----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:03:19]------------------------- 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 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.612878664999999 -2.645061310000000 0.000000000000000 b 4.612878664999999 2.645061310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.780068099999999 Atomic positions (fractional): *1 Li 0.84022551834810 0.15977448165190 0.99923657980081 6.941 2 Li 0.15977448165190 0.84022551834810 0.49923657980080 6.941 *3 N 0.16248603336495 0.44312691717096 0.62425705305673 14.007 4 N 0.83751396663505 0.55687308282903 0.12425705305673 14.007 *5 N 0.22341629605368 0.77658370394632 0.06818494501322 14.007 6 N 0.77658370394632 0.22341629605368 0.56818494501322 14.007 7 N 0.55687308282904 0.83751396663505 0.62425705305673 14.007 8 N 0.44312691717096 0.16248603336495 0.12425705305673 14.007 *9 Si 0.17074333062443 0.49816492355788 0.98689217953627 28.085 10 Si 0.82925666937557 0.50183507644212 0.48689217953627 28.085 11 Si 0.49816492355788 0.17074333062443 0.48689217953627 28.085 12 Si 0.50183507644212 0.82925666937558 0.98689217953627 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.225757329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.290122620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.780068099999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.15977448165190 0.99923657980081 6.941 > 1 2 Li 0.00000000000000 0.84022551834810 0.49923657980080 6.941 > 2 3 Li 0.50000000000000 0.65977448165190 0.99923657980081 6.941 > 1 4 Li 0.50000000000000 0.34022551834810 0.49923657980080 6.941 > 2 *5 N 0.30280647526796 0.14032044190301 0.62425705305673 14.007 > 3 6 N 0.19719352473204 0.35967955809699 0.12425705305673 14.007 > 4 *7 N 0.00000000000000 0.77658370394632 0.06818494501322 14.007 > 5 8 N 0.00000000000000 0.22341629605368 0.56818494501322 14.007 > 6 9 N 0.19719352473204 0.64032044190301 0.62425705305673 14.007 > 7 10 N 0.30280647526796 0.85967955809699 0.12425705305673 14.007 > 8 11 N 0.80280647526796 0.64032044190301 0.62425705305673 14.007 > 3 12 N 0.69719352473204 0.85967955809699 0.12425705305673 14.007 > 4 13 N 0.50000000000000 0.27658370394632 0.06818494501322 14.007 > 5 14 N 0.50000000000000 0.72341629605368 0.56818494501322 14.007 > 6 15 N 0.69719352473204 0.14032044190301 0.62425705305673 14.007 > 7 16 N 0.80280647526796 0.35967955809699 0.12425705305673 14.007 > 8 *17 Si 0.33445412709115 0.16371079646673 0.98689217953627 28.085 > 9 18 Si 0.16554587290885 0.33628920353327 0.48689217953627 28.085 > 10 19 Si 0.33445412709115 0.83628920353327 0.48689217953627 28.085 > 11 20 Si 0.16554587290885 0.66371079646673 0.98689217953627 28.085 > 12 21 Si 0.83445412709115 0.66371079646673 0.98689217953627 28.085 > 9 22 Si 0.66554587290885 0.83628920353327 0.48689217953627 28.085 > 10 23 Si 0.83445412709115 0.33628920353327 0.48689217953627 28.085 > 11 24 Si 0.66554587290885 0.16371079646673 0.98689217953627 28.085 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.225757329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.580245240000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.560136199999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.07988724082595 0.49961828990040 6.941 > 1 2 Li 0.00000000000000 0.57988724082595 0.49961828990040 6.941 > 1 3 Li 0.00000000000000 0.07988724082595 0.99961828990040 6.941 > 1 4 Li 0.00000000000000 0.57988724082595 0.99961828990040 6.941 > 1 5 Li 