----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:09:48]------------------------- 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: [1 3 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.767373295621483 -2.091184080000001 0.000000000000000 b 6.767373295621483 2.091184080000001 0.000000000000000 c -0.231957903264225 0.000000000000000 10.027152627305421 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 *2 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 *3 Bi 0.28052691885129 0.28052691885129 0.69004221639540 208.980 4 Bi 0.71947308114871 0.71947308114871 0.30995778360460 208.980 *5 Se 0.35700807602937 0.35700807602937 0.44027522564340 78.960 6 Se 0.64299192397063 0.64299192397063 0.55972477435660 78.960 *7 Se 0.91965583063410 0.91965583063410 0.74236887791232 78.960 8 Se 0.08034416936590 0.08034416936590 0.25763112208768 78.960 *9 I 0.64152480519941 0.64152480519941 0.92515361708699 126.904 10 I 0.35847519480059 0.35847519480059 0.07484638291301 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.534746591242966 0.000000000000000 0.000000000000000 b 0.000000000000000 4.182368160000001 0.000000000000000 c -0.231957903264225 0.000000000000000 10.027152627305421 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 1 *2 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 2 3 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 1 4 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 2 *5 Bi 0.28052691885129 0.00000000000000 0.69004221639540 208.980 > 3 6 Bi 0.21947308114871 0.50000000000000 0.30995778360460 208.980 > 4 7 Bi 0.78052691885129 0.50000000000000 0.69004221639540 208.980 > 3 8 Bi 0.71947308114871 0.00000000000000 0.30995778360460 208.980 > 4 *9 Se 0.35700807602937 0.00000000000000 0.44027522564340 78.960 > 5 10 Se 0.14299192397063 0.50000000000000 0.55972477435660 78.960 > 6 *11 Se 0.41965583063410 0.50000000000000 0.74236887791232 78.960 > 7 12 Se 0.08034416936590 0.00000000000000 0.25763112208768 78.960 > 8 13 Se 0.85700807602937 0.50000000000000 0.44027522564340 78.960 > 5 14 Se 0.64299192397063 0.00000000000000 0.55972477435660 78.960 > 6 15 Se 0.91965583063410 0.00000000000000 0.74236887791232 78.960 > 7 16 Se 0.58034416936590 0.50000000000000 0.25763112208768 78.960 > 8 *17 I 0.14152480519941 0.50000000000000 0.92515361708699 126.904 > 9 18 I 0.35847519480059 0.00000000000000 0.07484638291301 126.904 > 10 19 I 0.64152480519941 0.00000000000000 0.92515361708699 126.904 > 9 20 I 0.85847519480059 0.50000000000000 0.07484638291301 126.904 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.534746591242966 0.000000000000000 0.000000000000000 b 0.000000000000000 12.547104480000003 0.000000000000000 c -0.463915806528450 0.000000000000000 20.054305254610842 Atomic positions (fractional): *1 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 1 2 Cd 0.00000000000000 0.33333333333333 0.25000000000000 112.411 > 1 3 Cd 0.00000000000000 0.66666666666667 0.25000000000000 112.411 > 1 4 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 1 5 Cd 0.00000000000000 0.33333333333333 0.75000000000000 112.411 > 1 6 Cd 0.00000000000000 0.66666666666667 0.75000000000000 112.411 > 1 *7 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 2 8 Cd 0.00000000000000 0.33333333333333 0.00000000000000 112.411 > 2 9 Cd 0.00000000000000 0.66666666666667 0.00000000000000 112.411 > 2 10 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 2 11 Cd 0.00000000000000 0.33333333333333 0.50000000000000 112.411 > 2 12 Cd 0.00000000000000 0.66666666666667 0.50000000000000 112.411 > 2 13 Cd 0.50000000000000 0.16666666666667 0.25000000000000 112.411 > 1 14 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 1 15 Cd 0.50000000000000 0.83333333333333 0.25000000000000 112.411 > 1 16 Cd 0.50000000000000 0.16666666666667 0.75000000000000 112.411 > 1 17 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 1 18 Cd 0.50000000000000 0.83333333333333 0.75000000000000 112.411 > 1 19 Cd 0.50000000000000 0.16666666666667 0.00000000000000 112.411 > 2 20 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 2 21 Cd 0.50000000000000 0.83333333333333 0.00000000000000 112.411 > 2 22 Cd 0.50000000000000 0.16666666666667 0.50000000000000 112.411 > 2 23 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 2 24 Cd 0.50000000000000 0.83333333333333 0.50000000000000 112.411 > 2 *25 Bi 0.28052691885129 0.00000000000000 0.34502110819770 208.980 > 3 26 Bi 0.28052691885129 0.33333333333333 0.34502110819770 208.980 > 3 27 Bi 0.28052691885129 0.66666666666667 0.34502110819770 208.980 > 3 28 Bi 0.28052691885129 0.00000000000000 0.84502110819770 208.980 > 3 29 Bi 0.28052691885129 0.33333333333333 0.84502110819770 208.980 > 3 30 Bi 0.28052691885129 0.66666666666667 0.84502110819770 208.980 > 3 31 Bi 0.21947308114871 0.16666666666667 0.15497889180230 208.980 > 4 32 Bi 0.21947308114871 0.50000000000000 0.15497889180230 208.980 > 4 33 Bi 0.21947308114871 0.83333333333333 0.15497889180230 208.980 > 4 34 Bi 0.21947308114871 0.16666666666667 0.65497889180230 208.980 > 4 35 Bi 0.21947308114871 0.50000000000000 0.65497889180230 208.980 > 4 36 Bi 0.21947308114871 0.83333333333333 0.65497889180230 208.980 > 4 37 Bi 0.78052691885129 0.16666666666667 0.34502110819770 208.980 > 3 38 Bi 0.78052691885129 0.50000000000000 0.34502110819770 208.980 > 3 39 Bi 0.78052691885129 0.83333333333333 0.34502110819770 208.980 > 3 40 Bi 0.78052691885129 0.16666666666667 0.84502110819770 208.980 > 3 41 Bi 0.78052691885129 0.50000000000000 0.84502110819770 208.980 > 3 42 Bi 0.78052691885129 0.83333333333333 0.84502110819770 208.980 > 3 43 Bi 0.71947308114871 0.00000000000000 0.15497889180230 208.980 > 4 44 Bi 0.71947308114871 0.33333333333333 0.15497889180230 208.980 > 4 45 Bi 0.71947308114871 0.66666666666667 0.15497889180230 208.980 > 4 46 Bi 0.71947308114871 0.00000000000000 0.65497889180230 208.980 > 4 47 Bi 0.71947308114871 0.33333333333333 0.65497889180230 208.980 > 4 48 Bi 0.71947308114871 0.66666666666667 0.65497889180230 208.980 > 4 *49 Se 0.35700807602937 0.00000000000000 0.22013761282170 78.960 > 5 50 Se 0.35700807602937 0.33333333333333 0.22013761282170 78.960 > 5 51 Se 0.35700807602937 0.66666666666667 0.22013761282170 78.960 > 5 52 Se 0.35700807602937 0.00000000000000 0.72013761282170 78.960 > 5 53 Se 0.35700807602937 0.33333333333333 0.72013761282170 78.960 > 5 54 Se 0.35700807602937 0.66666666666667 0.72013761282170 78.960 > 5 55 Se 0.14299192397063 0.16666666666667 0.27986238717830 78.960 > 6 56 Se 0.14299192397063 0.50000000000000 0.27986238717830 78.960 > 6 57 Se 0.14299192397063 0.83333333333333 0.27986238717830 78.960 > 6 58 Se 0.14299192397063 0.16666666666667 0.77986238717830 78.960 > 6 59 Se 0.14299192397063 0.50000000000000 0.77986238717830 78.960 > 6 60 Se 0.14299192397063 0.83333333333333 0.77986238717830 78.960 > 6 *61 Se 0.41965583063410 0.16666666666667 0.37118443895616 78.960 > 7 62 Se 0.41965583063410 0.50000000000000 0.37118443895616 78.960 > 7 63 Se 0.41965583063410 0.83333333333333 0.37118443895616 78.960 > 7 64 Se 0.41965583063410 0.16666666666667 0.87118443895616 78.960 > 7 65 Se 0.41965583063410 0.50000000000000 0.87118443895616 78.960 > 7 66 Se 0.41965583063410 0.83333333333333 0.87118443895616 78.960 > 7 67 Se 0.08034416936590 0.00000000000000 0.12881556104384 78.960 > 8 68 Se 0.08034416936590 0.33333333333333 0.12881556104384 78.960 > 8 69 Se 0.08034416936590 0.66666666666667 0.12881556104384 78.960 > 8 70 Se 0.08034416936590 0.00000000000000 0.62881556104384 78.960 > 8 71 Se 0.08034416936590 0.33333333333333 0.62881556104384 78.960 > 8 72 Se 0.08034416936590 0.66666666666667 0.62881556104384 78.960 > 8 73 Se 0.85700807602937 0.16666666666667 0.22013761282170 78.960 > 5 74 Se 0.85700807602937 0.50000000000000 0.22013761282170 78.960 > 5 75 Se 0.85700807602937 0.83333333333333 0.22013761282170 78.960 > 5 76 Se 0.85700807602937 0.16666666666667 0.72013761282170 78.960 > 5 77 Se 0.85700807602937 0.50000000000000 0.72013761282170 78.960 > 5 78 Se 0.85700807602937 0.83333333333333 0.72013761282170 78.960 > 5 79 Se 0.64299192397063 0.00000000000000 0.27986238717830 78.960 > 6 80 Se 0.64299192397063 0.33333333333333 0.27986238717830 78.960 > 6 81 Se 0.64299192397063 0.66666666666667 0.27986238717830 78.960 > 6 82 Se 0.64299192397063 0.00000000000000 0.77986238717830 78.960 > 6 83 Se 0.64299192397063 0.33333333333333 0.77986238717830 78.960 > 6 84 Se 0.64299192397063 0.66666666666667 0.77986238717830 78.960 > 6 85 Se 0.91965583063410 0.00000000000000 0.37118443895616 78.960 > 7 86 Se 0.91965583063410 0.33333333333333 0.37118443895616 78.960 > 7 87 Se 0.91965583063410 0.66666666666667 0.37118443895616 78.960 > 7 88 Se 0.91965583063410 0.00000000000000 0.87118443895616 78.960 > 7 89 Se 0.91965583063410 0.33333333333333 0.87118443895616 78.960 > 7 90 Se 0.91965583063410 0.66666666666667 0.87118443895616 78.960 > 7 91 Se 0.58034416936590 0.16666666666667 0.12881556104384 78.960 > 8 92 Se 0.58034416936590 0.50000000000000 0.12881556104384 78.960 > 8 93 Se 0.58034416936590 0.83333333333333 0.12881556104384 78.960 > 8 94 Se 0.58034416936590 0.16666666666667 0.62881556104384 78.960 > 8 95 Se 0.58034416936590 0.50000000000000 0.62881556104384 78.960 > 8 96 Se 0.58034416936590 0.83333333333333 0.62881556104384 78.960 > 8 *97 I 0.14152480519941 0.16666666666667 0.46257680854349 126.904 > 9 98 I 0.14152480519941 0.50000000000000 0.46257680854349 126.904 > 9 99 I 0.14152480519941 0.83333333333333 0.46257680854349 126.904 > 9 100 I 0.14152480519941 0.16666666666667 0.96257680854349 126.904 > 9 101 I 0.14152480519941 0.50000000000000 0.96257680854349 126.904 > 9 102 I 0.14152480519941 0.83333333333333 0.96257680854349 126.904 > 9 103 I 0.35847519480059 0.00000000000000 0.03742319145651 126.904 > 10 104 I 0.35847519480059 0.33333333333333 0.03742319145651 126.904 > 10 105 I 0.35847519480059 0.66666666666667 0.03742319145651 126.904 > 10 106 I 0.35847519480059 0.00000000000000 0.53742319145650 126.904 > 10 107 I 0.35847519480059 0.33333333333333 0.53742319145650 126.904 > 10 108 I 0.35847519480059 0.66666666666667 0.53742319145650 126.904 > 10 109 I 0.64152480519941 0.00000000000000 0.46257680854349 126.904 > 9 110 I 0.64152480519941 0.33333333333333 0.46257680854349 126.904 > 9 111 I 0.64152480519941 0.66666666666667 0.46257680854349 126.904 > 9 112 I 0.64152480519941 0.00000000000000 0.96257680854349 126.904 > 9 113 I 0.64152480519941 0.33333333333333 0.96257680854349 126.904 > 9 114 I 0.64152480519941 0.66666666666667 0.96257680854349 126.904 > 9 115 I 0.85847519480059 0.16666666666667 0.03742319145651 126.904 > 10 116 I 0.85847519480059 0.50000000000000 0.03742319145651 126.904 > 10 117 I 0.85847519480059 0.83333333333333 0.03742319145651 126.904 > 10 118 I 0.85847519480059 0.16666666666667 0.53742319145650 126.904 > 10 119 I 0.85847519480059 0.50000000000000 0.53742319145650 126.904 > 10 120 I 0.85847519480059 0.83333333333333 0.53742319145650 126.904 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9748537 0.0000000 0.7578597 0.0000000 14.7792556 0.0000000 0.7578549 0.0000000 11.8888205 -------------------------- Born effective charges -------------------------- 1 Cd 4.4506312 0.0000000 -0.7290977 0.0000000 3.6228976 0.0000000 -0.5119878 0.0000000 1.7785357 2 Cd 3.1877277 0.0000000 1.0211441 0.0000000 2.9843649 0.0000000 0.0028698 0.0000000 3.9987093 3 Bi 3.1851292 0.0000000 0.3390753 0.0000000 6.8540441 0.0000000 0.4795979 0.0000000 3.5874227 4 Bi 3.1851292 0.0000000 0.3390753 0.0000000 6.8540441 0.0000000 0.4795979 0.0000000 3.5874227 5 Se -2.8463947 0.0000000 -0.4958281 0.0000000 -4.0070467 0.0000000 -0.2306893 0.0000000 -1.9907669 6 Se -2.8463947 0.0000000 -0.4958281 0.0000000 -4.0070467 0.0000000 -0.2306893 0.0000000 -1.9907669 7 Se -2.2875565 0.0000000 -0.4113631 0.0000000 -4.0382495 0.0000000 -0.5837953 0.0000000 -1.9800684 8 Se -2.2875565 0.0000000 -0.4113631 0.0000000 -4.0382495 0.0000000 -0.5837953 0.0000000 -1.9800684 9 I -1.8703575 0.0000000 0.4220928 0.0000000 -2.1123790 0.0000000 0.5894457 0.0000000 -2.5052098 10 I -1.8703575 0.0000000 0.4220928 0.0000000 -2.1123790 0.0000000 0.5894457 0.0000000 -2.5052098 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1532 Number of blocks in projector: 1532 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1532, 1503), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (244, 238), data: True |-- (244, 238), data: True |-- (244, 238), data: True |-- (408, 397), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.235 Solver_block: 200 / 320 - Time: 2.254 Solver_block: 300 / 320 - Time: 2.257 Solver_block: 320 / 320 - Time: 0.545 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.325 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1532 Number of blocks in projector: 1532 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1532, 1503), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (244, 238), data: True |-- (244, 238), data: True |-- (244, 238), data: True |-- (408, 397), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:10:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:10:11]------------------------- 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): [1 3 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.767373295621483 -2.091184080000001 0.000000000000000 b 6.767373295621483 2.091184080000001 0.000000000000000 c -0.231957903264225 0.000000000000000 10.027152627305421 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 2 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 3 Bi 0.28052691885129 0.28052691885129 0.69004221639540 208.980 4 Bi 0.71947308114871 0.71947308114871 0.30995778360460 208.980 5 Se 0.35700807602937 0.35700807602937 0.44027522564340 78.960 6 Se 0.64299192397063 0.64299192397063 0.55972477435660 78.960 7 Se 0.91965583063410 0.91965583063410 0.74236887791232 78.960 8 Se 0.08034416936590 0.08034416936590 0.25763112208768 78.960 9 I 0.64152480519941 0.64152480519941 0.92515361708699 126.904 10 I 0.35847519480059 0.35847519480059 0.07484638291301 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.534746591242966 0.000000000000000 0.000000000000000 b 0.000000000000000 12.547104480000003 0.000000000000000 c -0.463915806528450 0.000000000000000 20.054305254610842 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 1 2 Cd 0.00000000000000 0.33333333333333 0.25000000000000 112.411 > 1 3 Cd 0.00000000000000 0.66666666666667 0.25000000000000 112.411 > 1 4 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 1 5 Cd 0.00000000000000 0.33333333333333 0.75000000000000 112.411 > 1 6 Cd 0.00000000000000 0.66666666666667 0.75000000000000 112.411 > 1 7 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 7 8 Cd 0.00000000000000 0.33333333333333 0.00000000000000 112.411 > 7 9 Cd 0.00000000000000 0.66666666666667 0.00000000000000 112.411 > 7 10 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 7 11 Cd 0.00000000000000 0.33333333333333 0.50000000000000 112.411 > 7 12 Cd 0.00000000000000 0.66666666666667 0.50000000000000 112.411 > 7 13 Cd 0.50000000000000 0.16666666666667 0.25000000000000 112.411 > 1 14 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 1 15 Cd 0.50000000000000 0.83333333333333 0.25000000000000 112.411 > 1 16 Cd 0.50000000000000 0.16666666666667 0.75000000000000 112.411 > 1 17 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 1 18 Cd 0.50000000000000 0.83333333333333 0.75000000000000 112.411 > 1 19 Cd 0.50000000000000 0.16666666666667 0.00000000000000 112.411 > 7 20 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 7 21 Cd 0.50000000000000 0.83333333333333 0.00000000000000 112.411 > 7 22 Cd 0.50000000000000 0.16666666666667 0.50000000000000 112.411 > 7 23 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 7 24 Cd 0.50000000000000 0.83333333333333 0.50000000000000 112.411 > 7 25 Bi 0.28052691885129 0.00000000000000 0.34502110819770 208.980 > 25 26 Bi 0.28052691885129 0.33333333333333 0.34502110819770 208.980 > 25 27 Bi 0.28052691885129 0.66666666666667 0.34502110819770 208.980 > 25 28 Bi 0.28052691885129 0.00000000000000 0.84502110819770 208.980 > 25 29 Bi 0.28052691885129 0.33333333333333 0.84502110819770 208.980 > 25 30 Bi 0.28052691885129 0.66666666666667 0.84502110819770 208.980 > 25 31 Bi 0.21947308114871 0.16666666666667 0.15497889180230 208.980 > 31 32 Bi 0.21947308114871 0.50000000000000 0.15497889180230 208.980 > 31 33 Bi 0.21947308114871 0.83333333333333 0.15497889180230 208.980 > 31 34 Bi 0.21947308114871 0.16666666666667 0.65497889180230 208.980 > 31 35 Bi 0.21947308114871 0.50000000000000 0.65497889180230 208.980 > 31 36 Bi 0.21947308114871 0.83333333333333 0.65497889180230 208.980 > 31 37 Bi 0.78052691885129 0.16666666666667 0.34502110819770 208.980 > 25 38 Bi 0.78052691885129 0.50000000000000 0.34502110819770 208.980 > 25 39 Bi 0.78052691885129 0.83333333333333 0.34502110819770 208.980 > 25 40 Bi 0.78052691885129 0.16666666666667 0.84502110819770 208.980 > 25 41 Bi 0.78052691885129 0.50000000000000 0.84502110819770 208.980 > 25 42 Bi 0.78052691885129 0.83333333333333 0.84502110819770 208.980 > 25 43 Bi 0.71947308114871 0.00000000000000 0.15497889180230 208.980 > 31 44 Bi 0.71947308114871 0.33333333333333 0.15497889180230 208.980 > 31 45 Bi 0.71947308114871 0.66666666666667 0.15497889180230 208.980 > 31 46 Bi 0.71947308114871 0.00000000000000 0.65497889180230 208.980 > 31 47 Bi 0.71947308114871 0.33333333333333 0.65497889180230 208.980 > 31 48 Bi 0.71947308114871 0.66666666666667 0.65497889180230 208.980 > 31 49 Se 0.35700807602937 0.00000000000000 0.22013761282170 78.960 > 49 50 Se 0.35700807602937 0.33333333333333 0.22013761282170 78.960 > 49 51 Se 0.35700807602937 0.66666666666667 0.22013761282170 78.960 > 49 52 Se 0.35700807602937 0.00000000000000 0.72013761282170 78.960 > 49 53 Se 0.35700807602937 0.33333333333333 0.72013761282170 78.960 > 49 54 Se 0.35700807602937 0.66666666666667 0.72013761282170 78.960 > 49 55 Se 0.14299192397063 0.16666666666667 0.27986238717830 78.960 > 55 56 Se 0.14299192397063 0.50000000000000 0.27986238717830 78.960 > 55 57 Se 0.14299192397063 0.83333333333333 0.27986238717830 78.960 > 55 58 Se 0.14299192397063 0.16666666666667 0.77986238717830 78.960 > 55 59 Se 0.14299192397063 0.50000000000000 0.77986238717830 78.960 > 55 60 Se 0.14299192397063 0.83333333333333 0.77986238717830 78.960 > 55 61 Se 0.41965583063410 0.16666666666667 0.37118443895616 78.960 > 61 62 Se 0.41965583063410 0.50000000000000 0.37118443895616 78.960 > 61 63 Se 0.41965583063410 0.83333333333333 0.37118443895616 78.960 > 61 64 Se 0.41965583063410 0.16666666666667 0.87118443895616 78.960 > 61 65 Se 0.41965583063410 0.50000000000000 0.87118443895616 78.960 > 61 66 Se 0.41965583063410 0.83333333333333 0.87118443895616 78.960 > 61 67 Se 0.08034416936590 0.00000000000000 0.12881556104384 78.960 > 67 68 Se 0.08034416936590 0.33333333333333 0.12881556104384 78.960 > 67 69 Se 0.08034416936590 0.66666666666667 0.12881556104384 78.960 > 67 70 Se 0.08034416936590 0.00000000000000 0.62881556104384 78.960 > 67 71 Se 0.08034416936590 0.33333333333333 0.62881556104384 78.960 > 67 72 Se 0.08034416936590 0.66666666666667 0.62881556104384 78.960 > 67 73 Se 0.85700807602937 0.16666666666667 0.22013761282170 78.960 > 49 74 Se 0.85700807602937 0.50000000000000 0.22013761282170 78.960 > 49 75 Se 0.85700807602937 0.83333333333333 0.22013761282170 78.960 > 49 76 Se 0.85700807602937 0.16666666666667 0.72013761282170 78.960 > 49 77 Se 0.85700807602937 0.50000000000000 0.72013761282170 78.960 > 49 78 Se 0.85700807602937 0.83333333333333 0.72013761282170 78.960 > 49 79 Se 0.64299192397063 0.00000000000000 0.27986238717830 78.960 > 55 80 Se 0.64299192397063 0.33333333333333 0.27986238717830 78.960 > 55 81 Se 0.64299192397063 0.66666666666667 0.27986238717830 78.960 > 55 82 Se 0.64299192397063 0.00000000000000 0.77986238717830 78.960 > 55 83 Se 0.64299192397063 0.33333333333333 0.77986238717830 78.960 > 55 84 Se 0.64299192397063 0.66666666666667 0.77986238717830 78.960 > 55 85 Se 0.91965583063410 0.00000000000000 0.37118443895616 78.960 > 61 86 Se 0.91965583063410 0.33333333333333 0.37118443895616 78.960 > 61 87 Se 0.91965583063410 0.66666666666667 0.37118443895616 78.960 > 61 88 Se 0.91965583063410 0.00000000000000 0.87118443895616 78.960 > 61 89 Se 0.91965583063410 0.33333333333333 0.87118443895616 78.960 > 61 90 Se 0.91965583063410 0.66666666666667 0.87118443895616 78.960 > 61 91 Se 0.58034416936590 0.16666666666667 0.12881556104384 78.960 > 67 92 Se 0.58034416936590 0.50000000000000 0.12881556104384 78.960 > 67 93 Se 0.58034416936590 0.83333333333333 0.12881556104384 78.960 > 67 94 Se 0.58034416936590 0.16666666666667 0.62881556104384 78.960 > 67 95 Se 0.58034416936590 0.50000000000000 0.62881556104384 78.960 > 67 96 Se 0.58034416936590 0.83333333333333 0.62881556104384 78.960 > 67 97 I 0.14152480519941 0.16666666666667 0.46257680854349 126.904 > 97 98 I 0.14152480519941 0.50000000000000 0.46257680854349 126.904 > 97 99 I 0.14152480519941 0.83333333333333 0.46257680854349 126.904 > 97 100 I 0.14152480519941 0.16666666666667 0.96257680854349 126.904 > 97 101 I 0.14152480519941 0.50000000000000 0.96257680854349 126.904 > 97 102 I 0.14152480519941 0.83333333333333 0.96257680854349 126.904 > 97 103 I 0.35847519480059 0.00000000000000 0.03742319145651 126.904 > 103 104 I 0.35847519480059 0.33333333333333 0.03742319145651 126.904 > 103 105 I 0.35847519480059 0.66666666666667 0.03742319145651 126.904 > 103 106 I 0.35847519480059 0.00000000000000 0.53742319145650 126.904 > 103 107 I 0.35847519480059 0.33333333333333 0.53742319145650 126.904 > 103 108 I 0.35847519480059 0.66666666666667 0.53742319145650 126.904 > 103 109 I 0.64152480519941 0.00000000000000 0.46257680854349 126.904 > 97 110 I 0.64152480519941 0.33333333333333 0.46257680854349 126.904 > 97 111 I 0.64152480519941 0.66666666666667 0.46257680854349 126.904 > 97 112 I 0.64152480519941 0.00000000000000 0.96257680854349 126.904 > 97 113 I 0.64152480519941 0.33333333333333 0.96257680854349 126.904 > 97 114 I 0.64152480519941 0.66666666666667 0.96257680854349 126.904 > 97 115 I 0.85847519480059 0.16666666666667 0.03742319145651 126.904 > 103 116 I 0.85847519480059 0.50000000000000 0.03742319145651 126.904 > 103 117 I 0.85847519480059 0.83333333333333 0.03742319145651 126.904 > 103 118 I 0.85847519480059 0.16666666666667 0.53742319145650 126.904 > 103 119 I 0.85847519480059 0.50000000000000 0.53742319145650 126.904 > 103 120 I 0.85847519480059 0.83333333333333 0.53742319145650 126.904 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9748537 0.0000000 0.7578597 0.0000000 14.7792556 0.0000000 0.7578549 0.0000000 11.8888205 -------------------------- Born effective charges -------------------------- 1 Cd 4.4506312 0.0000000 -0.7290977 0.0000000 3.6228976 0.0000000 -0.5119878 0.0000000 1.7785357 2 Cd 3.1877277 0.0000000 1.0211441 0.0000000 2.9843649 0.0000000 0.0028698 0.0000000 3.9987093 3 Bi 3.1851292 0.0000000 0.3390753 0.0000000 6.8540441 0.0000000 0.4795979 0.0000000 3.5874227 4 Bi 3.1851292 0.0000000 0.3390753 0.0000000 6.8540441 0.0000000 0.4795979 0.0000000 3.5874227 5 Se -2.8463947 0.0000000 -0.4958281 0.0000000 -4.0070467 0.0000000 -0.2306893 0.0000000 -1.9907669 6 Se -2.8463947 0.0000000 -0.4958281 0.0000000 -4.0070467 0.0000000 -0.2306893 0.0000000 -1.9907669 7 Se -2.2875565 0.0000000 -0.4113631 0.0000000 -4.0382495 0.0000000 -0.5837953 0.0000000 -1.9800684 8 Se -2.2875565 0.0000000 -0.4113631 0.0000000 -4.0382495 0.0000000 -0.5837953 0.0000000 -1.9800684 9 I -1.8703575 0.0000000 0.4220928 0.0000000 -2.1123790 0.0000000 0.5894457 0.0000000 -2.5052098 10 I -1.8703575 0.0000000 0.4220928 0.0000000 -2.1123790 0.0000000 0.5894457 0.0000000 -2.5052098 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 7, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:10:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:10:30]------------------------- 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): [1 3 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.767373295621483 -2.091184080000001 0.000000000000000 b 6.767373295621483 2.091184080000001 0.000000000000000 c -0.231957903264225 0.000000000000000 10.027152627305421 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 2 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 3 Bi 0.28052691885129 0.28052691885129 0.69004221639540 208.980 4 Bi 0.71947308114871 0.71947308114871 0.30995778360460 208.980 5 Se 0.35700807602937 0.35700807602937 0.44027522564340 78.960 6 Se 0.64299192397063 0.64299192397063 0.55972477435660 78.960 7 Se 0.91965583063410 0.91965583063410 0.74236887791232 78.960 8 Se 0.08034416936590 0.08034416936590 0.25763112208768 78.960 9 I 0.64152480519941 0.64152480519941 0.92515361708699 126.904 10 I 0.35847519480059 0.35847519480059 0.07484638291301 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.534746591242966 0.000000000000000 0.000000000000000 b 0.000000000000000 12.547104480000003 0.000000000000000 c -0.463915806528450 0.000000000000000 20.054305254610842 Atomic positions (fractional): 1 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 1 2 Cd 0.00000000000000 0.33333333333333 0.25000000000000 112.411 > 1 3 Cd 0.00000000000000 0.66666666666667 0.25000000000000 112.411 > 1 4 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 1 5 Cd 0.00000000000000 0.33333333333333 0.75000000000000 112.411 > 1 6 Cd 0.00000000000000 0.66666666666667 0.75000000000000 112.411 > 1 7 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 7 8 Cd 0.00000000000000 0.33333333333333 0.00000000000000 112.411 > 7 9 Cd 0.00000000000000 0.66666666666667 0.00000000000000 112.411 > 7 10 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 7 11 Cd 0.00000000000000 0.33333333333333 0.50000000000000 112.411 > 7 12 Cd 0.00000000000000 0.66666666666667 0.50000000000000 112.411 > 7 13 Cd 0.50000000000000 0.16666666666667 0.25000000000000 112.411 > 1 14 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 1 15 Cd 0.50000000000000 0.83333333333333 0.25000000000000 112.411 > 1 16 Cd 0.50000000000000 0.16666666666667 0.75000000000000 112.411 > 1 17 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 1 18 Cd 0.50000000000000 0.83333333333333 0.75000000000000 112.411 > 1 19 Cd 0.50000000000000 0.16666666666667 0.00000000000000 112.411 > 7 20 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 7 21 Cd 0.50000000000000 0.83333333333333 0.00000000000000 112.411 > 7 22 Cd 0.50000000000000 0.16666666666667 0.50000000000000 112.411 > 7 23 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 7 24 Cd 0.50000000000000 0.83333333333333 0.50000000000000 112.411 > 7 25 Bi 0.28052691885129 0.00000000000000 0.34502110819770 208.980 > 25 26 Bi 0.28052691885129 0.33333333333333 0.34502110819770 208.980 > 25 27 Bi 0.28052691885129 0.66666666666667 0.34502110819770 208.980 > 25 28 Bi 0.28052691885129 0.00000000000000 0.84502110819770 208.980 > 25 29 Bi 0.28052691885129 0.33333333333333 0.84502110819770 208.980 > 25 30 Bi 0.28052691885129 0.66666666666667 0.84502110819770 208.980 > 25 31 Bi 0.21947308114871 0.16666666666667 0.15497889180230 208.980 > 31 32 Bi 0.21947308114871 0.50000000000000 0.15497889180230 208.980 > 31 33 Bi 0.21947308114871 0.83333333333333 0.15497889180230 208.980 > 31 34 Bi 0.21947308114871 0.16666666666667 0.65497889180230 208.980 > 31 35 Bi 0.21947308114871 0.50000000000000 0.65497889180230 208.980 > 31 36 Bi 0.21947308114871 0.83333333333333 0.65497889180230 208.980 > 31 37 Bi 0.78052691885129 0.16666666666667 0.34502110819770 208.980 > 25 38 Bi 0.78052691885129 0.50000000000000 0.34502110819770 208.980 > 25 39 Bi 0.78052691885129 0.83333333333333 0.34502110819770 208.980 > 25 40 Bi 0.78052691885129 0.16666666666667 0.84502110819770 208.980 > 25 41 Bi 0.78052691885129 0.50000000000000 0.84502110819770 208.980 > 25 42 Bi 0.78052691885129 0.83333333333333 0.84502110819770 208.980 > 25 43 Bi 0.71947308114871 0.00000000000000 0.15497889180230 208.980 > 31 44 Bi 0.71947308114871 0.33333333333333 0.15497889180230 208.980 > 31 45 Bi 0.71947308114871 0.66666666666667 0.15497889180230 208.980 > 31 46 Bi 0.71947308114871 0.00000000000000 0.65497889180230 208.980 > 31 47 Bi 0.71947308114871 0.33333333333333 0.65497889180230 208.980 > 31 48 Bi 0.71947308114871 0.66666666666667 0.65497889180230 208.980 > 31 49 Se 0.35700807602937 0.00000000000000 0.22013761282170 78.960 > 49 50 Se 0.35700807602937 0.33333333333333 0.22013761282170 78.960 > 49 51 Se 0.35700807602937 0.66666666666667 0.22013761282170 78.960 > 49 52 Se 0.35700807602937 0.00000000000000 0.72013761282170 78.960 > 49 53 Se 0.35700807602937 0.33333333333333 0.72013761282170 78.960 > 49 54 Se 0.35700807602937 0.66666666666667 0.72013761282170 78.960 > 49 55 Se 0.14299192397063 0.16666666666667 0.27986238717830 78.960 > 55 56 Se 0.14299192397063 0.50000000000000 0.27986238717830 78.960 > 55 57 Se 0.14299192397063 0.83333333333333 0.27986238717830 78.960 > 55 58 Se 0.14299192397063 0.16666666666667 0.77986238717830 78.960 > 55 59 Se 0.14299192397063 0.50000000000000 0.77986238717830 78.960 > 55 60 Se 0.14299192397063 0.83333333333333 0.77986238717830 78.960 > 55 61 Se 0.41965583063410 0.16666666666667 0.37118443895616 78.960 > 61 62 Se 0.41965583063410 0.50000000000000 0.37118443895616 78.960 > 61 63 Se 0.41965583063410 0.83333333333333 0.37118443895616 78.960 > 61 64 Se 0.41965583063410 0.16666666666667 0.87118443895616 78.960 > 61 65 Se 0.41965583063410 0.50000000000000 0.87118443895616 78.960 > 61 66 Se 0.41965583063410 0.83333333333333 0.87118443895616 78.960 > 61 67 Se 0.08034416936590 0.00000000000000 0.12881556104384 78.960 > 67 68 Se 0.08034416936590 0.33333333333333 0.12881556104384 78.960 > 67 69 Se 0.08034416936590 0.66666666666667 0.12881556104384 78.960 > 67 70 Se 0.08034416936590 0.00000000000000 0.62881556104384 78.960 > 67 71 Se 0.08034416936590 0.33333333333333 0.62881556104384 78.960 > 67 72 Se 0.08034416936590 0.66666666666667 0.62881556104384 78.960 > 67 73 Se 0.85700807602937 0.16666666666667 0.22013761282170 78.960 > 49 74 Se 0.85700807602937 0.50000000000000 0.22013761282170 78.960 > 49 75 Se 0.85700807602937 0.83333333333333 0.22013761282170 78.960 > 49 76 Se 0.85700807602937 0.16666666666667 0.72013761282170 78.960 > 49 77 Se 0.85700807602937 0.50000000000000 0.72013761282170 78.960 > 49 78 Se 0.85700807602937 0.83333333333333 0.72013761282170 78.960 > 49 79 Se 0.64299192397063 0.00000000000000 0.27986238717830 78.960 > 55 80 Se 0.64299192397063 0.33333333333333 0.27986238717830 78.960 > 55 81 Se 0.64299192397063 0.66666666666667 0.27986238717830 78.960 > 55 82 Se 0.64299192397063 0.00000000000000 0.77986238717830 78.960 > 55 83 Se 0.64299192397063 0.33333333333333 0.77986238717830 78.960 > 55 84 Se 0.64299192397063 0.66666666666667 0.77986238717830 78.960 > 55 85 Se 0.91965583063410 0.00000000000000 0.37118443895616 78.960 > 61 86 Se 0.91965583063410 0.33333333333333 0.37118443895616 78.960 > 61 87 Se 0.91965583063410 0.66666666666667 0.37118443895616 78.960 > 61 88 Se 0.91965583063410 0.00000000000000 0.87118443895616 78.960 > 61 89 Se 0.91965583063410 0.33333333333333 0.87118443895616 78.960 > 61 90 Se 0.91965583063410 0.66666666666667 0.87118443895616 78.960 > 61 91 Se 0.58034416936590 0.16666666666667 0.12881556104384 78.960 > 67 92 Se 0.58034416936590 0.50000000000000 0.12881556104384 78.960 > 67 93 Se 0.58034416936590 0.83333333333333 0.12881556104384 78.960 > 67 94 Se 0.58034416936590 0.16666666666667 0.62881556104384 78.960 > 67 95 Se 0.58034416936590 0.50000000000000 0.62881556104384 78.960 > 67 96 Se 0.58034416936590 0.83333333333333 0.62881556104384 78.960 > 67 97 I 0.14152480519941 0.16666666666667 0.46257680854349 126.904 > 97 98 I 0.14152480519941 0.50000000000000 0.46257680854349 126.904 > 97 99 I 0.14152480519941 0.83333333333333 0.46257680854349 126.904 > 97 100 I 0.14152480519941 0.16666666666667 0.96257680854349 126.904 > 97 101 I 0.14152480519941 0.50000000000000 0.96257680854349 126.904 > 97 102 I 0.14152480519941 0.83333333333333 0.96257680854349 126.904 > 97 103 I 0.35847519480059 0.00000000000000 0.03742319145651 126.904 > 103 104 I 0.35847519480059 0.33333333333333 0.03742319145651 126.904 > 103 105 I 0.35847519480059 0.66666666666667 0.03742319145651 126.904 > 103 106 I 0.35847519480059 0.00000000000000 0.53742319145650 126.904 > 103 107 I 0.35847519480059 0.33333333333333 0.53742319145650 126.904 > 103 108 I 0.35847519480059 0.66666666666667 0.53742319145650 126.904 > 103 109 I 0.64152480519941 0.00000000000000 0.46257680854349 126.904 > 97 110 I 0.64152480519941 0.33333333333333 0.46257680854349 126.904 > 97 111 I 0.64152480519941 0.66666666666667 0.46257680854349 126.904 > 97 112 I 0.64152480519941 0.00000000000000 0.96257680854349 126.904 > 97 113 I 0.64152480519941 0.33333333333333 0.96257680854349 126.904 > 97 114 I 0.64152480519941 0.66666666666667 0.96257680854349 126.904 > 97 115 I 0.85847519480059 0.16666666666667 0.03742319145651 126.904 > 103 116 I 0.85847519480059 0.50000000000000 0.03742319145651 126.904 > 103 117 I 0.85847519480059 0.83333333333333 0.03742319145651 126.904 > 103 118 I 0.85847519480059 0.16666666666667 0.53742319145650 126.904 > 103 119 I 0.85847519480059 0.50000000000000 0.53742319145650 126.904 > 103 120 I 0.85847519480059 0.83333333333333 0.53742319145650 126.904 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.9748537 0.0000000 0.7578597 0.0000000 14.7792556 0.0000000 0.7578549 0.0000000 11.8888205 -------------------------- Born effective charges -------------------------- 1 Cd 4.4506312 0.0000000 -0.7290977 0.0000000 3.6228976 0.0000000 -0.5119878 0.0000000 1.7785357 2 Cd 3.1877277 0.0000000 1.0211441 0.0000000 2.9843649 0.0000000 0.0028698 0.0000000 3.9987093 3 Bi 3.1851292 0.0000000 0.3390753 0.0000000 6.8540441 0.0000000 0.4795979 0.0000000 3.5874227 4 Bi 3.1851292 0.0000000 0.3390753 0.0000000 6.8540441 0.0000000 0.4795979 0.0000000 3.5874227 5 Se -2.8463947 0.0000000 -0.4958281 0.0000000 -4.0070467 0.0000000 -0.2306893 0.0000000 -1.9907669 6 Se -2.8463947 0.0000000 -0.4958281 0.0000000 -4.0070467 0.0000000 -0.2306893 0.0000000 -1.9907669 7 Se -2.2875565 0.0000000 -0.4113631 0.0000000 -4.0382495 0.0000000 -0.5837953 0.0000000 -1.9800684 8 Se -2.2875565 0.0000000 -0.4113631 0.0000000 -4.0382495 0.0000000 -0.5837953 0.0000000 -1.9800684 9 I -1.8703575 0.0000000 0.4220928 0.0000000 -2.1123790 0.0000000 0.5894457 0.0000000 -2.5052098 10 I -1.8703575 0.0000000 0.4220928 0.0000000 -2.1123790 0.0000000 0.5894457 0.0000000 -2.5052098 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 13 13 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: 0.63, Number of G-points: 299, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/231) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.877 ( 0.000 0.000 0.000) 0.000 0.952 ( 0.000 0.000 0.000) 0.000 1.069 ( 0.000 0.000 0.000) 0.000 1.504 ( 0.000 0.000 0.000) 0.000 1.525 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 2.153 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.263 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/231) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.171 ( 2.121 -11.358 -0.078) 11.554 0.376 ( -3.138 -20.618 -3.219) 21.102 0.600 ( 11.576 -27.904 2.448) 30.309 0.951 ( -1.306 -1.112 -1.259) 2.128 1.070 ( 1.737 -8.393 2.734) 8.997 1.120 ( -0.404 -4.553 -1.413) 4.784 1.467 ( -5.106 2.458 5.159) 7.664 1.522 ( 4.249 2.182 -4.451) 6.529 1.642 ( -1.974 0.974 0.998) 2.417 1.654 ( 0.000 0.717 -1.576) 1.732 1.858 ( 0.023 -0.608 -1.530) 1.647 2.185 ( -3.654 -3.249 -0.471) 4.912 2.194 ( -9.151 -6.311 -2.882) 11.484 2.335 ( 11.074 -2.544 3.547) 11.903 2.775 ( 0.013 10.549 -0.094) 10.549 2.936 ( -0.988 -0.929 -0.229) 1.375 3.222 ( -2.262 -11.863 0.391) 12.084 3.312 ( -0.786 -7.210 0.284) 7.258 3.419 ( -2.557 -1.180 1.846) 3.367 3.477 ( 4.136 -2.682 0.326) 4.940 3.944 ( -1.325 10.303 -0.303) 10.392 4.016 ( -3.527 1.157 -1.454) 3.987 4.201 ( -3.111 -2.359 -0.562) 3.945 4.678 ( -15.929 -2.326 -6.664) 17.423 4.746 ( -5.168 -2.285 -5.780) 8.083 4.948 ( 14.887 5.595 18.905) 24.705 5.075 ( -0.034 2.663 0.966) 2.833 5.427 ( -0.652 0.058 -0.454) 0.797 5.476 ( 3.359 0.690 -6.104) 7.002 5.705 ( -0.024 0.290 -0.150) 0.328 ======================= Grid point 2 (3/231) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 1.408 -15.071 -1.509) 15.211 0.712 ( -4.175 -17.966 -3.196) 18.720 0.979 ( -0.856 -3.143 -1.173) 3.462 1.112 ( 6.999 -17.833 0.432) 19.163 1.191 ( -3.334 -4.703 0.552) 5.791 1.287 ( 2.723 -12.945 1.337) 13.296 1.393 ( -1.249 0.519 3.861) 4.091 1.501 ( 5.859 2.876 -1.163) 6.630 1.621 ( -1.726 0.301 0.159) 1.759 1.667 ( -1.947 -2.126 -0.939) 3.032 1.865 ( -1.128 -0.493 -2.478) 2.767 2.216 ( -2.578 -1.737 0.201) 3.115 2.270 ( -6.703 -5.951 -1.769) 9.136 2.426 ( 5.712 -1.470 1.312) 6.042 2.618 ( 3.019 7.387 0.674) 8.009 2.948 ( 2.455 0.393 1.053) 2.700 3.363 ( -4.172 -4.662 -0.944) 6.327 3.431 ( 1.126 -2.966 1.818) 3.657 3.476 ( -4.457 -9.722 -0.841) 10.728 3.599 ( 3.933 -6.486 0.990) 7.649 3.751 ( -0.377 8.262 -1.069) 8.339 3.959 ( -2.491 3.205 -0.420) 4.081 4.192 ( -4.502 0.379 -0.092) 4.519 4.614 ( -7.086 1.987 -2.184) 7.677 4.736 ( -1.897 1.353 -3.742) 4.408 4.921 ( 5.252 4.028 6.680) 9.404 5.015 ( 1.074 3.762 2.548) 4.668 5.421 ( -0.771 0.144 -0.433) 0.896 5.480 ( 1.819 0.401 -2.281) 2.945 5.696 ( -0.094 0.644 -0.329) 0.729 ======================= Grid point 3 (4/231) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 1.526 -14.518 -1.912) 14.723 0.968 ( -4.428 -11.301 -2.548) 12.402 1.058 ( -2.008 -6.753 -0.651) 7.075 1.212 ( -2.699 -3.032 -0.229) 4.065 1.318 ( -3.294 -1.285 -0.355) 3.553 1.364 ( 4.612 -3.971 4.623) 7.643 1.479 ( 5.738 3.596 1.781) 7.002 1.586 ( -1.499 -2.279 -2.574) 3.751 1.662 ( 0.228 -3.793 1.957) 4.274 1.727 ( 3.568 -11.747 -0.217) 12.279 1.854 ( -4.203 0.149 -1.603) 4.501 2.226 ( 0.468 -0.793 0.864) 1.263 2.303 ( -1.410 0.300 -0.998) 1.753 2.471 ( 1.749 -1.927 -0.164) 2.607 2.533 ( 4.219 4.249 0.607) 6.018 2.943 ( 2.150 1.546 0.696) 2.738 3.389 ( -2.249 -0.947 -1.329) 2.779 3.467 ( -3.518 -0.420 1.718) 3.937 3.565 ( -2.982 0.935 -3.157) 4.442 3.649 ( -3.842 -7.398 2.513) 8.707 3.791 ( 1.474 -4.972 -1.206) 5.324 3.877 ( -3.910 2.436 -0.502) 4.635 4.163 ( -0.294 0.312 0.919) 1.014 4.526 ( -3.044 4.512 -0.819) 5.504 4.678 ( -2.458 3.111 -2.616) 4.750 4.860 ( 0.956 