2.078 ( -6.918 -2.106 -4.785) 8.671 2.186 ( -1.572 0.240 -2.647) 3.088 2.213 ( 4.160 2.594 5.300) 7.219 2.290 ( 0.944 -0.284 5.207) 5.300 2.393 ( -0.609 -1.550 -0.590) 1.766 2.397 ( 0.645 2.581 -2.263) 3.493 2.473 ( 1.851 3.043 -1.293) 3.789 2.511 ( 0.588 -0.745 1.056) 1.420 2.566 ( 1.688 1.277 -2.296) 3.123 2.751 ( -1.766 2.721 -0.588) 3.297 2.846 ( 4.048 -2.580 -1.276) 4.967 2.875 ( 1.950 6.308 -0.796) 6.651 2.904 ( -1.988 0.949 0.352) 2.231 3.017 ( 0.476 -1.716 -0.653) 1.897 3.040 ( -1.133 -1.665 -2.564) 3.260 3.141 ( 2.175 3.169 -0.966) 3.963 3.265 ( 3.165 2.977 -1.232) 4.516 3.368 ( 5.713 0.052 1.748) 5.974 3.512 ( 1.964 -0.893 -0.357) 2.187 3.536 ( -0.205 0.950 0.078) 0.975 3.575 ( 1.326 -0.467 1.002) 1.727 3.597 ( 0.013 -0.243 0.531) 0.584 3.669 ( 2.302 -1.746 -0.222) 2.898 3.709 ( 1.797 -0.378 0.949) 2.067 3.909 ( 0.536 -0.266 -3.355) 3.408 3.952 ( 3.000 -0.508 0.602) 3.102 4.182 ( -1.802 -0.608 0.934) 2.118 4.208 ( -1.997 -0.569 -0.061) 2.077 4.366 ( 1.740 0.127 0.283) 1.767 4.396 ( 1.850 0.118 0.585) 1.944 4.540 ( -2.302 -0.134 0.363) 2.335 4.574 ( -2.502 -0.139 -0.727) 2.609 5.159 ( -0.836 0.781 -1.702) 2.051 5.266 ( 1.049 -0.916 1.183) 1.827 6.393 ( -0.920 0.564 0.212) 1.100 6.421 ( -0.416 0.356 0.918) 1.069 8.619 ( -0.933 0.912 -1.016) 1.653 8.691 ( 0.483 -0.300 1.431) 1.540 13.284 ( -1.023 2.309 -1.709) 3.049 13.317 ( 0.807 -0.621 -3.364) 3.515 13.352 ( -0.051 -0.071 -0.729) 0.735 13.452 ( -0.694 1.017 -0.776) 1.456 13.569 ( 0.629 0.169 1.104) 1.281 13.614 ( -2.365 1.070 0.304) 2.614 13.695 ( -2.761 0.873 2.000) 3.519 13.807 ( -2.565 -0.824 2.453) 3.644 13.997 ( 0.751 -0.824 -0.121) 1.122 14.023 ( 2.242 -0.494 0.921) 2.474 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 1.761 7.604 1.219) 7.900 0.875 ( -2.638 1.315 -5.422) 6.171 1.087 ( 7.663 1.693 -0.023) 7.848 1.175 ( -2.305 -2.065 1.882) 3.622 1.365 ( -0.443 -6.201 -3.275) 7.026 1.482 ( 1.054 -1.331 -0.765) 1.862 1.521 ( 0.042 0.551 1.207) 1.327 1.646 ( -2.376 -1.149 1.836) 3.215 1.735 ( 0.691 -9.797 2.616) 10.163 1.793 ( -0.517 0.996 1.137) 1.598 1.912 ( -5.575 -2.645 -3.799) 7.247 2.036 ( 1.803 0.840 1.684) 2.606 2.095 ( 2.491 -1.488 -0.757) 2.999 2.145 ( 0.474 -3.140 0.091) 3.177 2.315 ( 1.092 2.329 4.022) 4.774 2.366 ( 2.231 1.040 1.872) 3.092 2.371 ( -1.292 0.052 1.214) 1.774 2.390 ( 0.809 3.210 -1.911) 3.822 2.491 ( 1.324 3.153 -0.206) 3.426 2.517 ( -0.791 -1.194 -0.410) 1.490 2.563 ( 0.969 1.250 -1.627) 2.269 2.719 ( -1.328 2.116 -0.229) 2.508 2.879 ( -1.085 5.194 2.008) 5.673 2.890 ( 1.115 4.133 -2.432) 4.924 2.907 ( 4.123 -2.377 -0.498) 4.785 2.971 ( -2.926 -2.471 -1.471) 4.103 3.027 ( -0.265 -3.683 0.439) 3.719 3.160 ( 0.941 3.890 -0.543) 4.039 3.293 ( 1.338 2.798 -0.514) 3.144 3.446 ( 2.157 -1.247 0.505) 2.542 3.509 ( -0.571 2.206 -1.160) 2.557 3.534 ( 0.919 -0.600 -0.076) 1.100 3.595 ( 0.019 -0.236 0.088) 0.252 3.626 ( 0.879 -0.375 1.740) 1.985 3.704 ( 1.864 -2.354 0.303) 3.018 3.727 ( -0.353 -1.627 -0.033) 1.665 3.886 ( 0.200 1.251 -1.518) 1.977 3.988 ( 0.982 -0.103 0.088) 0.991 4.170 ( -0.689 -0.564 0.723) 1.147 4.183 ( -0.788 -0.949 -0.363) 1.286 4.388 ( 0.690 0.029 0.082) 0.695 4.420 ( 0.647 -0.347 0.014) 0.734 4.517 ( -0.893 0.063 0.291) 0.941 4.541 ( -0.981 0.052 -0.208) 1.005 5.137 ( -0.297 0.942 -0.670) 1.193 5.287 ( 0.420 -1.128 0.430) 1.278 6.384 ( -0.381 0.610 0.079) 0.723 6.424 ( -0.161 0.209 0.384) 0.466 8.600 ( -0.364 0.946 -0.404) 1.091 8.708 ( 0.223 -0.581 0.519) 0.811 13.251 ( -0.773 2.107 -0.842) 2.397 13.299 ( 0.177 0.007 -1.305) 1.317 13.345 ( -0.117 0.484 -0.340) 0.603 13.433 ( -0.587 0.400 -0.501) 0.869 13.576 ( -0.067 1.059 -0.220) 1.083 13.593 ( -0.865 0.535 0.766) 1.273 13.698 ( -0.217 0.725 1.351) 1.548 13.796 ( -0.962 -0.319 0.815) 1.301 14.004 ( 0.271 -0.766 -0.068) 0.815 14.058 ( 1.014 -0.985 0.403) 1.470 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 11.630 0.000) 11.630 0.803 ( 0.000 4.344 0.000) 4.344 0.837 ( 0.000 15.933 0.000) 15.933 1.178 ( 0.000 -3.711 0.000) 3.711 1.320 ( 0.000 -2.198 0.000) 2.198 1.397 ( 0.000 -4.989 0.000) 4.989 1.577 ( 0.000 1.202 0.000) 1.202 1.600 ( 0.000 0.008 0.000) 0.008 1.746 ( 0.000 -5.413 0.000) 5.413 1.787 ( 0.000 -1.836 0.000) 1.836 1.855 ( 0.000 -5.353 0.000) 5.353 1.856 ( 0.000 -2.741 0.000) 2.741 2.067 ( 0.000 1.755 0.000) 1.755 2.096 ( 0.000 0.477 0.000) 0.477 2.243 ( 0.000 -2.435 0.000) 2.435 2.325 ( 0.000 -3.537 0.000) 3.537 2.396 ( 0.000 3.656 0.000) 3.656 2.525 ( 0.000 3.672 0.000) 3.672 2.606 ( 0.000 -0.008 0.000) 0.008 2.628 ( 0.000 0.856 0.000) 0.856 2.686 ( 0.000 6.577 0.000) 6.577 2.721 ( 0.000 -1.281 0.000) 1.281 2.727 ( 0.000 0.324 0.000) 0.324 2.815 ( 0.000 0.389 0.000) 0.389 2.856 ( 0.000 -0.735 0.000) 0.735 2.893 ( 0.000 -2.103 0.000) 2.103 3.049 ( 0.000 -1.392 0.000) 1.392 3.098 ( 0.000 -1.294 0.000) 1.294 3.218 ( 0.000 2.567 0.000) 2.567 3.226 ( 0.000 -0.028 0.000) 0.028 3.404 ( 0.000 0.192 0.000) 0.192 3.466 ( 0.000 1.103 0.000) 1.103 3.525 ( 0.000 -0.330 0.000) 0.330 3.566 ( 0.000 1.433 0.000) 1.433 3.625 ( 0.000 -0.785 0.000) 0.785 3.638 ( 0.000 -3.333 0.000) 3.333 3.803 ( 0.000 0.868 0.000) 0.868 3.832 ( 0.000 -0.551 0.000) 0.551 4.221 ( 0.000 0.805 0.000) 0.805 4.272 ( 0.000 -0.589 0.000) 0.589 4.298 ( 0.000 0.950 0.000) 0.950 4.345 ( 0.000 -0.028 0.000) 0.028 4.609 ( 0.000 0.425 0.000) 0.425 4.662 ( 0.000 -1.650 0.000) 1.650 5.202 ( 0.000 1.087 0.000) 1.087 5.262 ( 0.000 -1.515 0.000) 1.515 6.426 ( 0.000 0.566 0.000) 0.566 6.431 ( 0.000 0.283 0.000) 0.283 8.640 ( 0.000 1.559 0.000) 1.559 8.721 ( 0.000 -2.007 0.000) 2.007 13.235 ( 0.000 0.137 0.000) 0.137 13.266 ( 0.000 -1.413 0.000) 1.413 13.412 ( 0.000 1.542 0.000) 1.542 13.446 ( 0.000 0.155 0.000) 0.155 13.703 ( 0.000 2.412 0.000) 2.412 13.735 ( 0.000 1.695 0.000) 1.695 13.758 ( 0.000 0.121 0.000) 0.121 13.839 ( 0.000 -1.927 0.000) 1.927 13.931 ( 0.000 1.232 0.000) 1.232 13.966 ( 0.000 -0.969 0.000) 0.969 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 7.342 8.812 6.060) 12.972 0.865 ( 0.191 7.276 11.075) 13.253 0.891 ( 10.601 8.189 -6.129) 14.731 1.180 ( 1.383 -2.513 -2.231) 3.634 1.325 ( 0.175 -2.643 1.198) 2.907 1.406 ( 0.524 -3.175 0.321) 3.234 1.535 ( -3.517 2.988 -3.728) 5.933 1.646 ( 2.655 -1.383 0.413) 3.022 1.700 ( -0.745 -5.255 -0.424) 5.325 1.793 ( 0.809 -5.169 -6.158) 8.080 1.824 ( 1.426 -1.440 2.173) 2.971 1.868 ( -4.931 -3.256 5.167) 7.850 2.096 ( 0.084 1.278 1.853) 2.252 2.120 ( 1.986 -0.044 2.829) 3.457 2.202 ( -3.125 -0.608 0.945) 3.321 2.336 ( -0.426 -3.651 -0.938) 3.794 2.391 ( -1.670 2.417 0.520) 2.983 2.494 ( -6.373 -0.945 -1.574) 6.632 2.521 ( -0.129 3.671 -2.206) 4.285 2.593 ( -0.414 2.402 -2.979) 3.849 2.646 ( -1.900 1.685 -3.991) 4.731 2.721 ( 2.284 -1.302 -3.446) 4.334 2.780 ( 5.443 4.010 1.115) 6.852 2.864 ( 3.593 0.574 0.369) 3.657 2.902 ( 4.575 -1.211 -0.939) 4.825 2.931 ( 0.968 -1.343 2.020) 2.612 3.076 ( 3.455 -0.696 -0.661) 3.586 3.099 ( -0.463 -1.752 0.690) 1.939 3.222 ( 0.640 2.006 0.991) 2.327 3.241 ( 1.480 1.328 0.499) 2.051 3.414 ( 0.716 0.198 1.414) 1.598 3.483 ( 1.043 0.829 0.964) 1.644 3.531 ( 1.013 -0.081 -0.553) 1.157 3.585 ( 2.040 1.172 0.846) 2.500 3.625 ( -0.192 -1.228 0.898) 1.533 3.636 ( 0.290 -2.185 -1.355) 2.587 3.817 ( 1.920 0.573 0.139) 2.008 3.862 ( 2.934 -1.605 -0.391) 3.367 4.219 ( -0.332 0.894 -0.155) 0.966 4.264 ( -1.235 -0.327 0.079) 1.280 4.307 ( 1.406 0.512 -0.166) 1.505 4.348 ( 0.500 -0.156 -0.025) 0.525 4.599 ( -1.314 0.381 0.264) 1.393 4.648 ( -1.630 -1.467 -0.187) 2.201 5.205 ( 0.174 0.674 0.349) 0.778 5.246 ( -0.970 -0.878 -1.198) 1.774 6.424 ( -0.506 0.546 0.419) 0.854 6.430 ( -0.293 0.336 0.330) 0.555 8.647 ( 0.306 1.178 0.778) 1.444 8.703 ( -1.444 -1.044 -0.659) 1.900 13.256 ( 2.010 0.025 0.594) 2.096 13.281 ( 2.190 -1.446 -0.896) 2.773 13.415 ( 0.252 1.861 -0.269) 1.897 13.458 ( 1.547 -0.068 -0.416) 1.603 13.655 ( -3.348 2.740 -1.633) 4.624 13.720 ( -1.793 1.859 0.053) 2.583 13.772 ( -1.091 -1.280 2.082) 2.677 13.809 ( -2.835 -1.682 -0.252) 3.306 13.943 ( 0.916 1.085 0.607) 1.544 13.973 ( 0.223 -0.665 0.679) 0.976 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 5.931 8.493 6.585) 12.275 0.967 ( 7.203 11.010 -2.506) 13.393 1.065 ( 7.700 -5.725 6.987) 11.870 1.170 ( 0.093 -1.650 -2.019) 2.609 1.315 ( -1.104 -1.968 -5.002) 5.488 1.375 ( -6.801 0.450 -2.921) 7.416 1.447 ( 3.339 0.097 -2.119) 3.956 1.638 ( -3.306 -5.583 0.874) 6.547 1.725 ( -3.937 -4.270 -0.428) 5.824 1.757 ( 7.608 -4.492 -3.679) 9.571 1.868 ( -0.925 1.162 3.546) 3.845 1.893 ( 0.804 0.550 7.182) 7.248 2.115 ( 1.551 1.690 0.102) 2.296 2.162 ( -2.686 -0.183 3.805) 4.661 2.203 ( 1.009 -0.675 3.374) 3.585 2.295 ( -4.584 -2.915 -1.153) 5.554 2.323 ( -2.591 0.367 -1.889) 3.227 2.417 ( -1.347 -2.576 1.057) 3.094 2.534 ( 3.146 4.282 -1.899) 5.643 2.566 ( -0.394 4.065 -1.159) 4.245 2.600 ( 1.547 1.975 -3.821) 4.571 2.733 ( 4.200 -3.289 -4.042) 6.693 2.856 ( 1.185 2.731 -0.140) 2.980 2.899 ( 2.024 0.210 -2.118) 2.937 2.940 ( 0.523 1.598 2.492) 3.006 2.967 ( 4.130 -1.784 -2.790) 5.293 3.072 ( -0.735 -0.454 -1.331) 1.587 3.149 ( 4.851 1.154 -1.187) 5.126 3.267 ( 1.854 -0.131 2.072) 2.784 3.278 ( 2.829 1.647 0.643) 3.336 3.462 ( 2.053 0.343 2.848) 3.527 3.509 ( 0.784 -0.036 1.290) 1.511 3.548 ( 1.449 0.025 -0.057) 1.450 3.613 ( -0.091 -0.143 -1.744) 1.752 3.634 ( 0.657 -0.023 -0.006) 0.657 3.646 ( 3.066 -0.567 0.847) 3.231 3.868 ( 3.544 -0.483 0.936) 3.697 3.893 ( 2.199 -1.639 -1.608) 3.180 4.204 ( -1.379 0.713 -0.168) 1.561 4.235 ( -2.148 -0.339 -0.281) 2.193 4.336 ( 2.165 0.234 -0.073) 2.179 4.363 ( 1.429 -0.422 0.085) 1.492 4.574 ( -2.246 0.338 0.461) 2.317 4.610 ( -2.541 -0.998 -0.261) 2.743 5.205 ( -0.628 0.361 -1.025) 1.255 5.225 ( 0.092 -0.547 0.249) 0.608 6.418 ( -0.801 0.625 0.414) 1.097 6.429 ( -0.558 0.304 0.667) 0.922 8.659 ( -0.062 0.596 0.195) 0.631 8.675 ( -0.930 -0.020 0.034) 0.930 13.298 ( 2.597 -0.400 -0.920) 2.784 13.309 ( 2.402 -0.552 -0.480) 2.511 13.403 ( -0.863 2.462 -1.538) 3.029 13.473 ( 0.843 -0.344 -1.098) 1.426 13.593 ( -2.650 2.288 0.118) 3.503 13.681 ( -3.041 0.512 -0.447) 3.116 13.740 ( -3.138 -0.522 0.901) 3.306 13.790 ( -2.124 -1.222 3.069) 3.927 13.967 ( 1.459 0.397 0.142) 1.519 13.985 ( 0.469 -0.335 0.794) 0.981 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 4.975 8.351 4.735) 10.813 1.045 ( 3.479 5.040 -0.097) 6.125 1.082 ( -4.980 -0.057 -9.683) 10.889 1.151 ( -0.482 -1.012 -1.648) 1.993 1.276 ( -0.079 -3.832 -2.499) 4.576 1.298 ( 4.044 -7.817 0.806) 8.838 1.475 ( 1.568 -1.695 -2.210) 3.196 1.593 ( -3.128 -4.946 2.875) 6.520 1.675 ( -2.119 1.185 0.939) 2.603 1.845 ( 2.832 0.212 -0.796) 2.950 1.902 ( 3.580 -2.036 3.414) 5.350 1.980 ( 0.847 0.299 5.576) 5.648 2.054 ( -6.429 1.391 -2.106) 6.906 2.190 ( -2.364 -0.766 -1.519) 2.912 2.234 ( 2.279 0.208 4.053) 4.655 2.267 ( -0.024 -1.306 6.458) 6.589 2.323 ( 2.053 -1.027 -0.090) 2.297 2.425 ( 0.879 -2.771 -0.598) 2.968 2.559 ( -0.089 4.784 1.067) 4.902 2.563 ( 3.339 4.539 -2.229) 6.060 2.605 ( 2.106 2.097 -2.251) 3.728 2.766 ( 3.222 -4.073 -2.792) 5.896 2.825 ( -0.039 2.817 -2.703) 3.905 2.899 ( 0.734 -1.023 -1.285) 1.799 2.966 ( -0.786 0.182 0.534) 0.968 2.981 ( 0.029 -1.628 -1.712) 2.363 3.065 ( 1.796 5.188 -0.901) 5.564 3.201 ( 2.811 2.360 -0.426) 3.695 3.301 ( 2.767 -0.569 -1.954) 3.435 3.343 ( 2.220 -2.176 2.070) 3.735 3.513 ( 1.987 1.126 0.207) 2.293 3.539 ( 0.418 -0.615 1.657) 1.816 3.575 ( 1.034 0.314 1.714) 2.026 3.597 ( 0.767 0.133 -1.377) 1.582 3.647 ( 1.321 0.048 -0.381) 1.376 3.691 ( 1.313 -1.211 0.086) 1.788 3.906 ( 1.740 0.154 -1.274) 2.162 3.936 ( 3.205 -0.928 0.929) 3.463 4.175 ( -1.837 0.073 -0.018) 1.839 4.196 ( -2.008 -0.538 -0.561) 2.153 4.368 ( 1.705 0.117 0.032) 1.709 4.390 ( 1.571 -0.703 -0.007) 1.721 4.543 ( -2.148 0.404 0.514) 2.245 4.568 ( -2.299 -0.481 -0.177) 2.355 5.180 ( -0.623 1.164 -1.096) 1.716 5.240 ( 0.594 -1.443 0.715) 1.717 6.409 ( -0.784 0.785 0.244) 1.136 6.427 ( -0.540 0.103 0.660) 0.859 8.642 ( -0.791 1.143 -0.712) 1.562 8.682 ( 0.187 -0.629 0.795) 1.031 13.310 ( 1.513 0.260 -2.268) 2.739 13.338 ( 1.019 0.578 -0.314) 1.213 13.357 ( -1.802 2.141 -1.904) 3.385 13.457 ( -0.911 -0.719 -1.552) 1.938 13.581 ( -0.364 0.988 1.448) 1.790 13.626 ( -2.724 -0.236 0.173) 2.739 13.723 ( -1.282 1.702 2.003) 2.924 13.788 ( -1.673 -0.975 2.353) 3.047 13.985 ( 0.812 -0.141 -0.247) 0.861 14.009 ( 1.286 -0.769 0.703) 1.655 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -3.387 3.212 -5.378) 7.121 1.001 ( 2.648 8.091 1.996) 8.744 1.100 ( 1.606 -0.941 1.017) 2.121 1.128 ( -1.354 -1.601 0.428) 2.141 1.207 ( -0.709 -7.702 -4.790) 9.097 1.388 ( 2.846 -10.102 0.279) 10.499 1.470 ( 0.167 -0.187 -0.013) 0.251 1.579 ( -2.576 -4.045 1.769) 5.112 1.709 ( 3.940 6.650 2.017) 7.988 1.845 ( -0.682 1.789 0.347) 1.946 1.895 ( -5.921 0.522 -3.146) 6.725 2.025 ( 4.320 -4.582 1.518) 6.478 2.060 ( 1.815 1.596 3.642) 4.371 2.130 ( -2.525 0.145 -2.411) 3.494 2.282 ( 0.258 -0.889 1.112) 1.446 2.337 ( -0.168 -1.565 6.043) 6.245 2.361 ( 0.778 -0.887 1.516) 1.921 2.413 ( 0.557 -3.052 -4.122) 5.159 2.582 ( 1.048 4.363 0.283) 4.496 2.598 ( 1.741 5.281 -0.388) 5.574 2.612 ( 1.013 3.373 0.815) 3.615 2.730 ( -1.331 -1.172 -2.813) 3.326 2.864 ( 4.860 -0.712 -1.119) 5.037 2.897 ( 0.044 -0.128 -0.051) 0.145 2.928 ( -3.127 -1.488 -0.378) 3.484 2.962 ( -0.688 -1.703 -0.359) 1.872 3.080 ( 0.784 8.222 -0.708) 8.290 3.228 ( 0.589 2.604 0.231) 2.680 3.318 ( 1.418 -0.670 -1.105) 1.919 3.377 ( 0.466 -4.938 0.500) 4.985 3.539 ( 1.141 0.864 -0.094) 1.435 3.548 ( 0.116 0.655 -0.120) 0.676 3.597 ( 0.464 0.286 0.090) 0.552 3.617 ( 0.559 -0.581 1.478) 1.684 3.666 ( 1.162 -0.386 -0.093) 1.228 3.691 ( -0.402 -1.421 -0.729) 1.647 3.920 ( 0.831 1.800 -0.296) 2.005 3.980 ( 1.212 -0.684 0.360) 1.438 4.155 ( -0.739 -0.632 0.427) 1.062 4.164 ( -0.947 -0.776 -0.719) 1.420 4.388 ( 0.647 0.016 0.059) 0.650 4.407 ( 0.551 -0.794 -0.089) 0.971 4.523 ( -0.787 0.427 0.251) 0.930 4.540 ( -0.961 -0.179 -0.039) 0.979 5.165 ( -0.198 1.728 -0.388) 1.782 5.253 ( 0.285 -1.957 0.299) 2.000 6.401 ( -0.336 0.887 0.076) 0.951 6.426 ( -0.222 -0.084 0.270) 0.359 8.627 ( -0.294 1.513 -0.288) 1.568 8.690 ( 0.080 -1.138 0.277) 1.174 13.306 ( 0.665 1.205 -1.398) 1.962 13.312 ( -1.245 2.895 -0.404) 3.178 13.349 ( 0.249 -0.296 -0.299) 0.489 13.426 ( -0.815 -1.205 -0.783) 1.652 13.595 ( 0.435 0.566 0.478) 0.859 13.604 ( -1.078 0.462 0.699) 1.366 13.728 ( -0.261 1.900 0.863) 2.103 13.787 ( -0.625 -0.567 0.853) 1.200 13.991 ( 0.291 -0.172 -0.115) 0.357 14.031 ( 0.656 -1.468 0.257) 1.628 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.000 -10.312 0.000) 10.312 0.699 ( 0.000 10.312 0.000) 10.312 1.086 ( 0.000 -6.721 0.000) 6.721 1.086 ( 0.000 6.721 0.000) 6.721 1.327 ( 0.000 -1.224 0.000) 1.224 1.327 ( 0.000 1.224 0.000) 1.224 1.618 ( 0.000 -1.902 0.000) 1.902 1.618 ( 0.000 1.902 0.000) 1.902 1.701 ( 0.000 -6.087 0.000) 6.087 1.701 ( 0.000 6.087 0.000) 6.087 1.807 ( 0.000 -1.633 0.000) 1.633 1.807 ( 0.000 1.633 0.000) 1.633 2.097 ( 0.000 -0.341 0.000) 0.341 2.097 ( 0.000 0.341 0.000) 0.341 2.232 ( 0.000 -2.642 0.000) 2.642 2.232 ( 0.000 2.642 0.000) 2.642 2.517 ( 0.000 -4.584 0.000) 4.584 2.517 ( 0.000 4.584 0.000) 4.584 2.625 ( 0.000 -1.353 0.000) 1.353 2.625 ( 0.000 1.353 0.000) 1.353 2.712 ( 0.000 -1.046 0.000) 1.046 2.712 ( 0.000 1.046 0.000) 1.046 2.810 ( 0.000 -3.091 0.000) 3.091 2.810 ( 0.000 3.091 0.000) 3.091 2.854 ( 0.000 -1.168 0.000) 1.168 2.854 ( 0.000 1.168 0.000) 1.168 3.041 ( 0.000 -1.943 0.000) 1.943 3.041 ( 0.000 1.943 0.000) 1.943 3.239 ( 0.000 -0.333 0.000) 0.333 3.239 ( 0.000 0.333 0.000) 0.333 3.440 ( 0.000 -2.421 0.000) 2.421 3.440 ( 0.000 2.421 0.000) 2.421 3.558 ( 0.000 -2.513 0.000) 2.513 3.558 ( 0.000 2.513 0.000) 2.513 3.606 ( 0.000 -0.870 0.000) 0.870 3.606 ( 0.000 0.870 0.000) 0.870 3.819 ( 0.000 -0.665 0.000) 0.665 3.819 ( 0.000 0.665 0.000) 0.665 4.248 ( 0.000 -1.438 0.000) 1.438 4.248 ( 0.000 1.438 0.000) 1.438 4.327 ( 0.000 -1.400 0.000) 1.400 4.327 ( 0.000 1.400 0.000) 1.400 4.628 ( 0.000 -1.364 0.000) 1.364 4.628 ( 0.000 1.364 0.000) 1.364 5.229 ( 0.000 -1.464 0.000) 1.464 5.229 ( 0.000 1.464 0.000) 1.464 6.433 ( 0.000 -0.100 0.000) 0.100 6.433 ( 0.000 0.100 0.000) 0.100 8.678 ( 0.000 -1.966 0.000) 1.966 8.678 ( 0.000 1.966 0.000) 1.966 13.244 ( 0.000 -0.696 0.000) 0.696 13.244 ( 0.000 0.696 0.000) 0.696 13.438 ( 0.000 -0.823 0.000) 0.823 13.438 ( 0.000 0.823 0.000) 0.823 13.749 ( 0.000 -1.204 0.000) 1.204 13.749 ( 0.000 1.204 0.000) 1.204 13.779 ( 0.000 -2.915 0.000) 2.915 13.779 ( 0.000 2.915 0.000) 2.915 13.953 ( 0.000 -0.715 0.000) 0.715 13.953 ( 0.000 0.715 0.000) 0.715 ======================= Grid point 29 (17/92) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 4.696 -8.608 4.567) 10.817 0.766 ( 4.696 8.608 4.567) 10.817 1.104 ( 1.786 -5.669 0.031) 5.944 1.104 ( 1.786 5.669 0.031) 5.944 1.343 ( 2.379 -3.107 -1.403) 4.157 1.343 ( 2.379 3.107 -1.403) 4.157 1.596 ( 0.008 -2.303 -4.939) 5.449 1.596 ( 0.008 2.303 -4.939) 5.449 1.697 ( -2.077 -4.190 -0.502) 4.704 1.697 ( -2.077 4.190 -0.502) 4.704 1.806 ( 0.027 -1.002 5.039) 5.137 1.806 ( 0.027 1.002 5.039) 5.137 2.116 ( -0.321 -0.544 3.230) 3.291 2.116 ( -0.321 0.544 3.230) 3.291 2.236 ( -0.378 -4.107 0.913) 4.224 2.236 ( -0.378 4.107 0.913) 4.224 2.459 ( -5.740 -2.416 -2.150) 6.588 2.459 ( -5.740 2.416 -2.150) 6.588 2.595 ( 2.087 -2.663 -4.009) 5.246 2.595 ( 2.087 2.663 -4.009) 5.246 2.684 ( -0.441 -2.102 -2.960) 3.657 2.684 ( -0.441 2.102 -2.960) 3.657 2.854 ( 4.039 -2.701 0.568) 4.892 2.854 ( 4.039 2.701 0.568) 4.892 2.907 ( 2.889 -1.913 0.383) 3.485 2.907 ( 2.889 1.913 0.383) 3.485 3.056 ( 1.772 -0.852 1.065) 2.236 3.056 ( 1.772 0.852 1.065) 2.236 3.252 ( 1.331 -0.455 0.430) 1.471 3.252 ( 1.331 0.455 0.430) 1.471 3.451 ( 0.316 -2.593 1.470) 2.997 3.451 ( 0.316 2.593 1.470) 2.997 3.568 ( 1.125 -2.497 -0.253) 2.751 3.568 ( 1.125 2.497 -0.253) 2.751 3.613 ( 0.844 -1.039 0.509) 1.432 3.613 ( 0.844 1.039 0.509) 1.432 3.834 ( 1.939 -1.056 -0.389) 2.242 3.834 ( 1.939 1.056 -0.389) 2.242 4.245 ( -0.543 -1.318 -0.059) 1.427 4.245 ( -0.543 1.318 -0.059) 1.427 4.329 ( 0.767 -1.282 -0.397) 1.546 4.329 ( 0.767 1.282 -0.397) 1.546 4.617 ( -1.437 -1.234 0.143) 1.900 4.617 ( -1.437 1.234 0.143) 1.900 5.224 ( -0.364 -1.026 -0.389) 1.156 5.224 ( -0.364 1.026 -0.389) 1.156 6.433 ( -0.374 -0.165 0.366) 0.549 6.433 ( -0.374 0.165 0.366) 0.549 8.675 ( -0.336 -1.415 0.089) 1.457 8.675 ( -0.336 1.415 0.089) 1.457 13.261 ( 1.929 -0.531 0.074) 2.003 13.261 ( 1.929 0.531 0.074) 2.003 13.446 ( 1.010 -1.053 -0.307) 1.491 13.446 ( 1.010 1.053 -0.307) 1.491 13.715 ( -3.022 -2.548 -1.222) 4.137 13.715 ( -3.022 2.548 -1.222) 4.137 13.770 ( -1.521 -1.489 0.957) 2.333 13.770 ( -1.521 1.489 0.957) 2.333 13.963 ( 0.479 -0.595 0.722) 1.051 13.963 ( 0.479 0.595 0.722) 1.051 ======================= Grid point 31 (18/92) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 6.650 -7.411 5.059) 11.168 0.916 ( 6.650 7.411 5.059) 11.168 1.124 ( -0.074 -3.206 0.327) 3.223 1.124 ( -0.074 3.206 0.327) 3.223 1.339 ( 0.396 -3.885 -6.390) 7.488 1.339 ( 0.396 3.885 -6.390) 7.488 1.512 ( -2.459 -5.522 -3.131) 6.808 1.512 ( -2.459 5.522 -3.131) 6.808 1.686 ( 2.211 -1.189 -0.108) 2.513 1.686 ( 2.211 1.189 -0.108) 2.513 1.892 ( 0.801 -0.488 6.863) 6.927 1.892 ( 0.801 0.488 6.863) 6.927 2.153 ( 0.510 -1.169 2.899) 3.167 2.153 ( 0.510 1.169 2.899) 3.167 2.222 ( -2.768 -2.766 0.940) 4.024 2.222 ( -2.768 2.766 0.940) 4.024 2.359 ( -3.048 -2.309 -0.421) 3.847 2.359 ( -3.048 2.309 -0.421) 3.847 2.608 ( 3.280 -1.025 -2.867) 4.475 2.608 ( 3.280 1.025 -2.867) 4.475 2.656 ( 1.675 -3.702 -3.515) 5.373 2.656 ( 1.675 3.702 -3.515) 5.373 2.889 ( 0.265 -1.586 -1.805) 2.417 2.889 ( 0.265 1.586 -1.805) 2.417 2.947 ( 2.927 -0.625 -0.283) 3.006 2.947 ( 2.927 0.625 -0.282) 3.006 3.114 ( 4.199 -3.560 -0.035) 5.505 3.114 ( 4.199 3.560 -0.035) 5.505 3.282 ( 1.204 -1.094 0.848) 1.835 3.282 ( 1.204 1.094 0.848) 1.835 3.484 ( 1.043 -1.403 2.765) 3.272 3.484 ( 1.043 1.403 2.765) 3.272 3.580 ( 1.182 -1.916 -1.060) 2.489 3.580 ( 1.182 1.916 -1.060) 2.489 3.643 ( 1.694 -0.278 0.427) 1.769 3.643 ( 1.694 0.278 0.427) 1.769 3.868 ( 2.794 -0.580 -0.241) 2.863 3.868 ( 2.794 0.580 -0.241) 2.863 4.223 ( -1.804 -0.860 -0.502) 2.060 4.223 ( -1.804 0.860 -0.502) 2.060 4.347 ( 1.834 -0.812 -0.272) 2.024 4.347 ( 1.834 0.812 -0.272) 2.024 4.589 ( -2.304 -0.946 0.269) 2.505 4.589 ( -2.304 0.946 0.269) 2.505 5.213 ( -0.313 -0.500 -0.365) 0.694 5.213 ( -0.313 0.500 -0.365) 0.694 6.429 ( -0.655 -0.293 0.509) 0.880 6.429 ( -0.655 0.293 0.509) 0.880 8.670 ( -0.403 -0.407 0.075) 0.578 8.670 ( -0.403 0.407 0.075) 0.578 13.298 ( 2.544 -0.389 -0.393) 2.604 13.298 ( 2.544 0.389 -0.393) 2.604 13.451 ( 0.184 -1.738 -1.278) 2.166 13.451 ( 0.184 1.738 -1.278) 2.166 13.647 ( -3.600 -2.629 -0.607) 4.499 13.647 ( -3.600 2.629 -0.607) 4.499 13.759 ( -1.689 -1.583 2.068) 3.104 13.759 ( -1.689 1.583 2.068) 3.104 13.978 ( 0.613 -0.454 0.504) 0.914 13.978 ( 0.613 0.454 0.504) 0.914 ======================= Grid point 33 (19/92) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 3.869 -4.558 -0.040) 5.979 1.044 ( 3.869 4.558 -0.040) 5.979 1.111 ( -3.166 -2.491 3.440) 5.298 1.111 ( -3.166 2.491 3.440) 5.298 1.220 ( -0.595 -1.907 -10.198) 10.392 1.220 ( -0.595 1.907 -10.198) 10.392 1.493 ( -0.296 -3.611 1.301) 3.850 1.493 ( -0.296 3.611 1.301) 3.850 1.757 ( 5.657 -5.257 0.602) 7.746 1.757 ( 5.657 5.257 0.602) 7.746 1.942 ( -2.204 -2.858 4.230) 5.560 1.942 ( -2.204 2.858 4.230) 5.560 2.130 ( -3.434 -4.158 0.197) 5.396 2.130 ( -3.434 4.158 0.197) 5.396 2.246 ( 0.818 -0.871 4.753) 4.901 2.246 ( 0.818 0.871 4.753) 4.901 2.354 ( 1.560 -3.111 -0.597) 3.531 2.354 ( 1.560 3.111 -0.597) 3.531 2.624 ( 1.064 -0.884 -0.207) 1.399 2.624 ( 1.064 0.884 -0.207) 1.399 2.668 ( 3.609 -4.835 -3.072) 6.771 2.668 ( 3.609 4.835 -3.072) 6.771 2.869 ( 1.054 -1.590 -2.696) 3.303 2.869 ( 1.054 1.590 -2.696) 3.303 2.960 ( -0.903 -0.303 -0.349) 1.014 2.960 ( -0.903 0.303 -0.349) 1.014 3.184 ( 4.801 -4.822 -0.712) 6.842 3.184 ( 4.801 4.822 -0.712) 6.842 3.297 ( -0.199 -2.176 0.321) 2.208 3.297 ( -0.199 2.176 0.321) 2.208 3.531 ( 1.331 -0.299 1.507) 2.032 3.531 ( 1.331 0.299 1.507) 2.032 3.588 ( 0.949 -0.770 -0.170) 1.234 3.588 ( 0.949 0.770 -0.170) 1.234 3.664 ( 1.111 -1.190 -0.515) 1.707 3.664 ( 1.111 1.190 -0.515) 1.707 3.917 ( 2.855 -0.797 0.482) 3.003 3.917 ( 2.855 0.797 0.482) 3.003 4.184 ( -2.080 -0.592 -0.698) 2.273 4.184 ( -2.080 0.592 -0.698) 2.273 4.374 ( 1.642 -0.557 -0.109) 1.737 4.374 ( 1.642 0.557 -0.109) 1.737 4.555 ( -2.110 -0.665 0.280) 2.230 4.555 ( -2.110 0.665 0.280) 2.230 5.208 ( -0.049 -1.452 -0.123) 1.458 5.208 ( -0.049 1.452 -0.123) 1.458 6.423 ( -0.659 -0.480 0.401) 0.908 6.423 ( -0.659 0.480 0.401) 0.908 8.665 ( -0.305 -0.960 -0.020) 1.008 8.665 ( -0.305 0.960 -0.020) 1.008 13.324 ( 1.625 -0.932 -1.042) 2.143 13.324 ( 1.625 0.932 -1.042) 2.143 13.420 ( -1.607 -2.630 -1.879) 3.610 13.420 ( -1.607 2.630 -1.879) 3.610 13.607 ( -1.589 -1.286 0.965) 2.260 13.607 ( -1.589 1.286 0.965) 2.260 13.761 ( -0.998 -1.634 2.041) 2.798 13.761 ( -0.998 1.634 2.041) 2.798 13.992 ( 0.692 -0.694 0.155) 0.992 13.992 ( 0.692 0.694 0.155) 0.992 ======================= Grid point 35 (20/92) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -2.284 -6.379 -2.394) 7.186 1.006 ( -2.284 6.379 -2.394) 7.186 1.100 ( -0.323 -1.653 -0.782) 1.857 1.100 ( -0.323 1.653 -0.782) 1.857 1.199 ( 2.047 -7.376 -0.478) 7.670 1.199 ( 2.047 7.376 -0.478) 7.670 1.502 ( -0.354 -2.901 0.980) 3.083 1.502 ( -0.354 2.901 0.980) 3.083 1.843 ( 3.757 -3.872 -0.194) 5.399 1.843 ( 3.757 3.872 -0.194) 5.399 1.926 ( -2.465 -3.544 1.357) 4.525 1.926 ( -2.465 3.544 1.357) 4.525 2.105 ( -0.531 -2.361 0.481) 2.467 2.105 ( -0.531 2.361 0.481) 2.467 2.301 ( -0.374 -1.824 4.631) 4.991 2.301 ( -0.374 1.824 4.631) 4.991 2.358 ( 0.940 -1.254 -2.811) 3.218 2.358 ( 0.940 1.254 -2.811) 3.218 2.647 ( 0.444 -1.355 1.911) 2.385 2.647 ( 0.444 1.355 1.911) 2.385 2.681 ( 1.543 -2.631 -2.626) 4.025 2.681 ( 1.543 2.631 -2.626) 4.025 2.874 ( 2.156 -1.369 -1.600) 3.013 2.874 ( 2.156 1.369 -1.600) 3.013 2.930 ( -2.046 -1.345 0.209) 2.457 2.930 ( -2.046 1.345 0.209) 2.457 3.237 ( 2.435 -6.248 -0.526) 6.726 3.237 ( 2.435 6.248 -0.526) 6.726 3.288 ( -0.967 -2.655 0.181) 2.832 3.288 ( -0.967 2.655 0.181) 2.832 3.549 ( 0.585 -0.132 -0.395) 0.718 3.549 ( 0.585 0.132 -0.395) 0.718 3.605 ( 0.289 -0.466 0.671) 0.867 3.605 ( 0.289 0.466 0.671) 0.867 3.673 ( 0.557 -0.494 -0.211) 0.773 3.673 ( 0.557 0.494 -0.211) 0.773 3.957 ( 1.247 -1.480 0.354) 1.967 3.957 ( 1.247 1.480 0.354) 1.967 4.151 ( -0.995 -0.328 -0.376) 1.113 4.151 ( -0.995 0.328 -0.376) 1.113 4.392 ( 0.613 -0.456 -0.017) 0.764 4.392 ( 0.613 0.456 -0.017) 0.764 4.533 ( -0.848 -0.444 0.116) 0.964 4.533 ( -0.848 0.444 0.116) 0.964 5.208 ( 0.039 -2.165 -0.001) 2.166 5.208 ( 0.039 2.165 -0.001) 2.166 6.418 ( -0.282 -0.639 0.147) 0.713 6.418 ( -0.282 0.639 0.147) 0.713 8.661 ( -0.118 -1.534 -0.033) 1.539 8.661 ( -0.118 1.534 -0.033) 1.539 13.330 ( 0.454 -1.152 -0.610) 1.380 13.330 ( 0.454 1.152 -0.610) 1.380 13.381 ( -0.985 -2.892 -0.799) 3.158 13.381 ( -0.985 2.892 -0.799) 3.158 13.605 ( -0.267 -0.343 0.688) 0.813 13.605 ( -0.267 0.343 0.688) 0.813 13.766 ( -0.319 -1.445 0.794) 1.679 13.766 ( -0.319 1.445 0.794) 1.679 14.002 ( 0.342 -1.089 0.021) 1.142 14.002 ( 0.342 1.089 0.021) 1.142 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( -6.469 0.000 18.096) 19.217 0.403 ( -3.680 0.000 20.225) 20.557 0.641 ( -0.986 0.000 31.343) 31.358 1.202 ( 2.927 0.000 -8.569) 9.055 1.384 ( 1.058 0.000 -10.865) 10.917 1.553 ( -4.708 0.000 -0.968) 4.806 1.591 ( 2.878 0.000 -1.343) 3.176 1.727 ( -3.333 0.000 -5.025) 6.030 1.789 ( -0.306 0.000 3.012) 3.027 1.877 ( -2.617 0.000 3.069) 4.034 1.902 ( 2.356 0.000 1.397) 2.739 1.959 ( 0.214 0.000 -2.617) 2.625 2.099 ( -1.215 0.000 3.744) 3.936 2.100 ( 2.983 0.000 4.663) 5.535 2.206 ( 6.444 0.000 -11.133) 12.863 2.284 ( -0.179 0.000 4.964) 4.967 2.374 ( 2.351 0.000 -4.746) 5.296 2.460 ( -0.965 0.000 2.065) 2.279 2.520 ( 3.099 0.000 -4.224) 5.239 2.541 ( -1.352 0.000 -0.731) 1.537 2.664 ( -3.088 0.000 3.031) 4.327 2.669 ( 6.709 0.000 -0.875) 6.766 2.679 ( -3.360 0.000 0.006) 3.360 2.832 ( -4.833 0.000 -1.834) 5.169 2.858 ( 0.225 0.000 -1.500) 1.517 2.870 ( 0.232 0.000 -2.394) 2.406 3.047 ( 2.103 0.000 6.017) 6.374 3.129 ( 1.242 0.000 0.560) 1.362 3.194 ( -0.902 0.000 -1.730) 1.951 3.280 ( -7.961 0.000 -2.772) 8.430 3.417 ( 0.506 0.000 3.434) 3.471 3.457 ( -1.867 0.000 0.490) 1.930 3.511 ( 1.283 0.000 -0.554) 1.397 3.546 ( 1.063 0.000 -1.567) 1.894 3.640 ( -0.977 0.000 -1.915) 2.150 3.686 ( 0.971 0.000 -3.878) 3.997 3.783 ( 1.636 0.000 2.061) 2.631 3.851 ( 2.141 0.000 -0.124) 2.144 4.247 ( 0.772 0.000 1.078) 1.325 4.288 ( -0.515 0.000 0.868) 1.009 4.320 ( -1.511 0.000 2.326) 2.774 4.388 ( -2.269 0.000 -0.492) 2.322 4.619 ( 0.202 0.000 0.621) 0.653 4.695 ( -0.343 0.000 -1.006) 1.063 5.193 ( 1.505 0.000 0.494) 1.584 5.223 ( -1.230 0.000 -0.223) 1.250 6.414 ( 0.194 0.000 0.758) 0.783 6.427 ( -0.305 0.000 0.488) 0.576 8.662 ( -0.858 0.000 0.004) 0.858 8.672 ( 1.556 0.000 -0.212) 1.570 13.231 ( 0.566 0.000 0.708) 0.906 13.320 ( -2.921 0.000 -1.891) 3.480 13.381 ( -3.987 0.000 1.066) 4.127 13.402 ( 1.101 0.000 0.039) 1.102 13.573 ( -1.209 0.000 1.118) 1.646 13.653 ( 1.522 0.000 -0.619) 1.643 13.845 ( -1.664 0.000 -0.005) 1.664 13.884 ( 1.989 0.000 -1.465) 2.470 13.987 ( -0.249 0.000 1.167) 1.193 14.024 ( 0.361 0.000 -0.118) 0.380 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -1.723 0.000 15.593) 15.688 0.512 ( -2.796 0.000 18.680) 18.888 1.084 ( 12.711 0.000 16.585) 20.896 1.186 ( 5.364 0.000 -1.197) 5.496 1.238 ( -3.088 0.000 -14.571) 14.895 1.468 ( -4.270 0.000 -0.732) 4.332 1.610 ( -0.117 0.000 -2.949) 2.951 1.671 ( 1.351 0.000 0.964) 1.659 1.808 ( 2.423 0.000 -3.312) 4.104 1.870 ( -4.696 0.000 7.083) 8.498 1.929 ( 4.261 0.000 -3.661) 5.618 1.935 ( -1.100 0.000 1.566) 1.914 2.108 ( 1.418 0.000 -2.567) 2.932 2.201 ( 2.789 0.000 2.149) 3.521 2.217 ( 5.947 0.000 -7.315) 9.427 2.297 ( -4.137 0.000 3.331) 5.311 2.344 ( -0.018 0.000 -3.700) 3.700 2.416 ( -2.939 0.000 -3.457) 4.537 2.499 ( -2.190 0.000 0.293) 2.210 2.543 ( -0.796 0.000 2.339) 2.471 2.569 ( -4.967 0.000 -2.299) 5.473 2.680 ( 1.516 0.000 3.602) 3.908 2.734 ( 3.382 0.000 -4.510) 5.637 2.827 ( 1.909 0.000 0.626) 2.009 2.887 ( 6.660 0.000 -1.074) 6.746 2.907 ( 4.682 0.000 -1.220) 4.838 3.121 ( -8.647 0.000 0.600) 8.668 3.121 ( 0.596 0.000 3.289) 3.342 3.149 ( -1.390 0.000 -2.518) 2.876 3.173 ( 3.139 0.000 1.328) 3.408 3.452 ( 1.198 0.000 0.210) 1.217 3.476 ( 1.807 0.000 3.948) 4.342 3.553 ( 2.362 0.000 1.756) 2.943 3.573 ( 3.612 0.000 -0.747) 3.688 3.598 ( -0.800 0.000 -3.191) 3.289 3.657 ( 1.334 0.000 -4.244) 4.449 3.845 ( 3.228 0.000 1.573) 3.591 3.881 ( 2.545 0.000 -3.285) 4.156 4.262 ( -0.942 0.000 1.654) 1.903 4.278 ( -1.439 0.000 0.099) 1.442 4.327 ( -0.442 0.000 2.020) 2.067 4.360 ( -1.253 0.000 1.852) 2.236 4.616 ( -1.628 0.000 1.104) 1.967 4.661 ( -2.044 0.000 -1.559) 2.570 5.192 ( -1.656 0.000 -1.025) 1.948 5.227 ( 1.591 0.000 1.165) 1.972 6.421 ( -0.897 0.000 0.322) 0.953 6.424 ( -0.087 0.000 0.944) 0.948 8.643 ( -1.208 0.000 -0.465) 1.294 8.681 ( 0.164 0.000 0.827) 0.843 13.257 ( 1.040 0.000 1.069) 1.492 13.289 ( 1.066 0.000 -2.896) 3.086 13.366 ( -0.568 0.000 0.285) 0.635 13.431 ( 1.640 0.000 0.461) 1.704 13.555 ( -1.836 0.000 1.050) 2.115 13.659 ( -0.319 0.000 -0.174) 0.364 13.805 ( -2.935 0.000 -0.391) 2.961 13.909 ( 2.245 0.000 -0.916) 2.425 13.961 ( -3.292 0.000 2.305) 4.018 14.018 ( -0.784 0.000 -0.024) 0.785 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.400 0.000 12.278) 12.284 0.714 ( 5.743 0.000 13.496) 14.667 0.998 ( -4.570 0.000 -16.869) 17.477 1.166 ( 5.864 0.000 -6.192) 8.528 1.398 ( -1.282 0.000 -2.540) 2.846 1.466 ( 3.487 0.000 12.184) 12.673 1.574 ( -1.330 0.000 -0.103) 1.334 1.727 ( 1.663 0.000 2.977) 3.410 1.811 ( -1.947 0.000 3.265) 3.801 1.916 ( 4.334 0.000 5.250) 6.808 1.967 ( 0.140 0.000 5.625) 5.627 1.984 ( 7.393 0.000 -6.277) 9.699 2.045 ( 0.563 0.000 -10.389) 10.404 2.167 ( -6.938 0.000 -0.687) 6.972 2.223 ( 1.496 0.000 -5.139) 5.353 2.279 ( -3.171 0.000 -1.534) 3.523 2.298 ( 1.276 0.000 1.502) 1.970 2.374 ( 4.041 0.000 -3.374) 5.265 2.491 ( -2.946 0.000 0.909) 3.083 2.492 ( -1.433 0.000 3.064) 3.383 2.579 ( 1.258 0.000 2.311) 2.631 2.704 ( 0.425 0.000 -5.686) 5.702 2.765 ( 1.669 0.000 4.915) 5.190 2.861 ( 1.593 0.000 0.998) 1.880 2.941 ( -0.919 0.000 -1.540) 1.793 2.999 ( 5.650 0.000 1.287) 5.795 3.027 ( -0.770 0.000 -0.501) 0.919 3.103 ( -2.004 0.000 -0.168) 2.011 3.154 ( 1.672 0.000 -0.767) 1.840 3.264 ( 6.476 0.000 0.949) 6.546 3.491 ( 2.397 0.000 0.946) 2.577 3.528 ( -0.741 0.000 -1.062) 1.295 3.571 ( 1.893 0.000 1.150) 2.214 3.586 ( 0.751 0.000 -0.929) 1.194 3.636 ( 4.679 0.000 -0.151) 4.682 3.662 ( 3.232 0.000 -1.276) 3.475 3.867 ( 0.866 0.000 -3.696) 3.796 3.911 ( 3.438 0.000 0.648) 3.499 4.248 ( -1.937 0.000 -0.399) 1.978 4.249 ( -2.892 0.000 1.730) 3.370 4.349 ( 0.929 0.000 1.195) 1.513 4.379 ( 0.934 0.000 1.462) 1.735 4.593 ( -2.801 0.000 1.345) 3.107 4.606 ( -2.592 0.000 -1.461) 2.976 5.154 ( -1.459 0.000 -1.112) 1.834 5.264 ( 1.533 0.000 0.887) 1.771 6.407 ( -1.158 0.000 0.117) 1.164 6.430 ( -0.330 0.000 0.677) 0.753 8.617 ( -1.234 0.000 -0.619) 1.381 8.697 ( 0.605 0.000 0.794) 0.998 13.271 ( -0.822 0.000 0.715) 1.089 13.277 ( 1.265 0.000 -2.794) 3.067 13.358 ( -0.646 0.000 0.014) 0.646 13.443 ( -0.422 0.000 0.019) 0.422 13.558 ( 0.518 0.000 1.038) 1.160 13.640 ( -1.647 0.000 -0.270) 1.669 13.753 ( -3.476 0.000 0.983) 3.613 13.889 ( -3.476 0.000 0.372) 3.496 13.984 ( 2.933 0.000 0.914) 3.072 14.007 ( -0.269 0.000 -0.191) 0.330 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -0.298 0.000 4.027) 4.038 0.808 ( 0.302 0.000 -7.000) 7.006 0.944 ( 7.913 0.000 7.535) 10.926 1.204 ( 5.188 0.000 -3.790) 6.425 1.356 ( -1.001 0.000 -0.793) 1.277 1.528 ( -3.149 0.000 3.603) 4.785 1.563 ( -1.451 0.000 1.270) 1.928 1.755 ( -1.219 0.000 -0.725) 1.418 1.817 ( -5.634 0.000 7.831) 9.647 1.899 ( -0.012 0.000 -7.826) 7.826 1.974 ( 0.086 0.000 -4.417) 4.418 2.039 ( -0.683 0.000 0.566) 0.887 2.077 ( 8.537 0.000 -7.579) 11.416 2.144 ( 3.295 0.000 9.192) 9.765 2.147 ( -2.038 0.000 -1.945) 2.817 2.282 ( 5.204 0.000 -4.069) 6.605 2.326 ( -1.261 0.000 2.508) 2.807 2.435 ( 3.963 0.000 -0.068) 3.964 2.468 ( -2.227 0.000 2.329) 3.223 2.510 ( 0.410 0.000 2.423) 2.457 2.619 ( 0.427 0.000 1.638) 1.693 2.633 ( -1.458 0.000 -5.355) 5.550 2.792 ( -1.083 0.000 -0.215) 1.104 2.890 ( -1.845 0.000 -0.018) 1.845 2.916 ( 1.422 0.000 3.945) 4.194 3.040 ( 2.322 0.000 -3.234) 3.981 3.084 ( -2.900 0.000 3.450) 4.507 3.088 ( 2.635 0.000 3.250) 4.184 3.177 ( 3.654 0.000 -2.015) 4.173 3.379 ( 6.476 0.000 -0.071) 6.476 3.484 ( -0.950 0.000 -1.713) 1.958 3.527 ( 1.346 0.000 -0.416) 1.409 3.589 ( 1.290 0.000 -0.737) 1.486 3.622 ( 1.382 0.000 1.031) 1.724 3.702 ( 2.363 0.000 -0.604) 2.439 3.708 ( 3.878 0.000 -0.317) 3.891 3.847 ( 0.958 0.000 -1.685) 1.938 3.964 ( 2.332 0.000 0.512) 2.387 4.213 ( -1.590 0.000 -0.682) 1.730 4.215 ( -2.930 0.000 1.115) 3.135 4.375 ( 1.129 0.000 0.493) 1.231 4.409 ( 1.252 0.000 0.461) 1.334 4.558 ( -1.838 0.000 -0.611) 1.937 4.559 ( -3.050 0.000 1.334) 3.329 5.129 ( -0.640 0.000 -0.185) 0.666 5.290 ( 0.988 0.000 0.107) 0.994 6.389 ( -0.987 0.000 -0.099) 0.992 6.427 ( -0.437 0.000 -0.019) 0.438 8.595 ( -0.739 0.000 -0.309) 0.800 8.711 ( 0.476 0.000 0.046) 0.479 13.254 ( -2.072 0.000 1.275) 2.433 13.276 ( 1.285 0.000 -1.010) 1.634 13.349 ( -0.721 0.000 0.696) 1.003 13.432 ( -0.671 0.000 -0.205) 0.701 13.567 ( -0.357 0.000 0.205) 0.412 13.606 ( -1.703 0.000 -0.984) 1.967 13.725 ( -2.101 0.000 1.486) 2.573 13.835 ( -3.044 0.000 -0.470) 3.080 14.006 ( 0.491 0.000 -0.291) 0.571 14.038 ( 2.778 0.000 0.022) 2.778 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 0.639 0.000 1.850) 1.957 0.842 ( 3.063 0.000 5.056) 5.912 1.090 ( 6.329 0.000 -1.864) 6.598 1.223 ( -4.193 0.000 3.099) 5.214 1.365 ( 3.780 0.000 -0.836) 3.871 1.520 ( -1.669 0.000 3.847) 4.193 1.539 ( -1.822 0.000 -0.479) 1.883 1.687 ( -0.575 0.000 -6.253) 6.280 1.740 ( -10.178 0.000 2.850) 10.570 1.894 ( 4.830 0.000 -2.345) 5.369 1.942 ( 2.096 0.000 -1.788) 2.755 2.071 ( -0.968 0.000 -0.388) 1.043 2.083 ( 1.757 0.000 2.703) 3.223 2.180 ( 7.068 0.000 -4.485) 8.371 2.211 ( -1.060 0.000 -1.570) 1.894 2.271 ( -6.879 0.000 0.848) 6.931 2.344 ( 7.227 0.000 -3.258) 7.927 2.414 ( -4.216 0.000 -0.803) 4.291 2.495 ( 0.278 0.000 1.083) 1.118 2.545 ( -0.616 0.000 -0.178) 0.641 2.613 ( 3.257 0.000 2.818) 4.307 2.635 ( -1.226 0.000 3.796) 3.989 2.755 ( -0.459 0.000 -3.483) 3.513 2.886 ( -0.437 0.000 1.600) 1.659 2.969 ( -0.162 0.000 3.125) 3.129 3.021 ( 1.613 0.000 -4.972) 5.227 3.075 ( -3.076 0.000 4.696) 5.614 3.145 ( 0.171 0.000 2.690) 2.696 3.228 ( 3.040 0.000 0.407) 3.067 3.446 ( 2.533 0.000 -1.414) 2.901 3.483 ( 0.758 0.000 1.740) 1.898 3.536 ( 1.294 0.000 -1.135) 1.721 3.603 ( 0.142 0.000 0.528) 0.547 3.624 ( -0.421 0.000 -2.163) 2.203 3.718 ( 1.125 0.000 -1.667) 2.011 3.733 ( 1.152 0.000 -2.082) 2.379 3.879 ( 1.919 0.000 2.585) 3.219 3.993 ( 0.520 0.000 0.576) 0.776 4.185 ( -1.724 0.000 0.349) 1.759 4.188 ( -0.416 0.000 -0.827) 0.926 4.393 ( 0.397 0.000 0.545) 0.674 4.426 ( 0.511 0.000 0.083) 0.518 4.529 ( -2.049 0.000 0.815) 2.205 4.536 ( -0.479 0.000 -0.049) 0.481 5.132 ( 0.184 0.000 1.324) 1.336 5.295 ( 0.169 0.000 -0.817) 0.834 6.376 ( -0.381 0.000 -0.225) 0.443 6.417 ( -0.315 0.000 -0.815) 0.873 8.590 ( 0.080 0.000 0.482) 0.489 8.710 ( -0.080 0.000 -1.020) 1.023 13.248 ( -1.126 0.000 2.800) 3.018 13.299 ( 1.428 0.000 1.203) 1.867 13.355 ( -0.378 0.000 2.215) 2.247 13.424 ( -0.152 0.000 0.065) 0.165 13.565 ( -0.087 0.000 0.702) 0.707 13.570 ( -0.552 0.000 -2.194) 2.263 13.696 ( -2.050 0.000 -1.419) 2.493 13.787 ( -1.242 0.000 -1.866) 2.242 14.013 ( 0.418 0.000 -0.091) 0.427 14.064 ( 0.971 0.000 -0.915) 1.334 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -8.398 0.000 1.980) 8.629 1.051 ( 9.496 0.000 11.608) 14.997 1.109 ( -14.081 0.000 4.653) 14.830 1.136 ( 4.363 0.000 -4.429) 6.217 1.428 ( 3.194 0.000 -2.263) 3.915 1.520 ( 0.798 0.000 -0.687) 1.053 1.527 ( 0.419 0.000 -3.141) 3.169 1.622 ( 1.131 0.000 -6.579) 6.675 1.654 ( -4.951 0.000 7.438) 8.935 1.925 ( -4.214 0.000 -2.978) 5.160 1.979 ( 7.906 0.000 -1.963) 8.146 2.060 ( -3.892 0.000 -1.454) 4.154 2.065 ( -0.087 0.000 0.350) 0.360 2.183 ( -4.674 0.000 -0.024) 4.675 2.212 ( 3.798 0.000 2.897) 4.777 2.240 ( 5.623 0.000 -3.350) 6.545 2.301 ( -6.162 0.000 -3.545) 7.109 2.423 ( 6.280 0.000 -3.857) 7.369 2.488 ( -1.945 0.000 1.344) 2.365 2.520 ( -3.115 0.000 1.913) 3.656 2.651 ( -4.282 0.000 6.147) 7.492 2.696 ( 4.017 0.000 -0.836) 4.103 2.727 ( 1.627 0.000 -2.286) 2.806 2.891 ( -0.589 0.000 0.880) 1.059 2.959 ( -3.541 0.000 1.381) 3.800 3.020 ( 2.275 0.000 -1.077) 2.517 3.105 ( -0.280 0.000 5.276) 5.283 3.148 ( -2.259 0.000 1.424) 2.671 3.263 ( -0.276 0.000 1.591) 1.614 3.422 ( -2.652 0.000 -2.755) 3.824 3.519 ( 0.049 0.000 0.403) 0.406 3.546 ( 0.580 0.000 -0.016) 0.580 3.586 ( -0.129 0.000 -1.025) 1.033 3.600 ( -0.969 0.000 0.205) 0.990 3.705 ( 0.228 0.000 -2.405) 2.415 3.713 ( -0.829 0.000 -1.897) 2.070 3.939 ( 1.164 0.000 3.560) 3.745 3.990 ( -1.471 0.000 -0.078) 1.473 4.170 ( -0.219 0.000 -0.243) 0.327 4.185 ( 1.113 0.000 -0.671) 1.300 4.393 ( -1.428 0.000 0.618) 1.556 4.421 ( -1.484 0.000 -0.062) 1.485 4.520 ( 0.427 0.000 0.502) 0.659 4.546 ( 1.697 0.000 0.361) 1.735 5.159 ( 0.527 0.000 2.475) 2.530 5.277 ( -0.697 0.000 -1.759) 1.892 6.374 ( 0.403 0.000 -0.143) 0.427 6.403 ( 0.043 0.000 -1.231) 1.232 8.607 ( 0.672 0.000 1.296) 1.460 8.688 ( -0.625 0.000 -1.988) 2.084 13.276 ( -0.154 0.000 3.931) 3.934 13.338 ( 1.036 0.000 2.009) 2.260 13.391 ( 0.308 0.000 4.978) 4.988 13.423 ( 0.219 0.000 -0.627) 0.664 13.545 ( 1.341 0.000 -3.525) 3.772 13.589 ( 0.416 0.000 2.320) 2.357 13.635 ( -0.604 0.000 -4.004) 4.050 13.758 ( 0.930 0.000 -3.326) 3.454 14.014 ( -0.224 0.000 0.086) 0.240 14.050 ( -1.096 0.000 -1.338) 1.730 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -11.772 0.000 2.823) 12.106 0.884 ( -18.083 0.000 2.190) 18.215 1.155 ( 1.397 0.000 -3.860) 4.105 1.313 ( 6.658 0.000 10.659) 12.568 1.314 ( -9.530 0.000 -5.269) 10.890 1.537 ( 4.965 0.000 -3.903) 6.315 1.557 ( 2.392 0.000 1.009) 2.596 1.597 ( 4.543 0.000 -3.598) 5.795 1.695 ( -3.122 0.000 8.206) 8.779 1.802 ( -3.743 0.000 -1.798) 4.153 1.995 ( -4.498 0.000 0.805) 4.570 2.033 ( 1.696 0.000 -5.026) 5.304 2.082 ( 2.181 0.000 -5.413) 5.836 2.154 ( 1.970 0.000 -0.312) 1.994 2.163 ( -1.122 0.000 -2.768) 2.987 2.313 ( 4.285 0.000 0.458) 4.310 2.327 ( 2.929 0.000 6.158) 6.819 2.440 ( 2.415 0.000 -5.336) 5.857 2.483 ( -3.841 0.000 1.480) 4.116 2.491 ( -1.148 0.000 3.845) 4.012 2.638 ( -3.025 0.000 3.342) 4.508 2.715 ( 2.543 0.000 -5.043) 5.648 2.752 ( 0.584 0.000 2.946) 3.003 2.895 ( 0.617 0.000 -0.459) 0.769 2.905 ( -4.209 0.000 0.552) 4.245 3.037 ( -0.284 0.000 0.066) 0.291 3.126 ( -2.463 0.000 2.694) 3.650 3.155 ( -0.310 0.000 4.430) 4.441 3.247 ( -3.596 0.000 1.023) 3.738 3.320 ( -5.664 0.000 -3.009) 6.414 3.468 ( -2.334 0.000 -3.359) 4.090 3.546 ( -2.110 0.000 1.812) 2.781 3.578 ( -0.906 0.000 -1.116) 1.437 3.619 ( 1.217 0.000 2.417) 2.706 3.669 ( -2.209 0.000 -1.562) 2.706 3.684 ( 0.692 0.000 -2.417) 2.514 3.940 ( -3.680 0.000 -1.456) 3.957 3.986 ( 0.440 0.000 2.726) 2.762 4.175 ( 1.213 0.000 -0.419) 1.283 4.207 ( 2.000 0.000 -0.236) 2.014 4.366 ( -2.418 0.000 0.746) 2.531 4.380 ( -3.051 0.000 -0.193) 3.057 4.549 ( 1.958 0.000 0.626) 2.055 4.593 ( 3.161 0.000 0.706) 3.239 5.195 ( 0.399 0.000 2.658) 2.688 5.239 ( -1.210 0.000 -2.410) 2.697 6.385 ( 0.935 0.000 0.133) 0.945 6.394 ( 0.440 0.000 -1.046) 1.135 8.634 ( 0.694 0.000 1.620) 1.763 8.652 ( -0.800 0.000 -2.443) 2.571 13.303 ( -1.582 0.000 2.313) 2.802 13.367 ( 0.044 0.000 1.582) 1.583 13.423 ( 0.916 0.000 -0.413) 1.005 13.465 ( 0.573 0.000 7.244) 7.267 13.543 ( -0.361 0.000 -3.132) 3.153 13.543 ( 1.810 0.000 -3.470) 3.914 13.690 ( 4.998 0.000 2.433) 5.559 13.744 ( 2.513 0.000 -4.663) 5.297 14.008 ( -0.629 0.000 0.048) 0.630 14.009 ( -2.352 0.000 -0.940) 2.533 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -13.223 0.000 7.742) 15.323 0.575 ( -17.490 0.000 -8.050) 19.253 0.935 ( -24.404 0.000 5.914) 25.110 1.252 ( 3.293 0.000 -2.850) 4.355 1.450 ( 3.523 0.000 0.415) 3.547 1.570 ( 3.752 0.000 -3.885) 5.401 1.571 ( 2.257 0.000 -2.484) 3.356 1.691 ( -4.762 0.000 7.470) 8.859 1.726 ( 4.398 0.000 7.652) 8.826 1.806 ( 3.536 0.000 -1.193) 3.732 1.955 ( -2.031 0.000 -7.693) 7.957 1.966 ( -0.651 0.000 1.376) 1.522 1.997 ( -0.532 0.000 -3.655) 3.693 2.208 ( 2.681 0.000 2.054) 3.377 2.215 ( 7.455 0.000 -4.749) 8.839 2.363 ( -7.421 0.000 4.000) 8.430 2.374 ( 2.624 0.000 -1.043) 2.823 2.418 ( 0.165 0.000 -1.393) 1.403 2.478 ( 3.101 0.000 1.775) 3.573 2.516 ( 0.095 0.000 2.218) 2.220 2.631 ( -1.164 0.000 1.820) 2.160 2.670 ( 0.197 0.000 -7.835) 7.837 2.797 ( -1.614 0.000 3.175) 3.562 2.852 ( -1.574 0.000 2.379) 2.852 2.885 ( 0.557 0.000 -3.212) 3.260 3.027 ( -1.970 0.000 1.450) 2.446 3.130 ( -0.732 0.000 3.260) 3.341 3.148 ( -7.988 0.000 1.576) 8.142 3.201 ( 0.270 0.000 0.274) 0.385 3.202 ( -5.546 0.000 -0.531) 5.572 3.406 ( -1.740 0.000 -1.608) 2.369 3.514 ( -3.195 0.000 0.890) 3.316 3.558 ( -1.449 0.000 0.559) 1.553 3.615 ( -2.449 0.000 -1.347) 2.795 3.654 ( 0.397 0.000 1.447) 1.501 3.680 ( 1.972 0.000 -2.555) 3.228 3.853 ( -4.345 0.000 -2.109) 4.829 4.008 ( 0.218 0.000 -0.202) 0.297 4.195 ( 1.625 0.000 -0.191) 1.636 4.239 ( 1.833 0.000 0.712) 1.967 4.333 ( -2.832 0.000 0.918) 2.977 4.340 ( -2.243 0.000 1.353) 2.619 4.585 ( 1.666 0.000 0.356) 1.704 4.651 ( 3.036 0.000 0.459) 3.071 5.196 ( -0.902 0.000 -2.203) 2.381 5.224 ( -0.019 0.000 1.969) 1.969 6.395 ( 0.612 0.000 -0.444) 0.756 6.404 ( 0.926 0.000 0.429) 1.021 8.616 ( -0.602 0.000 -1.836) 1.932 8.658 ( 0.250 0.000 1.337) 1.361 13.273 ( -2.664 0.000 -0.332) 2.685 13.371 ( -0.853 0.000 0.532) 1.005 13.423 ( -0.626 0.000 -1.193) 1.348 13.524 ( 1.414 0.000 0.599) 1.536 13.547 ( 3.968 0.000 -0.005) 3.968 13.592 ( 2.184 0.000 5.424) 5.847 13.732 ( 2.311 0.000 -5.017) 5.524 13.794 ( 3.938 0.000 2.637) 4.739 13.962 ( -2.569 0.000 -0.270) 2.584 14.000 ( 0.026 0.000 -0.238) 0.239 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.213 ( -12.797 0.000 1.314) 12.865 0.329 ( -11.745 0.000 15.508) 19.454 0.659 ( -27.437 0.000 22.055) 35.202 1.248 ( 2.251 0.000 -6.679) 7.048 1.455 ( 2.272 0.000 -7.364) 7.707 1.577 ( 1.178 0.000 -1.657) 2.033 1.583 ( 1.387 0.000 -0.748) 1.576 1.743 ( 0.145 0.000 7.488) 7.489 1.829 ( 1.865 0.000 3.471) 3.940 1.843 ( -2.790 0.000 -5.892) 6.519 1.852 ( 3.116 0.000 -0.070) 3.117 1.971 ( 0.382 0.000 -1.353) 1.406 2.033 ( 3.392 0.000 3.812) 5.102 2.210 ( -10.819 0.000 -6.555) 12.650 2.248 ( 4.695 0.000 -9.274) 10.394 2.251 ( 0.055 0.000 1.506) 1.507 2.368 ( 1.488 0.000 -2.132) 2.600 2.437 ( 1.408 0.000 0.591) 1.527 2.529 ( 1.494 0.000 -2.643) 3.035 2.552 ( 0.799 0.000 1.358) 1.576 2.591 ( -0.582 0.000 0.914) 1.084 2.645 ( -0.388 0.000 3.281) 3.304 2.738 ( -4.328 0.000 -0.387) 4.345 2.863 ( 1.083 0.000 -2.857) 3.055 2.936 ( 2.506 0.000 6.789) 7.236 2.964 ( -5.232 0.000 -2.547) 5.819 2.993 ( -10.125 0.000 -1.571) 10.246 3.122 ( -0.490 0.000 -0.835) 0.968 3.210 ( 0.158 0.000 -0.290) 0.331 3.254 ( 5.757 0.000 7.526) 9.476 3.387 ( -0.387 0.000 1.538) 1.586 3.480 ( -2.238 0.000 1.020) 2.459 3.531 ( -1.811 0.000 -0.809) 1.983 3.568 ( -1.402 0.000 -1.447) 2.015 3.662 ( -0.338 0.000 0.015) 0.338 3.691 ( 2.398 0.000 -2.272) 3.304 3.779 ( -2.364 0.000 -0.702) 2.466 3.945 ( -4.911 0.000 -7.150) 8.674 4.221 ( 1.421 0.000 0.454) 1.492 4.278 ( 0.686 0.000 1.202) 1.384 4.324 ( -1.896 0.000 1.943) 2.715 4.348 ( 2.786 0.000 4.660) 5.430 4.605 ( 0.845 0.000 -0.167) 0.861 4.691 ( 1.649 0.000 -0.214) 1.663 5.173 ( 0.345 0.000 -0.628) 0.717 5.234 ( -0.602 0.000 0.874) 1.061 6.403 ( 0.495 0.000 0.259) 0.558 6.420 ( 0.414 0.000 0.556) 0.693 8.613 ( 1.459 0.000 1.841) 2.349 8.668 ( -0.342 0.000 0.684) 0.765 13.234 ( -1.337 0.000 -0.246) 1.359 13.358 ( -0.749 0.000 -0.374) 0.837 13.400 ( -0.256 0.000 -0.882) 0.918 13.558 ( -0.732 0.000 -10.450) 10.475 13.561 ( 0.906 0.000 1.541) 1.787 13.640 ( 0.297 0.000 -2.484) 2.502 13.802 ( 6.675 0.000 9.372) 11.507 13.851 ( 0.363 0.000 1.444) 1.489 13.928 ( -1.537 0.000 1.871) 2.421 14.009 ( 1.371 0.000 -0.319) 1.407 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 3.730 5.647 14.255) 15.780 0.499 ( -1.776 9.258 13.684) 16.617 0.840 ( -5.410 12.362 20.569) 24.600 1.176 ( 2.055 -1.816 -6.625) 7.170 1.374 ( 2.029 -1.397 -9.849) 10.152 1.483 ( -1.606 -6.345 1.594) 6.737 1.593 ( 2.913 -1.050 -1.219) 3.328 1.626 ( -5.277 -3.784 -0.364) 6.504 1.763 ( 2.466 -4.538 -5.760) 7.736 1.861 ( -0.159 -0.113 3.566) 3.572 1.934 ( -2.585 -3.092 3.359) 5.246 1.979 ( -1.583 3.267 -0.305) 3.643 2.055 ( 1.268 -0.333 2.017) 2.405 2.096 ( 1.899 -0.720 3.748) 4.263 2.226 ( 4.596 1.679 -8.503) 9.810 2.302 ( -0.985 0.480 2.947) 3.144 2.424 ( 0.344 0.485 -4.367) 4.407 2.455 ( 0.751 1.203 0.418) 1.478 2.543 ( -1.788 -0.508 -2.179) 2.865 2.554 ( 3.054 3.051 -2.038) 4.774 2.594 ( 0.001 -0.087 1.475) 1.478 2.674 ( -3.599 -0.038 -2.800) 4.560 2.719 ( -1.693 -3.132 -2.936) 4.614 2.808 ( 2.512 1.447 -1.388) 3.214 2.884 ( -1.964 1.233 -0.321) 2.341 2.917 ( 0.428 1.524 -0.434) 1.642 3.061 ( 1.815 0.690 2.712) 3.335 3.111 ( -1.365 -1.701 1.770) 2.809 3.182 ( 0.990 2.769 1.442) 3.275 3.266 ( -3.511 -2.043 -0.771) 4.135 3.432 ( -0.066 -0.856 0.991) 1.311 3.449 ( -0.505 1.406 2.472) 2.889 3.522 ( 0.570 0.257 -1.185) 1.339 3.535 ( 1.731 0.044 -0.632) 1.843 3.633 ( -1.094 -0.092 -1.439) 1.810 3.677 ( 0.173 -1.218 -2.448) 2.740 3.789 ( 0.983 0.452 1.026) 1.492 3.844 ( 1.027 -0.523 -0.008) 1.152 4.209 ( 0.397 -1.214 0.563) 1.396 4.282 ( 0.383 -0.724 -0.242) 0.854 4.336 ( -1.768 -2.266 2.393) 3.740 4.344 ( -0.645 1.070 1.637) 2.060 4.615 ( -0.034 -0.108 0.800) 0.808 4.689 ( -0.433 -0.777 -0.533) 1.037 5.189 ( 0.958 0.247 0.501) 1.109 5.253 ( -0.778 0.596 -2.205) 2.413 6.420 ( 0.202 0.513 0.690) 0.884 6.430 ( -0.229 0.294 0.505) 0.627 8.632 ( 0.660 0.006 1.344) 1.498 8.721 ( -0.216 0.645 -2.393) 2.488 13.235 ( 0.916 0.095 0.212) 0.945 13.297 ( -2.133 -1.688 -0.942) 2.879 13.388 ( -0.788 1.145 0.958) 1.688 13.427 ( -0.255 1.320 -0.219) 1.362 13.620 ( -1.237 3.146 -1.155) 3.572 13.666 ( 1.636 1.379 -0.787) 2.279 13.844 ( -0.165 -1.249 0.760) 1.472 13.856 ( 0.876 -1.563 0.932) 2.019 13.935 ( -1.034 -0.655 2.778) 3.036 