0.00000000000000 0.42011275917405 0.24961828990040 6.941 > 2 6 Li 0.00000000000000 0.92011275917405 0.24961828990040 6.941 > 2 7 Li 0.00000000000000 0.42011275917405 0.74961828990040 6.941 > 2 8 Li 0.00000000000000 0.92011275917405 0.74961828990040 6.941 > 2 9 Li 0.50000000000000 0.32988724082595 0.49961828990040 6.941 > 1 10 Li 0.50000000000000 0.82988724082595 0.49961828990040 6.941 > 1 11 Li 0.50000000000000 0.32988724082595 0.99961828990040 6.941 > 1 12 Li 0.50000000000000 0.82988724082595 0.99961828990040 6.941 > 1 13 Li 0.50000000000000 0.17011275917405 0.24961828990040 6.941 > 2 14 Li 0.50000000000000 0.67011275917405 0.24961828990040 6.941 > 2 15 Li 0.50000000000000 0.17011275917405 0.74961828990040 6.941 > 2 16 Li 0.50000000000000 0.67011275917405 0.74961828990040 6.941 > 2 *17 N 0.30280647526796 0.07016022095150 0.31212852652836 14.007 > 3 18 N 0.30280647526796 0.57016022095150 0.31212852652836 14.007 > 3 19 N 0.30280647526796 0.07016022095150 0.81212852652836 14.007 > 3 20 N 0.30280647526796 0.57016022095150 0.81212852652836 14.007 > 3 21 N 0.19719352473204 0.17983977904850 0.06212852652836 14.007 > 4 22 N 0.19719352473204 0.67983977904850 0.06212852652836 14.007 > 4 23 N 0.19719352473204 0.17983977904850 0.56212852652836 14.007 > 4 24 N 0.19719352473204 0.67983977904850 0.56212852652836 14.007 > 4 *25 N 0.00000000000000 0.38829185197316 0.03409247250661 14.007 > 5 26 N 0.00000000000000 0.88829185197316 0.03409247250661 14.007 > 5 27 N 0.00000000000000 0.38829185197316 0.53409247250661 14.007 > 5 28 N 0.00000000000000 0.88829185197316 0.53409247250661 14.007 > 5 29 N 0.00000000000000 0.11170814802684 0.28409247250661 14.007 > 6 30 N 0.00000000000000 0.61170814802684 0.28409247250661 14.007 > 6 31 N 0.00000000000000 0.11170814802684 0.78409247250661 14.007 > 6 32 N 0.00000000000000 0.61170814802684 0.78409247250661 14.007 > 6 33 N 0.19719352473204 0.32016022095150 0.31212852652836 14.007 > 7 34 N 0.19719352473204 0.82016022095150 0.31212852652836 14.007 > 7 35 N 0.19719352473204 0.32016022095150 0.81212852652836 14.007 > 7 36 N 0.19719352473204 0.82016022095150 0.81212852652836 14.007 > 7 37 N 0.30280647526796 0.42983977904850 0.06212852652836 14.007 > 8 38 N 0.30280647526796 0.92983977904850 0.06212852652836 14.007 > 8 39 N 0.30280647526796 0.42983977904850 0.56212852652836 14.007 > 8 40 N 0.30280647526796 0.92983977904850 0.56212852652836 14.007 > 8 41 N 0.80280647526796 0.32016022095150 0.31212852652836 14.007 > 3 42 N 0.80280647526796 0.82016022095150 0.31212852652836 14.007 > 3 43 N 0.80280647526796 0.32016022095150 0.81212852652836 14.007 > 3 44 N 0.80280647526796 0.82016022095150 0.81212852652836 14.007 > 3 45 N 0.69719352473204 0.42983977904850 0.06212852652836 14.007 > 4 46 N 0.69719352473204 0.92983977904850 0.06212852652836 14.007 > 4 47 N 0.69719352473204 0.42983977904850 0.56212852652836 14.007 > 4 48 N 0.69719352473204 0.92983977904850 0.56212852652836 14.007 > 4 49 N 0.50000000000000 0.13829185197316 0.03409247250661 14.007 > 5 50 N 0.50000000000000 0.63829185197316 0.03409247250661 14.007 > 5 51 N 0.50000000000000 0.13829185197316 0.53409247250661 14.007 > 5 52 N 0.50000000000000 0.63829185197316 0.53409247250661 14.007 > 5 53 N 0.50000000000000 0.36170814802684 0.28409247250661 14.007 > 6 54 N 0.50000000000000 0.86170814802684 0.28409247250661 14.007 > 6 55 N 0.50000000000000 0.36170814802684 0.78409247250661 14.007 > 6 56 N 0.50000000000000 0.86170814802684 0.78409247250661 