4.387 1.246) 4.659 4.956 ( 1.193 3.511 3.561) 5.141 5.411 ( -0.867 0.466 -0.321) 1.036 5.480 ( 0.710 0.371 -0.972) 1.259 5.681 ( -0.245 0.844 -0.414) 0.972 ======================= Grid point 4 (5/231) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 1.020 -10.562 -1.889) 10.778 1.069 ( -2.570 -3.485 -0.975) 4.438 1.157 ( -3.165 -3.896 0.027) 5.020 1.286 ( -1.470 -4.682 1.727) 5.202 1.343 ( -1.177 -3.607 -0.581) 3.838 1.396 ( 6.029 5.381 4.967) 9.486 1.452 ( 1.269 -0.637 -1.525) 2.084 1.574 ( -3.168 1.893 -4.060) 5.486 1.655 ( -0.154 1.544 -0.053) 1.553 1.762 ( -5.698 2.985 3.165) 7.169 1.988 ( -0.479 -8.296 1.130) 8.387 2.253 ( 4.584 3.264 -1.006) 5.717 2.281 ( 5.155 -0.773 0.245) 5.219 2.504 ( 4.694 -0.937 0.031) 4.787 2.543 ( -1.749 -4.279 -0.548) 4.655 2.925 ( 2.970 1.703 1.006) 3.569 3.375 ( -4.778 0.566 -2.858) 5.596 3.420 ( -3.831 1.085 3.434) 5.258 3.554 ( -0.543 1.008 -3.439) 3.625 3.750 ( -6.566 -6.177 1.923) 9.218 3.774 ( -8.362 -0.239 -2.332) 8.684 3.877 ( -3.018 -0.574 0.072) 3.073 4.207 ( 5.254 -3.213 0.586) 6.186 4.413 ( 0.713 6.902 -0.132) 6.940 4.610 ( -3.283 2.237 -1.545) 4.262 4.775 ( -0.475 4.947 -0.529) 4.998 4.900 ( 0.296 2.888 3.011) 4.182 5.396 ( -0.838 0.575 -0.109) 1.022 5.472 ( 0.013 0.767 -0.471) 0.901 5.664 ( -0.464 0.685 -0.373) 0.907 ======================= Grid point 5 (6/231) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 1.446 2.274 -0.480) 2.738 1.094 ( -1.332 -0.499 -0.396) 1.477 1.218 ( 1.788 0.813 0.030) 1.964 1.242 ( -1.072 -0.870 -1.553) 2.078 1.336 ( -1.337 3.406 1.337) 3.896 1.385 ( -5.433 4.810 -0.637) 7.285 1.470 ( -0.525 -4.426 1.024) 4.573 1.523 ( -1.543 -2.239 -0.962) 2.884 1.646 ( 1.016 0.261 -1.194) 1.590 1.724 ( -1.197 -0.684 4.943) 5.132 2.070 ( -2.553 -3.048 0.708) 4.039 2.203 ( 5.446 4.452 -0.324) 7.041 2.317 ( 9.440 1.197 -0.208) 9.518 2.576 ( -7.261 -3.302 -3.478) 8.702 2.631 ( 4.530 -5.538 2.119) 7.462 2.938 ( 4.341 -1.733 1.713) 4.979 3.295 ( -4.152 4.416 -0.870) 6.123 3.408 ( -3.748 -0.938 0.352) 3.880 3.510 ( -4.487 2.127 -3.458) 6.051 3.709 ( -3.393 2.574 0.435) 4.281 3.842 ( -8.773 -8.112 -1.050) 11.995 3.873 ( -3.097 -1.756 0.786) 3.646 4.253 ( 4.355 6.374 0.042) 7.720 4.331 ( 3.609 -1.108 0.026) 3.775 4.562 ( -2.488 1.148 -0.081) 2.742 4.676 ( -1.208 4.986 -1.106) 5.248 4.860 ( 0.345 1.619 1.913) 2.530 5.385 ( -0.486 0.109 0.079) 0.505 5.452 ( -0.328 1.305 -0.294) 1.378 5.652 ( -0.543 0.374 -0.265) 0.711 ======================= Grid point 6 (7/231) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 1.429 7.186 0.017) 7.326 1.115 ( 1.167 -1.462 -0.507) 1.939 1.169 ( -1.962 2.624 0.546) 3.321 1.187 ( -3.162 3.397 -0.842) 4.717 1.328 ( -0.435 -0.656 -1.792) 1.957 1.371 ( -1.074 -3.855 0.544) 4.038 1.492 ( 1.265 1.474 1.481) 2.443 1.588 ( -2.799 -4.267 -0.377) 5.117 1.636 ( 2.023 1.770 0.415) 2.719 1.744 ( -0.068 -0.993 1.414) 1.729 2.096 ( -1.553 -1.276 -0.284) 2.030 2.158 ( 2.635 2.596 0.590) 3.745 2.381 ( 11.042 -1.239 1.465) 11.208 2.533 ( -10.828 0.897 -3.641) 11.459 2.729 ( 2.006 -1.958 1.115) 3.017 3.051 ( 4.138 -7.052 3.530) 8.906 3.193 ( -1.300 5.329 -3.145) 6.323 3.391 ( -2.842 0.358 1.146) 3.085 3.418 ( -4.420 3.217 -2.514) 6.017 3.682 ( 0.297 -0.055 0.341) 0.456 3.883 ( -1.113 -0.928 -0.089) 1.452 3.961 ( -7.512 -8.646 -0.219) 11.455 4.125 ( 5.801 8.694 0.318) 10.457 4.383 ( 1.368 -1.389 -0.266) 1.968 4.537 ( -1.392 0.549 0.949) 1.772 4.598 ( -0.266 2.251 -1.137) 2.535 4.844 ( 0.235 0.467 0.649) 0.833 5.387 ( -0.060 -0.374 0.110) 0.394 5.426 ( -0.267 0.986 -0.159) 1.034 5.645 ( -0.253 0.121 -0.103) 0.299 ======================= Grid point 14 (8/231) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.153 ( 13.364 0.000 0.355) 13.369 0.212 ( 18.261 0.000 1.742) 18.344 0.303 ( 26.304 0.000 2.054) 26.384 0.888 ( 2.024 0.000 0.065) 2.025 1.057 ( -2.239 -0.000 17.778) 17.918 1.058 ( -1.846 -0.000 0.097) 1.848 1.458 ( -5.612 -0.000 7.708) 9.535 1.558 ( 2.942 0.000 -6.637) 7.260 1.645 ( -2.200 -0.000 -4.246) 4.782 1.664 ( -0.105 -0.000 0.036) 0.111 1.840 ( -2.372 -0.000 -5.500) 5.990 2.057 ( -10.199 -0.000 -1.664) 10.334 2.144 ( -3.977 -0.000 0.279) 3.987 2.437 ( 12.954 0.000 4.142) 13.600 2.526 ( 1.813 0.000 -0.524) 1.887 2.933 ( -7.026 -0.000 -0.749) 7.066 3.020 ( 1.668 0.000 0.369) 1.708 3.261 ( 3.929 0.000 -0.260) 3.938 3.301 ( 6.211 0.000 17.926) 18.972 3.453 ( 1.943 0.000 2.281) 2.996 3.922 ( -1.522 -0.000 -10.314) 10.425 4.143 ( 0.008 0.000 0.235) 0.235 4.168 ( -0.385 -0.000 -0.121) 0.403 4.237 ( -3.928 -0.000 -4.968) 6.333 4.748 ( 2.731 0.000 -0.685) 2.816 5.062 ( -4.812 -0.000 10.891) 11.907 5.154 ( 2.162 0.000 32.135) 32.207 5.427 ( -0.436 -0.000 -1.761) 1.815 5.559 ( 1.864 0.000 -32.366) 32.420 5.708 ( -0.015 -0.000 0.066) 0.067 ======================= Grid point 15 (9/231) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.219 ( 7.432 -6.313 -5.130) 11.018 0.395 ( 7.027 -13.338 -0.848) 15.100 0.769 ( 15.794 -22.145 2.352) 27.302 0.938 ( -0.233 -2.164 -0.748) 2.301 1.091 ( 0.014 -6.624 2.613) 7.121 1.113 ( 0.571 -5.606 -1.514) 5.835 1.409 ( -5.022 1.515 5.881) 7.881 1.559 ( 1.585 0.702 -1.209) 2.113 1.610 ( -3.037 1.431 -3.666) 4.971 1.647 ( -0.960 1.098 -1.029) 1.784 1.847 ( -2.709 -1.702 -5.248) 6.146 2.077 ( -7.825 -7.628 -0.381) 10.935 2.151 ( -4.470 -2.752 -0.356) 5.261 2.460 ( 10.336 0.025 2.940) 10.746 2.771 ( -0.979 7.945 0.410) 8.015 2.908 ( -3.859 -9.172 -0.489) 9.962 3.181 ( -3.937 -10.482 0.666) 11.217 3.310 ( 1.669 -5.393 2.039) 6.002 3.403 ( -0.181 -1.973 1.447) 2.454 3.539 ( 6.264 -4.732 1.968) 8.094 3.914 ( -3.617 10.782 -1.531) 11.475 3.953 ( -5.860 -2.000 -2.406) 6.643 4.158 ( -3.490 0.223 -0.340) 3.513 4.489 ( -12.412 -10.108 -4.029) 16.506 4.763 ( 3.570 0.540 -1.385) 3.868 5.008 ( -2.227 2.832 6.109) 7.092 5.110 ( 4.673 4.768 11.971) 13.707 5.420 ( -0.538 0.250 -1.560) 1.669 5.520 ( 3.909 2.454 -9.141) 10.240 5.705 ( -0.037 0.323 -0.375) 0.497 ======================= Grid point 16 (10/231) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 2.500 -14.349 -4.524) 15.252 0.685 ( 0.379 -15.039 -2.803) 15.302 0.968 ( -0.867 -3.375 -1.513) 3.799 1.138 ( -5.019 -2.850 -0.825) 5.830 1.189 ( 4.902 -12.097 0.803) 13.077 1.316 ( 2.127 -6.923 3.495) 8.041 1.420 ( 5.670 -8.918 2.889) 10.956 1.551 ( 0.759 0.432 5.315) 5.386 1.595 ( -1.531 -0.942 -0.275) 1.819 1.645 ( -1.140 -1.748 -5.563) 5.941 1.844 ( -2.689 0.243 -4.844) 5.546 2.182 ( -3.518 -4.079 -0.108) 5.388 2.196 ( -5.094 -7.207 -0.521) 8.841 2.492 ( 5.819 1.607 1.228) 6.161 2.656 ( 3.196 5.520 1.210) 6.492 2.980 ( 2.631 -0.292 1.176) 2.897 3.314 ( -4.197 -6.091 -0.668) 7.427 3.422 ( -2.839 -3.368 -0.617) 4.448 3.444 ( -0.880 -5.648 1.645) 5.948 3.626 ( 0.595 0.369 0.680) 0.976 3.755 ( 1.401 2.086 -1.290) 2.825 3.921 ( -3.939 2.987 -0.689) 4.991 4.133 ( -5.131 -1.340 0.419) 5.319 4.518 ( -8.460 -1.395 -2.447) 8.917 4.746 ( 2.492 3.557 -1.698) 4.663 4.940 ( -1.047 3.614 1.764) 4.156 5.043 ( 2.715 4.875 7.053) 8.994 5.412 ( -0.833 0.243 -0.788) 1.173 5.502 ( 2.045 1.407 -3.091) 3.964 5.694 ( -0.167 0.710 -0.558) 0.918 ======================= Grid point 17 (11/231) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 1.533 -14.308 -3.456) 14.799 0.928 ( -2.059 -11.115 -1.949) 11.470 1.038 ( -1.377 -4.941 -0.881) 5.204 1.176 ( -3.666 -4.366 1.893) 6.007 1.290 ( -1.760 -1.894 -0.598) 2.654 1.406 ( 2.440 -3.732 0.465) 4.483 1.526 ( 1.125 2.450 6.278) 6.832 1.578 ( 0.103 0.346 -4.012) 4.028 1.648 ( -1.512 -3.091 1.591) 3.791 1.765 ( 1.176 -6.085 -0.407) 6.211 1.824 ( 0.917 -3.920 -0.917) 4.129 2.243 ( 2.341 -4.045 0.359) 4.688 2.283 ( -1.566 -3.148 -0.880) 3.624 2.485 ( 0.926 0.310 -0.418) 1.062 2.593 ( 5.729 4.338 1.243) 7.293 2.974 ( 3.115 2.024 0.837) 3.808 3.355 ( -3.523 -0.878 -2.454) 4.383 3.424 ( -3.858 1.227 2.542) 4.780 3.508 ( -6.207 -3.510 -4.113) 8.232 3.618 ( -2.233 -3.856 3.247) 5.513 3.781 ( -3.970 3.922 -2.082) 5.957 3.831 ( -3.173 -1.306 0.079) 3.432 4.171 ( 1.658 -3.596 1.125) 4.116 4.478 ( -4.874 1.239 -1.273) 5.187 4.666 ( 0.182 5.302 -1.472) 5.505 4.861 ( -0.548 4.600 -0.133) 4.634 4.968 ( 0.470 4.179 4.563) 6.205 5.400 ( -1.084 0.453 -0.452) 1.259 5.488 ( 0.671 0.988 -1.126) 1.641 5.677 ( -0.399 0.938 -0.562) 1.164 ======================= Grid point 18 (12/231) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.019 -9.843 -2.229) 10.092 1.054 ( 0.041 -4.064 0.187) 4.069 1.122 ( -2.816 -4.963 -0.878) 5.774 1.261 ( -2.608 -6.157 1.765) 6.916 1.324 ( -1.908 -2.554 -0.832) 3.295 1.427 ( -2.989 5.902 0.401) 6.628 1.475 ( 2.944 -1.600 1.373) 3.621 1.555 ( 1.049 4.167 -4.965) 6.566 1.655 ( 0.194 1.853 0.231) 1.877 1.719 ( -1.133 2.007 6.512) 6.908 1.979 ( -1.225 -5.729 1.661) 6.090 2.291 ( 2.255 1.454 -2.608) 3.742 2.353 ( 6.439 -3.096 0.540) 7.164 2.512 ( -1.740 -2.177 -2.172) 3.533 2.573 ( 5.788 -0.434 1.923) 6.115 2.964 ( 3.708 0.996 1.098) 3.993 3.314 ( -5.622 1.650 -2.974) 6.571 3.378 ( -3.830 0.556 2.659) 4.696 3.528 ( -3.964 0.450 -4.160) 5.764 3.661 ( -9.308 -2.010 -1.006) 9.576 3.692 ( -5.270 -3.127 2.126) 6.486 3.838 ( -3.502 -0.150 -0.412) 3.530 4.263 ( 4.560 -3.767 0.386) 5.927 4.416 ( -0.197 4.056 -0.211) 4.066 4.579 ( -1.912 3.056 -0.914) 3.719 4.762 ( -1.762 5.324 -0.812) 5.666 4.905 ( 0.399 2.854 2.855) 4.056 5.385 ( -0.943 0.359 -0.158) 1.021 5.471 ( -0.197 1.059 -0.456) 1.170 5.658 ( -0.619 0.743 -0.433) 1.060 ======================= Grid point 19 (13/231) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.302 0.104 -0.929) 0.982 1.089 ( 0.287 -1.431 0.359) 1.503 1.218 ( -1.453 -5.025 -4.238) 6.733 1.251 ( 0.881 4.431 2.212) 5.030 1.302 ( -3.256 8.301 -2.433) 9.243 1.344 ( -1.175 1.428 1.846) 2.613 1.455 ( -1.081 -3.696 0.916) 3.958 1.535 ( 2.780 -0.433 2.288) 3.626 1.656 ( 0.653 -0.926 -1.773) 2.104 1.715 ( -0.387 -1.144 4.856) 5.004 2.037 ( -3.258 -3.037 0.944) 4.553 2.259 ( 3.331 4.172 -1.500) 5.545 2.413 ( 6.991 -0.218 -1.123) 7.084 2.485 ( -7.196 0.841 -2.732) 7.743 2.688 ( 4.986 -5.162 2.609) 7.636 2.991 ( 4.768 -1.968 2.190) 5.604 3.250 ( -3.752 2.270 -2.402) 5.000 3.363 ( -3.967 -1.044 1.072) 4.240 3.446 ( -5.842 3.225 -3.049) 7.337 3.680 ( -2.609 -1.419 -1.517) 3.335 3.743 ( -7.729 -7.135 1.410) 10.613 3.834 ( -3.775 -2.349 -0.209) 4.452 4.302 ( 4.034 5.457 0.087) 6.786 4.365 ( 2.402 -0.968 -0.050) 2.591 4.535 ( -2.211 0.740 0.338) 2.356 4.657 ( -2.039 4.476 -1.237) 5.072 4.867 ( 0.813 1.714 1.614) 2.490 5.380 ( -0.420 -0.210 0.054) 0.473 5.446 ( -0.601 1.329 -0.271) 1.484 5.645 ( -0.594 0.261 -0.261) 0.699 ======================= Grid point 20 (14/231) ======================= q-point: ( 0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 4.051 8.763 -1.671) 9.798 1.133 ( 1.399 -0.638 0.197) 1.551 1.151 ( -0.158 0.474 -0.080) 0.506 1.177 ( 1.381 2.196 2.688) 3.736 1.321 ( -0.674 -1.094 -1.258) 1.798 1.362 ( -0.428 -4.558 -0.009) 4.578 1.502 ( 0.241 1.451 1.727) 2.268 1.560 ( -1.619 -3.391 0.212) 3.764 1.660 ( 1.990 1.323 0.013) 2.390 1.741 ( -0.316 -1.161 0.357) 1.255 2.075 ( -2.133 -2.874 0.849) 3.678 2.182 ( 0.095 4.419 -0.757) 4.485 2.342 ( -11.818 3.468 -5.389) 13.443 2.543 ( 8.150 -4.097 2.519) 9.463 2.755 ( 2.688 0.237 1.589) 3.132 3.091 ( 2.633 -5.451 3.436) 6.961 3.162 ( -4.218 5.864 -3.893) 8.206 3.379 ( 1.177 -2.645 2.175) 3.621 3.391 ( -0.304 -0.247 -2.099) 2.135 3.683 ( -0.126 0.075 -0.475) 0.497 3.852 ( -6.327 -6.499 -1.809) 9.249 3.878 ( -4.653 -6.400 1.141) 7.994 4.195 ( 6.172 8.136 0.313) 10.216 4.394 ( 0.495 -0.078 0.105) 0.512 4.522 ( -1.123 -0.760 0.525) 1.454 4.591 ( -0.914 1.511 -0.807) 1.942 4.848 ( 0.453 0.853 0.428) 1.056 5.387 ( 0.130 -0.509 0.059) 0.529 5.421 ( -0.559 0.683 -0.124) 0.892 5.642 ( -0.216 -0.170 -0.063) 0.282 ======================= Grid point 21 (15/231) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 1.044 -4.103 -1.143) 4.385 1.118 ( 1.951 1.613 1.943) 3.191 1.188 ( 1.562 -1.439 -0.516) 2.186 1.238 ( 5.045 -5.972 2.120) 8.101 1.332 ( 0.044 0.066 1.448) 1.450 1.388 ( 2.049 3.049 -0.790) 3.758 1.477 ( -1.162 -1.024 -0.592) 1.658 1.602 ( -1.232 -0.757 0.669) 1.593 1.632 ( 2.008 2.291 -0.113) 3.049 1.741 ( -0.448 0.711 -2.918) 3.037 2.108 ( 0.298 -0.600 1.847) 1.964 2.129 ( -3.086 -0.212 -1.952) 3.658 2.229 ( -12.649 0.127 -2.374) 12.871 2.641 ( 4.872 -1.219 2.112) 5.448 2.721 ( 2.477 4.993 0.790) 5.630 3.001 ( -4.170 7.154 -2.635) 8.690 3.205 ( 1.018 -6.128 1.834) 6.477 3.425 ( 2.774 -1.399 -0.615) 3.167 3.487 ( 6.685 -4.655 3.021) 8.688 3.679 ( 0.120 -0.704 -0.987) 1.218 3.886 ( -0.642 -1.025 -0.746) 1.421 4.001 ( -2.490 -4.414 -0.131) 5.070 4.102 ( 3.864 2.102 0.351) 4.413 4.362 ( -2.413 2.780 0.402) 3.703 4.552 ( 1.374 -1.360 -1.073) 2.211 4.598 ( -0.283 -3.285 1.247) 3.525 4.842 ( -0.014 -0.189 -0.699) 0.724 5.388 ( 0.161 0.282 -0.132) 0.350 5.428 ( 0.014 -1.293 0.157) 1.302 5.647 ( 0.225 -0.382 0.113) 0.457 ======================= Grid point 22 (16/231) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -1.534 -4.200 -0.124) 4.474 1.120 ( 3.018 1.303 0.516) 3.327 1.203 ( -0.755 -1.189 1.010) 1.734 1.258 ( 1.392 3.630 1.205) 4.070 1.338 ( -0.930 0.220 -2.964) 3.114 1.418 ( -0.190 -3.816 -0.548) 3.860 1.489 ( 3.446 3.794 0.234) 5.130 1.563 ( 4.344 0.112 2.786) 5.161 1.636 ( -0.633 -0.641 1.868) 2.074 1.739 ( 1.913 -1.491 -5.254) 5.787 2.093 ( 1.536 2.841 -0.588) 3.283 2.148 ( -3.988 -4.069 -0.014) 5.697 2.207 ( -9.363 -3.507 0.370) 10.005 2.578 ( -3.419 7.000 -1.204) 7.883 2.652 ( 4.746 5.318 2.178) 7.453 2.895 ( -2.989 1.562 -1.104) 3.549 3.342 ( 3.850 -6.597 0.056) 7.638 3.444 ( 2.446 1.115 -0.187) 2.695 3.541 ( 1.042 0.271 2.658) 2.868 3.763 ( 5.818 -5.010 0.025) 7.678 3.891 ( 0.894 0.372 -0.086) 0.972 3.942 ( 7.568 7.503 -0.086) 10.657 4.208 ( -3.352 -5.632 0.237) 6.559 4.283 ( -4.658 0.360 -0.215) 4.677 4.590 ( 2.412 -1.945 0.354) 3.119 4.684 ( 0.214 -5.111 0.748) 5.170 4.858 ( -0.037 -1.581 -1.645) 2.281 5.390 ( 0.395 -0.359 -0.070) 0.538 5.454 ( 0.096 -1.291 0.234) 1.316 5.657 ( 0.372 -0.446 0.202) 0.615 ======================= Grid point 23 (17/231) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -0.897 11.024 0.950) 11.101 1.108 ( 3.864 3.645 2.194) 5.748 1.189 ( 2.491 1.687 -0.846) 3.125 1.292 ( -1.345 3.971 -1.295) 4.388 1.304 ( -5.189 -5.363 -2.897) 8.005 1.376 ( 1.520 5.994 -0.349) 6.194 1.440 ( -0.804 0.351 1.137) 1.436 1.605 ( 1.928 0.193 1.712) 2.585 1.658 ( 0.267 -2.032 0.040) 2.050 1.827 ( 4.939 -3.537 -0.798) 6.127 1.991 ( 0.194 10.753 -0.573) 10.770 2.198 ( -4.248 -2.674 -0.351) 5.032 2.240 ( -2.440 -4.761 0.305) 5.359 2.457 ( -3.185 2.285 -0.110) 3.921 2.563 ( 1.270 5.228 0.540) 5.407 2.898 ( -1.695 -2.338 -0.623) 2.954 3.416 ( 2.212 1.352 1.755) 3.130 3.466 ( 4.237 -2.527 -3.175) 5.867 3.547 ( -1.738 -1.178 2.690) 3.412 3.816 ( 4.718 4.559 -0.621) 6.591 3.858 ( 5.662 3.719 1.567) 6.953 3.903 ( 1.752 1.184 -0.176) 2.122 4.148 ( -4.611 1.420 -0.635) 4.867 4.403 ( -0.801 -8.629 0.077) 8.666 4.648 ( 3.032 -2.537 1.457) 4.213 4.775 ( -0.414 -4.609 0.056) 4.628 4.896 ( -0.313 -2.510 -2.053) 3.258 5.404 ( 0.498 -0.730 0.055) 0.886 5.472 ( -0.088 -0.559 0.307) 0.644 5.668 ( 0.240 -0.633 0.218) 0.711 ======================= Grid point 24 (18/231) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.705 14.590 0.569) 14.618 1.010 ( 2.100 9.629 1.221) 9.931 1.081 ( 1.534 9.361 0.301) 9.491 1.245 ( 3.487 1.946 4.296) 5.866 1.303 ( -5.393 2.953 -6.967) 9.292 1.362 ( 3.847 -1.233 -0.887) 4.136 1.418 ( -4.505 -0.693 1.447) 4.782 1.606 ( 1.927 4.317 0.874) 4.808 1.636 ( -3.119 11.132 -0.656) 11.579 1.710 ( -0.125 4.711 -0.128) 4.714 1.892 ( 1.902 0.797 0.639) 2.159 2.228 ( 0.341 -1.527 -0.414) 1.619 2.314 ( 0.573 -2.664 0.294) 2.741 2.445 ( -2.015 0.133 0.118) 2.022 2.507 ( -0.722 -0.711 -0.162) 1.027 2.926 ( -0.769 -1.032 -0.269) 1.315 3.406 ( 0.808 0.654 0.416) 1.119 3.497 ( 1.578 2.617 -0.642) 3.123 3.580 ( 0.191 -5.086 0.817) 5.155 3.702 ( 4.962 9.376 -0.845) 10.642 3.758 ( -3.945 8.893 0.678) 9.753 3.909 ( 1.470 -2.569 0.270) 2.972 4.170 ( 0.515 -3.188 -0.348) 3.248 4.545 ( 0.582 -6.663 0.189) 6.691 4.717 ( 3.127 -2.998 2.250) 4.881 4.840 ( -1.962 -2.743 -1.794) 3.820 4.944 ( -0.527 -3.248 -1.176) 3.494 5.418 ( 0.352 -0.547 0.114) 0.660 5.474 ( -0.329 0.099 0.395) 0.523 5.683 ( 0.080 -0.797 0.153) 0.816 ======================= Grid point 25 (19/231) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 15.254 0.000) 15.254 0.746 ( 0.000 17.877 0.000) 17.877 0.985 ( 0.000 2.855 0.000) 2.855 1.063 ( 0.000 22.138 0.000) 22.138 1.211 ( 0.000 4.549 0.000) 4.549 1.269 ( 0.000 13.919 0.000) 13.919 1.424 ( -0.000 -3.422 -0.000) 3.422 1.445 ( -0.000 -3.169 -0.000) 3.169 1.630 ( -0.000 -0.992 -0.000) 0.992 1.679 ( 0.000 2.137 0.000) 2.137 1.872 ( 0.000 1.209 0.000) 1.209 2.232 ( 0.000 1.410 0.000) 1.410 2.327 ( 0.000 1.459 0.000) 1.459 2.375 ( 0.000 5.925 0.000) 5.925 2.599 ( -0.000 -8.052 -0.000) 8.052 2.933 ( -0.000 -0.342 -0.000) 0.342 3.401 ( 0.000 0.588 0.000) 0.588 3.410 ( 0.000 7.003 0.000) 7.003 3.519 ( 0.000 10.421 0.000) 10.421 3.557 ( 0.000 8.122 0.000) 8.122 3.754 ( -0.000 -10.056 -0.000) 10.056 3.973 ( -0.000 -3.428 -0.000) 3.428 4.220 ( -0.000 -1.331 -0.000) 1.331 4.650 ( -0.000 -4.401 -0.000) 4.401 4.792 ( -0.000 -3.423 -0.000) 3.423 4.848 ( 0.000 0.224 0.000) 0.224 5.012 ( -0.000 -3.957 -0.000) 3.957 5.427 ( -0.000 -0.245 -0.000) 0.245 5.468 ( 0.000 0.256 0.000) 0.256 5.697 ( -0.000 -0.626 -0.000) 0.626 ======================= Grid point 28 (20/231) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 12.969 0.000 -0.185) 12.971 0.412 ( 16.711 0.000 1.445) 16.773 0.595 ( 24.736 0.000 2.540) 24.866 0.922 ( 3.855 0.000 -0.018) 3.856 1.030 ( -2.898 -0.000 0.343) 2.919 1.034 ( -2.081 -0.000 7.270) 7.562 1.389 ( -6.818 -0.000 6.878) 9.685 1.574 ( -0.268 -0.000 -0.776) 0.821 1.608 ( -4.250 -0.000 -12.335) 13.047 1.661 ( -0.465 -0.000 0.043) 0.467 1.769 ( -8.541 -0.000 -5.962) 10.416 1.992 ( -1.525 -0.000 2.549) 2.970 2.080 ( -6.949 -0.000 0.449) 6.964 2.554 ( 3.069 0.000 -0.771) 3.164 2.580 ( 11.384 0.000 5.829) 12.789 2.844 ( -7.821 -0.000 -1.916) 8.052 3.047 ( 2.873 0.000 0.392) 2.899 3.324 ( 6.987 0.000 -0.274) 6.992 3.377 ( 5.668 0.000 5.528) 7.917 3.493 ( 5.137 0.000 5.893) 7.818 3.895 ( -2.719 -0.000 -4.241) 5.038 4.142 ( -0.203 -0.000 0.280) 0.346 4.161 ( -0.742 -0.000 -0.083) 0.747 4.175 ( -6.665 -0.000 -2.875) 7.258 4.787 ( 3.874 0.000 -1.092) 4.024 5.007 ( -4.973 -0.000 4.092) 6.440 5.182 ( 1.675 0.000 16.630) 16.714 5.421 ( -0.449 -0.000 -2.234) 2.279 5.575 ( 1.890 0.000 -14.205) 14.330 5.708 ( 0.059 0.000 -0.178) 0.188 ======================= Grid point 29 (21/231) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 12.140 0.312 -7.693) 14.376 0.509 ( 12.136 -5.762 2.159) 13.607 0.900 ( 4.337 -6.356 -0.904) 7.748 0.981 ( 9.140 -9.986 4.337) 14.215 1.065 ( -2.714 -4.046 -2.382) 5.423 1.144 ( 4.040 -10.426 2.025) 11.363 1.362 ( -3.166 -1.824 5.588) 6.677 1.532 ( -5.516 1.938 3.622) 6.877 1.589 ( -1.844 -1.185 -11.931) 12.130 1.634 ( -1.300 1.636 0.202) 2.099 1.788 ( -6.221 -4.242 -5.620) 9.396 2.027 ( -1.589 -4.952 1.907) 5.540 2.091 ( -5.705 -4.354 -0.421) 7.190 2.569 ( 8.519 1.569 2.063) 8.905 2.746 ( -3.495 3.366 2.118) 5.294 2.864 ( -3.119 -13.117 -1.290) 13.544 3.151 ( -1.122 -7.736 0.189) 7.819 3.355 ( 5.331 -0.810 1.930) 5.727 3.414 ( 2.396 -0.714 1.432) 2.881 3.615 ( 6.762 -5.326 2.546) 8.976 3.871 ( -3.653 11.250 -2.033) 12.002 3.895 ( -4.459 -1.341 -1.105) 4.786 4.123 ( -2.785 2.891 0.077) 4.015 4.378 ( -7.879 -8.939 -1.801) 12.051 4.808 ( 4.133 0.750 -1.243) 4.381 4.969 ( -4.014 1.259 1.823) 4.585 5.151 ( 2.012 4.217 11.135) 12.076 5.414 ( -0.418 0.382 -1.571) 1.670 5.554 ( 2.567 2.475 -7.076) 7.924 5.704 ( 0.033 0.410 -0.475) 0.628 ======================= Grid point 30 (22/231) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 6.713 -11.060 -7.059) 14.738 0.718 ( 5.091 -10.495 -1.243) 11.731 0.961 ( -0.431 -3.317 -0.650) 3.408 1.081 ( -4.460 -3.119 1.172) 5.567 1.219 ( 0.497 -5.856 -1.359) 6.032 1.345 ( 2.807 -5.434 2.569) 6.634 1.480 ( -1.197 -5.702 8.213) 10.070 1.525 ( 1.270 -8.131 -0.097) 8.230 1.596 ( 0.538 0.358 3.162) 3.227 1.646 ( 1.048 -4.480 -7.885) 9.129 1.795 ( -5.733 -1.213 -6.230) 8.553 2.138 ( -2.507 -7.417 0.840) 7.874 2.169 ( -0.764 -6.121 -0.198) 6.171 2.558 ( 5.568 4.072 1.368) 7.032 2.682 ( 1.021 2.745 1.584) 3.329 3.000 ( 0.549 -2.996 0.233) 3.055 3.271 ( -3.101 -5.937 -0.879) 6.755 3.394 ( -1.518 -2.169 -0.749) 2.751 3.439 ( 0.121 0.085 1.950) 1.955 3.621 ( -0.857 5.043 0.324) 5.125 3.772 ( 0.896 -1.639 -0.670) 1.984 3.871 ( -4.778 4.137 -0.939) 6.390 4.089 ( -2.085 -3.577 1.206) 4.312 4.430 ( -6.889 -2.523 -1.770) 7.547 4.778 ( 2.810 4.949 -1.020) 5.782 4.920 ( -1.904 2.231 -0.215) 2.941 5.065 ( 0.553 5.742 7.115) 9.160 5.402 ( -0.761 0.502 -0.818) 1.225 5.522 ( 1.562 2.122 -2.799) 3.844 5.692 ( -0.187 0.852 -0.633) 1.078 ======================= Grid point 31 (23/231) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 2.907 -12.624 -4.139) 13.600 0.924 ( 1.346 -9.385 -1.580) 9.612 1.026 ( -0.869 -3.939 -0.115) 4.036 1.136 ( -2.906 -5.182 2.254) 6.354 1.273 ( -1.468 -2.319 -0.654) 2.822 1.413 ( -1.387 -2.564 -0.001) 2.915 1.519 ( -4.820 3.618 1.378) 6.183 1.542 ( -2.528 -2.952 0.387) 3.906 1.659 ( 2.097 -1.000 0.180) 2.330 1.778 ( 2.465 -2.404 -0.051) 3.443 1.850 ( 1.682 -7.685 0.406) 7.878 2.252 ( -0.349 -5.505 -0.097) 5.517 2.302 ( 4.755 -6.450 -0.029) 8.014 2.494 ( 0.720 3.491 -1.049) 3.716 2.653 ( 4.376 2.472 1.966) 5.397 3.012 ( 3.545 1.791 0.569) 4.012 3.305 ( -5.286 0.116 -3.261) 6.212 3.387 ( -2.433 2.142 2.548) 4.123 3.439 ( -5.027 -3.780 -3.222) 7.067 3.589 ( -3.179 -2.450 2.658) 4.814 3.705 ( -8.303 7.925 -1.428) 11.566 3.809 ( -1.176 -1.574 -0.226) 1.977 4.199 ( 3.114 -5.949 0.989) 6.787 4.423 ( -4.424 -0.780 -1.111) 4.627 4.673 ( 0.882 6.769 -0.721) 6.864 4.851 ( -1.152 4.843 -0.897) 5.059 4.968 ( -0.605 4.150 4.213) 5.945 5.387 ( -1.043 0.512 -0.484) 1.258 5.494 ( 0.431 1.557 -0.941) 1.870 5.672 ( -0.480 1.076 -0.573) 1.310 ======================= Grid point 32 (24/231) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -0.077 -8.682 -1.301) 8.779 1.063 ( 1.046 -3.990 0.348) 4.139 1.097 ( -1.393 -5.659 -1.652) 6.057 1.237 ( -1.632 -6.576 1.525) 6.945 1.293 ( -3.735 -0.129 -1.305) 3.958 1.361 ( -6.786 3.759 -1.510) 7.903 1.505 ( 2.114 -2.381 2.138) 3.835 1.561 ( -0.747 -0.807 -4.432) 4.567 1.664 ( 1.301 2.132 1.177) 2.761 1.757 ( 7.108 5.861 6.989) 11.564 1.961 ( -1.932 -3.747 2.446) 4.874 2.301 ( -0.622 0.255 -4.233) 4.286 2.401 ( 0.972 -2.432 0.372) 2.645 2.515 ( 3.385 -1.807 -2.033) 4.342 2.642 ( 5.860 0.014 2.589) 6.406 3.008 ( 3.990 0.631 0.901) 4.139 3.250 ( -5.451 1.221 -3.427) 6.554 3.335 ( -3.682 1.141 2.377) 4.529 3.468 ( -5.700 0.525 -3.468) 6.692 3.554 ( -8.985 -0.823 -1.691) 9.180 3.643 ( -3.919 -4.818 3.265) 7.017 3.804 ( -2.270 0.742 -0.763) 2.507 4.309 ( 3.419 -3.623 0.199) 4.986 4.410 ( -0.658 1.081 -0.224) 1.285 4.564 ( -0.879 4.455 -0.222) 4.547 4.736 ( -2.568 5.708 -0.875) 6.320 4.911 ( 0.643 2.375 2.131) 3.255 5.375 ( -0.828 0.129 -0.188) 0.859 5.468 ( -0.368 1.390 -0.324) 1.474 5.651 ( -0.639 0.787 -0.399) 1.090 ======================= Grid point 33 (25/231) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -0.676 -1.810 -0.677) 2.047 1.096 ( 0.809 -1.869 0.986) 2.263 1.189 ( -3.421 1.745 -3.737) 5.359 1.236 ( -1.569 -4.440 -1.826) 5.051 1.289 ( -0.874 1.181 2.380) 2.797 1.343 ( 0.124 0.673 -1.404) 1.562 1.473 ( 4.358 3.388 1.813) 5.810 1.577 ( 4.692 1.829 3.820) 6.321 1.657 ( -0.377 -2.953 -1.934) 3.550 1.723 ( 1.728 0.890 4.906) 5.278 1.999 ( -3.318 -3.003 1.029) 4.592 2.228 ( -9.514 4.248 -5.692) 11.873 2.443 ( 2.436 7.815 -1.145) 8.265 2.488 ( 4.350 -4.636 0.368) 6.368 2.741 ( 4.041 -3.896 2.651) 6.208 3.042 ( 3.775 -1.989 2.266) 4.832 3.203 ( -4.423 1.538 -3.826) 6.047 3.326 ( -2.468 -2.345 2.013) 3.955 3.393 ( -2.580 1.399 -2.245) 3.695 3.615 ( -7.907 -7.808 -3.250) 11.578 3.699 ( -1.017 -2.124 3.526) 4.240 3.790 ( -3.757 -2.263 -0.976) 4.493 4.343 ( 3.128 4.024 -0.004) 5.096 4.388 ( 1.739 -0.647 -0.029) 1.855 4.510 ( -2.289 0.768 0.587) 2.485 4.633 ( -1.986 3.784 -1.112) 4.416 4.879 ( 1.008 1.869 1.089) 2.387 5.376 ( -0.257 -0.554 0.015) 0.611 5.438 ( -0.716 1.391 -0.192) 1.576 5.639 ( -0.503 0.127 -0.202) 0.557 ======================= Grid point 34 (26/231) ======================= q-point: ( 0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 1.147 7.605 -2.178) 7.993 1.142 ( 0.864 -1.691 -0.121) 1.902 1.162 ( 0.992 -2.819 0.448) 3.022 1.229 ( 6.753 4.013 3.886) 8.764 1.313 ( -0.610 -1.454 -1.659) 2.289 1.364 ( 1.139 -4.689 -0.030) 4.826 1.499 ( -0.500 0.069 2.440) 2.492 1.560 ( 1.586 0.415 1.587) 2.282 1.681 ( 1.717 0.985 -0.709) 2.102 1.738 ( -0.267 -0.972 -0.796) 1.284 2.037 ( -7.592 -2.853 2.804) 8.581 2.099 ( -9.985 0.345 -6.765) 12.066 2.288 ( 1.593 8.908 -0.730) 9.079 2.610 ( 3.277 -4.455 1.458) 5.719 2.792 ( 3.412 0.232 1.594) 3.773 3.106 ( -4.599 5.336 -1.676) 7.241 3.114 ( 1.263 -3.301 1.038) 3.683 3.387 ( 0.695 -3.819 -0.188) 3.886 3.431 ( 5.795 -4.509 1.256) 7.449 3.678 ( -0.786 -0.294 -2.088) 2.250 3.760 ( -8.032 -9.098 0.090) 12.137 3.844 ( -2.470 -4.867 0.129) 5.459 4.260 ( 5.018 6.672 0.116) 8.350 4.395 ( -0.364 1.424 0.418) 1.528 4.512 ( -0.655 -2.403 0.086) 2.492 4.579 ( -1.151 1.148 -0.440) 1.684 4.853 ( 0.454 1.246 0.206) 1.342 5.390 ( 0.363 -0.673 0.011) 0.765 5.414 ( -0.741 0.468 -0.070) 0.879 5.640 ( -0.140 -0.420 -0.025) 0.444 ======================= Grid point 35 (27/231) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.254 -2.017 -1.062) 2.293 1.158 ( 4.383 1.209 1.983) 4.960 1.203 ( 0.907 -0.734 -0.071) 1.169 1.283 ( 1.884 -3.292 2.157) 4.363 1.331 ( 0.140 -1.960 -0.935) 2.176 1.412 ( 1.406 4.719 -1.092) 5.044 1.479 ( 2.237 -3.727 1.371) 4.558 1.586 ( -1.188 -1.261 1.943) 2.604 1.659 ( 2.529 2.367 0.793) 3.553 1.730 ( -1.631 0.348 -4.998) 5.269 2.031 ( -10.789 -5.212 -0.402) 11.989 2.115 ( 0.104 -1.553 -0.712) 1.711 2.158 ( -1.207 4.683 -0.059) 4.836 2.645 ( -1.419 1.711 -0.252) 2.237 2.779 ( 4.897 4.036 1.929) 6.633 2.961 ( -2.682 6.486 -1.434) 7.164 3.219 ( 1.100 -7.044 0.852) 7.180 3.451 ( 1.705 -1.826 -0.315) 2.518 3.551 ( 3.694 -2.104 2.366) 4.865 3.693 ( 2.795 -3.618 -0.866) 4.653 3.863 ( -3.534 -4.172 -1.287) 5.617 3.957 ( -3.076 -9.200 0.234) 9.704 4.167 ( 5.848 6.041 0.283) 8.413 4.329 ( -3.232 4.399 0.271) 5.465 4.566 ( 1.051 -1.755 -0.851) 2.216 4.594 ( -0.503 -4.300 0.988) 4.441 4.843 ( 0.056 -0.034 -0.460) 0.465 5.390 ( 0.138 0.257 -0.094) 0.307 5.427 ( -0.076 -1.543 0.104) 1.549 5.650 ( 0.132 -0.557 0.075) 0.577 ======================= Grid point 36 (28/231) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.616 -5.097 -0.145) 5.136 1.151 ( 1.755 3.679 -0.288) 4.086 1.202 ( 0.387 -1.477 1.888) 2.428 1.270 ( 0.478 4.843 0.054) 4.867 1.319 ( -1.510 1.229 -1.893) 2.715 1.411 ( -0.415 -3.252 -0.015) 3.279 1.521 ( 1.577 5.874 -0.198) 6.085 1.598 ( 1.157 -3.565 0.402) 3.769 1.637 ( 0.615 1.231 2.440) 2.801 1.763 ( 1.887 -4.580 -2.714) 5.648 2.102 ( -1.190 -2.397 -2.267) 3.507 2.113 ( -1.157 -2.942 2.179) 3.839 2.127 ( -3.362 -0.928 0.047) 3.488 2.551 ( -1.269 6.785 -0.446) 6.917 2.689 ( 1.648 7.261 0.788) 7.487 2.871 ( -1.070 1.460 -0.387) 1.851 3.375 ( 1.701 -8.220 -0.110) 8.395 3.463 ( 0.817 1.311 -0.092) 1.548 3.544 ( -0.151 1.596 1.007) 1.893 3.827 ( 4.547 -5.698 0.573) 7.312 3.886 ( -1.605 -0.356 -0.612) 1.754 4.008 ( 3.337 4.930 -0.051) 5.954 4.187 ( -0.052 1.207 0.507) 1.311 4.232 ( -3.770 -4.516 -0.394) 5.896 4.612 ( 1.144 -2.624 0.215) 2.870 4.684 ( -0.169 -5.033 0.247) 5.042 4.858 ( 0.014 -1.542 -0.663) 1.678 5.393 ( 0.153 -0.495 -0.028) 0.519 5.454 ( 0.007 -1.280 0.090) 1.283 5.660 ( 0.131 -0.478 0.076) 0.501 ======================= Grid point 37 (29/231) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 11.229 0.000) 11.229 1.138 ( 0.000 5.211 0.000) 5.211 1.212 ( -0.000 -1.883 -0.000) 1.883 1.245 ( -0.000 -2.272 -0.000) 2.272 1.295 ( 0.000 2.182 0.000) 2.182 1.387 ( 0.000 6.382 0.000) 6.382 1.436 ( 0.000 0.543 0.000) 0.543 1.616 ( 0.000 0.708 0.000) 0.708 1.660 ( -0.000 -2.316 -0.000) 2.316 1.858 ( -0.000 -2.925 -0.000) 2.925 1.992 ( 0.000 11.870 0.000) 11.870 2.171 ( -0.000 -3.888 -0.000) 3.888 2.226 ( -0.000 -6.321 -0.000) 6.321 2.438 ( 0.000 2.984 0.000) 2.984 2.570 ( 0.000 5.543 0.000) 5.543 2.888 ( -0.000 -2.594 -0.000) 2.594 3.429 ( 0.000 1.810 0.000) 1.810 3.501 ( -0.000 -3.719 -0.000) 3.719 3.526 ( -0.000 -0.293 -0.000) 0.293 3.846 ( 0.000 3.741 0.000) 3.741 3.887 ( 0.000 3.628 0.000) 3.628 3.919 ( 0.000 4.222 0.000) 4.222 4.117 ( -0.000 -0.472 -0.000) 0.472 4.398 ( -0.000 -9.191 -0.000) 9.191 4.668 ( -0.000 -2.991 -0.000) 2.991 4.771 ( -0.000 -4.350 -0.000) 4.350 4.894 ( -0.000 -2.263 -0.000) 2.263 5.407 ( -0.000 -0.788 -0.000) 0.788 5.471 ( -0.000 -0.481 -0.000) 0.481 5.670 ( -0.000 -0.612 -0.000) 0.612 ======================= Grid point 42 (30/231) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 12.118 0.000 -1.158) 12.173 0.588 ( 14.063 0.000 0.958) 14.095 0.856 ( 20.126 0.000 3.631) 20.451 0.970 ( 3.208 0.000 -0.907) 3.334 1.001 ( -0.712 -0.000 1.406) 1.576 1.021 ( -0.184 -0.000 5.039) 5.043 1.311 ( -6.503 -0.000 1.930) 6.783 1.519 ( -9.242 -0.000 -10.245) 13.798 1.558 ( -3.321 -0.000 -3.190) 4.605 1.652 ( -0.980 -0.000 0.025) 0.981 1.700 ( -2.979 -0.000 -0.544) 3.028 1.990 ( 0.062 0.000 1.069) 1.071 1.991 ( -8.639 -0.000 0.531) 8.656 2.593 ( 3.630 0.000 -0.741) 3.705 2.682 ( 4.356 0.000 7.088) 8.319 2.772 ( -2.725 -0.000 -3.773) 4.654 3.082 ( 3.180 0.000 0.128) 3.183 3.415 ( 8.865 0.000 -0.076) 8.866 3.429 ( 3.692 0.000 0.675) 3.753 3.569 ( 7.198 0.000 7.590) 10.460 3.862 ( -2.640 -0.000 -1.634) 3.105 4.089 ( -8.154 -0.000 -2.532) 8.538 4.132 ( -1.767 -0.000 -0.237) 1.783 4.156 ( -0.033 -0.000 0.449) 0.450 4.829 ( 3.394 0.000 -0.972) 3.530 4.954 ( -4.404 -0.000 1.225) 4.571 5.201 ( 1.125 0.000 10.962) 11.019 5.416 ( -0.251 -0.000 -1.786) 1.804 5.592 ( 1.606 0.000 -8.037) 8.196 5.709 ( 0.216 0.000 -0.284) 0.357 ======================= Grid point 43 (31/231) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 11.708 1.125 -8.687) 14.622 0.657 ( 13.189 -1.212 3.307) 13.651 0.924 ( 1.189 0.124 1.640) 2.029 1.016 ( -1.381 -2.608 1.432) 3.280 1.095 ( 4.864 -8.017 -0.549) 9.393 1.194 ( 3.537 -11.507 3.499) 12.536 1.357 ( 2.722 -7.853 3.021) 8.843 1.460 ( -6.813 1.095 0.164) 6.903 1.535 ( -6.148 -3.069 -11.564) 13.452 1.620 ( -1.156 1.895 1.972) 2.969 1.731 ( -3.488 -2.582 -2.320) 4.921 2.016 ( -2.782 -5.160 0.072) 5.863 2.032 ( -2.995 -6.180 0.335) 6.876 2.650 ( 4.839 1.241 1.873) 5.336 2.703 ( -3.101 -0.379 1.948) 3.682 2.841 ( -1.080 -9.616 -1.367) 9.773 3.152 ( 0.902 -5.084 -0.096) 5.164 3.405 ( 3.259 2.381 -0.123) 4.038 3.473 ( 7.662 0.284 2.952) 8.216 3.689 ( 5.878 -4.512 2.432) 7.799 3.822 ( -5.188 11.049 -0.650) 12.224 3.856 ( -2.404 -0.123 -1.410) 2.789 4.094 ( -2.266 4.040 0.354) 4.646 4.299 ( -6.289 -7.722 -1.190) 10.029 4.849 ( 2.738 0.711 -0.442) 2.863 4.928 ( -2.724 0.386 -0.385) 2.777 5.166 ( 0.365 4.349 8.341) 9.414 5.410 ( -0.280 0.531 -1.154) 1.301 5.576 ( 1.600 2.306 -4.802) 5.562 5.705 ( 0.155 0.556 -0.468) 0.743 ======================= Grid point 44 (32/231) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 10.605 -7.256 -8.253) 15.272 0.791 ( 7.434 -6.397 0.407) 9.815 0.953 ( -1.249 -3.144 1.519) 3.709 1.049 ( -0.877 -2.557 1.887) 3.297 1.213 ( -1.018 -3.907 -1.380) 4.266 1.365 ( -0.611 -2.121 1.148) 2.488 1.414 ( -6.695 -5.992 5.890) 10.743 1.557 ( 1.256 0.290 0.024) 1.289 1.626 ( 4.279 -6.582 -0.360) 7.859 1.639 ( -3.082 -11.579 -5.643) 13.244 1.723 ( -5.138 -1.467 -2.842) 6.053 2.133 ( 1.291 -7.249 1.445) 7.503 2.171 ( 1.038 -9.255 -0.648) 9.335 2.617 ( 4.585 5.826 1.754) 7.618 2.679 ( -1.511 0.158 1.394) 2.062 2.994 ( -1.422 -6.363 -1.043) 6.603 3.245 ( -1.542 -4.167 -0.738) 4.504 3.389 ( 0.589 0.470 -0.279) 0.804 3.454 ( 2.325 5.647 1.439) 6.274 3.610 ( -1.093 5.821 0.314) 5.931 3.762 ( -3.251 0.028 0.303) 3.265 3.817 ( -3.966 4.747 -1.399) 6.342 4.090 ( 1.994 -5.936 1.542) 6.449 4.358 ( -5.766 -3.310 -1.376) 6.789 4.803 ( 1.412 5.489 -0.200) 5.671 4.906 ( -0.136 1.637 -1.690) 2.356 5.060 ( -1.498 6.271 5.972) 8.788 5.394 ( -0.611 0.790 -0.658) 1.196 5.536 ( 0.976 2.539 -2.043) 3.402 5.690 ( -0.145 1.064 -0.559) 1.211 ======================= Grid point 45 (33/231) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 5.794 -8.957 -4.062) 11.415 0.951 ( 3.342 -7.201 -1.314) 8.047 1.013 ( -1.449 -3.929 1.533) 4.460 1.118 ( -0.309 -5.248 1.689) 5.522 1.253 ( -1.955 -1.945 -0.774) 2.864 1.376 ( -5.461 0.772 -1.137) 5.632 1.424 ( -8.199 -2.633 2.417) 8.944 1.553 ( 2.033 -0.044 -1.400) 2.469 1.677 ( 1.253 -0.358 0.274) 1.331 1.808 ( 0.976 -5.287 -0.328) 5.386 1.854 ( 0.165 -9.466 1.233) 9.547 2.263 ( 2.226 -4.614 1.554) 5.353 2.363 ( 5.419 -7.527 -0.438) 9.285 2.502 ( 0.871 5.617 -1.986) 6.021 2.688 ( 1.489 -0.339 2.585) 3.002 3.052 ( 3.172 0.128 -0.317) 3.191 3.241 ( -5.238 1.770 -2.435) 6.042 3.374 ( -0.150 3.331 1.926) 3.850 3.399 ( -1.790 -1.541 -2.438) 3.395 3.545 ( -4.661 -0.830 1.460) 4.955 3.605 ( -8.799 7.957 -0.329) 11.868 3.800 ( -0.540 -0.665 -0.298) 0.907 4.237 ( 3.223 -6.419 0.745) 7.222 4.379 ( -3.273 -2.267 -0.787) 4.058 4.683 ( 0.769 7.579 -0.243) 7.622 4.837 ( -1.232 5.983 -1.170) 6.220 4.958 ( -1.060 3.068 3.190) 4.551 5.377 ( -0.797 0.594 -0.411) 1.075 5.497 ( 0.202 2.000 -0.614) 2.102 5.666 ( -0.435 1.234 -0.462) 1.387 ======================= Grid point 46 (34/231) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 1.168 -6.653 -0.430) 6.768 1.070 ( 0.161 -2.705 1.490) 3.092 1.092 ( 0.537 -6.673 -2.529) 7.156 1.214 ( -4.467 -2.850 -2.292) 5.773 1.247 ( -1.973 -0.541 1.139) 2.341 1.298 ( -3.984 -0.234 -0.261) 3.999 1.513 ( -1.014 -7.010 1.515) 7.244 1.556 ( 0.813 0.398 -2.513) 2.672 1.681 ( 1.518 1.308 0.721) 2.130 1.850 ( 6.771 3.352 3.150) 8.186 1.948 ( 1.025 -0.061 5.432) 5.528 2.268 ( -5.031 4.727 -5.863) 9.058 2.393 ( -1.072 -3.510 0.254) 3.679 2.572 ( 5.370 -1.653 -1.415) 5.794 2.703 ( 4.565 -1.044 2.810) 5.461 3.053 ( 3.869 1.064 0.323) 4.025 3.189 ( -4.871 0.261 -3.012) 5.733 3.297 ( -3.103 2.136 1.987) 4.259 3.409 ( -4.075 1.249 -2.005) 4.710 3.464 ( -6.503 -1.691 -1.599) 6.907 3.601 ( -3.550 -5.883 2.497) 7.311 3.788 ( -0.681 1.515 -0.631) 1.777 4.340 ( 2.110 -3.272 0.074) 3.894 4.404 ( -0.285 -1.023 -0.133) 1.070 4.555 ( -0.836 5.759 0.141) 5.822 4.708 ( -2.116 5.807 -0.738) 6.224 4.920 ( 0.630 1.792 1.277) 2.288 5.367 ( -0.559 -0.061 -0.164) 0.585 5.463 ( -0.353 1.696 -0.168) 1.741 5.644 ( -0.487 0.811 -0.281) 0.987 ======================= Grid point 47 (35/231) ======================= q-point: ( 0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.669 -2.582 -0.245) 2.679 1.105 ( 0.526 -2.112 1.077) 2.429 1.153 ( -2.281 2.518 -2.167) 4.030 1.224 ( -0.551 -6.619 -2.422) 7.070 1.276 ( -1.236 -0.703 2.453) 2.835 1.342 ( -0.125 -3.262 -1.217) 3.484 1.523 ( 3.096 3.124 0.425) 4.418 1.644 ( 4.918 3.948 3.294) 7.115 1.651 ( 0.349 -6.359 -1.803) 6.618 1.768 ( 7.199 7.217 6.485) 12.082 1.966 ( -2.444 -2.649 0.764) 3.685 2.079 ( -14.810 7.280 -7.320) 18.053 2.488 ( 4.159 6.464 0.281) 7.692 2.523 ( 1.646 -3.879 -0.260) 4.221 2.778 ( 2.337 -2.663 1.907) 4.024 3.074 ( 1.733 -1.528 1.474) 2.741 3.153 ( -3.707 1.846 -2.874) 5.041 3.305 ( -1.407 -4.154 0.973) 4.493 3.395 ( 2.735 -2.060 -0.513) 3.462 3.526 ( -7.213 -7.544 -1.975) 10.623 3.695 ( -0.108 -4.265 2.595) 4.994 3.753 ( -2.526 0.062 -1.455) 2.916 4.371 ( 1.726 2.456 -0.081) 3.003 4.407 ( 1.629 -0.013 -0.016) 1.629 4.483 ( -2.307 0.711 0.482) 2.461 4.614 ( -1.099 3.400 -0.660) 3.633 4.889 ( 0.690 2.009 0.537) 2.191 5.374 ( -0.094 -0.859 -0.008) 0.865 5.431 ( -0.508 1.495 -0.092) 1.582 5.634 ( -0.289 0.014 -0.109) 0.309 ======================= Grid point 48 (36/231) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -0.032 6.661 -0.789) 6.707 1.155 ( 1.246 -3.095 -0.302) 3.350 1.166 ( -0.436 -3.528 0.603) 3.606 1.281 ( 1.536 0.289 2.067) 2.592 1.309 ( -0.107 -1.250 -1.948) 2.317 1.393 ( 2.578 -4.036 -0.354) 4.802 1.500 ( 0.356 1.860 1.860) 2.654 1.595 ( 3.681 3.236 3.123) 5.812 1.707 ( 3.683 2.651 0.689) 4.590 1.735 ( -0.297 0.342 -3.414) 3.444 1.882 ( -13.253 -2.099 -1.013) 13.456 2.056 ( -0.919 -4.418 -1.051) 4.634 2.312 ( 1.458 10.636 -0.050) 10.735 2.629 ( 0.463 -3.323 0.492) 3.391 2.822 ( 1.514 -1.018 0.635) 1.932 3.066 ( -1.962 5.618 -0.972) 6.030 3.126 ( 0.573 -3.549 0.696) 3.662 3.396 ( 0.523 -4.795 -0.142) 4.826 3.498 ( 4.817 -5.303 1.418) 7.303 3.652 ( -3.731 -9.056 -3.311) 10.339 3.697 ( -1.947 -0.395 1.762) 2.655 3.822 ( -1.129 -6.010 -0.043) 6.116 4.304 ( 2.361 5.328 -0.031) 5.828 4.388 ( -0.659 2.864 0.284) 2.953 4.507 ( -0.191 -3.606 -0.044) 3.612 4.568 ( -0.552 1.035 -0.131) 1.181 4.857 ( 0.190 1.497 0.057) 1.510 5.395 ( 0.472 -1.082 -0.006) 1.181 5.406 ( -0.624 0.655 -0.018) 0.905 5.639 ( -0.048 -0.565 -0.005) 0.567 ======================= Grid point 49 (37/231) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -0.000 -1.464 -0.000) 1.464 1.191 ( 0.000 0.080 0.000) 0.080 1.208 ( -0.000 -0.177 -0.000) 0.177 1.287 ( -0.000 -0.213 -0.000) 0.213 1.334 ( -0.000 -3.770 -0.000) 3.770 1.416 ( 0.000 6.608 0.000) 6.608 1.505 ( -0.000 -6.025 -0.000) 6.025 1.579 ( 0.000 0.364 0.000) 0.364 1.687 ( 0.000 2.819 0.000) 2.819 1.705 ( -0.000 -1.464 -0.000) 1.464 1.959 ( -0.000 -7.201 -0.000) 7.201 2.115 ( -0.000 -1.827 -0.000) 1.827 2.154 ( 0.000 5.919 0.000) 5.919 2.635 ( 0.000 2.467 0.000) 2.467 2.809 ( 0.000 3.866 0.000) 3.866 2.944 ( 0.000 6.135 0.000) 6.135 3.226 ( -0.000 -7.338 -0.000) 7.338 3.461 ( -0.000 -1.872 -0.000) 1.872 3.570 ( -0.000 -0.009 -0.000) 0.009 3.722 ( -0.000 -5.276 -0.000) 5.276 3.829 ( -0.000 -6.946 -0.000) 6.946 3.941 ( -0.000 -8.440 -0.000) 8.440 4.209 ( 0.000 5.443 0.000) 5.443 4.303 ( 0.000 5.627 0.000) 5.627 4.573 ( -0.000 -1.596 -0.000) 1.596 4.590 ( -0.000 -5.007 -0.000) 5.007 4.843 ( 0.000 0.016 0.000) 0.016 5.391 ( 0.000 0.264 0.000) 0.264 5.427 ( -0.000 -1.648 -0.000) 1.648 5.650 ( -0.000 -0.618 -0.000) 0.618 ======================= Grid point 56 (38/231) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 10.144 0.000 -2.824) 10.530 0.728 ( 10.181 0.000 0.270) 10.184 0.959 ( -2.060 -0.000 0.277) 2.079 0.985 ( 0.204 0.000 8.186) 8.188 1.052 ( 6.558 0.000 0.461) 6.574 1.065 ( 7.519 0.000 2.475) 7.916 1.268 ( -0.312 -0.000 -8.861) 8.867 1.428 ( -3.781 -0.000 -2.567) 4.570 1.512 ( -4.599 -0.000 0.237) 4.605 1.639 ( -1.314 -0.000 0.016) 1.314 1.681 ( -0.889 -0.000 -0.536) 1.038 1.889 ( -8.977 -0.000 0.534) 8.993 1.981 ( -1.779 -0.000 -0.860) 1.976 