14.008 ( 0.249 -1.595 0.342) 1.650 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 2.364 7.956 9.808) 12.849 0.642 ( -0.050 8.609 14.482) 16.847 1.077 ( 7.837 -1.430 6.056) 10.007 1.173 ( 3.039 0.080 3.366) 4.536 1.267 ( -0.537 1.623 -11.323) 11.451 1.451 ( -3.212 -2.099 0.418) 3.860 1.539 ( -4.045 -5.721 -0.802) 7.052 1.650 ( 5.433 -0.922 -0.152) 5.513 1.759 ( 4.014 -3.893 -4.021) 6.887 1.880 ( -1.263 -2.217 2.032) 3.262 1.896 ( -3.537 -0.242 1.461) 3.834 1.975 ( -2.557 2.321 4.675) 5.812 2.069 ( 1.746 -1.868 -2.657) 3.688 2.190 ( 2.917 -0.225 3.485) 4.550 2.224 ( 2.851 0.497 -4.651) 5.478 2.294 ( 0.051 -0.342 -0.472) 0.585 2.367 ( -2.671 1.215 -2.043) 3.576 2.439 ( -2.603 1.714 -5.097) 5.974 2.489 ( -1.751 -0.344 1.469) 2.312 2.531 ( -0.748 -1.162 -0.466) 1.458 2.562 ( -5.196 -0.090 -0.299) 5.206 2.688 ( 5.830 2.285 0.873) 6.322 2.727 ( 4.671 -4.289 -2.502) 6.817 2.830 ( 0.225 3.417 -3.241) 4.715 2.887 ( 5.328 -0.809 -0.044) 5.389 2.944 ( 2.111 1.853 0.543) 2.861 3.091 ( -2.302 -0.857 1.091) 2.688 3.120 ( -0.512 -0.092 2.241) 2.301 3.196 ( -1.223 2.368 -1.623) 3.120 3.215 ( 2.063 2.980 0.871) 3.727 3.443 ( 1.435 -0.860 0.095) 1.676 3.494 ( 1.402 1.157 3.511) 3.953 3.544 ( 2.612 -1.262 0.136) 2.904 3.575 ( 0.620 0.941 -0.866) 1.421 3.594 ( 1.573 0.412 -1.315) 2.091 3.651 ( 0.481 -0.773 -2.890) 3.030 3.838 ( 3.040 -0.596 1.370) 3.387 3.869 ( 2.304 -0.973 -2.343) 3.427 4.222 ( -0.234 -1.507 1.254) 1.974 4.276 ( -0.789 -1.033 -0.797) 1.525 4.328 ( -0.966 -0.524 1.830) 2.135 4.359 ( 0.098 0.121 1.584) 1.592 4.613 ( -1.626 -0.097 1.255) 2.056 4.660 ( -2.085 -0.319 -1.001) 2.335 5.199 ( -1.056 0.404 -0.942) 1.472 5.228 ( 0.772 -0.006 0.221) 0.803 6.424 ( -0.756 0.347 0.459) 0.950 6.431 ( -0.169 0.490 0.720) 0.887 8.649 ( -0.241 0.511 0.377) 0.679 8.688 ( -0.775 0.309 -0.555) 1.003 13.261 ( 1.530 -0.112 -0.354) 1.574 13.281 ( 1.255 -0.373 -0.883) 1.579 13.377 ( -1.290 1.190 0.290) 1.779 13.443 ( 1.547 0.746 -0.042) 1.719 13.584 ( -2.264 2.284 0.351) 3.235 13.670 ( -0.257 1.178 -0.539) 1.321 13.810 ( -2.897 0.047 -0.261) 2.910 13.884 ( 0.123 -2.463 0.787) 2.588 13.945 ( -0.406 -0.213 1.879) 1.934 14.006 ( -0.556 -0.963 0.204) 1.131 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 3.123 6.624 7.658) 10.596 0.811 ( 4.428 7.243 10.592) 13.574 1.012 ( -3.877 1.521 -15.793) 16.333 1.153 ( 4.234 -1.110 -4.020) 5.942 1.391 ( -3.319 -1.552 -1.505) 3.961 1.408 ( 5.116 -4.965 8.660) 11.217 1.495 ( -0.961 -5.993 0.181) 6.072 1.746 ( 2.900 1.397 2.186) 3.891 1.786 ( 0.716 -4.321 -0.777) 4.448 1.842 ( -4.107 -5.897 0.851) 7.236 1.908 ( 2.531 -0.744 3.815) 4.639 1.988 ( 1.346 1.148 0.067) 1.770 2.079 ( 1.356 1.585 -1.781) 2.743 2.161 ( -2.985 0.414 -2.940) 4.210 2.262 ( -1.553 -0.865 -1.518) 2.337 2.289 ( -0.202 2.325 1.989) 3.066 2.316 ( 3.961 1.658 -2.482) 4.959 2.392 ( 2.563 1.177 -2.140) 3.540 2.457 ( -2.480 -0.231 0.553) 2.551 2.536 ( 1.091 -2.573 -0.083) 2.796 2.537 ( -1.227 2.285 2.695) 3.741 2.757 ( 1.317 0.683 -0.421) 1.542 2.780 ( 2.395 -0.197 -0.100) 2.405 2.812 ( 3.302 0.864 -1.057) 3.573 2.950 ( -0.863 0.353 -1.754) 1.986 2.985 ( 3.233 -1.293 2.008) 4.019 3.050 ( -2.334 0.982 -0.906) 2.689 3.116 ( 0.620 1.179 0.910) 1.613 3.204 ( 2.519 3.470 -1.246) 4.465 3.287 ( 5.310 1.777 1.077) 5.702 3.476 ( 2.278 -1.031 0.293) 2.517 3.526 ( -0.450 0.113 -2.944) 2.981 3.568 ( 2.064 -0.097 2.915) 3.574 3.589 ( 1.603 -0.723 0.472) 1.821 3.621 ( 1.873 -0.018 -2.092) 2.808 3.669 ( 3.521 0.137 0.227) 3.531 3.865 ( 1.188 -0.208 -2.987) 3.221 3.904 ( 3.595 -0.605 0.759) 3.724 4.221 ( -1.423 -1.424 0.859) 2.189 4.242 ( -2.331 -0.904 -0.281) 2.516 4.347 ( 1.098 -0.272 0.963) 1.485 4.381 ( 0.934 -0.154 1.011) 1.385 4.591 ( -2.807 -0.069 1.238) 3.068 4.610 ( -2.687 0.154 -0.804) 2.809 5.163 ( -1.348 0.746 -1.188) 1.946 5.256 ( 1.314 -0.731 0.812) 1.708 6.412 ( -1.086 0.456 0.114) 1.183 6.435 ( -0.376 0.352 0.573) 0.770 8.628 ( -1.265 0.918 -0.793) 1.752 8.694 ( 0.508 -0.294 0.774) 0.972 13.264 ( 1.237 -0.310 -2.108) 2.464 13.301 ( 0.018 1.760 0.652) 1.877 13.356 ( -1.077 0.062 -0.079) 1.082 13.454 ( -0.084 0.591 -0.333) 0.684 13.572 ( -0.216 1.231 0.911) 1.547 13.649 ( -1.636 0.943 -0.392) 1.928 13.759 ( -3.429 0.260 0.786) 3.527 13.869 ( -2.747 -1.658 0.821) 3.312 13.974 ( 1.949 -0.713 0.423) 2.118 14.004 ( 0.490 -0.177 0.169) 0.548 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.17 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 0.803 3.537 -5.457) 6.553 0.841 ( 0.941 3.962 -0.569) 4.112 0.989 ( 6.298 3.046 4.135) 8.127 1.192 ( 2.660 -0.736 0.081) 2.761 1.334 ( -1.660 -2.272 -0.705) 2.901 1.469 ( -0.030 -5.821 -0.098) 5.822 1.551 ( 1.314 -1.607 5.822) 6.181 1.714 ( -5.124 -5.508 -2.575) 7.952 1.764 ( -1.190 -3.260 1.624) 3.831 1.816 ( -0.343 -2.730 -0.353) 2.774 1.960 ( -6.239 -0.652 -5.567) 8.387 2.025 ( 2.466 0.810 2.979) 3.951 2.063 ( 4.153 -2.271 4.061) 6.237 2.102 ( 1.060 1.867 -5.524) 5.926 2.278 ( 3.737 -0.608 -1.242) 3.985 2.330 ( 3.122 6.290 0.122) 7.023 2.340 ( 1.193 0.910 -2.195) 2.659 2.422 ( -1.738 -1.697 2.461) 3.458 2.468 ( 3.162 3.480 2.173) 5.180 2.535 ( 0.349 -0.294 -1.093) 1.184 2.552 ( -1.499 0.239 2.948) 3.316 2.754 ( -1.323 2.878 1.117) 3.359 2.794 ( 2.730 0.776 -3.960) 4.872 2.888 ( 2.906 -1.058 2.956) 4.278 2.903 ( -1.193 1.738 -0.606) 2.193 3.000 ( -0.609 -1.691 -2.105) 2.768 3.032 ( -1.298 -2.648 2.229) 3.696 3.157 ( 1.332 3.930 2.413) 4.800 3.242 ( 3.703 3.308 -1.035) 5.072 3.383 ( 5.424 0.064 -0.144) 5.426 3.491 ( 0.254 0.705 -2.437) 2.550 3.514 ( 1.644 -1.191 0.351) 2.060 3.592 ( 0.599 0.645 -0.682) 1.113 3.625 ( 0.926 0.166 1.513) 1.781 3.658 ( 3.442 -2.487 -0.421) 4.267 3.709 ( 1.709 -0.850 -1.103) 2.204 3.861 ( 1.474 1.198 -1.001) 2.147 3.962 ( 2.544 -0.259 0.562) 2.618 4.196 ( -1.445 -1.262 -0.883) 2.112 4.207 ( -2.485 -0.742 1.088) 2.813 4.374 ( 1.284 -0.153 0.361) 1.343 4.406 ( 1.158 -0.390 0.322) 1.264 4.555 ( -2.520 -0.025 0.475) 2.564 4.566 ( -2.503 0.284 0.371) 2.547 5.139 ( -0.586 0.912 -0.239) 1.110 5.279 ( 0.849 -0.986 0.206) 1.317 6.395 ( -0.923 0.535 -0.120) 1.074 6.431 ( -0.477 0.232 -0.039) 0.531 8.605 ( -0.702 0.911 -0.374) 1.209 8.707 ( 0.333 -0.484 0.107) 0.598 13.264 ( 0.374 0.520 -0.374) 0.741 13.290 ( -1.312 1.826 0.800) 2.386 13.351 ( -0.241 -0.012 0.647) 0.691 13.442 ( -0.786 0.583 -0.172) 0.994 13.576 ( -0.188 0.811 0.077) 0.836 13.616 ( -1.709 0.954 -0.594) 2.046 13.726 ( -2.033 0.161 0.791) 2.188 13.826 ( -2.603 -0.744 -0.396) 2.736 13.994 ( 0.808 -0.896 -0.211) 1.225 14.033 ( 2.176 -0.531 -0.000) 2.240 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.17 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 5.891 2.773 1.093) 6.602 0.873 ( -1.042 4.130 3.231) 5.346 1.082 ( 5.588 -1.364 -4.181) 7.111 1.214 ( -4.401 -0.901 5.103) 6.799 1.344 ( 2.779 -1.759 1.045) 3.451 1.477 ( 1.637 -3.464 0.298) 3.843 1.579 ( -4.764 -2.157 2.772) 5.918 1.632 ( -1.840 1.542 -1.849) 3.030 1.745 ( -3.458 -6.105 -2.425) 7.423 1.796 ( -0.423 -3.813 -1.425) 4.093 1.858 ( 1.639 -1.534 0.693) 2.350 2.046 ( -1.020 1.084 -1.786) 2.325 2.100 ( 3.260 0.570 2.343) 4.054 2.166 ( 0.774 -2.941 1.480) 3.382 2.275 ( -0.614 0.318 -6.201) 6.239 2.291 ( 2.229 -0.946 -6.889) 7.302 2.374 ( 0.845 2.126 0.146) 2.292 2.406 ( -1.413 2.819 -0.263) 3.165 2.531 ( -0.712 3.856 3.452) 5.225 2.547 ( -1.597 -0.194 3.079) 3.474 2.564 ( 2.012 0.996 1.527) 2.715 2.732 ( -1.815 0.610 0.392) 1.955 2.804 ( 3.765 5.243 -3.520) 7.353 2.907 ( -0.120 2.305 1.067) 2.542 2.956 ( 0.834 -1.066 3.441) 3.698 2.983 ( 1.420 -2.087 -1.942) 3.185 3.022 ( -2.715 -2.814 4.004) 5.597 3.192 ( -0.533 3.197 2.374) 4.018 3.288 ( 2.310 3.334 0.085) 4.057 3.437 ( 2.219 -1.272 -1.560) 2.996 3.491 ( 1.537 0.566 -0.207) 1.651 3.535 ( 0.855 -0.427 -0.114) 0.962 3.599 ( 0.135 0.398 0.367) 0.558 3.622 ( -0.849 -0.032 -1.923) 2.102 3.700 ( 2.232 -1.942 -0.949) 3.107 3.709 ( 0.253 -1.346 -1.189) 1.814 3.891 ( 1.526 1.091 1.703) 2.533 3.992 ( 0.541 -0.176 0.365) 0.676 4.168 ( -0.710 -1.074 -0.756) 1.493 4.186 ( -1.125 -0.490 0.481) 1.318 4.392 ( 0.450 -0.154 0.355) 0.593 4.422 ( 0.529 -0.424 0.108) 0.686 4.528 ( -1.625 0.021 0.626) 1.742 4.539 ( -0.946 0.171 0.110) 0.968 5.141 ( 0.179 0.822 1.087) 1.375 5.284 ( 0.075 -1.034 -0.670) 1.234 6.382 ( -0.334 0.600 -0.216) 0.720 6.420 ( -0.314 0.233 -0.741) 0.838 8.600 ( 0.093 0.911 0.420) 1.008 8.705 ( -0.111 -0.506 -0.844) 0.990 13.268 ( -0.779 1.766 2.529) 3.181 13.301 ( 1.032 0.437 1.486) 1.861 13.358 ( -0.420 0.231 1.680) 1.747 13.435 ( -0.177 0.688 0.725) 1.015 13.571 ( 0.112 0.617 -0.746) 0.974 13.585 ( -0.876 1.182 -0.990) 1.773 13.695 ( -1.556 0.199 -1.650) 2.277 13.784 ( -1.101 -0.364 -1.928) 2.250 14.003 ( 0.445 -0.720 -0.001) 0.846 14.054 ( 0.833 -0.905 -0.794) 1.464 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -7.082 6.720 -0.049) 9.764 1.034 ( 7.576 -0.753 9.785) 12.398 1.110 ( 3.448 -1.888 -3.259) 5.106 1.158 ( -7.264 2.316 5.227) 9.244 1.400 ( 2.129 -2.550 -0.543) 3.366 1.471 ( -7.943 -2.146 -2.474) 8.592 1.542 ( 5.894 -1.980 -0.349) 6.228 1.581 ( -0.601 -1.599 -2.960) 3.417 1.689 ( -1.129 -1.449 0.221) 1.850 1.786 ( -1.164 -4.088 1.270) 4.436 1.940 ( 4.619 -1.342 -0.640) 4.853 2.027 ( 0.479 -2.269 0.231) 2.330 2.081 ( -6.499 -1.727 -1.704) 6.937 2.178 ( 2.467 -0.215 1.872) 3.104 2.221 ( -1.584 -0.399 -5.475) 5.713 2.242 ( 0.866 -0.610 -4.475) 4.599 2.374 ( -0.282 4.759 -0.913) 4.854 2.390 ( 2.253 -1.164 -2.079) 3.279 2.529 ( -2.455 4.304 2.740) 5.662 2.541 ( -2.853 -0.984 1.891) 3.562 2.611 ( 0.008 0.620 2.801) 2.869 2.724 ( 1.179 2.506 -0.484) 2.811 2.831 ( 2.542 5.039 -1.909) 5.958 2.900 ( -0.553 0.902 0.029) 1.059 2.951 ( -3.678 -0.395 1.690) 4.067 3.011 ( 1.936 -0.287 0.670) 2.069 3.066 ( 0.024 -2.014 6.311) 6.625 3.191 ( -1.868 2.703 1.607) 3.658 3.308 ( -0.660 3.142 0.911) 3.337 3.416 ( -2.297 -0.962 -2.719) 3.687 3.517 ( 0.902 -0.641 -0.922) 1.440 3.538 ( -0.156 -0.918 0.088) 0.935 3.577 ( -0.787 -0.362 -1.705) 1.913 3.602 ( -0.589 0.807 0.821) 1.293 3.691 ( -0.888 -1.571 -1.048) 2.087 3.707 ( 0.306 -0.040 -1.775) 1.801 3.936 ( 0.749 -0.242 2.899) 3.004 3.985 ( -1.574 -0.507 -0.348) 1.690 4.161 ( 0.353 -0.619 -0.156) 0.730 4.183 ( 0.760 -0.253 -0.356) 0.876 4.392 ( -1.191 -0.110 0.508) 1.299 4.420 ( -1.059 -0.203 -0.026) 1.078 4.519 ( 0.172 0.002 0.453) 0.485 4.546 ( 1.549 -0.063 0.306) 1.580 5.165 ( 0.600 0.540 2.160) 2.305 5.267 ( -0.685 -0.925 -1.571) 1.948 6.381 ( 0.387 0.630 -0.132) 0.751 6.407 ( 0.092 0.365 -1.114) 1.176 8.616 ( 0.695 0.805 1.172) 1.583 8.686 ( -0.539 -0.222 -1.695) 1.792 13.299 ( 0.080 2.030 3.847) 4.351 13.342 ( 1.037 0.188 2.531) 2.742 13.372 ( -0.598 -0.717 2.255) 2.440 13.451 ( 0.556 1.428 1.485) 2.134 13.550 ( 0.502 0.427 -3.418) 3.481 13.594 ( 0.961 0.352 1.831) 2.098 13.645 ( -0.174 1.086 -3.927) 4.078 13.753 ( 0.802 -0.400 -3.343) 3.461 14.006 ( -0.232 -0.626 0.201) 0.697 14.041 ( -1.023 -0.778 -1.189) 1.751 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -9.665 6.890 0.204) 11.871 0.960 ( -14.133 5.712 0.393) 15.249 1.156 ( 3.807 -0.139 -1.975) 4.291 1.278 ( -10.770 -2.896 -4.023) 11.856 1.322 ( 7.090 0.168 10.342) 12.540 1.405 ( 0.379 -5.379 -0.738) 5.442 1.537 ( -0.430 -3.780 -3.290) 5.029 1.639 ( 5.317 -0.059 -1.342) 5.484 1.723 ( 3.781 -0.798 2.694) 4.710 1.770 ( -3.060 0.999 2.272) 3.940 1.945 ( -2.372 -4.264 1.083) 4.999 1.991 ( -3.806 -3.901 -0.611) 5.484 2.053 ( 4.740 -0.845 -7.138) 8.610 2.116 ( -2.927 1.279 -3.972) 5.097 2.212 ( 3.184 0.772 0.003) 3.276 2.268 ( 0.939 -4.228 3.407) 5.510 2.385 ( 2.223 2.486 -1.043) 3.494 2.404 ( 2.582 0.299 -1.733) 3.124 2.493 ( -4.677 -1.161 1.725) 5.118 2.527 ( -1.763 2.714 2.409) 4.035 2.625 ( -1.388 0.617 2.773) 3.162 2.756 ( 3.211 4.202 -0.708) 5.336 2.824 ( -0.165 3.465 -3.317) 4.800 2.890 ( -4.000 -0.546 2.233) 4.614 2.912 ( -0.435 1.139 -0.513) 1.323 3.036 ( 0.096 -0.099 1.163) 1.171 3.130 ( -0.528 -0.668 6.041) 6.100 3.177 ( -2.196 2.445 2.056) 3.877 3.279 ( -3.657 2.206 -0.407) 4.290 3.315 ( -5.479 -0.128 -3.342) 6.419 3.474 ( -1.769 -0.029 -3.078) 3.550 3.529 ( -2.095 -1.188 1.124) 2.658 3.580 ( 0.692 -0.936 -0.620) 1.319 3.607 ( -0.067 0.285 1.149) 1.186 3.657 ( -1.741 -0.750 -1.096) 2.190 3.685 ( -0.437 0.021 -1.253) 1.327 3.931 ( -3.605 -0.717 -1.354) 3.917 3.970 ( -0.328 -1.352 2.245) 2.641 4.173 ( 1.275 -0.040 -0.127) 1.282 4.204 ( 2.083 -0.174 -0.174) 2.098 4.369 ( -2.145 0.140 0.647) 2.245 4.388 ( -2.514 0.485 -0.224) 2.570 4.543 ( 1.853 -0.368 0.516) 1.958 4.589 ( 2.900 -0.433 0.663) 3.007 5.200 ( 0.571 0.326 2.219) 2.315 5.234 ( -0.840 -0.427 -1.882) 2.105 6.390 ( 0.757 0.495 -0.058) 0.906 6.402 ( 0.583 0.581 -0.815) 1.158 8.643 ( 0.776 0.673 1.334) 1.683 8.655 ( -0.488 0.303 -1.958) 2.041 13.323 ( -1.844 1.497 1.329) 2.722 13.375 ( 0.164 0.813 2.104) 2.261 13.389 ( -0.322 -2.112 2.260) 3.110 13.490 ( 0.567 1.186 4.168) 4.370 13.524 ( 0.859 0.220 -3.120) 3.244 13.590 ( 1.387 2.482 -3.245) 4.314 13.686 ( 4.928 -0.474 2.038) 5.354 13.737 ( 2.163 -0.522 -4.217) 4.768 14.000 ( -1.059 -0.567 0.134) 1.209 14.003 ( -1.852 -0.456 -0.863) 2.094 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -9.650 7.938 4.025) 13.128 0.670 ( -14.230 6.752 -12.107) 19.866 1.026 ( -19.777 7.426 9.111) 23.006 1.220 ( 3.286 -1.925 -1.947) 4.277 1.415 ( 2.643 -7.298 -2.138) 8.051 1.475 ( 2.364 1.537 0.074) 2.820 1.505 ( -0.094 -7.236 2.424) 7.632 1.696 ( 3.582 -3.239 -0.393) 4.845 1.753 ( -1.930 4.088 2.003) 4.945 1.821 ( 3.175 -1.078 1.543) 3.690 1.889 ( -1.713 -6.021 -4.349) 7.622 1.954 ( -1.570 -1.132 4.506) 4.904 2.030 ( 1.397 2.125 -3.460) 4.294 2.114 ( 4.702 -0.404 -2.038) 5.140 2.230 ( -3.006 -4.722 -0.446) 5.615 2.304 ( 2.909 0.744 -1.019) 3.171 2.430 ( 1.364 -4.451 0.213) 4.660 2.433 ( -0.852 2.346 -0.304) 2.515 2.447 ( 1.731 1.859 2.292) 3.421 2.531 ( -0.234 2.439 1.588) 2.920 2.639 ( -0.523 1.088 2.912) 3.152 2.759 ( -1.339 2.627 -5.659) 6.381 2.797 ( 2.186 2.723 -0.301) 3.504 2.835 ( -4.306 -0.427 1.443) 4.561 2.911 ( -0.222 0.981 0.007) 1.006 3.050 ( -0.124 -0.271 1.417) 1.448 3.128 ( -7.039 0.556 0.973) 7.127 3.157 ( -4.150 0.870 0.060) 4.240 3.203 ( -2.174 -0.191 1.823) 2.844 3.222 ( -1.908 2.373 -0.733) 3.132 3.426 ( -1.296 0.912 -1.003) 1.876 3.497 ( -2.908 -0.838 0.746) 3.117 3.574 ( -1.111 0.345 0.199) 1.180 3.590 ( -1.765 -1.443 -1.511) 2.735 3.635 ( 0.022 -0.825 -0.486) 0.957 3.679 ( 0.608 -0.398 -0.174) 0.747 3.851 ( -3.911 -0.052 -1.556) 4.210 3.968 ( -2.049 -2.708 0.250) 3.405 4.192 ( 1.450 -0.071 -0.697) 1.611 4.239 ( 1.883 -0.006 0.655) 1.994 4.339 ( -2.404 0.125 0.626) 2.488 4.353 ( -1.834 1.059 0.921) 2.309 4.578 ( 1.708 -0.446 0.313) 1.793 4.643 ( 2.803 -0.793 0.568) 2.968 5.194 ( -0.598 0.082 -1.621) 1.730 5.241 ( 0.941 0.707 1.537) 1.936 6.399 ( 0.694 0.438 -0.295) 0.872 6.411 ( 0.769 0.545 0.205) 0.964 8.624 ( -0.530 0.683 -1.499) 1.731 8.678 ( 1.514 1.031 1.084) 2.128 13.280 ( -2.635 0.425 -1.013) 2.855 13.386 ( -0.623 1.155 0.838) 1.557 13.392 ( -1.655 -2.435 0.742) 3.036 13.502 ( -1.299 -0.906 1.057) 1.904 13.566 ( 3.374 1.658 1.670) 4.114 13.611 ( 3.937 1.824 -1.191) 4.499 13.731 ( 2.038 0.040 -3.121) 3.727 13.790 ( 4.275 -0.692 2.630) 5.067 13.959 ( -2.366 -0.138 -0.215) 2.380 13.991 ( -0.389 -0.715 -0.095) 0.819 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( -10.150 10.099 -5.440) 15.317 0.442 ( -6.632 9.656 9.677) 15.194 0.851 ( -18.972 13.503 17.439) 29.093 1.217 ( 1.584 -1.974 -5.674) 6.213 1.426 ( 2.089 -4.387 -5.272) 7.170 1.468 ( 1.035 -7.023 0.065) 7.099 1.561 ( 2.049 -1.077 0.710) 2.421 1.703 ( -5.091 -3.287 1.761) 6.311 1.760 ( 4.192 -2.844 -2.630) 5.708 1.822 ( 1.235 -2.140 -0.377) 2.499 1.904 ( 1.475 -0.438 1.983) 2.510 2.000 ( 0.180 -1.564 4.675) 4.933 2.018 ( -0.187 3.083 -2.023) 3.692 2.113 ( -4.948 -2.597 -0.586) 5.618 2.217 ( 4.855 -0.039 -0.932) 4.944 2.294 ( -0.104 0.946 -3.782) 3.900 2.429 ( 1.855 3.154 0.551) 3.700 2.447 ( 0.983 -1.520 -2.307) 2.933 2.500 ( 1.799 -0.515 0.859) 2.059 2.563 ( 2.620 1.917 0.238) 3.255 2.630 ( -2.468 2.703 -2.993) 4.728 2.720 ( 0.190 1.090 0.808) 1.370 2.776 ( -2.258 2.373 -1.203) 3.489 2.814 ( -0.415 -1.262 -1.184) 1.780 2.906 ( -1.857 -0.727 2.226) 2.989 2.983 ( -6.973 -2.126 -2.089) 7.583 3.043 ( -0.743 2.261 -1.438) 2.781 3.116 ( -1.991 -1.193 1.513) 2.770 3.167 ( -1.355 3.363 1.140) 3.801 3.266 ( 1.271 -1.612 3.342) 3.922 3.415 ( -0.123 1.560 0.953) 1.832 3.463 ( -2.395 -0.757 1.062) 2.727 3.545 ( -1.539 -0.032 -1.093) 1.888 3.548 ( -1.269 -0.242 -1.406) 1.909 3.639 ( 0.678 -1.300 0.057) 1.467 3.686 ( 0.811 -0.976 -1.131) 1.700 3.792 ( -1.806 1.024 -0.418) 2.118 3.898 ( -5.125 -2.308 -1.835) 5.913 4.201 ( 0.792 -0.533 -0.764) 1.223 4.272 ( 0.909 -0.387 0.681) 1.200 4.324 ( -1.035 -0.688 2.160) 2.492 4.345 ( -1.224 0.818 1.744) 2.282 4.602 ( 0.988 -0.194 0.192) 1.025 4.682 ( 1.513 -0.941 0.128) 1.786 5.179 ( 0.305 0.547 -0.657) 0.908 5.266 ( 1.125 0.648 -0.456) 1.376 6.409 ( 0.553 0.517 0.217) 0.788 6.424 ( 0.325 0.323 0.499) 0.677 8.613 ( 0.215 0.686 0.264) 0.766 8.716 ( 2.489 1.134 -0.415) 2.766 13.239 ( -1.113 0.166 -0.711) 1.331 13.355 ( -2.903 -2.539 -0.621) 3.906 13.385 ( -0.222 0.537 0.513) 0.775 13.470 ( -3.709 -1.303 -0.081) 3.932 13.624 ( 4.110 2.474 -2.497) 5.408 13.651 ( 1.327 1.371 -1.275) 2.295 13.768 ( 2.574 -0.850 4.501) 5.255 13.855 ( 0.737 -0.239 1.310) 1.522 13.930 ( -1.532 0.270 1.128) 1.921 13.993 ( 0.848 -1.341 0.035) 1.587 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 2.959 9.041 9.375) 13.356 0.743 ( 4.114 10.320 2.168) 11.319 1.003 ( -6.132 2.640 7.504) 10.044 1.147 ( 0.366 -0.892 -2.132) 2.340 1.311 ( 3.824 -4.801 -6.457) 8.909 1.341 ( 0.107 -5.288 0.964) 5.376 1.553 ( -0.043 -1.447 -4.420) 4.651 1.609 ( 1.093 -1.441 -1.263) 2.206 1.682 ( -0.809 0.370 -0.845) 1.227 1.817 ( -3.920 -4.137 1.781) 5.971 1.855 ( -0.838 -0.817 6.610) 6.713 2.009 ( -4.713 -1.553 7.260) 8.793 2.082 ( 2.559 2.125 1.057) 3.490 2.115 ( 2.119 1.604 1.990) 3.320 2.253 ( 4.605 -0.471 -2.721) 5.370 2.275 ( -3.102 -1.311 -1.984) 3.908 2.397 ( 2.045 -0.562 0.376) 2.154 2.499 ( 0.939 -0.906 -4.067) 4.271 2.532 ( -2.647 2.091 -3.659) 4.977 2.611 ( -3.405 0.925 -1.530) 3.846 2.644 ( 2.914 1.432 -5.213) 6.141 2.673 ( -3.667 2.390 -1.837) 4.747 2.689 ( 1.230 0.932 -2.765) 3.167 2.813 ( -0.032 -0.123 -1.352) 1.358 2.884 ( -0.644 -0.322 1.229) 1.424 2.925 ( 2.354 -1.478 1.328) 3.081 3.038 ( 1.236 -0.771 1.143) 1.852 3.121 ( -0.530 -1.616 1.149) 2.053 3.228 ( -0.147 1.003 1.254) 1.613 3.244 ( -0.363 1.228 1.079) 1.675 3.410 ( 0.323 0.305 0.435) 0.622 3.484 ( 0.578 -0.258 0.575) 0.855 3.515 ( 0.089 1.211 0.204) 1.231 3.568 ( 0.390 1.926 0.631) 2.064 3.627 ( -0.116 -1.160 -0.279) 1.199 3.639 ( -0.755 -1.694 -0.095) 1.857 3.800 ( 0.239 0.540 -0.158) 0.612 3.831 ( 0.178 -0.756 -0.247) 0.815 4.211 ( 0.562 1.120 -0.370) 1.307 4.277 ( -0.004 -0.230 -0.558) 0.604 4.300 ( -0.423 -0.822 0.778) 1.208 4.346 ( -0.185 -0.833 -0.031) 0.854 4.619 ( -0.272 0.521 1.053) 1.206 4.665 ( -0.424 -1.338 0.205) 1.418 5.201 ( 0.527 0.811 -0.019) 0.967 5.245 ( -0.499 -0.949 -1.396) 1.760 6.432 ( 0.156 0.527 0.572) 0.793 6.437 ( -0.111 0.271 0.518) 0.595 8.647 ( 0.488 1.201 0.699) 1.473 8.709 ( -0.218 -1.298 -1.046) 1.681 13.237 ( 0.725 0.190 0.219) 0.781 13.264 ( -0.807 -1.230 -0.239) 1.491 13.416 ( -0.132 1.276 0.383) 1.339 13.444 ( -0.199 0.194 -0.246) 0.371 13.683 ( -1.443 2.795 -1.089) 3.329 13.712 ( 1.534 2.612 -1.233) 3.271 13.797 ( 0.454 -2.054 1.872) 2.816 13.834 ( -0.652 -1.927 -0.319) 2.059 13.948 ( -0.285 1.135 1.453) 1.865 13.978 ( 0.233 -0.797 0.886) 1.214 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 4.581 7.105 7.935) 11.594 0.851 ( 4.824 10.117 4.391) 12.038 1.026 ( 3.071 -2.395 0.854) 3.987 1.168 ( 0.821 -1.117 3.654) 3.908 1.266 ( -0.178 -2.866 -9.516) 9.940 1.355 ( 3.554 -4.915 -4.092) 7.317 1.467 ( -5.619 -1.471 -2.075) 6.168 1.649 ( 2.863 -0.708 2.920) 4.150 1.654 ( 0.886 -3.419 -3.456) 4.941 1.786 ( -3.439 -3.919 3.797) 6.450 1.933 ( -0.637 1.884 7.025) 7.301 1.990 ( -3.583 -0.482 6.775) 7.679 2.092 ( -0.309 3.448 -2.918) 4.528 2.188 ( 3.021 -0.381 3.361) 4.535 2.227 ( -1.951 -0.033 -0.216) 1.963 2.292 ( 2.993 -0.257 -1.228) 3.245 2.388 ( -3.945 1.064 -1.698) 4.425 2.433 ( -1.477 -1.804 -2.322) 3.290 2.510 ( -0.938 1.544 -0.233) 1.821 2.538 ( 0.016 1.640 -3.652) 4.004 2.563 ( -1.699 -0.113 -2.177) 2.764 2.637 ( 2.946 -2.880 -4.651) 6.213 2.768 ( 7.232 4.283 -0.881) 8.451 2.855 ( 3.747 -1.558 -0.881) 4.153 2.876 ( 1.417 1.020 -1.687) 2.428 2.956 ( 0.720 -1.501 0.120) 1.670 3.078 ( 1.392 -1.071 1.534) 2.332 3.108 ( -1.767 -0.688 -0.061) 1.898 3.247 ( 1.114 2.305 0.398) 2.591 3.268 ( 1.091 1.610 2.080) 2.847 3.437 ( 2.288 0.856 0.271) 2.458 3.497 ( 1.618 -1.052 -0.885) 2.123 3.539 ( 0.595 1.266 2.801) 3.131 3.600 ( -0.377 -0.271 -1.770) 1.830 3.608 ( 2.203 1.192 0.968) 2.686 3.630 ( -0.072 -0.635 -0.408) 0.758 3.825 ( 2.600 -0.432 0.703) 2.728 3.845 ( 1.937 -1.188 -1.304) 2.620 4.215 ( -0.185 0.726 0.196) 0.775 4.259 ( -1.117 -0.476 -0.932) 1.531 4.311 ( 0.841 -0.666 0.658) 1.258 4.348 ( 0.611 -1.233 -0.062) 1.377 4.616 ( -1.743 0.369 1.337) 2.227 4.647 ( -1.935 -0.825 -0.017) 2.104 5.206 ( -0.387 0.285 -0.519) 0.708 5.223 ( 0.031 -0.399 -0.537) 0.670 6.434 ( -0.631 0.499 0.452) 0.923 6.441 ( -0.188 0.306 0.585) 0.687 8.662 ( 0.152 0.639 0.608) 0.895 8.687 ( -0.828 -0.355 -0.824) 1.221 13.256 ( 1.204 -0.082 -0.749) 1.421 13.272 ( 2.105 -0.538 0.296) 2.192 13.411 ( -0.928 1.685 -0.042) 1.924 13.451 ( 1.085 -0.050 -0.291) 1.124 13.638 ( -2.847 2.687 -0.126) 3.917 13.707 ( -0.722 1.754 -0.957) 2.125 13.788 ( -2.380 -1.883 0.357) 3.056 13.832 ( -0.437 -2.217 1.209) 2.563 13.958 ( 0.026 1.153 0.863) 1.441 13.990 ( 0.101 -0.450 0.727) 0.861 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 4.370 7.553 3.690) 9.474 0.955 ( 4.031 5.562 -1.136) 6.962 1.071 ( -3.445 3.778 -10.790) 11.940 1.115 ( 4.131 -2.927 1.110) 5.183 1.251 ( 0.940 -7.693 3.355) 8.445 1.340 ( -3.428 -4.142 -1.482) 5.577 1.402 ( 2.395 -0.946 -0.827) 2.705 1.627 ( 0.501 -8.051 -2.473) 8.437 1.753 ( -0.221 -0.747 4.046) 4.120 1.770 ( 0.088 -2.370 3.128) 3.925 1.935 ( -2.250 3.387 2.985) 5.044 2.038 ( -1.321 1.453 3.473) 3.990 2.100 ( 0.525 1.476 -0.350) 1.605 2.187 ( -0.636 1.654 -2.298) 2.902 2.252 ( 0.907 -0.428 1.953) 2.195 2.288 ( -0.987 -0.262 0.966) 1.406 2.335 ( -0.823 -0.489 3.044) 3.191 2.403 ( 0.289 -1.760 -2.870) 3.378 2.502 ( 1.953 3.475 0.151) 3.989 2.515 ( 2.938 2.509 -3.431) 5.167 2.584 ( 0.956 1.373 1.388) 2.174 2.673 ( 5.095 -4.638 -0.876) 6.945 2.818 ( -0.904 1.657 -1.990) 2.743 2.850 ( 2.404 -0.049 -2.240) 3.286 2.951 ( 5.126 -0.159 0.346) 5.140 2.966 ( 0.402 -0.050 -0.156) 0.434 3.056 ( -2.707 0.451 -0.833) 2.867 3.140 ( 4.444 0.122 0.604) 4.486 3.262 ( 0.878 1.878 -0.534) 2.140 3.315 ( 2.529 0.474 0.873) 2.717 3.472 ( 2.409 0.921 -0.945) 2.747 3.516 ( 1.607 -1.086 -1.631) 2.534 3.573 ( 0.574 0.851 -0.725) 1.257 3.586 ( 1.007 0.191 2.722) 2.908 3.629 ( 0.609 0.537 -0.345) 0.882 3.663 ( 2.332 -0.628 0.392) 2.447 3.862 ( 2.234 0.032 -1.260) 2.565 3.887 ( 3.740 -0.919 0.861) 3.946 4.203 ( -1.467 -0.130 -0.043) 1.474 4.225 ( -2.061 -0.643 -0.512) 2.219 4.339 ( 1.882 -0.327 0.245) 1.926 4.365 ( 1.436 -1.203 0.086) 1.875 4.593 ( -2.789 0.250 1.214) 3.052 4.608 ( -2.658 -0.264 0.012) 2.671 5.183 ( -0.854 1.058 -0.880) 1.619 5.235 ( 0.719 -1.193 0.489) 1.476 6.424 ( -0.912 0.680 0.126) 1.144 6.440 ( -0.495 0.105 0.372) 0.628 8.650 ( -0.979 1.016 -0.700) 1.575 8.685 ( 0.185 -0.581 0.497) 0.786 13.266 ( 1.611 0.583 -1.384) 2.202 13.313 ( 2.078 -0.842 0.374) 2.273 13.384 ( -2.242 2.480 -0.222) 3.350 13.457 ( -0.081 -0.430 -0.475) 0.646 13.605 ( -1.516 1.869 0.802) 2.537 13.672 ( -2.498 0.512 -0.119) 2.553 13.757 ( -1.842 0.014 0.517) 1.913 13.829 ( -1.383 -2.030 0.736) 2.564 13.969 ( 0.710 0.482 0.131) 0.868 13.999 ( 0.546 -0.347 0.386) 0.754 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.329 3.820 -10.391) 11.076 0.971 ( 3.514 7.052 2.385) 8.232 1.016 ( 4.168 -0.850 -5.333) 6.822 1.184 ( -3.036 -0.758 6.603) 7.307 1.258 ( -2.340 -4.649 1.517) 5.421 1.318 ( 3.191 -7.991 -0.106) 8.605 1.457 ( 2.029 -2.546 0.577) 3.306 1.634 ( 0.319 -5.344 1.526) 5.566 1.710 ( -2.995 1.777 1.784) 3.913 1.821 ( 1.615 0.586 -2.507) 3.039 1.960 ( -3.272 0.097 0.229) 3.281 2.012 ( -1.572 -0.412 1.018) 1.917 2.070 ( 1.299 1.834 2.707) 3.518 2.146 ( -1.017 1.857 -3.091) 3.746 2.277 ( -0.505 0.694 0.610) 1.054 2.336 ( 1.412 -0.875 -4.645) 4.933 2.354 ( 1.635 -1.487 1.161) 2.497 2.405 ( 0.817 -2.341 3.989) 4.697 2.532 ( 3.239 2.926 -2.166) 4.873 2.572 ( 2.767 5.017 3.483) 6.705 2.619 ( 0.834 3.143 2.936) 4.381 2.720 ( 0.607 -4.096 -2.309) 4.741 2.799 ( 1.463 0.516 0.728) 1.713 2.865 ( 2.851 -1.685 -1.051) 3.475 2.959 ( -0.397 0.177 -1.083) 1.167 2.986 ( -2.649 -1.277 1.091) 3.137 3.037 ( 2.879 5.826 -1.403) 6.648 3.223 ( 3.022 1.573 2.081) 3.992 3.271 ( 1.866 -0.388 -1.058) 2.179 3.359 ( 2.163 -2.216 -0.064) 3.098 3.498 ( 2.451 0.257 -1.537) 2.905 3.511 ( 1.413 0.370 -2.357) 2.773 3.594 ( 1.355 -0.431 0.584) 1.537 3.623 ( 0.447 -0.177 1.244) 1.334 3.645 ( 1.412 1.073 0.113) 1.776 3.683 ( 0.670 -1.098 -0.370) 1.338 3.892 ( 2.318 1.610 -0.181) 2.828 3.951 ( 2.893 -0.862 0.545) 3.067 4.173 ( -1.503 -0.624 -0.641) 1.749 4.189 ( -2.221 -0.879 0.366) 2.416 4.369 ( 1.652 -0.166 0.022) 1.660 4.390 ( 1.394 -0.980 0.083) 1.706 4.558 ( -2.588 0.277 0.658) 2.684 4.569 ( -2.483 -0.037 0.374) 2.511 5.167 ( -0.361 1.653 -0.194) 1.703 5.249 ( 0.491 -1.782 0.255) 1.866 6.410 ( -0.795 0.819 -0.142) 1.150 6.433 ( -0.558 -0.065 -0.091) 0.569 8.631 ( -0.536 1.443 -0.351) 1.579 8.690 ( 0.052 -1.051 0.085) 1.056 13.279 ( 1.485 1.094 -0.625) 1.947 13.340 ( 0.676 -1.052 0.168) 1.262 13.347 ( -2.309 3.095 1.268) 4.064 13.442 ( -1.190 -0.717 0.164) 1.399 13.598 ( -0.493 1.192 0.203) 1.305 13.636 ( -2.200 0.396 0.371) 2.266 13.737 ( -0.860 1.062 -0.551) 1.474 13.805 ( -1.525 -1.263 -0.624) 2.076 13.982 ( 0.764 -0.017 -0.067) 0.767 14.016 ( 1.176 -0.961 0.010) 1.518 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 6.092 2.817 0.983) 6.783 1.013 ( 0.815 4.825 -1.298) 5.063 1.028 ( 3.280 -0.500 -4.457) 5.556 1.185 ( -4.244 -1.518 6.285) 7.734 1.276 ( -0.165 -5.001 6.208) 7.974 1.368 ( 2.891 -7.718 -1.667) 8.409 1.469 ( 0.012 -2.042 -0.222) 2.054 1.586 ( -4.365 -5.599 -1.735) 7.308 1.758 ( 0.537 5.903 2.176) 6.314 1.809 ( 0.812 2.582 -2.566) 3.730 1.853 ( -1.095 0.901 -0.638) 1.555 2.060 ( -0.728 -2.174 0.396) 2.327 2.083 ( -2.044 -0.643 -0.828) 2.297 2.138 ( 0.743 0.307 3.307) 3.403 2.252 ( -0.100 -0.423 -3.377) 3.404 2.265 ( 0.393 -1.757 -8.377) 8.568 2.369 ( -0.498 0.074 0.293) 0.583 2.452 ( -0.041 -1.132 1.854) 2.173 2.560 ( 1.946 2.264 -0.770) 3.084 2.626 ( -1.774 2.513 -0.498) 3.116 2.641 ( -0.694 5.000 4.446) 6.727 2.723 ( 2.773 -0.253 0.558) 2.840 2.852 ( 3.425 0.396 0.671) 3.513 2.924 ( 1.032 -2.159 2.856) 3.726 2.928 ( 0.065 -0.380 -1.457) 1.508 2.958 ( -2.354 -1.044 1.879) 3.187 3.070 ( 1.872 6.793 0.026) 7.046 3.251 ( -0.884 2.446 1.519) 3.012 3.313 ( 2.729 -1.778 0.378) 3.279 3.377 ( 0.210 -3.733 -0.013) 3.739 3.504 ( 2.208 0.754 -3.153) 3.922 3.529 ( 1.679 -0.089 -0.975) 1.944 3.611 ( -0.544 0.105 0.010) 0.554 3.619 ( -0.196 -0.821 -0.717) 1.108 3.673 ( 1.136 0.521 0.728) 1.447 3.690 ( 0.070 -0.331 0.619) 0.705 3.922 ( 1.082 1.667 0.342) 2.017 3.982 ( 0.648 -0.829 -0.152) 1.063 4.149 ( -0.529 -0.510 -0.426) 0.849 4.169 ( -0.830 -1.008 0.678) 1.471 4.388 ( 0.621 -0.125 -0.003) 0.633 4.407 ( 0.568 -0.852 0.087) 1.027 4.532 ( -1.384 0.302 0.534) 1.514 4.541 ( -1.173 -0.012 0.189) 1.188 5.167 ( 0.113 1.634 0.558) 1.730 5.253 ( -0.039 -1.899 -0.358) 1.933 6.399 ( -0.270 0.865 -0.243) 0.938 6.423 ( -0.289 -0.052 -0.569) 0.640 8.627 ( 0.073 1.490 0.244) 1.512 8.688 ( -0.105 -1.074 -0.452) 1.170 13.303 ( 1.191 1.252 1.032) 2.013 13.334 ( -0.914 2.426 2.372) 3.514 13.357 ( -0.095 -0.236 1.345) 1.369 13.436 ( -0.533 -0.813 1.764) 2.014 13.587 ( -0.199 0.842 -1.209) 1.487 13.607 ( -1.463 0.539 -0.395) 1.608 13.713 ( -0.296 1.445 -2.356) 2.780 13.772 ( -0.607 -0.772 -2.275) 2.478 13.992 ( 0.409 -0.117 0.151) 0.451 14.029 ( 0.516 -1.338 -0.427) 1.496 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -4.920 7.466 -3.085) 9.458 1.026 ( 7.388 0.279 6.937) 10.138 1.060 ( 4.401 -2.371 -1.500) 5.219 1.191 ( -2.965 1.273 6.738) 7.471 1.335 ( -3.120 -6.030 -1.525) 6.958 1.357 ( -1.273 -5.979 2.143) 6.477 1.472 ( 2.156 -2.181 1.389) 3.366 1.516 ( 0.840 -3.631 -4.480) 5.827 1.719 ( -4.921 6.040 3.086) 8.380 1.802 ( 2.485 2.420 -2.912) 4.529 1.940 ( 5.392 -3.318 0.478) 6.349 1.983 ( -3.245 0.698 -4.231) 5.378 2.016 ( -5.619 -2.291 0.551) 6.093 2.162 ( 1.268 -2.667 -2.236) 3.704 2.212 ( 0.428 0.863 -2.562) 2.737 2.229 ( 0.147 -0.907 -1.903) 2.113 2.355 ( -1.572 0.275 0.041) 1.597 2.446 ( -0.974 -1.040 -0.736) 1.604 2.550 ( -1.368 3.460 -0.882) 3.823 2.611 ( 0.239 1.502 0.806) 1.721 2.656 ( -2.385 3.825 2.755) 5.283 2.776 ( 2.671 0.978 0.471) 2.883 2.876 ( -1.929 0.737 0.421) 2.107 2.919 ( 0.856 0.877 1.671) 2.072 2.941 ( -0.712 -1.129 0.067) 1.336 3.002 ( 1.241 -2.109 4.368) 5.007 3.088 ( -0.223 5.199 0.918) 5.284 3.248 ( -1.584 2.807 1.924) 3.754 3.337 ( 0.205 -2.891 -1.729) 3.375 3.367 ( -2.319 -2.111 1.715) 3.575 3.499 ( 1.356 -0.255 -3.816) 4.058 3.522 ( -0.211 -0.487 -2.428) 2.486 3.585 ( -1.186 1.045 -0.112) 1.584 3.621 ( -0.272 0.104 0.796) 0.848 3.674 ( -1.399 0.487 0.606) 1.601 3.702 ( 0.022 -0.406 0.229) 0.467 3.934 ( -0.321 0.195 1.045) 1.110 3.968 ( -1.668 -1.030 -0.863) 2.142 4.153 ( 0.989 0.021 0.316) 1.038 4.174 ( 0.901 -0.535 0.140) 1.057 4.388 ( -0.715 -0.102 0.200) 0.750 4.408 ( -0.545 -0.858 -0.062) 1.018 4.524 ( -0.020 0.459 0.388) 0.601 4.543 ( 1.068 -0.246 0.277) 1.130 5.182 ( 0.486 1.008 1.240) 1.670 5.241 ( -0.481 -1.494 -0.979) 1.849 6.397 ( 0.344 0.799 -0.207) 0.894 6.414 ( 0.196 0.152 -0.817) 0.854 8.637 ( 0.554 1.139 0.731) 1.463 8.677 ( -0.264 -0.572 -0.945) 1.136 13.337 ( 0.624 0.602 2.175) 2.341 13.363 ( 0.185 0.316 1.740) 1.778 13.365 ( -0.836 2.101 3.233) 3.945 13.463 ( 0.559 -0.513 2.783) 2.885 13.563 ( -0.173 0.850 -2.444) 2.593 13.596 ( 0.838 -0.240 0.285) 0.917 13.680 ( 0.588 1.950 -3.942) 4.437 13.741 ( 0.755 -0.745 -3.585) 3.738 13.996 ( -0.255 -0.170 0.338) 0.457 14.021 ( -0.775 -1.020 -0.680) 1.450 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -6.898 8.132 -3.214) 11.137 1.053 ( -6.600 1.091 -4.710) 8.181 1.141 ( 4.127 -0.497 0.381) 4.174 1.188 ( -6.645 -5.277 2.968) 8.990 1.318 ( 5.522 -0.359 4.201) 6.948 1.343 ( -1.751 -0.325 -0.017) 1.781 1.485 ( -0.137 -1.120 -1.367) 1.773 1.586 ( 5.280 -3.869 3.627) 7.483 1.692 ( -1.365 0.926 1.874) 2.497 1.809 ( 0.929 0.491 -2.947) 3.129 1.867 ( -4.129 -1.974 -3.236) 5.605 1.930 ( -4.132 -3.128 3.500) 6.253 2.053 ( 5.679 1.782 -2.365) 6.405 2.145 ( -3.258 0.963 -3.330) 4.757 2.190 ( 2.293 -2.736 -0.572) 3.615 2.224 ( 1.305 -0.651 0.708) 1.621 2.335 ( -0.784 -1.271 0.630) 1.621 2.415 ( -1.917 -2.919 0.006) 3.492 2.537 ( 0.908 5.642 -1.173) 5.834 2.618 ( -2.224 4.732 3.049) 6.053 2.645 ( -0.938 0.655 1.459) 1.854 2.802 ( -0.091 -1.755 -0.395) 1.802 2.869 ( 0.521 2.356 1.020) 2.620 2.896 ( -2.965 0.751 -0.292) 3.072 2.954 ( 0.174 1.911 -0.723) 2.050 3.030 ( -1.304 -0.863 1.139) 1.935 3.106 ( -1.117 -0.176 4.949) 5.076 3.242 ( -3.108 3.115 3.174) 5.426 3.267 ( -3.091 -2.792 -5.531) 6.924 3.341 ( -3.726 0.837 1.544) 4.119 3.453 ( -1.024 -0.705 -4.063) 4.248 3.501 ( 0.446 -2.210 -1.719) 2.835 3.574 ( -1.306 1.625 1.033) 2.327 3.623 ( -0.271 0.048 -0.152) 0.314 3.654 ( -1.587 0.748 0.355) 1.790 3.684 ( -2.007 -0.208 -0.097) 2.020 3.915 ( -3.220 -0.636 -0.989) 3.428 3.936 ( -1.351 -1.596 1.375) 2.502 4.179 ( 1.623 0.593 0.126) 1.732 4.201 ( 2.239 -0.156 0.037) 2.245 4.370 ( -1.788 0.024 0.202) 1.800 4.389 ( -1.589 -0.464 -0.087) 1.658 4.542 ( 1.594 0.368 0.384) 1.681 4.575 ( 2.271 -0.798 0.539) 2.467 5.205 ( 0.484 0.185 1.135) 1.248 5.222 ( -0.149 -0.617 -0.795) 1.018 6.404 ( 0.630 0.660 -0.217) 0.937 6.413 ( 0.650 0.361 -0.580) 0.943 8.656 ( 0.374 0.496 0.356) 0.716 8.662 ( 0.195 0.251 -0.708) 0.776 13.340 ( -2.497 0.033 -0.416) 2.531 13.353 ( -1.422 -1.068 1.733) 2.483 13.414 ( 0.440 2.759 3.327) 4.345 13.497 ( -0.235 -0.441 2.051) 2.111 13.554 ( 1.858 2.106 -0.467) 2.847 13.634 ( 2.323 0.573 -0.653) 2.480 13.671 ( 3.729 -0.048 -1.439) 3.997 13.724 ( 2.104 -0.795 -3.698) 4.328 13.990 ( -0.957 -0.229 0.303) 1.030 13.994 ( -1.458 -0.329 -0.665) 1.636 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -7.881 7.227 -0.588) 10.709 0.818 ( -7.062 5.413 -11.920) 14.875 1.126 ( -8.247 1.100 7.569) 11.248 1.206 ( 0.874 -1.534 -0.090) 1.768 1.317 ( -0.279 -1.552 -1.038) 1.888 1.361 ( 0.305 -2.976 -2.235) 3.734 1.535 ( 3.080 2.973 3.507) 5.534 1.641 ( -0.167 -0.281 0.495) 0.593 1.733 ( -2.539 -6.285 -1.659) 6.979 1.762 ( 4.692 -3.707 -0.664) 6.016 1.808 ( -1.565 0.891 -0.283) 1.823 1.929 ( -3.756 -2.135 7.416) 8.583 2.060 ( 0.773 0.876 -3.500) 3.690 2.127 ( -1.099 -1.538 -1.283) 2.284 2.163 ( 1.717 0.473 0.055) 1.782 2.306 ( 3.717 -3.506 0.001) 5.109 2.350 ( 1.691 0.633 0.202) 1.817 2.419 ( 2.317 -1.950 2.130) 3.702 2.539 ( 0.385 5.579 -0.616) 5.626 2.610 ( -1.124 3.766 1.452) 4.190 2.669 ( 0.436 1.544 3.515) 3.864 2.773 ( -1.752 -1.280 -1.965) 2.927 2.832 ( -3.897 1.701 -0.741) 4.316 2.879 ( 0.078 2.620 -2.594) 3.687 2.931 ( -1.751 1.379 0.853) 2.386 3.002 ( -3.322 -2.919 0.304) 4.433 3.114 ( -4.428 -2.407 -2.895) 5.812 3.144 ( -3.211 -2.408 1.468) 4.273 3.238 ( -1.412 3.329 1.701) 3.996 3.283 ( -3.687 2.220 -0.267) 4.312 3.411 ( -0.612 -0.893 -0.928) 1.426 3.492 ( -0.299 -1.622 -0.535) 1.734 3.556 ( -1.839 1.093 0.283) 2.158 3.602 ( -0.861 0.690 -0.911) 1.431 3.623 ( -1.658 -0.316 -1.257) 2.104 3.664 ( -1.368 -0.962 1.374) 2.164 3.855 ( -3.017 0.502 -0.406) 3.086 3.915 ( -2.810 -2.193 0.502) 3.600 4.201 ( 1.367 0.915 -0.661) 1.773 4.239 ( 2.129 -0.159 0.253) 2.150 4.339 ( -2.151 0.087 0.078) 2.154 4.365 ( -1.364 -0.219 0.241) 1.402 4.575 ( 1.785 0.345 0.449) 1.873 4.620 ( 2.311 -1.289 0.605) 2.715 5.201 ( -0.047 0.578 -0.873) 1.048 5.239 ( 0.919 -0.726 0.970) 1.521 6.412 ( 0.691 0.629 -0.191) 0.954 6.421 ( 0.644 0.323 0.003) 0.720 8.643 ( -0.211 1.102 -0.896) 1.436 8.684 ( 1.323 -0.382 0.551) 1.484 13.286 ( -2.715 0.265 -1.155) 2.962 13.332 ( -2.631 -2.251 0.761) 3.545 13.431 ( -1.033 2.273 0.983) 2.683 13.491 ( -1.627 -0.478 0.334) 1.728 13.614 ( 3.566 2.744 2.119) 4.973 13.658 ( 3.730 2.217 -2.419) 4.968 13.728 ( 2.453 -0.520 -1.635) 2.993 13.757 ( 4.445 -2.317 1.710) 5.296 13.962 ( -1.640 0.387 -0.254) 1.704 13.979 ( -0.871 -0.351 0.076) 0.943 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -6.893 9.247 0.985) 11.575 0.695 ( 1.057 10.067 -2.536) 10.436 1.058 ( -10.678 3.810 8.739) 14.315 1.182 ( -0.729 -1.523 -2.861) 3.322 1.313 ( 2.088 -4.786 -3.015) 6.030 1.341 ( -0.834 -3.033 -0.207) 3.152 1.583 ( 1.000 1.791 -2.143) 2.966 1.626 ( -0.768 -2.320 -1.695) 2.974 1.687 ( 0.447 -2.827 -0.732) 2.954 1.792 ( 0.372 -0.685 2.454) 2.575 1.848 ( 0.500 -2.772 2.507) 3.771 1.965 ( -2.491 -3.304 8.705) 9.639 2.065 ( 2.047 0.394 -0.571) 2.161 2.080 ( -0.916 0.042 -1.352) 1.634 2.206 ( 2.688 -0.629 0.009) 2.761 2.329 ( -0.523 -3.989 -0.813) 4.104 2.371 ( 1.947 3.522 -1.599) 4.331 2.492 ( 3.577 -0.724 -0.711) 3.718 2.550 ( 2.153 5.131 -0.640) 5.601 2.621 ( 1.708 2.909 -0.539) 3.416 2.686 ( -2.064 2.571 -3.774) 5.011 2.723 ( -1.371 -0.661 -0.021) 1.522 2.770 ( -4.154 -0.303 0.035) 4.166 2.836 ( -0.372 1.518 -0.510) 1.645 2.910 ( -2.025 -0.157 0.475) 2.086 2.917 ( -6.305 -2.457 -0.771) 6.811 3.030 ( 0.099 -1.335 -2.301) 2.662 3.124 ( -1.944 -1.950 1.149) 2.984 3.233 ( -1.143 0.866 0.102) 1.438 3.245 ( -1.520 1.941 1.743) 3.019 3.407 ( -0.171 -0.268 0.569) 0.652 3.479 ( -0.856 -0.208 0.349) 0.948 3.527 ( -1.126 0.675 -0.642) 1.461 3.577 ( -1.465 1.547 -0.208) 2.140 3.613 ( 1.040 -1.286 0.380) 1.697 3.654 ( -1.186 -1.706 0.401) 2.116 3.815 ( -1.673 1.025 -0.248) 1.978 3.862 ( -3.307 -1.336 -0.316) 3.580 4.208 ( 0.752 1.105 -0.918) 1.621 4.269 ( 1.161 -0.479 0.209) 1.273 4.310 ( -1.494 0.004 0.214) 1.509 4.352 ( -0.670 -0.464 0.264) 0.857 4.604 ( 1.002 0.511 0.641) 1.295 4.655 ( 1.238 -1.502 0.466) 2.002 5.196 ( 0.365 1.113 -0.500) 1.273 5.255 ( 0.464 -1.235 -0.273) 1.348 6.422 ( 0.563 0.607 0.204) 0.853 6.431 ( 0.274 0.237 0.376) 0.522 8.638 ( 0.196 1.502 -0.078) 1.517 8.708 ( 1.159 -1.320 -0.191) 1.767 13.243 ( -1.288 0.384 -0.598) 1.471 13.294 ( -2.631 -2.285 0.276) 3.496 13.419 ( -0.720 1.727 0.113) 1.875 13.463 ( -1.741 -0.264 -0.128) 1.765 13.682 ( 3.463 3.084 -0.643) 4.682 13.692 ( 1.890 2.202 -0.805) 3.011 13.757 ( 1.751 -0.599 1.114) 2.160 13.827 ( 1.961 -2.547 0.781) 3.308 13.942 ( -0.851 0.881 0.749) 1.435 13.970 ( -0.305 -0.577 0.385) 0.758 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 2.045 -7.530 5.318) 9.442 0.756 ( 2.045 7.530 5.318) 9.442 1.113 ( -1.887 -5.564 2.070) 6.229 1.113 ( -1.887 5.564 2.070) 6.229 1.238 ( 3.663 -1.638 -7.316) 8.345 1.238 ( 3.663 1.638 -7.316) 8.345 1.554 ( 0.930 -1.843 -3.209) 3.816 1.554 ( 0.930 1.843 -3.209) 3.816 1.747 ( -2.952 -2.854 1.423) 4.345 1.747 ( -2.952 2.854 1.423) 4.345 1.915 ( -4.137 -5.778 10.185) 12.419 1.915 ( -4.137 5.778 10.185) 12.419 2.127 ( 2.778 -0.865 2.294) 3.705 2.127 ( 2.778 0.865 2.294) 3.705 2.240 ( 0.596 -1.468 -0.104) 1.588 2.240 ( 0.596 1.468 -0.104) 1.588 2.442 ( 1.396 -3.545 -5.737) 6.887 2.442 ( 1.396 3.545 -5.737) 6.887 2.586 ( -3.065 -2.187 -2.905) 4.756 2.586 ( -3.065 2.187 -2.905) 4.756 2.673 ( -1.447 -1.246 -3.607) 4.081 2.673 ( -1.447 1.246 -3.607) 4.081 2.781 ( 1.955 -4.085 -2.445) 5.147 2.781 ( 1.955 4.085 -2.445) 5.147 2.888 ( 0.784 -1.116 1.161) 1.791 2.888 ( 0.784 1.116 1.161) 1.791 3.055 ( 0.154 -2.884 1.814) 3.410 3.055 ( 0.154 2.884 1.814) 3.410 3.253 ( -0.042 -0.656 1.658) 1.783 3.253 ( -0.042 0.656 1.658) 1.783 3.447 ( 0.915 -2.358 -0.035) 2.530 3.447 ( 0.915 2.358 -0.035) 2.530 3.565 ( -0.347 -2.571 0.987) 2.776 3.565 ( -0.347 2.571 0.987) 2.776 3.615 ( -0.306 -1.165 0.598) 1.345 3.615 ( -0.306 1.165 0.598) 1.345 3.814 ( -0.042 -0.773 -0.499) 0.921 3.814 ( -0.042 0.773 -0.499) 0.921 4.246 ( 0.245 -1.911 -0.106) 1.929 4.246 ( 0.245 1.911 -0.106) 1.929 4.317 ( -0.003 -1.565 -0.870) 1.790 4.317 ( -0.003 1.565 -0.870) 1.790 4.637 ( -0.384 -1.162 0.814) 1.470 4.637 ( -0.384 1.162 0.814) 1.470 5.222 ( -0.019 -1.113 -0.630) 1.279 5.222 ( -0.019 1.113 -0.630) 1.279 6.439 ( 0.037 -0.100 0.518) 0.529 6.439 ( 0.037 0.100 0.518) 0.529 8.677 ( 0.116 -1.555 -0.037) 1.559 8.677 ( 0.116 1.555 -0.037) 1.559 13.245 ( 0.108 -0.609 0.091) 0.626 13.245 ( 0.108 0.609 0.091) 0.626 13.438 ( -0.092 -0.679 -0.025) 0.686 13.438 ( -0.092 0.679 -0.025) 0.686 13.739 ( -0.815 -1.965 -0.899) 2.309 13.739 ( -0.815 1.965 -0.899) 2.309 13.781 ( 0.572 -2.271 0.235) 2.354 13.781 ( 0.572 2.271 0.235) 2.354 13.968 ( 0.070 -0.552 1.173) 1.299 13.968 ( 0.070 0.552 1.173) 1.299 ======================= Grid point 92 (49/92) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 4.596 -5.791 6.109) 9.591 0.874 ( 4.596 5.791 6.109) 9.591 1.113 ( 0.661 -6.696 -2.027) 7.027 1.113 ( 0.661 6.696 -2.027) 7.027 1.234 ( 4.146 -4.243 -5.381) 8.009 1.234 ( 4.146 4.243 -5.381) 8.009 1.516 ( -2.054 -5.426 -3.834) 6.954 1.516 ( -2.054 5.426 -3.834) 6.954 1.718 ( -2.458 -3.079 3.996) 5.611 1.718 ( -2.458 3.079 3.996) 5.611 1.968 ( -1.995 -1.654 8.803) 9.177 1.968 ( -1.995 1.654 8.803) 9.177 2.164 ( 0.452 -2.679 0.173) 2.722 2.164 ( 0.452 2.679 0.173) 2.722 2.254 ( 0.061 -2.884 0.982) 3.047 2.254 ( 0.061 2.884 0.982) 3.047 2.406 ( -1.489 -0.826 -2.005) 2.630 2.406 ( -1.489 0.826 -2.005) 2.630 2.533 ( 0.770 -0.566 -1.889) 2.117 2.533 ( 0.770 0.566 -1.889) 2.117 2.597 ( 0.246 -1.818 -5.370) 5.675 2.597 ( 0.246 1.818 -5.370) 5.675 2.834 ( 5.000 -1.242 -2.174) 5.592 2.834 ( 5.000 1.242 -2.174) 5.592 2.902 ( 1.608 -2.204 -0.443) 2.765 2.902 ( 1.608 2.204 -0.443) 2.765 3.078 ( 0.399 -1.520 0.975) 1.850 3.078 ( 0.399 1.520 0.975) 1.850 3.282 ( 0.668 -0.617 2.008) 2.205 3.282 ( 0.668 0.617 2.008) 2.205 3.469 ( 2.059 -1.619 -0.359) 2.644 3.469 ( 2.059 1.619 -0.359) 2.644 3.572 ( -0.154 -1.701 0.985) 1.971 3.572 ( -0.154 1.701 0.985) 1.971 3.625 ( 0.894 -0.359 0.444) 1.061 3.625 ( 0.894 0.359 0.444) 1.061 3.825 ( 2.046 -0.491 -0.377) 2.137 3.825 ( 2.046 0.491 -0.377) 2.137 4.241 ( -0.900 -1.343 -0.288) 1.642 4.241 ( -0.900 1.343 -0.288) 1.642 4.317 ( 1.262 -1.264 -0.678) 1.911 4.317 ( 1.262 1.264 -0.678) 1.911 4.629 ( -1.808 -0.787 0.846) 2.146 4.629 ( -1.808 0.787 0.846) 2.146 5.214 ( -0.190 -0.426 -0.511) 0.692 5.214 ( -0.190 0.426 -0.511) 0.692 6.442 ( -0.386 -0.187 0.485) 0.647 6.442 ( -0.386 0.187 0.485) 0.647 8.676 ( -0.246 -0.624 -0.052) 0.673 8.676 ( -0.246 0.624 -0.052) 0.673 13.260 ( 1.645 -0.470 -0.115) 1.715 13.260 ( 1.645 0.470 -0.115) 1.715 13.440 ( 0.310 -0.957 -0.233) 1.033 13.440 ( 0.310 0.957 -0.233) 1.033 13.697 ( -3.021 -2.596 -0.464) 4.010 13.697 ( -3.021 2.596 -0.464) 4.010 13.786 ( -0.294 -1.885 0.503) 1.973 13.786 ( -0.294 1.885 0.503) 1.973 13.980 ( 0.031 -0.687 0.823) 1.073 13.980 ( 0.031 0.687 0.823) 1.073 ======================= Grid point 94 (50/92) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 3.259 -5.517 2.961) 7.058 1.004 ( 3.259 5.517 2.961) 7.058 1.071 ( 2.736 -5.076 -8.342) 10.141 1.071 ( 2.736 5.076 -8.342) 10.141 1.224 ( -2.875 -5.829 0.245) 6.504 1.224 ( -2.875 5.829 0.245) 6.504 1.471 ( 2.040 -6.239 -1.341) 6.700 1.471 ( 2.040 6.239 -1.341) 6.700 1.744 ( -0.965 -0.358 4.601) 4.715 1.744 ( -0.965 0.358 4.601) 4.715 2.006 ( -1.676 -2.898 2.703) 4.303 2.006 ( -1.676 2.898 2.703) 4.303 2.177 ( -1.014 -3.591 0.520) 3.767 2.177 ( -1.014 3.591 0.520) 3.767 2.264 ( 1.145 -1.837 2.604) 3.386 2.264 ( 1.145 1.837 2.604) 3.386 2.350 ( -2.323 -2.265 -0.900) 3.367 2.350 ( -2.323 2.265 -0.900) 3.367 2.575 ( 3.763 -1.579 -0.622) 4.128 2.575 ( 3.763 1.579 -0.622) 4.128 2.587 ( 3.805 -3.016 -1.687) 5.140 2.587 ( 3.805 3.016 -1.687) 5.140 2.834 ( 0.152 -0.694 -2.943) 3.028 2.834 ( 0.152 0.694 -2.943) 3.028 2.959 ( 2.389 -0.762 0.944) 2.680 2.959 ( 2.389 0.762 0.944) 2.680 3.099 ( 3.260 -3.128 -0.855) 4.598 3.099 ( 3.260 3.128 -0.855) 4.598 3.302 ( 0.219 -1.654 0.477) 1.735 3.302 ( 0.219 1.654 0.477) 1.735 3.496 ( 2.251 -0.945 -1.574) 2.905 3.496 ( 2.251 0.945 -1.574) 2.905 3.585 ( 0.481 -0.311 1.218) 1.346 3.585 ( 0.481 0.311 1.218) 1.346 3.646 ( 1.079 -0.926 0.278) 1.449 3.646 ( 1.079 0.926 0.278) 1.449 3.869 ( 3.342 -0.677 0.287) 3.422 3.869 ( 3.342 0.677 0.287) 3.422 4.211 ( -2.012 -0.681 -0.568) 2.199 4.211 ( -2.012 0.681 -0.568) 2.199 4.342 ( 2.125 -0.732 -0.208) 2.257 4.342 ( 2.125 0.732 -0.208) 2.257 4.600 ( -2.667 -0.427 0.743) 2.802 4.600 ( -2.667 0.427 0.743) 2.802 5.208 ( -0.081 -1.265 -0.158) 1.278 5.208 ( -0.081 1.265 -0.158) 1.278 6.437 ( -0.690 -0.425 0.206) 0.836 6.437 ( -0.690 0.425 0.206) 0.836 8.670 ( -0.372 -0.833 -0.119) 0.920 8.670 ( -0.372 0.833 -0.119) 0.920 13.287 ( 1.951 -1.276 -0.522) 2.389 13.287 ( 1.951 1.276 -0.522) 2.389 13.433 ( -0.955 -1.809 -0.331) 2.072 13.433 ( -0.955 1.809 -0.331) 2.072 13.649 ( -2.747 -2.102 0.674) 3.525 13.649 ( -2.747 2.102 0.674) 3.525 13.783 ( -0.567 -2.088 0.240) 2.177 13.783 ( -0.567 2.088 0.240) 2.177 13.987 ( 0.197 -0.846 0.263) 0.908 13.987 ( 0.197 0.846 0.263) 0.908 ======================= Grid point 96 (51/92) ======================= q-point: ( 0.33 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.558 -4.604 -8.405) 9.600 0.949 ( 0.558 4.604 -8.405) 9.600 1.129 ( 4.201 -7.252 0.725) 8.413 1.129 ( 4.201 7.252 0.725) 8.413 1.188 ( -3.675 -2.444 4.427) 6.251 1.188 ( -3.675 2.444 4.427) 6.251 1.507 ( 0.908 -5.434 0.412) 5.525 1.507 ( 0.908 5.434 0.412) 5.525 1.783 ( 2.526 -3.664 0.751) 4.513 1.783 ( 2.526 3.664 0.751) 4.513 1.984 ( -2.547 -2.057 0.463) 3.306 1.984 ( -2.547 2.057 0.463) 3.306 2.139 ( -2.538 -3.006 0.811) 4.017 2.139 ( -2.538 3.006 0.811) 4.017 2.299 ( 0.520 -1.806 -4.268) 4.663 2.299 ( 0.520 1.806 -4.268) 4.663 2.357 ( 0.904 -1.387 5.137) 5.397 2.357 ( 0.904 1.387 5.137) 5.397 2.616 ( 3.549 -3.653 -2.222) 5.557 2.616 ( 3.549 3.653 -2.222) 5.557 2.651 ( 1.802 -1.161 2.968) 3.661 2.651 ( 1.802 1.161 2.968) 3.661 2.822 ( 2.151 -1.892 -1.322) 3.155 2.822 ( 2.151 1.892 -1.322) 3.155 2.965 ( -1.635 -0.742 0.477) 1.858 2.965 ( -1.635 0.742 0.477) 1.858 3.164 ( 4.957 -5.424 -1.063) 7.425 3.164 ( 4.957 5.424 -1.063) 7.425 3.305 ( -0.161 -2.723 0.413) 2.759 3.305 ( -0.161 2.723 0.413) 2.759 3.507 ( 2.128 -0.454 -2.241) 3.124 3.507 ( 2.128 0.454 -2.241) 3.124 3.605 ( 0.572 -1.174 0.253) 1.330 3.605 ( 0.572 1.174 0.253) 1.330 3.668 ( 0.861 -0.773 1.076) 1.580 3.668 ( 0.861 0.773 1.076) 1.580 3.926 ( 2.905 -1.432 0.293) 3.252 3.926 ( 2.905 1.432 0.293) 3.252 4.173 ( -1.995 -0.495 -0.306) 2.078 4.173 ( -1.995 0.495 -0.306) 2.078 4.372 ( 1.748 -0.527 -0.064) 1.826 4.372 ( 1.748 0.527 -0.064) 1.826 4.565 ( -2.506 -0.306 0.544) 2.582 4.565 ( -2.506 0.306 0.544) 2.582 5.207 ( 0.037 -2.035 0.053) 2.036 5.207 ( 0.037 2.035 0.053) 2.036 6.426 ( -0.664 -0.601 -0.133) 0.906 6.426 ( -0.664 0.601 -0.133) 0.906 8.663 ( -0.251 -1.456 -0.131) 1.483 8.663 ( -0.251 1.456 -0.131) 1.483 13.310 ( 1.454 -1.604 -0.275) 2.183 13.310 ( 1.454 1.604 -0.275) 2.183 13.409 ( -1.997 -2.408 0.752) 3.218 13.409 ( -1.997 2.408 0.752) 3.218 13.625 ( -1.535 -1.161 0.611) 2.019 13.625 ( -1.535 1.161 0.611) 2.019 13.771 ( -0.491 -1.849 -0.990) 2.154 13.771 ( -0.491 1.849 -0.990) 2.154 13.994 ( 0.560 -1.005 0.012) 1.150 13.994 ( 0.560 1.005 0.012) 1.150 ======================= Grid point 98 (52/92) ======================= q-point: ( 0.44 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 4.477 -4.718 -2.234) 6.878 0.930 ( 4.477 4.718 -2.234) 6.878 1.175 ( -1.244 -4.339 2.435) 5.129 1.175 ( -1.244 4.339 2.435) 5.129 1.202 ( 0.070 -6.109 3.741) 7.164 1.202 ( 0.070 6.109 3.741) 7.164 1.493 ( -1.041 -3.130 -1.708) 3.715 1.493 ( -1.041 3.130 -1.708) 3.715 1.826 ( 3.311 -1.497 -2.023) 4.159 1.826 ( 3.311 1.497 -2.023) 4.159 1.949 ( -3.305 -6.198 1.383) 7.159 1.949 ( -3.305 6.198 1.383) 7.159 2.121 ( -2.032 -2.003 0.829) 2.971 2.121 ( -2.032 2.003 0.829) 2.971 2.244 ( 0.632 -0.225 -5.885) 5.924 2.244 ( 0.632 0.225 -5.885) 5.924 2.402 ( -0.910 -2.596 3.180) 4.205 2.402 ( -0.910 2.596 3.180) 4.205 2.617 ( 1.262 -2.375 -3.236) 4.208 2.617 ( 1.262 2.375 -3.236) 4.208 2.717 ( 0.713 -1.614 4.093) 4.457 2.717 ( 0.713 1.614 4.093) 4.457 2.872 ( 3.428 -1.969 1.306) 4.163 2.872 ( 3.428 1.969 1.306) 4.163 2.938 ( -2.155 -0.938 0.680) 2.446 2.938 ( -2.155 0.938 0.680) 2.446 3.213 ( 2.970 -6.310 -1.659) 7.168 3.213 ( 2.970 6.310 -1.659) 7.168 3.309 ( -0.926 -2.967 1.860) 3.622 3.309 ( -0.926 2.967 1.860) 3.622 3.521 ( 2.148 -0.714 -2.303) 3.229 3.521 ( 2.148 0.714 -2.303) 3.229 3.608 ( -0.008 -0.077 -0.109) 0.134 3.608 ( -0.008 0.077 -0.109) 0.134 3.688 ( -0.108 -0.311 1.276) 1.318 3.688 ( -0.108 0.311 1.276) 1.318 3.957 ( 0.854 -1.503 -0.366) 1.767 3.957 ( 0.854 1.503 -0.366) 1.767 4.150 ( -0.579 -0.572 0.287) 0.863 4.150 ( -0.579 0.572 0.287) 0.863 4.392 ( 0.661 -0.499 -0.052) 0.830 4.392 ( 0.661 0.499 -0.052) 0.830 4.538 ( -1.263 -0.242 0.368) 1.337 4.538 ( -1.263 0.242 0.368) 1.337 5.208 ( -0.005 -2.130 0.034) 2.130 5.208 ( -0.005 2.130 0.034) 2.130 6.416 ( -0.259 -0.604 -0.375) 0.757 6.416 ( -0.259 0.604 -0.375) 0.757 8.660 ( -0.014 -1.506 -0.054) 1.508 8.660 ( -0.014 1.506 -0.054) 1.508 13.331 ( 0.958 -1.323 0.689) 1.773 13.331 ( 0.958 1.323 0.689) 1.773 13.399 ( -1.120 -2.525 2.559) 3.765 13.399 ( -1.120 2.525 2.559) 3.765 13.604 ( -1.037 -0.619 -0.703) 1.397 13.604 ( -1.037 0.619 -0.703) 1.397 13.748 ( -0.010 -1.523 -2.622) 3.032 13.748 ( -0.010 1.523 -2.622) 3.032 14.002 ( 0.322 -1.030 0.014) 1.079 14.002 ( 0.322 1.030 0.014) 1.079 ======================= Grid point 100 (53/92) ======================= q-point: (-0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 5.485 -1.435 0.959) 5.750 1.017 ( 5.485 1.435 0.959) 5.750 1.127 ( -4.945 -7.747 -0.797) 9.225 1.127 ( -4.945 7.747 -0.797) 9.225 1.275 ( 1.572 -3.611 6.436) 7.546 1.275 ( 1.572 3.611 6.436) 7.546 1.464 ( 0.565 -1.140 -2.223) 2.561 1.464 ( 0.565 1.140 -2.223) 2.561 1.850 ( 0.541 -4.057 0.055) 4.093 1.850 ( 0.541 4.057 0.055) 4.093 1.884 ( -4.038 -5.140 -2.215) 6.902 1.884 ( -4.038 5.140 -2.215) 6.902 2.086 ( 0.377 -4.250 -2.082) 4.747 2.086 ( 0.377 4.250 -2.082) 4.747 2.219 ( 0.340 -0.032 -1.751) 1.784 2.219 ( 0.340 0.032 -1.751) 1.784 2.395 ( -2.531 -2.743 0.604) 3.781 2.395 ( -2.531 2.743 0.604) 3.781 2.613 ( 1.432 -1.308 -1.257) 2.311 2.613 ( 1.432 1.308 -1.257) 2.311 2.739 ( -1.830 -3.519 2.235) 4.553 2.739 ( -1.830 3.519 2.235) 4.553 2.908 ( -1.214 -1.819 0.844) 2.344 2.908 ( -1.214 1.819 0.844) 2.344 2.950 ( 1.623 -2.162 3.050) 4.075 2.950 ( 1.623 2.162 3.050) 4.075 3.219 ( -0.009 -6.401 -1.981) 6.701 3.219 ( -0.009 6.401 -1.981) 6.701 3.315 ( -1.371 -3.230 2.639) 4.390 3.315 ( -1.371 3.230 2.639) 4.390 3.510 ( 0.424 -0.782 -3.959) 4.058 3.510 ( 0.424 0.782 -3.959) 4.058 3.609 ( -0.376 -0.984 0.938) 1.410 3.609 ( -0.376 0.984 0.938) 1.410 3.691 ( -1.157 -0.705 1.166) 1.787 3.691 ( -1.157 0.705 1.166) 1.787 3.946 ( -1.304 -0.883 -0.610) 1.689 3.946 ( -1.304 0.883 -0.610) 1.689 4.161 ( 1.254 -0.633 0.500) 1.491 4.161 ( 1.254 0.633 0.500) 1.491 4.392 ( -0.508 -0.498 -0.057) 0.714 4.392 ( -0.508 0.498 -0.057) 0.714 4.535 ( 0.415 -0.469 0.337) 0.711 4.535 ( 0.415 0.469 0.337) 0.711 5.208 ( 0.011 -1.453 0.029) 1.454 5.208 ( 0.011 1.453 0.029) 1.454 6.411 ( 0.284 -0.430 -0.464) 0.693 6.411 ( 0.284 0.430 -0.464) 0.693 8.661 ( 0.162 -0.975 -0.036) 0.990 8.661 ( 0.162 0.975 -0.036) 0.990 13.350 ( -0.180 -0.731 1.248) 1.458 13.350 ( -0.180 0.731 1.248) 1.458 13.428 ( 0.341 -2.618 3.698) 4.543 13.428 ( 0.341 2.618 3.698) 4.543 13.583 ( 0.113 -0.890 -1.147) 1.456 13.583 ( 0.113 0.890 -1.147) 1.456 13.718 ( 0.838 -1.471 -3.940) 4.289 13.718 ( 0.838 1.471 -3.940) 4.289 14.002 ( -0.435 -0.680 0.019) 0.807 14.002 ( -0.435 0.680 0.019) 0.807 ======================= Grid point 102 (54/92) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -5.994 -6.991 -5.757) 10.860 0.973 ( -5.994 6.991 -5.757) 10.860 1.132 ( 0.963 -0.394 4.704) 4.818 1.132 ( 0.963 0.394 4.704) 4.818 1.335 ( 1.551 -1.729 -1.741) 2.903 1.335 ( 1.551 1.729 -1.741) 2.903 1.499 ( 3.481 -2.897 3.954) 6.012 1.499 ( 3.481 2.897 3.954) 6.012 1.767 ( -5.185 -3.961 -1.485) 6.692 1.767 ( -5.185 3.961 -1.485) 6.692 1.869 ( -0.883 -1.628 0.814) 2.023 1.869 ( -0.883 1.628 0.814) 2.023 2.112 ( 3.751 -3.154 -1.612) 5.159 2.112 ( 3.751 3.154 -1.612) 5.159 2.189 ( -1.353 -1.713 -1.342) 2.563 2.189 ( -1.353 1.713 -1.342) 2.563 2.356 ( -1.785 -2.278 0.566) 2.949 2.356 ( -1.785 2.278 0.566) 2.949 2.632 ( 1.363 -2.306 0.078) 2.680 2.632 ( 1.363 2.306 0.078) 2.680 2.721 ( -2.733 -4.845 1.820) 5.853 2.721 ( -2.733 4.845 1.820) 5.853 2.905 ( -0.377 -0.514 0.867) 1.076 2.905 ( -0.377 0.514 0.867) 1.076 2.984 ( -0.913 -2.108 1.625) 2.814 2.984 ( -0.913 2.108 1.625) 2.814 3.171 ( -3.181 -4.931 -2.119) 6.239 3.171 ( -3.181 4.931 -2.119) 6.239 3.316 ( -2.178 -2.847 2.473) 4.355 3.316 ( -2.178 2.847 2.473) 4.355 3.462 ( -0.318 -1.194 -4.082) 4.265 3.462 ( -0.318 1.194 -4.082) 4.265 3.610 ( -0.916 -1.209 0.869) 1.748 3.610 ( -0.916 1.209 0.869) 1.748 3.673 ( -2.207 -0.790 0.351) 2.370 3.673 ( -2.207 0.790 0.351) 2.370 3.912 ( -2.339 -0.484 0.081) 2.389 3.912 ( -2.339 0.484 0.081) 2.389 4.193 ( 2.143 -0.603 0.146) 2.231 4.193 ( 2.143 0.603 0.146) 2.231 4.375 ( -1.456 -0.542 -0.019) 1.553 4.375 ( -1.456 0.542 -0.019) 1.553 4.557 ( 1.697 -0.875 0.418) 1.955 4.557 ( 1.697 0.875 0.418) 1.955 5.211 ( 0.257 -0.402 0.141) 0.498 5.211 ( 0.257 0.402 0.141) 0.498 6.414 ( 0.628 -0.263 -0.382) 0.781 6.414 ( 0.628 0.263 -0.382) 0.781 8.663 ( 0.279 -0.144 -0.128) 0.339 8.663 ( 0.279 0.144 -0.128) 0.339 13.340 ( -2.154 -0.236 0.362) 2.197 13.340 ( -2.154 0.236 0.362) 2.197 13.470 ( -0.057 -2.091 2.636) 3.365 13.470 ( -0.057 2.091 2.636) 3.365 13.602 ( 2.677 -2.292 0.924) 3.643 13.602 ( 2.677 2.292 0.924) 3.643 13.699 ( 2.301 -1.570 -3.877) 4.774 13.699 ( 2.301 1.570 -3.877) 4.774 13.990 ( -0.994 -0.105 -0.085) 1.003 13.990 ( -0.994 0.105 -0.085) 1.003 ======================= Grid point 104 (55/92) ======================= q-point: (-0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -5.976 -5.206 -4.794) 9.263 0.812 ( -5.976 5.206 -4.794) 9.263 1.161 ( -2.848 -2.845 3.496) 5.331 1.161 ( -2.848 2.845 3.496) 5.331 1.317 ( 1.617 -3.409 -5.400) 6.587 1.317 ( 1.617 3.409 -5.400) 6.587 1.609 ( 2.815 -3.633 3.621) 5.851 1.609 ( 2.815 3.633 3.621) 5.851 1.699 ( -0.269 -2.590 -2.082) 3.334 1.699 ( -0.269 2.590 -2.082) 3.334 1.851 ( -5.224 -4.066 5.976) 8.918 1.851 ( -5.224 4.066 5.976) 8.918 2.085 ( -0.729 -1.633 -3.390) 3.833 2.085 ( -0.729 1.633 -3.390) 3.833 2.216 ( 2.247 -3.724 0.332) 4.363 2.216 ( 2.247 3.724 0.332) 4.363 2.384 ( 3.844 -1.444 1.739) 4.459 2.384 ( 3.844 1.444 1.739) 4.459 2.644 ( -0.078 -1.915 -0.051) 1.917 2.644 ( -0.078 1.915 -0.051) 1.917 2.707 ( -1.174 -3.111 1.867) 3.813 2.707 ( -1.174 3.111 1.867) 3.813 2.889 ( -2.218 -2.286 -2.005) 3.764 2.889 ( -2.218 2.286 -2.005) 3.764 2.960 ( -2.814 -1.000 0.439) 3.019 2.960 ( -2.814 1.000 0.439) 3.019 3.089 ( -3.626 -1.479 -1.700) 4.269 3.089 ( -3.626 1.479 -1.700) 4.269 3.291 ( -3.130 -1.298 1.112) 3.566 3.291 ( -3.130 1.298 1.112) 3.566 3.435 ( 0.598 -2.761 -1.267) 3.096 3.435 ( 0.598 2.761 -1.267) 3.096 3.592 ( -1.577 -1.402 -0.552) 2.181 3.592 ( -1.577 1.402 -0.552) 2.181 3.638 ( -2.256 -1.357 0.675) 2.717 3.638 ( -2.256 1.357 0.675) 2.717 3.876 ( -2.628 -1.422 0.356) 3.010 3.876 ( -2.628 1.422 0.356) 3.010 4.225 ( 1.798 -1.120 -0.340) 2.145 4.225 ( 1.798 1.120 -0.340) 2.145 4.350 ( -1.558 -0.863 -0.039) 1.782 4.350 ( -1.558 0.863 -0.039) 1.782 4.592 ( 1.916 -1.155 0.570) 2.308 4.592 ( 1.916 1.155 0.570) 2.308 5.219 ( 0.481 -1.007 0.085) 1.119 5.219 ( 0.481 1.007 0.085) 1.119 6.422 ( 0.641 -0.265 -0.113) 0.703 6.422 ( 0.641 0.265 -0.113) 0.703 8.667 ( 0.429 -1.068 -0.164) 1.163 8.667 ( 0.429 1.068 -0.164) 1.163 13.298 ( -2.722 -0.981 -0.321) 2.911 13.298 ( -2.722 0.981 -0.321) 2.911 13.472 ( -1.515 -1.419 0.545) 2.146 13.472 ( -1.515 1.419 0.545) 2.146 13.674 ( 3.609 -2.148 1.867) 4.597 13.674 ( 3.609 2.148 1.867) 4.597 13.716 ( 3.479 -0.891 -1.846) 4.038 13.716 ( 3.479 0.891 -1.846) 4.038 13.972 ( -1.036 -0.417 -0.087) 1.121 13.972 ( -1.036 0.417 -0.087) 1.121 ======================= Grid point 106 (56/92) ======================= q-point: (-0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -1.963 -6.818 0.434) 7.109 0.719 ( -1.963 6.818 0.434) 7.109 1.136 ( -3.702 -4.840 2.613) 6.630 1.136 ( -3.702 4.840 2.613) 6.630 1.274 ( 1.120 -3.628 -6.314) 7.368 1.274 ( 1.120 3.628 -6.314) 7.368 1.593 ( -0.884 -0.951 -4.285) 4.477 1.593 ( -0.884 0.951 -4.285) 4.477 1.742 ( 1.006 -4.753 2.881) 5.648 1.742 ( 1.006 4.753 2.881) 5.648 1.864 ( -2.950 -4.588 9.424) 10.889 1.864 ( -2.950 4.588 9.424) 10.889 2.074 ( 2.047 -0.631 -0.800) 2.286 2.074 ( 2.047 0.631 -0.800) 2.286 2.233 ( 0.099 -3.480 0.476) 3.514 2.233 ( 0.099 3.480 0.476) 3.514 2.457 ( 3.549 -2.872 -2.348) 5.134 2.457 ( 3.549 2.872 -2.348) 5.134 2.640 ( 0.095 -2.651 -0.895) 2.800 2.640 ( 0.095 2.651 -0.895) 2.800 2.705 ( -0.837 -0.392 -1.129) 1.459 2.705 ( -0.837 0.392 -1.129) 1.459 2.814 ( -1.733 -3.671 -2.269) 4.650 2.814 ( -1.733 3.671 -2.269) 4.650 2.902 ( -4.591 -1.109 0.426) 4.742 2.902 ( -4.591 1.109 0.426) 4.742 3.047 ( -0.717 -3.399 0.213) 3.480 3.047 ( -0.717 3.399 0.213) 3.480 3.256 ( -1.840 -0.828 0.520) 2.084 3.256 ( -1.840 0.828 0.520) 2.084 3.438 ( 0.280 -2.533 0.060) 2.549 3.438 ( 0.280 2.533 0.060) 2.549 3.567 ( -0.831 -2.163 0.121) 2.321 3.567 ( -0.831 2.163 0.121) 2.321 3.619 ( -1.254 -1.580 0.861) 2.194 3.619 ( -1.254 1.580 0.861) 2.194 3.837 ( -2.164 -1.080 -0.171) 2.425 3.837 ( -2.164 1.080 -0.171) 2.425 4.241 ( 0.776 -1.743 -0.428) 1.955 4.241 ( 0.776 1.743 -0.428) 1.955 4.330 ( -0.704 -1.346 -0.357) 1.560 4.330 ( -0.704 1.346 -0.357) 1.560 4.624 ( 1.044 -1.296 0.703) 1.806 4.624 ( 1.044 1.296 0.703) 1.806 5.225 ( 0.349 -1.489 -0.306) 1.560 5.225 ( 0.349 1.489 -0.306) 1.560 6.431 ( 0.408 -0.228 0.260) 0.535 6.431 ( 0.408 0.228 0.260) 0.535 8.673 ( 0.438 -1.767 -0.091) 1.823 8.673 ( 0.438 1.767 -0.091) 1.823 13.258 ( -1.732 -1.121 -0.149) 2.069 13.258 ( -1.732 1.121 -0.149) 2.069 13.449 ( -1.256 -1.038 -0.080) 1.632 13.449 ( -1.256 1.038 -0.080) 1.632 13.732 ( 2.203 -1.419 -0.023) 2.621 13.732 ( 2.203 1.419 -0.023) 2.621 13.758 ( 2.280 -3.446 0.115) 4.134 13.758 ( 2.280 3.446 0.115) 4.134 13.960 ( -0.503 -0.624 0.552) 0.973 13.960 ( -0.503 0.624 0.552) 0.973 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -5.835 0.000 14.997) 16.093 0.776 ( -3.546 0.000 17.035) 17.401 0.966 ( 6.346 0.000 -8.652) 10.730 1.124 ( 1.240 0.000 -15.302) 15.352 1.230 ( -2.524 0.000 21.671) 21.817 1.513 ( 4.072 0.000 -7.395) 8.442 1.598 ( -6.360 0.000 6.408) 9.028 1.679 ( -0.627 0.000 0.587) 0.859 1.741 ( 1.049 0.000 -3.932) 4.069 1.855 ( -0.893 0.000 -14.022) 14.051 1.920 ( -1.117 0.000 -0.892) 1.430 1.931 ( 6.722 0.000 -4.124) 7.887 2.030 ( -2.430 0.000 8.739) 9.070 2.163 ( 0.850 0.000 -2.880) 3.003 2.198 ( 1.073 0.000 4.871) 4.988 2.277 ( 1.181 0.000 -3.998) 4.169 2.382 ( -0.347 0.000 3.922) 3.937 2.427 ( 1.689 0.000 -2.309) 2.861 2.533 ( 2.713 0.000 2.339) 3.582 2.535 ( -1.944 0.000 0.407) 1.986 2.625 ( -5.743 0.000 -2.116) 6.120 2.638 ( 3.282 0.000 -2.153) 3.926 2.754 ( -2.289 0.000 3.424) 4.118 2.812 ( 2.814 0.000 -2.830) 3.991 2.819 ( -3.078 0.000 0.160) 3.082 2.834 ( 0.644 0.000 -1.299) 1.450 3.130 ( 0.316 0.000 1.860) 1.887 3.137 ( 2.197 0.000 0.160) 2.202 3.173 ( -0.408 0.000 0.703) 0.813 3.219 ( -3.355 0.000 -3.095) 4.564 3.464 ( -2.519 0.000 0.616) 2.593 3.476 ( 1.224 0.000 0.780) 1.451 3.529 ( 1.262 0.000 1.696) 2.114 3.532 ( 2.410 0.000 2.497) 3.470 3.590 ( -1.891 0.000 -3.047) 3.586 3.601 ( 0.317 0.000 -4.413) 4.424 3.821 ( 1.484 0.000 1.593) 2.177 3.843 ( -0.264 0.000 -0.735) 0.781 4.272 ( 0.836 0.000 1.356) 1.593 4.293 ( -0.833 0.000 -0.548) 0.997 4.363 ( -1.132 0.000 1.713) 2.053 4.381 ( 0.012 0.000 -0.302) 0.303 4.638 ( 0.422 0.000 1.309) 1.375 4.668 ( -0.488 0.000 -1.663) 1.733 5.205 ( 2.118 0.000 0.634) 2.211 5.216 ( -2.020 0.000 -0.471) 2.074 6.429 ( 0.380 0.000 0.626) 0.732 6.434 ( -0.450 0.000 0.144) 0.472 8.663 ( -1.463 0.000 0.115) 1.467 8.667 ( 1.648 0.000 -0.245) 1.666 13.251 ( 1.114 0.000 1.368) 1.764 13.283 ( -1.686 0.000 -1.817) 2.479 13.396 ( -2.528 0.000 0.527) 2.582 13.402 ( 1.910 0.000 -0.124) 1.914 13.602 ( -2.100 0.000 1.689) 2.695 13.633 ( 2.306 0.000 -1.395) 2.695 13.847 ( -2.585 0.000 0.269) 2.599 13.859 ( 2.588 0.000 -0.971) 2.765 14.007 ( -0.703 0.000 0.838) 1.094 14.019 ( 0.622 0.000 -0.385) 0.732 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -3.363 0.000 13.864) 14.266 0.840 ( -1.575 0.000 6.939) 7.115 0.914 ( -4.717 0.000 -18.433) 19.027 0.999 ( 4.501 0.000 -0.941) 4.598 1.420 ( 0.636 0.000 6.631) 6.661 1.516 ( 8.139 0.000 -9.307) 12.364 1.596 ( -4.465 0.000 12.019) 12.822 1.699 ( 1.363 0.000 -1.798) 2.256 1.771 ( 5.800 0.000 -7.115) 9.180 1.780 ( 3.971 0.000 2.492) 4.688 1.907 ( 1.740 0.000 1.296) 2.169 1.962 ( 1.979 0.000 -5.230) 5.592 2.072 ( -3.422 0.000 8.122) 8.813 2.121 ( 1.445 0.000 -6.354) 6.516 2.265 ( 1.754 0.000 3.119) 3.579 2.266 ( 3.651 0.000 -5.126) 6.293 2.316 ( -8.091 0.000 -0.217) 8.094 2.359 ( -5.563 0.000 -2.192) 5.979 2.529 ( -0.082 0.000 1.060) 1.064 2.546 ( -1.111 0.000 0.474) 1.207 2.594 ( -0.923 0.000 2.426) 2.596 2.668 ( 0.119 0.000 -1.467) 1.472 2.770 ( 1.996 0.000 3.948) 4.424 2.839 ( 6.361 0.000 -3.378) 7.202 2.842 ( 2.198 0.000 1.525) 2.676 2.911 ( 6.785 0.000 1.208) 6.892 3.105 ( -5.873 0.000 -1.535) 6.070 3.110 ( -1.343 0.000 -0.899) 1.616 3.190 ( -2.025 0.000 3.451) 4.001 3.192 ( 3.363 0.000 0.585) 3.414 3.470 ( 1.376 0.000 1.410) 1.970 3.527 ( -1.461 0.000 -3.042) 3.375 3.533 ( 4.939 0.000 0.497) 4.964 3.555 ( 0.363 0.000 -3.825) 3.842 3.578 ( 1.572 0.000 2.003) 2.546 3.608 ( 3.214 0.000 1.703) 3.637 3.829 ( 0.322 0.000 -2.302) 2.324 3.865 ( 2.794 0.000 0.588) 2.856 4.266 ( -1.304 0.000 -1.145) 1.735 4.291 ( -0.432 0.000 1.217) 1.291 4.361 ( -1.043 0.000 1.160) 1.560 4.381 ( 0.228 0.000 0.131) 0.263 4.630 ( -1.974 0.000 -1.515) 2.488 4.644 ( -1.583 0.000 1.716) 2.335 5.175 ( -2.106 0.000 -0.650) 2.204 5.243 ( 1.831 0.000 0.496) 1.897 6.423 ( -0.876 0.000 -0.207) 0.901 6.437 ( -0.020 0.000 0.243) 0.244 8.637 ( -1.751 0.000 -0.126) 1.756 8.686 ( 1.129 0.000 -0.111) 1.135 13.250 ( -0.225 0.000 -1.313) 1.332 13.286 ( 0.594 0.000 1.879) 1.971 13.374 ( -1.147 0.000 0.477) 1.243 13.436 ( 1.758 0.000 0.203) 1.770 13.581 ( -2.033 0.000 1.411) 2.475 13.640 ( 0.501 0.000 -1.672) 1.745 13.810 ( -2.678 0.000 0.848) 2.809 13.893 ( 2.183 0.000 -0.796) 2.324 13.990 ( -1.924 0.000 0.918) 2.132 14.011 ( -0.658 0.000 -0.676) 0.943 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -0.866 0.000 -16.632) 16.654 0.874 ( -2.130 0.000 12.011) 12.198 0.884 ( 6.397 0.000 -6.164) 8.884 1.101 ( 2.722 0.000 8.906) 9.313 1.431 ( -3.415 0.000 4.467) 5.623 1.561 ( 5.459 0.000 -4.109) 6.832 1.633 ( -4.352 0.000 6.698) 7.988 1.683 ( 5.491 0.000 -12.060) 13.251 1.816 ( 3.450 0.000 -3.963) 5.255 1.842 ( 2.804 0.000 0.807) 2.918 1.887 ( -0.630 0.000 -3.441) 3.498 2.025 ( 3.561 0.000 3.626) 5.082 2.066 ( -7.067 0.000 2.663) 7.552 2.103 ( 3.663 0.000 -6.849) 7.767 2.218 ( -3.562 0.000 5.767) 6.778 2.229 ( -1.676 0.000 -2.449) 2.968 2.329 ( 2.426 0.000 3.209) 4.023 2.352 ( 6.057 0.000 0.406) 6.071 2.524 ( -0.430 0.000 -2.205) 2.246 2.540 ( -2.644 0.000 2.390) 3.564 2.606 ( 0.713 0.000 0.622) 0.946 2.636 ( -2.157 0.000 0.849) 2.318 2.808 ( -0.554 0.000 -0.408) 0.688 2.876 ( 2.761 0.000 -3.869) 4.753 2.934 ( 3.286 0.000 5.815) 6.679 3.007 ( -0.814 0.000 -1.550) 1.751 3.058 ( 4.112 0.000 3.459) 5.373 3.102 ( 1.684 0.000 0.087) 1.686 3.178 ( -3.396 0.000 2.884) 4.456 3.269 ( 6.091 0.000 -0.647) 6.125 3.483 ( -0.613 0.000 -1.303) 1.440 3.491 ( 1.249 0.000 -2.853) 3.115 3.552 ( 2.400 0.000 0.258) 2.414 3.615 ( 0.858 0.000 1.727) 1.928 3.625 ( 5.338 0.000 -1.078) 5.446 3.666 ( 2.068 0.000 0.696) 2.182 3.815 ( 1.193 0.000 -1.426) 1.859 3.925 ( 3.417 0.000 1.085) 3.585 4.230 ( -1.573 0.000 -1.298) 2.039 4.274 ( -2.928 0.000 0.576) 2.985 4.362 ( 0.549 0.000 0.107) 0.559 4.391 ( 1.118 0.000 -0.276) 1.151 4.585 ( -2.017 0.000 -0.567) 2.095 4.625 ( -3.063 0.000 1.661) 3.484 5.144 ( -1.223 0.000 0.106) 1.228 5.271 ( 1.342 0.000 -0.197) 1.356 6.404 ( -1.061 0.000 -0.388) 1.130 6.433 ( -0.433 0.000 -0.405) 0.593 8.609 ( -1.354 0.000 -0.268) 1.380 8.700 ( 0.789 0.000 -0.453) 0.910 13.249 ( 1.187 0.000 -0.247) 1.212 13.303 ( -1.343 0.000 2.623) 2.946 13.367 ( -0.575 0.000 0.957) 1.117 13.443 ( -0.917 0.000 0.160) 0.930 13.579 ( -0.376 0.000 1.202) 1.259 13.614 ( -1.073 0.000 -2.280) 2.520 13.779 ( -2.915 0.000 1.144) 3.131 13.878 ( -2.650 0.000 -1.220) 2.917 13.995 ( 0.126 0.000 -1.069) 1.077 13.996 ( 1.865 0.000 0.254) 1.883 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 10.772 0.000 -1.379) 10.860 0.917 ( 8.955 0.000 -10.249) 13.610 0.946 ( -4.061 0.000 10.076) 10.863 1.242 ( 2.502 0.000 8.252) 8.623 1.424 ( -4.346 0.000 5.073) 6.680 1.564 ( -2.595 0.000 -2.910) 3.899 1.605 ( 3.974 0.000 -11.448) 12.118 1.630 ( -4.945 0.000 7.394) 8.895 1.802 ( 2.841 0.000 -2.983) 4.119 1.869 ( -3.073 0.000 -5.438) 6.246 1.933 ( -3.014 0.000 3.297) 4.467 1.949 ( 10.253 0.000 -4.720) 11.288 2.080 ( 2.061 0.000 -4.646) 5.083 2.086 ( 0.141 0.000 3.137) 3.140 2.219 ( 2.044 0.000 -1.778) 2.709 2.240 ( -2.603 0.000 1.629) 3.070 2.364 ( -3.427 0.000 0.570) 3.474 2.467 ( 2.481 0.000 2.442) 3.481 2.503 ( -1.596 0.000 0.111) 1.600 2.525 ( 3.286 0.000 1.811) 3.752 2.621 ( 1.594 0.000 -0.782) 1.775 2.625 ( -1.496 0.000 2.083) 2.565 2.777 ( -2.455 0.000 0.372) 2.483 2.891 ( 2.188 0.000 0.376) 2.220 2.954 ( -0.306 0.000 -5.355) 5.364 3.016 ( -0.450 0.000 5.177) 5.197 3.136 ( 0.189 0.000 -0.743) 0.766 3.152 ( 1.934 0.000 2.956) 3.532 3.186 ( 1.932 0.000 4.400) 4.806 3.357 ( 6.233 0.000 -2.338) 6.657 3.483 ( 2.419 0.000 -3.237) 4.041 3.490 ( 0.735 0.000 2.339) 2.452 3.599 ( 1.614 0.000 1.526) 2.221 3.615 ( -0.846 0.000 -1.517) 1.737 3.677 ( 3.280 0.000 -2.206) 3.953 3.687 ( 0.895 0.000 -1.019) 1.356 3.857 ( 3.307 0.000 1.991) 3.860 3.983 ( 1.790 0.000 1.349) 2.241 4.193 ( -1.255 0.000 -1.149) 1.702 4.226 ( -2.905 0.000 -0.177) 2.910 4.380 ( 1.516 0.000 0.126) 1.521 4.407 ( 1.433 0.000 -0.592) 1.551 4.555 ( -1.625 0.000 0.193) 1.636 4.586 ( -3.525 0.000 1.168) 3.714 5.144 ( 0.025 0.000 1.606) 1.606 5.280 ( 0.667 0.000 -1.151) 1.330 6.384 ( -0.869 0.000 -0.330) 0.929 6.416 ( -0.637 0.000 -1.014) 1.198 8.596 ( -0.247 0.000 0.367) 0.442 8.699 ( 0.187 0.000 -1.230) 1.244 13.282 ( 2.072 0.000 1.392) 2.496 13.308 ( -2.157 0.000 4.247) 4.763 13.379 ( 0.010 0.000 2.248) 2.248 13.428 ( -0.694 0.000 -0.256) 0.739 13.563 ( -1.563 0.000 -3.220) 3.579 13.582 ( -0.834 0.000 1.418) 1.645 13.728 ( -3.426 0.000 -1.589) 3.776 13.808 ( -3.436 0.000 -2.188) 4.073 13.998 ( 1.122 0.000 -0.433) 1.202 14.029 ( 2.141 0.000 -0.833) 2.297 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 1.228 0.000 7.252) 7.355 0.959 ( 9.272 0.000 -8.987) 12.912 1.002 ( 4.477 0.000 9.946) 10.907 1.326 ( -2.586 0.000 3.739) 4.546 1.391 ( -4.445 0.000 3.600) 5.720 1.486 ( 0.639 0.000 -5.532) 5.569 1.562 ( 0.415 0.000 -4.832) 4.850 1.572 ( -6.870 0.000 -1.630) 7.061 1.774 ( -3.636 0.000 4.251) 5.594 1.844 ( 5.835 0.000 -3.023) 6.572 1.971 ( -0.372 0.000 3.154) 3.176 2.042 ( 3.780 0.000 -3.007) 4.830 2.100 ( -1.877 0.000 -0.229) 1.891 2.104 ( 7.183 0.000 -2.877) 7.738 2.201 ( -1.578 0.000 3.024) 3.411 2.231 ( 4.765 0.000 -5.999) 7.661 2.284 ( -5.934 0.000 0.085) 5.934 2.388 ( -5.087 0.000 -3.416) 6.128 2.550 ( -1.382 0.000 4.396) 4.608 2.584 ( -0.534 0.000 2.823) 2.873 2.634 ( 1.531 0.000 -0.723) 1.693 2.654 ( 4.321 0.000 -3.144) 5.343 2.759 ( -2.904 0.000 5.114) 5.881 2.886 ( -0.120 0.000 -3.611) 3.613 2.965 ( 4.064 0.000 0.698) 4.123 3.023 ( -2.788 0.000 1.471) 3.153 3.147 ( 0.298 0.000 2.733) 2.749 3.181 ( -0.633 0.000 1.139) 1.303 3.267 ( 2.039 0.000 3.348) 3.920 3.394 ( 2.193 0.000 -3.898) 4.473 3.502 ( 3.157 0.000 -1.692) 3.582 3.535 ( -0.321 0.000 2.441) 2.462 3.576 ( -0.133 0.000 -1.196) 1.204 3.626 ( -0.566 0.000 1.532) 1.633 3.678 ( 0.322 0.000 -2.149) 2.173 3.690 ( 1.337 0.000 -2.147) 2.529 3.936 ( 2.823 0.000 2.758) 3.947 4.004 ( -0.271 0.000 0.262) 0.377 4.171 ( -0.117 0.000 -0.667) 0.677 4.185 ( -1.759 0.000 -0.360) 1.795 4.407 ( 0.793 0.000 0.727) 1.076 4.423 ( 1.012 0.000 -0.442) 1.104 4.537 ( -0.498 0.000 0.007) 0.498 4.544 ( -2.579 0.000 0.644) 2.658 5.174 ( 0.636 0.000 2.799) 2.871 5.267 ( -0.134 0.000 -2.149) 2.153 6.372 ( -0.278 0.000 0.021) 0.279 6.395 ( -0.430 0.000 -1.207) 1.282 8.609 ( 0.604 0.000 1.413) 1.537 8.679 ( -0.495 0.000 -1.987) 2.048 13.332 ( -1.458 0.000 5.598) 5.785 13.336 ( 1.826 0.000 2.257) 2.903 13.415 ( -0.166 0.000 -1.197) 1.208 13.422 ( 1.304 0.000 4.198) 4.396 13.502 ( -0.876 0.000 -4.201) 4.292 13.592 ( 0.322 0.000 0.981) 1.033 13.643 ( -3.392 0.000 -2.774) 4.382 13.734 ( -1.820 0.000 -3.477) 3.925 14.013 ( 0.675 0.000 0.253) 0.721 14.040 ( 0.691 0.000 -1.309) 1.480 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -10.889 0.000 7.241) 13.077 1.003 ( 4.736 0.000 -8.732) 9.934 1.163 ( -11.526 0.000 -3.305) 11.990 1.275 ( 9.517 0.000 9.444) 13.408 1.389 ( -2.413 0.000 1.408) 2.794 1.477 ( 5.129 0.000 -4.534) 6.846 1.500 ( -1.157 0.000 1.332) 1.765 1.533 ( 1.153 0.000 -0.856) 1.436 1.773 ( -3.424 0.000 4.344) 5.531 1.899 ( 5.945 0.000 -6.164) 8.564 1.949 ( -7.074 0.000 5.146) 8.748 2.036 ( 0.315 0.000 -3.240) 3.256 2.076 ( -4.085 0.000 1.367) 4.307 2.141 ( 1.131 0.000 -4.475) 4.615 2.151 ( -3.214 0.000 0.765) 3.303 2.278 ( 2.592 0.000 0.290) 2.608 2.300 ( 4.517 0.000 -6.523) 7.935 2.309 ( 4.372 0.000 4.520) 6.288 2.561 ( -2.443 0.000 4.025) 4.709 2.580 ( -4.068 0.000 3.827) 5.585 2.638 ( 2.020 0.000 -4.224) 4.682 2.663 ( 1.133 0.000 -2.721) 2.947 2.790 ( -1.148 0.000 5.745) 5.858 2.860 ( 1.413 0.000 -4.004) 4.246 2.977 ( -3.968 0.000 0.234) 3.975 3.025 ( 2.193 0.000 0.713) 2.306 3.171 ( -1.391 0.000 0.518) 1.484 3.181 ( 0.576 0.000 1.752) 1.844 3.311 ( -1.422 0.000 3.781) 4.040 3.347 ( -1.988 0.000 -4.556) 4.971 3.493 ( -3.252 0.000 -0.994) 3.400 3.541 ( 2.689 0.000 -0.106) 2.691 3.605 ( -2.246 0.000 -0.992) 2.455 3.618 ( 1.643 0.000 2.456) 2.955 3.663 ( -0.379 0.000 -0.496) 0.624 3.675 ( -0.491 0.000 -1.886) 1.949 3.977 ( -2.453 0.000 -1.365) 2.807 3.992 ( 1.173 0.000 1.652) 2.026 4.166 ( -0.236 0.000 -0.067) 0.246 4.178 ( 1.379 0.000 0.077) 1.381 4.409 ( -1.567 0.000 0.910) 1.812 4.418 ( -1.407 0.000 -0.337) 1.447 4.532 ( 0.464 0.000 0.515) 0.693 4.551 ( 2.307 0.000 0.005) 2.307 5.215 ( 0.420 0.000 2.984) 3.014 5.232 ( -0.810 0.000 -2.847) 2.960 6.377 ( 0.432 0.000 0.536) 0.688 6.381 ( 0.123 0.000 -0.858) 0.867 8.639 ( 0.753 0.000 1.963) 2.103 8.645 ( -0.857 0.000 -2.197) 2.359 13.358 ( -2.350 0.000 2.389) 3.351 13.380 ( 0.618 0.000 2.151) 2.238 13.409 ( 0.860 0.000 1.020) 1.334 13.450 ( 1.499 0.000 -5.904) 6.091 13.510 ( 2.046 0.000 6.451) 6.768 13.536 ( -1.592 0.000 -5.362) 5.593 13.658 ( 2.236 0.000 3.993) 4.576 13.682 ( 0.472 0.000 -4.021) 4.049 14.021 ( -0.395 0.000 0.639) 0.751 14.025 ( -0.874 0.000 -1.032) 1.353 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -12.029 0.000 10.436) 15.925 0.748 ( -15.811 0.000 -11.239) 19.398 1.125 ( 6.032 0.000 -6.685) 9.004 1.335 ( -11.856 0.000 11.346) 16.410 1.377 ( 2.334 0.000 -4.073) 4.695 1.507 ( 3.355 0.000 -3.092) 4.563 1.524 ( 0.961 0.000 2.125) 2.332 1.684 ( 9.946 0.000 7.066) 12.200 1.767 ( -0.653 0.000 1.204) 1.370 1.864 ( -9.357 0.000 4.978) 10.599 1.865 ( 1.025 0.000 -9.722) 9.776 1.988 ( -1.419 0.000 -3.251) 3.547 2.008 ( -3.130 0.000 1.740) 3.581 2.123 ( 1.542 0.000 -1.312) 2.025 2.186 ( 1.912 0.000 