14.007 > 6 57 N 0.69719352473204 0.07016022095150 0.31212852652836 14.007 > 7 58 N 0.69719352473204 0.57016022095150 0.31212852652836 14.007 > 7 59 N 0.69719352473204 0.07016022095150 0.81212852652836 14.007 > 7 60 N 0.69719352473204 0.57016022095150 0.81212852652836 14.007 > 7 61 N 0.80280647526796 0.17983977904850 0.06212852652836 14.007 > 8 62 N 0.80280647526796 0.67983977904850 0.06212852652836 14.007 > 8 63 N 0.80280647526796 0.17983977904850 0.56212852652836 14.007 > 8 64 N 0.80280647526796 0.67983977904850 0.56212852652836 14.007 > 8 *65 Si 0.33445412709115 0.08185539823336 0.49344608976813 28.085 > 9 66 Si 0.33445412709115 0.58185539823336 0.49344608976813 28.085 > 9 67 Si 0.33445412709115 0.08185539823336 0.99344608976813 28.085 > 9 68 Si 0.33445412709115 0.58185539823336 0.99344608976813 28.085 > 9 69 Si 0.16554587290885 0.16814460176664 0.24344608976814 28.085 > 10 70 Si 0.16554587290885 0.66814460176664 0.24344608976814 28.085 > 10 71 Si 0.16554587290885 0.16814460176664 0.74344608976813 28.085 > 10 72 Si 0.16554587290885 0.66814460176664 0.74344608976813 28.085 > 10 73 Si 0.33445412709115 0.41814460176664 0.24344608976814 28.085 > 11 74 Si 0.33445412709115 0.91814460176664 0.24344608976814 28.085 > 11 75 Si 0.33445412709115 0.41814460176664 0.74344608976813 28.085 > 11 76 Si 0.33445412709115 0.91814460176664 0.74344608976813 28.085 > 11 77 Si 0.16554587290885 0.33185539823336 0.49344608976813 28.085 > 12 78 Si 0.16554587290885 0.83185539823336 0.49344608976813 28.085 > 12 79 Si 0.16554587290885 0.33185539823336 0.99344608976813 28.085 > 12 80 Si 0.16554587290885 0.83185539823336 0.99344608976813 28.085 > 12 81 Si 0.83445412709115 0.33185539823336 0.49344608976813 28.085 > 9 82 Si 0.83445412709115 0.83185539823336 0.49344608976813 28.085 > 9 83 Si 0.83445412709115 0.33185539823336 0.99344608976813 28.085 > 9 84 Si 0.83445412709115 0.83185539823336 0.99344608976813 28.085 > 9 85 Si 0.66554587290885 0.41814460176664 0.24344608976814 28.085 > 10 86 Si 0.66554587290885 0.91814460176664 0.24344608976814 28.085 > 10 87 Si 0.66554587290885 0.41814460176664 0.74344608976813 28.085 > 10 88 Si 0.66554587290885 0.91814460176664 0.74344608976813 28.085 > 10 89 Si 0.83445412709115 0.16814460176664 0.24344608976814 28.085 > 11 90 Si 0.83445412709115 0.66814460176664 0.24344608976814 28.085 > 11 91 Si 0.83445412709115 0.16814460176664 0.74344608976813 28.085 > 11 92 Si 0.83445412709115 0.66814460176664 0.74344608976813 28.085 > 11 93 Si 0.66554587290885 0.08185539823336 0.49344608976813 28.085 > 12 94 Si 0.66554587290885 0.58185539823336 0.49344608976813 28.085 > 12 95 Si 0.66554587290885 0.08185539823336 0.99344608976813 28.085 > 12 96 Si 0.66554587290885 0.58185539823336 0.99344608976813 28.085 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3996827 0.0000000 0.0000000 0.0000000 4.2077951 0.0000000 0.0000000 0.0000000 4.4013225 -------------------------- Born effective charges -------------------------- 1 Li 0.9700021 0.0000000 0.0000000 0.0000000 1.0274323 0.0080998 0.0000000 0.0258756 1.0579122 2 Li 0.9700021 0.0000000 0.0000000 0.0000000 1.0274323 -0.0080998 0.0000000 -0.0258756 1.0579122 3 N -2.1787216 0.4424555 -0.3513206 0.5765082 -2.5973247 -0.1153675 -0.2512927 -0.1881502 -2.8062561 4 N -2.1787216 0.4424555 0.3513206 0.5765082 -2.5973247 0.1153675 0.2512927 0.1881502 -2.8062561 5 N -3.4032558 0.0000000 0.0000000 0.0000000 -1.9370596 -0.1065184 0.0000000 -0.0281157 -1.9365362 6 N -3.4032558 