2.634 ( 3.434 0.000 -0.553) 3.478 2.662 ( -4.536 -0.000 2.802) 5.332 2.802 ( 4.393 0.000 -0.290) 4.402 3.116 ( 2.653 0.000 -0.155) 2.658 3.471 ( 4.006 0.000 -0.408) 4.027 3.521 ( 9.354 0.000 0.163) 9.356 3.648 ( 5.919 0.000 6.589) 8.858 3.838 ( -1.525 -0.000 0.060) 1.526 3.992 ( -8.571 -0.000 -2.687) 8.983 4.104 ( -3.179 -0.000 -0.456) 3.212 4.158 ( 0.366 0.000 0.592) 0.696 4.855 ( 0.612 0.000 0.410) 0.737 4.915 ( -1.750 -0.000 -1.219) 2.133 5.214 ( 0.772 0.000 7.241) 7.282 5.414 ( -0.084 -0.000 -1.080) 1.084 5.606 ( 1.118 0.000 -4.804) 4.932 5.712 ( 0.347 0.000 -0.301) 0.460 ======================= Grid point 57 (39/231) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 9.482 -0.246 -9.085) 13.134 0.798 ( 10.878 -0.222 2.794) 11.234 0.929 ( -0.031 1.466 5.414) 5.609 1.025 ( 2.890 -2.826 2.189) 4.597 1.109 ( -1.694 -5.054 -0.642) 5.369 1.225 ( 2.461 -9.993 2.757) 10.654 1.367 ( -6.062 -9.557 -10.619) 15.519 1.382 ( -4.889 3.055 2.617) 6.331 1.512 ( 4.732 -4.265 -1.856) 6.635 1.610 ( -0.648 1.509 2.652) 3.120 1.698 ( -2.575 -0.679 -0.932) 2.821 1.964 ( -4.302 -10.815 -0.906) 11.674 2.019 ( -1.056 -5.628 -0.131) 5.728 2.642 ( -3.458 -0.592 2.505) 4.311 2.720 ( 3.392 -1.781 -0.182) 3.835 2.835 ( -0.088 -4.768 -0.555) 4.801 3.165 ( 1.300 -3.562 -0.224) 3.798 3.445 ( 4.242 3.614 -0.262) 5.579 3.567 ( 8.000 1.366 2.665) 8.542 3.743 ( 2.549 -3.106 1.601) 4.325 3.757 ( -5.340 10.424 -0.138) 11.713 3.834 ( -1.408 1.854 -1.253) 2.644 4.076 ( -0.697 2.948 0.711) 3.112 4.232 ( -5.399 -6.335 -1.013) 8.385 4.855 ( -1.584 0.537 0.959) 1.928 4.922 ( 1.622 -0.556 -2.283) 2.855 5.167 ( -0.401 5.288 5.695) 7.782 5.407 ( -0.168 0.699 -0.677) 0.988 5.589 ( 0.914 2.249 -2.952) 3.822 5.707 ( 0.222 0.727 -0.371) 0.846 ======================= Grid point 58 (40/231) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 9.593 -6.115 -8.972) 14.488 0.883 ( 8.408 -3.286 2.271) 9.308 0.938 ( -0.888 -2.334 3.846) 4.585 1.057 ( 1.359 -1.450 1.648) 2.582 1.205 ( -0.002 -3.213 -0.503) 3.252 1.317 ( -6.462 -1.948 4.213) 7.957 1.356 ( -4.573 -1.687 0.098) 4.875 1.539 ( -6.054 -9.746 -11.588) 16.307 1.595 ( -0.820 -5.373 4.480) 7.043 1.666 ( 2.240 -4.114 -0.709) 4.738 1.699 ( 0.115 -4.510 0.748) 4.573 2.158 ( 2.447 -8.424 1.236) 8.859 2.188 ( 1.715 -12.777 -0.837) 12.918 2.650 ( -1.414 -1.224 3.900) 4.325 2.665 ( 1.798 6.895 -1.401) 7.262 2.974 ( -1.718 -8.012 -1.387) 8.311 3.235 ( -0.233 -2.501 -0.374) 2.540 3.409 ( 2.872 2.497 0.374) 3.824 3.485 ( 2.699 9.165 0.159) 9.556 3.597 ( -1.281 5.497 0.390) 5.658 3.700 ( -6.565 6.472 0.419) 9.228 3.788 ( -1.443 1.006 -0.850) 1.953 4.127 ( 4.090 -6.588 1.426) 7.884 4.296 ( -5.131 -4.314 -1.189) 6.809 4.808 ( -0.341 4.344 0.282) 4.367 4.920 ( 2.415 2.555 -2.693) 4.429 5.037 ( -2.785 6.899 4.750) 8.827 5.388 ( -0.398 1.019 -0.416) 1.170 5.544 ( 0.504 2.765 -1.202) 3.056 5.689 ( -0.079 1.287 -0.375) 1.343 ======================= Grid point 59 (41/231) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 5.913 -5.720 -4.178) 9.227 0.993 ( 1.204 -4.280 1.053) 4.569 1.003 ( 2.782 -4.693 2.454) 5.982 1.118 ( -0.933 -4.489 -0.327) 4.596 1.230 ( -1.862 -0.705 -0.833) 2.159 1.286 ( -8.159 2.049 -0.334) 8.419 1.368 ( -2.611 -5.903 1.506) 6.628 1.575 ( 1.698 0.501 -1.079) 2.073 1.692 ( 1.576 -1.125 -0.433) 1.985 1.781 ( -4.054 -8.050 0.181) 9.015 1.873 ( 1.939 -11.271 0.745) 11.461 2.296 ( 2.910 -3.865 2.013) 5.240 2.410 ( 2.339 -2.913 -0.403) 3.758 2.518 ( 2.155 2.991 -2.408) 4.403 2.689 ( -0.988 -2.777 2.393) 3.797 3.076 ( 0.932 -3.342 -1.341) 3.720 3.200 ( -1.366 4.652 -0.463) 4.870 3.375 ( 0.348 3.672 1.504) 3.983 3.405 ( 2.674 3.640 -2.047) 4.958 3.483 ( -5.949 2.088 -1.005) 6.385 3.517 ( -6.393 4.627 1.859) 8.107 3.796 ( -0.198 -0.607 -0.184) 0.664 4.269 ( 2.346 -5.689 0.483) 6.173 4.349 ( -2.073 -3.849 -0.480) 4.398 4.690 ( 0.447 7.967 -0.003) 7.980 4.824 ( -0.844 7.678 -0.848) 7.771 4.948 ( -0.754 1.524 1.730) 2.425 5.369 ( -0.424 0.660 -0.239) 0.820 5.499 ( 0.066 2.280 -0.287) 2.299 5.662 ( -0.258 1.366 -0.257) 1.414 ======================= Grid point 60 (42/231) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 1.223 -4.235 -0.152) 4.411 1.073 ( 0.463 -2.673 1.724) 3.214 1.100 ( 0.771 -5.498 -1.132) 5.666 1.152 ( -4.257 -1.177 -2.621) 5.136 1.248 ( 0.775 -2.404 1.934) 3.182 1.265 ( -1.856 -2.431 -0.733) 3.145 1.499 ( -0.919 -8.765 0.093) 8.813 1.567 ( 0.695 1.040 -0.378) 1.307 1.696 ( 0.800 1.180 0.182) 1.437 1.876 ( -0.286 -4.432 -0.165) 4.444 2.009 ( 6.397 2.495 5.731) 8.943 2.197 ( -5.667 13.129 -4.719) 15.059 2.386 ( -0.301 -5.427 0.083) 5.436 2.618 ( 2.285 -0.621 -0.611) 2.445 2.741 ( 1.811 -2.849 1.395) 3.653 3.092 ( 2.656 2.629 -0.355) 3.754 3.143 ( -2.852 -0.605 -0.861) 3.040 3.268 ( -1.806 2.858 0.739) 3.460 3.382 ( -0.778 -0.484 -0.492) 1.040 3.410 ( -2.671 -0.684 -0.835) 2.880 3.570 ( -1.570 -6.626 0.946) 6.874 3.784 ( -0.058 1.782 -0.224) 1.797 4.357 ( 0.729 -3.088 0.018) 3.173 4.403 ( 0.010 -2.159 -0.040) 2.159 4.546 ( -0.513 6.834 0.105) 6.854 4.691 ( -0.751 5.634 -0.298) 5.692 4.925 ( 0.260 1.415 0.424) 1.500 5.363 ( -0.197 -0.168 -0.067) 0.267 5.460 ( -0.144 1.887 -0.048) 1.893 5.640 ( -0.183 0.820 -0.102) 0.846 ======================= Grid point 61 (43/231) ======================= q-point: ( 0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.000 -2.783 -0.000) 2.783 1.108 ( -0.000 -2.155 -0.000) 2.155 1.140 ( 0.000 1.983 0.000) 1.983 1.221 ( -0.000 -6.668 -0.000) 6.668 1.268 ( -0.000 -1.056 -0.000) 1.056 1.341 ( -0.000 -3.979 -0.000) 3.979 1.540 ( 0.000 2.072 0.000) 2.072 1.646 ( -0.000 -4.030 -0.000) 4.030 1.679 ( -0.000 -1.790 -0.000) 1.790 1.894 ( 0.000 11.202 0.000) 11.202 1.902 ( 0.000 11.862 0.000) 11.862 1.961 ( -0.000 -4.911 -0.000) 4.911 2.519 ( 0.000 10.082 0.000) 10.082 2.526 ( -0.000 -7.758 -0.000) 7.758 2.792 ( -0.000 -2.080 -0.000) 2.080 3.083 ( -0.000 -1.197 -0.000) 1.197 3.130 ( 0.000 1.878 0.000) 1.878 3.297 ( -0.000 -5.103 -0.000) 5.103 3.433 ( -0.000 -3.294 -0.000) 3.294 3.464 ( -0.000 -7.348 -0.000) 7.348 3.695 ( -0.000 -7.101 -0.000) 7.101 3.737 ( 0.000 2.912 0.000) 2.912 4.381 ( 0.000 1.685 0.000) 1.685 4.419 ( 0.000 0.539 0.000) 0.539 4.466 ( 0.000 0.454 0.000) 0.454 4.608 ( 0.000 3.348 0.000) 3.348 4.893 ( 0.000 2.064 0.000) 2.064 5.373 ( -0.000 -0.994 -0.000) 0.994 5.428 ( 0.000 1.557 0.000) 1.557 5.632 ( -0.000 -0.030 -0.000) 0.030 ======================= Grid point 71 (44/231) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 5.361 0.000 -4.931) 7.284 0.816 ( 5.178 0.000 -0.475) 5.200 0.944 ( -0.446 -0.000 0.929) 1.031 0.957 ( -3.051 -0.000 8.747) 9.264 1.128 ( 6.353 0.000 0.066) 6.353 1.130 ( 5.143 0.000 1.032) 5.245 1.240 ( -4.599 -0.000 -11.183) 12.091 1.428 ( -4.076 -0.000 3.355) 5.279 1.505 ( 8.489 0.000 0.500) 8.503 1.624 ( -1.153 -0.000 0.043) 1.154 1.678 ( 0.619 0.000 0.618) 0.875 1.794 ( -7.525 -0.000 0.415) 7.537 1.945 ( -4.560 -0.000 -2.363) 5.136 2.616 ( -3.216 -0.000 1.340) 3.484 2.668 ( 2.469 0.000 -0.318) 2.490 2.838 ( 2.018 0.000 0.194) 2.027 3.141 ( 1.676 0.000 -0.247) 1.694 3.523 ( 5.036 0.000 -0.469) 5.058 3.621 ( 7.955 0.000 0.288) 7.960 3.701 ( 3.230 0.000 4.756) 5.749 3.823 ( -2.034 -0.000 1.178) 2.351 3.902 ( -6.062 -0.000 -2.947) 6.740 4.063 ( -3.699 -0.000 -0.445) 3.726 4.163 ( 0.342 0.000 0.450) 0.565 4.843 ( -1.959 -0.000 0.907) 2.159 4.915 ( 0.966 0.000 -1.799) 2.042 5.223 ( 0.496 0.000 4.169) 4.198 5.414 ( -0.004 -0.000 -0.496) 0.496 5.615 ( 0.624 0.000 -2.614) 2.688 5.716 ( 0.324 0.000 -0.229) 0.397 ======================= Grid point 72 (45/231) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 5.671 -1.947 -7.075) 9.274 0.885 ( 3.744 -1.117 0.942) 4.019 0.946 ( 2.812 0.483 6.582) 7.174 1.059 ( 1.351 -11.081 4.993) 12.229 1.093 ( 1.137 1.516 -0.432) 1.944 1.243 ( -1.255 -3.738 -5.140) 6.478 1.276 ( -5.376 -6.804 -5.273) 10.149 1.339 ( -2.972 3.299 1.752) 4.773 1.579 ( 4.745 -3.042 -1.109) 5.744 1.608 ( 0.099 0.251 2.806) 2.819 1.673 ( -1.584 0.211 0.156) 1.605 1.929 ( -1.526 -13.855 -0.656) 13.954 2.002 ( -1.912 -8.309 -0.684) 8.553 2.609 ( -2.148 -0.923 1.272) 2.661 2.749 ( 1.611 -3.401 -0.273) 3.773 2.835 ( 0.069 -1.432 -0.073) 1.435 3.178 ( 0.799 -2.901 -0.182) 3.015 3.504 ( 6.000 4.326 -0.051) 7.397 3.639 ( 2.128 0.707 1.868) 2.918 3.688 ( -3.216 9.736 -0.403) 10.261 3.763 ( -0.283 0.692 0.705) 1.027 3.825 ( -0.072 3.692 -0.724) 3.763 4.080 ( 1.366 -1.258 0.943) 2.083 4.176 ( -4.405 -3.886 -0.932) 5.947 4.835 ( -1.485 0.204 0.481) 1.574 4.943 ( 1.552 -1.399 -1.484) 2.563 5.162 ( -0.456 6.478 2.992) 7.150 5.405 ( -0.082 0.834 -0.296) 0.889 5.596 ( 0.408 2.244 -1.406) 2.679 5.710 ( 0.161 0.864 -0.204) 0.902 ======================= Grid point 73 (46/231) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 3.186 -6.443 -4.522) 8.492 0.930 ( 0.551 -2.380 1.395) 2.813 0.986 ( 7.130 -1.879 2.795) 7.886 1.062 ( -1.077 -0.014 0.666) 1.267 1.212 ( 0.719 -1.179 0.269) 1.407 1.252 ( -3.973 -0.949 1.695) 4.423 1.307 ( -3.001 0.048 -0.555) 3.053 1.467 ( -3.978 -17.819 -4.824) 18.884 1.599 ( 0.275 0.418 1.154) 1.258 1.683 ( 0.962 -2.361 0.816) 2.677 1.704 ( 0.158 -7.225 -0.332) 7.234 2.180 ( 1.122 -9.527 0.547) 9.609 2.204 ( 0.865 -15.301 -0.445) 15.331 2.629 ( -1.223 -2.315 0.907) 2.771 2.685 ( 0.947 8.223 0.055) 8.277 2.959 ( -0.713 -8.204 -0.602) 8.257 3.235 ( 0.073 -1.925 -0.117) 1.930 3.451 ( 4.143 4.237 0.982) 6.007 3.497 ( -1.400 7.117 -1.245) 7.360 3.592 ( 1.146 8.081 0.592) 8.184 3.633 ( -4.708 9.147 0.133) 10.289 3.778 ( -0.474 -0.065 -0.245) 0.538 4.177 ( 4.205 -5.687 1.125) 7.162 4.241 ( -4.371 -5.788 -1.032) 7.326 4.803 ( -0.327 3.369 0.128) 3.387 4.951 ( 2.721 2.169 -2.513) 4.292 5.004 ( -2.734 8.513 3.142) 9.477 5.385 ( -0.139 1.139 -0.142) 1.156 5.547 ( 0.152 2.865 -0.393) 2.896 5.688 ( -0.023 1.430 -0.131) 1.436 ======================= Grid point 74 (47/231) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -0.000 -5.108 -0.000) 5.108 0.990 ( -0.000 -4.320 -0.000) 4.320 1.064 ( -0.000 -1.514 -0.000) 1.514 1.080 ( -0.000 -3.888 -0.000) 3.888 1.223 ( 0.000 0.268 0.000) 0.268 1.230 ( -0.000 -1.193 -0.000) 1.193 1.354 ( -0.000 -5.689 -0.000) 5.689 1.585 ( 0.000 0.796 0.000) 0.796 1.708 ( -0.000 -0.297 -0.000) 0.297 1.748 ( -0.000 -10.598 -0.000) 10.598 1.885 ( -0.000 -11.976 -0.000) 11.976 2.315 ( -0.000 -4.389 -0.000) 4.389 2.420 ( 0.000 2.120 0.000) 2.120 2.535 ( -0.000 -0.597 -0.000) 0.597 2.680 ( -0.000 -3.575 -0.000) 3.575 3.078 ( -0.000 -4.786 -0.000) 4.786 3.198 ( 0.000 5.474 0.000) 5.474 3.384 ( 0.000 7.216 0.000) 7.216 3.426 ( 0.000 6.154 0.000) 6.154 3.453 ( 0.000 6.593 0.000) 6.593 3.462 ( -0.000 -3.502 -0.000) 3.502 3.795 ( -0.000 -0.679 -0.000) 0.679 4.285 ( -0.000 -4.773 -0.000) 4.773 4.335 ( -0.000 -5.025 -0.000) 5.025 4.693 ( 0.000 8.060 0.000) 8.060 4.819 ( 0.000 8.536 0.000) 8.536 4.944 ( 0.000 0.779 0.000) 0.779 5.367 ( 0.000 0.686 0.000) 0.686 5.499 ( 0.000 2.375 0.000) 2.375 5.661 ( 0.000 1.418 0.000) 1.418 ======================= Grid point 86 (48/231) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 0.371 0.000 -2.905) 2.928 0.848 ( 1.095 0.000 -0.377) 1.158 0.947 ( 0.458 0.000 0.546) 0.713 0.947 ( 0.413 0.000 4.405) 4.424 1.180 ( 0.457 0.000 2.927) 2.962 1.184 ( 2.874 0.000 -0.033) 2.874 1.197 ( 0.734 0.000 -7.117) 7.155 1.368 ( -4.360 -0.000 0.990) 4.471 1.593 ( 3.739 0.000 -0.001) 3.739 1.615 ( -0.445 -0.000 0.045) 0.448 1.710 ( 4.701 0.000 2.270) 5.220 1.729 ( -3.217 -0.000 0.152) 3.221 1.883 ( -5.136 -0.000 -2.315) 5.634 2.592 ( -1.128 -0.000 0.443) 1.211 2.687 ( 0.901 0.000 -0.101) 0.906 2.851 ( 0.434 0.000 0.065) 0.439 3.154 ( 0.564 0.000 -0.115) 0.575 3.576 ( 3.389 0.000 -0.252) 3.398 3.690 ( 3.495 0.000 0.164) 3.499 3.730 ( 2.247 0.000 2.796) 3.587 3.775 ( -5.099 -0.000 -0.823) 5.165 3.871 ( -0.366 -0.000 -0.796) 0.876 4.028 ( -1.978 -0.000 -0.211) 1.989 4.166 ( 0.135 0.000 0.166) 0.214 4.825 ( -0.853 -0.000 0.288) 0.900 4.924 ( 0.451 0.000 -0.656) 0.796 5.228 ( 0.177 0.000 1.363) 1.374 5.414 ( 0.007 0.000 -0.131) 0.131 5.619 ( 0.197 0.000 -0.834) 0.857 5.719 ( 0.131 0.000 -0.085) 0.156 ======================= Grid point 87 (49/231) ======================= q-point: ( 0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -0.000 -2.636 -0.000) 2.636 0.904 ( -0.000 -1.639 -0.000) 1.639 0.964 ( -0.000 -1.736 -0.000) 1.736 1.067 ( -0.000 -13.553 -0.000) 13.553 1.118 ( 0.000 3.376 0.000) 3.376 1.197 ( -0.000 -1.424 -0.000) 1.424 1.269 ( -0.000 -3.419 -0.000) 3.419 1.321 ( 0.000 2.570 0.000) 2.570 1.604 ( -0.000 -0.262 -0.000) 0.262 1.610 ( -0.000 -1.720 -0.000) 1.720 1.664 ( 0.000 0.356 0.000) 0.356 1.924 ( -0.000 -14.058 -0.000) 14.058 1.987 ( -0.000 -10.533 -0.000) 10.533 2.596 ( -0.000 -0.927 -0.000) 0.927 2.758 ( -0.000 -3.904 -0.000) 3.904 2.836 ( -0.000 -0.435 -0.000) 0.435 3.182 ( -0.000 -2.724 -0.000) 2.724 3.566 ( 0.000 2.689 0.000) 2.689 3.599 ( 0.000 7.521 0.000) 7.521 3.702 ( 0.000 2.926 0.000) 2.926 3.754 ( 0.000 4.167 0.000) 4.167 3.826 ( 0.000 4.204 0.000) 4.204 4.096 ( -0.000 -6.542 -0.000) 6.542 4.143 ( 0.000 0.161 0.000) 0.161 4.826 ( 0.000 0.085 0.000) 0.085 4.952 ( -0.000 -1.834 -0.000) 1.834 5.160 ( 0.000 7.053 0.000) 7.053 5.405 ( 0.000 0.886 0.000) 0.886 5.598 ( 0.000 2.247 0.000) 2.247 5.711 ( 0.000 0.916 0.000) 0.916 ======================= Grid point 175 (50/231) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( 1.680 0.000 11.991) 12.108 0.299 ( 1.838 0.000 14.567) 14.682 0.524 ( 0.609 0.000 24.130) 24.137 0.858 ( 0.145 0.000 -1.748) 1.754 1.019 ( 4.464 0.000 -5.443) 7.040 1.076 ( 0.096 0.000 0.589) 0.597 1.357 ( 5.311 0.000 -3.952) 6.620 1.664 ( 0.055 0.000 0.032) 0.064 1.713 ( -4.075 -0.000 1.087) 4.217 1.784 ( -1.852 -0.000 -1.659) 2.486 2.023 ( -6.643 -0.000 -4.157) 7.836 2.159 ( -9.725 -0.000 1.432) 9.830 2.163 ( 0.409 0.000 -0.311) 0.514 2.328 ( 5.066 0.000 6.223) 8.024 2.538 ( -0.866 -0.000 2.045) 2.220 2.849 ( 17.219 0.000 -7.653) 18.843 2.981 ( 0.647 0.000 -2.555) 2.635 3.134 ( 12.922 0.000 0.923) 12.955 3.250 ( -0.389 -0.000 0.959) 1.035 3.451 ( -0.255 -0.000 1.979) 1.996 3.577 ( -10.850 -0.000 0.272) 10.853 4.018 ( 1.683 0.000 -6.724) 6.931 4.145 ( 0.360 0.000 0.203) 0.414 4.170 ( -0.206 -0.000 -0.006) 0.206 4.734 ( -0.320 -0.000 0.195) 0.375 4.910 ( 5.514 0.000 -1.430) 5.696 5.206 ( 1.934 0.000 8.763) 8.974 5.435 ( -0.001 -0.000 0.427) 0.427 5.653 ( -1.868 -0.000 -0.970) 2.104 5.815 ( -4.531 -0.000 -2.720) 5.285 ======================= Grid point 176 (51/231) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -0.741 -14.232 5.823) 15.395 0.413 ( -1.956 -2.963 15.309) 15.715 0.710 ( 6.041 -15.938 3.903) 17.486 0.939 ( 0.782 -4.973 1.702) 5.314 1.044 ( 2.630 -6.960 -2.482) 7.843 1.170 ( -1.351 -6.533 3.299) 7.443 1.345 ( 3.715 1.222 -6.678) 7.739 1.495 ( -2.552 4.902 0.116) 5.528 1.671 ( 0.815 3.425 0.615) 3.574 1.785 ( -1.621 -0.432 2.159) 2.734 1.848 ( -6.673 0.849 5.106) 8.445 2.119 ( -7.852 -6.919 -4.393) 11.350 2.193 ( -1.974 -2.618 0.778) 3.370 2.406 ( 8.871 -1.332 4.073) 9.852 2.717 ( 0.233 3.870 -3.861) 5.472 2.931 ( 0.064 -2.043 -0.576) 2.123 3.215 ( -0.632 -8.714 -1.612) 8.884 3.324 ( 0.082 -7.108 0.922) 7.168 3.404 ( 11.287 -5.585 -8.610) 15.255 3.452 ( -3.646 -2.381 0.971) 4.461 3.797 ( -5.329 -18.346 -14.428) 23.940 3.882 ( -1.393 9.362 -6.273) 11.355 4.176 ( -2.546 -1.616 -1.169) 3.234 4.302 ( 3.504 -12.029 -9.727) 15.861 4.719 ( 0.655 1.733 -0.004) 1.853 4.914 ( 5.776 2.947 -3.870) 7.551 5.192 ( 1.639 2.558 8.490) 9.018 5.433 ( 0.032 0.309 0.309) 0.439 5.613 ( -3.286 3.008 3.496) 5.663 5.720 ( -1.950 3.609 0.818) 4.183 ======================= Grid point 177 (52/231) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -3.687 -10.462 6.958) 13.095 0.682 ( -3.593 -16.342 0.763) 16.749 0.918 ( -0.322 -6.031 -3.813) 7.143 1.066 ( 2.812 -7.095 -2.839) 8.142 1.265 ( -4.271 -5.364 0.110) 6.858 1.324 ( 5.196 -15.189 3.155) 16.360 1.388 ( 1.622 -1.981 -3.634) 4.446 1.469 ( 4.862 -3.139 3.148) 6.589 1.624 ( 1.327 2.208 1.341) 2.905 1.774 ( -1.800 0.745 2.918) 3.508 1.846 ( -5.238 -4.183 4.551) 8.103 2.223 ( -5.890 -7.468 -3.244) 10.049 2.235 ( -1.727 -2.759 1.424) 3.553 2.454 ( 4.949 0.167 1.734) 5.246 2.641 ( 2.993 5.100 1.639) 6.137 2.949 ( 3.399 1.127 -0.946) 3.704 3.318 ( -2.930 -3.676 -3.276) 5.729 3.435 ( -2.659 -1.739 -1.328) 3.444 3.473 ( 0.589 -6.298 0.734) 6.368 3.585 ( 2.408 -8.122 -2.547) 8.847 3.680 ( -0.664 7.286 -5.301) 9.035 3.918 ( -2.795 0.203 -3.349) 4.367 4.186 ( -4.216 -1.549 -0.230) 4.497 4.481 ( -4.379 -6.161 -9.793) 12.370 4.679 ( 1.995 3.480 -1.235) 4.197 4.873 ( 4.331 4.333 -5.027) 7.925 5.143 ( 1.943 3.749 8.059) 9.099 5.422 ( -0.746 0.672 0.040) 1.005 5.543 ( -1.688 2.414 4.954) 5.764 5.680 ( -0.521 1.059 -1.440) 1.861 ======================= Grid point 178 (53/231) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -1.805 -13.979 2.164) 14.260 0.930 ( -2.870 -11.425 -1.013) 11.823 1.035 ( -2.307 -8.243 -0.776) 8.595 1.204 ( 1.253 -6.432 -0.343) 6.562 1.282 ( -2.582 -0.002 -3.553) 4.393 1.408 ( 2.318 -1.599 -1.219) 3.069 1.467 ( 1.864 -0.193 1.291) 2.275 1.578 ( -0.817 2.278 -0.337) 2.444 1.720 ( 2.001 -9.357 3.250) 10.105 1.737 ( -0.555 -0.714 -1.042) 1.380 1.963 ( 0.208 -9.488 13.511) 16.511 2.266 ( 0.669 -1.331 2.486) 2.898 2.277 ( -2.006 0.292 -1.520) 2.534 2.477 ( 1.003 -1.260 0.892) 1.841 2.573 ( 4.079 3.942 3.096) 6.463 2.941 ( 2.506 0.775 -1.532) 3.037 3.311 ( -3.375 3.036 -6.009) 7.531 3.430 ( -2.150 0.462 -8.161) 8.452 3.500 ( -2.526 -0.486 1.323) 2.892 3.675 ( -3.167 -7.340 -0.559) 8.014 3.745 ( -0.925 -3.690 -2.847) 4.752 3.867 ( -2.904 0.772 -0.324) 3.022 4.185 ( 0.064 0.019 1.059) 1.062 4.497 ( -4.327 0.915 -2.101) 4.897 4.617 ( 0.281 3.514 -2.688) 4.433 4.809 ( 1.828 4.324 -4.618) 6.586 5.082 ( 1.365 3.939 7.522) 8.600 5.403 ( -1.231 0.597 -0.340) 1.410 5.505 ( -0.546 1.309 2.565) 2.931 5.660 ( -0.531 0.840 -1.697) 1.967 ======================= Grid point 179 (54/231) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.663 -11.598 1.247) 11.684 1.056 ( -1.058 -4.231 -0.618) 4.405 1.132 ( -2.982 -1.310 -1.041) 3.419 1.282 ( -1.735 -5.008 -2.340) 5.794 1.340 ( -0.256 -3.427 0.816) 3.532 1.419 ( 1.987 1.326 -0.761) 2.507 1.482 ( -1.111 -1.085 -1.208) 1.968 1.500 ( -1.427 3.461 0.818) 3.832 1.667 ( 0.221 3.509 1.063) 3.673 1.883 ( -1.670 -4.404 5.352) 7.129 2.101 ( 0.682 -0.958 11.334) 11.395 2.229 ( 1.237 1.183 -0.535) 1.794 2.298 ( 6.300 0.697 1.369) 6.485 2.514 ( -2.185 -3.071 0.534) 3.807 2.572 ( 3.912 -2.228 3.375) 5.626 2.957 ( 2.717 -0.164 1.409) 3.065 3.224 ( -4.425 1.665 -12.057) 12.951 3.420 ( -1.234 0.464 -7.552) 7.667 3.480 ( -3.435 1.628 1.932) 4.264 3.717 ( -7.622 -0.914 -2.990) 8.238 3.786 ( -4.984 -5.771 1.365) 7.747 3.866 ( -4.425 -0.075 -0.929) 4.522 4.218 ( 4.850 -2.481 0.471) 5.468 4.414 ( 0.768 6.246 0.257) 6.298 4.567 ( -2.177 1.369 -1.970) 3.239 4.734 ( -0.474 4.228 -3.027) 5.221 5.018 ( 0.336 3.576 7.018) 7.884 5.389 ( -0.892 0.271 -0.393) 1.012 5.481 ( -0.378 1.238 1.086) 1.689 5.641 ( -0.704 0.729 -1.824) 2.087 ======================= Grid point 180 (55/231) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 1.070 4.357 -0.230) 4.492 1.084 ( 0.039 1.791 -0.380) 1.831 1.152 ( -1.340 -7.362 -2.144) 7.784 1.264 ( 0.786 3.086 1.348) 3.458 1.330 ( -6.432 5.646 -1.089) 8.627 1.389 ( -2.751 1.024 0.466) 2.972 1.474 ( -1.720 -6.547 -0.549) 6.791 1.567 ( 3.854 -2.612 3.236) 5.670 1.631 ( 0.831 0.693 0.354) 1.138 1.893 ( -2.338 1.840 10.769) 11.172 2.053 ( -1.044 1.562 -2.816) 3.385 2.240 ( 4.805 3.330 3.348) 6.737 2.325 ( 7.207 -1.937 3.070) 8.070 2.533 ( -8.194 -1.056 -1.282) 8.360 2.689 ( 4.604 -5.993 3.120) 8.176 2.987 ( 4.788 -2.218 2.666) 5.912 3.185 ( -5.026 1.633 -8.845) 10.304 3.378 ( -1.602 1.212 -7.887) 8.139 3.447 ( -3.553 0.022 1.451) 3.838 3.680 ( -5.596 2.511 -1.691) 6.363 3.811 ( -5.364 -2.751 -2.494) 6.524 3.888 ( -5.674 -5.444 0.808) 7.904 4.261 ( 4.279 5.518 0.554) 7.004 4.337 ( 3.514 -0.604 0.516) 3.602 4.538 ( -1.322 0.432 -1.694) 2.192 4.647 ( -1.766 4.413 -1.292) 4.926 4.963 ( 0.133 2.517 6.559) 7.026 5.384 ( -0.358 -0.172 -0.064) 0.402 5.454 ( -0.463 1.449 0.428) 1.580 5.626 ( -0.676 0.469 -2.141) 2.294 ======================= Grid point 181 (56/231) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -0.212 6.419 -0.541) 6.446 1.105 ( 3.038 -1.256 -0.571) 3.337 1.174 ( -2.805 2.514 0.370) 3.785 1.214 ( -0.544 2.143 0.928) 2.398 1.291 ( 0.366 -2.732 0.798) 2.869 1.382 ( -1.353 -1.673 0.036) 2.152 1.549 ( -0.568 -0.809 2.050) 2.275 1.599 ( 0.661 -0.858 2.318) 2.558 1.635 ( 1.463 0.471 0.008) 1.537 1.823 ( -2.340 3.467 4.804) 6.370 2.059 ( -0.066 -1.458 -1.293) 1.950 2.187 ( 2.479 3.293 1.384) 4.348 2.408 ( -7.050 -2.401 1.058) 7.522 2.506 ( 4.695 -1.695 1.303) 5.159 2.772 ( 2.021 -0.299 2.627) 3.328 3.072 ( -2.264 1.029 -4.463) 5.109 3.138 ( 4.177 -3.370 0.765) 5.421 3.353 ( -2.423 0.585 -3.785) 4.532 3.426 ( -1.550 0.052 1.668) 2.278 3.610 ( -1.513 1.751 -5.465) 5.934 3.843 ( -2.628 -2.124 -3.201) 4.655 3.969 ( -5.926 -6.587 0.583) 8.880 4.145 ( 5.111 7.704 1.316) 9.338 4.386 ( 1.677 -1.427 0.468) 2.251 4.543 ( -0.378 -1.230 -1.033) 1.650 4.561 ( -1.125 3.391 -0.982) 3.705 4.929 ( -0.055 1.251 6.298) 6.422 5.389 ( -0.059 -0.317 0.111) 0.341 5.428 ( -0.276 0.826 0.283) 0.916 5.618 ( -0.210 0.051 -2.367) 2.377 ======================= Grid point 182 (57/231) ======================= q-point: (-0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -3.252 -7.248 -0.651) 7.971 1.109 ( 1.034 2.063 -0.910) 2.481 1.182 ( 1.844 -2.014 1.410) 3.073 1.221 ( 4.163 -3.002 -0.392) 5.147 1.325 ( 2.539 -0.773 2.321) 3.526 1.396 ( -1.264 1.394 0.646) 1.989 1.508 ( 0.543 3.201 2.224) 3.935 1.611 ( 2.016 2.949 1.869) 4.032 1.632 ( -0.194 -1.778 1.067) 2.083 1.752 ( -1.832 2.829 0.693) 3.441 2.076 ( 1.258 0.218 0.258) 1.303 2.176 ( -2.600 -2.368 1.548) 3.843 2.355 ( -12.642 -0.723 -1.142) 12.714 2.614 ( 9.436 -1.856 3.273) 10.158 2.744 ( 1.179 3.756 2.990) 4.944 2.985 ( -2.514 4.182 -2.875) 5.663 3.204 ( -1.390 -1.346 -2.107) 2.860 3.379 ( 3.408 -1.063 -0.858) 3.672 3.463 ( 4.849 -3.431 1.891) 6.234 3.589 ( -0.721 -0.850 -6.958) 7.047 3.846 ( 0.321 0.883 -3.123) 3.262 3.974 ( 6.007 6.881 0.624) 9.155 4.136 ( -4.511 -7.294 1.155) 8.653 4.394 ( -0.961 1.242 0.668) 1.706 4.515 ( 0.534 0.411 -1.036) 1.236 4.588 ( 0.805 -2.977 -1.360) 3.370 4.916 ( -0.528 0.072 6.364) 6.387 5.385 ( -0.084 0.509 -0.090) 0.524 5.433 ( 0.326 -1.197 0.481) 1.331 5.621 ( 0.406 -0.390 -2.253) 2.322 ======================= Grid point 183 (58/231) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -2.590 -4.312 -1.904) 5.379 1.092 ( 0.514 -2.689 -0.017) 2.738 1.214 ( 3.172 0.636 1.201) 3.451 1.249 ( -0.116 3.707 -1.714) 4.086 1.312 ( 0.090 3.394 0.754) 3.478 1.427 ( 1.305 -4.604 0.075) 4.786 1.453 ( 2.335 2.527 1.382) 3.707 1.570 ( 2.603 1.927 1.470) 3.557 1.676 ( 3.804 -2.504 3.325) 5.639 1.708 ( -0.744 0.664 2.522) 2.712 2.070 ( 2.402 1.679 1.773) 3.425 2.230 ( -5.779 -5.347 1.905) 8.100 2.310 ( -8.902 -1.024 -0.781) 8.994 2.614 ( -1.585 4.353 0.263) 4.640 2.673 ( 4.450 5.525 6.080) 9.343 2.924 ( -3.241 0.129 0.065) 3.245 3.243 ( 3.158 -2.600 -4.741) 6.262 3.374 ( 2.158 2.777 -5.644) 6.651 3.521 ( 1.851 -1.481 -1.589) 2.854 3.679 ( 6.557 -4.859 -0.428) 8.172 3.822 ( 4.237 2.966 -3.304) 6.137 3.881 ( 6.311 6.003 1.312) 8.808 4.259 ( -3.951 -6.180 0.460) 7.349 4.336 ( -3.870 1.638 0.476) 4.229 4.542 ( 2.293 -2.078 -1.521) 3.448 4.659 ( 1.188 -3.700 -2.118) 4.425 4.925 ( -0.444 -1.297 6.713) 6.852 5.381 ( 0.359 -0.146 -0.168) 0.422 5.463 ( 0.373 -1.585 0.640) 1.749 5.635 ( 0.682 -0.737 -1.845) 2.100 ======================= Grid point 184 (59/231) ======================= q-point: (-0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -1.475 8.499 0.432) 8.637 1.091 ( 4.817 2.923 2.864) 6.321 1.139 ( 1.048 5.939 -0.039) 6.031 1.257 ( 1.763 4.417 -1.167) 4.897 1.274 ( -4.568 -4.721 -5.317) 8.451 1.357 ( 0.878 4.498 -0.033) 4.583 1.491 ( -0.934 0.490 1.763) 2.054 1.579 ( 1.005 -0.543 -1.683) 2.035 1.704 ( 0.660 -1.219 2.390) 2.762 1.805 ( 7.284 -4.646 6.188) 10.627 2.015 ( 1.419 6.477 3.985) 7.736 2.278 ( -6.672 0.386 1.000) 6.758 2.289 ( -4.239 -4.154 1.886) 6.228 2.533 ( -1.282 1.462 1.898) 2.717 2.571 ( -0.926 5.813 3.125) 6.664 2.931 ( -2.258 -1.408 1.446) 3.029 3.302 ( 3.616 -1.672 -9.712) 10.497 3.354 ( 2.066 -0.289 -4.432) 4.898 3.553 ( 0.510 -0.481 -1.486) 1.643 3.725 ( 7.052 5.082 -1.162) 8.770 3.807 ( 8.075 1.790 1.137) 8.348 3.859 ( 3.324 -0.098 -1.443) 3.625 4.201 ( -5.275 3.756 0.127) 6.476 4.418 ( -0.945 -7.089 0.303) 7.158 4.607 ( 3.110 -3.062 -1.481) 4.609 4.720 ( -0.222 -2.316 -4.521) 5.084 4.962 ( 0.209 -2.668 7.225) 7.704 5.393 ( 0.722 -0.715 -0.198) 1.035 5.494 ( 0.129 -1.659 1.250) 2.082 5.654 ( 0.459 -0.998 -1.401) 1.780 ======================= Grid point 185 (60/231) ======================= q-point: (-0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -3.037 13.166 3.780) 14.031 1.016 ( 2.886 9.292 2.324) 10.003 1.047 ( 2.324 6.702 -1.401) 7.231 1.185 ( 3.718 1.196 -3.245) 5.077 1.241 ( -5.791 4.978 -5.319) 9.306 1.354 ( 2.904 -1.248 1.543) 3.518 1.446 ( -1.097 3.516 0.973) 3.809 1.582 ( 1.231 0.885 -1.485) 2.123 1.711 ( -2.914 11.423 3.440) 12.281 1.759 ( 0.148 1.444 1.501) 2.088 1.950 ( 1.819 0.623 7.847) 8.079 2.241 ( -1.095 0.698 2.070) 2.443 2.334 ( -0.134 -1.446 2.825) 3.176 2.472 ( -0.907 3.535 -0.442) 3.676 2.555 ( -2.781 -3.156 3.030) 5.184 2.921 ( -1.795 0.796 -1.861) 2.706 3.361 ( 0.884 -0.522 -3.660) 3.801 3.400 ( 3.396 -4.827 -6.777) 8.987 3.527 ( 0.618 2.821 -2.647) 3.917 3.636 ( 5.595 8.021 0.014) 9.779 3.786 ( -0.884 5.306 -1.784) 5.667 3.877 ( 3.267 -1.693 -0.485) 3.712 4.159 ( 0.989 -0.735 0.667) 1.401 4.530 ( 2.522 -4.132 -0.582) 4.875 4.677 ( 3.058 -1.443 -4.185) 5.380 4.738 ( -3.897 -1.977 -5.492) 7.018 5.023 ( 0.860 -3.393 7.750) 8.504 5.411 ( 0.748 -0.685 -0.190) 1.032 5.529 ( -0.451 -2.399 2.645) 3.599 5.675 ( -0.046 -1.072 -1.148) 1.571 ======================= Grid point 186 (61/231) ======================= q-point: (-0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -2.428 11.872 6.276) 13.647 0.780 ( 0.670 15.787 3.754) 16.241 0.960 ( -2.429 3.891 -2.801) 5.375 1.054 ( -4.679 11.115 -3.870) 12.665 1.222 ( 6.180 1.418 -4.631) 7.852 1.294 ( 1.294 11.616 8.216) 14.287 1.347 ( -2.859 9.448 0.624) 9.891 1.457 ( -1.699 -0.101 -3.386) 3.789 1.595 ( 2.036 -0.743 -0.452) 2.214 1.788 ( 0.172 -1.127 4.718) 4.854 1.930 ( -2.841 0.784 4.276) 5.193 2.226 ( 2.155 1.819 1.101) 3.027 2.329 ( 3.817 2.847 4.512) 6.560 2.386 ( -4.323 5.280 -2.555) 7.287 2.614 ( -1.110 -4.672 0.343) 4.815 2.912 ( -1.144 -1.029 -2.396) 2.847 3.349 ( 3.741 3.189 -2.862) 5.688 3.385 ( 0.035 7.371 -1.547) 7.531 3.491 ( 4.101 8.704 0.771) 9.653 3.547 ( -2.837 1.021 -4.219) 5.186 3.718 ( -1.504 -4.793 -3.802) 6.300 3.933 ( 1.945 -1.641 -2.869) 3.835 4.197 ( 4.339 -0.558 0.724) 4.435 4.533 ( 3.020 8.793 -14.031) 16.832 4.680 ( -2.412 -2.340 -2.972) 4.487 4.792 ( -0.802 -4.116 -0.336) 4.207 5.096 ( 1.682 -3.545 8.260) 9.145 5.425 ( 0.413 -0.479 0.006) 0.632 5.581 ( -1.314 -3.775 4.009) 5.661 5.694 ( -0.520 -1.356 -0.712) 1.617 ======================= Grid point 187 (62/231) ======================= q-point: (-0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 0.260 7.031 9.632) 11.928 0.482 ( -2.788 14.381 8.511) 16.942 0.697 ( -5.876 16.972 8.164) 19.729 0.947 ( -1.591 2.860 0.084) 3.274 1.019 ( 1.359 9.279 -1.848) 9.559 1.172 ( 0.879 7.350 2.506) 7.815 1.301 ( 3.852 -1.250 -6.537) 7.690 1.517 ( -0.778 -6.231 -1.560) 6.470 1.653 ( 2.319 -3.809 0.442) 4.481 1.795 ( -0.466 0.205 4.229) 4.260 1.910 ( -4.527 -1.478 4.272) 6.397 2.193 ( 0.704 2.800 -0.093) 2.888 2.230 ( -9.198 5.679 -4.678) 11.779 2.301 ( 8.803 3.480 6.779) 11.643 2.716 ( 0.374 -6.247 -4.386) 7.643 2.935 ( -0.663 -1.182 -0.769) 1.558 3.205 ( 3.017 11.307 -1.677) 11.822 3.266 ( 8.777 12.213 -7.871) 16.975 3.351 ( -1.579 8.290 -1.651) 8.599 3.477 ( -1.494 2.698 1.072) 3.265 3.865 ( -3.505 9.380 -13.713) 16.980 3.890 ( -0.251 -5.307 -6.788) 8.619 4.197 ( 0.806 2.823 -0.490) 2.976 4.272 ( -0.443 14.055 -13.093) 19.214 4.720 ( -0.652 -1.899 0.110) 2.011 4.860 ( 2.670 -2.576 0.236) 3.717 5.167 ( 2.247 -2.562 8.701) 9.344 5.433 ( -0.032 -0.236 0.268) 0.359 5.641 ( -1.657 -2.710 1.085) 3.356 5.741 ( -1.405 -5.360 1.518) 5.746 ======================= Grid point 189 (63/231) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 5.258 0.000 13.939) 14.898 0.351 ( 10.691 0.000 8.823) 13.861 0.618 ( 13.246 0.000 19.944) 23.942 0.870 ( 2.068 0.000 -1.728) 2.695 1.041 ( 0.023 0.000 -8.961) 8.961 1.068 ( -1.543 -0.000 0.678) 1.685 1.406 ( 2.962 0.000 -3.034) 4.240 1.607 ( -14.221 -0.000 0.518) 14.230 1.664 ( -0.088 -0.000 0.035) 0.095 1.743 ( -3.901 -0.000 -0.460) 3.928 1.888 ( -14.945 -0.000 7.446) 16.698 2.014 ( -5.002 -0.000 -1.527) 5.230 2.145 ( -3.517 -0.000 -0.151) 3.521 2.497 ( 15.338 0.000 3.100) 15.648 2.539 ( 0.991 0.000 1.713) 1.979 2.950 ( -1.177 -0.000 -1.201) 1.681 2.999 ( 2.374 0.000 -2.255) 3.274 3.269 ( 3.553 0.000 0.850) 3.653 3.330 ( 9.977 0.000 -13.480) 16.771 3.457 ( 8.976 0.000 -2.017) 9.199 3.568 ( 6.272 0.000 0.757) 6.317 4.029 ( 0.287 0.000 -8.206) 8.211 4.148 ( 0.022 0.000 0.171) 0.172 4.167 ( -0.307 -0.000 0.041) 0.309 4.740 ( 1.378 0.000 -0.017) 1.378 4.972 ( 4.468 0.000 -6.163) 7.613 5.223 ( 0.864 0.000 6.932) 6.986 5.439 ( 0.688 0.000 0.495) 0.847 5.620 ( -3.847 -0.000 2.190) 4.427 5.752 ( -4.874 -0.000 0.860) 4.950 ======================= Grid point 190 (64/231) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( -4.176 -4.044 11.109) 12.538 0.503 ( 9.691 -2.973 9.884) 14.158 0.790 ( 6.913 -9.571 -1.790) 11.941 0.965 ( 2.786 -4.966 -0.115) 5.696 1.082 ( 4.681 -10.376 1.836) 11.530 1.148 ( -2.254 -5.076 2.271) 6.001 1.370 ( 0.334 -0.687 -6.959) 7.001 1.469 ( -1.712 1.514 2.366) 3.290 1.672 ( -0.614 2.137 0.722) 2.337 1.755 ( -4.402 -2.481 -4.375) 6.684 1.767 ( -6.726 0.920 10.203) 12.255 2.053 ( -3.545 -6.063 -2.419) 7.428 2.156 ( -4.409 -3.375 0.875) 5.621 2.504 ( 8.189 0.944 1.889) 8.457 2.721 ( 0.369 0.457 -3.070) 3.126 2.932 ( -0.118 -4.326 1.205) 4.493 3.191 ( -3.288 -8.975 -0.289) 9.563 3.338 ( 2.701 -4.413 1.422) 5.366 3.405 ( -3.278 -4.266 -1.478) 5.579 3.524 ( 9.659 -0.866 -5.285) 11.045 3.764 ( -0.304 -11.870 -9.314) 15.091 3.855 ( -2.950 10.003 -6.257) 12.162 4.150 ( -2.006 1.031 -0.158) 2.261 4.318 ( -0.352 -10.019 -7.324) 12.416 4.738 ( 2.745 1.410 -0.656) 3.155 4.963 ( 2.472 2.865 -5.726) 6.863 5.209 ( 1.040 2.097 5.669) 6.133 5.434 ( 0.172 0.877 0.520) 1.034 5.577 ( -2.966 2.159 5.555) 6.657 5.703 ( -1.039 1.890 -0.243) 2.170 ======================= Grid point 191 (65/231) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -5.001 -13.308 3.679) 14.685 0.685 ( 3.223 -11.382 2.749) 12.145 0.923 ( 1.378 -4.586 -1.994) 5.187 1.089 ( 1.173 -6.515 -2.651) 7.131 1.216 ( -4.060 -4.674 -1.459) 6.361 1.379 ( 2.948 -11.127 3.489) 12.028 1.408 ( 3.411 -1.859 -3.965) 5.551 1.521 ( 3.440 -6.009 1.144) 7.018 1.640 ( 0.510 1.251 1.458) 1.988 1.747 ( -2.671 0.285 1.782) 3.224 1.788 ( -4.518 -7.669 7.253) 11.482 2.165 ( -3.889 -7.427 -2.034) 8.627 2.212 ( -2.141 -4.516 2.062) 5.406 2.516 ( 5.829 2.357 1.359) 6.432 2.675 ( 2.541 3.901 0.531) 4.686 2.984 ( 2.443 0.232 -0.925) 2.623 3.284 ( -2.889 -3.518 -2.230) 5.069 3.396 ( -3.019 -1.881 -1.195) 3.752 3.476 ( -0.749 -3.007 1.629) 3.501 3.590 ( -0.637 -0.841 -4.146) 4.278 3.690 ( 2.105 1.131 -5.198) 5.721 3.881 ( -3.483 -0.177 -2.707) 4.415 4.138 ( -3.730 -2.661 0.281) 4.590 4.426 ( -4.760 -4.030 -5.789) 8.509 4.708 ( 3.071 4.010 -1.616) 5.304 4.903 ( 1.313 4.453 -4.327) 6.347 5.163 ( 1.046 3.631 6.099) 7.175 5.410 ( -1.200 1.159 0.151) 1.675 5.530 ( -0.718 1.701 4.018) 4.422 5.674 ( -0.291 1.073 -1.529) 1.891 ======================= Grid point 192 (66/231) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -0.965 -15.187 0.970) 15.248 0.907 ( -0.967 -11.019 0.017) 11.062 1.020 ( -0.165 -5.701 -0.195) 5.706 1.195 ( -2.588 -4.281 -0.666) 5.046 1.262 ( -0.915 -3.640 -1.845) 4.182 1.433 ( 2.049 -1.763 1.738) 3.213 1.472 ( -0.946 0.259 -3.538) 3.672 1.565 ( -1.947 3.998 -1.207) 4.608 1.715 ( -1.549 -0.390 2.084) 2.626 1.749 ( 1.727 -8.233 -0.350) 8.420 1.987 ( 2.758 -11.102 15.014) 18.876 2.244 ( -1.915 -2.353 -1.285) 3.295 2.293 ( 2.676 -3.578 2.502) 5.121 2.486 ( 0.385 1.957 0.881) 2.180 2.627 ( 4.894 3.376 1.517) 6.136 2.973 ( 3.121 1.391 -1.647) 3.793 3.267 ( -4.026 3.590 -5.623) 7.792 3.395 ( -3.368 -1.036 -6.527) 7.418 3.466 ( -3.319 -0.114 1.791) 3.773 3.639 ( -3.385 -5.774 -1.214) 6.803 3.719 ( -3.210 2.199 -3.338) 5.126 3.826 ( -4.214 -0.475 -0.270) 4.250 4.193 ( 1.500 -3.246 0.932) 3.695 4.445 ( -4.465 -1.339 -1.830) 5.008 4.628 ( 1.568 5.524 -1.819) 6.023 4.819 ( 0.140 5.074 -3.526) 6.180 5.092 ( 0.043 4.205 6.954) 8.126 5.387 ( -1.450 0.429 -0.587) 1.622 5.502 ( -0.170 1.289 1.969) 2.360 5.653 ( -0.483 0.992 -1.746) 2.065 ======================= Grid point 193 (67/231) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -0.140 -11.592 0.823) 11.622 1.045 ( -1.109 -4.667 -1.832) 5.135 1.104 ( -1.455 -2.508 0.911) 3.039 1.257 ( -2.387 -5.879 -1.821) 6.601 1.325 ( -2.314 -1.316 0.259) 2.674 1.411 ( -6.162 3.778 -0.798) 7.272 1.449 ( 2.373 2.198 -3.248) 4.583 1.528 ( 2.370 -2.487 1.553) 3.770 1.677 ( 1.265 2.996 1.419) 3.548 1.870 ( -0.591 -3.329 6.011) 6.897 2.115 ( 1.325 2.506 11.478) 11.822 2.233 ( -0.725 -2.123 -1.347) 2.617 2.375 ( 6.935 -1.045 1.580) 7.189 2.481 ( -3.163 -1.042 -0.652) 3.393 2.626 ( 5.032 -1.693 2.444) 5.845 2.990 ( 3.022 -0.920 0.635) 3.222 3.173 ( -3.741 2.307 -9.561) 10.523 3.394 ( -2.983 -0.237 -6.590) 7.237 3.440 ( -3.579 1.862 1.301) 4.240 3.621 ( -8.824 -0.481 -1.989) 9.058 3.736 ( -4.048 -5.081 1.485) 6.664 3.808 ( -5.339 0.569 -2.149) 5.783 4.271 ( 4.273 -3.211 0.315) 5.354 4.417 ( -0.263 3.157 0.341) 3.186 4.551 ( -0.554 2.596 -1.467) 3.033 4.721 ( -1.764 4.938 -2.615) 5.859 5.020 ( -0.091 3.520 6.951) 7.792 5.378 ( -0.968 -0.114 -0.425) 1.063 5.477 ( -0.380 1.362 0.875) 1.663 5.633 ( -0.728 0.812 -1.968) 2.250 ======================= Grid point 194 (68/231) ======================= q-point: ( 0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.029 3.667 -0.816) 3.757 1.096 ( 1.534 -0.104 0.095) 1.540 1.137 ( -1.178 -6.628 -1.232) 6.844 1.259 ( -4.969 3.043 -0.255) 5.833 1.282 ( 1.318 3.446 -0.518) 3.726 1.359 ( -2.559 -0.281 0.102) 2.576 1.466 ( 0.842 -4.216 0.321) 4.311 1.603 ( 2.070 -2.696 1.413) 3.681 1.643 ( 1.450 1.353 1.737) 2.636 1.875 ( -1.094 2.639 10.264) 10.654 2.035 ( -2.004 1.175 -2.255) 3.237 2.275 ( -1.926 0.570 4.300) 4.746 2.371 ( 1.630 4.323 -1.526) 4.866 2.478 ( 0.707 -2.708 1.257) 3.068 2.739 ( 3.748 -5.111 1.526) 6.519 3.036 ( 3.051 -2.337 1.258) 4.044 3.139 ( -1.904 0.226 -6.322) 6.606 3.352 ( -2.489 1.471 -6.274) 6.908 3.406 ( -3.364 -0.551 2.148) 4.029 3.616 ( -5.774 -1.225 -2.708) 6.494 3.750 ( -4.769 -2.047 -2.157) 5.620 3.827 ( -5.231 -5.107 0.342) 7.319 4.308 ( 3.868 4.874 0.410) 6.235 4.370 ( 2.359 -0.656 0.547) 2.509 4.525 ( -0.990 -0.049 -1.170) 1.534 4.622 ( -2.546 4.244 -1.441) 5.155 4.967 ( 0.292 2.511 6.591) 7.059 5.380 ( -0.341 -0.513 0.038) 0.617 5.448 ( -0.620 1.460 0.358) 1.626 5.618 ( -0.633 0.304 -2.284) 2.390 ======================= Grid point 195 (69/231) ======================= q-point: ( 0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 2.411 7.866 -0.853) 8.271 1.134 ( 1.657 -1.728 -0.268) 2.409 1.156 ( -0.357 0.622 0.302) 0.778 1.221 ( 1.810 0.570 -0.452) 1.951 1.299 ( 0.975 -3.039 2.309) 3.939 1.368 ( -1.024 -2.052 -0.599) 2.370 1.542 ( -0.049 -2.049 1.437) 2.503 1.614 ( 1.651 1.320 4.514) 4.985 1.647 ( 0.557 -0.167 -0.544) 0.796 1.796 ( -2.540 3.624 3.427) 5.597 2.053 ( -1.060 -2.201 -0.778) 2.564 2.208 ( -2.685 3.349 2.590) 5.013 2.272 ( -8.711 2.365 -1.540) 9.157 2.594 ( 6.301 -5.028 2.636) 8.482 2.799 ( 2.722 0.178 1.969) 3.364 3.043 ( -2.307 2.361 -4.989) 5.982 3.167 ( 0.469 -1.723 0.830) 1.970 3.352 ( 2.198 -2.659 -1.383) 3.717 3.423 ( 1.287 -2.665 1.946) 3.542 3.588 ( -2.122 1.017 -6.965) 7.352 3.801 ( -4.614 -4.859 -3.110) 7.388 3.901 ( -5.484 -6.673 1.004) 8.696 4.209 ( 5.581 7.530 0.775) 9.405 4.401 ( 0.911 -0.469 0.493) 1.138 4.530 ( -1.614 0.110 0.230) 1.634 4.553 ( -0.460 0.542 -2.143) 2.258 4.931 ( 0.097 1.553 6.341) 6.529 5.389 ( 0.113 -0.296 0.123) 0.340 5.423 ( -0.517 0.429 0.299) 0.736 5.615 ( -0.154 -0.304 -2.409) 2.433 ======================= Grid point 196 (70/231) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.293 -4.031 -0.987) 4.161 1.127 ( 1.997 2.039 -0.903) 2.993 1.206 ( 2.057 -3.556 1.407) 4.343 1.262 ( 2.829 -2.176 -1.892) 4.040 1.353 ( 1.300 -2.604 3.581) 4.614 1.385 ( 0.130 1.733 -0.575) 1.830 1.514 ( 0.698 2.589 2.716) 3.817 1.627 ( 0.338 1.555 1.229) 2.011 1.650 ( 3.644 -1.868 3.588) 5.444 1.725 ( -2.825 2.400 0.024) 3.707 2.074 ( -2.463 -1.547 0.586) 2.967 2.159 ( -0.655 0.818 1.591) 1.905 2.219 ( -9.879 -2.166 0.315) 10.119 2.660 ( -0.039 0.772 0.386) 0.863 2.794 ( 5.949 3.143 5.266) 8.544 2.957 ( -2.187 4.602 -1.733) 5.381 3.192 ( -0.271 -3.001 -2.673) 4.027 3.413 ( 2.552 -0.630 -2.265) 3.470 3.513 ( 2.061 -1.212 -1.804) 2.995 3.595 ( 3.538 -5.619 -3.493) 7.503 3.842 ( -0.934 -1.387 -3.038) 3.468 4.000 ( -2.030 -3.692 0.010) 4.214 4.127 ( 3.400 1.673 1.554) 4.096 4.375 ( -2.516 3.044 0.692) 4.010 4.522 ( 0.785 -0.939 -1.619) 2.030 4.593 ( 0.242 -3.583 -1.001) 3.728 4.915 ( -0.054 0.242 6.369) 6.374 5.385 ( 0.110 0.417 -0.150) 0.457 5.435 ( 0.010 -1.454 0.508) 1.540 5.625 ( 0.299 -0.679 -2.198) 2.320 ======================= Grid point 197 (71/231) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -1.847 -8.393 -1.156) 8.671 1.113 ( 2.268 1.509 -1.517) 3.118 1.230 ( -0.786 2.682 1.083) 2.997 1.271 ( 4.098 5.055 1.584) 6.697 1.303 ( -1.440 1.344 -0.426) 2.016 1.435 ( 0.113 -3.337 1.105) 3.517 1.476 ( 2.002 3.997 -0.794) 4.540 1.596 ( 1.641 1.234 0.485) 2.110 1.682 ( -2.995 -0.505 -0.313) 3.053 1.756 ( 8.451 -5.018 8.022) 12.687 2.091 ( 0.939 -0.037 2.397) 2.575 2.173 ( -3.937 -3.707 1.674) 5.660 2.211 ( -7.988 -2.238 -0.050) 8.296 2.591 ( -1.643 4.965 2.046) 5.615 2.716 ( 2.233 7.981 4.412) 9.389 2.894 ( -1.843 0.225 0.579) 1.945 3.283 ( 3.689 -4.723 -4.733) 7.636 3.385 ( 0.213 3.395 -8.746) 9.384 3.529 ( -0.006 -1.382 -1.178) 1.816 3.762 ( 7.309 -5.839 0.436) 9.365 3.850 ( 1.028 -0.003 -3.391) 3.543 3.954 ( 6.090 6.636 0.692) 9.033 4.220 ( -2.719 -4.732 0.706) 5.503 4.286 ( -4.871 0.652 0.427) 4.933 4.566 ( 1.760 -2.742 -1.970) 3.808 4.666 ( 0.304 -3.650 -2.044) 4.194 4.927 ( 0.527 -1.414 6.806) 6.971 5.385 ( 0.343 -0.360 -0.244) 