2.285) 2.979 2.293 ( 4.601 0.000 -3.453) 5.752 2.370 ( 4.123 0.000 -0.933) 4.227 2.434 ( 4.844 0.000 4.384) 6.533 2.520 ( -7.643 0.000 1.270) 7.747 2.552 ( -2.618 0.000 1.067) 2.827 2.617 ( 0.870 0.000 -3.166) 3.284 2.651 ( 0.138 0.000 -0.834) 0.846 2.836 ( 1.391 0.000 -4.501) 4.711 2.843 ( 0.229 0.000 5.502) 5.507 2.906 ( -4.042 0.000 -0.554) 4.079 3.055 ( 0.484 0.000 1.038) 1.145 3.148 ( -1.139 0.000 -1.165) 1.629 3.195 ( 0.084 0.000 -0.916) 0.920 3.257 ( -3.342 0.000 -3.093) 4.554 3.292 ( -6.115 0.000 3.802) 7.201 3.439 ( -2.966 0.000 0.675) 3.042 3.549 ( -2.110 0.000 -2.494) 3.267 3.582 ( 1.449 0.000 1.514) 2.096 3.634 ( -1.509 0.000 -1.799) 2.348 3.647 ( -1.380 0.000 -0.002) 1.380 3.661 ( 0.306 0.000 1.627) 1.655 3.902 ( -4.113 0.000 -2.336) 4.730 4.006 ( -0.341 0.000 -0.524) 0.625 4.176 ( 1.033 0.000 0.520) 1.156 4.213 ( 2.270 0.000 0.790) 2.403 4.381 ( -2.480 0.000 0.091) 2.482 4.388 ( -2.145 0.000 1.254) 2.485 4.558 ( 1.841 0.000 0.101) 1.844 4.599 ( 3.506 0.000 -0.157) 3.509 5.187 ( -0.803 0.000 -2.679) 2.797 5.245 ( -0.193 0.000 2.305) 2.314 6.381 ( 0.653 0.000 -0.213) 0.687 6.395 ( 0.820 0.000 0.921) 1.233 8.612 ( -0.593 0.000 -1.434) 1.552 8.668 ( 0.298 0.000 1.775) 1.800 13.314 ( -2.961 0.000 -1.223) 3.204 13.386 ( -0.669 0.000 -0.994) 1.199 13.423 ( -0.878 0.000 -1.142) 1.440 13.440 ( 3.869 0.000 -3.722) 5.369 13.506 ( 1.768 0.000 1.011) 2.037 13.602 ( 1.958 0.000 2.349) 3.058 13.678 ( 2.697 0.000 0.383) 2.724 13.752 ( 4.154 0.000 3.363) 5.345 13.996 ( -1.825 0.000 -0.292) 1.848 14.013 ( -1.277 0.000 0.593) 1.408 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -12.443 0.000 1.842) 12.579 0.644 ( -10.990 0.000 14.093) 17.872 1.095 ( 0.957 0.000 -9.028) 9.079 1.263 ( -17.726 0.000 18.535) 25.647 1.332 ( 2.115 0.000 -10.473) 10.685 1.522 ( 2.682 0.000 -3.800) 4.651 1.571 ( 1.658 0.000 2.836) 3.285 1.774 ( 0.498 0.000 0.855) 0.989 1.780 ( 3.170 0.000 -8.856) 9.406 1.834 ( 0.088 0.000 4.006) 4.007 1.843 ( -0.522 0.000 2.025) 2.091 1.992 ( 4.745 0.000 3.472) 5.880 1.995 ( -2.578 0.000 3.111) 4.041 2.134 ( 2.022 0.000 -3.659) 4.180 2.221 ( 0.994 0.000 -0.877) 1.326 2.318 ( 2.692 0.000 -4.185) 4.976 2.368 ( -9.733 0.000 -1.327) 9.823 2.404 ( 1.484 0.000 -1.299) 1.972 2.500 ( -1.618 0.000 -2.345) 2.849 2.540 ( 2.993 0.000 2.312) 3.782 2.606 ( -0.326 0.000 0.566) 0.653 2.659 ( 1.080 0.000 0.428) 1.161 2.818 ( -4.837 0.000 1.501) 5.064 2.819 ( 1.331 0.000 -2.472) 2.807 2.944 ( 2.732 0.000 4.754) 5.483 3.025 ( -4.413 0.000 -2.468) 5.057 3.115 ( -0.516 0.000 -1.770) 1.844 3.128 ( -6.320 0.000 -3.168) 7.070 3.223 ( 2.126 0.000 -0.412) 2.166 3.235 ( -4.090 0.000 2.575) 4.833 3.421 ( -1.528 0.000 2.895) 3.274 3.497 ( -0.964 0.000 -2.035) 2.252 3.582 ( -2.220 0.000 -1.869) 2.902 3.592 ( -4.010 0.000 2.159) 4.554 3.637 ( 1.725 0.000 -1.187) 2.094 3.671 ( -0.556 0.000 0.295) 0.629 3.816 ( -3.383 0.000 -1.333) 3.637 3.963 ( -2.908 0.000 -2.839) 4.064 4.205 ( 1.448 0.000 1.074) 1.803 4.265 ( 2.563 0.000 1.323) 2.884 4.356 ( -0.805 0.000 0.794) 1.130 4.371 ( -1.826 0.000 1.589) 2.421 4.584 ( 1.553 0.000 -0.302) 1.582 4.649 ( 3.075 0.000 -0.708) 3.156 5.159 ( 0.214 0.000 -1.401) 1.418 5.256 ( -0.853 0.000 1.266) 1.527 6.395 ( 0.857 0.000 0.373) 0.935 6.418 ( 0.667 0.000 0.931) 1.146 8.604 ( 0.677 0.000 0.165) 0.696 8.683 ( -0.401 0.000 1.136) 1.205 13.258 ( -2.153 0.000 -0.893) 2.331 13.360 ( -0.241 0.000 -2.231) 2.244 13.393 ( -0.267 0.000 -1.602) 1.624 13.467 ( 3.274 0.000 -3.124) 4.525 13.561 ( 1.545 0.000 2.783) 3.183 13.611 ( 0.639 0.000 -2.290) 2.378 13.770 ( 4.277 0.000 3.124) 5.296 13.844 ( 2.979 0.000 2.283) 3.753 13.969 ( -1.628 0.000 1.169) 2.004 13.998 ( -0.753 0.000 -0.023) 0.753 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 4.825 0.000 20.783) 21.336 0.646 ( -8.701 0.000 15.565) 17.832 1.004 ( -1.815 0.000 -5.075) 5.390 1.180 ( -14.853 0.000 17.170) 22.703 1.237 ( 2.877 0.000 -14.044) 14.336 1.519 ( 2.714 0.000 -4.237) 5.032 1.611 ( -0.970 0.000 2.707) 2.876 1.727 ( -1.265 0.000 -4.816) 4.980 1.788 ( -0.368 0.000 -1.610) 1.651 1.861 ( 4.202 0.000 -0.837) 4.285 1.910 ( 3.218 0.000 2.052) 3.816 1.985 ( -3.494 0.000 5.585) 6.588 2.032 ( -1.214 0.000 -10.966) 11.033 2.138 ( 1.888 0.000 3.068) 3.602 2.173 ( -5.072 0.000 3.001) 5.893 2.303 ( 1.345 0.000 -4.015) 4.234 2.306 ( 1.348 0.000 3.092) 3.373 2.392 ( 5.084 0.000 -6.411) 8.182 2.496 ( -0.593 0.000 2.808) 2.870 2.557 ( -1.028 0.000 -0.054) 1.029 2.627 ( 1.518 0.000 -0.259) 1.540 2.683 ( 1.710 0.000 -1.023) 1.992 2.766 ( -5.583 0.000 3.656) 6.674 2.815 ( 0.395 0.000 -1.818) 1.860 2.902 ( -4.975 0.000 -3.740) 6.224 2.943 ( -8.463 0.000 -1.830) 8.659 3.060 ( 2.394 0.000 3.670) 4.382 3.109 ( 1.256 0.000 -0.507) 1.354 3.201 ( -1.955 0.000 -0.447) 2.006 3.260 ( 2.890 0.000 -3.280) 4.371 3.447 ( -0.197 0.000 3.876) 3.880 3.487 ( 0.937 0.000 0.410) 1.022 3.526 ( -5.294 0.000 0.634) 5.331 3.531 ( -1.280 0.000 -1.886) 2.279 3.637 ( 0.662 0.000 -3.194) 3.262 3.647 ( -1.695 0.000 -1.587) 2.322 3.789 ( -0.228 0.000 1.615) 1.631 3.877 ( -3.673 0.000 -1.060) 3.823 4.240 ( 1.293 0.000 1.350) 1.870 4.300 ( 0.235 0.000 0.584) 0.630 4.364 ( -1.342 0.000 1.726) 2.187 4.374 ( 1.694 0.000 -0.325) 1.725 4.608 ( 1.553 0.000 0.607) 1.667 4.676 ( 1.525 0.000 -1.325) 2.020 5.168 ( 1.714 0.000 0.071) 1.716 5.245 ( -1.478 0.000 0.258) 1.501 6.414 ( 0.704 0.000 0.658) 0.964 6.433 ( 0.137 0.000 0.593) 0.609 8.635 ( 2.281 0.000 0.337) 2.306 8.680 ( -1.011 0.000 0.490) 1.124 13.235 ( -0.374 0.000 0.348) 0.511 13.329 ( -0.838 0.000 -2.339) 2.484 13.385 ( 0.723 0.000 -0.666) 0.983 13.448 ( -2.521 0.000 -1.663) 3.020 13.600 ( -0.169 0.000 2.245) 2.251 13.608 ( 2.064 0.000 -1.401) 2.494 13.834 ( 2.621 0.000 -1.296) 2.924 13.876 ( -1.246 0.000 1.032) 1.618 13.986 ( 0.986 0.000 2.162) 2.376 14.002 ( 1.564 0.000 -0.426) 1.621 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -3.046 1.277 14.882) 15.244 0.813 ( -2.018 3.338 15.984) 16.453 0.959 ( 4.799 -0.409 -9.121) 10.315 1.132 ( 0.857 0.797 -14.195) 14.244 1.259 ( -2.486 0.585 14.532) 14.755 1.468 ( 0.821 -5.369 -6.533) 8.496 1.606 ( -1.024 -5.074 1.075) 5.287 1.635 ( -4.027 3.684 8.562) 10.154 1.658 ( 2.527 -5.180 -4.271) 7.173 1.884 ( -0.123 3.029 -10.857) 11.272 1.928 ( 0.457 -0.409 0.650) 0.893 1.964 ( 2.564 2.764 -4.087) 5.560 2.066 ( -1.020 0.994 7.178) 7.318 2.141 ( 0.851 -0.442 0.393) 1.036 2.202 ( 0.315 0.806 4.732) 4.810 2.319 ( 1.591 3.548 -6.390) 7.480 2.359 ( -2.704 -2.440 1.783) 4.056 2.406 ( 2.767 -1.163 -3.600) 4.687 2.527 ( -0.904 -0.672 1.637) 1.987 2.555 ( 1.979 1.476 1.158) 2.727 2.606 ( -1.820 -1.383 -1.178) 2.572 2.613 ( 0.203 -1.862 -2.995) 3.532 2.715 ( -4.741 -2.706 2.377) 5.954 2.771 ( 2.687 -0.147 -2.669) 3.790 2.880 ( -2.605 2.536 0.551) 3.677 2.900 ( 2.097 2.792 -1.142) 3.674 3.130 ( 2.171 -0.359 3.183) 3.869 3.139 ( -1.527 -1.571 1.819) 2.848 3.182 ( 1.958 3.360 -0.872) 3.986 3.219 ( -2.771 0.246 -3.389) 4.384 3.451 ( -1.823 -1.504 1.084) 2.600 3.476 ( 1.635 -0.605 -1.184) 2.108 3.524 ( 1.891 1.031 2.684) 3.441 3.557 ( 1.270 1.443 2.710) 3.323 3.586 ( -2.406 0.840 -3.060) 3.982 3.620 ( -0.166 0.655 -3.188) 3.259 3.815 ( 1.209 -0.477 1.372) 1.890 3.837 ( -0.251 -0.587 -0.779) 1.007 4.236 ( 0.186 -1.973 1.806) 2.682 4.268 ( -0.012 -1.567 -1.236) 1.996 4.364 ( -1.020 -1.381 0.794) 1.892 4.367 ( 0.150 -0.563 0.548) 0.800 4.640 ( 0.128 0.193 1.571) 1.588 4.670 ( -0.390 -0.030 -1.385) 1.439 5.202 ( 1.375 -0.052 0.811) 1.597 5.221 ( -1.282 0.172 -1.194) 1.760 6.434 ( 0.328 0.399 0.574) 0.772 6.438 ( -0.360 0.328 0.165) 0.514 8.657 ( 0.581 0.079 1.254) 1.384 8.683 ( -0.404 0.591 -1.558) 1.714 13.248 ( 1.300 -0.233 1.061) 1.694 13.273 ( -1.732 -0.805 -1.364) 2.347 13.406 ( -0.490 0.929 0.829) 1.338 13.419 ( 0.140 1.090 -0.551) 1.229 13.624 ( -1.664 1.935 0.992) 2.738 13.647 ( 1.877 1.323 -1.172) 2.578 13.848 ( -2.042 -0.227 0.220) 2.066 13.855 ( 2.172 -0.542 -0.499) 2.293 13.982 ( -0.900 -1.322 1.781) 2.393 14.006 ( 0.628 -1.171 -0.645) 1.477 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -2.861 2.002 11.844) 12.348 0.848 ( 0.073 0.227 -6.851) 6.855 0.946 ( -2.709 3.513 -9.207) 10.220 1.033 ( 4.482 2.249 2.433) 5.574 1.398 ( 1.855 -2.969 6.082) 7.018 1.440 ( 3.658 -6.930 -3.476) 8.573 1.541 ( -5.185 -4.249 3.525) 7.574 1.669 ( 3.696 -3.191 -2.326) 5.409 1.769 ( 2.793 0.592 9.075) 9.514 1.821 ( 5.930 4.256 -10.635) 12.899 1.910 ( -3.319 -1.532 0.856) 3.754 1.940 ( -0.084 1.675 -1.355) 2.156 2.121 ( -0.912 1.358 4.079) 4.395 2.154 ( 3.303 2.428 -3.649) 5.488 2.245 ( -1.112 0.875 -0.039) 1.415 2.271 ( -0.917 -1.475 -1.429) 2.249 2.311 ( -1.285 1.265 -2.455) 3.047 2.375 ( -2.443 0.322 1.595) 2.935 2.510 ( -2.104 -1.021 -0.813) 2.476 2.549 ( -2.121 -2.571 2.193) 3.989 2.558 ( 0.293 0.817 0.020) 0.868 2.701 ( 5.200 -1.757 0.390) 5.503 2.741 ( 3.567 -0.675 3.521) 5.058 2.792 ( 0.526 1.330 -1.067) 1.785 2.883 ( 3.399 -0.273 -0.214) 3.417 2.949 ( 4.024 1.852 0.129) 4.432 3.097 ( -3.906 -0.233 -0.811) 3.997 3.141 ( -2.309 -0.004 -0.479) 2.358 3.174 ( 0.724 1.924 -0.259) 2.072 3.231 ( 2.992 2.470 1.735) 4.250 3.454 ( 0.912 -1.326 1.141) 1.973 3.505 ( 0.733 -1.340 -2.457) 2.893 3.530 ( 2.035 0.249 -1.046) 2.302 3.578 ( 0.408 1.199 -1.668) 2.095 3.591 ( 0.889 1.305 1.681) 2.306 3.620 ( 3.034 0.764 1.546) 3.489 3.826 ( 0.625 -0.267 -1.980) 2.094 3.858 ( 2.827 -0.657 0.678) 2.981 4.240 ( -0.951 -1.705 -0.708) 2.077 4.262 ( -0.018 -1.736 0.472) 1.799 4.354 ( -0.804 -0.878 0.661) 1.362 4.379 ( 0.447 -0.738 0.413) 0.956 4.634 ( -1.998 0.309 -0.975) 2.245 4.647 ( -1.594 0.099 1.399) 2.123 5.180 ( -1.825 0.412 -0.748) 2.015 5.239 ( 1.574 -0.408 0.640) 1.748 6.427 ( -0.859 0.391 -0.175) 0.960 6.441 ( -0.026 0.328 0.159) 0.366 8.645 ( -1.569 0.612 -0.652) 1.806 8.688 ( 0.890 0.029 0.422) 0.985 13.241 ( -0.221 -0.393 -0.925) 1.029 13.294 ( 1.975 0.115 1.447) 2.452 13.383 ( -1.819 0.987 0.302) 2.092 13.443 ( 1.461 0.466 0.095) 1.536 13.599 ( -2.173 1.643 0.879) 2.862 13.653 ( 0.246 1.258 -1.151) 1.723 13.813 ( -2.664 0.014 0.495) 2.710 13.881 ( 1.263 -1.234 -0.587) 1.861 13.977 ( -1.347 -0.864 1.226) 2.016 14.000 ( -0.030 -0.701 -0.907) 1.147 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.382 1.788 -15.708) 15.814 0.885 ( -0.773 1.713 9.654) 9.835 0.898 ( 5.352 1.000 -7.877) 9.575 1.166 ( 2.575 4.675 9.346) 10.763 1.413 ( -3.986 -2.045 3.675) 5.794 1.462 ( 1.775 -7.645 -1.696) 8.029 1.581 ( 1.465 -6.125 6.535) 9.076 1.704 ( 6.925 -1.039 -7.675) 10.390 1.745 ( -3.042 -3.286 -7.831) 9.021 1.826 ( -1.733 -0.139 2.250) 2.843 1.896 ( 2.971 3.111 -1.737) 4.639 2.025 ( 4.040 -0.147 5.288) 6.657 2.068 ( -5.619 -0.589 -3.518) 6.655 2.131 ( -3.587 0.100 -0.276) 3.599 2.189 ( 2.334 2.005 -5.266) 6.099 2.287 ( 3.468 -0.055 -1.926) 3.967 2.322 ( 0.344 3.081 5.984) 6.740 2.428 ( 3.433 3.173 3.664) 5.939 2.474 ( -1.747 -1.876 -0.765) 2.675 2.526 ( -0.934 -0.822 -0.009) 1.245 2.594 ( 0.762 0.554 2.612) 2.777 2.739 ( -0.205 4.824 -0.075) 4.829 2.789 ( 0.100 -1.430 -0.035) 1.434 2.848 ( 4.413 -2.083 1.321) 5.055 2.901 ( 0.394 -0.699 0.094) 0.808 3.017 ( -1.999 -1.506 -0.608) 2.575 3.045 ( 2.783 -0.752 1.670) 3.332 3.147 ( 1.877 1.634 1.709) 3.019 3.185 ( 1.848 3.389 -0.441) 3.885 3.298 ( 4.106 1.403 0.117) 4.340 3.469 ( -0.136 -0.291 -2.182) 2.205 3.492 ( 1.653 -1.370 0.990) 2.364 3.560 ( 1.460 1.717 -2.056) 3.051 3.594 ( 4.338 -1.920 -0.180) 4.748 3.626 ( 0.342 0.574 1.291) 1.454 3.670 ( 1.991 0.010 -0.151) 1.996 3.826 ( 1.748 0.886 -0.890) 2.152 3.920 ( 3.560 -0.513 1.020) 3.739 4.208 ( -1.297 -1.431 -1.411) 2.392 4.254 ( -1.985 -1.307 0.771) 2.499 4.357 ( 0.805 -0.560 0.040) 0.982 4.391 ( 0.874 -0.445 -0.008) 0.981 4.589 ( -2.218 0.405 -0.667) 2.352 4.625 ( -3.012 -0.044 1.499) 3.364 5.152 ( -1.087 0.729 0.050) 1.310 5.265 ( 1.073 -0.596 0.144) 1.236 6.409 ( -1.025 0.451 -0.388) 1.185 6.436 ( -0.440 0.262 -0.410) 0.655 8.616 ( -1.099 0.692 -0.479) 1.384 8.700 ( 0.369 -0.071 -0.037) 0.377 13.243 ( 1.167 -0.123 -0.060) 1.175 13.332 ( -0.300 1.891 2.495) 3.144 13.363 ( -0.938 -0.295 0.709) 1.212 13.452 ( -0.481 0.539 0.235) 0.760 13.583 ( -0.633 0.753 0.175) 0.999 13.631 ( -1.246 1.537 -1.292) 2.363 13.773 ( -3.051 -0.529 0.219) 3.104 13.864 ( -2.350 -1.368 -0.982) 2.891 13.978 ( 0.595 -0.902 -0.196) 1.098 14.000 ( 1.412 -0.002 -0.512) 1.502 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 10.353 2.721 -0.586) 10.721 0.913 ( 7.781 -0.553 -8.951) 11.873 0.956 ( -2.373 1.520 7.252) 7.781 1.285 ( 0.923 3.428 7.144) 7.978 1.391 ( -4.111 -2.930 4.537) 6.788 1.465 ( -0.046 -7.254 -0.378) 7.264 1.591 ( -0.686 -3.236 -8.590) 9.205 1.693 ( 0.996 1.289 6.338) 6.544 1.735 ( 2.207 -1.079 -2.901) 3.801 1.795 ( -4.466 -5.622 -1.718) 7.383 1.893 ( -1.729 -1.385 -0.539) 2.280 1.977 ( 4.233 1.952 -5.441) 7.165 2.072 ( 0.369 2.611 0.656) 2.717 2.144 ( 2.251 0.069 0.248) 2.266 2.183 ( 2.149 -0.781 -2.047) 3.069 2.281 ( -2.313 -0.664 -3.540) 4.280 2.376 ( -0.257 2.458 2.191) 3.303 2.431 ( -2.166 -3.125 -1.052) 3.945 2.534 ( 3.946 4.421 3.263) 6.765 2.537 ( 1.995 0.812 0.990) 2.370 2.620 ( -1.466 2.708 3.576) 4.719 2.714 ( -0.179 1.004 -3.760) 3.896 2.780 ( -0.604 1.525 1.207) 2.036 2.907 ( 2.887 1.682 1.003) 3.489 2.918 ( 0.346 -1.508 -2.041) 2.562 3.004 ( -0.429 -1.169 4.241) 4.420 3.088 ( -0.712 -3.347 3.160) 4.658 3.204 ( 1.313 2.855 1.696) 3.571 3.232 ( 4.230 3.791 0.194) 5.683 3.358 ( 4.647 -0.349 -2.511) 5.294 3.467 ( 1.526 -0.606 -0.225) 1.658 3.516 ( 1.075 0.228 0.073) 1.101 3.585 ( 1.863 0.138 0.245) 1.884 3.618 ( -0.691 0.035 -1.716) 1.851 3.649 ( 3.085 -1.823 -0.878) 3.690 3.688 ( 0.923 -0.051 -0.499) 1.051 3.868 ( 2.963 0.950 1.277) 3.363 3.978 ( 1.975 -0.532 0.974) 2.265 4.175 ( -1.132 -1.076 -0.875) 1.790 4.221 ( -2.474 -0.629 0.121) 2.555 4.378 ( 1.540 -0.329 0.105) 1.578 4.406 ( 1.218 -0.264 -0.368) 1.300 4.554 ( -1.741 0.039 -0.060) 1.743 4.587 ( -3.360 -0.041 1.011) 3.509 5.150 ( -0.022 0.654 1.329) 1.482 5.274 ( 0.401 -0.660 -0.806) 1.117 6.390 ( -0.801 0.525 -0.327) 1.012 6.420 ( -0.636 0.297 -0.917) 1.155 8.604 ( -0.163 0.823 0.312) 0.896 8.698 ( -0.077 -0.207 -0.934) 0.960 13.277 ( 1.956 -0.054 1.591) 2.522 13.336 ( -2.140 2.055 3.518) 4.602 13.379 ( 0.212 -0.156 2.260) 2.275 13.445 ( -0.451 1.184 0.276) 1.297 13.566 ( -0.944 0.388 -1.972) 2.221 13.597 ( -1.308 1.491 -0.209) 1.994 13.716 ( -2.960 -0.746 -1.941) 3.618 13.800 ( -3.196 -0.850 -2.153) 3.946 13.990 ( 1.139 -0.621 -0.195) 1.312 14.023 ( 1.856 -0.495 -0.817) 2.088 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 3.784 3.863 5.709) 7.863 0.954 ( 4.854 -0.191 -4.883) 6.888 0.988 ( 6.058 -1.190 6.907) 9.264 1.329 ( -4.894 0.096 3.648) 6.105 1.378 ( -1.216 -1.040 2.927) 3.336 1.461 ( 1.732 -3.233 -2.625) 4.510 1.523 ( 1.641 -2.554 -5.192) 6.014 1.598 ( -9.470 -1.047 -5.495) 10.999 1.762 ( -3.480 0.874 5.537) 6.597 1.768 ( 3.999 -4.056 -0.240) 5.701 1.911 ( 0.704 -3.348 3.100) 4.617 2.005 ( 2.956 -2.160 -2.249) 4.297 2.127 ( 3.924 1.366 -2.835) 5.030 2.136 ( 2.376 -0.454 -4.171) 4.822 2.173 ( -3.824 0.294 -1.664) 4.181 2.209 ( -0.119 -0.769 0.810) 1.123 2.357 ( -1.445 1.274 -1.165) 2.252 2.381 ( -1.902 1.610 -2.170) 3.305 2.576 ( 0.688 1.436 1.634) 2.282 2.603 ( 0.464 0.397 1.375) 1.504 2.626 ( -2.468 3.791 4.067) 6.083 2.685 ( 1.894 0.144 -3.588) 4.060 2.806 ( 1.103 3.525 2.298) 4.350 2.881 ( 0.095 0.146 -2.448) 2.455 2.980 ( 3.270 1.351 1.176) 3.729 3.019 ( -2.475 -0.521 1.761) 3.082 3.128 ( -0.304 -1.483 5.840) 6.033 3.217 ( -0.459 2.421 0.286) 2.480 3.299 ( 2.703 2.807 1.002) 4.023 3.385 ( 2.332 -1.060 -3.487) 4.327 3.495 ( 1.844 -0.982 -0.269) 2.107 3.528 ( -0.218 -1.233 -0.381) 1.309 3.582 ( -0.344 0.684 -0.403) 0.865 3.613 ( 0.142 -0.451 0.431) 0.640 3.674 ( 1.502 -0.320 -1.226) 1.965 3.688 ( 0.153 0.269 -1.077) 1.120 3.933 ( 2.494 -0.203 2.215) 3.342 3.997 ( -0.208 -0.709 -0.088) 0.745 4.159 ( -0.196 -0.699 -0.040) 0.727 4.186 ( -1.506 -0.192 -0.527) 1.607 4.403 ( 0.777 -0.432 0.664) 1.110 4.420 ( 0.816 -0.334 -0.363) 0.953 4.534 ( -0.464 -0.060 0.047) 0.470 4.546 ( -2.368 0.104 0.454) 2.414 5.176 ( 0.626 0.234 2.398) 2.489 5.260 ( -0.331 -0.661 -1.863) 2.004 6.379 ( -0.215 0.602 0.018) 0.640 6.400 ( -0.429 0.420 -1.080) 1.236 8.617 ( 0.571 0.721 1.262) 1.562 8.679 ( -0.517 -0.065 -1.680) 1.759 13.333 ( 1.766 0.029 3.031) 3.508 13.355 ( -0.745 1.691 4.404) 4.776 13.399 ( -0.864 -0.364 1.532) 1.796 13.455 ( 1.162 1.729 1.298) 2.455 13.516 ( -0.986 1.233 -3.552) 3.887 13.593 ( 0.368 0.308 0.391) 0.619 13.641 ( -2.794 -0.070 -2.591) 3.811 13.728 ( -1.699 -0.593 -3.550) 3.980 14.006 ( 0.658 -0.543 0.353) 0.924 14.033 ( 0.612 -0.624 -1.175) 1.464 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -9.895 2.903 4.697) 11.332 1.014 ( 6.973 0.705 -5.962) 9.202 1.159 ( -11.466 -0.294 -4.658) 12.379 1.269 ( 9.119 -0.487 7.549) 11.849 1.390 ( -2.183 -0.085 2.964) 3.683 1.440 ( -4.452 -4.623 1.069) 6.506 1.466 ( 2.382 -1.172 -4.360) 5.104 1.546 ( 5.428 -0.555 -1.138) 5.574 1.747 ( -3.490 -0.953 2.785) 4.566 1.837 ( 3.598 -2.948 1.179) 4.799 1.938 ( -1.513 -1.863 1.550) 2.857 1.984 ( -1.146 -5.009 -3.968) 6.492 2.063 ( -4.768 -0.128 0.268) 4.777 2.143 ( 3.075 -0.010 -1.813) 3.570 2.152 ( -3.634 1.479 -0.247) 3.932 2.247 ( 4.732 -1.910 -0.941) 5.189 2.343 ( 1.073 1.195 0.015) 1.606 2.355 ( 1.482 3.765 -0.834) 4.132 2.577 ( -2.934 0.737 1.915) 3.581 2.594 ( -3.128 0.113 2.544) 4.033 2.641 ( 0.888 1.436 0.513) 1.764 2.692 ( 2.899 2.995 -2.673) 4.952 2.824 ( -1.830 2.401 0.890) 3.147 2.878 ( 2.265 1.737 -2.077) 3.530 2.979 ( -4.010 0.101 1.143) 4.171 3.029 ( 1.842 0.256 0.497) 1.925 3.183 ( -0.010 0.332 4.425) 4.437 3.204 ( -0.574 1.940 -1.022) 2.266 3.326 ( -1.571 0.900 1.259) 2.205 3.346 ( -2.057 0.335 -3.497) 4.071 3.489 ( -2.277 -0.814 -0.641) 2.502 3.527 ( 2.137 -1.745 -0.530) 2.809 3.589 ( -1.328 -0.753 1.223) 1.956 3.610 ( 0.292 -0.068 -0.295) 0.420 3.670 ( -0.923 -0.005 -0.662) 1.136 3.678 ( 0.154 1.090 -0.640) 1.274 3.968 ( -2.350 -0.779 -1.219) 2.759 3.982 ( 0.867 -0.937 1.445) 1.928 4.163 ( -0.075 -0.171 0.000) 0.187 4.175 ( 1.379 -0.250 0.031) 1.402 4.406 ( -1.396 -0.347 0.749) 1.622 4.416 ( -0.939 -0.255 -0.371) 1.041 4.530 ( 0.121 -0.065 0.491) 0.510 4.550 ( 2.166 -0.050 0.070) 2.168 5.214 ( 0.409 -0.129 2.406) 2.444 5.227 ( -0.599 -0.406 -2.282) 2.394 6.383 ( 0.245 0.549 0.304) 0.673 6.388 ( 0.298 0.577 -0.614) 0.893 8.644 ( 0.771 0.451 1.705) 1.925 8.649 ( -0.755 0.324 -1.909) 2.078 13.369 ( -2.276 0.481 0.583) 2.399 13.389 ( 0.675 0.401 1.222) 1.453 13.404 ( 0.314 0.312 3.903) 3.928 13.462 ( 1.556 1.181 -5.286) 5.635 13.519 ( 1.049 0.920 5.228) 5.411 13.552 ( -0.679 1.390 -5.000) 5.234 13.654 ( 2.127 -0.552 3.776) 4.369 13.678 ( 0.625 -0.399 -3.895) 3.965 14.014 ( -0.379 -0.498 0.672) 0.919 14.019 ( -0.853 -0.530 -0.965) 1.392 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -10.899 2.819 5.414) 12.492 0.804 ( -14.409 3.572 -9.279) 17.507 1.100 ( 5.672 -1.614 -6.376) 8.685 1.343 ( -4.585 1.724 6.727) 8.321 1.407 ( -3.019 -4.831 2.770) 6.335 1.435 ( 0.825 2.027 0.019) 2.188 1.486 ( 3.527 -5.527 -1.403) 6.705 1.651 ( 3.012 -2.073 3.638) 5.157 1.754 ( 3.912 -2.290 1.237) 4.699 1.863 ( -6.068 0.134 2.315) 6.496 1.878 ( -0.536 0.245 -6.327) 6.354 1.932 ( 1.620 -3.134 -2.839) 4.528 2.034 ( -2.455 0.028 5.357) 5.892 2.080 ( -1.108 1.781 -0.286) 2.117 2.227 ( 3.528 1.108 1.687) 4.064 2.258 ( 0.998 -3.637 -4.063) 5.544 2.390 ( 2.757 -0.880 0.595) 2.955 2.399 ( 3.071 0.961 1.709) 3.644 2.536 ( -4.847 -1.136 1.794) 5.292 2.561 ( -2.793 3.483 0.480) 4.490 2.658 ( 0.418 1.208 0.874) 1.549 2.705 ( 1.907 4.950 -3.854) 6.557 2.790 ( -1.143 -1.151 -0.123) 1.627 2.892 ( 1.252 1.804 -0.387) 2.230 2.922 ( -4.192 1.406 0.297) 4.431 3.052 ( 0.701 -0.792 -0.068) 1.060 3.167 ( -0.971 0.531 -3.723) 3.884 3.218 ( 0.084 1.344 0.764) 1.548 3.243 ( -5.659 0.725 -1.064) 5.804 3.300 ( -4.508 0.353 2.438) 5.138 3.453 ( -2.207 0.464 0.696) 2.360 3.535 ( -1.172 -1.602 -1.032) 2.237 3.578 ( 0.362 -0.051 0.684) 0.776 3.604 ( -1.281 -1.407 -0.463) 1.958 3.642 ( -1.735 -0.043 -0.470) 1.798 3.678 ( -0.078 0.903 0.542) 1.057 3.899 ( -3.782 -0.164 -1.797) 4.190 3.991 ( -0.916 -1.316 -0.042) 1.604 4.169 ( 0.977 -0.291 -0.182) 1.035 4.212 ( 2.286 -0.221 0.808) 2.434 4.380 ( -2.187 -0.296 0.024) 2.207 4.393 ( -1.838 0.287 0.843) 2.042 4.552 ( 1.719 -0.340 0.238) 1.769 4.596 ( 3.249 -0.329 0.016) 3.265 5.187 ( -0.651 0.055 -2.232) 2.326 5.247 ( 0.288 -0.064 1.865) 1.889 6.387 ( 0.590 0.501 -0.133) 0.786 6.402 ( 0.805 0.515 0.732) 1.204 8.620 ( -0.528 0.688 -1.316) 1.576 8.673 ( 0.652 0.304 1.468) 1.635 13.314 ( -2.890 0.034 -1.756) 3.382 13.392 ( -0.067 -0.052 -1.272) 1.275 13.424 ( -1.682 0.563 0.455) 1.831 13.460 ( 3.301 1.539 -3.002) 4.720 13.528 ( 1.735 1.886 -0.168) 2.568 13.590 ( 1.249 -0.435 2.978) 3.258 13.677 ( 2.738 -0.061 -0.414) 2.770 13.746 ( 4.177 -0.847 3.291) 5.385 13.990 ( -1.720 -0.409 -0.326) 1.797 14.008 ( -1.261 -0.448 0.631) 1.479 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -11.455 5.424 -0.500) 12.684 0.680 ( -9.117 2.785 11.654) 15.056 1.078 ( 2.390 -0.780 -8.963) 9.309 1.321 ( -12.313 3.449 11.783) 17.389 1.358 ( -2.139 0.397 -4.575) 5.066 1.454 ( 1.360 -3.392 1.795) 4.072 1.521 ( 2.969 -4.489 -0.371) 5.395 1.686 ( 1.356 -5.727 -1.216) 6.010 1.753 ( -2.095 -2.010 -5.970) 6.638 1.830 ( -1.629 0.579 3.564) 3.961 1.860 ( 4.759 -1.571 0.729) 5.064 1.997 ( 4.492 1.014 1.572) 4.866 2.054 ( -2.468 2.661 4.975) 6.158 2.091 ( 1.898 1.544 -1.212) 2.730 2.202 ( -1.171 -5.631 -2.830) 6.410 2.270 ( -0.664 0.627 -0.918) 1.295 2.421 ( 1.223 2.857 -2.060) 3.729 2.442 ( -0.184 -2.561 1.234) 2.849 2.478 ( -1.767 1.403 -0.784) 2.389 2.534 ( 0.640 2.204 -0.515) 2.352 2.635 ( -1.837 2.255 -2.672) 3.949 2.723 ( 2.143 3.031 2.476) 4.463 2.792 ( 0.178 -1.146 -0.474) 1.252 2.843 ( -4.618 1.209 -0.874) 4.853 2.923 ( 1.164 -0.402 1.252) 1.756 3.038 ( -0.783 -0.936 -3.126) 3.356 3.080 ( -5.069 -3.794 -2.199) 6.702 3.160 ( -3.849 1.833 0.411) 4.282 3.195 ( -1.961 3.462 -1.239) 4.167 3.282 ( -1.097 0.202 2.361) 2.612 3.437 ( -1.091 0.597 1.443) 1.905 3.501 ( -1.482 0.346 -0.179) 1.533 3.557 ( -2.135 -1.547 -1.413) 2.991 3.586 ( -3.225 -0.179 0.649) 3.294 3.624 ( 1.010 -0.822 0.395) 1.361 3.676 ( -0.482 0.252 -0.455) 0.709 3.827 ( -3.068 0.891 -0.834) 3.302 3.948 ( -3.300 -1.296 -1.699) 3.931 4.187 ( 1.021 -0.854 0.481) 1.415 4.256 ( 1.958 -0.689 0.614) 2.164 4.352 ( -1.310 -0.445 0.532) 1.482 4.379 ( -1.285 0.179 1.233) 1.789 4.581 ( 1.688 -0.052 0.143) 1.695 4.645 ( 2.929 -0.477 -0.431) 2.998 5.165 ( 0.309 0.561 -1.209) 1.368 5.261 ( -0.194 0.064 0.556) 0.592 6.400 ( 0.846 0.473 0.361) 1.034 6.422 ( 0.611 0.343 0.833) 1.089 8.610 ( 0.319 0.677 0.010) 0.749 8.694 ( 0.581 0.510 0.580) 0.967 13.256 ( -2.021 -0.024 -1.194) 2.348 13.381 ( -0.257 -1.189 -1.019) 1.587 13.384 ( -1.100 1.701 -1.859) 2.749 13.475 ( 1.579 0.347 -2.495) 2.974 13.567 ( 1.576 1.088 1.407) 2.376 13.621 ( 1.575 1.240 -0.245) 2.020 13.749 ( 3.498 -1.135 2.780) 4.610 13.838 ( 3.238 -1.036 1.840) 3.866 13.964 ( -1.483 -0.292 0.814) 1.717 13.992 ( -0.990 -0.394 0.240) 1.092 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 1.211 1.506 18.413) 18.514 0.698 ( -5.741 3.994 14.195) 15.824 1.012 ( 1.780 0.468 -9.064) 9.249 1.234 ( -11.494 2.813 10.728) 15.973 1.257 ( -1.531 1.266 -7.825) 8.073 1.491 ( 2.117 -3.762 -1.279) 4.502 1.565 ( 0.339 -2.998 3.388) 4.537 1.647 ( 0.147 -5.805 -5.363) 7.904 1.717 ( -1.616 -3.267 -0.551) 3.686 1.875 ( 2.691 -0.012 2.713) 3.821 1.932 ( 4.680 2.590 -1.609) 5.586 2.019 ( -3.706 -0.790 -4.589) 5.951 2.049 ( -2.718 2.357 1.581) 3.930 2.096 ( 2.472 -0.120 3.639) 4.401 2.178 ( -3.376 -0.771 1.986) 3.992 2.274 ( 5.221 0.226 0.318) 5.236 2.392 ( 0.447 4.137 -4.713) 6.287 2.430 ( -0.251 0.320 -4.398) 4.417 2.476 ( 2.176 -0.043 1.899) 2.889 2.560 ( 0.504 0.334 -0.662) 0.896 2.587 ( -0.122 -0.865 -0.824) 1.201 2.729 ( -5.482 -0.204 -1.763) 5.762 2.759 ( -0.990 0.745 0.505) 1.338 2.801 ( -2.005 0.009 -0.303) 2.027 2.900 ( -1.380 -0.006 -2.435) 2.799 2.960 ( -6.202 -1.196 -0.820) 6.370 3.053 ( 2.546 0.403 2.735) 3.759 3.133 ( -0.546 -0.341 0.721) 0.966 3.171 ( 0.159 2.458 -0.308) 2.483 3.278 ( -0.493 -0.429 -1.958) 2.064 3.453 ( 0.179 -0.177 2.511) 2.524 3.480 ( -1.276 -0.923 -0.520) 1.658 3.523 ( -1.709 -0.474 0.551) 1.857 3.529 ( -2.087 1.787 -0.022) 2.748 3.637 ( -0.255 -0.051 -1.015) 1.047 3.653 ( -0.603 0.206 -1.967) 2.067 3.796 ( -0.743 0.561 0.937) 1.321 3.870 ( -3.491 -0.604 -0.847) 3.643 4.211 ( 0.696 -1.609 1.436) 2.266 4.276 ( 0.300 -1.277 -0.292) 1.344 4.353 ( 0.307 -1.149 0.726) 1.394 4.374 ( -0.921 -0.413 0.922) 1.367 4.612 ( 1.422 0.322 0.931) 1.730 4.674 ( 1.509 -0.367 -1.014) 1.855 5.173 ( 1.375 0.465 0.038) 1.452 5.252 ( -0.896 0.108 -0.720) 1.154 6.419 ( 0.728 0.446 0.625) 1.058 6.436 ( 0.125 0.271 0.595) 0.665 8.628 ( 1.123 0.139 0.965) 1.487 8.701 ( 0.212 0.761 -0.850) 1.160 13.232 ( -0.253 -0.097 0.059) 0.277 13.328 ( -2.552 -0.914 -1.856) 3.286 13.388 ( 1.017 0.818 -0.120) 1.310 13.451 ( -1.830 0.281 -0.874) 2.048 13.607 ( 2.295 1.483 0.231) 2.742 13.638 ( 0.596 2.038 -0.104) 2.126 13.820 ( 2.841 -1.155 0.462) 3.101 13.868 ( -0.693 -0.812 0.531) 1.192 13.969 ( -0.336 -0.736 2.123) 2.272 13.993 ( 1.160 -0.879 -0.285) 1.483 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 1.268 4.611 10.585) 11.615 0.902 ( 0.711 3.386 11.904) 12.397 0.964 ( -0.017 2.079 -8.321) 8.577 1.148 ( 1.476 0.184 -11.031) 11.131 1.206 ( -0.640 -4.383 5.305) 6.911 1.295 ( -0.622 -9.327 -4.425) 10.342 1.515 ( -1.726 -3.012 1.168) 3.662 1.565 ( 4.066 -3.652 -3.173) 6.320 1.742 ( -4.544 4.553 7.636) 9.984 1.872 ( -2.224 -3.819 0.031) 4.420 1.974 ( 1.122 4.609 1.670) 5.029 2.029 ( 1.093 3.954 -2.949) 5.052 2.088 ( -0.854 2.166 1.574) 2.811 2.177 ( 2.221 1.721 -3.312) 4.343 2.216 ( -0.653 -0.412 8.678) 8.713 2.303 ( -1.738 -1.911 2.992) 3.953 2.354 ( 3.742 -0.418 -4.217) 5.654 2.418 ( -0.707 0.908 -6.124) 6.231 2.492 ( 0.059 -1.281 1.267) 1.803 2.552 ( 1.543 -2.825 -3.620) 4.844 2.580 ( -1.535 0.939 -1.200) 2.163 2.601 ( -2.568 0.086 -3.247) 4.141 2.705 ( -2.011 1.581 2.856) 3.834 2.765 ( 2.131 -0.239 -3.043) 3.722 2.892 ( -1.668 -0.824 0.493) 1.924 2.917 ( 2.297 -1.567 -1.580) 3.198 3.093 ( 0.207 -1.026 3.124) 3.295 3.130 ( -0.298 -1.279 -0.482) 1.399 3.251 ( -0.931 2.671 1.008) 3.003 3.261 ( 1.195 3.263 0.303) 3.488 3.423 ( -0.284 -0.506 1.089) 1.234 3.456 ( 1.118 -1.044 -2.121) 2.616 3.556 ( 0.866 1.511 2.581) 3.114 3.595 ( 0.468 1.878 1.683) 2.565 3.604 ( -1.425 0.013 -1.876) 2.355 3.627 ( -0.526 0.235 -1.157) 1.293 3.804 ( 0.614 -0.396 0.663) 0.986 3.820 ( -0.295 -0.892 -0.786) 1.225 4.220 ( 0.298 0.525 1.271) 1.407 4.252 ( -0.011 0.125 -1.690) 1.694 4.321 ( -0.336 -2.266 1.118) 2.549 4.339 ( 0.025 -1.979 -0.693) 2.097 4.645 ( -0.138 0.290 1.356) 1.393 4.664 ( -0.293 -0.492 -0.489) 0.753 5.204 ( 0.784 0.222 0.410) 0.912 5.219 ( -0.752 -0.319 -1.128) 1.393 6.444 ( 0.212 0.410 0.438) 0.636 6.446 ( -0.190 0.304 0.235) 0.429 8.664 ( 0.560 0.532 1.025) 1.283 8.686 ( -0.408 -0.255 -1.208) 1.300 13.245 ( 1.011 -0.054 0.556) 1.155 13.256 ( -1.048 -0.641 -0.558) 1.350 13.426 ( -0.037 0.789 0.540) 0.956 13.436 ( -0.113 0.402 -0.489) 0.643 13.675 ( -1.474 2.676 0.259) 3.066 13.689 ( 1.454 2.446 -1.038) 3.029 13.820 ( -0.553 -2.256 0.697) 2.425 13.829 ( 0.530 -2.009 -0.299) 2.100 13.976 ( -0.621 0.533 1.154) 1.415 13.988 ( 0.547 -0.235 -0.037) 0.597 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.302 3.445 -1.443) 3.747 0.882 ( 0.941 3.420 -2.914) 4.591 1.024 ( -1.242 2.614 -11.152) 11.521 1.068 ( 4.585 0.682 9.944) 10.971 1.269 ( 1.275 -7.533 -0.675) 7.670 1.288 ( 4.080 -5.741 2.725) 7.552 1.467 ( -5.225 -2.289 1.227) 5.835 1.566 ( 1.782 -5.795 -3.376) 6.940 1.802 ( -0.623 1.664 9.576) 9.739 1.833 ( -2.041 -1.187 -2.296) 3.294 1.995 ( -1.729 3.900 -1.249) 4.445 2.005 ( 2.372 6.447 -2.165) 7.203 2.094 ( 0.111 -1.989 1.465) 2.473 2.194 ( 1.516 1.138 -1.352) 2.328 2.234 ( -1.804 -0.801 0.248) 1.989 2.316 ( 0.746 3.898 -2.127) 4.503 2.337 ( -1.239 -1.073 -2.468) 2.963 2.385 ( 1.275 1.168 3.003) 3.465 2.483 ( -1.740 -0.936 -0.300) 1.998 2.529 ( -2.478 0.993 2.571) 3.706 2.551 ( 1.832 -1.651 -2.233) 3.327 2.611 ( 3.786 -3.970 3.976) 6.775 2.778 ( 4.356 2.115 1.602) 5.101 2.828 ( 7.841 0.106 -2.271) 8.164 2.855 ( -2.829 -0.367 0.235) 2.862 2.943 ( 2.347 -2.080 -0.957) 3.279 3.094 ( -2.328 -0.357 -1.648) 2.874 3.115 ( -0.158 -1.296 1.785) 2.212 3.250 ( 0.091 3.547 -0.142) 3.551 3.284 ( 1.774 2.117 -0.483) 2.803 3.435 ( 1.082 -0.119 -0.040) 1.089 3.470 ( 2.364 -1.461 -1.469) 3.143 3.560 ( -0.604 1.714 -1.664) 2.464 3.598 ( 0.614 0.311 2.114) 2.223 3.615 ( 0.527 1.002 -0.818) 1.397 3.634 ( 1.920 0.464 1.210) 2.317 3.820 ( 1.483 -0.193 -1.016) 1.808 3.840 ( 2.816 -0.923 0.716) 3.048 4.220 ( -1.047 0.062 -0.675) 1.248 4.242 ( -0.198 -0.128 0.309) 0.388 4.324 ( 0.166 -1.648 0.298) 1.683 4.346 ( 1.072 -2.039 0.076) 2.305 4.639 ( -1.860 0.143 -0.157) 1.873 4.646 ( -1.572 -0.150 0.787) 1.764 5.192 ( -1.080 0.670 -0.542) 1.382 5.226 ( 0.889 -0.766 0.553) 1.297 6.438 ( -0.717 0.529 -0.122) 0.899 6.448 ( -0.146 0.177 0.029) 0.231 8.659 ( -1.020 0.715 -0.792) 1.476 8.685 ( 0.375 -0.346 0.573) 0.767 13.242 ( 0.301 0.427 -0.560) 0.765 13.282 ( 2.307 -1.074 0.556) 2.604 13.413 ( -1.255 1.516 0.215) 1.980 13.448 ( 0.893 -0.062 0.056) 0.897 13.645 ( -2.506 2.552 0.645) 3.634 13.692 ( -0.256 2.038 -0.485) 2.110 13.795 ( -2.312 -1.667 0.222) 2.859 13.839 ( 0.244 -2.496 -0.281) 2.523 13.973 ( -0.660 0.552 0.425) 0.960 13.993 ( 0.416 -0.049 -0.413) 0.589 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 1.371 5.200 -11.963) 13.116 0.906 ( 2.526 -0.160 -6.906) 7.355 0.965 ( 0.768 5.121 4.274) 6.714 1.231 ( 4.018 -1.848 5.357) 6.946 1.280 ( -0.073 -5.583 1.921) 5.905 1.354 ( -1.948 -5.256 2.669) 6.209 1.438 ( 0.491 -2.850 3.487) 4.530 1.597 ( 4.548 -5.643 -0.176) 7.249 1.753 ( -2.268 1.311 -4.659) 5.345 1.829 ( -4.497 -0.503 1.303) 4.709 1.998 ( 0.748 -0.355 4.076) 4.159 2.018 ( 3.720 4.037 -3.833) 6.696 2.054 ( -3.402 1.123 -3.807) 5.227 2.153 ( -3.474 2.409 0.149) 4.230 2.242 ( 3.778 0.497 -6.120) 7.209 2.281 ( 1.011 1.071 -1.984) 2.471 2.363 ( 0.500 -1.266 2.826) 3.136 2.426 ( -0.981 1.059 3.798) 4.063 2.485 ( 1.418 0.176 1.084) 1.793 2.567 ( 2.756 4.296 3.773) 6.348 2.591 ( 3.389 -1.150 1.317) 3.814 2.715 ( 1.466 -3.456 3.401) 5.066 2.813 ( -1.568 0.069 -1.273) 2.021 2.818 ( 1.295 -1.251 1.633) 2.431 2.929 ( 4.842 3.029 -1.388) 5.877 2.974 ( 2.480 -1.095 0.482) 2.753 3.033 ( -2.467 0.309 -1.442) 2.874 3.166 ( 4.327 -1.519 1.534) 4.836 3.252 ( 0.632 2.546 -0.306) 2.641 3.313 ( 2.801 0.222 -0.854) 2.936 3.453 ( 1.457 -0.677 -1.116) 1.956 3.476 ( 0.950 -0.468 -1.189) 1.592 3.566 ( 2.009 0.373 -0.125) 2.048 3.617 ( 1.433 2.441 -0.451) 2.866 3.625 ( 0.305 -0.821 -0.084) 0.880 3.667 ( 1.340 -0.121 0.485) 1.430 3.849 ( 2.762 1.197 -0.182) 3.016 3.902 ( 3.688 -1.101 0.723) 3.916 4.191 ( -1.409 -0.017 -0.829) 1.635 4.230 ( -2.049 -1.033 0.733) 2.409 4.341 ( 1.679 -0.686 -0.039) 1.814 4.368 ( 1.402 -1.490 0.205) 2.056 4.599 ( -2.396 0.519 -0.449) 2.492 4.620 ( -2.754 -0.393 0.895) 2.922 5.175 ( -0.689 1.393 0.068) 1.555 5.243 ( 0.542 -1.402 0.410) 1.558 6.422 ( -0.899 0.698 -0.377) 1.198 6.440 ( -0.519 0.012 -0.405) 0.658 8.638 ( -0.722 1.282 -0.483) 1.549 8.691 ( -0.086 -0.847 0.165) 0.867 13.252 ( 1.441 0.960 -0.025) 1.732 13.323 ( 1.894 -1.847 0.619) 2.717 13.397 ( -1.723 2.501 1.518) 3.395 13.457 ( -0.160 -0.200 0.498) 0.560 13.616 ( -1.699 2.137 0.130) 2.734 13.671 ( -1.816 1.713 -0.138) 2.500 13.755 ( -2.323 -0.925 -0.840) 2.637 13.823 ( -1.544 -2.395 -1.090) 3.051 13.971 ( 0.373 0.344 -0.118) 0.521 13.997 ( 0.904 -0.285 -0.527) 1.085 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 7.390 4.788 0.533) 8.821 0.893 ( 5.310 -1.318 -6.310) 8.352 1.027 ( 0.107 5.147 3.689) 6.333 1.284 ( 0.663 -7.685 1.878) 7.939 1.310 ( -0.048 -3.666 1.196) 3.856 1.364 ( -2.953 0.307 7.291) 7.873 1.463 ( -0.083 -4.230 -1.072) 4.365 1.638 ( -2.479 -6.034 -2.040) 6.834 1.720 ( 2.034 1.252 -0.873) 2.543 1.766 ( 1.399 0.052 -1.210) 1.850 1.936 ( -6.192 3.769 -0.094) 7.249 2.046 ( 4.173 3.628 -4.870) 7.369 2.085 ( 2.134 -3.075 2.686) 4.607 2.119 ( -0.796 1.843 1.667) 2.609 2.183 ( 0.738 -0.439 -8.319) 8.364 2.268 ( -2.720 -1.139 -1.382) 3.256 2.379 ( 0.297 0.639 -0.326) 0.776 2.445 ( -0.390 1.747 0.720) 1.930 2.529 ( 2.524 -0.466 0.714) 2.664 2.652 ( 3.126 -2.096 -1.403) 4.017 2.656 ( 0.831 4.866 2.736) 5.645 2.704 ( -2.289 2.326 4.407) 5.484 2.807 ( 2.329 0.261 -1.250) 2.656 2.906 ( 3.322 -1.981 4.656) 6.053 2.936 ( -0.521 0.849 -0.929) 1.363 3.003 ( -0.933 -0.129 1.002) 1.375 3.036 ( 3.040 1.844 1.777) 3.975 3.253 ( 3.693 -2.988 -0.662) 4.796 3.267 ( 1.422 2.588 1.803) 3.460 3.351 ( 2.896 0.100 -0.834) 3.015 3.451 ( 1.162 -0.510 -1.956) 2.331 3.493 ( 1.392 -1.297 -0.454) 1.956 3.598 ( 1.810 -0.429 -0.372) 1.897 3.613 ( -0.322 -0.418 -1.274) 1.379 3.647 ( 2.429 2.141 0.179) 3.243 3.692 ( 0.746 0.313 0.609) 1.012 3.893 ( 2.607 1.408 0.188) 2.969 3.958 ( 2.304 -1.303 0.187) 2.654 4.163 ( -1.340 -0.003 -0.091) 1.344 4.201 ( -2.222 -1.187 0.524) 2.573 4.369 ( 1.676 -0.290 0.011) 1.701 4.392 ( 1.320 -0.995 0.020) 1.653 4.560 ( -1.984 0.482 -0.233) 2.055 4.582 ( -2.880 -0.389 0.573) 2.962 5.173 ( -0.106 1.443 0.741) 1.625 5.249 ( 0.042 -1.607 -0.288) 1.633 6.404 ( -0.696 0.782 -0.351) 1.104 6.424 ( -0.626 0.022 -0.706) 0.944 8.629 ( -0.116 1.424 0.176) 1.439 8.686 ( -0.273 -0.896 -0.442) 1.036 13.287 ( 2.019 0.955 1.210) 2.540 13.351 ( 0.740 -1.336 0.907) 1.776 13.398 ( -1.581 2.483 3.730) 4.752 13.461 ( -0.379 0.115 1.514) 1.565 13.588 ( -1.268 1.662 -1.192) 2.407 13.634 ( -2.282 1.375 -0.413) 2.696 13.704 ( -1.723 -0.203 -2.751) 3.252 13.771 ( -2.186 -1.795 -2.643) 3.871 13.982 ( 0.948 0.054 0.053) 0.951 14.010 ( 1.225 -0.760 -0.594) 1.559 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 7.546 0.416 0.369) 7.567 0.963 ( 7.765 -0.923 4.688) 9.117 1.019 ( -2.758 6.403 1.647) 7.164 1.296 ( -2.817 -3.449 2.251) 4.990 1.343 ( 1.847 -6.006 0.592) 6.312 1.376 ( -2.190 -0.307 3.198) 3.888 1.446 ( 1.817 -3.315 -2.711) 4.652 1.520 ( -6.172 -3.761 -3.532) 8.045 1.734 ( 2.825 0.569 -0.687) 2.962 1.846 ( 0.415 1.509 2.128) 2.641 1.862 ( -1.478 1.057 2.022) 2.719 1.986 ( -2.148 1.707 -6.642) 7.187 2.092 ( -0.750 -3.498 -1.172) 3.765 2.119 ( -2.117 -1.269 -3.827) 4.554 2.186 ( 4.071 0.268 1.053) 4.213 2.211 ( -0.890 0.159 -0.098) 0.909 2.379 ( -0.303 2.224 0.441) 2.287 2.428 ( -0.301 1.403 -2.187) 2.616 2.574 ( 2.744 -0.825 -0.316) 2.883 2.606 ( -3.414 -0.922 0.187) 3.542 2.717 ( 2.416 3.520 0.001) 4.269 2.725 ( -1.589 3.595 2.097) 4.455 2.858 ( 4.428 1.600 0.182) 4.712 2.908 ( -1.730 1.853 0.182) 2.541 2.996 ( 1.476 -1.080 1.562) 2.405 3.004 ( -0.526 -1.100 2.140) 2.463 3.106 ( 1.090 1.050 5.036) 5.258 3.261 ( 0.640 0.280 -1.947) 2.069 3.319 ( 1.020 -1.265 1.662) 2.325 3.384 ( 2.115 1.701 -0.771) 2.822 3.452 ( 0.623 -2.394 -1.044) 2.685 3.492 ( 0.592 -1.599 -2.686) 3.181 3.598 ( -0.279 0.703 0.243) 0.794 3.617 ( 0.723 0.305 -0.396) 0.879 3.686 ( 1.514 1.341 0.447) 2.071 3.700 ( -0.149 0.716 0.199) 0.759 3.932 ( 1.590 0.216 0.695) 1.749 3.974 ( 0.024 -1.360 -0.676) 1.518 4.151 ( -0.293 0.031 0.571) 0.642 4.176 ( -1.090 -0.693 -0.086) 1.295 4.391 ( 0.792 -0.451 0.339) 0.973 4.406 ( 0.478 -0.866 -0.214) 1.012 4.537 ( -0.489 0.306 0.025) 0.577 4.547 ( -1.865 -0.043 0.310) 1.891 5.186 ( 0.388 0.756 1.343) 1.589 5.238 ( -0.429 -1.310 -1.116) 1.774 6.395 ( -0.174 0.742 -0.084) 0.767 6.408 ( -0.363 0.228 -0.764) 0.876 8.637 ( 0.380 1.085 0.781) 1.390 8.674 ( -0.369 -0.445 -0.918) 1.085 13.337 ( 1.844 0.429 2.169) 2.879 13.373 ( 0.429 -0.635 1.298) 1.507 13.418 ( -1.539 2.443 4.368) 5.236 13.481 ( 0.490 0.466 1.977) 2.090 13.550 ( -1.137 1.793 -1.949) 2.882 13.604 ( -0.939 0.194 0.517) 1.090 13.644 ( -1.058 0.560 -4.205) 4.372 13.707 ( -1.052 -1.365 -4.039) 4.391 13.997 ( 0.569 -0.128 0.410) 0.713 14.017 ( 0.450 -0.780 -0.699) 1.140 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -7.198 4.636 -0.236) 8.565 1.025 ( 6.424 0.586 -1.434) 6.608 1.147 ( -7.482 -1.403 -3.430) 8.349 1.239 ( 6.487 -3.884 2.345) 7.917 1.332 ( -4.592 -2.788 3.856) 6.613 1.380 ( -2.705 -1.051 2.287) 3.694 1.431 ( 2.180 -0.983 -3.265) 4.047 1.506 ( 6.519 -2.655 -0.965) 7.104 1.769 ( -5.314 2.181 -1.188) 5.866 1.806 ( 2.077 -0.740 4.837) 5.316 1.890 ( -2.042 -1.970 -1.412) 3.169 1.929 ( 3.059 0.932 -2.366) 3.978 2.040 ( -3.313 -1.610 1.820) 4.108 2.113 ( 4.218 -2.939 -0.868) 5.214 2.186 ( -3.290 1.607 -0.009) 3.661 2.234 ( 0.820 -0.188 -0.832) 1.184 2.365 ( -2.455 1.524 1.288) 3.163 2.419 ( 1.965 0.852 -1.111) 2.413 2.553 ( -3.590 0.711 0.748) 3.736 2.619 ( 3.024 -0.192 -0.116) 3.033 2.695 ( -3.130 3.574 1.534) 4.993 2.759 ( 3.058 1.906 -1.482) 3.896 2.874 ( -2.268 2.370 -0.831) 3.385 2.918 ( 2.642 1.466 -0.640) 3.088 2.979 ( -3.568 0.023 2.341) 4.268 3.033 ( 1.168 -0.175 -0.761) 1.405 3.172 ( -0.661 -0.916 5.978) 6.084 3.228 ( -0.058 -0.723 -5.348) 5.397 3.331 ( -2.698 0.909 3.019) 4.150 3.382 ( -0.528 2.127 -2.841) 3.588 3.444 ( -1.084 -2.937 0.512) 3.172 3.474 ( 0.759 -2.654 -1.824) 3.309 3.600 ( -0.658 1.333 1.147) 1.878 3.617 ( 0.223 0.462 -1.051) 1.169 3.686 ( -1.602 1.290 0.478) 2.112 3.702 ( -0.157 0.944 -0.136) 0.967 3.948 ( -1.884 -0.908 -0.900) 2.277 3.957 ( 0.165 -1.265 0.992) 1.616 4.162 ( 0.422 0.099 0.120) 0.450 4.170 ( 1.306 -0.168 -0.132) 1.323 4.395 ( -1.007 -0.524 0.268) 1.166 4.404 ( -0.295 -0.819 -0.227) 0.899 4.534 ( -0.076 0.380 0.410) 0.565 4.548 ( 1.508 -0.162 0.195) 1.529 5.210 ( 0.270 -0.191 1.166) 1.212 5.216 ( -0.181 -0.511 -1.089) 1.216 6.396 ( 0.157 0.589 0.076) 0.615 6.400 ( 0.370 0.467 -0.366) 0.699 8.655 ( 0.525 0.414 0.911) 1.130 8.656 ( -0.379 0.324 -1.053) 1.165 13.369 ( -1.600 -0.224 -0.588) 1.719 13.376 ( 0.132 -0.735 1.081) 1.314 13.448 ( -0.469 2.710 4.023) 4.873 13.493 ( 1.037 1.258 -2.422) 2.920 13.547 ( 0.323 1.601 3.597) 3.950 13.587 ( 0.552 1.800 -4.750) 5.110 13.631 ( 1.633 -1.570 3.206) 3.926 13.662 ( 1.105 -1.183 -3.967) 4.285 14.005 ( -0.360 -0.313 0.544) 0.724 14.008 ( -0.714 -0.428 -0.626) 1.041 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -6.994 4.049 2.278) 8.396 0.870 ( -11.190 2.111 -10.267) 15.333 1.108 ( 4.566 3.215 -3.797) 6.752 1.289 ( -4.148 -4.497 2.511) 6.613 1.326 ( -0.396 -7.387 -1.399) 7.529 1.374 ( -0.419 -1.546 5.931) 6.143 1.479 ( 4.716 2.128 -2.336) 5.677 1.619 ( 6.268 -2.239 0.040) 6.656 1.696 ( -1.047 -1.214 -0.586) 1.707 1.782 ( -4.600 -4.997 -1.237) 6.903 1.896 ( -4.232 3.363 6.303) 8.304 1.983 ( 5.281 3.526 -0.714) 6.389 2.036 ( -1.918 -0.071 3.821) 4.276 2.119 ( -0.336 1.267 0.221) 1.329 2.173 ( -2.122 -3.310 -2.582) 4.703 2.237 ( 4.257 -1.777 1.403) 4.822 2.352 ( -0.920 0.717 1.395) 1.818 2.447 ( 0.511 -1.729 1.859) 2.590 2.517 ( -1.096 3.063 -0.120) 3.255 2.651 ( -1.617 0.654 -0.521) 1.821 2.670 ( 0.966 3.242 1.228) 3.599 2.778 ( 0.165 -0.267 -0.603) 0.680 2.815 ( -1.240 4.417 -4.449) 6.391 2.925 ( -1.797 0.725 0.678) 2.053 2.948 ( -1.617 1.274 0.248) 2.074 3.026 ( -0.622 -1.410 -1.038) 1.858 3.132 ( -2.991 -2.257 -6.951) 7.897 3.210 ( -1.978 -2.799 3.757) 5.086 3.304 ( -3.969 3.411 1.278) 5.387 3.325 ( -2.297 2.361 -1.197) 3.505 3.428 ( -1.617 -2.148 0.868) 2.826 3.482 ( 0.830 -3.010 0.182) 3.127 3.590 ( -1.727 0.899 0.089) 1.949 3.604 ( -0.360 0.747 -0.347) 0.899 3.652 ( -2.638 1.177 -0.395) 2.916 3.693 ( -0.999 0.333 0.477) 1.156 3.900 ( -2.915 0.342 -0.534) 2.983 3.955 ( -1.615 -1.875 0.541) 2.533 4.171 ( 1.345 0.523 -0.745) 1.624 4.204 ( 2.334 -0.533 0.161) 2.400 4.371 ( -1.838 -0.293 -0.140) 1.867 4.390 ( -1.358 -0.621 0.185) 1.505 4.552 ( 1.584 0.418 0.511) 1.716 4.585 ( 2.545 -0.746 0.275) 2.666 5.193 ( -0.203 0.592 -1.261) 1.408 5.236 ( 0.579 -0.956 1.054) 1.536 6.400 ( 0.549 0.683 -0.023) 0.877 6.412 ( 0.724 0.291 0.434) 0.893 8.639 ( -0.264 1.062 -0.852) 1.387 8.674 ( 0.689 -0.299 0.755) 1.065 13.318 ( -2.682 0.409 -1.685) 3.194 13.367 ( -1.427 -1.738 -0.348) 2.275 13.458 ( -1.123 2.061 -0.159) 2.352 13.490 ( 0.997 0.932 -1.864) 2.310 13.576 ( 2.340 2.559 -1.205) 3.671 13.606 ( 1.814 1.827 3.324) 4.205 13.669 ( 3.102 -0.942 -1.019) 3.398 13.712 ( 3.601 -2.299 3.193) 5.333 13.985 ( -1.390 -0.011 -0.286) 1.419 13.998 ( -1.110 -0.427 0.506) 1.292 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -7.353 7.880 -2.399) 11.042 0.752 ( -4.492 3.508 6.470) 8.622 1.096 ( 2.067 2.868 -7.357) 8.162 1.249 ( -3.886 -6.815 2.154) 8.135 1.299 ( -1.653 -4.946 -0.365) 5.228 1.410 ( -3.507 -4.965 3.167) 6.854 1.508 ( 4.202 2.740 -4.696) 6.871 1.602 ( -2.573 -1.176 -2.201) 3.585 1.703 ( -1.225 -1.295 -0.918) 2.005 1.794 ( 5.432 -3.247 3.457) 7.212 1.894 ( -3.355 4.782 7.300) 9.350 2.018 ( 2.240 0.367 -0.767) 2.396 2.077 ( -2.372 -0.022 7.554) 7.918 2.085 ( -1.722 -3.127 -2.693) 4.472 2.173 ( 2.747 2.097 -0.187) 3.461 2.299 ( 2.133 0.931 -1.303) 2.667 2.353 ( -0.671 -1.630 1.131) 2.094 2.470 ( -0.055 -2.366 1.772) 2.957 2.514 ( 1.511 4.524 -2.056) 5.194 2.602 ( -1.828 2.420 -1.885) 3.571 2.676 ( -1.399 2.106 -4.054) 4.778 2.760 ( -1.783 -0.180 1.643) 2.431 2.777 ( 2.306 0.225 -2.162) 3.169 2.868 ( -4.524 0.075 -0.922) 4.618 2.936 ( -0.741 1.425 -0.703) 1.754 2.996 ( -5.424 -2.434 -3.234) 6.768 3.015 ( 0.175 -0.314 -0.585) 0.687 3.181 ( -4.274 -2.970 0.354) 5.217 3.255 ( -1.499 2.199 -0.388) 2.689 3.291 ( -2.684 1.873 1.228) 3.495 3.423 ( -0.658 -0.938 1.455) 1.852 3.484 ( -0.381 -1.914 -0.849) 2.128 3.559 ( -2.385 1.056 0.569) 2.669 3.605 ( -1.149 -0.009 0.115) 1.155 3.609 ( -0.712 1.372 0.939) 1.809 3.677 ( -1.383 -0.312 -0.073) 1.420 3.850 ( -2.831 1.207 -0.208) 3.084 3.915 ( -3.416 -1.712 -0.417) 3.844 4.186 ( 1.239 0.774 -0.458) 1.531 4.241 ( 2.179 -0.870 -0.234) 2.358 4.339 ( -1.889 -0.378 0.054) 1.927 4.370 ( -1.293 -0.991 0.137) 1.635 4.587 ( 1.847 0.608 0.697) 2.066 4.628 ( 2.458 -1.033 0.121) 2.669 5.184 ( 0.401 1.241 -0.787) 1.523 5.248 ( 0.184 -1.228 -0.000) 1.242 6.413 ( 0.784 0.690 0.353) 1.102 6.428 ( 0.586 0.128 0.633) 0.872 8.633 ( 0.226 1.411 -0.099) 1.433 8.691 ( 0.770 -0.806 0.152) 1.125 13.263 ( -2.061 0.734 -1.030) 2.418 13.334 ( -2.153 -2.471 -0.391) 3.301 13.430 ( -0.747 2.101 -1.219) 2.541 13.477 ( -0.347 -0.145 -1.434) 1.483 13.615 ( 3.057 3.011 -0.334) 4.304 13.664 ( 2.201 2.566 0.968) 3.516 13.726 ( 3.170 -1.317 1.547) 3.766 13.795 ( 3.106 -2.794 1.703) 4.512 13.964 ( -1.042 0.353 0.425) 1.179 13.985 ( -1.044 -0.302 0.561) 1.223 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -0.129 7.896 10.001) 12.743 0.793 ( -1.466 3.979 9.813) 10.690 1.041 ( 1.590 2.815 -8.305) 8.913 1.208 ( -4.869 -4.847 3.561) 7.738 1.241 ( -2.918 -2.575 -4.047) 5.615 1.355 ( -2.383 -8.354 -2.073) 8.931 1.510 ( 2.366 -1.543 -3.060) 4.164 1.552 ( 0.100 -3.223 -2.414) 4.028 1.728 ( -0.516 3.482 4.410) 5.643 1.874 ( 0.260 -1.777 3.972) 4.359 1.949 ( -1.012 2.241 4.871) 5.457 2.035 ( 1.672 1.779 -2.369) 3.402 2.065 ( 2.341 0.326 -0.923) 2.537 2.130 ( -1.576 1.171 7.913) 8.153 2.179 ( -0.037 0.655 0.202) 0.686 2.301 ( 1.791 0.965 -3.319) 3.893 2.352 ( -0.519 -2.451 0.218) 2.514 2.470 ( -0.286 -1.570 -1.673) 2.312 2.505 ( 1.345 3.609 -3.483) 5.192 2.566 ( 0.243 0.175 -3.944) 3.955 2.599 ( 0.069 1.956 -3.838) 4.309 2.692 ( -3.920 -2.230 -3.258) 5.564 2.774 ( -6.016 0.098 1.325) 6.161 2.834 ( -3.679 2.895 -2.261) 5.199 2.868 ( 2.419 -3.007 -1.171) 4.033 2.931 ( -2.510 -0.746 0.527) 2.671 3.043 ( 1.274 -0.328 2.863) 3.151 3.134 ( -0.958 -1.453 -0.059) 1.742 3.242 ( -0.170 2.349 0.616) 2.435 3.266 ( -1.778 0.902 0.828) 2.158 3.424 ( -1.097 -0.916 1.082) 1.792 3.467 ( 0.043 -1.140 -1.228) 1.677 3.536 ( -1.084 1.817 1.118) 2.393 3.586 ( -1.224 2.671 1.222) 3.182 3.625 ( 0.218 -1.237 0.047) 1.257 3.651 ( -1.233 -0.341 -0.564) 1.398 3.810 ( -1.699 0.758 -0.008) 1.861 3.853 ( -2.998 -1.017 -0.582) 3.219 4.201 ( 0.760 0.752 0.477) 1.170 4.261 ( 0.926 -0.386 -0.933) 1.370 4.319 ( -0.905 -1.495 0.553) 1.832 4.352 ( -0.820 -1.565 -0.266) 1.787 4.622 ( 1.221 0.633 1.107) 1.765 4.659 ( 1.317 -0.937 -0.187) 1.627 5.189 ( 0.841 1.041 -0.193) 1.353 5.241 ( -0.422 -1.001 -0.930) 1.430 6.430 ( 0.669 0.585 0.545) 1.042 6.442 ( 0.202 0.143 0.568) 0.619 8.644 ( 0.676 1.166 0.662) 1.502 8.698 ( 0.337 -0.852 -0.708) 1.158 13.236 ( -0.533 0.582 -0.039) 0.790 13.292 ( -2.455 -1.923 -0.398) 3.144 13.418 ( 0.172 1.526 -0.209) 1.550 13.454 ( -1.037 -0.105 -0.523) 1.166 13.658 ( 2.879 2.957 -0.769) 4.198 13.689 ( 0.504 2.660 -0.205) 2.715 13.787 ( 2.378 -1.866 1.232) 3.264 13.833 ( 0.465 -2.557 0.127) 2.602 13.966 ( 0.048 0.376 1.181) 1.241 13.981 ( -0.222 -0.107 0.574) 0.625 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 1.850 -4.726 5.364) 7.384 0.874 ( 1.850 4.726 5.364) 7.384 1.086 ( -0.974 -7.112 -4.855) 8.666 1.086 ( -0.974 7.112 -4.855) 8.666 1.159 ( 0.944 -1.066 0.080) 1.426 1.159 ( 0.944 1.066 0.080) 1.426 1.501 ( 0.907 -1.776 -1.714) 2.629 1.501 ( 0.907 1.776 -1.714) 2.629 1.803 ( -2.966 -2.297 3.678) 5.254 1.803 ( -2.966 2.297 3.678) 5.254 2.091 ( -4.094 -3.449 4.123) 6.758 2.091 ( -4.094 3.449 4.123) 6.758 2.113 ( 3.795 -3.591 -2.857) 5.955 2.113 ( 3.795 3.591 -2.857) 5.955 2.259 ( 1.191 -2.698 4.899) 5.718 2.259 ( 1.191 2.698 4.899) 5.718 2.372 ( 0.626 -2.839 -2.947) 4.139 2.372 ( 0.626 2.839 -2.947) 4.139 2.512 ( -0.139 -1.491 -3.699) 3.991 2.512 ( -0.139 1.491 -3.699) 3.991 2.597 ( -1.935 -0.524 -2.987) 3.597 2.597 ( -1.935 0.524 -2.987) 3.597 2.750 ( 0.846 -1.837 -0.360) 2.055 2.750 ( 0.846 1.837 -0.360) 2.055 2.879 ( 0.307 -0.610 -1.100) 1.295 2.879 ( 0.307 0.610 -1.100) 1.295 3.096 ( -0.157 -1.245 1.572) 2.011 3.096 ( -0.157 1.245 1.572) 2.011 3.294 ( 0.132 -0.507 1.788) 1.863 3.294 ( 0.132 0.507 1.788) 1.863 3.432 ( 0.844 -1.078 -0.928) 1.654 3.432 ( 0.844 1.078 -0.928) 1.654 3.586 ( -0.252 -1.283 0.571) 1.427 3.586 ( -0.252 1.283 0.571) 1.427 3.625 ( -0.262 -0.743 0.420) 0.893 3.625 ( -0.262 0.743 0.420) 0.893 3.804 ( -0.038 -0.444 -0.323) 0.551 3.804 ( -0.038 0.444 -0.323) 0.551 4.247 ( 0.151 -1.401 0.211) 1.425 4.247 ( 0.151 1.401 0.211) 1.425 4.299 ( -0.018 -1.111 -0.735) 1.332 4.299 ( -0.018 1.111 -0.735) 1.332 4.653 ( -0.235 -0.470 0.534) 0.749 4.653 ( -0.235 0.470 0.534) 0.749 5.211 ( -0.004 -0.389 -0.371) 0.538 5.211 ( -0.004 0.389 -0.371) 0.538 6.449 ( 0.021 -0.048 0.320) 0.324 6.449 ( 0.021 0.048 0.320) 0.324 8.677 ( 0.070 -0.573 -0.030) 0.578 8.677 ( 0.070 0.573 -0.030) 0.578 13.247 ( 0.064 -0.256 0.059) 0.271 13.247 ( 0.064 0.256 0.059) 0.271 13.437 ( -0.048 -0.266 -0.020) 0.271 13.437 ( -0.048 0.266 -0.020) 0.271 13.723 ( -0.405 -0.725 -0.506) 0.973 13.723 ( -0.405 0.725 -0.506) 0.973 13.786 ( 0.262 -0.689 0.227) 0.772 13.786 ( 0.262 