0.0000000 0.0000000 0.0000000 -1.9370596 0.1065184 0.0000000 0.0281157 -1.9365362 7 N -2.1787216 -0.4424555 0.3513206 -0.5765082 -2.5973247 -0.1153675 0.2512927 -0.1881502 -2.8062561 8 N -2.1787216 -0.4424555 -0.3513206 -0.5765082 -2.5973247 0.1153675 -0.2512927 0.1881502 -2.8062561 9 Si 3.3953485 0.2058843 0.1176594 -0.2838129 3.0521384 0.0861801 -0.1357804 0.0237953 3.2455681 10 Si 3.3953485 0.2058843 -0.1176594 -0.2838129 3.0521384 -0.0861801 0.1357804 -0.0237953 3.2455681 11 Si 3.3953485 -0.2058843 0.1176594 0.2838129 3.0521384 -0.0861801 -0.1357804 -0.0237953 3.2455681 12 Si 3.3953485 -0.2058843 -0.1176594 0.2838129 3.0521384 0.0861801 0.1357804 0.0237953 3.2455681 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1348 Number of blocks in projector: 1348 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1348, 1320), data: False |-- (172, 168), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.445 Solver_block: 200 / 400 - Time: 1.461 Solver_block: 300 / 400 - Time: 1.461 Solver_block: 400 / 400 - Time: 1.467 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.924 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1348 Number of blocks in projector: 1348 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1348, 1320), data: False |-- (172, 168), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:03:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:03:40]------------------------- 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 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.612878664999999 -2.645061310000000 0.000000000000000 b 4.612878664999999 2.645061310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.780068099999999 Atomic positions (fractional): 1 Li 0.84022551834810 0.15977448165190 0.99923657980081 6.941 2 Li 0.15977448165190 0.84022551834810 0.49923657980080 6.941 3 N 0.16248603336495 0.44312691717096 0.62425705305673 14.007 4 N 0.83751396663505 0.55687308282903 0.12425705305673 14.007 5 N 0.22341629605368 0.77658370394632 0.06818494501322 14.007 6 N 0.77658370394632 0.22341629605368 0.56818494501322 14.007 7 N 0.55687308282904 0.83751396663505 0.62425705305673 14.007 8 N 0.44312691717096 0.16248603336495 0.12425705305673 14.007 9 Si 0.17074333062443 0.49816492355788 0.98689217953627 28.085 10 Si 0.82925666937557 0.50183507644212 0.48689217953627 28.085 11 Si 0.49816492355788 0.17074333062443 0.48689217953627 28.085 12 Si 0.50183507644212 0.82925666937558 0.98689217953627 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.225757329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.580245240000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.560136199999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.07988724082595 0.49961828990040 6.941 > 1 2 Li 0.00000000000000 0.57988724082595 0.49961828990040 6.941 > 1 3 Li 0.00000000000000 0.07988724082595 0.99961828990040 6.941 > 1 4 Li 0.00000000000000 0.57988724082595 0.99961828990040 6.941 > 1 5 Li 0.00000000000000 0.42011275917405 0.24961828990040 6.941 > 5 6 Li 0.00000000000000 0.92011275917405 0.24961828990040 6.941 > 5 7 Li 0.00000000000000 0.42011275917405 0.74961828990040 6.941 > 5 8 Li 0.00000000000000 0.92011275917405 0.74961828990040 6.941 > 5 9 Li 0.50000000000000 0.32988724082595 0.49961828990040 6.941 > 1 10 Li 0.50000000000000 0.82988724082595 0.49961828990040 6.941 > 1 11 Li 0.50000000000000 0.32988724082595 0.99961828990040 6.941 > 1 12 Li 0.50000000000000 0.82988724082595 