0.553 5.465 ( 0.020 -1.617 0.674) 1.752 5.640 ( 0.365 -0.795 -1.762) 1.968 ======================= Grid point 198 (72/231) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -1.621 10.531 2.164) 10.872 1.138 ( -1.080 5.145 -2.048) 5.642 1.147 ( 3.608 -1.809 0.839) 4.122 1.238 ( -0.063 -0.809 -1.719) 1.901 1.277 ( 1.351 4.362 -0.794) 4.635 1.371 ( 1.331 4.806 -0.257) 4.994 1.474 ( -1.713 -0.183 1.761) 2.464 1.592 ( 0.724 0.258 -1.462) 1.651 1.704 ( -0.676 -2.673 2.170) 3.509 1.878 ( 4.533 -0.180 3.755) 5.889 2.038 ( 2.436 6.619 6.601) 9.659 2.213 ( -4.049 -2.300 1.748) 4.974 2.248 ( -3.197 -5.575 1.007) 6.505 2.512 ( -1.871 1.400 4.910) 5.438 2.569 ( -0.064 7.170 0.573) 7.193 2.914 ( -0.807 -1.719 1.828) 2.636 3.324 ( 0.489 0.306 -12.567) 12.580 3.381 ( 2.934 -1.796 -4.158) 5.397 3.552 ( -0.544 -0.777 -0.211) 0.972 3.791 ( 4.286 4.602 -2.174) 6.654 3.872 ( 2.760 3.859 -0.182) 4.748 3.900 ( 3.950 0.589 0.041) 3.994 4.146 ( -3.888 1.719 0.495) 4.279 4.406 ( -0.979 -8.528 0.151) 8.585 4.635 ( 1.383 -3.655 -1.752) 4.282 4.714 ( -0.095 -1.225 -4.946) 5.096 4.972 ( 1.164 -2.707 7.501) 8.058 5.400 ( 0.388 -0.851 -0.255) 0.969 5.493 ( -0.237 -1.543 1.383) 2.085 5.657 ( 0.046 -0.859 -1.401) 1.644 ======================= Grid point 199 (73/231) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -1.952 13.297 3.889) 13.991 1.014 ( -2.433 7.373 -1.110) 7.843 1.076 ( 1.047 11.396 0.097) 11.444 1.175 ( -1.927 5.540 -4.958) 7.680 1.257 ( 5.834 -1.417 -2.733) 6.596 1.381 ( 0.810 -2.565 -0.915) 2.841 1.430 ( -0.714 4.072 4.153) 5.860 1.591 ( 0.284 0.441 -1.353) 1.451 1.681 ( -1.668 16.550 3.353) 16.968 1.759 ( -0.320 -1.513 2.532) 2.967 1.969 ( 0.739 3.828 7.932) 8.839 2.241 ( 0.855 -1.247 1.544) 2.161 2.322 ( -1.496 -3.131 0.980) 3.606 2.464 ( -0.515 3.748 0.676) 3.844 2.535 ( -0.776 -2.995 3.809) 4.907 2.911 ( -0.024 1.089 -1.760) 2.070 3.362 ( -0.600 -1.986 -4.910) 5.331 3.431 ( 2.244 -3.724 -7.699) 8.843 3.529 ( -0.186 2.454 -1.136) 2.711 3.692 ( 4.138 8.414 -1.105) 9.442 3.762 ( -2.975 8.385 -0.590) 8.917 3.899 ( 0.637 -1.726 -1.046) 2.116 4.175 ( 1.376 -3.244 0.914) 3.640 4.543 ( 0.071 -6.200 -0.503) 6.221 4.684 ( -4.654 0.951 -7.082) 8.527 4.726 ( 4.881 -2.217 -3.867) 6.611 5.038 ( 1.507 -3.519 8.183) 9.034 5.416 ( 0.147 -0.720 -0.182) 0.757 5.522 ( -0.843 -2.031 2.979) 3.703 5.672 ( -0.371 -0.896 -1.335) 1.650 ======================= Grid point 200 (74/231) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -0.694 10.918 7.426) 13.222 0.750 ( -6.129 16.533 1.331) 17.682 0.930 ( -1.683 6.912 -4.641) 8.494 1.038 ( 1.392 8.092 -2.270) 8.518 1.273 ( 3.343 11.239 -0.250) 11.728 1.308 ( -2.370 7.303 4.141) 8.723 1.345 ( 4.926 8.031 -0.657) 9.444 1.442 ( -0.355 -2.319 -0.232) 2.357 1.612 ( 1.055 -1.762 0.135) 2.059 1.786 ( -0.658 -0.914 4.015) 4.170 1.896 ( -3.680 2.530 4.099) 6.062 2.243 ( 0.468 1.785 0.931) 2.067 2.295 ( -6.191 5.386 -3.425) 8.892 2.403 ( 4.042 2.499 2.848) 5.541 2.614 ( 1.265 -5.140 1.676) 5.552 2.917 ( 2.001 -1.152 -1.477) 2.741 3.349 ( -2.167 3.163 -3.713) 5.337 3.418 ( 4.047 4.504 -0.174) 6.058 3.501 ( -3.908 7.090 -2.201) 8.390 3.544 ( 4.139 7.668 -0.994) 8.770 3.698 ( -1.768 -7.648 -4.905) 9.256 3.940 ( -0.674 -1.301 -3.257) 3.571 4.219 ( -0.781 -0.354 0.143) 0.869 4.527 ( -2.770 9.408 -15.279) 18.156 4.667 ( 0.068 -3.394 -0.972) 3.531 4.817 ( 4.736 -3.966 -2.166) 6.546 5.118 ( 1.883 -3.829 8.690) 9.681 5.427 ( -0.162 -0.435 0.017) 0.465 5.563 ( -1.934 -3.277 4.853) 6.167 5.687 ( -0.642 -1.175 -1.127) 1.750 ======================= Grid point 203 (75/231) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 8.475 0.000 11.207) 14.051 0.489 ( 12.517 0.000 5.027) 13.489 0.797 ( 16.118 0.000 12.166) 20.194 0.902 ( 3.625 0.000 -1.676) 3.994 1.032 ( -0.455 -0.000 -6.502) 6.518 1.045 ( -2.256 -0.000 0.837) 2.406 1.374 ( -12.158 -0.000 -4.078) 12.824 1.476 ( -3.337 -0.000 1.633) 3.715 1.661 ( -0.490 -0.000 0.022) 0.490 1.707 ( -2.438 -0.000 0.627) 2.517 1.752 ( -9.659 -0.000 8.167) 12.649 1.991 ( -0.642 -0.000 -2.456) 2.538 2.086 ( -6.627 -0.000 0.061) 6.627 2.561 ( 2.685 0.000 1.383) 3.020 2.647 ( 10.793 0.000 1.929) 10.964 2.897 ( -6.053 -0.000 4.917) 7.799 3.031 ( 3.202 0.000 -1.817) 3.682 3.329 ( 6.917 0.000 0.689) 6.951 3.358 ( 0.913 0.000 -6.007) 6.076 3.577 ( 8.379 0.000 -1.136) 8.455 3.661 ( 7.762 0.000 -10.716) 13.231 4.016 ( -2.327 -0.000 -8.652) 8.959 4.143 ( -0.896 -0.000 -0.172) 0.913 4.165 ( -0.058 -0.000 0.347) 0.352 4.765 ( 2.867 0.000 -0.701) 2.952 4.995 ( -0.193 -0.000 -4.652) 4.656 5.231 ( 0.360 0.000 2.301) 2.329 5.448 ( 0.597 0.000 0.806) 1.003 5.580 ( -2.753 -0.000 5.386) 6.049 5.717 ( -1.669 -0.000 0.242) 1.686 ======================= Grid point 204 (76/231) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 2.669 4.795 6.767) 8.713 0.625 ( 11.034 -0.768 7.734) 13.497 0.864 ( 6.532 -4.077 -2.101) 7.981 0.985 ( 1.090 -4.113 -4.351) 6.086 1.121 ( -2.055 -3.619 2.177) 4.697 1.164 ( 8.237 -12.736 3.584) 15.585 1.336 ( -5.737 -7.243 -7.041) 11.617 1.469 ( 1.576 -0.536 4.991) 5.262 1.651 ( -4.841 0.657 3.242) 5.863 1.678 ( -4.928 0.140 -0.574) 4.964 1.729 ( -2.117 -1.175 3.993) 4.670 2.027 ( -1.448 -4.943 -1.742) 5.437 2.099 ( -5.308 -4.976 1.146) 7.365 2.591 ( 6.852 0.704 0.555) 6.911 2.721 ( -0.180 0.341 -1.895) 1.934 2.925 ( -1.227 -5.831 4.244) 7.315 3.156 ( -2.151 -8.433 0.395) 8.712 3.362 ( 0.373 -0.688 -1.622) 1.801 3.412 ( 5.224 -3.329 -0.921) 6.263 3.620 ( 7.595 0.999 -3.482) 8.415 3.767 ( 0.528 -7.014 -6.507) 9.582 3.814 ( -3.806 10.730 -5.553) 12.667 4.127 ( -2.019 2.557 0.372) 3.279 4.295 ( -3.088 -8.132 -4.678) 9.877 4.776 ( 3.677 1.095 -1.460) 4.105 4.968 ( -1.014 2.240 -2.721) 3.668 5.217 ( 0.240 1.758 1.671) 2.437 5.433 ( -0.519 1.578 1.178) 2.036 5.556 ( -0.824 1.323 4.692) 4.944 5.695 ( -0.271 1.245 -0.788) 1.498 ======================= Grid point 205 (77/231) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 1.533 -13.483 0.846) 13.596 0.743 ( 6.696 -6.578 3.332) 9.960 0.945 ( 2.337 -3.289 -0.512) 4.067 1.093 ( -0.289 -4.796 -0.215) 4.809 1.176 ( -2.653 -5.018 -3.593) 6.718 1.400 ( 1.436 -4.328 2.171) 5.051 1.438 ( 0.446 -4.895 -4.050) 6.369 1.555 ( 2.873 -7.586 1.288) 8.213 1.610 ( -5.573 1.218 0.367) 5.716 1.711 ( -3.729 -1.542 -3.120) 5.100 1.771 ( 0.752 -10.851 12.893) 16.868 2.139 ( -0.603 -6.910 -0.062) 6.937 2.194 ( -0.856 -6.908 2.196) 7.299 2.584 ( 5.787 4.689 1.522) 7.603 2.692 ( 0.492 1.624 -0.857) 1.901 3.000 ( 0.393 -1.762 -0.511) 1.876 3.254 ( -2.191 -3.268 -0.877) 4.031 3.372 ( -1.210 -0.143 -0.990) 1.570 3.463 ( -1.069 1.226 0.564) 1.721 3.582 ( -0.603 2.399 -3.776) 4.514 3.708 ( 1.108 -0.812 -6.118) 6.270 3.837 ( -4.369 1.457 -1.588) 4.872 4.110 ( -1.009 -3.997 0.863) 4.212 4.371 ( -4.677 -3.482 -3.567) 6.836 4.743 ( 3.050 4.791 -1.930) 5.998 4.906 ( -0.359 3.980 -2.082) 4.506 5.166 ( -0.724 3.671 4.388) 5.766 5.396 ( -1.359 1.514 0.025) 2.034 5.528 ( 0.203 1.514 2.665) 3.072 5.672 ( -0.049 1.221 -1.428) 1.879 ======================= Grid point 206 (78/231) ======================= q-point: ( 0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 1.768 -14.868 0.473) 14.980 0.911 ( 1.803 -8.052 0.292) 8.256 1.027 ( 1.100 -4.360 0.319) 4.507 1.158 ( -3.438 -3.933 -0.921) 5.304 1.252 ( -0.927 -4.383 -0.820) 4.555 1.423 ( -4.055 0.680 0.446) 4.136 1.479 ( 2.096 -0.778 -2.215) 3.148 1.526 ( -4.100 2.498 -0.917) 4.888 1.694 ( -1.913 -1.876 1.527) 3.084 1.776 ( 2.775 -7.140 -0.019) 7.660 2.009 ( -0.465 -11.972 11.911) 16.894 2.245 ( 2.446 -2.547 0.564) 3.576 2.333 ( 4.160 -6.640 2.629) 8.265 2.485 ( -0.533 6.034 0.685) 6.096 2.677 ( 3.699 1.728 -0.182) 4.087 3.009 ( 3.108 0.879 -1.772) 3.684 3.222 ( -3.370 4.378 -3.972) 6.804 3.358 ( -2.561 -0.920 -4.554) 5.306 3.429 ( -3.092 0.091 1.569) 3.469 3.591 ( -5.164 -2.382 -2.292) 6.132 3.676 ( -4.335 4.846 -1.540) 6.681 3.776 ( -4.027 -1.250 -2.070) 4.698 4.218 ( 2.713 -5.263 0.722) 5.965 4.398 ( -3.641 -2.434 -1.235) 4.551 4.647 ( 1.641 6.455 -1.546) 6.837 4.813 ( -0.862 5.728 -2.520) 6.317 5.087 ( -1.214 3.915 6.713) 7.865 5.371 ( -1.249 0.301 -0.888) 1.561 5.502 ( 0.061 1.510 1.429) 2.080 5.648 ( -0.379 1.233 -1.717) 2.148 ======================= Grid point 207 (79/231) ======================= q-point: ( 0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.779 -11.037 0.799) 11.093 1.031 ( -0.943 -4.505 -2.683) 5.328 1.102 ( 0.685 -2.523 1.891) 3.226 1.226 ( -3.149 -5.132 -0.892) 6.087 1.290 ( -3.465 0.952 -0.648) 3.652 1.348 ( -4.393 1.236 0.148) 4.566 1.474 ( 1.626 0.186 -2.940) 3.365 1.550 ( 1.579 -2.786 1.672) 3.612 1.688 ( 0.405 1.487 0.951) 1.811 1.876 ( 1.326 -2.576 4.368) 5.241 2.140 ( 2.614 6.611 12.621) 14.485 2.208 ( -3.787 -2.452 -2.862) 5.343 2.422 ( -1.527 -2.019 1.633) 3.012 2.476 ( 5.053 -0.910 -1.461) 5.338 2.680 ( 4.143 -1.318 0.334) 4.360 3.024 ( 2.824 -0.570 -0.470) 2.919 3.140 ( -1.380 1.725 -5.317) 5.757 3.351 ( -4.080 -0.082 -4.644) 6.183 3.402 ( -3.010 1.871 0.415) 3.568 3.521 ( -8.427 -0.674 -1.111) 8.526 3.690 ( -4.440 -5.433 1.269) 7.130 3.754 ( -3.477 1.490 -3.501) 5.154 4.314 ( 3.267 -3.284 0.278) 4.640 4.411 ( -0.789 0.345 0.249) 0.896 4.550 ( 0.251 3.986 -0.964) 4.109 4.695 ( -2.430 5.602 -2.302) 6.526 5.020 ( -0.183 3.004 6.975) 7.596 5.367 ( -0.810 -0.435 -0.451) 1.024 5.473 ( -0.383 1.599 0.720) 1.795 5.624 ( -0.602 0.910 -2.071) 2.341 ======================= Grid point 208 (80/231) ======================= q-point: ( 0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.539 1.148 -1.553) 2.005 1.108 ( -0.161 -0.212 -0.319) 0.415 1.129 ( 0.460 -5.111 0.537) 5.160 1.213 ( -2.758 0.296 0.587) 2.835 1.296 ( 0.754 -0.448 -1.512) 1.748 1.335 ( -1.475 -0.311 0.093) 1.510 1.496 ( 4.179 -1.698 0.935) 4.607 1.615 ( 0.166 -3.052 -0.644) 3.123 1.663 ( 1.675 1.659 2.002) 3.093 1.880 ( 1.871 5.468 9.158) 10.829 2.007 ( -3.048 0.457 -2.250) 3.816 2.177 ( -12.399 2.634 3.039) 13.035 2.419 ( 5.700 8.443 -0.842) 10.221 2.511 ( 3.075 -6.681 2.309) 7.709 2.770 ( 1.520 -4.154 -0.792) 4.494 3.044 ( -0.728 -0.303 -2.712) 2.824 3.148 ( 2.395 -1.582 -0.233) 2.880 3.324 ( -2.069 -0.540 -3.997) 4.534 3.380 ( -0.801 -1.697 2.164) 2.864 3.547 ( -6.010 -4.331 -2.744) 7.899 3.706 ( -2.764 0.351 -3.480) 4.458 3.770 ( -4.684 -5.645 0.477) 7.350 4.347 ( 2.983 3.753 0.357) 4.807 4.392 ( 1.569 -0.669 0.441) 1.762 4.512 ( -1.372 0.156 -0.431) 1.447 4.593 ( -2.125 3.765 -1.823) 4.692 4.972 ( 0.359 2.492 6.663) 7.123 5.377 ( -0.213 -0.867 0.110) 0.900 5.440 ( -0.650 1.536 0.330) 1.700 5.611 ( -0.448 0.158 -2.393) 2.440 ======================= Grid point 209 (81/231) ======================= q-point: ( 0.62 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 2.426 7.514 -0.734) 7.930 1.143 ( 0.446 -2.954 0.241) 2.998 1.159 ( 0.145 -0.476 -1.422) 1.507 1.245 ( 1.801 -1.357 -1.376) 2.642 1.317 ( 2.123 -1.835 2.783) 3.953 1.363 ( 0.441 -2.820 -1.025) 3.032 1.552 ( 1.014 -0.646 2.631) 2.892 1.637 ( -0.190 1.482 1.758) 2.307 1.651 ( 2.730 -0.509 1.022) 2.959 1.769 ( -2.110 4.344 1.674) 5.111 2.015 ( -7.940 -0.893 1.315) 8.098 2.101 ( -6.402 -3.402 3.046) 7.864 2.279 ( 3.276 8.610 -0.085) 9.212 2.634 ( 0.961 -3.833 0.815) 4.035 2.830 ( 2.229 -1.882 1.345) 3.212 3.022 ( -1.038 2.385 -3.175) 4.104 3.162 ( -0.824 0.306 0.375) 0.956 3.380 ( 2.136 -4.004 -0.153) 4.541 3.462 ( 4.901 -5.659 1.367) 7.610 3.559 ( -2.228 -0.006 -7.849) 8.159 3.742 ( -5.220 -6.369 -1.916) 8.455 3.849 ( -3.628 -5.853 0.375) 6.897 4.268 ( 4.662 6.327 0.543) 7.877 4.405 ( -0.320 0.941 0.458) 1.095 4.513 ( -1.231 -0.676 0.007) 1.405 4.547 ( -0.508 -0.334 -1.919) 2.013 4.934 ( 0.135 1.752 6.387) 6.624 5.392 ( 0.389 -0.319 0.157) 0.526 5.416 ( -0.702 0.132 0.314) 0.780 5.613 ( -0.083 -0.563 -2.448) 2.513 ======================= Grid point 210 (82/231) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 1.496 -1.905 -0.713) 2.525 1.145 ( 0.742 1.186 -2.672) 3.016 1.225 ( 1.264 -3.880 1.136) 4.235 1.278 ( -0.191 -0.820 -1.081) 1.370 1.363 ( 1.623 -1.343 2.838) 3.535 1.398 ( 1.330 0.965 -0.847) 1.848 1.527 ( 1.424 1.214 3.023) 3.555 1.606 ( -4.780 -0.089 -0.496) 4.806 1.677 ( -1.477 1.417 -1.279) 2.413 1.740 ( 8.375 -1.617 6.980) 11.021 2.011 ( -7.556 -4.321 2.198) 8.978 2.147 ( -1.328 -2.105 1.740) 3.037 2.167 ( -0.292 3.833 1.045) 3.984 2.650 ( -0.938 1.486 0.478) 1.821 2.845 ( 1.972 3.411 4.403) 5.909 2.939 ( -0.551 4.790 -0.919) 4.908 3.193 ( 0.125 -4.694 -2.781) 5.458 3.435 ( 1.456 0.567 -4.592) 4.851 3.509 ( -1.426 -0.329 -4.370) 4.609 3.658 ( 5.743 -8.067 -0.773) 9.932 3.826 ( -1.272 -3.614 -1.965) 4.306 3.963 ( -3.239 -8.312 0.231) 8.924 4.182 ( 5.048 5.177 0.951) 7.293 4.339 ( -3.609 4.691 0.569) 5.946 4.530 ( 0.575 -1.727 -2.142) 2.811 4.594 ( -0.031 -3.965 -0.543) 4.003 4.918 ( 0.289 0.096 6.383) 6.391 5.387 ( 0.211 0.398 -0.144) 0.473 5.434 ( -0.172 -1.640 0.497) 1.723 5.627 ( 0.114 -0.841 -2.188) 2.347 ======================= Grid point 211 (83/231) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.122 -7.758 -0.610) 7.783 1.133 ( 1.199 2.043 -2.948) 3.782 1.206 ( -3.145 4.783 1.277) 5.865 1.285 ( -1.330 0.105 0.145) 1.342 1.330 ( 5.627 3.695 3.289) 7.492 1.431 ( -0.615 -2.894 1.342) 3.248 1.499 ( 1.833 5.157 -1.251) 5.614 1.608 ( 0.513 0.767 0.111) 0.930 1.633 ( -5.433 -2.649 -1.444) 6.215 1.861 ( 8.639 -4.091 8.911) 13.069 2.081 ( -2.675 -5.450 1.937) 6.372 2.141 ( -3.199 -1.648 1.437) 3.875 2.154 ( -0.075 0.069 1.616) 1.619 2.583 ( 0.253 5.206 3.167) 6.099 2.723 ( -1.206 8.739 2.778) 9.249 2.885 ( 0.194 0.371 1.199) 1.270 3.315 ( 1.611 -6.712 -4.336) 8.151 3.378 ( -0.559 4.272 -11.769) 12.533 3.524 ( -0.858 -1.181 0.083) 1.462 3.827 ( 2.033 -6.998 -0.668) 7.318 3.851 ( 1.091 0.652 -2.163) 2.508 4.008 ( 2.895 4.308 0.029) 5.190 4.201 ( -0.821 3.680 0.709) 3.837 4.235 ( -2.970 -6.009 0.662) 6.735 4.578 ( 0.319 -2.949 -2.355) 3.787 4.667 ( 0.015 -3.597 -1.789) 4.018 4.938 ( 0.999 -1.762 6.834) 7.128 5.388 ( 0.188 -0.427 -0.274) 0.542 5.464 ( -0.196 -1.598 0.666) 1.743 5.642 ( -0.013 -0.786 -1.766) 1.933 ======================= Grid point 212 (84/231) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -1.381 11.177 2.501) 11.536 1.108 ( -3.160 4.496 -1.846) 5.797 1.170 ( 0.484 -4.548 -2.671) 5.297 1.276 ( 5.258 3.421 1.882) 6.549 1.288 ( 0.876 4.029 -0.425) 4.145 1.383 ( 0.750 4.674 -0.257) 4.741 1.458 ( -1.021 -0.237 1.935) 2.200 1.587 ( -1.547 0.082 -1.755) 2.341 1.691 ( -1.576 -4.053 1.251) 4.525 1.905 ( 0.430 4.811 2.170) 5.295 2.071 ( 2.446 4.962 10.304) 11.695 2.194 ( 0.652 -3.755 1.966) 4.288 2.221 ( -1.064 -6.416 -0.164) 6.506 2.502 ( -0.017 2.732 5.668) 6.292 2.565 ( -0.701 6.116 -0.093) 6.157 2.914 ( 0.704 -1.520 1.990) 2.602 3.311 ( -2.040 0.335 -13.210) 13.371 3.411 ( 2.248 -1.806 -5.653) 6.346 3.540 ( -1.669 -1.119 0.968) 2.230 3.814 ( -0.271 3.363 -3.069) 4.560 3.885 ( -0.627 3.327 -0.188) 3.391 3.921 ( -0.578 4.599 0.183) 4.639 4.128 ( 1.150 -0.549 0.976) 1.605 4.399 ( -0.115 -8.899 0.074) 8.900 4.629 ( -2.041 -2.727 -2.344) 4.134 4.721 ( 1.290 -2.090 -4.353) 4.998 4.990 ( 1.534 -2.844 7.492) 8.160 5.401 ( -0.100 -0.827 -0.305) 0.887 5.490 ( -0.419 -1.391 1.401) 2.019 5.655 ( -0.319 -0.743 -1.500) 1.704 ======================= Grid point 213 (85/231) ======================= q-point: (-0.08 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -1.478 13.260 3.530) 13.801 0.972 ( -4.194 9.391 -2.324) 10.544 1.065 ( -2.425 10.586 -0.602) 10.877 1.180 ( 2.150 6.752 -1.593) 7.263 1.304 ( 0.765 -2.963 -4.769) 5.666 1.381 ( 1.472 1.460 -2.092) 2.945 1.442 ( 1.880 0.826 5.667) 6.028 1.587 ( -0.754 -0.707 -1.037) 1.464 1.686 ( 2.338 16.267 3.492) 16.801 1.751 ( -1.263 -2.119 1.339) 2.806 1.969 ( -1.003 6.634 9.902) 11.961 2.254 ( 1.065 -1.140 1.764) 2.355 2.303 ( -1.965 -2.184 -0.596) 2.997 2.465 ( 0.809 2.798 1.232) 3.162 2.540 ( 1.442 -3.171 3.741) 5.112 2.919 ( 1.466 0.333 -1.570) 2.174 3.345 ( -2.127 -2.657 -5.715) 6.652 3.444 ( 0.173 -2.339 -8.410) 8.731 3.521 ( -1.296 1.415 0.276) 1.938 3.711 ( -2.376 7.378 -1.436) 7.883 3.741 ( 0.985 8.933 -0.684) 9.013 3.893 ( -1.533 -1.763 -0.979) 2.533 4.185 ( 0.220 -2.735 1.045) 2.936 4.534 ( -1.829 -5.004 -1.126) 5.445 4.633 ( -3.265 -0.013 -4.913) 5.899 4.778 ( 3.929 -3.050 -5.134) 7.149 5.061 ( 1.902 -3.614 8.119) 9.089 5.414 ( -0.604 -0.704 -0.222) 0.954 5.513 ( -0.870 -1.604 2.972) 3.487 5.666 ( -0.519 -0.807 -1.549) 1.822 ======================= Grid point 217 (86/231) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 7.140 0.000 8.541) 11.132 0.626 ( 11.141 0.000 2.332) 11.383 0.947 ( 3.731 0.000 -1.333) 3.962 0.948 ( 7.578 0.000 -4.585) 8.857 1.024 ( -0.851 -0.000 0.720) 1.115 1.057 ( 6.770 0.000 3.839) 7.783 1.219 ( -11.821 -0.000 -2.847) 12.159 1.475 ( 1.334 0.000 4.799) 4.981 1.653 ( -1.007 -0.000 0.010) 1.007 1.660 ( -6.904 -0.000 5.123) 8.597 1.686 ( -1.473 -0.000 2.436) 2.846 1.981 ( -1.408 -0.000 -2.562) 2.923 1.999 ( -8.441 -0.000 0.228) 8.444 2.598 ( 3.616 0.000 1.203) 3.811 2.732 ( 2.903 0.000 -0.089) 2.904 2.848 ( -1.438 -0.000 8.762) 8.880 3.068 ( 3.301 0.000 -1.401) 3.586 3.370 ( 1.659 0.000 -6.742) 6.943 3.421 ( 8.984 0.000 0.570) 9.002 3.654 ( 5.170 0.000 0.895) 5.247 3.721 ( 4.019 0.000 -10.424) 11.171 3.971 ( -5.063 -0.000 -7.280) 8.868 4.127 ( -2.038 -0.000 -0.285) 2.058 4.165 ( 0.105 0.000 0.373) 0.387 4.799 ( 3.013 0.000 -1.536) 3.382 4.976 ( -2.338 -0.000 -0.301) 2.358 5.234 ( 0.148 0.000 -1.422) 1.430 5.447 ( -0.834 -0.000 1.751) 1.939 5.567 ( 0.071 0.000 4.030) 4.030 5.707 ( -0.263 -0.000 -0.504) 0.568 ======================= Grid point 218 (87/231) ======================= q-point: ( 0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 6.090 7.025 1.170) 9.371 0.748 ( 9.845 -0.307 4.415) 10.794 0.939 ( 6.451 0.356 0.019) 6.461 1.006 ( 3.734 -6.154 -2.388) 7.584 1.094 ( -2.576 -1.062 -1.875) 3.358 1.251 ( -7.586 -12.499 -6.588) 16.037 1.255 ( 5.948 -10.884 3.804) 12.973 1.500 ( 2.652 -1.147 5.450) 6.169 1.571 ( -6.706 0.938 6.064) 9.090 1.652 ( -1.299 0.458 -1.176) 1.811 1.713 ( -0.994 -1.380 3.435) 3.833 2.004 ( -3.319 -6.187 -0.790) 7.066 2.048 ( -3.071 -7.044 0.946) 7.742 2.654 ( 3.948 -1.644 -0.653) 4.326 2.716 ( -0.512 2.071 0.196) 2.143 2.912 ( -1.164 -5.632 6.375) 8.586 3.147 ( 0.420 -5.810 -0.063) 5.825 3.369 ( 1.450 0.574 -4.292) 4.566 3.488 ( 7.330 -0.882 -0.685) 7.414 3.693 ( 5.134 3.490 -3.283) 7.023 3.762 ( -2.085 0.019 -7.519) 7.803 3.772 ( -2.302 4.975 -1.981) 5.829 4.106 ( -1.632 2.941 0.741) 3.444 4.252 ( -4.135 -6.689 -2.818) 8.354 4.815 ( 2.859 0.860 -2.291) 3.763 4.950 ( -1.446 1.476 0.966) 2.281 5.215 ( -0.653 2.076 -0.562) 2.248 5.422 ( -1.421 1.804 1.410) 2.695 5.558 ( 0.817 1.225 2.628) 3.013 5.695 ( 0.228 1.083 -0.872) 1.409 ======================= Grid point 219 (88/231) ======================= q-point: ( 0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 7.697 -11.263 -1.325) 13.706 0.833 ( 8.589 -3.495 3.051) 9.762 0.971 ( 2.377 -2.156 0.198) 3.216 1.076 ( -2.938 -1.910 -0.850) 3.606 1.167 ( 1.384 -5.172 -2.157) 5.772 1.406 ( -2.869 -0.845 2.102) 3.655 1.419 ( -0.878 -7.700 -3.861) 8.658 1.520 ( -8.334 -2.054 2.870) 9.050 1.598 ( 2.713 -5.426 -0.626) 6.099 1.677 ( -1.618 -3.851 -2.291) 4.764 1.781 ( -0.223 -8.962 10.132) 13.528 2.147 ( 1.563 -8.560 1.453) 8.822 2.196 ( 1.158 -9.183 2.349) 9.549 2.638 ( 2.704 6.989 1.153) 7.582 2.692 ( 0.441 -0.873 -0.926) 1.347 2.995 ( -1.095 -3.707 0.647) 3.919 3.236 ( -0.897 -2.846 -0.068) 2.985 3.369 ( 0.871 0.610 -1.300) 1.679 3.459 ( 0.362 7.384 -0.870) 7.444 3.573 ( -0.762 2.548 -3.320) 4.254 3.711 ( -0.183 -0.154 -6.837) 6.841 3.777 ( -6.072 4.153 -0.553) 7.377 4.117 ( 2.061 -5.519 1.012) 5.977 4.318 ( -4.462 -3.835 -2.222) 6.289 4.773 ( 2.041 5.216 -2.273) 6.045 4.902 ( -0.052 3.773 -0.111) 3.775 5.149 ( -2.394 3.836 3.682) 5.832 5.381 ( -1.154 1.501 -0.520) 1.964 5.534 ( 0.685 1.750 1.619) 2.480 5.672 ( 0.154 1.458 -1.238) 1.919 ======================= Grid point 220 (89/231) ======================= q-point: ( 0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 4.484 -12.642 -0.040) 13.414 0.950 ( 4.799 -4.174 0.342) 6.370 1.041 ( 1.206 -3.913 0.428) 4.117 1.120 ( -3.195 -4.754 -1.038) 5.821 1.241 ( -1.012 -3.282 -0.169) 3.439 1.365 ( -5.735 2.428 -0.031) 6.228 1.447 ( -5.951 -0.130 -0.551) 5.978 1.528 ( 2.983 -2.327 0.697) 3.847 1.678 ( -0.898 -2.212 0.076) 2.388 1.803 ( 1.555 -6.321 -0.085) 6.510 1.987 ( -3.044 -13.012 8.368) 15.767 2.289 ( 4.163 -3.115 2.280) 5.677 2.385 ( 4.734 -9.188 1.716) 10.477 2.475 ( -1.003 10.375 0.617) 10.442 2.707 ( 1.563 0.022 -1.026) 1.870 3.039 ( 2.154 -1.037 -1.768) 2.974 3.196 ( -0.921 5.165 -1.359) 5.420 3.341 ( -0.039 0.935 -3.170) 3.305 3.401 ( -1.740 0.789 0.821) 2.079 3.520 ( -6.994 2.244 -2.655) 7.810 3.617 ( -5.850 3.539 0.600) 6.863 3.742 ( -1.733 -1.360 -4.597) 5.097 4.251 ( 2.807 -5.730 0.516) 6.401 4.362 ( -2.646 -3.398 -0.768) 4.375 4.663 ( 1.304 7.010 -1.418) 7.269 4.800 ( -1.161 6.646 -1.859) 6.998 5.071 ( -1.884 2.972 6.699) 7.567 5.360 ( -0.768 0.254 -1.109) 1.373 5.504 ( 0.163 1.854 1.063) 2.143 5.644 ( -0.186 1.500 -1.647) 2.235 ======================= Grid point 221 (90/231) ======================= q-point: ( 0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 1.430 -9.705 0.848) 9.847 1.030 ( 0.948 -2.990 -2.821) 4.219 1.110 ( 0.053 -2.200 1.076) 2.450 1.186 ( -2.902 -2.610 1.581) 4.211 1.261 ( -1.538 -0.481 -0.510) 1.690 1.308 ( -3.015 -1.312 0.518) 3.328 1.483 ( 0.246 -4.244 -2.050) 4.719 1.565 ( 0.948 -0.994 1.524) 2.052 1.689 ( 0.060 0.502 0.119) 0.520 1.893 ( 1.220 -3.586 2.563) 4.574 2.143 ( -7.396 -0.276 -2.188) 7.718 2.187 ( 5.228 12.163 10.936) 17.171 2.394 ( -2.250 -4.506 0.257) 5.043 2.542 ( 5.486 -1.728 -0.978) 5.835 2.714 ( 1.675 -1.061 -2.045) 2.848 3.056 ( 2.981 1.080 -0.766) 3.262 3.139 ( 0.921 0.164 -1.036) 1.396 3.302 ( -4.306 1.204 -3.214) 5.507 3.376 ( -1.367 1.438 0.040) 1.985 3.436 ( -6.288 -1.858 -0.603) 6.584 3.634 ( -5.134 -5.574 0.453) 7.592 3.731 ( -0.665 1.625 -4.078) 4.440 4.345 ( 2.052 -3.145 0.293) 3.767 4.403 ( -0.499 -1.358 0.002) 1.447 4.551 ( -0.161 5.055 -0.462) 5.078 4.669 ( -1.727 5.901 -2.098) 6.497 5.019 ( -0.353 2.285 6.989) 7.362 5.360 ( -0.448 -0.619 -0.458) 0.891 5.469 ( -0.294 1.863 0.640) 1.991 5.619 ( -0.302 1.006 -2.116) 2.362 ======================= Grid point 222 (91/231) ======================= q-point: ( 0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.338 0.136 -1.200) 1.254 1.094 ( -1.471 -2.416 -1.415) 3.163 1.145 ( 1.832 -2.505 1.218) 3.334 1.195 ( -0.566 -1.113 1.935) 2.302 1.300 ( 0.309 -3.147 -1.714) 3.597 1.327 ( -0.179 -1.125 0.813) 1.399 1.547 ( 3.956 -0.678 1.625) 4.330 1.610 ( -0.784 -3.476 -1.938) 4.056 1.677 ( 0.506 0.492 0.517) 0.875 1.904 ( -3.095 11.296 -1.692) 11.834 1.974 ( 0.939 -3.083 3.128) 4.492 2.052 ( -7.062 6.194 8.034) 12.361 2.479 ( 4.348 9.034 -0.761) 10.055 2.534 ( 0.663 -7.529 1.560) 7.717 2.773 ( -0.833 -3.852 -2.662) 4.756 3.040 ( 0.380 1.054 -1.992) 2.285 3.168 ( 0.832 -0.589 1.119) 1.514 3.304 ( -1.310 -4.040 -1.173) 4.406 3.396 ( 3.110 -3.587 0.567) 4.781 3.484 ( -4.580 -5.301 -1.586) 7.183 3.678 ( -2.463 0.898 -5.197) 5.821 3.728 ( -2.217 -5.053 0.768) 5.571 4.374 ( 1.751 2.484 0.365) 3.061 4.408 ( 1.181 -0.453 0.135) 1.272 4.492 ( -2.140 0.572 0.284) 2.233 4.578 ( -0.490 3.354 -2.133) 4.005 4.977 ( 0.006 2.426 6.714) 7.139 5.375 ( -0.055 -1.160 0.153) 1.171 5.434 ( -0.408 1.655 0.337) 1.737 5.607 ( -0.143 0.084 -2.445) 2.450 ======================= Grid point 223 (92/231) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 2.207 6.880 -0.071) 7.225 1.148 ( -0.212 -2.564 -1.302) 2.883 1.151 ( -0.892 -1.930 -1.437) 2.566 1.258 ( 0.605 -2.430 -0.030) 2.505 1.341 ( 1.382 -0.980 1.390) 2.191 1.379 ( 2.352 -3.674 -0.652) 4.411 1.541 ( -4.863 1.243 0.980) 5.114 1.605 ( -3.126 2.400 -0.492) 3.971 1.691 ( 0.801 0.348 -0.544) 1.029 1.782 ( 5.416 0.417 0.123) 5.433 1.915 ( -5.668 0.941 9.515) 11.115 2.084 ( 1.295 -4.651 2.798) 5.580 2.308 ( 1.447 10.027 -0.099) 10.131 2.628 ( -1.490 -2.936 -0.853) 3.401 2.844 ( 0.024 -3.541 1.280) 3.765 3.019 ( 0.619 2.472 -2.105) 3.306 3.153 ( -0.810 0.805 0.552) 1.268 3.400 ( 1.207 -4.913 0.489) 5.082 3.486 ( -2.147 -2.421 -4.285) 5.369 3.566 ( 4.404 -4.729 -3.995) 7.597 3.694 ( -2.415 -6.409 -0.218) 6.852 3.819 ( -1.666 -5.657 -0.449) 5.914 4.310 ( 2.400 5.168 0.542) 5.724 4.394 ( -1.394 2.577 0.273) 2.942 4.504 ( -0.233 -2.033 -0.314) 2.070 4.542 ( -0.076 -0.236 -1.589) 1.608 4.937 ( -0.073 1.724 6.411) 6.639 5.398 ( 0.639 -0.542 0.243) 0.873 5.408 ( -0.719 0.182 0.277) 0.792 5.612 ( 0.012 -0.657 -2.473) 2.559 ======================= Grid point 224 (93/231) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 1.828 -1.064 0.029) 2.115 1.131 ( -3.053 0.054 -4.421) 5.373 1.234 ( 0.120 -3.722 0.660) 3.782 1.269 ( -0.755 1.489 0.749) 1.830 1.376 ( -0.856 -2.716 1.951) 3.452 1.421 ( 2.999 2.032 0.020) 3.623 1.520 ( -6.656 -3.592 -0.331) 7.570 1.555 ( 1.272 1.248 0.971) 2.029 1.659 ( -1.479 2.643 -1.035) 3.201 1.863 ( 10.993 -1.324 9.457) 14.561 1.937 ( -4.295 -6.405 1.092) 7.788 2.149 ( 1.503 0.455 1.697) 2.312 2.167 ( -0.005 3.277 2.134) 3.911 2.646 ( 0.099 0.410 0.342) 0.543 2.834 ( -3.553 4.527 2.544) 6.292 2.953 ( 2.848 4.998 0.742) 5.801 3.185 ( -1.548 -5.833 -3.393) 6.923 3.442 ( 0.090 2.269 -7.597) 7.929 3.492 ( -1.422 -2.048 -1.806) 3.078 3.690 ( -0.776 -7.170 -2.139) 7.523 3.833 ( 2.925 -4.446 -0.025) 5.322 3.939 ( -0.552 -9.308 -0.070) 9.325 4.217 ( -0.349 5.210 0.741) 5.274 4.309 ( -0.391 5.482 0.445) 5.514 4.534 ( 0.298 -1.735 -2.466) 3.030 4.593 ( -0.255 -4.111 -0.166) 4.123 4.923 ( 0.303 -0.251 6.377) 6.390 5.389 ( 0.176 0.439 -0.078) 0.479 5.432 ( -0.184 -1.707 0.441) 1.773 5.626 ( -0.072 -0.848 -2.218) 2.376 ======================= Grid point 225 (94/231) ======================= q-point: (-0.15 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 1.381 -6.477 -0.116) 6.624 1.130 ( -2.001 -0.844 -3.739) 4.324 1.175 ( -1.674 7.232 1.172) 7.515 1.272 ( -1.057 -1.279 0.905) 1.890 1.386 ( 2.586 1.985 3.813) 5.017 1.434 ( 2.061 -1.382 1.733) 3.027 1.505 ( -1.398 4.106 -1.149) 4.487 1.562 ( -5.759 -0.523 -2.966) 6.499 1.614 ( 0.489 -1.424 0.393) 1.556 1.927 ( 1.557 -1.406 11.067) 11.265 2.062 ( -0.106 -5.914 -2.015) 6.249 2.137 ( 3.030 -2.384 1.626) 4.184 2.171 ( 2.588 0.474 4.300) 5.041 2.599 ( 2.375 5.539 3.651) 7.046 2.691 ( -4.439 7.459 1.208) 8.763 2.899 ( 2.250 0.861 1.885) 3.058 3.302 ( -3.462 -4.730 -7.051) 9.169 3.381 ( 1.303 1.736 -10.573) 10.794 3.509 ( -1.803 -0.727 0.831) 2.114 3.801 ( -4.210 -5.006 -1.748) 6.770 3.874 ( 0.765 -0.543 -1.383) 1.671 4.010 ( -2.766 4.627 0.071) 5.391 4.190 ( 0.131 0.779 0.744) 1.085 4.244 ( 3.470 -3.860 0.688) 5.236 4.572 ( -1.095 -2.383 -2.408) 3.561 4.666 ( -0.088 -3.859 -1.509) 4.144 4.951 ( 0.781 -2.171 6.748) 7.131 5.389 ( -0.039 -0.339 -0.250) 0.423 5.461 ( -0.278 -1.544 0.612) 1.683 5.639 ( -0.348 -0.721 -1.850) 2.015 ======================= Grid point 226 (95/231) ======================= q-point: (-0.08 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.972 11.391 2.004) 11.607 1.075 ( -2.323 4.214 -0.999) 4.915 1.161 ( -1.770 -1.591 -2.251) 3.276 1.292 ( 0.068 2.963 -1.465) 3.306 1.330 ( 2.545 5.651 0.814) 6.251 1.396 ( 1.993 1.626 0.409) 2.604 1.457 ( 1.090 0.092 2.595) 2.817 1.554 ( -4.231 -1.676 -2.398) 5.144 1.673 ( -1.335 -4.131 0.701) 4.398 1.899 ( -1.278 5.422 3.345) 6.498 2.091 ( 0.776 3.481 11.836) 12.362 2.212 ( 1.597 -4.034 0.187) 4.342 2.237 ( 3.982 -3.483 0.753) 5.344 2.515 ( 1.642 3.501 4.777) 6.147 2.554 ( -0.803 4.176 0.299) 4.263 2.930 ( 1.931 -0.811 1.850) 2.795 3.274 ( -3.685 -0.577 -13.126) 13.646 3.426 ( 0.585 -1.229 -6.975) 7.107 3.515 ( -2.719 -1.386 1.742) 3.514 3.787 ( -4.196 1.923 -3.338) 5.696 3.847 ( -5.329 5.856 0.464) 7.931 3.904 ( -2.245 1.641 -0.043) 2.781 4.164 ( 4.412 0.783 0.784) 4.549 4.404 ( 0.830 -8.185 0.121) 8.228 4.598 ( -2.992 -1.485 -2.386) 4.105 4.733 ( 0.768 -3.391 -3.593) 5.000 5.008 ( 1.091 -3.229 7.242) 8.004 5.397 ( -0.581 -0.619 -0.351) 0.919 5.485 ( -0.422 -1.261 1.287) 1.851 5.649 ( -0.567 -0.697 -1.657) 1.885 ======================= Grid point 231 (96/231) ======================= q-point: ( 0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 1.485 0.000 3.203) 3.531 0.737 ( 8.182 0.000 0.630) 8.206 0.966 ( -0.217 -0.000 0.300) 0.370 0.990 ( 3.189 0.000 -9.133) 9.673 1.047 ( 4.805 0.000 -0.905) 4.890 1.114 ( -3.393 -0.000 -3.572) 4.926 1.162 ( 5.140 0.000 8.202) 9.679 1.506 ( 2.538 0.000 5.717) 6.256 1.599 ( -2.736 -0.000 7.923) 8.382 1.639 ( -1.320 -0.000 0.005) 1.320 1.678 ( 0.161 0.000 1.930) 1.936 1.900 ( -8.864 -0.000 0.370) 8.872 1.954 ( -3.090 -0.000 -2.346) 3.879 2.640 ( 3.583 0.000 1.124) 3.755 2.716 ( -3.699 -0.000 2.221) 4.315 2.868 ( 2.693 0.000 6.996) 7.496 3.103 ( 2.887 0.000 -0.990) 3.052 3.394 ( 2.843 0.000 -8.128) 8.610 3.528 ( 9.402 0.000 0.455) 9.413 3.690 ( 1.411 0.000 -2.822) 3.155 3.765 ( 4.130 0.000 -5.304) 6.722 3.900 ( -6.955 -0.000 -5.429) 8.823 4.097 ( -3.041 -0.000 -0.138) 3.044 4.166 ( 0.021 0.000 0.120) 0.122 4.825 ( 1.390 0.000 -2.397) 2.771 4.954 ( -1.196 -0.000 3.315) 3.524 5.234 ( -0.139 -0.000 -2.868) 2.871 5.432 ( -1.756 -0.000 1.663) 2.418 5.577 ( 1.401 0.000 1.983) 2.428 5.708 ( 0.374 0.000 -0.652) 0.752 ======================= Grid point 232 (97/231) ======================= q-point: ( 0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 7.383 3.483 -2.221) 8.460 0.841 ( 6.186 -1.347 0.803) 6.381 1.010 ( 6.331 2.992 1.100) 7.089 1.060 ( -3.346 0.836 -3.988) 5.272 1.077 ( 8.211 -8.010 1.884) 11.625 1.154 ( -8.153 -12.638 -5.000) 15.849 1.311 ( 3.099 -9.232 3.882) 10.483 1.463 ( -6.862 3.459 3.281) 8.356 1.567 ( 2.643 -0.396 5.216) 5.861 1.642 ( -0.324 0.202 -1.083) 1.148 1.706 ( -0.551 -1.309 4.383) 4.607 1.960 ( -3.497 -10.257 0.973) 10.880 2.028 ( -0.959 -8.635 1.180) 8.768 2.665 ( -1.656 -0.411 0.045) 1.707 2.726 ( 2.134 -0.826 0.862) 2.445 2.904 ( -0.548 -3.271 6.597) 7.384 3.159 ( 1.366 -4.008 -0.239) 4.241 3.395 ( 3.371 1.291 -5.895) 6.912 3.566 ( 5.825 0.617 -2.283) 6.286 3.703 ( -3.755 12.128 -4.066) 13.331 3.752 ( 0.904 1.771 -6.012) 6.333 3.758 ( 0.501 -2.047 -0.219) 2.119 4.094 ( -0.397 1.288 0.885) 1.612 4.203 ( -4.318 -5.143 -1.670) 6.919 4.833 ( 0.264 0.585 -2.736) 2.810 4.947 ( 0.942 0.840 3.502) 3.722 5.202 ( -1.584 3.041 -1.143) 3.614 5.405 ( -1.556 1.592 0.434) 2.268 5.572 ( 1.383 1.463 1.327) 2.411 5.699 ( 0.494 1.115 -0.741) 1.427 ======================= Grid point 233 (98/231) ======================= q-point: ( 0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 9.561 -9.108 -2.316) 13.406 0.924 ( 6.231 -3.895 0.997) 7.416 1.013 ( 5.311 0.468 3.021) 6.128 1.032 ( -4.049 -1.531 -4.306) 6.106 1.184 ( 0.220 -2.843 -1.388) 3.171 1.349 ( -5.459 -1.839 -0.476) 5.780 1.413 ( -5.022 -1.967 2.238) 5.839 1.435 ( -1.409 -8.011 2.892) 8.633 1.615 ( 0.475 -3.693 -0.361) 3.740 1.679 ( 1.532 -6.078 -1.828) 6.529 1.771 ( -1.726 -6.728 8.067) 10.645 2.166 ( 1.528 -11.226 1.056) 11.379 2.216 ( 1.771 -10.506 2.815) 11.019 2.634 ( -2.195 3.854 -0.656) 4.484 2.715 ( 2.519 2.217 1.590) 3.713 2.982 ( -1.006 -4.943 1.555) 5.279 3.233 ( 0.247 -2.310 0.241) 2.336 3.391 ( 3.014 1.047 -1.990) 3.760 3.463 ( -0.028 10.085 -2.358) 10.357 3.566 ( -0.024 3.712 -2.615) 4.541 3.694 ( -5.269 5.032 -4.355) 8.488 3.713 ( -2.069 2.115 -2.666) 3.983 4.152 ( 3.664 -5.932 0.797) 7.018 4.268 ( -4.318 -4.774 -1.310) 6.569 4.786 ( 0.514 4.676 -2.267) 5.222 4.909 ( 1.386 4.737 0.672) 4.981 5.116 ( -3.464 3.831 3.715) 6.362 5.370 ( -0.649 1.256 -1.175) 1.839 5.544 ( 0.853 2.153 1.068) 2.551 5.675 ( 0.299 1.699 -1.046) 2.017 ======================= Grid point 234 (99/231) ======================= q-point: ( 0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 5.292 -9.854 -0.722) 11.209 1.003 ( 2.614 -1.578 -2.976) 4.264 1.058 ( 2.250 -2.487 1.725) 3.771 1.096 ( 0.189 -5.963 1.881) 6.256 1.224 ( -2.341 -2.529 -0.659) 3.508 1.299 ( -5.613 2.545 0.904) 6.229 1.385 ( -4.369 -3.358 0.704) 5.556 1.560 ( 2.192 -1.708 0.353) 2.802 1.677 ( 0.787 -2.376 -0.780) 2.622 1.808 ( -0.520 -5.868 0.976) 5.971 1.959 ( -1.863 -13.054 6.684) 14.783 2.313 ( -0.713 -3.764 0.019) 3.831 2.437 ( 4.357 -10.766 -0.173) 11.616 2.475 ( 1.180 12.115 2.550) 12.436 2.711 ( -0.935 -0.658 -0.475) 1.238 3.060 ( 1.917 -3.120 -1.186) 3.849 3.198 ( 0.904 5.007 0.208) 5.093 3.359 ( 3.360 3.644 -2.175) 5.413 3.392 ( 0.162 2.530 0.114) 2.537 3.436 ( -7.229 4.753 -2.637) 9.044 3.550 ( -5.801 1.833 0.992) 6.164 3.730 ( -0.330 -1.421 -5.665) 5.850 4.278 ( 1.819 -5.154 0.306) 5.475 4.338 ( -1.482 -4.561 -0.430) 4.815 4.675 ( 0.740 7.311 -1.323) 7.466 4.789 ( -0.717 7.661 -1.627) 7.865 5.050 ( -1.939 1.775 6.744) 7.238 5.354 ( -0.163 0.256 -1.175) 1.213 5.506 ( 0.232 2.218 0.891) 2.402 5.643 ( 0.098 1.712 -1.554) 2.314 ======================= Grid point 235 (100/231) ======================= q-point: ( 0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.485 -7.335 0.038) 7.351 1.044 ( 1.187 -1.880 -2.764) 3.547 1.099 ( -0.737 -1.753 0.972) 2.136 1.187 ( 2.562 -2.688 4.149) 5.568 1.249 ( -0.659 -1.397 -0.008) 1.545 1.278 ( -2.168 -2.915 0.509) 3.669 1.481 ( -0.495 -7.714 -1.361) 7.849 1.573 ( 0.594 0.249 0.851) 1.067 1.690 ( -0.052 0.707 -0.580) 0.916 1.902 ( 0.238 -4.505 2.196) 5.017 2.043 ( -9.617 5.556 -3.014) 11.508 2.263 ( 7.295 12.343 10.122) 17.551 2.376 ( -0.926 -7.755 0.129) 7.811 2.590 ( 2.817 -1.434 -1.648) 3.565 2.716 ( -1.247 -1.044 -3.089) 3.491 3.094 ( 3.482 2.837 0.320) 4.503 3.149 ( 0.499 -0.800 0.445) 1.043 3.255 ( -3.405 2.112 -2.314) 4.627 3.376 ( 1.490 -0.148 -0.282) 1.524 3.387 ( -2.014 -1.981 -0.324) 2.844 3.582 ( -3.693 -5.717 -0.074) 6.807 3.730 ( 0.426 1.385 -4.380) 4.614 4.360 ( 0.686 -3.132 0.302) 3.220 4.400 ( -0.067 -2.184 -0.236) 2.197 4.546 ( -0.504 6.126 -0.095) 6.147 4.658 ( -0.145 5.651 -2.024) 6.004 5.015 ( -0.783 1.699 6.938) 7.186 5.357 ( 0.019 -0.636 -0.408) 0.755 5.467 ( -0.067 2.049 0.615) 2.140 5.617 ( 0.127 1.093 -2.085) 2.358 ======================= Grid point 236 (101/231) ======================= q-point: (-0.31 -0.69 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.244 -1.229 -0.116) 1.258 1.082 ( -0.606 -2.750 -2.453) 3.735 1.168 ( 1.882 -1.890 0.536) 2.721 1.198 ( 1.064 0.300 3.056) 3.250 1.310 ( 1.595 -4.360 -1.162) 4.785 1.327 ( 0.036 -2.556 1.985) 3.236 1.562 ( -2.235 2.013 0.713) 3.092 1.609 ( 0.755 -2.255 -2.045) 3.137 1.671 ( -1.629 -1.487 -0.656) 2.301 1.793 ( -10.805 7.039 -3.928) 13.481 1.992 ( -0.872 -2.886 3.180) 4.382 2.091 ( 11.674 10.009 10.525) 18.634 2.502 ( -1.023 7.536 -1.086) 7.683 2.534 ( 0.141 -4.930 0.460) 4.953 2.756 ( -1.782 -4.348 -2.550) 5.346 3.046 ( 0.259 1.793 -1.222) 2.185 3.176 ( 1.123 0.205 0.735) 1.358 3.291 ( -0.982 -5.893 -0.332) 5.983 3.415 ( -1.346 -2.899 -1.559) 3.556 3.476 ( 4.617 -6.864 1.108) 8.347 3.648 ( -2.197 -1.045 -4.405) 5.032 3.722 ( 0.813 -2.799 -0.804) 3.023 4.386 ( 0.168 1.607 0.425) 1.671 4.417 ( 0.062 0.331 -0.216) 0.400 4.472 ( -0.879 0.474 0.490) 1.112 4.580 ( 0.832 3.268 -2.074) 3.958 4.975 ( -0.685 2.255 6.716) 7.118 5.375 ( 0.014 -1.227 0.171) 1.239 5.432 ( 0.117 1.705 0.367) 1.748 5.606 ( 0.225 0.121 -2.422) 2.435 ======================= Grid point 237 (102/231) ======================= q-point: (-0.23 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 2.458 6.817 0.753) 7.285 1.127 ( -2.032 1.626 -3.371) 4.259 1.153 ( 0.257 -4.498 -0.337) 4.518 1.258 ( -1.154 -2.364 1.424) 2.991 1.330 ( -4.222 0.538 -0.499) 4.285 1.414 ( 3.591 -4.518 1.040) 5.864 1.454 ( -6.538 0.844 -1.719) 6.813 1.589 ( -0.631 1.525 2.183) 2.737 1.682 ( -1.405 1.059 -1.366) 2.227 1.801 ( -1.841 -6.470 -0.311) 6.735 1.950 ( 8.009 3.863 7.867) 11.872 2.131 ( 7.557 -2.651 5.790) 9.882 2.308 ( -1.383 10.152 -0.313) 10.250 2.608 ( -2.039 -3.260 -1.885) 4.282 2.828 ( -2.940 -3.048 1.290) 4.427 3.033 ( 1.436 0.363 -2.596) 2.989 3.147 ( 0.342 2.996 1.112) 3.214 3.401 ( -1.390 -5.911 0.185) 6.075 3.447 ( -3.242 -1.680 -3.951) 5.380 3.603 ( 1.220 -1.909 -5.825) 6.250 3.710 ( 5.381 -9.346 2.445) 11.058 3.812 ( 0.393 -5.064 -1.262) 5.234 4.311 ( -2.511 5.333 0.548) 5.920 4.386 ( 0.236 2.649 0.106) 2.662 4.506 ( 0.318 -2.846 -0.293) 2.879 4.546 ( 0.815 0.625 -1.540) 1.851 4.935 ( -0.447 1.426 6.410) 6.582 5.399 ( -0.646 -1.010 0.304) 1.237 5.408 ( 0.828 0.682 0.236) 1.099 5.612 ( 0.140 -0.563 -2.467) 2.534 ======================= Grid point 238 (103/231) ======================= q-point: (-0.15 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 0.624 -1.294 0.461) 1.509 1.088 ( -3.323 -0.079 -3.848) 5.085 1.229 ( -0.988 -3.286 -0.008) 3.431 1.261 ( -1.051 1.547 1.969) 2.716 1.337 ( -5.460 -4.041 -0.176) 6.795 1.421 ( -2.592 0.639 -0.613) 2.739 1.498 ( 3.178 -1.364 2.644) 4.353 1.579 ( 2.286 -0.103 1.230) 2.598 1.640 ( -1.915 2.743 -1.168) 3.543 1.880 ( -3.255 -3.694 7.361) 8.856 1.998 ( 8.083 -2.440 -0.249) 8.446 2.161 ( 0.022 3.805 0.867) 3.903 2.201 ( 7.369 0.179 5.779) 9.366 2.644 ( -1.466 -1.594 -1.355) 2.555 2.782 ( -4.734 5.130 2.489) 7.411 2.998 ( 4.798 6.477 2.078) 8.324 3.157 ( -2.948 -6.412 -4.659) 8.457 3.431 ( -1.854 1.777 -8.507) 8.887 3.473 ( -1.899 -2.634 0.582) 3.299 3.660 ( -3.194 -5.607 -2.556) 6.941 3.864 ( 1.371 -1.820 -1.309) 2.628 3.959 ( 4.061 -9.997 0.448) 10.800 4.175 ( -5.631 5.625 0.903) 8.010 4.331 ( 2.992 4.077 0.423) 5.074 4.537 ( 0.386 -0.873 -2.492) 2.668 4.587 ( -0.725 -4.172 0.024) 4.234 4.927 ( 0.088 -0.624 6.337) 6.368 5.391 ( 0.035 0.448 0.015) 0.450 5.431 ( -0.105 -1.576 0.360) 1.620 5.624 ( -0.195 -0.697 -2.269) 2.381 ======================= Grid point 239 (104/231) ======================= q-point: (-0.08 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 1.742 -4.888 0.064) 5.189 1.099 ( -2.421 -2.587 -1.628) 3.899 1.165 ( -0.701 7.634 -1.414) 7.795 1.263 ( -0.501 -2.251 1.658) 2.840 1.384 ( -2.272 -1.995 1.427) 3.343 1.437 ( -5.296 -4.711 -0.660) 7.119 1.486 ( 0.718 5.239 0.753) 5.341 1.530 ( 0.726 4.502 0.272) 4.569 1.622 ( 0.745 -1.084 0.101) 1.319 1.918 ( -2.403 -1.524 11.269) 11.623 2.061 ( -0.223 -2.603 -3.198) 4.130 2.188 ( 4.266 -3.156 1.791) 5.601 2.231 ( 7.984 0.412 5.210) 9.542 2.623 ( -6.205 3.299 -1.060) 7.107 2.639 ( 3.062 7.284 4.462) 9.074 2.935 ( 3.895 1.480 2.421) 4.819 3.248 ( -5.245 -2.805 -8.824) 10.641 3.388 ( 0.216 -0.206 -9.115) 9.120 3.483 ( -2.820 -0.344 1.135) 3.059 3.744 ( -5.492 -4.550 -1.285) 7.247 3.861 ( -2.959 0.952 -2.413) 3.935 3.956 ( -5.982 6.267 0.690) 8.691 4.214 ( 3.568 -4.742 0.736) 5.980 4.292 ( 4.325 -0.171 0.514) 4.358 4.555 ( -1.566 -1.384 -2.124) 2.980 4.662 ( -0.736 -4.231 -1.332) 4.497 4.959 ( 0.310 -2.438 6.620) 7.062 5.388 ( -0.247 -0.124 -0.171) 0.325 5.458 ( -0.335 -1.484 0.523) 1.609 5.634 ( -0.577 -0.613 -1.986) 2.157 ======================= Grid point 245 (105/231) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -0.976 -0.000 -2.733) 2.902 0.811 ( 4.781 0.000 0.065) 4.782 0.959 ( -0.787 -0.000 0.417) 0.891 1.034 ( 2.420 0.000 -6.499) 6.935 1.079 ( -0.234 -0.000 0.673) 0.713 1.111 ( 5.709 0.000 -1.622) 5.935 1.220 ( 4.655 0.000 6.365) 7.886 1.476 ( -6.219 -0.000 2.072) 6.555 1.624 ( -1.216 -0.000 -0.040) 1.217 1.626 ( 3.442 0.000 5.714) 6.670 1.705 ( 4.538 0.000 5.850) 7.404 1.805 ( -7.474 -0.000 0.562) 7.495 1.916 ( -2.768 -0.000 0.355) 2.791 2.673 ( -3.699 -0.000 3.438) 5.050 2.676 ( 2.643 0.000 1.073) 2.853 2.891 ( 1.060 0.000 5.529) 5.630 3.132 ( 2.109 0.000 -0.571) 2.185 3.428 ( 3.239 0.000 -10.222) 10.723 3.627 ( 7.721 0.000 0.262) 7.726 3.699 ( 0.791 0.000 -3.954) 4.032 3.805 ( 2.145 0.000 -2.591) 3.363 3.815 ( -6.795 -0.000 -4.591) 8.201 4.060 ( -3.270 -0.000 0.166) 3.274 4.165 ( -0.191 -0.000 -0.228) 0.297 4.827 ( -0.820 -0.000 -2.339) 2.478 4.956 ( 1.266 0.000 5.194) 5.346 5.228 ( -0.831 -0.000 -3.007) 3.120 5.412 ( -1.724 -0.000 0.242) 1.741 5.596 ( 1.663 0.000 0.963) 1.921 5.714 ( 0.631 0.000 -0.505) 0.809 ======================= Grid point 246 (106/231) ======================= q-point: ( 0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 7.841 -1.204 -3.484) 8.664 0.895 ( 3.735 -1.905 -0.350) 4.207 1.009 ( -4.791 0.773 -7.174) 8.662 1.065 ( -6.628 -10.201 -1.699) 12.284 1.085 ( 4.905 1.062 2.933) 5.813 1.179 ( 9.029 -6.132 2.484) 11.193 1.328 ( -0.101 -5.907 4.782) 7.601 1.397 ( -4.387 3.002 3.461) 6.343 1.584 ( 0.267 1.107 0.932) 1.472 1.643 ( 0.274 0.067 -1.352) 1.381 1.696 ( -1.668 -1.198 4.411) 4.866 1.935 ( -0.992 -12.529 1.378) 12.644 2.027 ( 1.028 -10.259 4.512) 11.254 2.638 ( -2.724 0.574 1.379) 3.107 2.749 ( 1.728 -2.881 0.325) 3.375 2.900 ( -0.582 -1.535 6.027) 6.246 3.174 ( 1.145 -3.192 -0.102) 3.393 3.438 ( 4.194 0.807 -8.206) 9.251 3.601 ( -0.567 3.929 -4.349) 5.888 3.660 ( -2.235 8.117 -2.083) 8.672 3.747 ( 0.022 1.337 -2.012) 2.416 3.780 ( 1.546 3.963 -2.723) 5.051 4.097 ( 0.659 -3.295 0.642) 3.421 4.157 ( -3.354 -2.157 -0.901) 4.089 4.825 ( -1.041 0.252 -2.059) 2.321 4.969 ( 2.509 0.330 4.279) 4.972 5.178 ( -2.677 4.317 -1.161) 5.211 5.390 ( -0.955 1.177 -0.971) 1.800 5.588 ( 1.461 1.726 0.791) 2.396 5.705 ( 0.570 1.218 -0.519) 1.442 ======================= Grid point 247 (107/231) ======================= q-point: ( 0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 8.283 -7.535 -2.362) 11.444 0.975 ( -4.432 -2.989 -2.260) 5.804 0.977 ( 3.091 -2.950 -3.108) 5.284 1.088 ( 3.867 0.272 5.213) 6.496 1.156 ( -3.131 -3.279 -3.832) 5.936 1.294 ( -4.081 -0.192 0.215) 4.091 1.342 ( -4.623 0.836 3.958) 6.143 1.475 ( 5.492 -10.048 2.810) 11.791 1.623 ( 1.321 -3.256 0.434) 3.540 1.688 ( -0.517 -5.635 -1.443) 5.839 1.756 ( -0.663 -6.646 7.555) 10.084 2.178 ( 0.236 -11.369 0.460) 11.381 2.231 ( 0.742 -11.717 2.385) 11.981 2.606 ( -2.363 2.143 -0.539) 3.236 2.734 ( 0.579 3.976 2.438) 4.700 2.978 ( 0.470 -5.966 1.825) 6.256 3.239 ( 0.554 -2.117 0.522) 2.249 3.425 ( 1.133 4.089 -3.752) 5.664 3.458 ( 0.919 5.100 -2.456) 5.735 3.578 ( 2.116 7.044 -1.942) 7.607 3.617 ( -6.572 7.873 -1.389) 10.349 3.709 ( 0.474 1.584 -5.337) 5.587 4.192 ( 1.930 -4.888 0.119) 5.256 4.224 ( -2.140 -6.521 -0.353) 6.872 4.787 ( -0.195 3.843 -1.972) 4.324 4.930 ( 1.975 6.479 0.072) 6.774 5.076 ( -3.690 3.106 4.318) 6.474 5.366 ( -0.001 1.000 -1.584) 1.874 5.554 ( 0.900 2.577 0.917) 2.879 5.679 ( 0.397 1.859 -0.876) 2.093 ======================= Grid point 248 (108/231) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 3.331 -7.283 -1.776) 8.203 0.991 ( -2.428 -3.233 -3.795) 5.546 1.090 ( 2.165 -1.666 5.920) 6.520 1.116 ( -0.193 -4.614 1.412) 4.829 1.204 ( 0.747 -3.086 -2.048) 3.779 1.254 ( -0.824 0.829 1.497) 1.899 1.352 ( -1.635 -4.123 0.556) 4.470 1.576 ( 0.707 -0.738 -0.171) 1.036 1.686 ( 0.182 -1.454 -1.482) 2.084 1.804 ( 0.341 -6.609 2.336) 7.018 1.949 ( -0.338 -10.545 6.725) 12.512 2.280 ( -4.153 -2.859 -3.151) 5.946 2.470 ( 0.687 -7.379 3.081) 8.026 2.503 ( 3.538 4.874 0.013) 6.022 2.688 ( -2.802 -0.009 0.421) 2.833 3.087 ( 2.619 -4.417 -0.460) 5.156 3.205 ( 0.060 4.904 0.606) 4.942 3.360 ( -4.793 6.699 -1.920) 8.458 3.407 ( 2.931 2.817 -2.700) 4.880 3.417 ( 5.387 5.338 -0.442) 7.596 3.491 ( -4.164 0.329 1.221) 4.351 3.729 ( 0.361 -1.566 -5.914) 6.128 4.285 ( -0.883 -5.087 0.020) 5.163 4.333 ( 0.912 -4.801 -0.084) 4.888 4.679 ( 0.051 7.416 -1.243) 7.520 4.785 ( 0.185 8.146 -1.856) 8.357 5.032 ( -1.576 0.931 6.751) 6.995 5.355 ( 0.416 0.274 -1.077) 1.187 5.510 ( 0.341 2.536 0.893) 2.710 5.646 ( 0.412 1.804 -1.446) 2.348 ======================= Grid point 249 (109/231) ======================= q-point: (-0.31 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -1.161 -5.432 -0.948) 5.635 1.053 ( 0.890 -2.873 -0.315) 3.024 1.107 ( 1.102 -2.102 0.604) 2.449 1.223 ( 2.672 -5.002 0.904) 5.742 1.245 ( -0.762 -0.970 1.039) 1.613 1.274 ( 3.190 -1.471 3.508) 4.965 1.472 ( -0.886 -8.354 -2.296) 8.709 1.583 ( 1.071 -0.403 0.950) 1.487 1.683 ( -1.369 1.248 -0.914) 2.066 1.886 ( -5.580 2.262 -1.097) 6.120 1.951 ( -3.515 3.045 1.355) 4.844 2.348 ( 6.695 9.448 6.681) 13.369 2.371 ( -0.103 -8.579 1.754) 8.757 2.604 ( -0.313 -0.207 -1.948) 1.984 2.688 ( -3.334 -1.922 -2.413) 4.542 3.106 ( -2.681 4.460 1.342) 5.374 3.164 ( 3.030 -2.071 -1.116) 3.837 3.236 ( 0.311 2.000 -2.148) 2.951 3.390 ( 2.465 0.531 0.354) 2.546 3.411 ( 4.583 -2.404 -0.336) 5.186 3.555 ( -0.976 -5.823 -0.509) 5.926 3.737 ( 0.969 1.049 -4.271) 4.503 4.360 ( -0.823 -3.273 0.280) 3.386 4.401 ( 0.326 -2.142 -0.198) 2.176 4.543 ( 0.039 6.462 -0.156) 6.464 4.664 ( 1.112 5.384 -2.094) 5.883 5.005 ( -1.289 1.464 6.831) 7.104 5.360 ( 0.427 -0.492 -0.296) 0.716 5.468 ( 0.283 2.092 0.629) 2.203 5.620 ( 0.556 1.160 -1.980) 2.361 ======================= Grid point 250 (110/231) ======================= q-point: (-0.23 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.269 -4.634 -0.261) 4.649 1.079 ( 0.974 -0.250 -1.741) 2.010 1.185 ( 1.022 -2.764 -0.805) 3.055 1.223 ( 3.091 2.990 3.780) 5.725 1.323 ( 0.070 -2.263 -1.363) 2.642 1.340 ( 2.640 -4.995 4.113) 6.988 1.500 ( -8.543 9.594 -3.297) 13.263 1.588 ( -3.742 0.197 -0.240) 3.755 1.661 ( 0.597 -5.039 -0.693) 5.122 1.715 ( -3.014 1.675 -0.099) 3.449 1.992 ( 0.841 -1.992 2.907) 3.623 2.241 ( 13.114 6.831 8.382) 16.997 2.466 ( -4.188 4.169 -1.667) 6.139 2.530 ( -1.542 -0.552 0.247) 1.657 2.732 ( -2.308 -4.543 -1.533) 5.321 3.037 ( -1.874 1.487 -1.131) 2.646 3.197 ( 2.237 -0.116 -0.885) 2.408 3.283 ( 0.008 -4.998 -0.734) 5.052 3.403 ( 0.333 -1.020 0.190) 1.090 3.548 ( 6.840 -7.078 -0.304) 9.848 3.633 ( 0.032 -2.090 -2.858) 3.541 3.741 ( 2.492 -2.412 -1.699) 3.862 4.377 ( -1.835 2.351 0.397) 3.009 4.408 ( -1.176 0.255 0.123) 1.210 4.476 ( 1.328 0.492 -0.126) 1.422 4.594 ( 1.723 3.210 -1.957) 4.136 4.965 ( -1.355 1.981 6.681) 7.099 5.375 ( 0.017 -0.977 0.142) 0.987 5.437 ( 0.666 1.616 0.419) 1.797 5.610 ( 0.567 0.258 -2.322) 2.404 ======================= Grid point 251 (111/231) ======================= q-point: (-0.15 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.355 9.125 1.598) 9.270 1.102 ( -1.935 3.428 -4.456) 5.946 1.157 ( 0.627 -3.387 -0.108) 3.446 1.204 ( -6.502 -1.459 1.869) 6.921 1.294 ( -0.365 -0.672 -0.449) 0.886 1.417 ( -1.117 -1.793 1.295) 2.478 1.459 ( 3.714 -4.174 0.500) 5.610 1.585 ( -0.120 -0.226 2.738) 2.750 1.663 ( -1.760 1.205 -1.436) 2.571 1.782 ( -1.408 -5.071 1.344) 5.432 2.019 ( 3.933 -0.472 1.950) 4.415 2.237 ( 3.757 3.745 5.983) 7.996 2.309 ( 7.620 6.216 2.000) 10.035 2.572 ( -4.713 -3.391 -2.522) 6.330 2.786 ( -3.888 -1.850 1.227) 4.477 3.035 ( -1.011 -2.879 -3.625) 4.738 3.172 ( 3.816 5.441 1.456) 6.803 3.368 ( -3.504 -4.648 -1.754) 6.079 3.425 ( -0.790 -1.487 0.038) 1.684 3.604 ( -0.151 -0.329 -6.525) 6.535 3.792 ( 7.939 -10.605 1.765) 13.364 3.824 ( 1.790 -3.634 -1.674) 4.384 4.264 ( -5.245 6.640 0.433) 8.473 4.393 ( 0.693 1.569 0.240) 1.732 4.509 ( 0.233 -2.852 -0.218) 2.869 4.559 ( 1.493 1.652 -1.629) 2.759 4.930 ( -0.765 0.926 6.395) 6.507 5.392 ( -0.534 -0.737 0.165) 0.925 5.418 ( 0.876 0.643 0.348) 1.141 5.614 ( 0.286 -0.311 -2.417) 2.454 ======================= Grid point 252 (112/231) ======================= q-point: (-0.08 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -2.376 -3.482 -0.236) 4.222 1.076 ( 1.482 0.562 -1.629) 2.272 1.210 ( -2.533 -2.914 -0.575) 3.904 1.234 ( -3.278 -2.946 2.548) 5.091 1.294 ( -1.322 0.618 -0.629) 1.589 1.398 ( -1.545 1.360 0.160) 2.065 1.537 ( 2.636 -1.277 3.963) 4.928 1.599 ( 0.484 1.628 0.176) 1.707 1.622 ( -0.193 0.816 -0.485) 0.969 1.849 ( -2.536 -3.714 5.846) 7.375 2.051 ( 1.951 0.024 -1.510) 2.467 2.166 ( 1.015 0.084 1.264) 1.623 2.323 ( 12.419 2.940 6.542) 14.341 2.584 ( -9.018 -1.693 -3.365) 9.773 2.756 ( 0.147 2.968 3.334) 4.466 3.058 ( 5.148 8.084 2.648) 9.943 3.123 ( -2.335 -6.246 -5.670) 8.753 3.395 ( -3.852 -0.495 -6.496) 7.568 3.449 ( -2.266 -1.680 1.349) 3.127 3.629 ( -1.973 -3.329 -3.788) 5.415 3.864 ( -0.953 -0.050 -2.560) 2.732 4.004 ( 1.546 -3.110 0.095) 3.475 4.120 ( -2.362 0.558 1.644) 2.931 4.363 ( 2.419 2.564 0.438) 3.552 4.542 ( 0.455 0.478 -2.197) 2.294 4.576 ( -1.252 -4.137 -0.031) 4.322 4.929 ( -0.087 -0.945 6.296) 6.367 5.390 ( -0.080 0.384 0.084) 0.401 5.430 ( -0.110 -1.244 0.299) 1.284 5.621 ( -0.235 -0.413 -2.321) 2.369 ======================= Grid point 259 (113/231) ======================= q-point: ( 0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 2.955 0.000 -4.632) 5.494 0.850 ( 2.309 0.000 0.508) 2.364 0.948 ( -1.339 -0.000 -0.414) 1.402 0.989 ( -6.794 -0.000 -5.440) 8.703 1.144 ( 7.593 0.000 5.001) 9.092 1.162 ( 2.775 0.000 -1.922) 3.375 1.275 ( 4.657 0.000 4.383) 6.396 1.402 ( -6.210 -0.000 1.909) 6.497 1.613 ( -0.665 -0.000 -0.178) 0.688 1.657 ( 2.381 0.000 3.217) 4.002 1.720 ( -4.237 -0.000 -0.476) 4.263 1.741 ( -3.348 -0.000 0.802) 3.442 1.929 ( 5.473 0.000 9.696) 11.134 2.637 ( -2.713 -0.000 3.076) 4.101 2.698 ( 1.093 0.000 1.048) 1.514 2.898 ( -0.056 -0.000 4.924) 4.924 3.150 ( 1.004 0.000 -0.245) 1.034 3.453 ( 1.358 0.000 -13.078) 13.149 3.692 ( 2.949 0.000 -0.023) 2.949 3.708 ( -1.756 -0.000 -2.430) 2.998 3.734 ( -3.050 -0.000 -3.329) 4.515 3.831 ( 1.613 0.000 -3.138) 3.528 4.032 ( -1.263 -0.000 0.571) 1.386 4.162 ( -0.412 -0.000 -0.546) 0.684 4.814 ( -1.073 -0.000 -1.803) 2.099 4.978 ( 2.006 0.000 6.004) 6.331 5.211 ( -2.137 -0.000 -2.843) 3.557 5.396 ( -0.867 -0.000 -1.344) 1.599 5.615 ( 1.585 0.000 0.557) 1.680 5.721 ( 0.669 0.000 -0.192) 0.695 ======================= Grid point 260 (114/231) ======================= q-point: (-0.46 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 7.452 -3.786 -3.429) 9.034 0.919 ( -2.119 -0.393 -0.740) 2.279 0.956 ( -1.255 -2.519 -6.649) 7.220 0.986 ( -7.241 -6.891 -0.495) 10.008 1.124 ( 1.361 0.631 3.038) 3.388 1.267 ( 4.587 -4.149 1.207) 6.302 1.323 ( -0.412 -0.019 4.002) 4.024 1.375 ( 1.305 -2.996 4.302) 5.403 1.581 ( -0.753 0.385 -0.644) 1.063 1.642 ( -0.488 -0.360 -2.041) 2.130 1.679 ( -0.687 -1.874 5.280) 5.645 1.932 ( 0.523 -13.878 0.694) 13.905 2.052 ( 2.519 -8.057 8.079) 11.685 2.610 ( -2.151 0.791 1.002) 2.501 2.763 ( 0.504 -3.280 0.427) 3.346 2.894 ( -0.558 -1.185 5.311) 5.470 3.183 ( 0.301 -2.961 0.060) 2.977 3.473 ( 1.519 -1.569 -11.425) 11.632 3.561 ( -4.650 8.102 -2.738) 9.734 3.655 ( 0.820 4.797 -2.341) 5.400 3.749 ( -0.057 3.213 -0.431) 3.242 3.792 ( 0.854 4.623 -3.128) 5.647 4.092 ( -1.946 -5.076 0.048) 5.437 4.146 ( 1.866 -1.107 -0.211) 2.180 4.814 ( -0.687 0.015 -1.832) 1.956 5.000 ( 2.381 -0.234 5.131) 5.661 5.141 ( -3.699 5.440 -1.598) 6.770 5.384 ( -0.009 0.831 -1.861) 2.038 5.605 ( 1.376 1.934 0.649) 2.461 5.712 ( 0.543 1.329 -0.222) 1.452 ======================= Grid point 261 (115/231) ======================= q-point: (-0.38 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 5.457 -5.833 -2.360) 8.329 0.912 ( -5.320 -2.780 -3.432) 6.914 1.012 ( -0.379 -4.416 -2.540) 5.109 1.036 ( -6.157 -3.260 4.800) 8.460 1.178 ( 3.083 -3.644 -0.487) 4.798 1.257 ( -2.073 2.527 0.868) 3.382 1.331 ( 2.403 -0.894 1.950) 3.221 1.526 ( 1.896 -6.069 -0.523) 6.380 1.647 ( 1.828 -3.241 -0.968) 3.845 1.676 ( 0.172 -5.772 1.113) 5.881 1.767 ( 2.791 -8.359 10.256) 13.523 2.167 ( -2.118 -7.528 0.311) 7.827 2.235 ( -0.139 -13.682 2.089) 13.841 2.584 ( -1.481 1.259 -1.134) 2.251 2.729 ( -1.495 4.763 2.586) 5.622 2.993 ( 1.743 -6.943 1.754) 7.370 3.244 ( 0.324 -2.367 0.817) 2.525 3.403 ( -2.848 5.522 -3.495) 7.129 3.494 ( 3.492 3.708 -2.973) 5.898 3.539 ( -6.110 4.407 -3.316) 8.231 3.623 ( 4.878 9.768 -0.564) 10.933 3.720 ( 1.797 2.249 -4.904) 5.686 4.160 ( -4.420 -6.286 -0.316) 7.691 4.253 ( 4.284 -5.346 0.070) 6.851 4.783 ( -0.245 3.501 -2.040) 4.059 4.947 ( 0.668 8.467 -1.653) 8.653 5.040 ( -2.398 1.202 5.788) 6.379 5.369 ( 0.617 0.847 -1.621) 1.930 5.565 ( 0.901 2.947 1.032) 3.250 5.683 ( 0.464 1.897 -0.714) 2.079 ======================= Grid point 262 (116/231) ======================= q-point: (-0.31 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -0.934 -5.322 -2.542) 5.971 0.980 ( 0.979 -5.023 0.443) 5.136 1.055 ( -6.323 -3.830 2.534) 7.815 1.126 ( 0.810 -6.103 3.677) 7.170 1.212 ( 1.563 -0.202 -2.656) 3.088 1.304 ( 5.770 -4.914 -1.216) 7.676 1.353 ( 3.072 -0.342 2.022) 3.694 1.575 ( -1.121 -1.028 -0.171) 1.531 1.674 ( -1.756 -0.979 -1.819) 2.711 1.816 ( 0.925 -6.257 0.909) 6.390 1.955 ( 1.042 -4.673 9.087) 10.271 2.235 ( -2.981 -4.880 -3.832) 6.884 2.457 ( -3.038 -6.887 3.706) 8.390 2.535 ( 1.503 1.537 0.145) 2.155 2.656 ( -2.274 0.947 -0.101) 2.466 3.099 ( -1.587 -2.874 -0.171) 3.287 3.212 ( 2.451 4.681 0.313) 5.293 3.327 ( -1.152 4.203 -2.770) 5.164 3.434 ( 1.226 4.362 -1.130) 4.670 3.451 ( 0.548 -2.235 -0.910) 2.475 3.512 ( 8.284 6.049 0.526) 10.271 3.735 ( 0.951 -1.526 -5.642) 5.922 4.263 ( -2.637 -6.323 -0.025) 6.851 4.353 ( 2.412 -3.443 -0.019) 4.203 4.676 ( -0.398 7.353 -1.242) 7.468 4.790 ( 0.692 7.652 -2.478) 8.073 5.019 ( -1.031 0.833 6.721) 6.851 5.362 ( 0.864 0.317 -0.865) 1.263 5.515 ( 0.486 2.752 1.044) 2.983 5.652 ( 0.660 1.769 -1.326) 2.307 ======================= Grid point 263 (117/231) ======================= q-point: (-0.23 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.386 -5.878 -0.252) 5.896 1.063 ( 0.545 -2.430 0.053) 2.491 1.110 ( -0.449 -4.982 0.287) 5.010 1.231 ( -0.693 -4.087 1.821) 4.527 1.259 ( 3.377 -3.910 -1.878) 5.497 1.338 ( 6.108 2.597 5.018) 8.321 1.464 ( -0.250 -7.150 -3.047) 7.776 1.596 ( 1.034 -1.915 0.770) 2.309 1.659 ( -2.803 2.642 -1.274) 4.057 1.795 ( -7.722 9.392 -0.098) 12.159 1.955 ( 1.897 -2.197 3.130) 4.269 2.365 ( -0.570 -7.378 -0.231) 7.404 2.415 ( 3.878 5.226 6.677) 9.323 2.583 ( -3.256 -0.075 -0.587) 3.310 2.647 ( -3.270 -1.989 -1.334) 4.053 3.059 ( -4.728 2.222 0.991) 5.317 3.196 ( 2.387 0.480 -3.403) 4.184 3.258 ( 3.234 1.405 -2.226) 4.170 3.439 ( 5.723 2.485 0.950) 6.311 3.476 ( 6.577 -3.739 -0.721) 7.599 3.561 ( 2.123 -5.261 -0.574) 5.703 3.751 ( 1.885 0.497 -3.636) 4.125 4.342 ( -2.309 -3.632 0.209) 4.309 4.407 ( 0.789 -0.980 0.131) 1.265 4.547 ( 0.547 5.836 -0.555) 5.888 4.680 ( 1.856 5.149 -2.429) 5.988 4.990 ( -1.565 1.617 6.738) 7.104 5.366 ( 0.678 -0.216 -0.183) 0.734 5.474 ( 0.621 2.004 0.706) 2.213 5.628 ( 0.848 1.194 -1.825) 2.340 ======================= Grid point 264 (118/231) ======================= q-point: (-0.15 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -0.281 -2.460 -2.141) 3.273 1.103 ( 2.473 -2.693 1.616) 3.998 1.189 ( -0.308 -0.962 -2.013) 2.252 1.265 ( 3.551 1.234 3.321) 5.016 1.311 ( -2.978 3.647 -3.306) 5.753 1.369 ( 1.573 0.341 6.919) 7.103 1.415 ( -2.677 4.126 -3.379) 5.967 1.556 ( -1.768 -2.576 0.741) 3.211 1.662 ( -0.654 -1.590 -1.354) 2.188 1.703 ( 0.321 -1.598 2.142) 2.692 2.011 ( 2.183 -2.013 2.239) 3.719 2.345 ( 0.753 5.421 5.162) 7.523 2.442 ( 1.805 -0.505 -1.375) 2.324 2.504 ( -1.040 2.597 2.123) 3.511 2.702 ( -2.959 -4.553 -0.364) 5.442 3.006 ( -3.335 0.850 -0.960) 3.573 3.211 ( 0.401 -1.232 -3.205) 3.457 3.302 ( 3.237 -2.652 -1.353) 4.398 3.428 ( 3.847 1.299 1.217) 4.239 3.603 ( 2.307 -1.607 -4.478) 5.287 3.668 ( 6.586 -7.003 0.999) 9.665 3.775 ( 3.541 -2.554 -1.684) 4.680 4.347 ( -3.312 4.132 0.293) 5.304 4.394 ( -1.490 -0.713 0.503) 1.727 4.495 ( 1.864 0.901 -0.741) 2.199 4.616 ( 2.212 3.286 -1.954) 4.417 4.949 ( -1.629 1.671 6.648) 7.045 5.376 ( 0.097 -0.570 0.055) 0.581 5.446 ( 0.891 1.526 0.495) 1.835 5.618 ( 0.792 0.440 -2.166) 2.348 ======================= Grid point 265 (119/231) ======================= q-point: (-0.08 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -7.135 10.510 -0.215) 12.705 1.100 ( 0.858 -0.601 -2.192) 2.430 1.169 ( -0.062 -1.247 1.489) 1.944 1.177 ( 3.000 1.714 0.712) 3.528 1.302 ( 1.406 -0.646 0.735) 1.713 1.408 ( -0.879 -1.568 1.298) 2.217 1.494 ( 2.129 -3.782 1.496) 4.591 1.591 ( 1.132 -2.165 2.624) 3.585 1.643 ( -1.555 1.448 -0.846) 2.287 1.768 ( -1.162 -3.768 1.278) 4.145 2.054 ( 2.446 -1.155 0.565) 2.763 2.213 ( -3.713 5.393 1.773) 6.783 2.464 ( 12.205 3.496 6.094) 14.083 2.491 ( -7.235 -2.527 -2.868) 8.183 2.752 ( -2.015 -2.232 1.428) 3.328 3.014 ( -2.277 -3.782 -3.670) 5.741 3.210 ( 1.413 2.978 -0.342) 3.314 3.347 ( 0.916 -0.682 -0.735) 1.358 3.427 ( 1.372 0.389 1.361) 1.971 3.599 ( -0.533 -0.038 -6.878) 6.898 3.837 ( 1.369 -3.209 -2.876) 4.521 3.891 ( 8.073 -8.923 1.627) 12.143 4.199 ( -5.972 7.805 0.574) 9.844 4.398 ( 0.151 0.350 0.462) 0.599 4.511 ( 0.224 -1.884 -0.496) 1.961 4.576 ( 1.387 2.342 -1.569) 3.142 4.922 ( -0.817 0.368 6.377) 6.439 5.387 ( -0.317 -0.628 0.025) 0.703 5.427 ( 0.663 0.904 0.426) 1.199 5.617 ( 0.394 0.034 -2.336) 2.369 ======================= Grid point 273 (120/231) ======================= q-point: (-0.46 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 6.267 0.000 -4.408) 7.662 0.863 ( -0.493 -0.000 0.997) 1.112 0.901 ( -8.038 -0.000 -4.083) 9.015 0.929 ( -1.382 -0.000 -1.028) 1.722 1.163 ( -2.598 -0.000 -1.899) 3.218 1.201 ( -0.290 -0.000 5.739) 5.746 1.332 ( 6.539 0.000 3.604) 7.466 1.363 ( 0.315 0.000 0.261) 0.410 1.612 ( 0.511 0.000 -0.204) 0.550 1.621 ( -10.506 -0.000 -0.423) 10.514 1.700 ( 3.786 0.000 3.239) 4.983 1.736 ( 2.534 0.000 0.725) 2.636 2.006 ( 6.029 0.000 12.359) 13.751 2.614 ( -1.411 -0.000 1.544) 2.092 2.701 ( -0.622 -0.000 1.095) 1.259 2.894 ( -0.806 -0.000 4.530) 4.601 3.153 ( -0.420 -0.000 -0.165) 0.451 3.450 ( -1.184 -0.000 -14.498) 14.546 3.638 ( -6.718 -0.000 -3.090) 7.395 3.687 ( -3.686 -0.000 -0.124) 3.688 3.760 ( 3.147 0.000 -1.900) 3.677 3.849 ( 2.464 0.000 -3.293) 4.112 4.039 ( 2.330 0.000 0.773) 2.455 4.156 ( -0.522 -0.000 -0.724) 0.892 4.805 ( -0.399 -0.000 -1.957) 1.997 5.000 ( 1.547 0.000 6.901) 7.072 5.178 ( -3.486 -0.000 -3.122) 4.680 5.392 ( 0.299 0.000 -2.087) 2.109 5.632 ( 1.407 0.000 0.384) 1.458 5.728 ( 0.638 0.000 0.279) 0.697 ======================= Grid point 274 (121/231) ======================= q-point: (-0.38 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 5.284 -4.267 -2.117) 7.114 0.849 ( -7.619 0.142 -3.932) 8.575 0.898 ( -7.814 -3.304 0.061) 8.484 0.979 ( 2.883 -4.430 -1.553) 5.509 1.122 ( -1.357 -0.878 1.563) 2.249 1.263 ( -3.767 -5.624 2.072) 7.079 1.331 ( 1.255 4.062 1.181) 4.412 1.428 ( 6.064 -4.802 2.166) 8.033 1.554 ( -4.808 -3.464 -2.139) 6.300 1.648 ( 2.876 -1.928 0.774) 3.548 1.694 ( 3.237 -1.046 6.678) 7.495 1.951 ( 2.774 -13.919 1.091) 14.234 2.077 ( 1.131 -4.193 9.303) 10.266 2.591 ( -1.146 0.980 -0.779) 1.698 2.758 ( -1.394 -2.738 0.718) 3.155 2.891 ( -0.144 -2.382 4.574) 5.159 3.180 ( -0.807 -3.183 0.034) 3.284 3.461 ( -2.579 -0.876 -9.041) 9.442 3.507 ( -5.009 4.178 -5.848) 8.761 3.675 ( 2.615 9.211 -1.455) 9.685 3.739 ( -1.731 -1.659 -0.896) 2.560 3.800 ( 1.073 4.677 -2.990) 5.654 4.073 ( -0.877 0.322 0.313) 0.985 4.181 ( 3.836 -4.933 -0.629) 6.281 4.809 ( -0.169 -0.039 -2.392) 2.398 5.022 ( 1.079 -0.921 6.660) 6.809 5.096 ( -3.734 6.149 -2.870) 7.746 5.388 ( 0.799 0.698 -1.940) 2.211 5.620 ( 1.240 2.073 0.664) 2.505 5.717 ( 0.504 1.436 0.177) 1.532 ======================= Grid point 275 (122/231) ======================= q-point: (-0.31 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -2.990 -2.664 -2.179) 4.559 0.873 ( -0.923 -7.291 0.780) 7.391 0.922 ( -7.312 -4.532 0.745) 8.635 1.040 ( 0.523 -2.814 1.477) 3.221 1.203 ( 1.966 -5.207 -0.773) 5.619 1.258 ( 2.300 1.931 -0.038) 3.003 1.372 ( 3.362 -4.038 1.319) 5.418 1.509 ( -3.684 -3.240 -2.721) 5.610 1.658 ( 0.343 -4.169 -2.682) 4.969 1.682 ( 0.070 -4.092 0.181) 4.097 1.845 ( 9.797 -9.209 15.066) 20.194 2.133 ( -3.783 -3.991 0.065) 5.499 2.228 ( -1.123 -13.048 2.701) 13.372 2.572 ( -0.743 0.706 -2.634) 2.826 2.704 ( -2.798 4.601 2.071) 5.770 3.011 ( 1.088 -6.574 1.073) 6.750 3.248 ( 0.500 -3.475 0.874) 3.618 3.377 ( -1.310 4.162 -2.537) 5.047 3.468 ( -5.318 3.815 -1.662) 6.753 3.530 ( 2.397 4.798 -5.464) 7.656 3.683 ( 5.136 4.921 -1.609) 7.292 3.750 ( 3.821 3.910 -3.452) 6.466 4.111 ( -4.008 -6.803 0.067) 7.896 4.304 ( 4.597 -4.433 -0.587) 6.413 4.779 ( -0.432 3.606 -2.563) 4.445 4.937 ( -2.161 8.236 -2.778) 8.956 5.031 ( 0.306 0.602 6.627) 6.662 5.379 ( 1.064 0.796 -1.347) 1.893 5.575 ( 0.843 3.237 1.320) 3.596 5.689 ( 0.493 1.828 -0.545) 1.970 ======================= Grid point 276 (123/231) ======================= q-point: (-0.23 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -0.767 -6.724 0.979) 6.838 0.984 ( -5.726 -6.205 0.041) 8.444 1.001 ( 2.102 -5.022 1.079) 5.550 1.124 ( -0.548 -6.107 2.644) 6.677 1.244 ( 3.300 -0.487 -0.742) 3.418 1.340 ( 2.729 -6.016 -3.813) 7.627 1.430 ( 7.384 1.689 1.211) 7.671 1.543 ( -4.201 -3.971 0.272) 5.787 1.664 ( 0.641 0.561 -1.430) 1.664 1.812 ( -1.536 -5.526 0.162) 5.738 1.969 ( 0.262 1.901 9.685) 9.873 2.222 ( 1.082 -8.321 -1.953) 8.616 2.407 ( -5.565 -7.697 3.762) 10.216 2.535 ( -1.332 2.271 1.349) 2.959 2.639 ( -1.097 0.856 -1.338) 1.930 3.056 ( -4.987 0.531 -0.393) 5.031 3.261 ( 5.214 3.487 -1.310) 6.409 3.322 ( 0.109 2.026 -2.778) 3.440 3.445 ( 2.336 -1.866 2.051) 3.626 3.477 ( 2.809 -0.749 -4.188) 5.098 3.617 ( 9.611 7.140 0.511) 11.984 3.749 ( 1.704 -1.581 -4.845) 5.374 4.228 ( -3.440 -6.921 0.034) 7.729 4.387 ( 3.513 -2.275 -0.131) 4.188 4.670 ( -0.564 7.003 -1.388) 7.161 4.796 ( 0.335 6.390 -3.362) 7.228 5.012 ( -0.491 1.418 6.726) 6.892 5.374 ( 1.138 0.402 -0.617) 1.355 5.521 ( 0.562 2.832 1.325) 3.177 5.660 ( 0.760 1.645 -1.204) 2.175 ======================= Grid point 277 (124/231) ======================= q-point: (-0.15 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 2.521 -5.791 0.148) 6.317 1.060 ( -1.009 -4.138 0.198) 4.264 1.109 ( 0.621 -6.221 0.891) 6.315 1.229 ( 0.360 -4.416 0.697) 4.485 1.296 ( 2.736 -3.127 -1.660) 4.474 1.386 ( 1.160 3.204 0.352) 3.425 1.469 ( 1.172 -4.601 -1.576) 5.002 1.610 ( 0.577 -3.428 1.691) 3.866 1.625 ( -0.875 7.042 -2.001) 7.373 1.737 ( -2.335 6.795 4.464) 8.459 1.979 ( 1.991 -2.929 2.925) 4.594 2.353 ( -1.738 -4.281 0.468) 4.644 2.428 ( -2.525 1.781 3.475) 4.651 2.544 ( -2.368 -2.884 0.772) 3.811 2.617 ( -2.278 -0.289 1.132) 2.560 3.007 ( -4.283 1.091 0.849) 4.500 3.222 ( 2.776 2.273 -5.327) 6.422 3.297 ( 3.386 0.495 -3.174) 4.667 3.505 ( 4.930 2.540 -0.556) 5.573 3.552 ( 6.932 -5.323 -1.314) 8.839 3.610 ( 6.867 -2.662 1.008) 7.434 3.779 ( 3.156 -0.162 -2.740) 4.183 4.308 ( -3.692 -4.108 0.114) 5.524 4.418 ( 0.881 1.352 0.428) 1.670 4.555 ( 1.119 4.679 -0.954) 4.905 4.702 ( 1.829 4.578 -3.050) 5.797 4.975 ( -1.411 2.018 6.744) 7.180 5.375 ( 0.810 0.130 -0.132) 0.831 5.482 ( 0.731 1.866 0.859) 2.181 5.638 ( 0.930 1.180 -1.653) 2.234 ======================= Grid point 278 (125/231) ======================= q-point: (-0.08 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.445 -2.089 -2.121) 3.010 1.116 ( -1.615 1.796 2.564) 3.523 1.184 ( 0.985 2.259 -2.638) 3.610 1.263 ( -2.590 0.670 -2.170) 3.444 1.301 ( 1.721 -1.390 1.214) 2.524 1.398 ( 3.457 8.246 4.738) 10.119 1.426 ( 2.152 -5.205 -0.639) 5.669 1.549 ( 0.617 -2.735 1.687) 3.272 1.656 ( 0.105 0.241 0.280) 0.384 1.710 ( 0.348 -1.820 2.294) 2.948 2.040 ( 2.681 -2.010 1.764) 3.787 2.298 ( -6.035 6.091 2.101) 8.828 2.404 ( -7.114 -1.557 -1.323) 7.401 2.570 ( 8.170 0.131 3.992) 9.094 2.667 ( -2.836 -5.002 1.688) 5.993 2.965 ( -3.764 0.267 -0.487) 3.804 3.218 ( 1.376 0.253 -4.266) 4.490 3.342 ( 3.455 -2.390 -3.205) 5.284 3.482 ( 4.836 2.250 0.314) 5.343 3.626 ( 2.892 1.911 -3.176) 4.702 3.753 ( 7.506 -7.416 -0.549) 10.566 3.820 ( 4.418 -2.969 -0.561) 5.352 4.305 ( -3.988 5.543 0.303) 6.835 4.372 ( -2.479 -1.361 0.570) 2.885 4.517 ( 2.134 1.401 -1.144) 2.798 4.640 ( 2.019 3.531 -2.049) 4.555 4.933 ( -1.305 1.413 6.651) 6.923 5.378 ( 0.247 -0.177 -0.061) 0.310 5.456 ( 0.735 1.531 0.575) 1.793 5.627 ( 0.838 0.613 -1.992) 2.246 ======================= Grid point 287 (126/231) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 0.189 0.000 -2.272) 2.280 0.824 ( -6.313 -0.000 0.232) 6.317 0.827 ( -2.198 -0.000 -4.091) 4.644 0.932 ( 1.706 0.000 -0.080) 1.708 1.109 ( -6.241 -0.000 -1.631) 6.451 1.151 ( -6.832 -0.000 2.888) 7.418 1.386 ( 3.016 0.000 -1.833) 3.530 1.423 ( 3.062 0.000 4.178) 5.180 1.503 ( -4.374 -0.000 1.438) 4.604 1.623 ( 1.316 0.000 -0.070) 1.318 1.751 ( 4.535 0.000 5.915) 7.454 1.793 ( 6.916 0.000 0.331) 6.924 2.060 ( 2.728 0.000 12.722) 13.011 2.604 ( -0.584 -0.000 -1.193) 1.328 2.686 ( -2.082 -0.000 1.238) 2.422 2.880 ( -1.766 -0.000 4.290) 4.639 3.139 ( -2.021 -0.000 -0.408) 2.061 3.422 ( -2.937 -0.000 -13.760) 14.070 3.566 ( -5.781 -0.000 -3.591) 6.805 3.619 ( -7.662 -0.000 0.085) 7.662 3.779 ( 0.577 0.000 -2.527) 2.592 3.899 ( 6.017 0.000 -3.532) 6.977 4.075 ( 3.558 0.000 0.612) 3.610 4.150 ( -0.422 -0.000 -0.675) 0.796 4.803 ( -0.012 -0.000 -2.729) 2.729 5.013 ( 0.159 0.000 7.273) 7.275 5.135 ( -3.576 -0.000 -3.203) 4.801 5.400 ( 1.080 0.000 -1.887) 2.174 5.647 ( 1.197 0.000 0.225) 1.218 5.736 ( 0.717 0.000 0.927) 1.172 ======================= Grid point 288 (127/231) ======================= q-point: (-0.31 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -6.226 -5.063 0.966) 8.083 0.755 ( -9.169 0.982 -1.479) 9.339 0.851 ( 1.790 -1.841 -1.423) 2.936 1.004 ( 1.302 -3.165 0.287) 3.434 1.108 ( -0.621 -4.851 -1.270) 5.053 1.203 ( -6.329 -8.366 1.537) 10.602 1.350 ( 1.553 3.943 0.599) 4.280 1.471 ( -6.197 -7.250 -0.112) 9.538 1.495 ( 3.195 0.674 -2.464) 4.090 1.704 ( 5.702 -2.212 0.223) 6.120 1.759 ( 7.892 -3.960 10.016) 13.352 1.993 ( 4.275 -11.900 1.468) 12.730 2.079 ( -1.123 -1.094 9.985) 10.108 2.581 ( -0.887 1.062 -3.706) 3.956 2.730 ( -3.490 -1.490 0.949) 3.912 2.896 ( 0.786 -4.746 4.009) 6.262 3.165 ( -1.639 -4.004 -0.220) 4.332 3.422 ( -4.367 -1.491 -9.426) 10.495 3.441 ( -5.426 3.864 -2.671) 7.177 3.687 ( -2.717 0.529 -3.311) 4.315 3.727 ( 2.046 1.906 -1.708) 3.277 3.818 ( 2.199 4.912 -2.585) 5.971 4.075 ( 1.237 3.789 0.624) 4.035 4.227 ( 4.214 -6.922 -1.653) 8.271 4.806 ( -0.357 0.085 -3.426) 3.445 5.012 ( -3.555 1.036 3.701) 5.236 5.072 ( 0.110 3.791 0.361) 3.810 5.400 ( 1.218 0.701 -1.475) 2.037 5.633 ( 1.078 2.154 0.702) 2.508 5.723 ( 0.533 1.607 0.683) 1.826 ======================= Grid point 289 (128/231) ======================= q-point: (-0.23 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -7.046 -5.247 3.701) 9.533 0.815 ( -6.318 -8.480 0.247) 10.578 0.925 ( 3.719 -4.218 -0.152) 5.625 1.044 ( 0.768 -2.375 1.261) 2.797 1.226 ( 1.928 -4.790 -0.848) 5.232 1.296 ( 3.105 -1.189 -2.363) 4.079 1.374 ( -3.257 -8.478 1.197) 9.161 1.488 ( 1.484 0.948 -2.743) 3.260 1.622 ( -5.540 -11.636 -1.148) 12.938 1.709 ( 3.628 2.112 0.063) 4.198 1.970 ( 10.218 -5.963 16.888) 20.619 2.088 ( -3.286 -4.127 -1.963) 5.628 2.215 ( -1.253 -9.900 3.321) 10.517 2.557 ( -2.206 0.931 -3.477) 4.222 2.674 ( -2.360 3.325 0.755) 4.147 3.011 ( -1.375 -3.840 -0.511) 4.110 3.258 ( 1.212 -5.559 0.252) 5.695 3.372 ( 0.451 2.734 -1.903) 3.362 3.421 ( -2.501 -1.514 -0.995) 3.088 3.551 ( 1.636 7.359 -5.127) 9.116 3.728 ( 2.732 0.197 -3.399) 4.366 3.804 ( 5.271 4.345 -1.749) 7.051 4.076 ( -1.654 -5.637 0.523) 5.898 4.358 ( 4.955 -4.031 -1.654) 6.598 4.770 ( -1.192 3.778 -3.262) 5.131 4.905 ( -3.162 6.000 -2.940) 7.392 5.042 ( 1.156 1.601 6.507) 6.800 5.392 ( 1.264 0.786 -0.913) 1.746 5.584 ( 0.660 3.464 1.744) 3.934 5.694 ( 0.432 1.705 -0.395) 1.803 ======================= Grid point 290 (129/231) ======================= q-point: (-0.15 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.774 -10.473 5.387) 11.803 0.936 ( -1.526 -6.764 -1.910) 7.192 1.022 ( 1.430 -4.516 0.190) 4.741 1.126 ( 0.984 -5.778 0.855) 5.924 1.277 ( 2.465 -1.038 0.697) 2.764 1.374 ( 2.241 -3.889 -5.903) 7.415 1.452 ( -3.923 -0.376 -1.350) 4.166 1.533 ( 3.473 -5.092 1.720) 6.399 1.687 ( 3.152 2.062 0.136) 3.769 1.788 ( -2.373 -6.127 0.807) 6.620 1.959 ( -2.148 3.121 8.407) 9.221 2.253 ( 3.506 -7.226 0.889) 8.081 2.343 ( -5.207 -6.477 4.082) 9.259 2.513 ( -2.255 1.335 0.804) 2.741 2.622 ( -2.119 1.506 -0.630) 2.675 2.999 ( -4.702 1.062 -1.048) 4.933 3.315 ( 4.055 4.691 -3.924) 7.338 3.330 ( 1.601 -0.015 -2.049) 2.600 3.489 ( 4.489 -3.905 0.932) 6.022 3.507 ( 3.143 -2.640 -3.551) 5.427 3.721 ( 8.219 6.696 0.022) 10.601 3.772 ( 2.835 -2.352 -3.370) 4.993 4.189 ( -3.247 -6.242 0.143) 7.038 4.433 ( 4.529 -1.192 -0.378) 4.699 4.663 ( -0.532 6.215 -1.714) 6.469 4.793 ( -0.752 4.825 -4.384) 6.562 5.011 ( -0.048 2.272 6.874) 7.240 5.387 ( 1.226 0.515 -0.403) 1.390 5.527 ( 0.433 2.785 1.714) 3.298 5.668 ( 0.658 1.475 -1.103) 1.956 ======================= Grid point 291 (130/231) ======================= q-point: (-0.08 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 2.022 -3.160 -2.877) 4.728 1.050 ( 0.456 -8.802 4.897) 10.082 1.123 ( 1.518 -5.561 0.596) 5.795 1.239 ( 1.354 -4.641 -0.531) 4.864 1.312 ( -0.433 0.383 -3.486) 3.534 1.366 ( -2.969 0.654 -2.153) 3.725 1.486 ( 1.556 -2.708 0.623) 3.185 1.584 ( -2.012 2.490 -1.142) 3.399 1.674 ( 5.207 1.194 1.645) 5.589 1.739 ( 2.646 5.545 7.113) 9.399 1.999 ( 1.450 -4.487 3.056) 5.619 2.325 ( -3.083 -0.611 0.777) 3.238 2.366 ( -7.402 0.587 2.154) 7.732 2.536 ( 0.161 -4.055 0.312) 4.070 2.591 ( -2.328 -1.256 3.850) 4.672 2.963 ( -3.407 0.979 1.041) 3.694 3.259 ( 3.917 2.670 -7.068) 8.510 3.330 ( 2.573 -0.059 -4.303) 5.014 3.541 ( 1.814 0.719 -2.179) 2.925 3.638 ( 7.960 -5.132 -0.589) 9.489 3.706 ( 9.182 -0.709 1.426) 9.319 3.819 ( 3.772 -0.481 -2.019) 4.306 4.259 ( -4.803 -4.318 0.056) 6.458 4.424 ( 0.014 4.482 0.458) 4.506 4.574 ( 2.357 3.382 -1.233) 4.303 4.717 ( 0.937 3.588 -3.803) 5.311 4.964 ( -0.776 2.439 6.912) 7.370 5.384 ( 0.847 0.461 -0.147) 0.975 5.490 ( 0.525 1.752 1.058) 2.113 5.647 ( 0.789 1.113 -1.498) 2.026 ======================= Grid point 301 (131/231) ======================= q-point: (-0.31 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -10.093 -0.000 0.275) 10.097 0.729 ( -10.132 -0.000 0.464) 10.142 0.862 ( 5.443 0.000 -3.179) 6.304 0.959 ( 2.792 0.000 0.225) 2.801 1.033 ( -6.661 -0.000 -1.263) 6.779 1.063 ( -8.931 -0.000 1.664) 9.084 1.326 ( -10.553 -0.000 2.047) 10.749 1.425 ( 3.919 0.000 -3.918) 5.542 1.602 ( 12.503 0.000 3.982) 13.122 1.639 ( 1.343 0.000 -0.007) 1.343 1.802 ( 4.001 0.000 7.134) 8.179 1.884 ( 8.712 0.000 0.045) 8.712 2.078 ( 0.137 0.000 14.087) 14.088 2.590 ( -2.569 -0.000 -5.427) 6.004 2.657 ( -3.005 -0.000 1.457) 3.340 2.864 ( -0.628 -0.000 5.156) 5.194 3.108 ( -3.427 -0.000 -0.915) 3.547 3.370 ( -6.076 -0.000 -13.230) 14.559 3.505 ( -4.530 -0.000 -2.802) 5.326 3.523 ( -8.875 -0.000 0.366) 8.883 3.787 ( 1.595 0.000 -3.660) 3.992 3.969 ( 5.888 0.000 -5.028) 7.743 4.112 ( 2.642 0.000 0.193) 2.649 4.147 ( 0.069 0.000 -0.296) 0.304 4.799 ( -0.557 -0.000 -3.549) 3.592 5.000 ( -2.963 -0.000 3.912) 4.908 5.106 ( -0.884 -0.000 0.459) 0.996 5.414 ( 1.286 0.000 -1.237) 1.784 5.659 ( 0.934 0.000 -0.077) 0.937 5.746 ( 1.141 0.000 1.712) 2.057 ======================= Grid point 302 (132/231) ======================= q-point: (-0.23 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -10.211 -4.426 2.469) 11.400 0.643 ( -9.915 -1.498 1.947) 10.215 0.895 ( 4.129 -1.819 -0.304) 4.522 1.008 ( -0.885 -2.912 0.792) 3.145 1.100 ( -2.229 -8.657 -4.933) 10.210 1.138 ( -3.546 -9.398 3.179) 10.536 1.324 ( -6.652 -4.420 1.236) 8.082 1.430 ( 1.696 -0.558 -3.484) 3.915 1.542 ( 4.054 4.051 -1.020) 5.821 1.759 ( 3.767 -0.166 1.534) 4.071 1.871 ( 10.653 -8.777 7.067) 15.507 2.047 ( 5.164 -8.790 1.359) 10.285 2.061 ( -2.214 1.188 12.605) 12.853 2.556 ( -4.033 0.875 -6.930) 8.066 2.692 ( -2.389 -1.153 0.699) 2.743 2.911 ( 1.532 -5.606 3.545) 6.807 3.147 ( -1.346 -5.764 -0.603) 5.950 3.341 ( -7.911 -2.298 -8.811) 12.062 3.405 ( -2.024 1.984 -0.526) 2.883 3.633 ( -5.767 -6.730 -2.602) 9.237 3.768 ( 4.419 4.511 -4.519) 7.765 3.845 ( 2.529 5.610 -2.456) 6.626 4.098 ( 2.452 4.346 0.696) 5.038 4.273 ( 3.818 -8.328 -3.602) 9.844 4.795 ( -1.584 0.363 -4.175) 4.480 4.961 ( -4.900 2.466 -0.432) 5.503 5.085 ( 1.572 1.858 4.915) 5.485 5.414 ( 1.201 0.711 -0.832) 1.625 5.644 ( 0.832 2.193 0.657) 2.436 5.730 ( 0.675 2.042 1.260) 2.492 ======================= Grid point 303 (133/231) ======================= q-point: (-0.15 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -6.679 -8.984 5.951) 12.679 0.764 ( -2.369 -10.936 1.841) 11.340 0.960 ( 2.025 -2.955 -0.302) 3.595 1.071 ( 3.975 -2.589 0.139) 4.746 1.235 ( -2.387 -6.295 -5.933) 8.974 1.279 ( -3.249 -7.425 2.594) 8.509 1.370 ( 2.382 -2.220 -0.763) 3.344 1.523 ( 3.812 0.196 -1.576) 4.130 1.548 ( -6.789 -13.045 -0.664) 14.721 1.750 ( 3.206 2.249 1.723) 4.279 2.008 ( -3.631 2.661 9.246) 10.284 2.128 ( 9.436 -10.031 4.182) 14.392 2.207 ( 0.115 -6.529 3.709) 7.510 2.515 ( -4.836 0.639 -3.240) 5.856 2.653 ( -1.532 2.813 -0.806) 3.303 2.982 ( -3.372 -0.879 -2.141) 4.090 3.274 ( 1.676 -6.519 -1.149) 6.829 3.381 ( 0.993 0.177 -1.818) 2.079 3.416 ( 1.572 -6.767 0.578) 6.971 3.565 ( 0.975 7.424 -4.997) 9.002 3.744 ( 0.320 -0.861 -3.407) 3.528 3.858 ( 4.246 1.841 -1.850) 4.984 4.082 ( 2.841 -2.806 0.918) 4.098 4.416 ( 5.499 -4.344 -3.557) 7.859 4.749 ( -2.345 3.445 -3.870) 5.687 4.866 ( -3.575 4.437 -3.367) 6.618 5.058 ( 1.297 2.302 6.971) 7.455 5.406 ( 1.197 0.742 -0.474) 1.486 5.590 ( 0.259 3.666 2.311) 4.341 5.698 ( 0.216 1.590 -0.324) 1.637 ======================= Grid point 304 (134/231) ======================= q-point: (-0.08 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -3.571 -12.558 4.442) 13.790 0.961 ( 4.838 -8.350 0.929) 9.695 1.035 ( 0.832 -4.601 -0.735) 4.733 1.147 ( 2.655 -4.134 -1.032) 5.020 1.299 ( -0.093 -2.477 -0.631) 2.557 1.345 ( -4.150 -1.235 -5.560) 7.047 1.443 ( 1.484 -3.507 1.390) 4.054 1.565 ( 1.926 -2.096 -1.142) 3.067 1.721 ( 1.689 0.877 3.382) 3.881 1.765 ( -1.545 -9.221 -0.300) 9.354 1.939 ( -0.835 1.912 8.367) 8.624 2.264 ( -2.372 -3.362 2.221) 4.676 2.321 ( 1.461 -3.339 3.918) 5.351 2.488 ( -2.003 -0.968 -0.261) 2.240 2.591 ( -3.196 2.503 1.193) 4.231 2.952 ( -3.464 0.263 -1.628) 3.836 3.345 ( 1.955 -0.401 -3.049) 3.644 3.362 ( 3.532 5.096 -5.068) 8.008 3.517 ( 1.357 -2.405 -3.626) 4.558 3.568 ( 6.322 -6.750 0.721) 9.276 3.779 ( 2.162 -0.417 -2.486) 3.321 3.824 ( 5.763 1.373 -0.173) 5.926 4.161 ( -1.457 -3.503 0.361) 3.811 4.487 ( 4.689 0.675 -0.656) 4.782 4.660 ( 0.291 4.518 -2.429) 5.138 4.775 ( -2.303 3.275 -5.299) 6.641 5.014 ( 0.353 2.986 7.235) 7.835 5.401 ( 1.107 0.617 -0.259) 1.293 5.531 ( 0.056 2.643 2.175) 3.423 5.673 ( 0.356 1.279 -1.069) 1.704 ======================= Grid point 315 (135/231) ======================= q-point: (-0.23 -0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -11.155 -0.000 2.542) 11.441 0.599 ( -12.615 -0.000 1.915) 12.759 0.890 ( -5.372 -0.000 3.975) 6.683 0.955 ( -5.176 -0.000 -1.947) 5.530 0.960 ( -5.172 -0.000 1.018) 5.271 1.000 ( 2.846 0.000 1.000) 3.017 1.245 ( -3.082 -0.000 -1.830) 3.584 1.478 ( 5.718 0.000 -3.544) 6.727 1.652 ( 0.955 0.000 -0.006) 0.955 1.732 ( 8.645 0.000 2.193) 8.919 1.853 ( 5.412 0.000 4.601) 7.104 1.983 ( 8.558 0.000 -0.107) 8.559 2.082 ( 0.572 0.000 18.612) 18.621 2.530 ( -7.731 -0.000 -9.340) 12.125 2.621 ( -3.287 -0.000 1.714) 3.707 2.883 ( 3.759 0.000 6.271) 7.312 3.064 ( -4.092 -0.000 -1.534) 4.370 3.269 ( -11.248 -0.000 -13.961) 17.928 3.424 ( -8.388 -0.000 0.610) 8.411 3.463 ( -2.748 -0.000 -1.491) 3.126 3.814 ( 3.029 0.000 -4.934) 5.790 4.019 ( 2.769 0.000 -8.077) 8.539 4.131 ( 0.779 0.000 -0.380) 0.866 4.154 ( 1.077 0.000 0.335) 1.128 4.785 ( -1.781 -0.000 -3.398) 3.836 4.954 ( -4.791 -0.000 -0.267) 4.798 5.114 ( 1.691 0.000 5.238) 5.504 5.427 ( 0.986 0.000 -0.550) 1.129 5.667 ( 0.545 0.000 -0.565) 0.785 5.765 ( 2.117 0.000 2.258) 3.095 ======================= Grid point 316 (136/231) ======================= q-point: (-0.15 -0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -9.884 -3.293 4.941) 11.531 0.545 ( -6.948 -7.986 5.030) 11.720 0.923 ( -1.424 -6.224 2.046) 6.704 0.959 ( -6.092 -4.796 0.634) 7.779 1.075 ( -1.644 -10.033 -4.468) 11.106 1.121 ( 0.015 -8.291 3.873) 9.151 1.264 ( -2.314 -3.953 -2.250) 5.103 1.468 ( 4.063 2.901 -3.771) 6.256 1.585 ( 3.541 4.433 -0.229) 5.679 1.789 ( 1.383 0.078 3.853) 4.095 1.967 ( 2.948 -6.548 -3.580) 8.024 2.067 ( 5.413 -0.617 20.781) 21.484 2.108 ( 5.394 -5.518 1.086) 7.793 2.478 ( -8.922 -0.269 -7.706) 11.792 2.686 ( 1.182 -0.610 -1.917) 2.333 2.928 ( 1.296 -3.417 2.547) 4.455 3.140 ( 0.231 -7.959 -1.405) 8.085 3.257 ( -5.786 -7.321 -6.807) 11.551 3.386 ( -1.377 -0.372 -0.551) 1.529 3.564 ( -5.855 -7.956 -1.889) 10.057 3.819 ( 4.513 4.224 -5.984) 8.604 3.873 ( 2.380 4.389 -3.413) 6.048 4.128 ( 2.832 2.859 0.630) 4.073 4.307 ( 2.009 -10.182 -7.326) 12.704 4.768 ( -2.920 0.850 -3.524) 4.655 4.906 ( -4.573 2.298 -1.500) 5.333 5.108 ( 2.206 1.790 6.921) 7.482 5.425 ( 0.830 0.631 -0.264) 1.076 5.652 ( 0.384 2.209 0.479) 2.293 5.739 ( 0.787 3.062 1.745) 3.611 ======================= Grid point 317 (137/231) ======================= q-point: (-0.08 -0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -4.961 -11.229 5.758) 13.559 0.761 ( 1.325 -14.148 4.005) 14.764 0.972 ( 0.151 -2.357 -0.798) 2.493 1.115 ( -0.241 -8.601 -0.610) 8.626 1.172 ( -1.889 -2.980 -8.452) 9.159 1.281 ( 1.061 -7.194 6.159) 9.530 1.379 ( -1.553 -6.853 -0.214) 7.030 1.484 ( -3.671 -7.517 -2.435) 8.713 1.564 ( 3.373 -0.016 -0.850) 3.479 1.778 ( 1.520 1.640 3.760) 4.374 1.965 ( -3.639 1.194 5.370) 6.596 2.201 ( 2.278 -3.623 1.978) 4.715 2.252 ( 7.821 -6.783 7.215) 12.618 2.451 ( -5.932 -1.480 -3.369) 6.981 2.633 ( -1.915 3.806 -0.893) 4.354 2.940 ( -3.432 0.613 -2.825) 4.487 3.302 ( 3.630 -6.455 -2.004) 7.672 3.389 ( 0.187 -3.649 -1.982) 4.157 3.447 ( 3.456 -8.045 0.996) 8.812 3.567 ( -0.527 4.108 -4.892) 6.410 3.736 ( -1.375 0.759 -3.096) 3.471 3.901 ( 3.537 1.237 -2.407) 4.454 4.135 ( 5.747 -0.758 0.955) 5.875 4.480 ( 5.794 -5.788 -7.320) 10.985 4.716 ( -3.217 2.444 -4.347) 5.935 4.823 ( -3.685 3.894 -2.527) 5.927 5.076 ( 1.485 2.952 7.633) 8.317 5.418 ( 0.891 0.626 -0.149) 1.099 5.590 ( -0.427 3.824 3.065) 4.919 5.698 ( -0.158 1.494 -0.413) 1.558 ======================= Grid point 329 (138/231) ======================= q-point: (-0.15 -0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -9.035 -0.000 6.542) 11.155 0.451 ( -13.185 -0.000 4.653) 13.982 0.746 ( -15.328 -0.000 13.465) 20.402 0.902 ( -3.891 -0.000 -1.777) 4.278 0.952 ( 0.212 0.000 0.211) 0.299 1.036 ( 3.016 0.000 0.729) 3.103 1.249 ( 3.155 0.000 -5.304) 6.172 1.560 ( 9.285 0.000 -1.612) 9.424 1.660 ( 0.465 0.000 -0.005) 0.465 1.784 ( 1.417 0.000 4.822) 5.026 1.920 ( 4.849 0.000 -3.202) 5.811 2.073 ( 6.956 0.000 -0.219) 6.960 2.124 ( 6.385 0.000 22.891) 23.765 2.421 ( -9.843 -0.000 -10.114) 14.113 2.585 ( -2.986 -0.000 1.967) 3.576 2.946 ( 6.451 0.000 5.895) 8.739 3.019 ( -3.506 -0.000 -2.112) 4.093 3.104 ( -17.198 -0.000 -15.630) 23.239 3.337 ( -6.694 -0.000 0.797) 6.741 3.442 ( -0.973 -0.000 -0.473) 1.082 3.836 ( -0.394 -0.000 -7.571) 7.581 4.020 ( -1.844 -0.000 -10.603) 10.762 4.136 ( 0.362 0.000 -0.243) 0.437 4.166 ( 0.732 0.000 0.296) 0.790 4.761 ( -2.123 -0.000 -1.571) 2.641 4.901 ( -3.991 -0.000 -0.807) 4.072 5.142 ( 2.753 0.000 7.373) 7.870 5.435 ( 0.386 0.000 -0.030) 0.387 5.670 ( 0.031 0.000 -1.064) 1.064 5.796 ( 3.227 0.000 1.386) 3.512 ======================= Grid point 330 (139/231) ======================= q-point: (-0.08 -0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -6.217 -5.017 7.681) 11.083 0.495 ( -2.051 -13.437 7.739) 15.641 0.813 ( -12.504 -14.453 5.649) 19.929 0.953 ( 0.737 -0.335 0.226) 0.841 1.034 ( -3.793 -13.164 -1.562) 13.788 1.148 ( 3.080 -6.475 1.370) 7.299 1.267 ( 2.219 -0.587 -5.035) 5.533 1.507 ( 2.580 5.016 -3.046) 6.411 1.622 ( 2.987 3.874 0.270) 4.900 1.797 ( -0.025 -0.152 4.970) 4.973 1.952 ( -3.119 -0.022 1.445) 3.438 2.163 ( 4.364 -2.411 2.205) 5.452 2.177 ( 10.104 -6.318 11.831) 16.793 2.361 ( -10.846 -2.257 -7.434) 13.341 2.706 ( 1.764 3.156 -4.065) 5.441 2.939 ( 0.319 0.620 0.687) 0.979 3.155 ( 3.248 -11.218 -3.358) 12.152 3.222 ( 0.232 -13.728 -5.299) 14.717 3.371 ( -1.465 -4.035 -0.653) 4.342 3.506 ( -3.996 -6.358 -0.601) 7.533 3.861 ( 2.943 4.885 -7.134) 9.134 3.894 ( 1.115 -0.509 -6.775) 6.885 4.163 ( 3.416 -0.137 0.406) 3.443 4.305 ( -2.091 -12.930 -12.482) 18.093 4.735 ( -2.207 1.596 -1.133) 2.950 4.862 ( -2.645 2.204 -0.384) 3.464 5.137 ( 2.513 2.189 8.001) 8.668 5.432 ( 0.315 0.436 0.108) 0.548 5.652 ( -0.375 2.309 0.386) 2.371 5.747 ( 0.224 4.659 1.817) 5.006 ======================= Grid point 343 (140/231) ======================= q-point: (-0.08 -0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( -3.504 -0.000 11.886) 12.392 0.317 ( -9.582 -0.000 9.014) 13.155 0.590 ( -11.743 -0.000 20.399) 23.538 0.868 ( -1.902 -0.000 -1.758) 2.590 0.966 ( 3.225 0.000 0.669) 3.294 1.065 ( 1.863 0.000 0.610) 1.961 1.297 ( 5.116 0.000 -5.414) 7.449 1.663 ( 0.151 0.000 0.013) 0.151 1.682 ( 10.090 0.000 -1.864) 10.261 1.788 ( -0.363 -0.000 4.883) 4.896 1.977 ( 7.965 0.000 1.419) 8.091 2.137 ( 4.139 0.000 -0.313) 4.151 2.176 ( -2.297 -0.000 6.187) 6.600 2.357 ( 1.198 0.000 1.461) 1.890 2.556 ( -2.207 -0.000 2.129) 3.066 2.868 ( -19.428 -0.000 -13.748) 23.800 2.988 ( -1.654 -0.000 -2.504) 3.001 3.033 ( 7.170 0.000 4.774) 8.614 3.276 ( -3.980 -0.000 0.928) 4.087 3.441 ( 0.738 0.000 0.794) 1.084 3.753 ( -14.461 -0.000 -9.674) 17.398 4.003 ( 0.507 0.000 -7.218) 7.236 4.140 ( 0.410 0.000 0.017) 0.410 4.171 ( 0.143 0.000 0.124) 0.189 4.742 ( -1.056 -0.000 0.133) 1.064 4.875 ( 0.044 0.000 0.679) 0.681 5.176 ( 2.778 0.000 8.416) 8.862 5.436 ( -0.107 -0.000 0.283) 0.303 5.667 ( -0.640 -0.000 -1.368) 1.510 5.830 ( 1.801 0.000 -2.022) 2.708 ======================= Grid point 344 (141/231) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 0.633 0.000 5.184) 5.223 0.566 ( 2.884 0.000 11.265) 11.628 0.820 ( 0.078 0.000 -1.462) 1.464 0.856 ( -2.973 -0.000 -8.795) 9.284 0.904 ( 1.012 0.000 11.376) 11.421 1.087 ( 0.069 0.000 0.316) 0.324 1.387 ( 6.034 0.000 5.345) 8.061 1.615 ( -2.276 -0.000 -4.099) 4.688 1.665 ( 0.034 0.000 0.019) 0.039 1.691 ( -4.559 -0.000 -9.482) 10.521 2.006 ( -1.090 -0.000 1.377) 1.756 2.157 ( 0.245 0.000 -0.191) 0.311 2.182 ( -2.975 -0.000 0.576) 3.030 2.494 ( -2.316 -0.000 8.578) 8.885 2.580 ( -0.610 -0.000 1.568) 1.682 2.715 ( 10.082 0.000 -5.699) 11.581 2.931 ( 0.445 0.000 -1.779) 1.834 3.093 ( 1.816 0.000 -2.860) 3.388 3.267 ( -0.203 -0.000 0.485) 0.525 3.522 ( 0.858 0.000 3.577) 3.679 3.579 ( -2.632 -0.000 0.016) 2.632 3.878 ( 0.309 0.000 -5.483) 5.492 4.149 ( 0.260 0.000 0.142) 0.296 4.170 ( -0.165 -0.000 -0.020) 0.166 4.737 ( -0.178 -0.000 0.056) 0.186 4.890 ( 1.028 0.000 -0.519) 1.152 5.384 ( 0.581 0.000 7.135) 7.158 5.444 ( 0.414 0.000 0.468) 0.625 5.619 ( -0.669 -0.000 -2.392) 2.484 5.754 ( -1.073 -0.000 -2.387) 2.617 ======================= Grid point 345 (142/231) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 1.223 -8.554 7.124) 11.199 0.661 ( -3.771 6.457 4.853) 8.914 0.701 ( 3.880 -9.458 1.378) 10.316 0.880 ( -0.626 -3.321 -6.333) 7.178 1.073 ( 2.520 -12.281 1.957) 12.689 1.225 ( -0.684 -9.041 2.069) 9.299 1.307 ( 1.024 7.434 0.133) 7.505 1.533 ( 2.894 2.262 4.485) 5.797 1.663 ( 0.356 0.144 -0.508) 0.637 1.700 ( -4.968 -3.827 -6.420) 8.974 1.984 ( -2.010 1.005 4.416) 4.955 2.046 ( -3.737 -2.152 -1.853) 4.694 2.214 ( -1.643 -2.617 0.984) 3.242 2.494 ( 2.572 1.353 3.605) 4.630 2.672 ( 1.379 -2.098 -0.722) 2.612 2.929 ( 0.721 -2.303 1.125) 2.662 3.123 ( 3.541 -11.377 -10.434) 15.839 3.189 ( 3.374 -16.351 -3.815) 17.126 3.341 ( 0.858 -6.875 0.659) 6.959 3.519 ( -1.241 0.252 4.144) 4.333 3.668 ( -1.089 -11.411 -1.976) 11.632 3.749 ( -0.195 10.919 -5.085) 12.046 4.167 ( -1.009 -0.469 0.113) 1.118 4.219 ( 1.428 -4.898 -1.643) 5.359 4.720 ( 0.421 1.969 0.071) 2.014 4.868 ( 1.450 2.940 -1.193) 3.489 5.358 ( -0.355 2.769 6.316) 6.905 5.439 ( -0.028 0.709 0.150) 0.725 5.615 ( -0.437 0.189 -1.650) 1.717 5.712 ( -1.215 3.230 -0.679) 3.517 ======================= Grid point 346 (143/231) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -6.077 -5.477 1.703) 8.356 0.743 ( 1.278 -10.908 5.124) 12.120 0.892 ( 1.355 -7.586 1.813) 7.917 0.998 ( 2.513 -9.533 -4.167) 10.703 1.212 ( -5.009 -2.812 -3.262) 6.606 1.309 ( 4.850 -1.980 -0.939) 5.322 1.417 ( 1.596 -14.091 2.226) 14.355 1.531 ( 1.330 -0.016 0.917) 1.616 1.641 ( -0.714 2.285 -1.200) 2.678 1.780 ( -2.173 -3.426 1.770) 4.426 2.022 ( -0.684 -8.198 8.337) 11.713 2.141 ( -2.210 -8.545 -3.202) 9.389 2.263 ( -0.387 -2.979 0.832) 3.117 2.489 ( 3.362 0.817 1.190) 3.658 2.687 ( -0.115 1.600 2.666) 3.111 2.901 ( 2.830 3.955 -4.220) 6.438 3.255 ( -2.364 -5.100 -1.991) 5.964 3.414 ( -1.358 5.986 -0.054) 6.138 3.460 ( 3.902 -8.703 -3.818) 10.273 3.541 ( -1.607 -3.319 0.918) 3.800 3.578 ( -0.997 -1.379 -3.752) 4.120 3.860 ( -1.371 -4.597 -1.573) 5.049 4.195 ( -3.943 -3.265 1.261) 5.272 4.327 ( 1.090 -7.066 -4.766) 8.592 4.666 ( 1.028 4.326 -0.248) 4.453 4.806 ( 2.194 4.660 -1.828) 5.466 5.290 ( -0.035 4.338 4.812) 6.479 5.420 ( -1.062 0.840 -0.100) 1.357 5.598 ( -0.746 1.693 0.530) 1.925 5.649 ( -0.499 2.243 -0.584) 2.371 ======================= Grid point 347 (144/231) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -2.070 -12.284 1.472) 12.544 0.937 ( -0.001 -8.766 1.962) 8.983 1.044 ( -2.254 -9.690 1.275) 10.030 1.179 ( -1.095 -4.776 -2.236) 5.386 1.227 ( 0.204 -5.124 -1.681) 5.396 1.359 ( 3.507 -0.382 -2.488) 4.317 1.515 ( -0.878 0.609 2.282) 2.520 1.566 ( -2.316 2.395 -0.780) 3.422 1.707 ( 1.178 -8.535 -0.639) 8.640 1.777 ( -0.973 -1.822 1.735) 2.698 2.200 ( -2.542 -5.847 0.160) 6.378 2.301 ( 2.946 -5.028 4.315) 7.251 2.315 ( 1.619 -6.641 7.494) 10.143 2.507 ( 1.995 -1.274 1.650) 2.886 2.628 ( -0.431 3.468 2.438) 4.261 2.849 ( 2.549 2.301 -7.608) 8.347 3.193 ( -0.893 11.862 -3.591) 12.425 3.311 ( -1.757 -1.324 -2.867) 3.614 3.536 ( -2.197 -0.975 2.360) 3.368 3.616 ( -2.428 -6.387 -4.113) 7.976 3.717 ( -2.774 -7.004 -0.056) 7.534 3.864 ( -2.234 -0.315 0.026) 2.256 4.199 ( -0.446 0.670 0.106) 0.812 4.456 ( -3.242 -5.131 -1.071) 6.163 4.582 ( 1.527 4.823 -0.819) 5.125 4.731 ( 2.240 4.555 -2.601) 5.704 5.208 ( 0.122 4.581 3.409) 5.711 5.400 ( -1.434 0.523 0.121) 1.531 5.549 ( -0.787 2.561 1.449) 3.046 5.624 ( -0.347 0.825 -1.150) 1.458 ======================= Grid point 348 (145/231) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -1.351 -8.505 -1.136) 8.686 1.054 ( -0.825 -4.962 1.663) 5.298 1.160 ( -0.411 -1.109 2.858) 3.093 1.235 ( -2.274 -6.473 -2.020) 7.152 1.351 ( 0.868 -0.146 -1.084) 1.397 1.355 ( -3.129 -3.355 -4.040) 6.113 1.485 ( -2.430 2.603 2.348) 4.265 1.524 ( 1.111 -0.987 0.278) 1.512 1.698 ( 0.559 2.543 1.829) 3.182 1.930 ( 0.905 -7.067 0.101) 7.126 2.164 ( -3.108 5.469 -1.409) 6.446 2.320 ( 6.056 2.699 0.826) 6.681 2.490 ( 1.997 -3.186 18.785) 19.158 2.523 ( -3.491 -1.041 -0.555) 3.685 2.615 ( 1.192 -3.671 0.078) 3.860 2.895 ( 1.070 -6.045 -10.163) 11.873 3.012 ( 2.550 6.330 -3.279) 7.571 3.299 ( -2.481 1.816 -3.663) 4.783 3.513 ( -3.058 1.705 1.304) 3.736 3.672 ( -5.830 -3.678 -1.034) 6.970 3.807 ( -4.607 -5.567 0.810) 7.272 3.848 ( -6.211 1.159 -0.801) 6.369 4.221 ( 4.608 -2.466 -0.264) 5.233 4.421 ( 1.088 6.129 0.289) 6.231 4.545 ( -1.938 0.655 -0.039) 2.046 4.674 ( 0.609 2.549 -2.403) 3.556 5.128 ( -0.038 3.969 2.783) 4.847 5.387 ( -0.875 0.121 0.242) 0.916 5.503 ( -0.573 2.110 0.876) 2.355 5.605 ( -0.837 0.900 -1.172) 1.698 ======================= Grid point 349 (146/231) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -0.070 0.895 -2.281) 2.452 1.080 ( 1.584 5.000 -0.023) 5.245 1.182 ( -0.619 -4.325 2.933) 5.262 1.277 ( -1.870 -0.264 -0.563) 1.970 1.309 ( -4.420 2.329 -0.440) 5.016 1.402 ( -3.759 -0.590 0.584) 3.850 1.466 ( -0.124 -4.669 0.240) 4.677 1.587 ( 1.184 -3.472 -0.374) 3.687 1.670 ( 2.280 1.447 2.334) 3.570 1.966 ( -2.052 5.127 -5.491) 7.788 2.075 ( -1.683 -1.200 6.154) 6.492 2.271 ( 5.926 5.789 0.519) 8.301 2.480 ( -2.597 1.757 -4.511) 5.494 2.525 ( 0.265 -0.298 12.562) 12.568 2.724 ( -0.251 -6.108 1.023) 6.198 2.997 ( 3.403 -4.183 -6.646) 8.559 3.028 ( -0.238 -2.860 -0.373) 2.894 3.239 ( -0.143 1.257 -3.892) 4.093 3.473 ( -2.943 0.531 1.001) 3.154 3.677 ( -5.929 3.428 1.441) 6.999 3.755 ( -5.467 -1.192 -2.602) 6.171 3.900 ( -5.820 -6.174 0.269) 8.489 4.269 ( 3.935 4.937 0.180) 6.316 4.346 ( 3.710 -0.782 0.286) 3.802 4.513 ( -1.119 1.149 -0.625) 1.721 4.626 ( -1.399 2.779 -0.755) 3.201 5.068 ( 0.287 2.570 2.883) 3.873 5.385 ( -0.244 -0.206 0.056) 0.324 5.464 ( -0.536 1.764 0.526) 1.917 5.583 ( -0.945 0.778 -1.415) 1.871 ======================= Grid point 350 (147/231) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 0.574 5.778 -0.296) 5.814 1.082 ( 1.838 -1.567 -1.237) 2.713 1.187 ( -2.457 1.281 0.673) 2.852 1.228 ( -1.227 2.350 0.973) 2.824 1.329 ( 1.362 -2.683 1.117) 3.210 1.380 ( -2.092 -0.216 0.485) 2.158 1.563 ( -0.834 -3.947 0.157) 4.037 1.640 ( 0.380 -1.551 0.210) 1.611 1.661 ( 2.810 1.152 2.679) 4.050 1.830 ( -3.383 5.904 -3.737) 7.763 2.116 ( 0.284 -2.068 4.888) 5.316 2.204 ( 2.607 3.288 0.455) 4.220 2.404 ( -8.153 1.575 -2.216) 8.594 2.590 ( 7.598 -2.744 6.636) 10.455 2.790 ( -2.230 -1.469 -1.496) 3.061 3.006 ( -0.763 2.558 0.461) 2.709 3.099 ( 1.177 -3.729 -5.760) 6.962 3.301 ( 3.422 -5.163 -0.282) 6.200 3.454 ( -0.862 0.505 1.119) 1.500 3.536 ( -4.499 5.630 -1.640) 7.391 3.786 ( -2.397 -2.291 -1.797) 3.771 3.977 ( -4.884 -5.322 0.271) 7.228 4.163 ( 4.012 6.513 0.315) 7.657 4.397 ( 1.435 -1.206 0.516) 1.944 4.513 ( 0.630 -1.449 -1.146) 1.951 4.559 ( -1.745 3.088 0.128) 3.549 5.038 ( 0.207 0.984 3.386) 3.532 5.389 ( -0.066 -0.145 -0.206) 0.261 5.436 ( -0.228 0.743 0.526) 0.939 5.569 ( -0.361 0.227 -1.756) 1.807 ======================= Grid point 351 (148/231) ======================= q-point: (-0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -2.696 -6.288 -0.163) 6.843 1.083 ( 0.734 2.227 -1.321) 2.692 1.197 ( 3.006 -0.429 -0.425) 3.066 1.219 ( 1.298 -2.970 1.597) 3.613 1.366 ( -1.445 0.383 -2.706) 3.092 1.381 ( 2.793 -0.600 1.355) 3.162 1.553 ( -0.433 4.339 1.484) 4.606 1.637 ( 1.225 2.235 0.673) 2.636 1.685 ( 1.011 -1.200 1.596) 2.238 1.754 ( -0.067 -0.474 1.580) 1.651 2.137 ( 2.495 0.617 3.345) 4.218 2.204 ( -2.950 -3.331 0.933) 4.546 2.346 ( -7.819 -0.178 1.308) 7.930 2.655 ( 2.743 0.229 0.987) 2.924 2.794 ( 3.717 0.207 -0.751) 3.798 2.968 ( 0.463 2.255 2.986) 3.770 3.112 ( -1.957 0.551 -6.523) 6.833 3.329 ( -1.818 4.324 -2.913) 5.521 3.474 ( 0.307 0.109 -0.975) 1.028 3.519 ( 5.351 -7.289 0.329) 9.048 3.788 ( 0.863 1.585 -1.966) 2.669 3.980 ( 4.765 5.344 0.014) 7.160 4.158 ( -3.656 -6.183 0.794) 7.226 4.403 ( -0.991 1.061 0.050) 1.453 4.503 ( -0.381 1.259 -0.083) 1.318 4.566 ( 1.316 -2.883 -0.705) 3.246 5.032 ( -0.492 -0.389 3.932) 3.981 5.384 ( -0.106 0.391 0.102) 0.418 5.441 ( 0.324 -1.072 0.174) 1.134 5.572 ( 0.510 -0.495 -1.975) 2.099 ======================= Grid point 352 (149/231) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -0.390 -0.081 -1.729) 1.774 1.084 ( -2.223 -7.392 -0.464) 7.733 1.226 ( 2.024 1.578 -0.971) 2.744 1.248 ( 4.067 1.750 1.659) 4.729 1.315 ( -0.317 4.216 -0.621) 4.273 1.408 ( 3.565 1.939 -0.434) 4.082 1.480 ( -1.097 -0.508 -0.208) 1.227 1.578 ( 1.362 4.144 0.278) 4.370 1.699 ( -1.195 -1.129 -0.477) 1.712 1.837 ( 4.800 -4.882 7.468) 10.131 2.130 ( 3.094 1.916 1.331) 3.875 2.271 ( -6.093 -5.930 1.122) 8.576 2.328 ( -4.553 -2.130 5.788) 7.666 2.627 ( 0.245 3.238 0.456) 3.279 2.793 ( 3.530 4.267 3.194) 6.393 2.914 ( -3.879 -0.077 -1.296) 4.090 3.094 ( 1.384 3.659 -8.568) 9.419 3.244 ( -0.975 0.757 -3.908) 4.099 3.493 ( 2.307 -1.153 -1.121) 2.812 3.696 ( 7.320 -6.482 1.186) 9.849 3.748 ( 3.939 3.467 -3.200) 6.146 3.898 ( 6.029 6.337 0.441) 8.758 4.267 ( -3.758 -5.339 0.317) 6.537 4.346 ( -3.917 1.423 0.353) 4.182 4.516 ( 1.590 -1.900 -0.892) 2.633 4.625 ( 1.122 -2.386 -0.877) 2.779 5.051 ( -0.412 -1.926 4.495) 4.907 5.382 ( 0.255 -0.131 0.228) 0.367 5.471 ( 0.459 -1.750 0.031) 1.810 5.591 ( 0.951 -0.999 -1.977) 2.411 ======================= Grid point 353 (150/231) ======================= q-point: (-0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 1.293 5.275 -2.312) 5.903 1.108 ( -0.480 7.228 -2.722) 7.739 1.204 ( 3.256 5.543 1.549) 6.613 1.209 ( -3.064 -1.053 -0.074) 3.241 1.241 ( 3.253 2.825 2.585) 5.025 1.356 ( 1.007 3.152 -0.077) 3.310 1.516 ( -1.094 0.490 0.782) 1.432 1.539 ( 1.844 -1.186 -2.451) 3.288 1.723 ( 0.392 -1.979 -0.330) 2.044 1.903 ( 1.319 2.848 2.803) 4.208 2.123 ( 4.656 0.107 3.985) 6.129 2.314 ( -6.179 -1.933 1.614) 6.673 2.382 ( -0.802 -4.509 9.714) 10.740 2.555 ( 0.858 4.725 0.770) 4.864 2.674 ( -2.996 5.498 5.504) 8.337 2.956 ( -1.921 6.869 -4.260) 8.308 3.005 ( -1.200 -8.197 -12.773) 15.224 3.286 ( 2.821 -1.999 -1.950) 3.969 3.532 ( 2.211 -1.284 -0.753) 2.665 3.687 ( 5.404 5.029 -2.151) 7.689 3.819 ( 5.503 5.512 -0.163) 7.791 3.838 ( 6.157 -2.572 -0.187) 6.675 4.210 ( -4.831 3.238 0.666) 5.854 4.423 ( -1.194 -6.706 0.111) 6.812 4.567 ( 2.674 -1.502 -2.054) 3.692 4.657 ( -1.162 -1.454 -1.083) 2.153 5.101 ( 0.425 -3.378 5.209) 6.223 5.391 ( 0.695 -0.509 -0.068) 0.864 5.510 ( 0.424 -2.279 0.246) 2.331 5.615 ( 0.666 -1.139 -1.962) 2.365 ======================= Grid point 354 (151/231) ======================= q-point: (-0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -0.891 11.591 -1.984) 11.793 0.998 ( -1.147 5.362 -3.232) 6.365 1.076 ( 3.677 8.412 -1.022) 9.238 1.118 ( -0.069 9.892 2.486) 10.200 1.200 ( 0.244 2.059 0.103) 2.076 1.347 ( -1.462 -0.691 -0.981) 1.892 1.511 ( 1.303 0.557 3.280) 3.573 1.561 ( 1.418 -0.263 -0.808) 1.653 1.722 ( -2.175 11.810 -1.498) 12.102 1.787 ( 1.642 -0.870 0.843) 2.040 2.117 ( 3.489 5.515 7.075) 9.625 2.291 ( -2.437 1.088 2.277) 3.508 2.418 ( -5.310 2.602 2.367) 6.369 2.469 ( 1.347 1.635 2.343) 3.158 2.641 ( -0.132 -0.930 4.751) 4.843 2.830 ( -2.206 2.095 -7.586) 8.173 3.217 ( -0.120 -13.319 -6.331) 14.747 3.310 ( 2.076 0.889 -2.198) 3.151 3.529 ( 2.194 4.206 2.067) 5.175 3.613 ( 3.091 5.474 -2.472) 6.755 3.737 ( 1.749 7.001 -2.200) 7.544 3.867 ( 2.308 0.070 -0.320) 2.332 4.184 ( 1.095 -1.205 1.415) 2.157 4.484 ( 2.791 4.456 -3.499) 6.317 4.586 ( -1.545 -3.326 -1.727) 4.054 4.706 ( -1.830 -4.819 0.086) 5.156 5.176 ( 1.048 -4.186 6.010) 7.399 5.406 ( 1.004 -0.601 -0.320) 1.213 5.560 ( 0.282 -2.882 0.396) 2.923 5.638 ( -0.091 -1.136 -2.097) 2.386 ======================= Grid point 355 (152/231) ======================= q-point: (-0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 1.576 8.470 1.007) 8.674 0.863 ( -1.307 9.075 -4.041) 10.019 0.896 ( -6.760 10.012 4.110) 12.760 0.958 ( 0.486 5.428 -4.370) 6.985 1.175 ( 5.518 3.507 -0.016) 6.539 1.329 ( -3.877 1.638 -2.493) 4.891 1.426 ( -2.697 15.194 1.353) 15.490 1.477 ( 3.047 3.239 6.384) 7.780 1.602 ( 2.920 -2.094 1.263) 3.809 1.816 ( 0.202 0.511 -0.871) 1.029 2.013 ( 0.481 4.532 3.839) 5.959 2.238 ( -1.899 6.570 -3.808) 7.828 2.270 ( -3.687 4.898 -3.235) 6.932 2.470 ( -0.980 -0.513 4.335) 4.474 2.659 ( 2.353 0.281 4.968) 5.504 2.863 ( -0.383 -4.620 -1.935) 5.023 3.273 ( 2.263 4.993 -3.446) 6.475 3.388 ( 0.157 9.879 1.871) 10.056 3.453 ( -1.011 -7.979 -3.855) 8.919 3.515 ( 2.784 6.525 1.722) 7.300 3.624 ( -1.904 1.110 -5.091) 5.547 3.869 ( 1.057 3.284 -2.462) 4.238 4.216 ( 4.229 0.461 0.472) 4.280 4.314 ( -1.715 11.019 -5.163) 12.289 4.665 ( -0.704 -4.388 -0.113) 4.445 4.789 ( -1.098 -4.668 0.150) 4.798 5.264 ( 1.695 -4.331 6.791) 8.231 5.423 ( 0.848 -0.635 -0.230) 1.084 5.609 ( -0.140 -1.806 -0.590) 1.905 5.665 ( -0.579 -2.609 -1.693) 3.163 ======================= Grid point 356 (153/231) ======================= q-point: (-0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 2.077 4.798 7.216) 8.911 0.665 ( 1.954 10.597 5.676) 12.179 0.740 ( -8.189 -0.834 -1.116) 8.306 0.891 ( -0.789 2.463 -6.772) 7.249 1.056 ( 0.278 12.203 3.634) 12.736 1.216 ( 1.746 7.414 2.576) 8.041 1.290 ( 1.796 -2.304 2.333) 3.738 1.503 ( 2.275 -4.704 2.488) 5.788 1.653 ( 1.454 -1.779 0.072) 2.299 1.761 ( -4.910 3.098 -6.980) 9.078 1.983 ( 1.838 -0.154 2.431) 3.051 2.093 ( -4.205 2.607 -5.182) 7.165 2.219 ( 0.522 2.071 0.483) 2.189 2.479 ( 0.220 -0.668 6.944) 6.979 2.657 ( 0.979 0.379 -0.466) 1.149 2.929 ( -0.662 0.051 1.359) 1.512 3.075 ( 3.692 20.919 -7.404) 22.496 3.173 ( 0.280 10.691 -1.126) 10.754 3.348 ( -1.736 7.247 0.052) 7.452 3.528 ( -0.244 0.538 3.353) 3.405 3.678 ( -0.487 8.675 -4.484) 9.778 3.763 ( -1.809 -8.085 -5.379) 9.878 4.177 ( -0.559 1.924 -1.026) 2.251 4.201 ( 1.397 3.396 0.259) 3.682 4.721 ( -0.551 -2.026 -0.030) 2.100 4.858 ( 0.297 -2.894 0.011) 2.909 5.347 ( 1.893 -3.014 7.338) 8.155 5.437 ( 0.376 -0.441 0.081) 0.586 5.622 ( -0.669 -0.276 -2.133) 2.252 5.723 ( -0.628 -3.359 -1.748) 3.838 ======================= Grid point 358 (154/231) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 5.617 0.000 3.761) 6.760 0.608 ( 4.214 0.000 10.834) 11.625 0.803 ( -4.365 -0.000 -7.197) 8.417 0.833 ( 2.215 0.000 -1.440) 2.642 0.971 ( 8.241 0.000 7.251) 10.977 1.078 ( -1.493 -0.000 0.247) 1.513 1.412 ( -4.148 -0.000 -1.796) 4.520 1.570 ( -1.602 -0.000 3.659) 3.994 1.658 ( -2.282 -0.000 -6.820) 7.192 1.665 ( -0.123 -0.000 -0.015) 0.124 1.965 ( -5.003 -0.000 0.235) 5.009 2.070 ( -11.455 -0.000 5.852) 12.863 2.139 ( -3.407 -0.000 -0.368) 3.427 2.581 ( 11.148 0.000 5.090) 12.255 2.581 ( 0.728 0.000 1.917) 2.050 2.848 ( 12.050 0.000 -8.906) 14.984 2.951 ( 2.857 0.000 -1.946) 3.456 3.105 ( 0.911 0.000 -6.797) 6.858 3.285 ( 3.485 0.000 0.629) 3.541 3.521 ( 0.189 0.000 4.876) 4.879 3.577 ( 1.114 0.000 -1.063) 1.539 3.880 ( 0.207 0.000 -5.151) 5.155 4.148 ( -0.506 -0.000 -0.160) 0.531 4.169 ( 0.106 0.000 0.177) 0.206 4.741 ( 0.940 0.000 0.140) 0.951 4.904 ( 1.469 0.000 -1.744) 2.281 5.374 ( -2.549 -0.000 5.878) 6.407 5.450 ( 0.481 0.000 0.269) 0.551 5.614 ( -0.134 -0.000 -1.531) 1.537 5.737 ( -1.738 -0.000 -0.794) 1.911 ======================= Grid point 359 (155/231) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -4.490 -0.219 6.048) 7.535 0.675 ( 4.308 3.191 3.959) 6.664 0.764 ( 7.093 -9.832 2.700) 12.421 0.877 ( 0.638 -3.686 -4.953) 6.207 1.097 ( 0.511 -7.334 -1.434) 7.490 1.218 ( 0.577 -8.575 2.665) 8.998 1.303 ( -2.019 1.406 -1.661) 2.969 1.564 ( 1.532 2.304 1.685) 3.239 1.649 ( -2.149 -5.212 -0.766) 5.689 1.669 ( -0.401 0.492 0.010) 0.635 1.945 ( -4.542 0.235 4.664) 6.515 2.013 ( -1.634 -4.400 1.189) 4.842 2.182 ( -3.963 -4.379 1.529) 6.100 2.538 ( 4.756 2.018 1.175) 5.298 2.688 ( 1.600 -1.430 -0.839) 2.304 2.946 ( 2.022 -1.526 0.521) 2.586 3.136 ( -0.147 -4.347 -6.431) 7.763 3.238 ( 3.957 -19.068 -8.996) 21.451 3.367 ( 3.375 -5.007 1.022) 6.125 3.517 ( 1.466 0.979 4.997) 5.299 3.652 ( -1.608 -5.690 -5.339) 7.967 3.754 ( 0.890 7.493 -1.529) 7.699 4.154 ( -1.258 0.950 0.513) 1.658 4.229 ( 0.259 -5.828 -2.576) 6.377 4.731 ( 1.500 1.920 -0.168) 2.443 4.888 ( 1.993 2.660 -2.058) 3.910 5.342 ( -2.713 1.782 5.295) 6.211 5.437 ( -0.293 1.363 -0.618) 1.525 5.611 ( -0.114 0.350 -0.522) 0.638 5.697 ( -1.260 2.788 0.355) 3.080 ======================= Grid point 360 (156/231) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -4.845 -8.788 4.098) 10.839 0.775 ( 3.498 -7.703 5.859) 10.291 0.915 ( 2.170 -4.807 0.866) 5.344 1.031 ( 3.730 -9.368 -3.127) 10.557 1.154 ( -4.825 -3.426 -3.130) 6.695 1.350 ( 2.538 -2.765 -1.211) 3.944 1.448 ( 3.307 -12.490 2.793) 13.219 1.541 ( 0.563 -0.271 -1.249) 1.396 1.614 ( -3.514 2.076 -3.801) 5.577 1.750 ( -3.567 -2.465 2.466) 4.988 2.005 ( -2.562 -9.932 5.840) 11.803 2.147 ( 3.464 -8.711 4.315) 10.320 2.254 ( -1.224 -4.819 1.641) 5.236 2.540 ( 5.402 1.458 0.364) 5.608 2.680 ( -1.103 2.158 0.018) 2.423 2.929 ( 2.188 3.339 -4.867) 6.295 3.231 ( -1.576 -4.768 -1.962) 5.392 3.401 ( -0.841 7.150 1.710) 7.399 3.482 ( -1.138 -5.642 -5.609) 8.037 3.528 ( 0.553 -0.896 3.526) 3.680 3.565 ( -1.159 -4.172 -5.604) 7.082 3.843 ( -1.554 -3.530 -0.786) 3.936 4.153 ( -3.298 -3.101 1.085) 4.655 4.327 ( -0.804 -5.450 -3.319) 6.431 4.684 ( 1.990 4.332 -0.798) 4.833 4.833 ( 2.433 4.567 -2.215) 5.629 5.283 ( -1.371 3.356 3.915) 5.336 5.404 ( -1.675 1.274 -0.616) 2.193 5.589 ( -0.943 1.996 1.383) 2.604 5.646 ( -0.005 1.875 -0.326) 1.903 ======================= Grid point 361 (157/231) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -0.107 -13.307 2.878) 13.615 0.932 ( -0.790 -7.424 2.470) 7.864 1.030 ( -0.446 -7.347 0.750) 7.399 1.158 ( -2.024 -3.528 -1.909) 4.493 1.231 ( 0.324 -6.827 -1.812) 7.071 1.394 ( 2.067 0.799 -2.704) 3.496 1.508 ( -0.093 -0.117 3.385) 3.388 1.529 ( -3.811 2.596 -1.881) 4.980 1.714 ( -0.444 -2.979 -0.425) 3.042 1.773 ( 0.668 -8.370 1.191) 8.481 2.157 ( -4.322 -5.527 -1.873) 7.262 2.336 ( 2.434 -3.608 2.108) 4.836 2.351 ( 4.069 -9.552 11.251) 15.309 2.532 ( 2.053 1.863 3.608) 4.550 2.624 ( -0.015 2.348 -1.321) 2.694 2.880 ( 3.338 2.396 -6.908) 8.037 3.183 ( -0.657 10.278 -1.752) 10.447 3.290 ( -1.592 -0.623 -2.935) 3.397 3.504 ( -3.388 -0.627 1.927) 3.947 3.581 ( -3.592 -3.957 -3.305) 6.283 3.680 ( -3.460 -4.938 -0.446) 6.046 3.824 ( -5.042 0.553 -0.030) 5.072 4.201 ( 1.063 -2.493 -0.286) 2.725 4.419 ( -3.208 -4.754 -0.244) 5.741 4.601 ( 1.842 5.387 -0.779) 5.746 4.752 ( 1.585 5.095 -2.451) 5.872 5.206 ( -0.599 4.306 2.739) 5.138 5.380 ( -1.866 0.131 0.132) 1.875 5.540 ( -0.775 2.373 1.482) 2.903 5.620 ( -0.318 1.211 -0.897) 1.540 ======================= Grid point 362 (158/231) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -1.124 -6.928 -1.416) 7.160 1.047 ( -0.453 -6.822 2.703) 7.352 1.153 ( -1.100 -4.324 2.993) 5.373 1.218 ( -0.321 -4.161 -1.746) 4.524 1.310 ( -4.123 -1.134 -2.514) 4.960 1.354 ( -0.653 1.783 -2.511) 3.148 1.461 ( -1.439 1.165 2.461) 3.080 1.544 ( 2.249 -1.638 0.104) 2.784 1.702 ( -0.162 1.181 0.955) 1.527 1.939 ( 0.485 -6.125 0.618) 6.175 2.124 ( -3.834 5.447 -3.096) 7.345 2.393 ( 6.251 1.488 1.076) 6.515 2.465 ( -5.304 -1.231 1.611) 5.678 2.521 ( 1.511 -0.973 13.318) 13.438 2.633 ( 1.848 -2.985 0.030) 3.511 2.916 ( 2.922 -4.078 -7.116) 8.706 3.045 ( 3.315 3.906 -2.366) 5.643 3.268 ( -2.610 1.823 -4.002) 5.113 3.474 ( -3.750 1.629 1.522) 4.362 3.599 ( -6.768 -3.366 0.027) 7.559 3.754 ( -4.815 -6.058 0.360) 7.747 3.768 ( -7.167 2.659 -1.433) 7.777 4.272 ( 4.324 -3.367 -0.198) 5.484 4.427 ( -0.196 2.968 0.446) 3.008 4.531 ( -0.361 2.253 -0.276) 2.299 4.673 ( -0.717 3.703 -1.779) 4.170 5.129 ( 0.115 3.692 2.635) 4.538 5.376 ( -1.029 -0.441 0.316) 1.164 5.496 ( -0.678 2.077 0.801) 2.328 5.594 ( -0.950 1.124 -1.186) 1.889 ======================= Grid point 363 (159/231) ======================= q-point: ( 0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.730 -1.869 -2.322) 3.069 1.112 ( 3.438 5.851 1.198) 6.891 1.172 ( -1.456 -2.744 2.223) 3.820 1.244 ( -2.502 1.497 -1.771) 3.411 1.286 ( -0.669 -2.325 1.377) 2.783 1.357 ( -3.859 -0.686 -0.003) 3.920 1.478 ( 2.175 -3.593 1.053) 4.330 1.595 ( 0.353 -2.839 -1.262) 3.127 1.687 ( 0.562 0.610 1.528) 1.739 1.931 ( -3.878 6.962 -6.408) 10.226 2.058 ( -1.405 -3.135 5.544) 6.522 2.342 ( 6.377 6.993 0.577) 9.482 2.398 ( -8.464 2.967 1.152) 9.042 2.570 ( 3.624 -2.861 8.677) 9.829 2.720 ( -0.387 -4.624 -1.648) 4.924 3.009 ( 0.290 -3.489 -2.260) 4.167 3.054 ( 3.530 -0.660 -4.028) 5.396 3.242 ( 1.028 -1.955 -2.387) 3.252 3.440 ( -2.782 -0.344 1.259) 3.073 3.607 ( -6.309 2.588 1.536) 6.990 3.692 ( -5.379 -2.575 -2.608) 6.509 3.835 ( -5.558 -5.820 0.109) 8.048 4.314 ( 3.787 4.673 0.093) 6.016 4.381 ( 2.384 -0.779 0.396) 2.539 4.502 ( -0.657 0.457 -0.788) 1.123 4.603 ( -2.436 3.011 -0.449) 3.898 5.075 ( 0.800 2.535 3.078) 4.067 5.382 ( -0.235 -0.541 0.082) 0.595 5.457 ( -0.729 1.674 0.502) 1.893 5.572 ( -0.967 0.582 -1.556) 1.922 ======================= Grid point 364 (160/231) ======================= q-point: ( 0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 2.851 7.533 0.680) 8.083 1.098 ( 1.006 -1.300 -2.463) 2.961 1.167 ( -1.094 -0.878 0.524) 1.498 1.227 ( 1.017 1.136 0.848) 1.744 1.333 ( -1.127 -2.338 -0.422) 2.629 1.362 ( -0.421 -2.120 1.173) 2.459 1.569 ( 1.789 -3.149 1.138) 3.796 1.639 ( -0.734 -1.741 -0.643) 1.995 1.682 ( 0.860 0.282 1.717) 1.941 1.786 ( -3.963 4.874 -3.359) 7.123 2.117 ( -0.024 -2.964 3.684) 4.728 2.242 ( 3.473 6.152 0.724) 7.102 2.303 ( -8.864 1.282 5.096) 10.304 2.644 ( 0.519 -2.255 1.103) 2.563 2.787 ( 2.622 -3.042 -2.034) 4.502 3.012 ( 1.658 1.314 2.170) 3.030 3.097 ( -0.799 -1.042 -6.595) 6.724 3.341 ( 3.218 -4.304 -0.157) 5.376 3.456 ( 1.271 -2.228 1.361) 2.903 3.485 ( -4.207 4.069 -2.549) 6.384 3.755 ( -2.894 -4.531 -0.805) 5.436 3.914 ( -5.881 -6.682 0.264) 8.905 4.218 ( 5.209 7.062 0.073) 8.776 4.408 ( 0.512 -0.207 0.158) 0.575 4.518 ( 0.285 -1.879 -1.037) 2.165 4.537 ( -2.059 2.247 0.309) 3.063 5.043 ( 0.420 1.459 3.555) 3.866 5.390 ( 0.207 -0.062 -0.132) 0.254 5.432 ( -0.536 0.317 0.492) 0.793 5.565 ( -0.324 -0.278 -1.867) 1.915 ======================= Grid point 365 (161/231) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.737 -3.335 0.623) 3.472 1.085 ( -0.251 1.559 -2.537) 2.988 1.231 ( 1.990 -3.491 -0.241) 4.025 1.244 ( 3.720 -1.747 1.520) 4.382 1.345 ( -1.395 0.165 -2.607) 2.962 1.406 ( 1.260 -1.797 0.788) 2.332 1.560 ( 1.425 4.717 1.747) 5.228 1.645 ( -0.656 0.554 0.274) 0.901 1.665 ( -3.665 1.011 -2.511) 4.557 1.779 ( 4.061 -3.956 4.833) 7.449 2.158 ( 0.283 -1.218 1.856) 2.238 2.182 ( -0.909 0.768 0.684) 1.373 2.261 ( -6.139 -1.379 8.124) 10.276 2.652 ( -1.795 0.057 -2.404) 3.001 2.855 ( 5.572 -0.344 -0.954) 5.664 2.971 ( -0.785 5.111 4.696) 6.985 3.100 ( 0.954 -1.749 -6.486) 6.785 3.296 ( -3.584 5.458 -5.493) 8.533 3.479 ( 0.815 -1.737 -0.537) 1.992 3.587 ( 5.989 -8.246 0.130) 10.192 3.795 ( 0.546 -0.492 -0.984) 1.228 4.001 ( -1.444 -2.882 0.114) 3.226 4.149 ( 2.509 0.730 0.553) 2.671 4.383 ( -2.539 2.882 -0.015) 3.841 4.499 ( -0.184 -0.148 -0.505) 0.558 4.578 ( 0.821 -3.240 -0.432) 3.370 5.030 ( -0.080 -0.107 3.889) 3.892 5.385 ( 0.165 0.389 0.202) 0.468 5.443 ( -0.029 -1.365 0.101) 1.369 5.577 ( 0.379 -0.930 -1.929) 2.175 ======================= Grid point 366 (162/231) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.650 -4.557 -0.937) 4.697 1.079 ( 0.509 -2.315 -1.038) 2.588 1.233 ( -0.457 4.364 -1.389) 4.602 1.290 ( 1.485 0.131 0.411) 1.546 1.331 ( 4.557 2.136 2.529) 5.632 1.445 ( 2.378 1.318 0.193) 2.726 1.472 ( -0.038 1.565 -0.014) 1.566 1.589 ( 0.206 3.689 -1.217) 3.890 1.668 ( -3.805 -2.807 -0.952) 4.823 1.898 ( 5.284 -4.422 5.050) 8.542 2.153 ( 0.488 1.210 -1.168) 1.751 2.208 ( -4.876 -4.383 1.148) 6.656 2.295 ( -0.884 -4.362 12.777) 13.530 2.626 ( -0.222 2.645 0.144) 2.659 2.823 ( 0.846 8.782 5.332) 10.308 2.876 ( -2.035 -1.364 -4.156) 4.824 3.104 ( 0.420 6.391 -10.860) 12.609 3.236 ( -0.121 -3.710 -3.006) 4.776 3.515 ( 1.560 -1.388 -0.596) 2.171 3.772 ( 4.602 -7.268 -1.235) 8.691 3.787 ( 3.894 2.113 -0.731) 4.490 3.963 ( 5.180 5.965 0.214) 7.903 4.230 ( -2.684 -3.564 0.232) 4.468 4.296 ( -4.651 0.265 0.454) 4.681 4.533 ( 1.334 -2.708 -1.106) 3.215 4.633 ( 0.249 -1.899 -0.911) 2.121 5.052 ( 0.356 -2.135 4.323) 4.834 5.385 ( 0.261 -0.300 0.198) 0.445 5.474 ( 0.109 -1.877 0.085) 1.882 5.599 ( 0.568 -1.098 -1.810) 2.192 ======================= Grid point 367 (163/231) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.695 6.938 -1.911) 7.230 1.096 ( -1.419 5.282 -2.313) 5.938 1.177 ( -1.781 -2.941 0.841) 3.539 1.251 ( 3.668 6.986 0.535) 7.909 1.279 ( 3.221 4.510 3.132) 6.366 1.366 ( 0.810 5.035 -0.182) 5.103 1.501 ( -1.146 -1.518 0.705) 2.028 1.558 ( 0.811 -0.311 -1.937) 2.123 1.718 ( -1.057 -4.003 -0.532) 4.174 1.912 ( 0.244 6.166 0.460) 6.188 2.175 ( 3.914 -2.076 2.351) 5.016 2.255 ( -4.004 -3.021 1.476) 5.228 2.385 ( 0.816 -3.539 15.190) 15.618 2.565 ( 0.794 4.588 0.599) 4.694 2.641 ( -2.917 6.436 4.982) 8.646 2.934 ( -1.670 7.718 -6.029) 9.935 2.990 ( -0.809 -9.005 -12.658) 15.555 3.314 ( 2.106 -2.085 -2.000) 3.575 3.551 ( 1.027 -1.541 -0.076) 1.853 3.735 ( 2.952 4.976 -2.527) 6.314 3.865 ( 2.929 3.948 -0.433) 4.935 3.902 ( 4.120 1.490 0.076) 4.382 4.162 ( -3.276 1.057 0.863) 3.549 4.408 ( -1.150 -8.117 0.036) 8.198 4.599 ( 2.731 -2.416 -2.156) 4.236 4.638 ( -1.959 0.467 -1.265) 2.378 5.110 ( 0.847 -3.570 4.862) 6.091 5.397 ( 0.368 -0.756 -0.023) 0.841 5.513 ( 0.055 -2.331 0.410) 2.367 5.620 ( 0.186 -0.915 -1.767) 1.998 ======================= Grid point 368 (164/231) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -0.210 11.126 -0.264) 11.131 0.966 ( -3.340 7.536 -2.731) 8.683 1.099 ( -0.762 10.047 -0.736) 10.102 1.133 ( 3.123 11.386 2.467) 12.062 1.222 ( 2.510 -1.379 -0.378) 2.889 1.325 ( -1.660 0.944 -2.702) 3.308 1.521 ( 0.475 -0.095 2.739) 2.781 1.576 ( 0.977 -1.245 0.126) 1.588 1.700 ( -1.215 12.981 -1.105) 13.085 1.797 ( -0.005 -2.143 1.156) 2.435 2.161 ( 3.742 7.987 8.028) 11.926 2.275 ( -0.401 -0.577 1.364) 1.534 2.361 ( -4.731 4.545 2.036) 6.869 2.478 ( 0.580 2.873 1.373) 3.237 2.638 ( -0.554 -3.221 5.869) 6.718 2.817 ( 0.206 1.300 -8.042) 8.149 3.212 ( -0.434 -13.588 -6.077) 14.892 3.327 ( 0.904 1.102 -2.394) 2.786 3.548 ( 0.995 3.769 2.568) 4.668 3.637 ( 1.217 6.250 -4.103) 7.575 3.746 ( 0.038 9.572 -0.593) 9.591 3.881 ( 0.432 -0.027 -0.476) 0.643 4.199 ( 1.125 -3.304 1.101) 3.659 4.502 ( 0.365 4.586 -3.420) 5.732 4.572 ( -0.776 -2.604 -1.609) 3.158 4.694 ( 0.018 -4.913 -0.476) 4.936 5.190 ( 1.034 -4.428 5.386) 7.049 5.414 ( 0.260 -0.777 -0.094) 0.825 5.561 ( -0.163 -2.865 0.773) 2.972 5.634 ( -0.380 -0.812 -1.887) 2.089 ======================= Grid point 369 (165/231) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 1.614 6.146 2.984) 7.020 0.779 ( -7.609 9.342 -1.401) 12.129 0.885 ( 0.128 11.190 3.116) 11.617 0.972 ( 2.031 7.468 -4.122) 8.768 1.239 ( 4.938 2.920 -0.487) 5.757 1.277 ( -4.132 2.504 -3.008) 5.692 1.410 ( -0.349 14.061 1.754) 14.175 1.509 ( 2.339 1.542 3.602) 4.563 1.631 ( 2.022 -2.077 1.419) 3.227 1.804 ( -1.953 2.385 -0.047) 3.083 2.021 ( 0.394 5.705 6.582) 8.719 2.186 ( -4.939 9.162 -6.745) 12.403 2.263 ( 0.302 2.092 0.641) 2.209 2.466 ( 0.551 -0.647 2.134) 2.297 2.681 ( 1.109 -0.475 4.865) 5.012 2.872 ( 2.090 -4.519 -3.070) 5.849 3.279 ( -1.212 4.513 -2.541) 5.319 3.408 ( 3.093 8.530 -0.586) 9.093 3.438 ( -1.143 -3.924 -2.629) 4.859 3.541 ( 1.462 5.815 1.025) 6.083 3.598 ( -2.204 -0.207 -4.277) 4.816 3.872 ( -0.474 4.163 -2.367) 4.812 4.233 ( -1.918 1.212 1.336) 2.633 4.309 ( 1.631 10.688 -5.883) 12.308 4.661 ( -0.025 -4.393 -0.086) 4.394 4.788 ( 0.930 -4.763 -0.730) 4.908 5.282 ( 1.070 -4.654 5.912) 7.599 5.427 ( -0.154 -0.669 0.034) 0.687 5.605 ( -0.477 -1.564 -0.251) 1.654 5.657 ( -0.732 -2.578 -1.083) 2.891 ======================= Grid point 372 (166/231) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 7.996 0.000 2.005) 8.244 0.672 ( 6.489 0.000 11.523) 13.225 0.759 ( -2.749 -0.000 -9.808) 10.186 0.869 ( 4.053 0.000 -1.256) 4.243 1.056 ( -2.331 -0.000 0.131) 2.334 1.070 ( 7.647 0.000 4.515) 8.881 1.299 ( -12.108 -0.000 -4.895) 13.061 1.598 ( 2.838 0.000 9.111) 9.542 1.624 ( -2.018 -0.000 -3.533) 4.068 1.661 ( -0.503 -0.000 -0.029) 0.504 1.916 ( -3.063 -0.000 -3.774) 4.860 1.972 ( -6.070 -0.000 10.243) 11.907 2.082 ( -6.421 -0.000 -0.418) 6.434 2.599 ( 2.242 0.000 1.891) 2.933 2.690 ( 7.264 0.000 1.856) 7.497 2.952 ( 5.867 0.000 -0.894) 5.935 2.991 ( 4.098 0.000 -1.669) 4.425 3.120 ( 2.133 0.000 -13.598) 13.765 3.344 ( 6.644 0.000 0.594) 6.670 3.546 ( 3.719 0.000 2.880) 4.704 3.589 ( 1.149 0.000 -3.511) 3.694 3.877 ( -0.613 -0.000 -3.885) 3.933 4.138 ( -1.090 -0.000 -0.263) 1.121 4.170 ( -0.019 -0.000 0.175) 0.176 4.756 ( 1.399 0.000 -0.279) 1.426 4.923 ( 2.106 0.000 -2.051) 2.940 5.336 ( -4.148 -0.000 5.120) 6.589 5.451 ( -0.322 -0.000 -1.175) 1.218 5.615 ( 0.322 0.000 -0.212) 0.386 5.717 ( -1.625 -0.000 0.593) 1.730 ======================= Grid point 373 (167/231) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -2.415 6.580 6.396) 9.489 0.728 ( 4.392 -1.175 0.294) 4.556 0.858 ( 8.586 -7.280 2.655) 11.566 0.901 ( 4.211 -4.220 -1.857) 6.244 1.075 ( -3.525 -2.137 -3.359) 5.317 1.239 ( -0.987 -9.441 0.163) 9.494 1.273 ( 0.549 -6.497 0.537) 6.543 1.556 ( -2.288 1.903 -5.124) 5.925 1.636 ( -1.173 1.590 0.019) 1.976 1.672 ( 0.714 -2.698 6.617) 7.181 1.890 ( -5.009 -0.686 4.252) 6.606 2.018 ( 2.561 -7.415 4.970) 9.286 2.128 ( -5.351 -6.556 1.807) 8.654 2.592 ( 4.169 1.057 -0.976) 4.411 2.710 ( 2.389 1.404 0.089) 2.773 2.970 ( 2.028 0.163 -0.122) 2.038 3.131 ( -0.045 -4.688 -4.595) 6.565 3.257 ( -0.012 -14.766 -6.447) 16.112 3.413 ( 4.436 -2.208 0.486) 4.979 3.558 ( 4.916 1.992 1.453) 5.499 3.633 ( -1.095 -0.563 -6.517) 6.633 3.762 ( 0.312 3.872 0.027) 3.885 4.138 ( -1.570 2.030 0.638) 2.644 4.223 ( -1.127 -5.882 -2.450) 6.471 4.751 ( 1.819 1.615 -1.006) 2.632 4.913 ( 2.633 2.507 -1.750) 4.034 5.305 ( -3.788 0.846 4.536) 5.970 5.429 ( -1.067 1.821 -1.839) 2.799 5.610 ( -0.160 0.822 0.772) 1.138 5.686 ( -0.631 2.132 0.775) 2.355 ======================= Grid point 374 (168/231) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.777 -10.649 6.600) 12.552 0.823 ( 4.346 -5.023 3.472) 7.495 0.935 ( 1.580 -3.460 -0.405) 3.825 1.070 ( 0.501 -3.770 -2.237) 4.413 1.113 ( 0.087 -6.913 -1.134) 7.006 1.370 ( 1.021 -5.504 -1.104) 5.706 1.476 ( 0.731 -5.497 2.800) 6.212 1.550 ( 1.762 -5.851 -3.235) 6.914 1.568 ( -4.204 1.904 -3.427) 5.748 1.701 ( -4.783 -1.505 2.091) 5.432 1.973 ( -3.029 -9.326 4.356) 10.729 2.208 ( 5.920 -9.332 8.972) 14.235 2.238 ( -1.416 -7.237 1.784) 7.587 2.604 ( 5.348 1.204 -1.741) 5.752 2.666 ( -0.878 3.552 -0.041) 3.659 2.948 ( 1.226 2.529 -5.124) 5.844 3.220 ( -0.231 -3.963 -1.635) 4.293 3.396 ( -0.305 6.890 3.039) 7.536 3.449 ( -3.332 -0.414 -2.930) 4.456 3.529 ( -1.345 -5.503 -0.289) 5.673 3.562 ( 1.025 0.249 -5.484) 5.585 3.819 ( -2.891 -0.807 -0.305) 3.017 4.126 ( -1.224 -3.656 0.489) 3.886 4.310 ( -1.893 -4.798 -1.823) 5.471 4.708 ( 2.111 4.369 -1.405) 5.052 4.859 ( 2.357 4.874 -1.758) 5.692 5.262 ( -2.458 2.165 3.417) 4.734 5.383 ( -2.002 1.704 -1.223) 2.900 5.579 ( -0.807 2.137 1.761) 2.885 5.648 ( 0.293 1.833 -0.201) 1.867 ======================= Grid point 375 (169/231) ======================= q-point: ( 0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 2.347 -12.918 4.171) 13.777 0.928 ( -0.021 -4.899 0.784) 4.961 1.027 ( 0.027 -6.053 0.121) 6.054 1.139 ( -1.034 -5.165 -0.391) 5.282 1.232 ( -0.133 -4.834 -1.103) 4.960 1.393 ( -2.039 2.342 -2.373) 3.908 1.481 ( -3.893 2.739 -1.012) 4.867 1.526 ( 2.562 -2.810 2.779) 4.710 1.694 ( -2.688 -1.653 -1.358) 3.435 1.791 ( 1.937 -10.323 1.019) 10.552 2.109 ( -3.827 -5.594 -0.945) 6.844 2.363 ( 2.311 -6.189 3.321) 7.394 2.385 ( 0.482 -5.534 5.038) 7.500 2.557 ( 2.479 4.913 7.114) 8.994 2.634 ( 2.121 0.070 -2.923) 3.612 2.918 ( 3.418 1.202 -6.296) 7.264 3.180 ( 0.231 8.613 -0.382) 8.625 3.277 ( -0.424 0.863 -2.577) 2.751 3.464 ( -3.750 -0.895 1.658) 4.197 3.534 ( -4.505 -0.507 -2.404) 5.131 3.642 ( -3.057 -3.885 -1.043) 5.052 3.751 ( -7.404 1.548 -0.618) 7.589 4.222 ( 2.457 -4.783 -0.435) 5.395 4.385 ( -2.778 -4.392 0.189) 5.200 4.621 ( 1.707 5.750 -0.785) 6.049 4.765 ( 0.683 6.033 -1.875) 6.354 5.196 ( -1.135 3.544 2.604) 4.542 5.359 ( -1.814 -0.279 -0.005) 1.835 5.533 ( -0.609 2.307 1.314) 2.724 5.616 ( -0.313 1.700 -0.832) 1.919 ======================= Grid point 376 (170/231) ======================= q-point: ( 0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -0.120 -5.146 -1.597) 5.389 1.046 ( 0.313 -8.153 3.347) 8.818 1.134 ( -2.216 -4.863 0.902) 5.420 1.226 ( 1.614 -2.788 -0.739) 3.305 1.268 ( -2.926 -0.348 0.303) 2.962 1.334 ( -2.574 1.118 -1.473) 3.169 1.456 ( 0.337 -1.290 0.704) 1.507 1.571 ( 2.297 -0.534 0.581) 2.429 1.694 ( -1.205 0.150 -0.365) 1.268 1.941 ( -0.014 -5.138 0.717) 5.188 2.077 ( -4.004 6.072 -4.748) 8.686 2.400 ( -5.724 0.804 0.302) 5.788 2.454 ( 4.091 -0.305 3.192) 5.198 2.543 ( 2.051 -1.136 9.104) 9.401 2.656 ( 2.089 -1.351 1.575) 2.945 2.955 ( 3.934 -2.497 -5.229) 7.004 3.086 ( 3.853 2.170 -1.719) 4.745 3.239 ( -2.201 1.797 -3.752) 4.707 3.430 ( -3.935 1.505 1.491) 4.469 3.523 ( -6.384 -3.267 1.241) 7.278 3.679 ( -7.184 -0.654 -2.487) 7.630 3.711 ( -3.707 -2.681 -0.078) 4.576 4.317 ( 3.408 -3.520 -0.061) 4.900 4.418 ( -1.157 0.006 0.402) 1.224 4.534 ( 0.648 3.901 -0.443) 3.979 4.658 ( -1.571 4.872 -1.157) 5.248 5.133 ( 0.409 3.048 2.903) 4.229 5.365 ( -0.996 -0.981 