0.689 0.227) 0.772 13.987 ( 0.034 -0.233 0.564) 0.612 13.987 ( 0.034 0.233 0.564) 0.612 ======================= Grid point 155 (85/92) ======================= q-point: ( 0.11 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 2.597 -1.991 -5.587) 6.475 0.926 ( 2.597 1.991 -5.587) 6.475 1.044 ( -0.881 -2.332 2.705) 3.678 1.044 ( -0.881 2.332 2.705) 3.678 1.206 ( 4.300 -1.829 -0.233) 4.679 1.206 ( 4.300 1.829 -0.233) 4.679 1.465 ( -2.288 -2.674 -0.441) 3.546 1.465 ( -2.288 2.674 -0.441) 3.546 1.821 ( -1.518 -0.362 4.086) 4.374 1.821 ( -1.518 0.362 4.086) 4.374 2.040 ( -2.619 -1.664 -1.235) 3.339 2.040 ( -2.619 1.664 -1.235) 3.339 2.160 ( 2.744 -4.516 0.611) 5.320 2.160 ( 2.744 4.516 0.611) 5.320 2.277 ( -1.624 -3.872 -1.331) 4.405 2.277 ( -1.624 3.872 -1.331) 4.405 2.372 ( 0.950 -1.474 -0.235) 1.770 2.372 ( 0.950 1.474 -0.235) 1.770 2.508 ( 1.486 -1.708 -1.307) 2.615 2.508 ( 1.486 1.708 -1.307) 2.615 2.558 ( 0.439 -1.501 3.572) 3.899 2.558 ( 0.439 1.501 3.572) 3.899 2.803 ( 2.850 -0.880 -0.859) 3.104 2.803 ( 2.850 0.880 -0.859) 3.104 2.892 ( 3.759 -2.394 -0.131) 4.459 2.892 ( 3.759 2.394 -0.131) 4.459 3.091 ( -1.251 -0.562 0.071) 1.373 3.091 ( -1.251 0.562 0.071) 1.373 3.301 ( -0.081 -0.884 -0.357) 0.956 3.301 ( -0.081 0.884 -0.357) 0.956 3.446 ( 1.998 -0.900 -1.316) 2.556 3.446 ( 1.998 0.900 -1.316) 2.556 3.588 ( 0.052 -0.961 0.330) 1.018 3.588 ( 0.052 0.961 0.330) 1.018 3.634 ( 0.827 -0.536 0.401) 1.064 3.634 ( 0.827 0.536 0.401) 1.064 3.823 ( 2.415 -0.543 0.149) 2.480 3.823 ( 2.415 0.543 0.149) 2.480 4.236 ( -1.425 -0.912 -0.221) 1.706 4.236 ( -1.425 0.912 -0.221) 1.706 4.310 ( 1.588 -0.849 0.040) 1.801 4.310 ( 1.588 0.849 0.040) 1.801 4.642 ( -1.654 -0.173 0.338) 1.697 4.642 ( -1.654 0.173 0.338) 1.697 5.208 ( -0.083 -0.847 0.036) 0.851 5.208 ( -0.083 0.847 0.036) 0.851 6.447 ( -0.425 -0.259 -0.063) 0.502 6.447 ( -0.425 0.259 -0.063) 0.502 8.674 ( -0.292 -0.616 -0.107) 0.690 8.674 ( -0.292 0.616 -0.107) 0.690 13.258 ( 1.283 -1.027 -0.128) 1.648 13.258 ( 1.283 1.027 -0.128) 1.648 13.439 ( 0.098 -0.838 0.113) 0.851 13.439 ( 0.098 0.838 0.113) 0.851 13.699 ( -2.426 -2.003 0.608) 3.204 13.699 ( -2.426 2.003 0.608) 3.204 13.787 ( -0.149 -1.811 -0.398) 1.861 13.787 ( -0.149 1.811 -0.398) 1.861 13.988 ( -0.121 -0.557 -0.081) 0.576 13.988 ( -0.121 0.557 -0.081) 0.576 ======================= Grid point 157 (86/92) ======================= q-point: ( 0.22 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.998 -4.617 -8.259) 9.514 0.859 ( 0.998 4.617 -8.259) 9.514 1.095 ( 1.564 -6.850 3.116) 7.686 1.095 ( 1.564 6.850 3.116) 7.686 1.256 ( 0.564 -1.747 1.994) 2.710 1.256 ( 0.564 1.747 1.994) 2.710 1.485 ( 2.466 -4.689 2.855) 6.018 1.485 ( 2.466 4.689 2.855) 6.018 1.794 ( -3.204 -2.307 -1.129) 4.107 1.794 ( -3.204 2.307 -1.129) 4.107 2.005 ( -0.728 -1.423 -0.057) 1.599 2.005 ( -0.728 1.423 -0.057) 1.599 2.158 ( -0.411 -3.405 -4.088) 5.336 2.158 ( -0.411 3.405 -4.088) 5.336 2.261 ( 0.724 -1.546 -1.611) 2.348 2.261 ( 0.724 1.546 -1.611) 2.348 2.387 ( -0.018 -2.725 3.120) 4.143 2.387 ( -0.018 2.725 3.120) 4.143 2.543 ( 3.117 -2.959 0.665) 4.349 2.543 ( 3.117 2.959 0.665) 4.349 2.648 ( 3.147 -3.037 4.748) 6.455 2.648 ( 3.147 3.037 4.748) 6.455 2.798 ( -0.344 -0.186 -0.656) 0.764 2.798 ( -0.344 0.186 -0.656) 0.764 2.969 ( 2.684 -0.661 0.160) 2.768 2.969 ( 2.684 0.661 0.160) 2.768 3.087 ( 2.457 -4.492 -0.597) 5.154 3.087 ( 2.457 4.492 -0.597) 5.154 3.299 ( 0.808 -1.641 -0.391) 1.870 3.299 ( 0.808 1.641 -0.391) 1.870 3.458 ( 1.601 -0.926 -1.658) 2.484 3.458 ( 1.601 0.926 -1.658) 2.484 3.594 ( 0.554 -1.760 -0.339) 1.876 3.594 ( 0.554 1.760 -0.339) 1.876 3.657 ( 1.452 -1.099 0.518) 1.893 3.657 ( 1.452 1.099 0.518) 1.893 3.876 ( 3.463 -1.326 0.284) 3.719 3.876 ( 3.463 1.326 0.284) 3.719 4.206 ( -2.106 -1.177 0.054) 2.413 4.206 ( -2.106 1.177 0.054) 2.413 4.341 ( 2.028 -0.782 0.154) 2.179 4.341 ( 2.028 0.782 0.154) 2.179 4.610 ( -2.505 -0.512 0.156) 2.561 4.610 ( -2.505 0.512 0.156) 2.561 5.209 ( -0.091 -1.725 0.265) 1.748 5.209 ( -0.091 1.725 0.265) 1.748 6.435 ( -0.699 -0.479 -0.384) 0.930 6.435 ( -0.699 0.479 -0.384) 0.930 8.667 ( -0.383 -1.344 -0.139) 1.405 8.667 ( -0.383 1.344 -0.139) 1.405 13.282 ( 1.796 -1.776 0.066) 2.527 13.282 ( 1.796 1.776 0.066) 2.527 13.440 ( -0.616 -1.407 0.994) 1.830 13.440 ( -0.616 1.407 0.994) 1.830 13.665 ( -2.727 -2.117 0.778) 3.539 13.665 ( -2.727 2.117 0.778) 3.539 13.769 ( -0.871 -2.265 -1.545) 2.877 13.769 ( -0.871 2.265 -1.545) 2.877 13.986 ( 0.309 -0.790 -0.366) 0.924 13.986 ( 0.309 0.790 -0.366) 0.924 ======================= Grid point 159 (87/92) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 4.331 -3.838 -1.739) 6.042 0.842 ( 4.331 3.838 -1.739) 6.042 1.148 ( 1.928 -5.386 1.498) 5.914 1.148 ( 1.928 5.386 1.498) 5.914 1.283 ( -0.857 -2.782 3.841) 4.819 1.283 ( -0.857 2.782 3.841) 4.819 1.515 ( -2.623 -5.255 0.697) 5.915 1.515 ( -2.623 5.255 0.697) 5.915 1.753 ( 2.145 -1.383 -3.406) 4.256 1.753 ( 2.145 1.383 -3.406) 4.256 2.005 ( -1.600 -3.221 1.940) 4.087 2.005 ( -1.600 3.221 1.940) 4.087 2.127 ( 2.348 -2.380 -3.227) 4.647 2.127 ( 2.348 2.380 -3.227) 4.647 2.212 ( -3.219 -3.338 -3.195) 5.632 2.212 ( -3.219 3.338 -3.195) 5.632 2.423 ( 1.071 -2.534 0.486) 2.794 2.423 ( 1.071 2.534 0.486) 2.794 2.576 ( 0.477 -3.674 -0.331) 3.720 2.576 ( 0.477 3.674 -0.331) 3.720 2.732 ( 1.634 -1.259 3.458) 4.027 2.732 ( 1.634 1.259 3.458) 4.027 2.832 ( 3.369 -3.172 2.567) 5.291 2.832 ( 3.369 3.172 2.567) 5.291 2.971 ( -1.155 -1.778 0.308) 2.142 2.971 ( -1.155 1.778 0.308) 2.142 3.143 ( 4.132 -5.938 -0.993) 7.302 3.143 ( 4.132 5.938 -0.993) 7.302 3.323 ( 1.203 -2.441 1.591) 3.152 3.323 ( 1.203 2.441 1.591) 3.152 3.465 ( 1.718 -1.353 -2.266) 3.149 3.465 ( 1.718 1.353 -2.266) 3.149 3.599 ( 0.744 -0.590 -0.296) 0.994 3.599 ( 0.744 0.590 -0.296) 0.994 3.687 ( 1.394 -1.070 0.486) 1.823 3.687 ( 1.394 1.070 0.486) 1.823 3.926 ( 2.511 -1.602 -0.249) 2.989 3.926 ( 2.511 1.602 -0.249) 2.989 4.175 ( -1.944 -1.054 0.523) 2.273 4.175 ( -1.944 1.054 0.523) 2.273 4.372 ( 1.637 -0.644 0.053) 1.760 4.372 ( 1.637 0.644 0.053) 1.760 4.571 ( -2.350 -0.562 0.075) 2.417 4.571 ( -2.350 0.562 0.075) 2.417 5.210 ( -0.115 -1.940 0.171) 1.951 5.210 ( -0.115 1.940 0.171) 1.951 6.419 ( -0.637 -0.520 -0.485) 0.955 6.419 ( -0.637 0.520 -0.485) 0.955 8.661 ( -0.193 -1.434 -0.067) 1.449 8.661 ( -0.193 1.434 -0.067) 1.449 13.316 ( 1.783 -1.682 0.810) 2.581 13.316 ( 1.783 1.682 0.810) 2.581 13.445 ( -1.058 -1.602 2.747) 3.351 13.445 ( -1.058 1.602 2.747) 3.351 13.627 ( -2.457 -1.683 -0.245) 2.988 13.627 ( -2.457 1.683 -0.245) 2.988 13.727 ( -1.062 -2.081 -3.303) 4.046 13.727 ( -1.062 2.081 -3.303) 4.046 13.992 ( 0.800 -0.798 -0.177) 1.144 13.992 ( 0.800 0.798 -0.177) 1.144 ======================= Grid point 161 (88/92) ======================= q-point: ( 0.44 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 6.260 -0.982 3.042) 7.029 0.944 ( 6.260 0.982 3.042) 7.029 1.162 ( -1.649 -6.942 -1.075) 7.216 1.162 ( -1.649 6.942 -1.075) 7.216 1.320 ( 0.740 -2.881 4.395) 5.307 1.320 ( 0.740 2.881 4.395) 5.307 1.455 ( -3.036 -2.486 -1.291) 4.131 1.455 ( -3.036 2.486 -1.291) 4.131 1.777 ( 4.090 -3.221 -1.927) 5.551 1.777 ( 4.090 3.221 -1.927) 5.551 1.972 ( -4.492 -4.713 0.143) 6.512 1.972 ( -4.492 4.713 0.143) 6.512 2.076 ( -2.420 -2.769 -4.712) 5.977 2.076 ( -2.420 2.769 -4.712) 5.977 2.200 ( 2.308 -0.869 1.384) 2.828 2.200 ( 2.308 0.869 1.384) 2.828 2.423 ( -0.382 -1.554 -1.190) 1.994 2.423 ( -0.382 1.554 -1.190) 1.994 2.582 ( 0.691 -1.256 0.322) 1.469 2.582 ( 0.691 1.256 0.322) 1.469 2.763 ( 0.024 -0.387 0.104) 0.401 2.763 ( 0.024 0.387 0.104) 0.401 2.909 ( 1.685 -2.766 1.599) 3.612 2.909 ( 1.685 2.766 1.599) 3.612 2.972 ( -0.127 -0.763 2.906) 3.007 2.972 ( -0.127 0.763 2.906) 3.007 3.183 ( 2.197 -5.000 -1.068) 5.565 3.183 ( 2.197 5.000 -1.068) 5.565 3.358 ( -0.297 -3.071 3.014) 4.314 3.358 ( -0.297 3.071 3.014) 4.314 3.457 ( 1.437 -1.770 -4.052) 4.649 3.457 ( 1.437 1.770 -4.052) 4.649 3.613 ( 0.544 -0.602 0.589) 1.002 3.613 ( 0.544 0.602 0.589) 1.002 3.707 ( 0.436 -0.300 0.543) 0.759 3.707 ( 0.436 0.300 0.543) 0.759 3.946 ( 0.621 -1.093 -0.608) 1.396 3.946 ( 0.621 1.093 -0.608) 1.396 4.160 ( -0.612 -0.697 0.544) 1.075 4.160 ( -0.612 0.697 0.544) 1.075 4.391 ( 0.587 -0.443 -0.037) 0.737 4.391 ( 0.587 0.443 -0.037) 0.737 4.544 ( -1.078 -0.258 0.163) 1.121 4.544 ( -1.078 0.258 0.163) 1.121 5.209 ( -0.091 -1.319 0.017) 1.323 5.209 ( -0.091 1.319 0.017) 1.323 6.407 ( -0.246 -0.342 -0.377) 0.565 6.407 ( -0.246 0.342 -0.377) 0.565 8.659 ( 0.008 -0.919 -0.005) 0.919 8.659 ( 0.008 0.919 -0.005) 0.919 13.353 ( 1.224 -0.969 1.309) 2.037 13.353 ( 1.224 0.969 1.309) 2.037 13.468 ( -0.589 -1.735 3.758) 4.181 13.468 ( -0.589 1.735 3.758) 4.181 13.587 ( -1.658 -1.518 -0.457) 2.294 13.587 ( -1.658 1.518 -0.457) 2.294 13.672 ( -0.261 -1.777 -4.743) 5.072 13.672 ( -0.261 1.777 -4.743) 5.072 14.002 ( 0.425 -0.550 -0.002) 0.695 14.002 ( 0.425 0.550 -0.002) 0.695 ======================= Grid point 163 (89/92) ======================= q-point: (-0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -3.395 -3.884 -2.608) 5.780 1.009 ( -3.395 3.884 -2.608) 5.780 1.134 ( 2.808 -3.088 1.822) 4.554 1.134 ( 2.808 3.088 1.822) 4.554 1.345 ( -3.866 -2.040 0.623) 4.416 1.345 ( -3.866 2.040 0.623) 4.416 1.449 ( 4.993 -2.235 0.429) 5.487 1.449 ( 4.993 2.235 0.429) 5.487 1.790 ( -2.199 -0.694 -3.392) 4.102 1.790 ( -2.199 0.694 -3.392) 4.102 1.920 ( -0.188 -2.759 4.073) 4.923 1.920 ( -0.188 2.759 4.073) 4.923 2.045 ( 2.004 -2.605 -1.208) 3.502 2.045 ( 2.004 2.605 -1.208) 3.502 2.219 ( -1.844 -1.278 0.151) 2.249 2.219 ( -1.844 1.278 0.151) 2.249 2.397 ( -1.793 -1.547 0.450) 2.410 2.397 ( -1.793 1.547 0.450) 2.410 2.600 ( 1.411 -1.879 -0.617) 2.430 2.600 ( 1.411 1.879 -0.617) 2.430 2.755 ( -0.604 -1.840 0.160) 1.943 2.755 ( -0.604 1.840 0.160) 1.943 2.919 ( -0.635 -1.448 0.319) 1.613 2.919 ( -0.635 1.448 0.319) 1.613 3.003 ( 0.089 -2.236 0.887) 2.407 3.003 ( 0.089 2.236 0.887) 2.407 3.184 ( -0.881 -2.188 -1.179) 2.637 3.184 ( -0.881 2.188 -1.179) 2.637 3.378 ( -1.490 -2.878 3.724) 4.937 3.378 ( -1.490 2.878 3.724) 4.937 3.426 ( 0.197 -1.888 -4.065) 4.486 3.426 ( 0.197 1.888 -4.065) 4.486 3.621 ( -0.123 -0.337 0.053) 0.363 3.621 ( -0.123 0.337 0.053) 0.363 3.708 ( -1.191 -0.486 0.473) 1.370 3.708 ( -1.191 0.486 0.473) 1.370 3.939 ( -0.880 -0.205 -0.010) 0.904 3.939 ( -0.880 0.205 -0.010) 0.904 4.166 ( 1.022 -0.234 -0.045) 1.049 4.166 ( 1.022 0.234 -0.045) 1.049 4.391 ( -0.492 -0.235 -0.050) 0.547 4.391 ( -0.492 0.235 -0.050) 0.547 4.543 ( 0.563 -0.383 0.311) 0.748 4.543 ( 0.563 0.383 0.311) 0.748 5.209 ( 0.093 -0.157 0.021) 0.184 5.209 ( 0.093 0.157 0.021) 0.184 6.404 ( 0.262 -0.106 -0.141) 0.315 6.404 ( 0.262 0.106 -0.141) 0.315 8.660 ( 0.084 -0.034 -0.056) 0.107 8.660 ( 0.084 0.034 -0.056) 0.107 13.367 ( -0.822 -0.125 0.142) 0.843 13.367 ( -0.822 0.125 0.142) 0.843 13.495 ( -0.140 -1.265 1.757) 2.170 13.495 ( -0.140 1.265 1.757) 2.170 13.587 ( 0.741 -2.061 2.486) 3.313 13.587 ( 0.741 2.061 2.486) 3.313 13.629 ( 1.424 -1.774 -4.379) 4.935 13.629 ( 1.424 1.774 -4.379) 4.935 14.002 ( -0.475 -0.078 0.014) 0.482 14.002 ( -0.475 0.078 0.014) 0.482 ======================= Grid point 165 (90/92) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -6.581 -2.150 -4.011) 8.001 0.871 ( -6.581 2.150 -4.011) 8.001 1.196 ( 1.451 -4.226 -1.680) 4.773 1.196 ( 1.451 4.226 -1.680) 4.773 1.287 ( -2.443 -4.618 1.361) 5.398 1.287 ( -2.443 4.618 1.361) 5.398 1.548 ( 6.376 -3.738 -0.976) 7.456 1.548 ( 6.376 3.738 -0.976) 7.456 1.707 ( -3.435 -2.018 -0.553) 4.022 1.707 ( -3.435 2.018 -0.553) 4.022 1.982 ( -1.107 -3.430 6.663) 7.575 1.982 ( -1.107 3.430 6.663) 7.575 2.079 ( -0.436 -3.804 -1.317) 4.049 2.079 ( -0.436 3.804 -1.317) 4.049 2.180 ( 0.989 -2.702 0.508) 2.922 2.180 ( 0.989 2.702 0.508) 2.922 2.389 ( -1.200 -2.298 2.531) 3.623 2.389 ( -1.200 2.298 2.531) 3.623 2.609 ( 1.784 -3.631 -2.322) 4.665 2.609 ( 1.784 3.631 -2.322) 4.665 2.746 ( -1.516 -2.625 0.924) 3.168 2.746 ( -1.516 2.625 0.924) 3.168 2.899 ( -1.653 -2.964 -2.169) 4.028 2.899 ( -1.653 2.964 -2.169) 4.028 2.987 ( -0.902 -2.190 -1.263) 2.684 2.987 ( -0.902 2.190 -1.263) 2.684 3.135 ( -3.430 -2.894 -0.622) 4.531 3.135 ( -3.430 2.894 -0.622) 4.531 3.356 ( -3.497 -1.197 -0.506) 3.730 3.356 ( -3.497 1.197 -0.506) 3.730 3.418 ( 0.783 -2.420 1.277) 2.846 3.418 ( 0.783 2.420 1.277) 2.846 3.606 ( -1.120 -0.530 -0.866) 1.512 3.606 ( -1.120 0.530 -0.866) 1.512 3.684 ( -2.223 -1.242 0.643) 2.626 3.684 ( -2.223 1.242 0.643) 2.626 3.918 ( -2.112 -1.404 0.446) 2.575 3.918 ( -2.112 1.404 0.446) 2.575 4.188 ( 2.037 -0.900 -0.626) 2.313 4.188 ( 2.037 0.900 -0.626) 2.313 4.374 ( -1.456 -0.584 -0.102) 1.572 4.374 ( -1.456 0.584 -0.102) 1.572 4.567 ( 1.853 -0.851 0.480) 2.095 4.567 ( 1.853 0.851 0.480) 2.095 5.212 ( 0.307 -1.129 -0.040) 1.170 5.212 ( 0.307 1.129 -0.040) 1.170 6.412 ( 0.613 -0.300 0.164) 0.703 6.412 ( 0.613 0.300 0.164) 0.703 8.661 ( 0.207 -0.901 -0.090) 0.929 8.661 ( 0.207 0.901 -0.090) 0.929 13.334 ( -2.293 -1.180 -0.869) 2.721 13.334 ( -2.293 1.180 -0.869) 2.721 13.492 ( -0.666 -0.848 -1.013) 1.480 13.492 ( -0.666 0.848 -1.013) 1.480 13.632 ( 3.145 -2.308 -0.987) 4.024 13.632 ( 3.145 2.308 -0.987) 4.024 13.656 ( 2.723 -2.582 3.014) 4.813 13.656 ( 2.723 2.582 3.014) 4.813 13.990 ( -1.064 -0.383 0.075) 1.134 13.990 ( -1.064 0.383 0.075) 1.134 ======================= Grid point 167 (91/92) ======================= q-point: (-0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -3.386 -3.306 0.938) 4.825 0.767 ( -3.386 3.306 0.938) 4.825 1.162 ( -0.007 -1.964 -3.898) 4.365 1.162 ( -0.007 1.964 -3.898) 4.365 1.270 ( -3.120 -5.316 0.829) 6.220 1.270 ( -3.120 5.316 0.829) 6.220 1.568 ( -0.465 -2.355 -5.057) 5.598 1.568 ( -0.465 2.355 -5.057) 5.598 1.725 ( 3.202 -2.791 4.047) 5.866 1.725 ( 3.202 2.791 4.047) 5.866 2.009 ( -4.404 -3.979 5.192) 7.886 2.009 ( -4.404 3.979 5.192) 7.886 2.043 ( 1.011 -2.429 1.740) 3.154 2.043 ( 1.011 2.429 1.740) 3.154 2.235 ( 1.160 -3.924 1.322) 4.300 2.235 ( 1.160 3.924 1.322) 4.300 2.407 ( 0.932 -3.298 0.394) 3.450 2.407 ( 0.932 3.298 0.394) 3.450 2.602 ( 0.949 -2.591 -3.598) 4.535 2.602 ( 0.949 2.591 -3.598) 4.535 2.723 ( -2.072 -2.246 -1.300) 3.321 2.723 ( -2.072 2.246 -1.300) 3.321 2.817 ( -2.081 -3.224 -3.522) 5.208 2.817 ( -2.081 3.224 -3.522) 5.208 2.968 ( -2.142 -1.084 0.347) 2.426 2.968 ( -2.142 1.084 0.347) 2.426 3.075 ( -3.078 -5.300 0.228) 6.133 3.075 ( -3.078 5.300 0.228) 6.133 3.298 ( -2.711 -1.358 -0.177) 3.038 3.298 ( -2.711 1.358 -0.177) 3.038 3.438 ( -0.066 -2.089 0.753) 2.222 3.438 ( -0.066 2.089 0.753) 2.222 3.583 ( -0.905 -1.198 0.280) 1.527 3.583 ( -0.905 1.198 0.280) 1.527 3.656 ( -2.126 -1.737 0.657) 2.823 3.656 ( -2.126 1.737 0.657) 2.823 3.879 ( -3.043 -1.554 -0.027) 3.417 3.879 ( -3.043 1.554 -0.027) 3.417 4.214 ( 1.937 -1.557 -0.676) 2.575 4.214 ( 1.937 1.557 -0.676) 2.575 4.346 ( -1.671 -0.938 -0.285) 1.937 4.346 ( -1.671 0.938 -0.285) 1.937 4.605 ( 2.042 -1.036 0.599) 2.367 4.605 ( 2.042 1.036 0.599) 2.367 5.216 ( 0.339 -1.663 -0.342) 1.731 5.216 ( 0.339 1.663 -0.342) 1.731 6.426 ( 0.668 -0.394 0.444) 0.894 6.426 ( 0.668 0.394 0.444) 0.894 8.665 ( 0.418 -1.490 -0.018) 1.547 8.665 ( 0.418 1.490 -0.018) 1.547 13.289 ( -2.248 -1.682 -0.528) 2.857 13.289 ( -2.248 1.682 -0.528) 2.857 13.465 ( -0.901 -1.065 -1.160) 1.815 13.465 ( -0.901 1.065 -1.160) 1.815 13.679 ( 3.496 -2.578 -0.735) 4.405 13.679 ( 3.496 2.578 -0.735) 4.405 13.729 ( 2.382 -3.040 2.321) 4.506 13.729 ( 2.382 3.040 2.321) 4.506 13.976 ( -0.802 -0.592 0.488) 1.110 13.976 ( -0.802 0.592 0.488) 1.110 ======================= Grid point 169 (92/92) ======================= q-point: (-0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.388 -5.412 6.203) 8.241 0.788 ( 0.388 5.412 6.203) 8.241 1.132 ( 1.629 -3.600 -4.549) 6.025 1.132 ( 1.629 3.600 -4.549) 6.025 1.199 ( -5.627 -2.545 0.315) 6.184 1.199 ( -5.627 2.545 0.315) 6.184 1.506 ( 0.598 -1.066 -4.072) 4.251 1.506 ( 0.598 1.066 -4.072) 4.251 1.803 ( -0.237 -3.548 3.785) 5.194 1.803 ( -0.237 3.548 3.785) 5.194 2.050 ( 4.013 -1.616 2.464) 4.979 2.050 ( 4.013 1.616 2.464) 4.979 2.081 ( -2.113 -3.768 5.770) 7.208 2.081 ( -2.113 3.768 5.770) 7.208 2.235 ( -0.931 -4.096 -0.080) 4.202 2.235 ( -0.931 4.096 -0.080) 4.202 2.401 ( -0.503 -3.849 -2.089) 4.408 2.401 ( -0.503 3.849 -2.089) 4.408 2.566 ( 0.771 -1.080 -5.563) 5.719 2.566 ( 0.771 1.080 -5.563) 5.719 2.644 ( -1.535 -2.119 -4.257) 4.997 2.644 ( -1.535 2.119 -4.257) 4.997 2.794 ( -1.941 -2.494 -0.120) 3.163 2.794 ( -1.941 2.494 -0.120) 3.163 2.904 ( -3.452 -2.257 -0.702) 4.184 2.904 ( -3.452 2.257 -0.702) 4.184 3.070 ( 0.395 -2.971 1.896) 3.547 3.070 ( 0.395 2.971 1.896) 3.547 3.276 ( -0.849 -0.825 1.560) 1.959 3.276 ( -0.849 0.825 1.560) 1.959 3.436 ( -0.242 -1.545 -0.221) 1.579 3.436 ( -0.242 1.545 -0.221) 1.579 3.582 ( -0.342 -2.280 0.947) 2.492 3.582 ( -0.342 2.280 0.947) 2.492 3.633 ( -1.361 -1.456 0.452) 2.043 3.633 ( -1.361 1.456 0.452) 2.043 3.830 ( -2.416 -1.069 -0.447) 2.679 3.830 ( -2.416 1.069 -0.447) 2.679 4.234 ( 1.212 -1.946 -0.139) 2.297 4.234 ( 1.212 1.946 -0.139) 2.297 4.318 ( -1.134 -1.287 -0.678) 1.844 4.318 ( -1.134 1.287 -0.678) 1.844 4.639 ( 1.178 -0.912 0.624) 1.615 4.639 ( 1.178 0.912 0.624) 1.615 5.215 ( 0.179 -1.335 -0.559) 1.459 5.215 ( 0.179 1.335 -0.559) 1.459 6.440 ( 0.439 -0.286 0.528) 0.743 6.440 ( 0.439 0.286 0.528) 0.743 8.672 ( 0.409 -1.396 0.021) 1.455 8.672 ( 0.409 1.396 0.021) 1.455 13.257 ( -1.353 -1.317 -0.020) 1.889 13.257 ( -1.353 1.317 -0.020) 1.889 13.444 ( -0.633 -0.870 -0.348) 1.131 13.444 ( -0.633 0.870 -0.348) 1.131 13.717 ( 2.264 -1.818 -1.076) 3.096 13.717 ( 2.264 1.818 -1.076) 3.096 13.773 ( 0.900 -2.250 0.967) 2.609 13.773 ( 0.900 2.250 0.967) 2.609 13.977 ( -0.057 -0.426 0.913) 1.009 13.977 ( -0.057 0.426 0.913) 1.009 =================== 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 3/16200 10.0 56.524 44.674 94.618 0.000 -9.917 0.000 3/16200 20.0 14.390 11.020 24.229 0.000 -2.277 0.000 3/16200 30.0 6.937 5.281 11.351 0.000 -1.074 0.000 3/16200 40.0 4.442 3.365 7.090 0.000 -0.679 0.000 3/16200 50.0 3.268 2.466 5.121 0.000 -0.495 0.000 3/16200 60.0 2.595 1.952 4.013 0.000 -0.389 0.000 3/16200 70.0 2.160 1.621 3.309 0.000 -0.321 0.000 3/16200 80.0 1.856 1.390 2.823 0.000 -0.274 0.000 3/16200 90.0 1.632 1.219 2.469 0.000 -0.239 0.000 3/16200 100.0 1.459 1.088 2.199 0.000 -0.212 0.000 3/16200 110.0 1.323 0.985 1.988 0.000 -0.190 0.000 3/16200 120.0 1.213 0.901 1.819 0.000 -0.173 0.000 3/16200 130.0 1.122 0.832 1.680 0.000 -0.158 0.000 3/16200 140.0 1.045 0.774 1.563 0.000 -0.146 0.000 3/16200 150.0 0.980 0.724 1.465 0.000 -0.135 0.000 3/16200 160.0 0.924 0.681 1.380 0.000 -0.126 0.000 3/16200 170.0 0.875 0.644 1.306 0.000 -0.118 0.000 3/16200 180.0 0.832 0.611 1.241 0.000 -0.111 0.000 3/16200 190.0 0.793 0.582 1.184 0.000 -0.105 0.000 3/16200 200.0 0.759 0.556 1.132 0.000 -0.099 0.000 3/16200 210.0 0.727 0.532 1.086 0.000 -0.094 0.000 3/16200 220.0 0.699 0.511 1.044 0.000 -0.089 0.000 3/16200 230.0 0.673 0.491 1.005 0.000 -0.085 0.000 3/16200 240.0 0.650 0.473 0.970 0.000 -0.082 0.000 3/16200 250.0 0.628 0.457 0.937 0.000 -0.078 0.000 3/16200 260.0 0.607 0.441 0.907 0.000 -0.075 0.000 3/16200 270.0 0.588 0.427 0.879 0.000 -0.072 0.000 3/16200 280.0 0.571 0.414 0.852 0.000 -0.069 0.000 3/16200 290.0 0.554 0.402 0.828 0.000 -0.067 0.000 3/16200 300.0 0.539 0.390 0.805 0.000 -0.065 0.000 3/16200 310.0 0.524 0.379 0.783 0.000 -0.062 0.000 3/16200 320.0 0.511 0.369 0.763 0.000 -0.060 0.000 3/16200 330.0 0.498 0.360 0.743 0.000 -0.058 0.000 3/16200 340.0 0.485 0.350 0.725 0.000 -0.057 0.000 3/16200 350.0 0.474 0.342 0.708 0.000 -0.055 0.000 3/16200 360.0 0.463 0.334 0.691 0.000 -0.053 0.000 3/16200 370.0 0.452 0.326 0.676 0.000 -0.052 0.000 3/16200 380.0 0.442 0.319 0.661 0.000 -0.051 0.000 3/16200 390.0 0.433 0.312 0.647 0.000 -0.049 0.000 3/16200 400.0 0.424 0.305 0.633 0.000 -0.048 0.000 3/16200 410.0 0.415 0.298 0.620 0.000 -0.047 0.000 3/16200 420.0 0.407 0.292 0.608 0.000 -0.046 0.000 3/16200 430.0 0.399 0.287 0.596 0.000 -0.045 0.000 3/16200 440.0 0.391 0.281 0.584 0.000 -0.044 0.000 3/16200 450.0 0.384 0.276 0.573 0.000 -0.043 0.000 3/16200 460.0 0.377 0.270 0.563 0.000 -0.042 0.000 3/16200 470.0 0.370 0.265 0.553 0.000 -0.041 0.000 3/16200 480.0 0.363 0.261 0.543 0.000 -0.040 0.000 3/16200 490.0 0.357 0.256 0.533 0.000 -0.039 0.000 3/16200 500.0 0.351 0.252 0.524 0.000 -0.038 0.000 3/16200 510.0 0.345 0.247 0.516 0.000 -0.038 0.000 3/16200 520.0 0.339 0.243 0.507 0.000 -0.037 0.000 3/16200 530.0 0.334 0.239 0.499 0.000 -0.036 0.000 3/16200 540.0 0.329 0.235 0.491 0.000 -0.036 0.000 3/16200 550.0 0.324 0.232 0.483 0.000 -0.035 0.000 3/16200 560.0 0.319 0.228 0.476 0.000 -0.034 0.000 3/16200 570.0 0.314 0.225 0.469 0.000 -0.034 0.000 3/16200 580.0 0.309 0.221 0.462 0.000 -0.033 0.000 3/16200 590.0 0.305 0.218 0.455 0.000 -0.033 0.000 3/16200 600.0 0.300 0.215 0.449 0.000 -0.032 0.000 3/16200 610.0 0.296 0.212 0.442 0.000 -0.031 0.000 3/16200 620.0 0.292 0.209 0.436 0.000 -0.031 0.000 3/16200 630.0 0.288 0.206 0.430 0.000 -0.031 0.000 3/16200 640.0 0.284 0.203 0.424 0.000 -0.030 0.000 3/16200 650.0 0.280 0.200 0.419 0.000 -0.030 0.000 3/16200 660.0 0.277 0.198 0.413 0.000 -0.029 0.000 3/16200 670.0 0.273 0.195 0.408 0.000 -0.029 0.000 3/16200 680.0 0.269 0.193 0.402 0.000 -0.028 0.000 3/16200 690.0 0.266 0.190 0.397 0.000 -0.028 0.000 3/16200 700.0 0.263 0.188 0.392 0.000 -0.027 0.000 3/16200 710.0 0.260 0.185 0.388 0.000 -0.027 0.000 3/16200 720.0 0.256 0.183 0.383 0.000 -0.027 0.000 3/16200 730.0 0.253 0.181 0.378 0.000 -0.026 0.000 3/16200 740.0 0.250 0.179 0.374 0.000 -0.026 0.000 3/16200 750.0 0.247 0.177 0.369 0.000 -0.026 0.000 3/16200 760.0 0.245 0.175 0.365 0.000 -0.025 0.000 3/16200 770.0 0.242 0.173 0.361 0.000 -0.025 0.000 3/16200 780.0 0.239 0.171 0.357 0.000 -0.025 0.000 3/16200 790.0 0.236 0.169 0.353 0.000 -0.024 0.000 3/16200 800.0 0.234 0.167 0.349 0.000 -0.024 0.000 3/16200 810.0 0.231 0.165 0.345 0.000 -0.024 0.000 3/16200 820.0 0.229 0.163 0.342 0.000 -0.024 0.000 3/16200 830.0 0.226 0.162 0.338 0.000 -0.023 0.000 3/16200 840.0 0.224 0.160 0.334 0.000 -0.023 0.000 3/16200 850.0 0.222 0.158 0.331 0.000 -0.023 0.000 3/16200 860.0 0.219 0.157 0.328 0.000 -0.022 0.000 3/16200 870.0 0.217 0.155 0.324 0.000 -0.022 0.000 3/16200 880.0 0.215 0.153 0.321 0.000 -0.022 0.000 3/16200 890.0 0.213 0.152 0.318 0.000 -0.022 0.000 3/16200 900.0 0.211 0.150 0.315 0.000 -0.021 0.000 3/16200 910.0 0.209 0.149 0.312 0.000 -0.021 0.000 3/16200 920.0 0.207 0.148 0.309 0.000 -0.021 0.000 3/16200 930.0 0.205 0.146 0.306 0.000 -0.021 0.000 3/16200 940.0 0.203 0.145 0.303 0.000 -0.021 0.000 3/16200 950.0 0.201 0.143 0.300 0.000 -0.020 0.000 3/16200 960.0 0.199 0.142 0.297 0.000 -0.020 0.000 3/16200 970.0 0.197 0.141 0.294 0.000 -0.020 0.000 3/16200 980.0 0.195 0.139 0.292 0.000 -0.020 0.000 3/16200 990.0 0.194 0.138 0.289 0.000 -0.020 0.000 3/16200 1000.0 0.192 0.137 0.287 0.000 -0.019 0.000 3/16200 Thermal conductivity related properties were written into "kappa-m965.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:52:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|