0.99961828990040 6.941 > 1 13 Li 0.50000000000000 0.17011275917405 0.24961828990040 6.941 > 5 14 Li 0.50000000000000 0.67011275917405 0.24961828990040 6.941 > 5 15 Li 0.50000000000000 0.17011275917405 0.74961828990040 6.941 > 5 16 Li 0.50000000000000 0.67011275917405 0.74961828990040 6.941 > 5 17 N 0.30280647526796 0.07016022095150 0.31212852652836 14.007 > 17 18 N 0.30280647526796 0.57016022095150 0.31212852652836 14.007 > 17 19 N 0.30280647526796 0.07016022095150 0.81212852652836 14.007 > 17 20 N 0.30280647526796 0.57016022095150 0.81212852652836 14.007 > 17 21 N 0.19719352473204 0.17983977904850 0.06212852652836 14.007 > 21 22 N 0.19719352473204 0.67983977904850 0.06212852652836 14.007 > 21 23 N 0.19719352473204 0.17983977904850 0.56212852652836 14.007 > 21 24 N 0.19719352473204 0.67983977904850 0.56212852652836 14.007 > 21 25 N 0.00000000000000 0.38829185197316 0.03409247250661 14.007 > 25 26 N 0.00000000000000 0.88829185197316 0.03409247250661 14.007 > 25 27 N 0.00000000000000 0.38829185197316 0.53409247250661 14.007 > 25 28 N 0.00000000000000 0.88829185197316 0.53409247250661 14.007 > 25 29 N 0.00000000000000 0.11170814802684 0.28409247250661 14.007 > 29 30 N 0.00000000000000 0.61170814802684 0.28409247250661 14.007 > 29 31 N 0.00000000000000 0.11170814802684 0.78409247250661 14.007 > 29 32 N 0.00000000000000 0.61170814802684 0.78409247250661 14.007 > 29 33 N 0.19719352473204 0.32016022095150 0.31212852652836 14.007 > 33 34 N 0.19719352473204 0.82016022095150 0.31212852652836 14.007 > 33 35 N 0.19719352473204 0.32016022095150 0.81212852652836 14.007 > 33 36 N 0.19719352473204 0.82016022095150 0.81212852652836 14.007 > 33 37 N 0.30280647526796 0.42983977904850 0.06212852652836 14.007 > 37 38 N 0.30280647526796 0.92983977904850 0.06212852652836 14.007 > 37 39 N 0.30280647526796 0.42983977904850 0.56212852652836 14.007 > 37 40 N 0.30280647526796 0.92983977904850 0.56212852652836 14.007 > 37 41 N 0.80280647526796 0.32016022095150 0.31212852652836 14.007 > 17 42 N 0.80280647526796 0.82016022095150 0.31212852652836 14.007 > 17 43 N 0.80280647526796 0.32016022095150 0.81212852652836 14.007 > 17 44 N 0.80280647526796 0.82016022095150 0.81212852652836 14.007 > 17 45 N 0.69719352473204 0.42983977904850 0.06212852652836 14.007 > 21 46 N 0.69719352473204 0.92983977904850 0.06212852652836 14.007 > 21 47 N 0.69719352473204 0.42983977904850 0.56212852652836 14.007 > 21 48 N 0.69719352473204 0.92983977904850 0.56212852652836 14.007 > 21 49 N 0.50000000000000 0.13829185197316 0.03409247250661 14.007 > 25 50 N 0.50000000000000 0.63829185197316 0.03409247250661 14.007 > 25 51 N 0.50000000000000 0.13829185197316 0.53409247250661 14.007 > 25 52 N 0.50000000000000 0.63829185197316 0.53409247250661 14.007 > 25 53 N 0.50000000000000 0.36170814802684 0.28409247250661 14.007 > 29 54 N 0.50000000000000 0.86170814802684 0.28409247250661 14.007 > 29 55 N 0.50000000000000 0.36170814802684 0.78409247250661 14.007 > 29 56 N 0.50000000000000 0.86170814802684 0.78409247250661 14.007 > 29 57 N 0.69719352473204 0.07016022095150 0.31212852652836 14.007 > 33 58 N 0.69719352473204 0.57016022095150 0.31212852652836 14.007 > 33 59 N 0.69719352473204 0.07016022095150 0.81212852652836 14.007 > 33 60 N 0.69719352473204 0.57016022095150 0.81212852652836 14.007 > 33 61 N 0.80280647526796 0.17983977904850 0.06212852652836 14.007 > 37 62 N 0.80280647526796 0.67983977904850 0.06212852652836 14.007 > 37 63 N 0.80280647526796 0.17983977904850 