0.284) 1.427 5.488 ( -0.646 2.152 0.642) 2.336 5.584 ( -0.869 1.359 -1.322) 2.085 ======================= Grid point 377 (171/231) ======================= q-point: ( 0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.466 -2.472 -2.229) 3.361 1.128 ( -1.943 2.319 0.819) 3.134 1.164 ( 1.075 -2.125 2.393) 3.377 1.242 ( 2.162 2.567 0.298) 3.369 1.282 ( -0.282 -3.662 1.035) 3.816 1.320 ( -2.285 -0.359 -0.725) 2.424 1.516 ( 4.382 -3.614 1.181) 5.802 1.594 ( -0.616 -1.742 -1.742) 2.540 1.686 ( -0.679 -0.001 0.271) 0.731 1.874 ( -5.850 7.763 -6.711) 11.812 2.048 ( -0.571 -4.007 3.857) 5.590 2.304 ( -7.505 4.354 6.221) 10.676 2.415 ( 5.911 7.510 0.321) 9.563 2.590 ( -0.677 -3.145 3.191) 4.531 2.724 ( 1.375 -4.565 0.055) 4.768 3.016 ( 0.966 -1.607 0.135) 1.880 3.087 ( 2.264 0.363 -6.593) 6.980 3.262 ( 2.374 -5.003 -0.932) 5.615 3.413 ( -1.958 -1.820 1.077) 2.882 3.540 ( -5.168 1.544 1.813) 5.690 3.635 ( -4.445 -3.046 -2.555) 5.964 3.775 ( -4.765 -5.325 -0.220) 7.150 4.353 ( 3.081 3.679 0.152) 4.801 4.401 ( 1.186 -0.648 0.345) 1.395 4.497 ( -0.358 0.212 -0.852) 0.948 4.573 ( -2.594 3.139 -0.228) 4.078 5.087 ( 0.982 2.592 3.467) 4.439 5.380 ( -0.155 -0.981 0.123) 1.001 5.448 ( -0.742 1.691 0.414) 1.893 5.561 ( -0.771 0.399 -1.770) 1.972 ======================= Grid point 378 (172/231) ======================= q-point: ( 0.62 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 2.691 6.515 1.090) 7.133 1.101 ( -0.351 1.491 -2.753) 3.150 1.160 ( -0.307 -3.126 0.426) 3.170 1.251 ( 2.751 -0.478 1.291) 3.076 1.323 ( 0.562 -1.537 -2.033) 2.610 1.363 ( 0.092 -3.437 1.199) 3.642 1.588 ( -1.117 -1.407 -0.119) 1.800 1.619 ( -1.296 -0.741 -0.535) 1.586 1.683 ( -0.637 0.465 -0.704) 1.058 1.753 ( -0.847 0.617 -0.599) 1.207 2.119 ( 0.098 -3.377 1.264) 3.607 2.203 ( -6.779 1.893 9.646) 11.941 2.293 ( 3.499 7.310 2.168) 8.389 2.619 ( -3.534 -1.632 -3.327) 5.121 2.832 ( 4.186 -4.805 0.258) 6.378 3.029 ( 0.034 0.778 3.642) 3.724 3.092 ( 1.171 0.220 -7.051) 7.151 3.364 ( 0.544 0.519 -1.883) 2.028 3.438 ( -2.957 -0.472 -1.851) 3.520 3.489 ( 3.424 -4.581 0.405) 5.734 3.725 ( -2.188 -6.603 0.717) 6.993 3.850 ( -5.102 -6.297 -0.369) 8.113 4.276 ( 4.751 6.182 0.147) 7.798 4.408 ( -0.591 0.855 -0.171) 1.054 4.511 ( -1.763 1.917 -0.341) 2.627 4.523 ( 0.012 -2.714 -0.182) 2.721 5.048 ( 0.389 1.893 3.717) 4.190 5.394 ( 0.566 -0.052 0.012) 0.568 5.425 ( -0.802 -0.008 0.382) 0.889 5.561 ( -0.220 -0.676 -1.974) 2.098 ======================= Grid point 379 (173/231) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 2.389 -1.165 1.219) 2.924 1.073 ( -1.798 0.141 -3.634) 4.057 1.247 ( 0.958 -4.572 0.701) 4.724 1.276 ( 0.909 0.336 0.550) 1.114 1.357 ( 4.540 -1.244 -1.490) 4.938 1.412 ( -0.020 -1.882 0.707) 2.010 1.573 ( -3.781 2.091 -0.432) 4.342 1.588 ( -2.635 0.018 0.428) 2.670 1.652 ( -0.453 2.443 -1.038) 2.693 1.835 ( 5.091 -5.321 2.753) 7.862 2.148 ( -4.468 0.164 4.105) 6.069 2.154 ( -0.425 -0.087 -0.662) 0.791 2.246 ( 2.107 -0.830 10.643) 10.881 2.628 ( -1.965 -1.270 -3.958) 4.598 2.910 ( 4.240 1.315 -1.125) 4.580 2.947 ( -3.257 5.086 4.339) 7.437 3.126 ( 2.581 -2.828 -3.969) 5.514 3.251 ( -3.591 6.343 -7.563) 10.504 3.490 ( 0.876 -2.574 0.041) 2.719 3.643 ( 3.427 -8.384 -1.005) 9.113 3.806 ( 1.549 -1.954 0.148) 2.498 3.967 ( -3.536 -8.249 0.160) 8.976 4.196 ( 4.698 4.566 0.315) 6.559 4.347 ( -3.610 4.529 0.084) 5.793 4.498 ( -0.046 -1.276 -0.862) 1.541 4.585 ( 0.403 -3.296 -0.275) 3.332 5.032 ( 0.162 -0.115 3.759) 3.764 5.388 ( 0.287 0.483 0.255) 0.617 5.441 ( -0.223 -1.620 0.064) 1.637 5.579 ( 0.169 -1.204 -1.854) 2.218 ======================= Grid point 380 (174/231) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 0.364 -4.923 -0.856) 5.010 1.084 ( 0.259 -1.463 -1.199) 1.909 1.217 ( -1.977 4.964 -0.626) 5.380 1.297 ( 0.310 -0.056 0.802) 0.861 1.404 ( 7.272 1.842 3.487) 8.273 1.451 ( -0.747 -2.536 0.802) 2.763 1.486 ( 1.569 5.987 -0.141) 6.191 1.564 ( -5.020 1.245 -3.532) 6.263 1.632 ( -1.565 -2.778 0.298) 3.203 1.954 ( 4.064 -2.832 1.374) 5.140 2.144 ( -1.644 -1.044 -0.445) 1.998 2.163 ( -2.487 -3.415 1.398) 4.450 2.317 ( 3.417 -4.368 15.314) 16.288 2.624 ( -0.105 1.908 -1.029) 2.171 2.801 ( -3.905 7.638 4.576) 9.723 2.881 ( 2.234 1.334 -3.092) 4.042 3.095 ( -1.390 8.526 -11.732) 14.570 3.239 ( 0.688 -6.574 -2.495) 7.066 3.526 ( 0.351 -1.279 -0.089) 1.329 3.789 ( -0.147 -2.948 -1.951) 3.538 3.838 ( 3.234 -2.778 0.154) 4.266 4.009 ( 2.426 4.018 0.031) 4.693 4.211 ( -0.716 3.522 0.146) 3.597 4.249 ( -2.771 -5.275 0.572) 5.986 4.543 ( 0.357 -3.184 -1.003) 3.357 4.633 ( 0.076 -1.518 -1.062) 1.854 5.059 ( 0.536 -2.405 3.933) 4.641 5.387 ( 0.155 -0.326 0.151) 0.391 5.474 ( -0.113 -1.950 0.189) 1.962 5.602 ( 0.091 -1.116 -1.626) 1.974 ======================= Grid point 381 (175/231) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -0.207 8.259 -1.422) 8.383 1.079 ( -1.461 4.324 -0.876) 4.647 1.166 ( -0.510 -2.489 1.150) 2.789 1.273 ( 0.307 5.222 -0.521) 5.257 1.319 ( 2.913 6.280 1.661) 7.119 1.375 ( 0.817 7.095 -0.448) 7.156 1.493 ( -0.214 -2.378 1.067) 2.615 1.553 ( -1.468 -1.507 -1.348) 2.498 1.704 ( -1.252 -4.906 0.239) 5.069 1.914 ( 0.281 7.765 -0.331) 7.777 2.207 ( 0.946 -4.110 0.093) 4.219 2.229 ( 0.103 -3.871 1.178) 4.048 2.411 ( 2.800 -1.103 19.041) 19.277 2.569 ( -0.212 4.895 0.281) 4.908 2.615 ( -1.678 5.675 4.125) 7.214 2.914 ( -1.522 8.691 -10.271) 13.541 2.983 ( 0.175 -9.932 -8.666) 13.183 3.329 ( 0.435 -1.980 -2.395) 3.138 3.555 ( -0.444 -1.732 0.502) 1.857 3.749 ( -0.370 4.646 -2.403) 5.244 3.882 ( -0.271 3.104 -0.086) 3.117 3.924 ( -0.216 4.641 0.064) 4.647 4.146 ( 0.621 -0.898 0.556) 1.225 4.401 ( -0.062 -8.491 0.044) 8.491 4.603 ( -2.390 -2.177 -0.059) 3.233 4.637 ( 2.250 0.464 -3.261) 3.989 5.120 ( 0.699 -3.711 4.166) 5.623 5.399 ( -0.088 -0.789 0.041) 0.795 5.512 ( -0.228 -2.317 0.622) 2.410 5.619 ( -0.258 -0.765 -1.521) 1.722 ======================= Grid point 382 (176/231) ======================= q-point: (-0.08 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -1.722 10.921 0.648) 11.075 0.939 ( -0.985 9.210 -0.353) 9.269 1.075 ( -2.904 11.076 1.217) 11.515 1.169 ( 2.677 9.805 -0.272) 10.168 1.234 ( -0.632 -1.375 -1.714) 2.286 1.325 ( 2.060 1.733 -2.748) 3.847 1.522 ( -0.384 -0.390 2.072) 2.143 1.580 ( -0.317 -1.831 0.346) 1.890 1.697 ( 0.480 11.472 -1.206) 11.545 1.789 ( -1.150 -1.310 1.889) 2.571 2.200 ( 2.262 8.437 6.896) 11.129 2.280 ( 1.090 -0.301 0.686) 1.323 2.317 ( -2.651 6.715 3.868) 8.190 2.488 ( 1.222 2.911 1.078) 3.336 2.633 ( -0.621 -3.699 5.082) 6.317 2.827 ( 1.662 -0.779 -7.971) 8.180 3.204 ( -0.707 -13.070 -5.164) 14.071 3.327 ( -0.783 1.352 -2.607) 3.039 3.551 ( -0.542 2.373 2.664) 3.608 3.637 ( -0.930 6.764 -4.693) 8.284 3.739 ( -1.223 9.532 0.158) 9.612 3.880 ( -0.683 0.001 -0.270) 0.735 4.204 ( -0.207 -2.963 0.623) 3.035 4.489 ( -2.251 5.130 -2.311) 6.060 4.570 ( 0.516 -3.751 -1.070) 3.934 4.706 ( 1.953 -4.570 -1.878) 5.313 5.202 ( 0.734 -4.564 4.413) 6.391 5.412 ( -0.636 -0.754 0.045) 0.987 5.557 ( -0.571 -2.760 1.178) 3.054 5.629 ( -0.422 -0.679 -1.529) 1.725 ======================= Grid point 386 (177/231) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 8.119 0.000 0.755) 8.154 0.697 ( -4.165 -0.000 1.317) 4.368 0.790 ( 9.468 0.000 0.083) 9.469 0.922 ( 5.046 0.000 -0.911) 5.127 1.030 ( -1.995 -0.000 -0.166) 2.002 1.087 ( -6.353 -0.000 -3.891) 7.450 1.230 ( 2.574 0.000 2.490) 3.581 1.568 ( -3.809 -0.000 -5.313) 6.537 1.653 ( -0.995 -0.000 -0.018) 0.995 1.660 ( 3.270 0.000 10.101) 10.617 1.875 ( -4.689 -0.000 -2.070) 5.125 1.953 ( 2.784 0.000 11.911) 12.232 1.998 ( -8.226 -0.000 -0.395) 8.235 2.631 ( 3.180 0.000 1.636) 3.576 2.742 ( 2.030 0.000 -0.206) 2.040 2.996 ( 2.690 0.000 4.893) 5.584 3.039 ( 4.316 0.000 -1.108) 4.456 3.136 ( 0.948 0.000 -15.331) 15.361 3.432 ( 8.629 0.000 0.393) 8.638 3.576 ( 0.913 0.000 -4.273) 4.370 3.625 ( 5.562 0.000 -1.399) 5.735 3.860 ( -2.339 -0.000 -2.607) 3.503 4.123 ( -1.727 -0.000 -0.091) 1.730 4.168 ( -0.347 -0.000 -0.068) 0.353 4.770 ( 1.036 0.000 -1.245) 1.620 4.953 ( 3.209 0.000 -0.986) 3.357 5.288 ( -4.319 -0.000 4.338) 6.122 5.441 ( -1.447 -0.000 -2.584) 2.962 5.619 ( 0.270 0.000 0.939) 0.977 5.703 ( -0.780 -0.000 1.071) 1.325 ======================= Grid point 387 (178/231) ======================= q-point: ( 0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 1.254 6.982 6.603) 9.691 0.773 ( 3.733 -3.057 -2.458) 5.414 0.938 ( 5.163 1.002 0.136) 5.261 0.976 ( 6.944 -9.013 0.892) 11.413 1.038 ( -0.966 -0.730 -2.902) 3.145 1.182 ( -5.806 -12.125 -1.116) 13.490 1.326 ( 5.686 -8.116 2.667) 10.262 1.523 ( -2.970 1.541 -4.772) 5.828 1.614 ( -2.391 3.282 -1.901) 4.484 1.671 ( -1.669 0.600 6.204) 6.452 1.839 ( -4.110 -2.840 2.689) 5.674 2.065 ( -5.585 -8.887 1.389) 10.588 2.073 ( 6.555 -8.559 10.895) 15.327 2.628 ( 2.438 0.868 -2.668) 3.717 2.738 ( 2.215 1.940 1.636) 3.368 2.989 ( 1.256 1.748 -1.085) 2.411 3.137 ( 1.392 -4.665 -2.978) 5.707 3.243 ( -1.794 -11.335 -4.425) 12.300 3.461 ( 3.788 0.640 -1.944) 4.306 3.614 ( 4.459 4.197 -1.372) 6.275 3.629 ( 0.943 2.588 -4.304) 5.110 3.758 ( -0.818 0.749 0.018) 1.109 4.120 ( -1.507 2.433 0.529) 2.910 4.203 ( -2.180 -5.520 -1.688) 6.170 4.769 ( 1.261 1.119 -1.936) 2.568 4.948 ( 3.519 2.739 -0.500) 4.487 5.262 ( -3.815 0.292 3.780) 5.379 5.411 ( -2.054 1.974 -2.690) 3.918 5.608 ( -0.201 1.318 1.560) 2.052 5.684 ( 0.120 1.592 0.608) 1.708 ======================= Grid point 388 (179/231) ======================= q-point: ( 0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 5.929 -10.472 7.396) 14.125 0.861 ( 1.600 -3.898 -2.149) 4.730 0.965 ( 4.005 -1.817 0.701) 4.454 1.040 ( -2.507 -3.014 -0.971) 4.039 1.146 ( 2.429 -5.247 -0.562) 5.809 1.372 ( -0.732 -6.783 -0.506) 6.841 1.469 ( -0.802 -1.889 2.154) 2.975 1.518 ( -4.542 3.084 -1.823) 5.785 1.581 ( 3.348 -10.177 -3.532) 11.280 1.651 ( -3.593 -1.920 1.738) 4.429 1.942 ( -2.662 -8.544 4.709) 10.112 2.220 ( -1.277 -9.696 2.886) 10.197 2.274 ( 4.028 -7.943 7.452) 11.613 2.633 ( 0.627 -0.350 -4.275) 4.335 2.690 ( 4.397 5.337 3.239) 7.636 2.954 ( 0.230 1.632 -5.333) 5.582 3.225 ( 0.979 -3.090 -0.828) 3.346 3.389 ( -1.519 -2.386 3.322) 4.363 3.419 ( -1.342 10.118 -2.729) 10.565 3.512 ( -1.147 -6.007 -3.422) 7.007 3.572 ( 0.690 4.103 -3.569) 5.482 3.773 ( -5.237 2.759 -0.045) 5.919 4.127 ( 1.422 -5.005 -0.220) 5.207 4.285 ( -2.443 -4.799 -0.612) 5.420 4.729 ( 1.556 4.199 -1.741) 4.804 4.885 ( 2.305 5.849 -0.962) 6.360 5.231 ( -2.985 1.258 3.249) 4.588 5.359 ( -1.997 1.674 -1.643) 3.080 5.572 ( -0.394 2.212 1.649) 2.787 5.652 ( 0.337 2.030 -0.242) 2.072 ======================= Grid point 389 (180/231) ======================= q-point: ( 0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 3.668 -10.983 4.472) 12.413 0.926 ( -0.426 -4.231 -2.520) 4.943 1.041 ( 2.724 -3.616 1.030) 4.643 1.137 ( 0.718 -7.296 1.299) 7.446 1.222 ( -1.884 -2.926 -1.117) 3.655 1.354 ( -4.430 2.768 -1.331) 5.391 1.442 ( -3.063 1.018 -0.129) 3.230 1.559 ( 2.687 -3.037 2.210) 4.618 1.663 ( -2.089 -2.423 -1.974) 3.759 1.811 ( 1.326 -9.358 0.594) 9.470 2.074 ( -2.148 -5.541 1.159) 6.054 2.355 ( -5.266 -1.283 -2.151) 5.832 2.393 ( 2.603 -7.869 3.611) 9.041 2.596 ( 3.685 5.313 8.658) 10.806 2.668 ( 3.430 -0.706 -0.750) 3.581 2.951 ( 2.587 -0.706 -6.211) 6.766 3.188 ( 1.157 6.625 0.117) 6.726 3.283 ( 1.751 3.206 -2.064) 4.196 3.423 ( -3.242 -0.972 1.314) 3.630 3.480 ( -4.734 2.600 -0.794) 5.459 3.608 ( -3.250 -1.952 -1.176) 3.970 3.665 ( -7.036 0.282 -2.284) 7.403 4.252 ( 2.660 -5.611 -0.417) 6.223 4.356 ( -2.145 -4.286 0.358) 4.807 4.639 ( 1.334 6.000 -0.786) 6.197 4.768 ( -0.043 7.186 -1.236) 7.291 5.183 ( -1.351 2.352 2.978) 4.028 5.341 ( -1.306 -0.554 -0.346) 1.460 5.528 ( -0.365 2.378 1.055) 2.627 5.613 ( -0.224 2.153 -0.928) 2.355 ======================= Grid point 390 (181/231) ======================= q-point: ( 0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.473 -4.325 -1.919) 4.755 1.055 ( 1.007 -7.796 3.540) 8.621 1.109 ( -1.691 -2.425 -0.496) 2.998 1.229 ( -1.724 -0.633 -2.212) 2.875 1.267 ( 3.223 -3.793 4.826) 6.933 1.301 ( -2.829 -0.374 -0.733) 2.946 1.462 ( 0.209 -3.811 -0.476) 3.847 1.589 ( 0.637 0.052 0.881) 1.088 1.681 ( -0.777 -0.202 -1.052) 1.324 1.937 ( -0.908 -3.341 -0.556) 3.506 2.032 ( -3.549 6.691 -3.870) 8.506 2.342 ( -4.085 0.636 0.075) 4.135 2.489 ( 2.262 -1.267 5.421) 6.009 2.568 ( 1.502 -0.332 3.176) 3.529 2.681 ( 2.110 0.504 3.555) 4.165 2.999 ( 3.859 -1.870 -5.059) 6.632 3.130 ( 3.715 2.190 -0.987) 4.424 3.216 ( -1.704 1.524 -2.828) 3.637 3.387 ( -3.723 0.879 0.813) 3.911 3.461 ( -4.305 -3.332 2.546) 6.010 3.605 ( -5.435 -1.487 -2.854) 6.317 3.676 ( -2.386 -2.294 -1.029) 3.466 4.349 ( 2.162 -3.379 0.058) 4.012 4.405 ( -1.026 -1.545 0.170) 1.863 4.541 ( 0.496 4.659 -0.380) 4.701 4.640 ( -1.390 5.708 -0.732) 5.921 5.138 ( 0.333 2.274 3.458) 4.152 5.355 ( -0.692 -1.355 0.087) 1.524 5.482 ( -0.444 2.278 0.499) 2.374 5.575 ( -0.546 1.562 -1.543) 2.263 ======================= Grid point 391 (182/231) ======================= q-point: ( 0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.010 -1.716 -2.200) 2.790 1.099 ( -2.296 -1.059 0.245) 2.541 1.176 ( 0.804 -2.688 1.669) 3.265 1.262 ( 0.042 3.522 2.741) 4.463 1.280 ( -0.002 -4.451 -0.233) 4.457 1.326 ( 4.009 -0.452 0.553) 4.072 1.561 ( -0.004 -4.807 -1.615) 5.071 1.583 ( 1.495 0.788 0.010) 1.690 1.676 ( -0.988 -0.363 -0.564) 1.194 1.800 ( -6.540 7.185 -5.246) 11.042 2.046 ( 0.038 -4.100 2.099) 4.606 2.243 ( -2.732 5.716 7.765) 10.022 2.473 ( 4.022 7.775 0.134) 8.755 2.563 ( -3.352 -1.689 -0.458) 3.781 2.746 ( 1.960 -6.020 2.776) 6.913 3.029 ( 1.047 0.252 0.332) 1.127 3.102 ( 0.798 0.357 -6.617) 6.675 3.288 ( 1.945 -6.646 -0.230) 6.929 3.395 ( -1.489 -2.865 -0.253) 3.239 3.499 ( -1.665 0.477 2.411) 2.968 3.592 ( -2.761 -3.277 -2.485) 4.954 3.729 ( -3.114 -4.734 -0.504) 5.689 4.382 ( 1.879 2.344 0.272) 3.017 4.410 ( 0.460 -0.408 0.068) 0.619 4.491 ( -0.669 0.227 -0.366) 0.796 4.550 ( -1.307 3.401 -0.451) 3.672 5.097 ( 0.528 2.662 3.901) 4.753 5.379 ( -0.050 -1.430 0.136) 1.438 5.441 ( -0.457 1.825 0.314) 1.907 5.554 ( -0.361 0.286 -1.997) 2.050 ======================= Grid point 392 (183/231) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 2.014 3.351 0.523) 3.944 1.090 ( -1.354 5.675 -2.284) 6.266 1.158 ( -0.153 -4.686 0.434) 4.708 1.273 ( 1.099 -1.646 0.981) 2.210 1.359 ( 4.330 -1.681 -1.070) 4.766 1.363 ( 0.548 -2.883 0.840) 3.053 1.514 ( -8.764 0.745 -2.539) 9.155 1.630 ( 1.013 0.401 1.667) 1.991 1.673 ( -0.916 0.730 -1.171) 1.657 1.764 ( 1.720 -4.418 -0.282) 4.749 2.105 ( -2.622 -1.994 2.440) 4.099 2.177 ( 2.586 0.783 8.326) 8.753 2.324 ( 1.617 8.048 2.390) 8.549 2.579 ( -3.024 -2.071 -4.046) 5.459 2.869 ( 1.868 -5.527 1.180) 5.952 3.016 ( -1.565 2.346 1.830) 3.361 3.113 ( 1.761 -0.620 -4.514) 4.884 3.355 ( -1.357 5.845 -4.228) 7.341 3.420 ( -0.445 -5.204 0.325) 5.233 3.523 ( 1.874 -5.646 -1.124) 6.054 3.716 ( 0.913 -8.703 1.981) 8.972 3.802 ( -3.159 -5.199 -1.213) 6.203 4.320 ( 2.648 5.125 0.346) 5.779 4.395 ( -1.390 2.141 -0.154) 2.557 4.495 ( -0.710 1.336 -0.379) 1.560 4.524 ( 0.143 -3.033 -0.264) 3.048 5.052 ( 0.076 2.089 3.823) 4.357 5.402 ( 0.880 -0.107 0.159) 0.901 5.415 ( -0.937 -0.136 0.234) 0.975 5.559 ( -0.046 -0.864 -2.038) 2.214 ======================= Grid point 393 (184/231) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 1.999 0.202 1.159) 2.319 1.046 ( -2.403 -1.325 -3.357) 4.336 1.248 ( -0.852 -3.872 1.212) 4.146 1.283 ( 0.864 1.229 -0.468) 1.574 1.406 ( -1.206 -1.780 1.336) 2.531 1.416 ( 1.927 -2.960 -0.251) 3.541 1.493 ( -3.096 -1.818 -1.459) 3.876 1.600 ( 1.190 3.282 2.001) 4.024 1.642 ( -1.253 2.069 -0.734) 2.528 1.882 ( 2.490 -6.146 -0.761) 6.674 2.108 ( -2.206 -0.558 5.442) 5.898 2.159 ( 1.059 2.558 -0.282) 2.783 2.286 ( 4.460 -1.650 9.985) 11.059 2.605 ( -2.081 -2.256 -4.909) 5.790 2.901 ( -3.970 5.987 3.324) 7.915 2.963 ( 4.343 0.962 -0.071) 4.449 3.127 ( -2.682 -2.449 -1.325) 3.866 3.230 ( 0.824 6.317 -8.913) 10.956 3.495 ( -0.079 -2.683 0.267) 2.698 3.657 ( -0.816 -8.011 -0.957) 8.109 3.828 ( 1.510 -1.805 -0.280) 2.370 3.941 ( -0.199 -10.274 0.115) 10.276 4.231 ( -0.177 4.888 0.429) 4.910 4.317 ( -0.228 5.310 0.247) 5.320 4.498 ( 0.079 -1.583 -1.000) 1.874 4.587 ( 0.007 -3.279 -0.230) 3.287 5.035 ( 0.113 -0.272 3.557) 3.569 5.391 ( 0.200 0.596 0.193) 0.657 5.439 ( -0.192 -1.756 0.124) 1.771 5.580 ( -0.052 -1.262 -1.765) 2.170 ======================= Grid point 394 (185/231) ======================= q-point: (-0.15 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.666 -4.238 -1.482) 4.539 1.082 ( -0.527 -2.380 -0.896) 2.597 1.197 ( -1.361 5.221 1.131) 5.512 1.297 ( -0.346 0.115 0.906) 0.976 1.434 ( -2.540 -2.485 0.520) 3.591 1.479 ( 1.496 2.171 1.914) 3.259 1.485 ( -2.865 0.823 -1.049) 3.161 1.508 ( 1.498 4.316 -0.992) 4.675 1.628 ( 0.415 -1.902 0.671) 2.060 1.984 ( 1.177 -1.715 -1.903) 2.819 2.117 ( -2.567 -2.559 2.786) 4.571 2.167 ( 2.506 -3.038 0.918) 4.043 2.370 ( 5.023 -3.816 13.893) 15.258 2.618 ( -1.378 0.720 -3.358) 3.700 2.756 ( -3.732 7.029 5.008) 9.403 2.912 ( 3.241 2.856 -2.286) 4.888 3.071 ( -2.111 8.124 -9.833) 12.929 3.245 ( 0.265 -6.180 -3.262) 6.993 3.523 ( -1.047 -1.098 0.330) 1.552 3.774 ( -2.312 -3.248 -0.552) 4.025 3.848 ( -1.320 -2.109 -0.973) 2.672 4.010 ( -2.311 4.152 -0.063) 4.752 4.206 ( 0.389 2.182 0.614) 2.300 4.254 ( 3.085 -4.290 0.155) 5.286 4.540 ( -0.803 -2.886 -0.727) 3.082 4.635 ( 0.218 -1.732 -1.163) 2.098 5.064 ( 0.233 -2.595 3.416) 4.296 5.388 ( -0.010 -0.229 0.102) 0.251 5.472 ( -0.223 -1.949 0.330) 1.989 5.600 ( -0.368 -1.060 -1.467) 1.846 ======================= Grid point 395 (186/231) ======================= q-point: (-0.08 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -0.928 8.918 -1.076) 9.030 1.064 ( -1.084 4.183 0.498) 4.350 1.162 ( -0.250 -1.454 1.670) 2.229 1.262 ( -1.992 6.511 -1.169) 6.909 1.339 ( 1.130 3.249 -0.603) 3.492 1.379 ( -0.661 6.851 -1.900) 7.140 1.496 ( 0.480 -1.409 1.082) 1.840 1.530 ( -2.152 -2.723 0.356) 3.489 1.695 ( -0.230 -4.035 1.440) 4.290 1.920 ( 0.822 7.795 -0.293) 7.844 2.194 ( -2.108 -5.327 -0.586) 5.759 2.260 ( 4.301 -3.537 0.825) 5.629 2.452 ( 3.301 0.903 19.806) 20.099 2.556 ( -2.125 4.731 0.104) 5.188 2.607 ( 0.105 3.965 2.052) 4.466 2.897 ( -0.724 7.824 -12.106) 14.433 2.990 ( 1.487 -8.692 -5.069) 10.171 3.322 ( -1.382 -1.860 -3.026) 3.811 3.541 ( -1.906 -1.768 0.962) 2.772 3.726 ( -3.500 4.153 -1.862) 5.741 3.856 ( -3.818 4.704 0.406) 6.072 3.903 ( -3.375 1.735 -0.045) 3.795 4.172 ( 3.655 0.520 -0.061) 3.692 4.407 ( 1.080 -7.884 0.144) 7.958 4.572 ( -2.722 -0.559 0.001) 2.778 4.660 ( 1.801 -1.436 -2.916) 3.715 5.127 ( 0.240 -3.896 3.359) 5.150 5.395 ( -0.548 -0.567 0.134) 0.800 5.508 ( -0.420 -2.221 0.807) 2.400 5.614 ( -0.597 -0.760 -1.296) 1.616 ======================= Grid point 400 (187/231) ======================= q-point: ( 0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -6.172 -0.000 0.627) 6.204 0.748 ( 6.915 0.000 0.253) 6.920 0.905 ( 8.172 0.000 1.300) 8.275 0.966 ( 1.367 0.000 -0.263) 1.392 1.014 ( -2.830 -0.000 -5.258) 5.971 1.026 ( 2.671 0.000 -0.964) 2.840 1.286 ( 5.357 0.000 4.050) 6.716 1.527 ( -3.275 -0.000 -4.678) 5.710 1.639 ( -1.345 -0.000 -0.011) 1.345 1.676 ( -0.695 -0.000 6.457) 6.494 1.816 ( -5.472 -0.000 -3.019) 6.249 1.901 ( -8.538 -0.000 -0.298) 8.543 2.031 ( 9.455 0.000 17.547) 19.933 2.668 ( 3.166 0.000 1.293) 3.420 2.743 ( -1.573 -0.000 -0.444) 1.634 3.021 ( 1.414 0.000 5.042) 5.237 3.086 ( 3.830 0.000 -0.518) 3.865 3.134 ( -0.390 -0.000 -15.122) 15.127 3.534 ( 8.993 0.000 0.120) 8.993 3.583 ( 1.076 0.000 -5.092) 5.205 3.688 ( 5.145 0.000 -2.381) 5.670 3.822 ( -4.286 -0.000 -1.587) 4.570 4.099 ( -2.451 -0.000 0.280) 2.467 4.163 ( -0.600 -0.000 -0.430) 0.738 4.778 ( 0.473 0.000 -1.944) 2.001 4.995 ( 4.134 0.000 0.705) 4.193 5.243 ( -3.681 -0.000 3.236) 4.901 5.417 ( -2.574 -0.000 -3.283) 4.172 5.622 ( 0.249 0.000 1.497) 1.517 5.700 ( 0.091 0.000 0.757) 0.762 ======================= Grid point 401 (188/231) ======================= q-point: ( 0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 4.270 2.372 6.457) 8.097 0.813 ( 3.411 -2.052 -3.416) 5.246 0.941 ( -3.379 -1.019 -3.779) 5.171 1.041 ( 5.287 0.162 -0.132) 5.291 1.064 ( 0.275 -4.966 -2.106) 5.401 1.153 ( 3.599 -13.452 3.001) 14.245 1.388 ( 4.711 -7.519 3.077) 9.391 1.487 ( -3.277 1.576 -1.923) 4.114 1.587 ( -2.070 3.610 -2.616) 4.915 1.639 ( -3.775 2.876 2.517) 5.372 1.797 ( -3.522 -5.252 1.480) 6.494 2.006 ( -4.791 -11.037 1.216) 12.093 2.164 ( 8.192 -6.790 14.789) 18.219 2.648 ( 1.170 1.694 -2.799) 3.475 2.756 ( 0.715 -0.216 2.119) 2.247 2.997 ( 0.221 2.853 -1.793) 3.377 3.158 ( 2.011 -4.164 -1.314) 4.807 3.222 ( -1.500 -9.638 -5.605) 11.250 3.494 ( 2.193 3.583 -3.942) 5.761 3.640 ( 0.897 9.788 -1.504) 9.944 3.661 ( 3.427 1.925 -1.892) 4.363 3.748 ( -0.723 -1.702 -0.535) 1.925 4.107 ( -0.703 1.293 0.207) 1.486 4.174 ( -2.836 -4.799 -0.826) 5.636 4.778 ( 0.514 0.702 -2.182) 2.349 4.991 ( 4.086 3.251 0.708) 5.270 5.222 ( -3.396 0.137 3.023) 4.549 5.383 ( -2.686 1.781 -2.963) 4.378 5.608 ( 0.145 1.608 1.564) 2.248 5.687 ( 0.442 1.400 0.227) 1.486 ======================= Grid point 402 (189/231) ======================= q-point: ( 0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 7.825 -9.193 6.818) 13.865 0.858 ( -1.314 -2.292 -5.854) 6.422 0.993 ( 0.363 -6.458 -0.181) 6.471 1.055 ( 4.589 0.434 0.781) 4.675 1.148 ( -1.372 -3.949 -1.181) 4.345 1.346 ( -3.651 -2.757 0.188) 4.579 1.457 ( -4.438 1.592 1.069) 4.835 1.490 ( 2.723 -3.614 1.846) 4.888 1.608 ( 0.364 -3.272 -3.852) 5.067 1.631 ( 0.851 -8.724 1.098) 8.834 1.916 ( -1.950 -8.647 5.176) 10.265 2.210 ( -0.567 -12.289 2.055) 12.473 2.298 ( 0.129 -3.256 4.766) 5.774 2.647 ( 1.832 -0.952 1.007) 2.297 2.734 ( 3.002 3.973 1.755) 5.279 2.952 ( -0.158 0.883 -5.544) 5.616 3.240 ( 1.509 -2.533 0.197) 2.955 3.368 ( -1.756 -2.573 -0.115) 3.118 3.411 ( -0.606 5.788 -1.510) 6.012 3.510 ( 1.240 -0.661 -3.041) 3.350 3.576 ( 0.278 6.579 -3.056) 7.260 3.704 ( -6.482 5.867 -0.120) 8.744 4.153 ( 2.897 -5.706 -0.726) 6.440 4.255 ( -2.766 -5.334 0.266) 6.014 4.741 ( 0.794 3.818 -1.687) 4.249 4.910 ( 1.978 7.352 -0.415) 7.625 5.198 ( -2.830 0.664 3.444) 4.506 5.339 ( -1.471 1.126 -1.893) 2.649 5.571 ( 0.046 2.365 1.267) 2.683 5.655 ( 0.307 2.265 -0.440) 2.328 ======================= Grid point 403 (190/231) ======================= q-point: ( 0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 1.588 -7.426 1.908) 7.830 0.927 ( 1.431 -6.473 -1.659) 6.834 1.085 ( 4.178 -0.765 0.322) 4.260 1.156 ( 2.319 -9.188 2.056) 9.697 1.192 ( -2.759 -2.152 -0.771) 3.583 1.298 ( -5.047 2.207 -1.052) 5.608 1.409 ( -2.685 -0.626 1.044) 2.948 1.580 ( 0.865 -1.685 1.290) 2.292 1.653 ( 0.283 -2.605 -1.661) 3.102 1.821 ( 0.453 -8.483 0.296) 8.500 2.065 ( 0.588 -5.160 3.744) 6.402 2.280 ( -7.231 0.195 -4.217) 8.373 2.424 ( 2.705 -9.029 1.332) 9.519 2.633 ( 2.081 5.811 7.280) 9.544 2.702 ( 2.217 -0.447 2.575) 3.428 2.975 ( 2.110 -2.359 -6.925) 7.614 3.202 ( 1.131 4.790 0.064) 4.922 3.316 ( 3.963 4.552 -2.054) 6.375 3.389 ( -3.266 2.325 0.269) 4.018 3.433 ( -2.750 3.257 2.263) 4.826 3.554 ( -5.726 1.709 -0.453) 5.993 3.613 ( -1.995 -4.251 -4.805) 6.719 4.278 ( 1.741 -5.409 -0.309) 5.691 4.337 ( -1.242 -4.592 0.345) 4.770 4.651 ( 0.768 6.118 -0.785) 6.216 4.765 ( -0.303 8.186 -0.756) 8.227 5.168 ( -1.279 1.191 3.667) 4.062 5.331 ( -0.471 -0.675 -0.797) 1.146 5.525 ( -0.085 2.532 0.794) 2.656 5.611 ( -0.003 2.463 -1.126) 2.708 ======================= Grid point 404 (191/231) ======================= q-point: ( 0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -0.075 -4.914 -2.173) 5.374 1.067 ( 0.648 -4.915 3.200) 5.901 1.105 ( 1.189 -0.458 -0.862) 1.538 1.207 ( -1.963 -2.883 -1.056) 3.644 1.273 ( -1.691 -1.333 0.061) 2.154 1.320 ( 5.311 -4.500 4.786) 8.448 1.450 ( -2.414 -5.540 -1.897) 6.334 1.593 ( 0.355 -0.242 0.834) 0.938 1.676 ( -0.252 0.086 -0.751) 0.796 1.913 ( -3.368 2.438 -2.260) 4.732 2.002 ( -1.495 3.568 0.253) 3.877 2.314 ( -0.857 -1.507 -1.138) 2.074 2.516 ( 2.352 0.187 5.664) 6.136 2.573 ( -0.548 0.244 -0.073) 0.604 2.702 ( 1.275 0.993 4.824) 5.087 3.035 ( 2.605 -2.045 -6.430) 7.233 3.159 ( 0.713 5.364 0.166) 5.414 3.202 ( -0.595 -0.264 -1.386) 1.531 3.354 ( -1.338 -0.615 -0.551) 1.572 3.433 ( -0.687 -3.199 3.090) 4.500 3.557 ( -2.842 -2.504 -2.290) 4.426 3.658 ( -0.723 -1.725 -1.948) 2.701 4.365 ( 0.728 -3.307 0.130) 3.388 4.397 ( -0.351 -2.132 -0.044) 2.161 4.544 ( -0.021 5.195 -0.113) 5.196 4.630 ( -0.348 5.891 -0.707) 5.944 5.140 ( -0.279 1.671 4.100) 4.436 5.350 ( -0.080 -1.460 -0.199) 1.476 5.479 ( -0.141 2.376 0.420) 2.417 5.571 ( -0.010 1.700 -1.795) 2.472 ======================= Grid point 405 (192/231) ======================= q-point: (-0.31 -0.69 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 0.288 -0.999 -2.375) 2.593 1.083 ( -0.450 -2.486 0.516) 2.579 1.186 ( 0.914 -2.699 0.682) 2.930 1.261 ( 0.276 2.344 1.660) 2.886 1.281 ( 0.153 -4.546 -0.760) 4.611 1.383 ( 4.590 -0.284 3.262) 5.638 1.513 ( -5.553 1.380 -3.599) 6.760 1.618 ( 1.446 -1.780 1.042) 2.519 1.660 ( -1.653 -0.694 -0.363) 1.829 1.737 ( -3.340 4.277 -1.469) 5.622 2.046 ( -0.201 -3.419 1.661) 3.807 2.257 ( 4.816 5.299 4.389) 8.398 2.495 ( -1.215 8.104 0.486) 8.209 2.532 ( -0.887 -0.980 -0.834) 1.563 2.762 ( 0.521 -6.313 3.634) 7.303 3.036 ( 0.082 2.189 -0.091) 2.192 3.104 ( -0.076 -1.039 -6.261) 6.347 3.296 ( -0.740 -7.044 0.649) 7.112 3.385 ( 0.274 -2.039 -1.088) 2.327 3.503 ( 1.702 -0.034 1.164) 2.062 3.575 ( 0.000 -4.661 -2.005) 5.074 3.708 ( -0.480 -4.190 -0.509) 4.248 4.394 ( 0.147 1.341 0.293) 1.381 4.412 ( -0.071 0.238 -0.160) 0.295 4.483 ( -0.643 0.278 0.469) 0.843 4.546 ( 0.575 3.444 -1.059) 3.649 5.099 ( -0.382 2.603 4.251) 4.999 5.379 ( -0.001 -1.578 0.121) 1.582 5.439 ( 0.092 1.889 0.232) 1.905 5.553 ( 0.189 0.296 -2.165) 2.194 ======================= Grid point 406 (193/231) ======================= q-point: (-0.23 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 1.487 0.002 -1.139) 1.873 1.073 ( -1.372 10.200 -0.950) 10.335 1.156 ( -0.042 -4.731 0.441) 4.752 1.286 ( 1.250 -1.943 0.176) 2.317 1.336 ( -6.780 -1.719 1.199) 7.096 1.382 ( -0.811 -0.981 -1.542) 2.000 1.473 ( 4.014 -1.560 1.451) 4.544 1.635 ( -0.030 0.276 1.897) 1.917 1.660 ( -1.394 0.870 -0.710) 1.790 1.776 ( 0.222 -5.776 -1.292) 5.923 2.086 ( -0.621 -1.351 3.880) 4.155 2.243 ( 7.536 2.319 1.846) 8.098 2.331 ( 0.049 6.141 3.897) 7.273 2.550 ( -1.931 -1.885 -2.960) 4.005 2.868 ( -1.997 -4.905 1.926) 5.635 3.003 ( -0.970 1.304 0.745) 1.788 3.124 ( 0.736 0.361 -3.904) 3.989 3.343 ( -0.383 5.160 -3.078) 6.021 3.419 ( 0.046 -5.099 0.462) 5.120 3.526 ( -0.883 -4.589 -1.762) 4.994 3.745 ( 3.203 -10.629 0.285) 11.105 3.784 ( 0.908 -3.598 -0.526) 3.748 4.321 ( -2.758 5.234 0.309) 5.924 4.390 ( 0.720 2.181 0.297) 2.316 4.496 ( 0.784 0.698 -0.448) 1.141 4.526 ( 0.233 -2.431 -0.437) 2.481 5.052 ( -0.369 1.951 3.876) 4.356 5.404 ( -0.910 -0.665 0.093) 1.131 5.414 ( 1.037 0.435 0.256) 1.153 5.559 ( 0.175 -0.791 -2.049) 2.204 ======================= Grid point 407 (194/231) ======================= q-point: (-0.15 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -1.817 -0.163 -1.017) 2.089 1.034 ( 1.002 -1.290 -0.550) 1.724 1.235 ( -1.423 -2.892 1.109) 3.408 1.294 ( 0.906 1.334 -0.130) 1.618 1.340 ( -7.767 -3.947 0.465) 8.725 1.409 ( -0.677 -1.578 0.138) 1.723 1.543 ( 6.890 -1.524 1.597) 7.235 1.605 ( -0.935 4.090 0.071) 4.197 1.629 ( -0.362 0.966 0.870) 1.349 1.887 ( -1.086 -6.468 -2.627) 7.065 2.100 ( 0.163 -0.205 4.966) 4.973 2.173 ( 1.156 2.990 0.158) 3.210 2.356 ( 7.546 -1.819 7.099) 10.519 2.573 ( -3.517 -2.201 -4.187) 5.894 2.858 ( -3.618 4.449 4.106) 7.053 3.013 ( 4.224 1.496 -1.816) 4.835 3.083 ( -4.004 -0.164 -0.855) 4.098 3.248 ( 2.013 4.899 -6.746) 8.577 3.487 ( -1.249 -2.440 0.396) 2.769 3.631 ( -3.358 -7.688 -0.231) 8.393 3.828 ( -1.103 -1.124 -1.813) 2.402 3.967 ( 3.972 -8.913 0.186) 9.760 4.193 ( -4.946 4.694 0.646) 6.849 4.342 ( 3.224 4.153 0.500) 5.282 4.500 ( 0.377 -0.927 -1.062) 1.459 4.584 ( -0.501 -3.352 -0.181) 3.394 5.036 ( -0.037 -0.440 3.370) 3.399 5.392 ( -0.025 0.548 0.012) 0.549 5.437 ( -0.039 -1.620 0.293) 1.647 5.577 ( -0.227 -1.090 -1.697) 2.030 ======================= Grid point 408 (195/231) ======================= q-point: (-0.08 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.529 -3.483 -2.104) 4.103 1.075 ( -0.388 -3.232 -0.490) 3.292 1.187 ( -0.514 5.196 2.541) 5.807 1.290 ( -0.871 0.439 0.693) 1.197 1.377 ( -6.593 -3.609 -1.870) 7.745 1.438 ( -2.812 -1.637 0.913) 3.379 1.477 ( -1.432 7.145 -0.791) 7.330 1.561 ( 3.907 3.449 1.503) 5.424 1.642 ( 2.094 -2.168 1.613) 3.419 1.984 ( -0.819 -2.915 -4.030) 5.041 2.093 ( -1.857 -1.054 4.997) 5.435 2.210 ( 4.756 -4.270 0.696) 6.429 2.435 ( 5.623 -2.423 10.141) 11.846 2.580 ( -5.153 -0.613 -2.774) 5.884 2.729 ( -1.153 7.122 4.587) 8.549 2.953 ( 4.016 3.254 -3.325) 6.146 3.045 ( -1.987 6.225 -5.958) 8.842 3.243 ( -0.313 -4.077 -4.080) 5.776 3.503 ( -2.271 -0.909 0.680) 2.539 3.736 ( -4.365 -3.539 0.778) 5.673 3.813 ( -4.392 -0.763 -2.065) 4.913 3.964 ( -5.260 5.916 0.147) 7.918 4.228 ( 3.104 -3.554 0.438) 4.739 4.299 ( 4.396 -0.188 0.151) 4.402 4.527 ( -1.280 -2.056 -0.581) 2.491 4.635 ( -0.287 -2.306 -1.032) 2.543 5.066 ( 0.018 -2.633 3.002) 3.993 5.387 ( -0.162 -0.045 0.065) 0.180 5.469 ( -0.339 -1.877 0.461) 1.962 5.593 ( -0.732 -0.944 -1.384) 1.828 ======================= Grid point 414 (196/231) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -3.401 -0.000 2.731) 4.361 0.817 ( 5.161 0.000 0.424) 5.179 0.905 ( -4.459 -0.000 -6.890) 8.207 0.958 ( -1.787 -0.000 -0.548) 1.869 1.079 ( 5.255 0.000 -1.114) 5.372 1.085 ( 11.375 0.000 2.065) 11.561 1.343 ( 4.312 0.000 4.403) 6.163 1.484 ( -4.494 -0.000 -2.439) 5.114 1.623 ( -1.388 -0.000 -0.060) 1.389 1.662 ( -1.158 -0.000 3.403) 3.595 1.750 ( -5.822 -0.000 -4.485) 7.349 1.811 ( -6.887 -0.000 -0.053) 6.887 2.159 ( 11.420 0.000 20.908) 23.823 2.700 ( 2.293 0.000 0.964) 2.487 2.713 ( -3.411 -0.000 -0.522) 3.450 3.027 ( -0.616 -0.000 3.725) 3.776 3.123 ( -0.627 -0.000 -15.478) 15.491 3.124 ( 2.763 0.000 -0.116) 2.765 3.604 ( 2.928 0.000 -4.363) 5.254 3.629 ( 7.286 0.000 -0.125) 7.287 3.731 ( 1.619 0.000 -2.486) 2.967 3.767 ( -4.246 -0.000 -1.024) 4.368 4.069 ( -2.624 -0.000 0.645) 2.702 4.155 ( -0.674 -0.000 -0.688) 0.963 4.780 ( 0.021 0.000 -1.841) 1.841 5.045 ( 4.476 0.000 2.197) 4.986 5.206 ( -3.008 -0.000 1.950) 3.584 5.383 ( -3.031 -0.000 -3.349) 4.517 5.626 ( 0.457 0.000 1.361) 1.435 5.704 ( 0.499 0.000 0.177) 0.529 ======================= Grid point 415 (197/231) ======================= q-point: ( 0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 5.575 -2.884 5.507) 8.350 0.839 ( 0.228 0.425 -5.365) 5.386 0.908 ( -0.832 -2.561 -2.057) 3.389 1.009 ( -5.353 -5.589 -2.892) 8.262 1.118 ( 5.078 -0.854 0.525) 5.176 1.226 ( 6.595 -7.234 2.324) 10.061 1.428 ( 1.900 -5.448 4.426) 7.271 1.452 ( -2.470 -0.361 1.274) 2.802 1.567 ( -1.576 3.792 -3.335) 5.290 1.599 ( -2.605 1.986 -1.037) 3.436 1.761 ( -2.475 -6.646 1.310) 7.212 1.961 ( -2.829 -12.903 0.709) 13.228 2.258 ( 7.326 -2.855 16.371) 18.161 2.650 ( -0.936 1.224 -1.259) 1.990 2.761 ( 0.438 -1.808 0.991) 2.108 2.990 ( -1.381 2.909 -1.934) 3.756 3.178 ( 1.366 -3.743 0.061) 3.985 3.209 ( -0.406 -9.171 -7.962) 12.151 3.513 ( 1.253 7.112 -3.768) 8.145 3.635 ( -1.384 7.270 -0.106) 7.401 3.696 ( 2.476 4.047 -2.082) 5.181 3.747 ( 0.394 0.260 -0.805) 0.933 4.106 ( 0.495 -2.326 -0.039) 2.378 4.141 ( -2.743 -2.736 -0.280) 3.884 4.780 ( -0.051 0.454 -1.763) 1.821 5.038 ( 3.819 4.064 1.187) 5.702 5.186 ( -2.984 0.098 2.762) 4.067 5.353 ( -2.243 1.240 -2.923) 3.887 5.612 ( 0.464 1.754 1.110) 2.127 5.693 ( 0.518 1.433 -0.227) 1.541 ======================= Grid point 416 (198/231) ======================= q-point: ( 0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 5.716 -7.140 4.963) 10.406 0.842 ( -0.716 -2.734 -5.476) 6.163 1.000 ( 0.720 -7.218 0.729) 7.291 1.062 ( -3.818 -3.517 -4.797) 7.068 1.164 ( 4.292 -1.127 2.318) 5.006 1.303 ( -3.209 0.554 0.528) 3.299 1.408 ( -3.488 2.349 1.853) 4.596 1.529 ( 2.690 -4.884 2.795) 6.237 1.603 ( -0.459 -2.458 -2.402) 3.467 1.649 ( 1.398 -9.576 -1.421) 9.782 1.906 ( 0.370 -9.906 4.840) 11.031 2.207 ( -0.089 -13.383 1.548) 13.472 2.290 ( -1.034 1.424 2.740) 3.257 2.660 ( -0.397 -2.014 6.065) 6.403 2.760 ( 1.618 3.172 0.292) 3.573 2.951 ( 0.163 -0.367 -5.887) 5.901 3.256 ( 1.202 -2.968 0.958) 3.342 3.351 ( -1.239 4.254 -2.343) 5.012 3.402 ( -0.676 -5.584 -1.837) 5.917 3.536 ( 2.703 3.629 -1.349) 4.722 3.577 ( 0.177 8.630 -2.329) 8.940 3.637 ( -4.337 8.268 -1.156) 9.407 4.183 ( 1.367 -5.355 -0.805) 5.585 4.228 ( -1.258 -6.342 0.621) 6.495 4.746 ( 0.105 3.451 -1.427) 3.736 4.927 ( 0.887 8.754 -0.331) 8.805 5.172 ( -1.805 0.237 4.120) 4.504 5.327 ( -0.456 0.456 -2.076) 2.174 5.573 ( 0.368 2.553 0.782) 2.695 5.659 ( 0.323 2.438 -0.715) 2.561 ======================= Grid point 417 (199/231) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -0.417 -5.491 -0.822) 5.568 0.958 ( 3.148 -7.038 0.496) 7.726 1.099 ( -2.408 -4.059 -2.431) 5.308 1.177 ( 0.038 -8.263 0.125) 8.264 1.191 ( 3.294 2.406 3.375) 5.294 1.252 ( -1.894 -1.928 -1.526) 3.104 1.388 ( -0.637 -0.570 1.885) 2.070 1.585 ( 0.254 -1.047 0.705) 1.288 1.655 ( -0.495 -2.287 -1.265) 2.660 1.823 ( -0.072 -7.941 0.197) 7.944 2.092 ( 3.848 -2.636 6.314) 7.850 2.200 ( -6.138 -1.149 -4.734) 7.836 2.452 ( 1.902 -9.705 -0.816) 9.924 2.644 ( -0.439 5.307 6.015) 8.033 2.713 ( -0.669 0.103 4.856) 4.903 2.997 ( 1.963 -2.917 -8.258) 8.975 3.211 ( 0.242 4.416 -0.134) 4.425 3.332 ( -3.775 0.675 -0.310) 3.847 3.370 ( 2.499 9.493 -1.082) 9.876 3.438 ( 3.336 3.189 2.859) 5.429 3.501 ( -2.762 0.118 -0.520) 2.813 3.603 ( 0.219 -4.566 -5.202) 6.925 4.286 ( -0.539 -5.330 0.084) 5.358 4.332 ( 0.580 -4.657 -0.040) 4.693 4.655 ( 0.040 6.124 -0.796) 6.176 4.762 ( -0.145 8.532 -0.525) 8.550 5.156 ( -0.968 0.648 4.421) 4.572 5.330 ( 0.445 -0.720 -1.158) 1.435 5.526 ( 0.213 2.715 0.563) 2.781 5.613 ( 0.300 2.571 -1.367) 2.927 ======================= Grid point 418 (200/231) ======================= q-point: (-0.31 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -0.048 -5.388 -1.838) 5.693 1.071 ( 0.053 -2.222 1.835) 2.882 1.128 ( 2.433 -0.363 -0.995) 2.654 1.186 ( -1.668 -5.182 -0.580) 5.475 1.266 ( 0.573 -2.165 0.788) 2.374 1.386 ( 5.591 -4.280 4.465) 8.337 1.412 ( -3.735 -5.370 -3.469) 7.404 1.598 ( 0.372 -0.560 0.370) 0.768 1.669 ( -1.098 0.322 -0.239) 1.169 1.870 ( -3.525 7.320 0.739) 8.158 1.997 ( 0.472 0.324 1.687) 1.782 2.319 ( 1.617 -4.089 -1.824) 4.761 2.541 ( 0.921 3.505 4.832) 6.040 2.562 ( -0.700 -0.705 -1.721) 1.987 2.709 ( -0.212 -0.107 5.721) 5.726 3.050 ( 0.211 -2.013 -8.558) 8.794 3.142 ( -3.264 5.953 1.718) 7.003 3.200 ( 0.411 -0.400 -0.994) 1.148 3.368 ( 3.536 -0.217 -1.632) 3.900 3.444 ( 2.452 -3.527 2.318) 4.881 3.541 ( 0.329 -2.815 -0.993) 3.003 3.660 ( 1.175 -1.606 -2.306) 3.046 4.365 ( -0.829 -3.406 0.170) 3.509 4.398 ( 0.524 -2.064 -0.122) 2.133 4.542 ( -0.260 5.444 0.052) 5.450 4.632 ( 0.688 5.647 -0.912) 5.762 5.134 ( -1.040 1.468 4.598) 4.938 5.353 ( 0.558 -1.291 -0.369) 1.454 5.479 ( 0.238 2.400 0.355) 2.438 5.574 ( 0.568 1.741 -1.999) 2.711 ======================= Grid point 419 (201/231) ======================= q-point: (-0.23 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.226 -1.575 -2.540) 2.997 1.091 ( 1.874 -2.063 0.909) 2.932 1.198 ( 1.013 -2.836 0.318) 3.028 1.268 ( -0.232 -0.538 -0.032) 0.587 1.285 ( 1.070 -0.989 -0.214) 1.473 1.384 ( -5.096 3.505 -3.095) 6.916 1.488 ( 2.504 1.293 4.527) 5.333 1.590 ( -4.541 -2.776 -0.293) 5.330 1.659 ( 0.752 -0.845 0.789) 1.379 1.730 ( 1.355 2.071 1.704) 3.005 2.048 ( 0.647 -2.710 1.858) 3.349 2.336 ( 7.565 2.374 -1.107) 8.006 2.459 ( -3.974 6.482 1.727) 7.797 2.535 ( 0.620 1.410 0.704) 1.694 2.760 ( -0.906 -5.000 3.659) 6.262 3.027 ( -1.802 3.234 -0.110) 3.703 3.099 ( -0.453 -2.835 -6.752) 7.337 3.280 ( -1.620 -6.200 0.374) 6.419 3.401 ( 2.402 -1.367 -0.508) 2.810 3.526 ( 2.102 2.236 -0.744) 3.157 3.595 ( 3.529 -7.230 -1.691) 8.221 3.720 ( 2.585 -4.076 -0.032) 4.826 4.383 ( -2.012 2.275 0.159) 3.041 4.410 ( -0.326 0.022 0.064) 0.333 4.480 ( 0.217 0.310 0.526) 0.648 4.559 ( 1.762 3.123 -1.265) 3.802 5.090 ( -1.248 2.370 4.446) 5.191 5.379 ( -0.021 -1.228 0.136) 1.236 5.444 ( 0.666 1.746 0.145) 1.874 5.557 ( 0.712 0.428 -2.229) 2.379 ======================= Grid point 420 (202/231) ======================= q-point: (-0.15 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -2.482 4.738 -3.577) 6.434 1.063 ( 0.015 5.965 1.174) 6.080 1.159 ( 0.596 -3.080 0.293) 3.151 1.245 ( -6.027 -1.402 1.928) 6.481 1.310 ( 2.179 -1.098 0.266) 2.454 1.382 ( 0.258 -1.964 -1.581) 2.535 1.532 ( 4.721 -2.959 4.056) 6.892 1.628 ( -1.400 -1.064 0.216) 1.772 1.649 ( 0.076 1.484 1.228) 1.928 1.772 ( -0.631 -4.645 -1.508) 4.924 2.090 ( 1.057 -1.389 3.457) 3.872 2.279 ( -2.020 7.813 -0.407) 8.080 2.383 ( 8.391 -0.594 0.006) 8.412 2.532 ( -0.627 -0.365 1.459) 1.629 2.833 ( -3.870 -3.560 2.154) 5.683 2.987 ( -1.772 -0.455 0.446) 1.883 3.133 ( 0.893 0.576 -5.357) 5.462 3.342 ( 0.046 1.878 -0.142) 1.884 3.424 ( 1.099 -1.884 0.203) 2.191 3.510 ( -1.539 -2.733 -2.338) 3.912 3.764 ( 1.048 -6.333 -2.712) 6.969 3.834 ( 6.447 -7.047 1.204) 9.627 4.273 ( -5.099 6.335 0.372) 8.141 4.401 ( 0.829 1.255 0.465) 1.574 4.506 ( 0.564 -1.191 0.014) 1.318 4.532 ( 1.086 0.123 -0.945) 1.445 5.046 ( -0.713 1.516 3.904) 4.249 5.394 ( -0.739 -0.535 0.016) 0.912 5.425 ( 0.981 0.512 0.277) 1.141 5.562 ( 0.384 -0.479 -2.029) 2.120 ======================= Grid point 421 (203/231) ======================= q-point: (-0.08 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -2.239 -2.850 -1.274) 3.842 1.057 ( 2.385 0.415 0.008) 2.421 1.215 ( -2.151 -2.468 0.948) 3.408 1.260 ( -4.813 -3.256 0.581) 5.840 1.312 ( 1.330 1.633 0.803) 2.254 1.399 ( -1.260 -0.665 0.535) 1.522 1.583 ( -2.295 4.136 -0.525) 4.759 1.614 ( 5.234 -1.282 2.475) 5.930 1.633 ( 0.670 0.834 1.113) 1.544 1.864 ( -2.531 -6.298 -3.323) 7.557 2.108 ( 0.753 0.645 4.865) 4.965 2.184 ( 1.103 0.463 0.503) 1.297 2.445 ( 5.110 -1.275 -2.987) 6.055 2.530 ( -1.816 -0.141 5.017) 5.337 2.821 ( -3.058 2.612 2.374) 4.670 3.027 ( -2.269 -3.752 -1.619) 4.674 3.073 ( 2.860 5.889 -2.766) 7.107 3.270 ( 2.168 4.620 -3.320) 6.088 3.470 ( -1.692 -1.821 0.656) 2.571 3.587 ( -4.283 -6.908 -0.492) 8.142 3.810 ( -1.739 0.207 -2.203) 2.814 4.004 ( 1.099 -2.500 -0.102) 2.733 4.147 ( -1.949 0.069 0.808) 2.110 4.375 ( 2.446 