0.56212852652836 14.007 > 37 64 N 0.80280647526796 0.67983977904850 0.56212852652836 14.007 > 37 65 Si 0.33445412709115 0.08185539823336 0.49344608976813 28.085 > 65 66 Si 0.33445412709115 0.58185539823336 0.49344608976813 28.085 > 65 67 Si 0.33445412709115 0.08185539823336 0.99344608976813 28.085 > 65 68 Si 0.33445412709115 0.58185539823336 0.99344608976813 28.085 > 65 69 Si 0.16554587290885 0.16814460176664 0.24344608976814 28.085 > 69 70 Si 0.16554587290885 0.66814460176664 0.24344608976814 28.085 > 69 71 Si 0.16554587290885 0.16814460176664 0.74344608976813 28.085 > 69 72 Si 0.16554587290885 0.66814460176664 0.74344608976813 28.085 > 69 73 Si 0.33445412709115 0.41814460176664 0.24344608976814 28.085 > 73 74 Si 0.33445412709115 0.91814460176664 0.24344608976814 28.085 > 73 75 Si 0.33445412709115 0.41814460176664 0.74344608976813 28.085 > 73 76 Si 0.33445412709115 0.91814460176664 0.74344608976813 28.085 > 73 77 Si 0.16554587290885 0.33185539823336 0.49344608976813 28.085 > 77 78 Si 0.16554587290885 0.83185539823336 0.49344608976813 28.085 > 77 79 Si 0.16554587290885 0.33185539823336 0.99344608976813 28.085 > 77 80 Si 0.16554587290885 0.83185539823336 0.99344608976813 28.085 > 77 81 Si 0.83445412709115 0.33185539823336 0.49344608976813 28.085 > 65 82 Si 0.83445412709115 0.83185539823336 0.49344608976813 28.085 > 65 83 Si 0.83445412709115 0.33185539823336 0.99344608976813 28.085 > 65 84 Si 0.83445412709115 0.83185539823336 0.99344608976813 28.085 > 65 85 Si 0.66554587290885 0.41814460176664 0.24344608976814 28.085 > 69 86 Si 0.66554587290885 0.91814460176664 0.24344608976814 28.085 > 69 87 Si 0.66554587290885 0.41814460176664 0.74344608976813 28.085 > 69 88 Si 0.66554587290885 0.91814460176664 0.74344608976813 28.085 > 69 89 Si 0.83445412709115 0.16814460176664 0.24344608976814 28.085 > 73 90 Si 0.83445412709115 0.66814460176664 0.24344608976814 28.085 > 73 91 Si 0.83445412709115 0.16814460176664 0.74344608976813 28.085 > 73 92 Si 0.83445412709115 0.66814460176664 0.74344608976813 28.085 > 73 93 Si 0.66554587290885 0.08185539823336 0.49344608976813 28.085 > 77 94 Si 0.66554587290885 0.58185539823336 0.49344608976813 28.085 > 77 95 Si 0.66554587290885 0.08185539823336 0.99344608976813 28.085 > 77 96 Si 0.66554587290885 0.58185539823336 0.99344608976813 28.085 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3996827 0.0000000 0.0000000 0.0000000 4.2077951 0.0000000 0.0000000 0.0000000 4.4013225 -------------------------- Born effective charges -------------------------- 1 Li 0.9700021 0.0000000 0.0000000 0.0000000 1.0274323 0.0080998 0.0000000 0.0258756 1.0579122 2 Li 0.9700021 0.0000000 0.0000000 0.0000000 1.0274323 -0.0080998 0.0000000 -0.0258756 1.0579122 3 N -2.1787216 0.4424555 -0.3513206 0.5765082 -2.5973247 -0.1153675 -0.2512927 -0.1881502 -2.8062561 4 N -2.1787216 0.4424555 0.3513206 0.5765082 -2.5973247 0.1153675 0.2512927 0.1881502 -2.8062561 5 N -3.4032558 0.0000000 0.0000000 0.0000000 -1.9370596 -0.1065184 0.0000000 -0.0281157 -1.9365362 6 N -3.4032558 0.0000000 0.0000000 0.0000000 -1.9370596 0.1065184 0.0000000 0.0281157 -1.9365362 7 N -2.1787216 -0.4424555 0.3513206 -0.5765082 -2.5973247 -0.1153675 0.2512927 -0.1881502 -2.8062561 8 N -2.1787216 -0.4424555 -0.3513206 -0.5765082 -2.5973247 0.1153675 -0.2512927 0.1881502 -2.8062561 9 Si 3.3953485 0.2058843 0.1176594 -0.2838129 3.0521384 0.0861801 -0.1357804 0.0237953 3.2455681 10 Si 3.3953485 0.2058843 -0.1176594 -0.2838129 3.0521384 -0.0861801 