2.567 0.641) 3.603 4.506 ( 0.680 0.334 -1.143) 1.372 4.575 ( -1.131 -3.374 -0.051) 3.559 5.036 ( -0.019 -0.642 3.303) 3.365 5.391 ( -0.157 0.335 -0.158) 0.402 5.437 ( -0.022 -1.218 0.459) 1.302 5.574 ( -0.331 -0.720 -1.690) 1.867 ======================= Grid point 428 (204/231) ======================= q-point: ( 0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 1.494 0.000 2.860) 3.227 0.849 ( -4.704 -0.000 -6.860) 8.318 0.865 ( 3.313 0.000 0.893) 3.431 0.933 ( -2.416 -0.000 -0.961) 2.600 1.126 ( 2.483 0.000 -1.204) 2.759 1.214 ( 10.124 0.000 2.157) 10.351 1.379 ( 1.399 0.000 4.666) 4.871 1.421 ( -5.855 -0.000 -0.365) 5.867 1.610 ( -0.798 -0.000 -0.121) 0.807 1.665 ( 1.659 0.000 -0.376) 1.701 1.684 ( -5.360 -0.000 -2.727) 6.014 1.753 ( -2.828 -0.000 0.319) 2.846 2.289 ( 10.151 0.000 21.969) 24.201 2.666 ( -4.902 -0.000 -1.683) 5.183 2.719 ( 0.898 0.000 0.720) 1.151 3.010 ( -2.449 -0.000 0.590) 2.519 3.116 ( 0.188 0.000 -13.280) 13.281 3.146 ( 1.163 0.000 -0.028) 1.163 3.646 ( 3.882 0.000 -4.016) 5.585 3.689 ( 2.806 0.000 -0.178) 2.811 3.690 ( -5.102 -0.000 0.182) 5.105 3.764 ( 0.896 0.000 -2.668) 2.815 4.046 ( -1.007 -0.000 0.716) 1.236 4.148 ( -0.540 -0.000 -0.660) 0.853 4.778 ( -0.338 -0.000 -1.282) 1.326 5.095 ( 4.240 0.000 3.021) 5.206 5.172 ( -3.123 -0.000 1.122) 3.318 5.352 ( -2.063 -0.000 -3.078) 3.706 5.632 ( 0.533 0.000 0.849) 1.003 5.710 ( 0.662 0.000 -0.430) 0.790 ======================= Grid point 429 (205/231) ======================= q-point: (-0.46 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 5.327 -5.676 3.288) 8.451 0.812 ( -3.568 0.476 -5.808) 6.832 0.925 ( 1.448 -1.831 -0.142) 2.338 0.949 ( -3.722 -5.160 -1.831) 6.620 1.151 ( 0.341 -1.713 0.079) 1.748 1.280 ( 2.235 -1.880 0.100) 2.922 1.428 ( -1.701 -4.617 4.587) 6.727 1.444 ( 1.166 -2.115 4.156) 4.807 1.542 ( -2.455 1.973 -3.271) 4.541 1.590 ( 1.008 0.937 -2.725) 3.053 1.750 ( 0.642 -6.980 1.088) 7.094 1.945 ( 0.106 -13.996 0.440) 14.004 2.334 ( 5.177 1.576 16.047) 16.935 2.622 ( -3.999 -0.322 -0.110) 4.014 2.769 ( 0.933 -2.685 0.002) 2.842 2.967 ( -2.389 2.273 -2.017) 3.865 3.186 ( 0.149 -3.562 0.278) 3.576 3.208 ( 0.522 -9.125 -8.388) 12.406 3.511 ( -1.862 9.253 -1.978) 9.643 3.629 ( 0.945 4.762 -0.332) 4.867 3.713 ( 0.697 4.771 -2.986) 5.672 3.748 ( -0.317 2.051 -0.302) 2.097 4.103 ( -1.656 -4.454 0.965) 4.849 4.130 ( 1.575 -1.421 -1.138) 2.407 4.777 ( -0.447 0.333 -1.220) 1.341 5.071 ( 1.240 5.519 -0.056) 5.657 5.159 ( -1.333 -0.619 4.339) 4.582 5.335 ( -0.618 0.642 -2.766) 2.906 5.618 ( 0.543 1.786 0.491) 1.930 5.699 ( 0.566 1.561 -0.690) 1.798 ======================= Grid point 430 (206/231) ======================= q-point: (-0.38 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 1.563 -3.417 1.649) 4.103 0.841 ( -0.285 -6.642 -4.523) 8.041 0.978 ( -4.395 -5.567 0.317) 7.099 1.042 ( 1.648 -5.420 -1.553) 5.874 1.188 ( -1.272 -2.683 -0.094) 2.971 1.296 ( 2.341 3.146 1.691) 4.270 1.388 ( 0.179 1.010 3.310) 3.465 1.542 ( -0.811 -4.958 2.450) 5.590 1.591 ( -1.377 -2.748 -3.362) 4.555 1.660 ( 0.681 -8.471 -1.683) 8.664 1.932 ( 3.750 -11.316 2.746) 12.233 2.207 ( -0.070 -10.574 2.008) 10.763 2.287 ( 0.595 1.943 2.854) 3.504 2.637 ( -3.804 -2.696 6.774) 8.224 2.769 ( -0.456 3.779 1.162) 3.980 2.953 ( 0.522 -2.197 -6.581) 6.957 3.264 ( -0.060 -4.263 0.649) 4.312 3.339 ( -0.451 7.996 -1.785) 8.205 3.399 ( 0.329 -9.014 -2.188) 9.282 3.525 ( -3.978 5.336 0.345) 6.665 3.592 ( 1.836 7.652 -3.361) 8.557 3.638 ( 4.609 8.600 -1.520) 9.874 4.166 ( -3.232 -6.059 0.758) 6.909 4.244 ( 2.914 -5.799 -0.839) 6.544 4.743 ( -0.496 3.237 -1.228) 3.498 4.927 ( -0.887 9.086 -0.467) 9.141 5.162 ( -0.079 0.313 5.116) 5.127 5.328 ( 0.712 0.063 -2.162) 2.278 5.579 ( 0.571 2.668 0.275) 2.742 5.663 ( 0.381 2.529 -1.009) 2.750 ======================= Grid point 431 (207/231) ======================= q-point: (-0.31 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.883 -5.260 -0.311) 5.342 0.974 ( -1.166 -7.126 -2.960) 7.804 1.065 ( -2.065 -5.621 1.192) 6.106 1.151 ( -3.256 -3.458 -0.571) 4.784 1.237 ( 3.465 -1.655 0.405) 3.861 1.259 ( 2.507 -2.601 0.253) 3.622 1.403 ( 2.941 -0.195 1.764) 3.435 1.590 ( 0.714 -1.086 1.076) 1.687 1.636 ( -2.578 -2.905 -1.174) 4.057 1.820 ( -0.314 -7.562 0.077) 7.569 2.122 ( -2.393 8.342 1.920) 8.888 2.173 ( 4.886 -10.751 2.129) 11.999 2.463 ( 0.089 -9.589 -1.951) 9.786 2.628 ( -2.594 3.888 4.909) 6.778 2.694 ( -2.479 0.217 5.620) 6.146 3.007 ( -0.284 -2.577 -9.061) 9.425 3.207 ( -0.617 6.020 -0.412) 6.065 3.291 ( -2.538 3.714 -0.196) 4.503 3.399 ( 2.588 1.853 -0.641) 3.247 3.462 ( 0.319 1.645 0.389) 1.720 3.531 ( 7.590 3.757 1.333) 8.573 3.614 ( 1.964 -4.443 -5.015) 6.982 4.269 ( -2.285 -6.109 0.504) 6.542 4.347 ( 1.884 -3.920 -0.547) 4.383 4.651 ( -0.644 6.039 -0.869) 6.135 4.761 ( -0.074 7.994 -0.480) 8.009 5.149 ( -0.476 0.959 5.085) 5.197 5.339 ( 1.181 -0.687 -1.286) 1.876 5.530 ( 0.506 2.862 0.356) 2.928 5.617 ( 0.576 2.483 -1.611) 3.016 ======================= Grid point 432 (208/231) ======================= q-point: (-0.23 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 0.362 -4.778 -1.867) 5.142 1.073 ( 0.542 -3.740 1.186) 3.960 1.153 ( 1.811 -0.580 -0.629) 2.003 1.170 ( -0.893 -6.638 -0.688) 6.733 1.283 ( 1.915 -1.400 1.341) 2.724 1.371 ( -3.059 -3.998 -4.605) 6.822 1.439 ( 3.111 -3.666 2.336) 5.346 1.602 ( 0.254 1.443 -0.267) 1.490 1.654 ( -1.017 -0.402 1.145) 1.583 1.846 ( -0.624 6.878 4.959) 8.502 2.010 ( 1.700 -0.558 1.515) 2.345 2.342 ( 2.206 -4.726 -0.823) 5.280 2.525 ( -2.874 3.576 1.283) 4.764 2.564 ( -0.180 -0.564 0.024) 0.592 2.707 ( -0.214 -1.589 6.596) 6.788 3.037 ( -1.854 -2.029 -9.743) 10.124 3.098 ( -4.104 4.763 1.296) 6.419 3.211 ( 1.445 0.789 -1.592) 2.290 3.417 ( 4.665 1.119 -2.087) 5.232 3.486 ( 4.704 -4.330 0.804) 6.444 3.567 ( 4.296 -1.940 0.657) 4.759 3.683 ( 3.067 -1.890 -2.123) 4.182 4.347 ( -2.334 -3.687 0.217) 4.369 4.408 ( 1.228 -1.268 -0.091) 1.768 4.539 ( -0.312 5.178 -0.146) 5.189 4.643 ( 1.243 5.136 -1.062) 5.390 5.120 ( -1.402 1.732 4.891) 5.374 5.361 ( 0.886 -0.905 -0.338) 1.311 5.485 ( 0.644 2.345 0.263) 2.446 5.582 ( 0.984 1.684 -2.110) 2.873 ======================= Grid point 433 (209/231) ======================= q-point: (-0.15 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.267 -2.641 -2.363) 3.554 1.125 ( 3.893 -0.578 0.915) 4.041 1.204 ( -1.186 -1.914 1.992) 3.006 1.230 ( -4.662 4.494 -3.651) 7.434 1.307 ( 1.865 -1.772 0.927) 2.734 1.343 ( -0.074 1.318 -3.667) 3.898 1.517 ( 0.077 1.416 5.567) 5.745 1.550 ( -0.983 -5.485 -0.987) 5.660 1.672 ( 1.760 -0.185 1.586) 2.376 1.754 ( 2.516 2.489 4.025) 5.359 2.063 ( 1.995 -2.396 1.914) 3.659 2.387 ( -0.629 2.004 -2.363) 3.161 2.416 ( -2.889 4.029 0.367) 4.971 2.558 ( 4.102 0.979 2.966) 5.156 2.749 ( -0.726 -2.920 3.469) 4.592 2.998 ( -3.110 2.768 0.003) 4.163 3.090 ( -0.671 -3.798 -7.127) 8.104 3.266 ( -0.903 -4.999 -1.221) 5.224 3.433 ( 2.958 -0.622 -0.736) 3.111 3.558 ( 3.879 4.185 -0.083) 5.707 3.644 ( 4.809 -7.225 -2.738) 9.101 3.764 ( 5.009 -4.697 0.567) 6.890 4.352 ( -3.279 3.920 0.213) 5.115 4.403 ( -1.152 -0.684 0.253) 1.364 4.487 ( 0.848 0.565 0.044) 1.020 4.583 ( 2.271 2.847 -1.153) 3.820 5.075 ( -1.603 2.081 4.514) 5.223 5.378 ( 0.019 -0.665 0.185) 0.691 5.453 ( 0.932 1.605 0.066) 1.857 5.567 ( 1.050 0.627 -2.199) 2.516 ======================= Grid point 434 (210/231) ======================= q-point: (-0.08 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -5.510 8.868 -1.635) 10.568 1.072 ( 1.108 -1.291 -0.209) 1.714 1.171 ( 1.565 -1.218 -0.113) 1.987 1.211 ( -0.526 1.026 2.040) 2.343 1.341 ( 3.230 -0.285 0.638) 3.305 1.381 ( -0.533 -1.486 -1.806) 2.399 1.561 ( -0.087 -4.002 2.869) 4.925 1.622 ( 0.907 -1.763 0.558) 2.059 1.662 ( 1.960 1.724 2.704) 3.758 1.762 ( -0.908 -2.542 -1.028) 2.889 2.109 ( 2.060 -1.193 3.340) 4.101 2.243 ( -3.611 5.969 0.905) 7.035 2.417 ( -3.386 -1.103 -4.848) 6.015 2.579 ( 8.345 1.246 5.587) 10.120 2.793 ( -2.651 -2.390 0.713) 3.640 2.970 ( -1.034 -1.031 1.101) 1.828 3.133 ( -0.964 -0.645 -6.362) 6.467 3.341 ( -0.397 -2.004 -0.199) 2.053 3.450 ( 3.380 1.942 1.149) 4.064 3.495 ( -0.740 0.297 -2.766) 2.879 3.777 ( 1.223 -3.795 -2.598) 4.759 3.912 ( 6.754 -7.500 0.508) 10.106 4.212 ( -5.414 7.160 0.587) 8.996 4.407 ( 0.140 0.316 0.295) 0.455 4.507 ( -0.278 -2.127 0.145) 2.150 4.549 ( 1.658 2.148 -0.978) 2.884 5.039 ( -0.767 0.924 3.924) 4.104 5.387 ( -0.440 -0.460 0.024) 0.637 5.435 ( 0.708 0.774 0.241) 1.076 5.567 ( 0.512 -0.012 -2.002) 2.067 ======================= Grid point 442 (211/231) ======================= q-point: (-0.46 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 4.432 0.000 0.437) 4.453 0.801 ( -3.093 -0.000 -3.481) 4.656 0.877 ( -2.635 -0.000 0.007) 2.635 0.917 ( 1.139 0.000 0.218) 1.160 1.127 ( -2.356 -0.000 -1.259) 2.672 1.259 ( -5.231 -0.000 -1.727) 5.509 1.371 ( -0.234 -0.000 3.439) 3.447 1.410 ( 3.975 0.000 2.152) 4.520 1.609 ( 0.701 0.000 -0.050) 0.703 1.624 ( -4.290 -0.000 1.425) 4.521 1.705 ( 4.628 0.000 -2.401) 5.214 1.751 ( 2.349 0.000 0.548) 2.412 2.396 ( 7.448 0.000 22.435) 23.639 2.599 ( -6.868 -0.000 -5.046) 8.522 2.720 ( -0.629 -0.000 0.572) 0.850 2.976 ( -3.132 -0.000 -1.625) 3.529 3.123 ( 1.592 0.000 -9.723) 9.852 3.149 ( -0.789 -0.000 -0.223) 0.819 3.612 ( -5.807 -0.000 -0.125) 5.808 3.686 ( -3.263 -0.000 0.087) 3.264 3.713 ( 4.971 0.000 -2.253) 5.458 3.767 ( 0.155 0.000 -3.265) 3.269 4.052 ( 1.824 0.000 0.304) 1.849 4.143 ( -0.195 -0.000 -0.318) 0.373 4.772 ( -0.550 -0.000 -0.808) 0.978 5.123 ( -2.937 -0.000 -1.877) 3.486 5.150 ( 2.446 0.000 6.248) 6.710 5.339 ( 0.073 0.000 -2.641) 2.642 5.638 ( 0.435 0.000 0.199) 0.478 5.718 ( 0.764 0.000 -0.994) 1.253 ======================= Grid point 443 (212/231) ======================= q-point: (-0.38 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 1.114 -5.696 -2.319) 6.250 0.774 ( -2.010 0.696 -1.486) 2.595 0.880 ( -4.294 -2.390 0.215) 4.919 0.977 ( 4.051 -4.326 0.553) 5.952 1.127 ( -3.974 -1.940 -0.516) 4.452 1.271 ( -3.545 -5.155 -1.783) 6.506 1.405 ( -2.118 -3.143 4.702) 6.039 1.471 ( 2.902 -0.176 3.292) 4.392 1.511 ( -3.128 0.374 -1.820) 3.638 1.621 ( 4.572 1.142 -2.166) 5.186 1.774 ( 3.337 -7.617 0.404) 8.326 1.964 ( 3.065 -13.618 0.298) 13.962 2.384 ( 3.009 4.967 14.351) 15.481 2.561 ( -6.535 -1.837 -1.141) 6.884 2.776 ( -0.128 -3.235 0.709) 3.314 2.941 ( -1.913 1.272 -1.684) 2.848 3.179 ( -1.493 -3.819 -0.446) 4.125 3.216 ( 1.223 -8.742 -6.765) 11.122 3.477 ( -3.438 7.150 0.056) 7.934 3.647 ( 1.303 7.997 -1.086) 8.174 3.710 ( -1.263 3.479 -3.164) 4.870 3.741 ( -0.143 -0.469 -0.670) 0.830 4.089 ( -0.435 0.289 1.177) 1.288 4.156 ( 2.667 -4.910 -1.434) 5.769 4.770 ( -0.706 0.350 -0.883) 1.183 5.054 ( -3.620 5.195 -1.298) 6.463 5.169 ( 2.342 -0.083 6.234) 6.660 5.338 ( 1.163 0.385 -2.472) 2.759 5.624 ( 0.508 1.702 -0.161) 1.783 5.705 ( 0.601 1.733 -1.130) 2.155 ======================= Grid point 444 (213/231) ======================= q-point: (-0.31 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.851 -3.055 1.670) 3.584 0.803 ( -5.730 -7.724 -7.896) 12.443 0.951 ( -0.269 -6.211 3.454) 7.112 1.059 ( 0.276 -2.954 -0.164) 2.971 1.165 ( -1.071 -4.163 -2.099) 4.784 1.331 ( 2.778 2.128 3.201) 4.742 1.411 ( 3.149 -1.345 3.397) 4.823 1.501 ( -5.603 -5.821 1.590) 8.235 1.589 ( 0.764 -3.345 -3.402) 4.832 1.666 ( 0.692 -6.013 -1.625) 6.267 1.980 ( 4.014 -11.097 -0.977) 11.841 2.210 ( 0.632 -7.355 3.149) 8.026 2.307 ( 2.703 0.631 4.818) 5.560 2.584 ( -5.636 -3.619 4.692) 8.178 2.749 ( -3.003 4.533 2.351) 5.925 2.954 ( -0.410 -2.545 -6.743) 7.219 3.254 ( -1.434 -4.359 -0.798) 4.657 3.344 ( 1.313 6.190 0.303) 6.335 3.407 ( 1.050 -7.624 -1.098) 7.774 3.484 ( -2.645 6.628 -0.159) 7.138 3.610 ( 1.631 4.812 -4.990) 7.121 3.708 ( 6.668 6.492 -0.654) 9.329 4.128 ( -3.071 -6.217 1.429) 7.080 4.278 ( 2.880 -5.218 -1.649) 6.184 4.734 ( -1.071 3.216 -1.151) 3.580 4.908 ( -2.352 8.063 -0.434) 8.410 5.172 ( 1.330 1.094 6.029) 6.271 5.341 ( 1.653 0.026 -2.070) 2.649 5.586 ( 0.706 2.676 -0.183) 2.773 5.667 ( 0.399 2.538 -1.315) 2.886 ======================= Grid point 445 (214/231) ======================= q-point: (-0.23 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 2.490 -4.743 -0.162) 5.359 0.936 ( -4.209 -9.482 -4.100) 11.154 1.054 ( -0.691 -5.034 1.881) 5.418 1.121 ( -1.723 -4.310 -0.302) 4.652 1.260 ( 1.286 -5.590 -3.938) 6.957 1.301 ( 3.769 1.891 4.234) 5.976 1.435 ( 1.956 0.386 0.135) 1.998 1.595 ( -1.833 -5.444 2.924) 6.445 1.619 ( 2.423 0.026 -1.987) 3.134 1.814 ( -0.864 -7.729 0.079) 7.778 2.090 ( -2.264 3.653 0.416) 4.318 2.252 ( 7.279 -5.250 5.932) 10.758 2.451 ( -2.068 -7.918 -0.925) 8.235 2.590 ( -4.124 2.241 3.589) 5.908 2.668 ( -2.139 -0.713 4.762) 5.268 2.981 ( -3.749 -1.789 -8.041) 9.051 3.204 ( 0.266 8.266 -2.142) 8.543 3.275 ( -0.611 2.673 -1.428) 3.091 3.431 ( 2.926 -1.615 -0.253) 3.352 3.477 ( 2.592 -0.610 0.837) 2.792 3.622 ( 6.398 4.021 -1.157) 7.644 3.651 ( 6.030 -2.842 -2.479) 7.112 4.238 ( -3.065 -6.358 0.811) 7.105 4.373 ( 2.702 -3.578 -1.067) 4.609 4.641 ( -1.157 5.760 -1.054) 5.969 4.758 ( -0.495 6.889 -0.465) 6.922 5.148 ( 0.079 1.874 5.624) 5.928 5.355 ( 1.601 -0.497 -1.180) 2.050 5.538 ( 0.726 2.920 0.182) 3.014 5.624 ( 0.714 2.252 -1.832) 2.990 ======================= Grid point 446 (215/231) ======================= q-point: (-0.15 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.525 -3.793 -2.423) 4.531 1.087 ( 1.788 -7.394 0.796) 7.649 1.163 ( 0.144 -4.738 3.698) 6.012 1.174 ( 1.662 -3.527 -4.071) 5.637 1.296 ( -0.681 1.445 0.567) 1.695 1.342 ( -1.410 -2.727 -3.597) 4.729 1.464 ( 2.044 -3.297 0.434) 3.903 1.588 ( -2.664 3.738 -1.427) 4.807 1.669 ( 3.303 -1.568 2.451) 4.401 1.855 ( 1.636 4.145 6.897) 8.212 2.036 ( 2.702 -0.998 1.823) 3.409 2.363 ( 1.279 -2.655 1.531) 3.321 2.480 ( -5.287 3.407 0.807) 6.341 2.554 ( -1.074 -2.373 0.754) 2.711 2.708 ( -0.076 -2.686 6.306) 6.855 3.008 ( -2.452 -4.147 -8.768) 10.005 3.056 ( -3.184 6.405 -2.323) 7.521 3.230 ( 1.966 1.255 -2.098) 3.138 3.465 ( 3.736 1.252 -2.078) 4.455 3.548 ( 6.039 -4.877 -0.562) 7.783 3.637 ( 7.716 -0.359 1.548) 7.878 3.726 ( 4.404 -2.148 -1.834) 5.232 4.312 ( -3.666 -4.026 0.302) 5.453 4.423 ( 1.203 0.679 -0.001) 1.382 4.536 ( 0.063 4.252 -0.675) 4.306 4.657 ( 1.059 4.192 -1.113) 4.464 5.107 ( -1.143 2.319 5.082) 5.702 5.372 ( 0.938 -0.396 -0.220) 1.042 5.493 ( 0.866 2.264 0.180) 2.431 5.594 ( 1.143 1.550 -2.133) 2.874 ======================= Grid point 447 (216/231) ======================= q-point: (-0.08 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.546 -2.868 -2.085) 3.588 1.135 ( -5.986 9.581 -0.820) 11.327 1.180 ( 4.460 0.153 1.558) 4.726 1.224 ( 1.010 -3.059 -0.889) 3.342 1.317 ( 0.210 -5.245 -0.710) 5.298 1.368 ( 3.402 0.518 -1.634) 3.809 1.497 ( -2.019 0.012 0.633) 2.116 1.561 ( 1.465 -4.265 1.325) 4.700 1.695 ( 1.621 0.278 1.071) 1.963 1.789 ( 3.389 3.943 6.732) 8.506 2.093 ( 3.068 -2.155 1.964) 4.233 2.339 ( -5.740 6.859 1.673) 9.099 2.380 ( -4.239 -0.247 -0.164) 4.250 2.609 ( 3.331 -2.330 1.204) 4.240 2.756 ( 2.106 -1.772 3.365) 4.347 2.958 ( -3.766 1.167 -0.276) 3.953 3.085 ( 0.330 -3.375 -7.390) 8.131 3.256 ( -0.857 -3.518 -3.133) 4.788 3.465 ( 2.677 0.366 -1.309) 3.002 3.616 ( 6.319 5.553 1.116) 8.486 3.699 ( 4.795 -5.552 -3.367) 8.072 3.829 ( 6.052 -5.665 0.664) 8.316 4.311 ( -3.850 5.083 0.288) 6.383 4.382 ( -2.505 -1.252 0.322) 2.819 4.499 ( 1.330 1.120 -0.477) 1.803 4.607 ( 2.012 2.676 -0.974) 3.487 5.059 ( -1.259 1.901 4.527) 5.069 5.379 ( 0.146 -0.188 0.224) 0.327 5.463 ( 0.805 1.627 0.025) 1.816 5.579 ( 1.131 0.831 -2.109) 2.533 ======================= Grid point 456 (217/231) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 0.591 0.000 -2.736) 2.799 0.797 ( 3.484 0.000 2.349) 4.202 0.824 ( -6.125 -0.000 -0.218) 6.128 0.941 ( 2.368 0.000 0.878) 2.525 1.078 ( -5.562 -0.000 -1.039) 5.658 1.155 ( -10.656 -0.000 -3.352) 11.171 1.363 ( -1.315 -0.000 1.168) 1.759 1.451 ( 0.123 0.000 0.065) 0.139 1.612 ( 3.506 0.000 7.358) 8.151 1.622 ( 1.447 0.000 0.012) 1.447 1.760 ( 4.790 0.000 -3.680) 6.040 1.803 ( 6.532 0.000 0.594) 6.559 2.468 ( 3.526 0.000 22.793) 23.064 2.508 ( -7.906 -0.000 -10.256) 12.950 2.706 ( -1.945 -0.000 0.480) 2.004 2.946 ( -1.766 -0.000 -0.455) 1.824 3.128 ( -2.721 -0.000 -0.526) 2.771 3.139 ( 1.064 0.000 -7.676) 7.750 3.551 ( -4.752 -0.000 1.088) 4.875 3.624 ( -7.242 -0.000 0.340) 7.250 3.733 ( -1.270 -0.000 -1.940) 2.319 3.797 ( 5.039 0.000 -4.576) 6.807 4.080 ( 2.754 0.000 -0.249) 2.765 4.144 ( 0.344 0.000 0.213) 0.405 4.765 ( -0.568 -0.000 -0.567) 0.803 5.070 ( -5.371 -0.000 -1.180) 5.499 5.191 ( 3.541 0.000 6.265) 7.196 5.350 ( 1.810 0.000 -2.160) 2.818 5.642 ( 0.285 0.000 -0.454) 0.536 5.727 ( 0.846 0.000 -1.528) 1.747 ======================= Grid point 457 (218/231) ======================= q-point: (-0.31 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -5.112 -3.004 -5.945) 8.397 0.751 ( -3.644 0.184 1.694) 4.023 0.872 ( 3.217 -2.986 3.034) 5.335 1.018 ( 2.376 -3.904 0.930) 4.664 1.072 ( -5.054 -3.334 -1.655) 6.277 1.213 ( -5.570 -10.659 -2.093) 12.208 1.390 ( -0.847 -2.142 2.727) 3.570 1.457 ( -5.308 -3.493 -0.049) 6.354 1.514 ( 3.604 5.413 3.573) 7.420 1.687 ( 6.670 1.918 -1.689) 7.142 1.818 ( 4.142 -8.447 -0.982) 9.459 2.010 ( 4.774 -12.001 0.407) 12.922 2.409 ( 0.506 6.030 7.414) 9.570 2.479 ( -7.139 -3.029 1.269) 7.858 2.762 ( -2.409 -2.445 2.114) 4.031 2.928 ( -0.247 0.364 -1.066) 1.153 3.154 ( -2.761 -4.489 -1.234) 5.412 3.226 ( 0.487 -8.845 -4.153) 9.783 3.441 ( -2.689 4.659 1.286) 5.531 3.641 ( -2.495 6.257 -1.215) 6.844 3.686 ( -2.039 0.810 -3.045) 3.753 3.756 ( 2.254 0.837 -2.065) 3.169 4.095 ( 1.292 3.020 1.151) 3.481 4.185 ( 2.288 -6.193 -1.832) 6.852 4.760 ( -0.858 0.576 -0.661) 1.227 5.003 ( -4.962 4.052 -0.880) 6.467 5.203 ( 3.083 0.823 6.776) 7.490 5.357 ( 2.200 0.423 -2.078) 3.055 5.630 ( 0.451 1.502 -0.733) 1.731 5.712 ( 0.598 1.962 -1.576) 2.586 ======================= Grid point 458 (219/231) ======================= q-point: (-0.23 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -7.051 -8.954 -7.076) 13.415 0.795 ( 1.669 -4.743 2.477) 5.605 0.959 ( 1.022 -4.734 2.431) 5.419 1.046 ( -1.626 -1.747 -1.263) 2.700 1.163 ( -0.613 -6.030 -2.640) 6.611 1.356 ( 1.413 0.575 2.783) 3.173 1.427 ( -3.033 -9.627 4.996) 11.262 1.468 ( 3.132 1.982 1.083) 3.862 1.580 ( -2.664 -9.755 -2.689) 10.464 1.691 ( 4.034 -0.039 -1.648) 4.358 2.012 ( 1.461 -8.365 -3.189) 9.071 2.223 ( 1.361 -7.293 2.826) 7.939 2.349 ( 4.282 0.150 6.895) 8.118 2.515 ( -6.330 -4.768 2.306) 8.253 2.707 ( -4.196 4.363 2.344) 6.491 2.938 ( -1.986 -0.878 -5.530) 5.941 3.237 ( -1.251 -4.572 -1.801) 5.070 3.364 ( 1.928 3.154 1.569) 4.016 3.422 ( 1.688 -6.781 1.319) 7.111 3.467 ( -0.442 6.957 -2.037) 7.262 3.627 ( 1.549 2.064 -6.015) 6.545 3.778 ( 5.348 3.068 -0.677) 6.202 4.104 ( -0.902 -4.920 1.800) 5.317 4.307 ( 2.282 -5.273 -2.547) 6.285 4.719 ( -1.612 3.385 -1.038) 3.890 4.877 ( -3.001 6.557 -0.219) 7.214 5.193 ( 1.924 2.041 6.723) 7.285 5.363 ( 2.149 0.192 -1.770) 2.791 5.595 ( 0.761 2.612 -0.506) 2.768 5.670 ( 0.294 2.482 -1.643) 2.991 ======================= Grid point 459 (220/231) ======================= q-point: (-0.15 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -3.273 -7.823 -4.791) 9.740 0.925 ( 3.676 -8.094 1.033) 8.949 1.047 ( -0.357 -5.543 0.461) 5.573 1.111 ( -0.173 -5.171 0.139) 5.175 1.260 ( -1.660 -4.876 -3.929) 6.478 1.336 ( 2.067 1.796 3.491) 4.437 1.455 ( 2.191 0.353 1.002) 2.435 1.570 ( -2.029 -4.301 0.255) 4.763 1.671 ( 5.438 -0.651 -0.236) 5.482 1.800 ( -1.721 -8.729 0.157) 8.898 2.075 ( -0.380 0.856 2.688) 2.847 2.322 ( 3.687 -3.642 4.927) 7.150 2.427 ( -1.185 -4.074 2.180) 4.771 2.538 ( -5.013 0.349 2.534) 5.628 2.650 ( -1.157 -1.894 3.168) 3.868 2.927 ( -5.045 -1.301 -6.952) 8.687 3.210 ( 0.813 10.096 -4.324) 11.013 3.274 ( 0.554 1.309 -2.052) 2.496 3.465 ( 3.028 -3.253 0.437) 4.466 3.519 ( 4.411 -2.355 0.459) 5.021 3.670 ( 3.655 -2.281 -3.863) 5.786 3.743 ( 8.288 2.319 0.236) 8.610 4.204 ( -2.762 -5.355 1.133) 6.131 4.407 ( 3.348 -3.740 -1.778) 5.325 4.625 ( -1.544 5.235 -1.306) 5.612 4.748 ( -1.290 5.738 -0.362) 5.893 5.154 ( 0.557 2.916 6.020) 6.712 5.374 ( 1.694 -0.143 -0.924) 1.935 5.546 ( 0.780 2.903 0.093) 3.007 5.632 ( 0.633 1.925 -2.014) 2.857 ======================= Grid point 460 (221/231) ======================= q-point: (-0.08 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 1.054 -3.969 -2.568) 4.843 1.106 ( 1.095 -8.888 -1.309) 9.051 1.173 ( 1.643 -6.175 3.189) 7.141 1.199 ( 3.016 -3.586 -1.399) 4.891 1.260 ( -4.435 4.183 -0.544) 6.121 1.344 ( 1.048 -2.773 -0.531) 3.011 1.495 ( 3.210 -2.725 -0.146) 4.213 1.554 ( -2.890 3.120 -1.481) 4.503 1.706 ( 2.601 -0.011 0.784) 2.716 1.881 ( 2.282 0.939 5.897) 6.393 2.073 ( 3.811 -1.119 3.167) 5.080 2.367 ( -1.450 0.020 3.745) 4.016 2.412 ( -5.692 3.991 2.535) 7.400 2.548 ( 0.080 -4.108 0.992) 4.227 2.701 ( -1.714 -4.031 5.860) 7.316 2.980 ( -2.150 -6.506 -6.076) 9.158 3.025 ( -1.984 8.221 -8.230) 11.800 3.255 ( 2.536 1.656 -2.126) 3.700 3.503 ( 3.020 1.139 -1.483) 3.552 3.619 ( 6.338 -4.985 -1.497) 8.202 3.733 ( 8.616 -0.554 1.365) 8.741 3.779 ( 4.844 -1.485 -1.557) 5.300 4.265 ( -4.634 -4.048 0.447) 6.170 4.430 ( -0.021 3.923 0.118) 3.925 4.544 ( 1.410 2.494 -1.419) 3.197 4.664 ( 0.110 2.893 -1.110) 3.100 5.099 ( -0.397 2.952 5.224) 6.014 5.382 ( 0.869 0.106 -0.124) 0.884 5.503 ( 0.759 2.237 0.167) 2.368 5.606 ( 1.026 1.363 -2.084) 2.693 ======================= Grid point 470 (222/231) ======================= q-point: (-0.31 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -3.494 -0.000 0.841) 3.594 0.743 ( -7.975 -0.000 0.689) 8.004 0.874 ( 8.727 0.000 3.749) 9.498 0.963 ( 0.201 0.000 0.084) 0.218 1.016 ( -3.885 -0.000 -0.141) 3.887 1.035 ( -9.773 -0.000 -4.765) 10.872 1.331 ( -5.185 -0.000 -1.142) 5.310 1.435 ( -0.281 -0.000 3.899) 3.909 1.639 ( 1.361 0.000 0.017) 1.361 1.689 ( 7.889 0.000 5.544) 9.642 1.806 ( 3.353 0.000 -3.865) 5.117 1.891 ( 8.429 0.000 0.562) 8.448 2.388 ( -10.298 -0.000 -13.142) 16.696 2.518 ( 2.376 0.000 21.087) 21.221 2.678 ( -2.768 -0.000 0.407) 2.798 2.941 ( 0.850 0.000 1.280) 1.537 3.088 ( -4.200 -0.000 -0.748) 4.266 3.130 ( -2.875 -0.000 -6.270) 6.898 3.507 ( -3.192 -0.000 2.302) 3.936 3.531 ( -8.664 -0.000 0.373) 8.672 3.713 ( -1.707 -0.000 -3.734) 4.106 3.849 ( 3.833 0.000 -4.670) 6.042 4.107 ( 1.922 0.000 -0.496) 1.985 4.152 ( 0.935 0.000 0.569) 1.094 4.760 ( -0.418 -0.000 -0.335) 0.536 5.006 ( -5.590 -0.000 -0.727) 5.637 5.232 ( 3.536 0.000 6.963) 7.809 5.375 ( 2.474 0.000 -1.749) 3.030 5.644 ( 0.071 0.000 -1.023) 1.025 5.737 ( 0.953 0.000 -2.087) 2.295 ======================= Grid point 471 (223/231) ======================= q-point: (-0.23 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -5.309 -0.496 -3.597) 6.432 0.701 ( -4.470 -3.417 3.556) 6.656 0.924 ( 4.193 -1.280 2.442) 5.018 1.003 ( -3.343 -2.809 -1.807) 4.726 1.025 ( -4.778 -6.010 -1.773) 7.880 1.179 ( 0.735 -12.385 0.245) 12.409 1.359 ( -6.369 -7.338 -1.105) 9.780 1.417 ( 0.233 1.851 5.122) 5.451 1.558 ( 3.779 5.353 2.457) 6.998 1.760 ( 5.743 2.702 -1.785) 6.593 1.863 ( 3.839 -8.624 -2.092) 9.670 2.068 ( 5.116 -9.662 0.551) 10.947 2.359 ( -8.037 -2.637 -13.169) 15.652 2.448 ( 0.423 3.525 17.663) 18.017 2.725 ( -3.884 -0.899 2.648) 4.786 2.932 ( 0.708 0.836 -0.508) 1.207 3.119 ( -3.110 -5.789 -1.790) 6.811 3.221 ( -1.392 -10.849 -1.072) 10.991 3.417 ( -1.840 2.222 1.850) 3.427 3.598 ( -4.436 -1.553 -0.593) 4.737 3.672 ( -0.303 2.956 -5.204) 5.993 3.780 ( 1.900 2.844 -2.637) 4.319 4.116 ( 2.227 3.385 0.928) 4.157 4.205 ( 1.150 -6.567 -2.118) 6.995 4.750 ( -0.914 1.072 -0.333) 1.447 4.946 ( -4.824 3.210 -0.386) 5.808 5.241 ( 3.178 1.378 7.399) 8.170 5.383 ( 2.427 0.517 -1.657) 2.984 5.633 ( 0.256 1.184 -1.183) 1.693 5.718 ( 0.584 2.302 -2.025) 3.121 ======================= Grid point 472 (224/231) ======================= q-point: (-0.15 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -5.106 -9.474 -5.357) 12.022 0.817 ( 2.116 -8.275 3.185) 9.116 0.963 ( -0.545 -2.825 -0.612) 2.941 1.041 ( 0.444 -1.983 -1.735) 2.672 1.130 ( -4.350 -7.554 -2.477) 9.062 1.365 ( 0.176 -1.439 0.133) 1.456 1.413 ( 0.867 -6.344 7.342) 9.742 1.516 ( 3.864 0.810 1.692) 4.295 1.534 ( -4.599 -12.900 -1.355) 13.762 1.746 ( 5.118 1.856 -1.710) 5.706 2.016 ( -0.296 -5.566 -1.899) 5.888 2.236 ( 0.705 -6.564 1.889) 6.866 2.390 ( 0.313 -3.095 -1.949) 3.670 2.455 ( -2.475 -3.607 8.612) 9.659 2.662 ( -3.423 3.138 1.507) 4.882 2.909 ( -2.692 1.494 -3.497) 4.659 3.230 ( 0.290 -5.457 -2.246) 5.909 3.384 ( 1.248 -0.653 2.159) 2.578 3.446 ( 2.224 -4.165 1.971) 5.117 3.467 ( 0.375 5.020 -3.010) 5.865 3.640 ( 0.878 -0.258 -6.572) 6.636 3.825 ( 3.051 -0.568 -1.004) 3.261 4.114 ( 2.658 -2.716 1.636) 4.137 4.326 ( 1.217 -6.195 -3.597) 7.266 4.698 ( -1.887 3.706 -0.717) 4.220 4.842 ( -3.037 5.332 0.056) 6.136 5.217 ( 2.026 2.887 7.153) 7.976 5.387 ( 2.144 0.401 -1.296) 2.538 5.603 ( 0.644 2.473 -0.652) 2.637 5.672 ( 0.052 2.432 -1.937) 3.109 ======================= Grid point 473 (225/231) ======================= q-point: (-0.08 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -2.702 -10.776 -3.724) 11.717 0.978 ( 4.421 -6.115 -0.921) 7.602 1.049 ( 0.862 -6.727 0.464) 6.798 1.114 ( 0.612 -6.228 0.472) 6.276 1.224 ( -3.632 -4.661 -2.223) 6.314 1.352 ( 0.596 1.535 1.792) 2.433 1.487 ( 2.820 -0.589 2.281) 3.675 1.554 ( -0.537 -1.675 -0.734) 1.906 1.724 ( 3.091 -2.808 -1.361) 4.392 1.779 ( -1.336 -7.732 0.696) 7.877 2.084 ( 1.807 -2.289 5.286) 6.037 2.323 ( -2.691 -3.209 2.745) 5.008 2.442 ( 2.675 -0.019 5.096) 5.756 2.480 ( -5.308 -1.990 1.313) 5.819 2.642 ( -0.430 -1.568 3.101) 3.501 2.870 ( -4.311 -1.586 -6.921) 8.307 3.217 ( 0.417 12.117 -5.833) 13.455 3.287 ( 1.779 -0.217 -2.067) 2.735 3.499 ( 2.884 -3.943 1.298) 5.055 3.570 ( 4.359 -4.088 -0.781) 6.026 3.709 ( 3.156 -4.376 -3.420) 6.388 3.823 ( 5.589 1.253 0.009) 5.727 4.182 ( -0.980 -2.539 1.407) 3.064 4.447 ( 3.571 -4.146 -2.689) 6.097 4.606 ( -1.746 4.441 -1.547) 5.016 4.729 ( -1.995 4.968 -0.127) 5.356 5.164 ( 0.880 3.717 6.193) 7.276 5.392 ( 1.489 0.266 -0.613) 1.633 5.555 ( 0.623 2.881 0.156) 2.951 5.637 ( 0.323 1.535 -2.123) 2.639 ======================= Grid point 484 (226/231) ======================= q-point: (-0.23 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -3.739 -0.000 6.212) 7.250 0.646 ( -8.900 -0.000 2.129) 9.151 0.922 ( -5.222 -0.000 -1.046) 5.326 0.937 ( -6.784 -0.000 -6.031) 9.077 0.977 ( 8.203 0.000 5.671) 9.972 1.019 ( 2.528 0.000 0.804) 2.653 1.253 ( -7.046 -0.000 0.661) 7.077 1.464 ( 4.809 0.000 3.227) 5.791 1.652 ( 0.963 0.000 0.023) 0.963 1.776 ( 7.041 0.000 2.439) 7.451 1.831 ( 1.108 0.000 -3.717) 3.878 1.988 ( 8.296 0.000 0.470) 8.309 2.270 ( -9.249 -0.000 -15.741) 18.257 2.543 ( 1.083 0.000 21.150) 21.178 2.645 ( -2.910 -0.000 0.385) 2.935 2.964 ( 2.834 0.000 1.120) 3.048 3.036 ( -4.839 -0.000 -0.848) 4.913 3.060 ( -9.353 -0.000 -4.245) 10.271 3.434 ( -8.288 -0.000 0.277) 8.293 3.481 ( -1.318 -0.000 3.517) 3.756 3.696 ( -1.166 -0.000 -6.406) 6.511 3.877 ( 1.288 0.000 -4.331) 4.518 4.124 ( 1.112 0.000 -0.233) 1.136 4.163 ( 0.915 0.000 0.419) 1.006 4.756 ( -0.254 -0.000 -0.015) 0.255 4.946 ( -4.819 -0.000 -0.173) 4.822 5.276 ( 3.700 0.000 7.727) 8.567 5.403 ( 2.313 0.000 -1.367) 2.687 5.643 ( -0.264 -0.000 -1.542) 1.564 5.747 ( 1.017 0.000 -2.674) 2.861 ======================= Grid point 485 (227/231) ======================= q-point: (-0.15 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -3.436 0.504 0.494) 3.508 0.662 ( -2.413 -7.295 5.324) 9.348 0.927 ( -3.213 -2.131 -3.179) 4.997 0.940 ( -7.590 -5.712 -2.912) 9.936 1.017 ( 3.752 -3.115 1.117) 5.003 1.211 ( 3.477 -11.004 2.987) 11.921 1.277 ( -6.746 -7.716 1.469) 10.354 1.441 ( 2.900 3.827 3.168) 5.753 1.599 ( 3.235 4.250 1.618) 5.581 1.806 ( 2.080 1.795 -3.040) 4.098 1.907 ( 3.934 -6.796 -1.364) 7.970 2.121 ( 3.729 -6.836 -0.500) 7.803 2.265 ( -6.996 -4.641 -12.437) 15.005 2.462 ( 1.003 2.861 15.220) 15.519 2.682 ( -3.412 0.389 1.602) 3.789 2.938 ( 0.255 2.266 0.050) 2.281 3.085 ( -2.681 -8.928 -1.958) 9.526 3.198 ( -2.288 -13.901 0.508) 14.097 3.398 ( -1.774 -0.925 1.534) 2.521 3.552 ( -3.294 -4.189 1.097) 5.441 3.674 ( 0.750 2.140 -7.839) 8.160 3.793 ( 0.317 3.494 -3.199) 4.747 4.143 ( 2.354 2.076 0.497) 3.178 4.209 ( -0.273 -6.244 -1.745) 6.489 4.740 ( -0.887 1.729 -0.005) 1.943 4.897 ( -3.723 2.639 0.132) 4.565 5.279 ( 3.202 1.967 7.871) 8.722 5.409 ( 2.054 0.543 -1.143) 2.412 5.634 ( -0.144 0.804 -1.598) 1.794 5.724 ( 0.482 2.752 -2.347) 3.649 ======================= Grid point 486 (228/231) ======================= q-point: (-0.08 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -1.740 -9.398 -2.358) 9.845 0.844 ( 2.374 -10.880 2.224) 11.356 0.954 ( -0.769 -3.282 -1.900) 3.870 1.001 ( -7.665 -5.453 -4.228) 10.313 1.121 ( 3.376 -4.992 0.398) 6.040 1.359 ( -1.348 -1.439 -1.707) 2.608 1.439 ( 2.935 -4.729 7.951) 9.706 1.472 ( -5.103 -15.196 0.437) 16.036 1.564 ( 3.714 1.829 0.956) 4.249 1.796 ( 3.370 1.174 -1.355) 3.817 2.011 ( -0.244 -4.403 0.941) 4.509 2.241 ( 0.178 -4.925 1.102) 5.050 2.338 ( -6.391 -7.110 -8.024) 12.481 2.470 ( 1.347 -0.397 9.733) 9.834 2.640 ( -0.049 1.066 2.517) 2.734 2.879 ( -2.224 3.519 -1.988) 4.613 3.244 ( 2.316 -6.026 -2.835) 7.050 3.391 ( -0.155 -5.714 2.434) 6.212 3.461 ( 0.050 9.671 -3.525) 10.294 3.482 ( 2.583 -7.757 1.664) 8.343 3.640 ( -0.578 -1.476 -6.098) 6.301 3.852 ( 1.950 -2.472 -1.744) 3.600 4.160 ( 4.941 -1.492 0.873) 5.234 4.330 ( -0.495 -8.144 -4.501) 9.318 4.678 ( -1.512 4.112 -0.290) 4.391 4.810 ( -2.503 4.717 0.281) 5.348 5.242 ( 1.947 3.665 7.207) 8.317 5.409 ( 1.675 0.561 -0.735) 1.914 5.608 ( 0.301 2.193 -0.667) 2.311 5.670 ( -0.267 2.485 -2.016) 3.211 ======================= Grid point 498 (229/231) ======================= q-point: (-0.15 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -1.993 -0.000 9.884) 10.083 0.548 ( -8.161 -0.000 3.820) 9.011 0.868 ( -4.042 -0.000 -1.168) 4.208 0.877 ( -3.457 -0.000 -5.686) 6.654 1.025 ( -2.227 -0.000 8.252) 8.547 1.051 ( 2.664 0.000 0.579) 2.726 1.220 ( 3.346 0.000 2.137) 3.970 1.535 ( 6.802 0.000 0.924) 6.865 1.660 ( 0.488 0.000 0.040) 0.490 1.822 ( -2.891 -0.000 -5.490) 6.205 1.855 ( 7.587 0.000 0.108) 7.588 2.074 ( 6.634 0.000 0.311) 6.642 2.183 ( -4.889 -0.000 -11.596) 12.584 2.561 ( 1.611 0.000 18.109) 18.181 2.615 ( -2.396 -0.000 0.537) 2.455 2.897 ( -16.475 -0.000 -4.035) 16.962 2.982 ( -4.289 -0.000 -0.982) 4.400 3.017 ( 3.842 0.000 1.262) 4.044 3.348 ( -6.538 -0.000 0.212) 6.542 3.480 ( 0.844 0.000 4.445) 4.525 3.675 ( -2.627 -0.000 -7.687) 8.124 3.880 ( -0.223 -0.000 -3.761) 3.767 4.135 ( 0.836 0.000 0.084) 0.840 4.171 ( 0.361 0.000 0.147) 0.389 4.752 ( -0.505 -0.000 0.065) 0.509 4.901 ( -2.820 -0.000 0.425) 2.852 5.320 ( 3.681 0.000 8.167) 8.958 5.425 ( 1.633 0.000 -0.818) 1.826 5.637 ( -0.607 -0.000 -2.076) 2.163 5.757 ( 0.756 0.000 -3.175) 3.264 ======================= Grid point 499 (230/231) ======================= q-point: (-0.08 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -0.733 -1.127 4.695) 4.883 0.651 ( 0.140 -9.904 5.921) 11.540 0.838 ( -8.784 -3.807 -2.374) 9.864 0.904 ( -1.481 -2.123 -5.979) 6.515 1.052 ( 1.422 -6.793 2.635) 7.423 1.211 ( -1.920 -8.548 3.778) 9.541 1.262 ( 2.852 -4.817 2.711) 6.220 1.475 ( 2.764 5.407 1.936) 6.374 1.631 ( 2.334 2.880 0.846) 3.802 1.804 ( -2.051 -0.597 -5.101) 5.530 1.950 ( 3.506 -3.356 0.317) 4.863 2.135 ( -1.863 -4.521 -6.477) 8.116 2.214 ( -0.874 -3.436 -3.173) 4.758 2.475 ( 0.388 1.227 11.281) 11.355 2.656 ( -1.045 0.799 0.098) 1.319 2.937 ( -0.470 2.572 0.625) 2.688 3.062 ( -0.949 -16.328 -2.802) 16.593 3.177 ( -1.114 -13.350 -0.275) 13.400 3.374 ( -2.473 -5.012 0.329) 5.599 3.530 ( -0.743 -2.748 3.150) 4.245 3.680 ( 0.524 -1.508 -8.357) 8.509 3.785 ( -1.486 4.188 -3.928) 5.931 4.168 ( 1.930 -0.125 -0.530) 2.006 4.200 ( -0.915 -4.880 -0.257) 4.972 4.730 ( -0.868 2.100 0.005) 2.273 4.865 ( -1.732 2.575 0.476) 3.140 5.316 ( 2.940 2.592 7.892) 8.812 5.428 ( 1.265 0.491 -0.489) 1.442 5.629 ( -0.540 0.483 -1.998) 2.125 5.727 ( 0.072 3.166 -2.322) 3.927 ======================= Grid point 512 (231/231) ======================= q-point: (-0.08 -0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -4.884 -0.000 5.155) 7.102 0.539 ( 0.932 0.000 11.458) 11.495 0.832 ( -2.090 -0.000 -1.343) 2.484 0.856 ( 0.004 0.000 -4.887) 4.887 0.959 ( -7.451 -0.000 7.836) 10.813 1.076 ( 1.681 0.000 0.411) 1.730 1.301 ( 8.316 0.000 5.077) 9.743 1.601 ( 4.108 0.000 -2.401) 4.758 1.664 ( 0.162 0.000 0.043) 0.167 1.764 ( -6.486 -0.000 -9.334) 11.366 1.957 ( 9.214 0.000 -0.284) 9.219 2.134 ( 3.795 0.000 0.074) 3.795 2.158 ( 1.128 0.000 -2.938) 3.147 2.586 ( -0.725 -0.000 14.775) 14.793 2.592 ( -1.557 -0.000 0.979) 1.839 2.695 ( -14.078 -0.000 -5.411) 15.082 2.943 ( -2.361 -0.000 -1.330) 2.710 3.062 ( 3.624 0.000 -0.610) 3.675 3.289 ( -3.723 -0.000 0.292) 3.734 3.500 ( 2.186 0.000 4.483) 4.987 3.629 ( -4.855 -0.000 -4.684) 6.746 3.877 ( -0.000 -0.000 -4.479) 4.479 4.143 ( 0.678 0.000 0.228) 0.715 4.172 ( -0.111 -0.000 -0.026) 0.114 4.744 ( -0.870 -0.000 -0.055) 0.872 4.884 ( -0.302 -0.000 0.472) 0.560 5.361 ( 2.909 0.000 8.013) 8.524 5.438 ( 0.737 0.000 -0.101) 0.743 5.629 ( -0.791 -0.000 -2.482) 2.605 5.761 ( -0.032 -0.000 -3.241) 3.241 =================== 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 3/25350 10.0 38.330 40.603 19.746 0.000 1.020 0.000 3/25350 20.0 9.172 14.497 5.510 0.000 0.668 0.000 3/25350 30.0 4.747 7.920 3.095 0.000 0.414 0.000 3/25350 40.0 3.144 5.302 2.159 0.000 0.294 0.000 3/25350 50.0 2.351 3.977 1.670 0.000 0.228 0.000 3/25350 60.0 1.884 3.193 1.369 0.000 0.186 0.000 3/25350 70.0 1.577 2.675 1.166 0.000 0.157 0.000 3/25350 80.0 1.359 2.308 1.017 0.000 0.137 0.000 3/25350 90.0 1.195 2.032 0.904 0.000 0.121 0.000 3/25350 100.0 1.068 1.818 0.814 0.000 0.108 0.000 3/25350 110.0 0.966 1.645 0.741 0.000 0.098 0.000 3/25350 120.0 0.882 1.503 0.680 0.000 0.090 0.000 3/25350 130.0 0.812 1.384 0.629 0.000 0.083 0.000 3/25350 140.0 0.752 1.283 0.584 0.000 0.077 0.000 3/25350 150.0 0.701 1.196 0.546 0.000 0.071 0.000 3/25350 160.0 0.656 1.120 0.513 0.000 0.067 0.000 3/25350 170.0 0.617 1.054 0.483 0.000 0.063 0.000 3/25350 180.0 0.582 0.995 0.457 0.000 0.059 0.000 3/25350 190.0 0.551 0.942 0.433 0.000 0.056 0.000 3/25350 200.0 0.523 0.894 0.412 0.000 0.053 0.000 3/25350 210.0 0.498 0.852 0.393 0.000 0.051 0.000 3/25350 220.0 0.475 0.813 0.375 0.000 0.048 0.000 3/25350 230.0 0.454 0.777 0.359 0.000 0.046 0.000 3/25350 240.0 0.435 0.745 0.344 0.000 0.044 0.000 3/25350 250.0 0.418 0.715 0.331 0.000 0.043 0.000 3/25350 260.0 0.402 0.687 0.318 0.000 0.041 0.000 3/25350 270.0 0.387 0.662 0.306 0.000 0.039 0.000 3/25350 280.0 0.373 0.638 0.296 0.000 0.038 0.000 3/25350 290.0 0.360 0.616 0.286 0.000 0.037 0.000 3/25350 300.0 0.348 0.596 0.276 0.000 0.035 0.000 3/25350 310.0 0.337 0.576 0.267 0.000 0.034 0.000 3/25350 320.0 0.326 0.558 0.259 0.000 0.033 0.000 3/25350 330.0 0.316 0.541 0.251 0.000 0.032 0.000 3/25350 340.0 0.307 0.526 0.244 0.000 0.031 0.000 3/25350 350.0 0.298 0.511 0.237 0.000 0.030 0.000 3/25350 360.0 0.290 0.496 0.231 0.000 0.030 0.000 3/25350 370.0 0.282 0.483 0.224 0.000 0.029 0.000 3/25350 380.0 0.275 0.470 0.219 0.000 0.028 0.000 3/25350 390.0 0.268 0.458 0.213 0.000 0.027 0.000 3/25350 400.0 0.261 0.447 0.208 0.000 0.027 0.000 3/25350 410.0 0.254 0.436 0.203 0.000 0.026 0.000 3/25350 420.0 0.248 0.426 0.198 0.000 0.025 0.000 3/25350 430.0 0.243 0.416 0.193 0.000 0.025 0.000 3/25350 440.0 0.237 0.406 0.189 0.000 0.024 0.000 3/25350 450.0 0.232 0.397 0.185 0.000 0.024 0.000 3/25350 460.0 0.227 0.389 0.181 0.000 0.023 0.000 3/25350 470.0 0.222 0.380 0.177 0.000 0.023 0.000 3/25350 480.0 0.217 0.372 0.173 0.000 0.022 0.000 3/25350 490.0 0.213 0.365 0.170 0.000 0.022 0.000 3/25350 500.0 0.209 0.358 0.167 0.000 0.021 0.000 3/25350 510.0 0.205 0.351 0.163 0.000 0.021 0.000 3/25350 520.0 0.201 0.344 0.160 0.000 0.020 0.000 3/25350 530.0 0.197 0.337 0.157 0.000 0.020 0.000 3/25350 540.0 0.193 0.331 0.154 0.000 0.020 0.000 3/25350 550.0 0.190 0.325 0.151 0.000 0.019 0.000 3/25350 560.0 0.186 0.319 0.149 0.000 0.019 0.000 3/25350 570.0 0.183 0.314 0.146 0.000 0.019 0.000 3/25350 580.0 0.180 0.308 0.144 0.000 0.018 0.000 3/25350 590.0 0.177 0.303 0.141 0.000 0.018 0.000 3/25350 600.0 0.174 0.298 0.139 0.000 0.018 0.000 3/25350 610.0 0.171 0.293 0.137 0.000 0.017 0.000 3/25350 620.0 0.168 0.288 0.134 0.000 0.017 0.000 3/25350 630.0 0.166 0.284 0.132 0.000 0.017 0.000 3/25350 640.0 0.163 0.279 0.130 0.000 0.017 0.000 3/25350 650.0 0.161 0.275 0.128 0.000 0.016 0.000 3/25350 660.0 0.158 0.271 0.126 0.000 0.016 0.000 3/25350 670.0 0.156 0.267 0.124 0.000 0.016 0.000 3/25350 680.0 0.153 0.263 0.123 0.000 0.016 0.000 3/25350 690.0 0.151 0.259 0.121 0.000 0.015 0.000 3/25350 700.0 0.149 0.256 0.119 0.000 0.015 0.000 3/25350 710.0 0.147 0.252 0.117 0.000 0.015 0.000 3/25350 720.0 0.145 0.248 0.116 0.000 0.015 0.000 3/25350 730.0 0.143 0.245 0.114 0.000 0.015 0.000 3/25350 740.0 0.141 0.242 0.113 0.000 0.014 0.000 3/25350 750.0 0.139 0.239 0.111 0.000 0.014 0.000 3/25350 760.0 0.137 0.235 0.110 0.000 0.014 0.000 3/25350 770.0 0.136 0.232 0.108 0.000 0.014 0.000 3/25350 780.0 0.134 0.229 0.107 0.000 0.014 0.000 3/25350 790.0 0.132 0.226 0.106 0.000 0.013 0.000 3/25350 800.0 0.130 0.224 0.104 0.000 0.013 0.000 3/25350 810.0 0.129 0.221 0.103 0.000 0.013 0.000 3/25350 820.0 0.127 0.218 0.102 0.000 0.013 0.000 3/25350 830.0 0.126 0.216 0.101 0.000 0.013 0.000 3/25350 840.0 0.124 0.213 0.099 0.000 0.013 0.000 3/25350 850.0 0.123 0.211 0.098 0.000 0.012 0.000 3/25350 860.0 0.121 0.208 0.097 0.000 0.012 0.000 3/25350 870.0 0.120 0.206 0.096 0.000 0.012 0.000 3/25350 880.0 0.119 0.203 0.095 0.000 0.012 0.000 3/25350 890.0 0.117 0.201 0.094 0.000 0.012 0.000 3/25350 900.0 0.116 0.199 0.093 0.000 0.012 0.000 3/25350 910.0 0.115 0.197 0.092 0.000 0.012 0.000 3/25350 920.0 0.113 0.195 0.091 0.000 0.012 0.000 3/25350 930.0 0.112 0.192 0.090 0.000 0.011 0.000 3/25350 940.0 0.111 0.190 0.089 0.000 0.011 0.000 3/25350 950.0 0.110 0.188 0.088 0.000 0.011 0.000 3/25350 960.0 0.109 0.186 0.087 0.000 0.011 0.000 3/25350 970.0 0.108 0.185 0.086 0.000 0.011 0.000 3/25350 980.0 0.107 0.183 0.085 0.000 0.011 0.000 3/25350 990.0 0.105 0.181 0.084 0.000 0.011 0.000 3/25350 1000.0 0.104 0.179 0.084 0.000 0.011 0.000 3/25350 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:12:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|