0.1357804 -0.0237953 3.2455681 11 Si 3.3953485 -0.2058843 0.1176594 0.2838129 3.0521384 -0.0861801 -0.1357804 -0.0237953 3.2455681 12 Si 3.3953485 -0.2058843 -0.1176594 0.2838129 3.0521384 0.0861801 0.1357804 0.0237953 3.2455681 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (xyx) -0.00000005 (xyx) -0.00000005 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yz) 0.00000002 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:03:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:03:53]------------------------- 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 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.612878664999999 -2.645061310000000 0.000000000000000 b 4.612878664999999 2.645061310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.780068099999999 Atomic positions (fractional): 1 Li 0.84022551834810 0.15977448165190 0.99923657980081 6.941 2 Li 0.15977448165190 0.84022551834810 0.49923657980080 6.941 3 N 0.16248603336495 0.44312691717096 0.62425705305673 14.007 4 N 0.83751396663505 0.55687308282903 0.12425705305673 14.007 5 N 0.22341629605368 0.77658370394632 0.06818494501322 14.007 6 N 0.77658370394632 0.22341629605368 0.56818494501322 14.007 7 N 0.55687308282904 0.83751396663505 0.62425705305673 14.007 8 N 0.44312691717096 0.16248603336495 0.12425705305673 14.007 9 Si 0.17074333062443 0.49816492355788 0.98689217953627 28.085 10 Si 0.82925666937557 0.50183507644212 0.48689217953627 28.085 11 Si 0.49816492355788 0.17074333062443 0.48689217953627 28.085 12 Si 0.50183507644212 0.82925666937558 0.98689217953627 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.225757329999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.580245240000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.560136199999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.07988724082595 0.49961828990040 6.941 > 1 2 Li 0.00000000000000 0.57988724082595 0.49961828990040 6.941 > 1 3 Li 0.00000000000000 0.07988724082595 0.99961828990040 6.941 > 1 4 Li 0.00000000000000 0.57988724082595 0.99961828990040 6.941 > 1 5 Li 0.00000000000000 0.42011275917405 0.24961828990040 6.941 > 5 6 Li 0.00000000000000 0.92011275917405 0.24961828990040 6.941 > 5 7 Li 0.00000000000000 0.42011275917405 0.74961828990040 6.941 > 5 8 Li 0.00000000000000 0.92011275917405 0.74961828990040 6.941 > 5 9 Li 0.50000000000000 0.32988724082595 0.49961828990040 6.941 > 1 10 Li 0.50000000000000 0.82988724082595 0.49961828990040 6.941 > 1 11 Li 0.50000000000000 0.32988724082595 0.99961828990040 6.941 > 1 12 Li 0.50000000000000 0.82988724082595 0.99961828990040 6.941 > 1 13 Li 0.50000000000000 0.17011275917405 0.24961828990040 6.941 > 5 14 Li 0.50000000000000 0.67011275917405 0.24961828990040 6.941 > 5 15 Li 0.50000000000000 0.17011275917405 0.74961828990040 6.941 > 5 16 Li 0.50000000000000 0.67011275917405 0.74961828990040 6.941 > 5 17 N 0.30280647526796 0.07016022095150 0.31212852652836 14.007 > 17 18 N 0.30280647526796 0.57016022095150 0.31212852652836 14.007 > 17 19 N 0.30280647526796 0.07016022095150 0.81212852652836 14.007 > 17 20 N 0.30280647526796 0.57016022095150 0.81212852652836 14.007 > 17 21 N 0.19719352473204 0.17983977904850 0.06212852652836 14.007 > 21 22 N 0.19719352473204 0.67983977904850 0.06212852652836 14.007 > 21 23 N 0.19719352473204 0.17983977904850 0.56212852652836 14.007 > 21 24 N 0.19719352473204 0.67983977904850 0.56212852652836 14.007 > 21 25 N 0.00000000000000 0.38829185197316 0.03409247250661 14.007 > 25 26 N 0.00000000000000 0.88829185197316 0.03409247250661 14.007 > 25 27 N 0.00000000000000 0.38829185197316 0.53409247250661 14.007 > 25 28 N 0.00000000000000 0.88829185197316 0.53409247250661 14.007 > 25 29 N 0.00000000000000 0.11170814802684 0.28409247250661 14.007 > 29 30 N 0.00000000000000 0.61170814802684 0.28409247250661 14.007 > 29 31 N 0.00000000000000 0.11170814802684 0.78409247250661 14.007 > 29 32 N 0.00000000000000 0.61170814802684 0.78409247250661 14.007 > 29 33 N 0.19719352473204 0.32016022095150 0.31212852652836 14.007 > 33 34 N 0.19719352473204 0.82016022095150 0.31212852652836 14.007 > 33 35 N 0.19719352473204 0.32016022095150 0.81212852652836 14.007 > 33 36 N 0.19719352473204 0.82016022095150 0.81212852652836 14.007 > 33 37 N 0.30280647526796 0.42983977904850 0.06212852652836 14.007 > 37 38 N 0.30280647526796 0.92983977904850 0.06212852652836 14.007 > 37 39 N 0.30280647526796 0.42983977904850 0.56212852652836 14.007 > 37 40 N 0.30280647526796 0.92983977904850 0.56212852652836 14.007 > 37 41 N 0.80280647526796 0.32016022095150 0.31212852652836 14.007 > 17 42 N 0.80280647526796 0.82016022095150 0.31212852652836 14.007 > 17 43 N 0.80280647526796 0.32016022095150 0.81212852652836 14.007 > 17 44 N 0.80280647526796 0.82016022095150 0.81212852652836 14.007 > 17 45 N 0.69719352473204 0.42983977904850 0.06212852652836 14.007 > 21 46 N 0.69719352473204 0.92983977904850 0.06212852652836 14.007 > 21 47 N 0.69719352473204 0.42983977904850 0.56212852652836 14.007 > 21 48 N 0.69719352473204 0.92983977904850 0.56212852652836 14.007 > 21 49 N 0.50000000000000 0.13829185197316 0.03409247250661 14.007 > 25 50 N 0.50000000000000 0.63829185197316 0.03409247250661 14.007 > 25 51 N 0.50000000000000 0.13829185197316 0.53409247250661 14.007 > 25 52 N 0.50000000000000 0.63829185197316 0.53409247250661 14.007 > 25 53 N 0.50000000000000 0.36170814802684 0.28409247250661 14.007 > 29 54 N 0.50000000000000 0.86170814802684 0.28409247250661 14.007 > 29 55 N 0.50000000000000 0.36170814802684 0.78409247250661 14.007 > 29 56 N 0.50000000000000 0.86170814802684 0.78409247250661 14.007 > 29 57 N 0.69719352473204 0.07016022095150 0.31212852652836 14.007 > 33 58 N 0.69719352473204 0.57016022095150 0.31212852652836 14.007 > 33 59 N 0.69719352473204 0.07016022095150 0.81212852652836 14.007 > 33 60 N 0.69719352473204 0.57016022095150 0.81212852652836 14.007 > 33 61 N 0.80280647526796 0.17983977904850 0.06212852652836 14.007 > 37 62 N 0.80280647526796 0.67983977904850 0.06212852652836 14.007 > 37 63 N 0.80280647526796 0.17983977904850 0.56212852652836 14.007 > 37 64 N 0.80280647526796 0.67983977904850 0.56212852652836 14.007 > 37 65 Si 0.33445412709115 0.08185539823336 0.49344608976813 28.085 > 65 66 Si 0.33445412709115 0.58185539823336 0.49344608976813 28.085 > 65 67 Si 0.33445412709115 0.08185539823336 0.99344608976813 28.085 > 65 68 Si 0.33445412709115 0.58185539823336 0.99344608976813 28.085 > 65 69 Si 0.16554587290885 0.16814460176664 0.24344608976814 28.085 > 69 70 Si 0.16554587290885 0.66814460176664 0.24344608976814 28.085 > 69 71 Si 0.16554587290885 0.16814460176664 0.74344608976813 28.085 > 69 72 Si 0.16554587290885 0.66814460176664 0.74344608976813 28.085 > 69 73 Si 0.33445412709115 0.41814460176664 0.24344608976814 28.085 > 73 74 Si 0.33445412709115 0.91814460176664 0.24344608976814 28.085 > 73 75 Si 0.33445412709115 0.41814460176664 0.74344608976813 28.085 > 73 76 Si 0.33445412709115 0.91814460176664 0.74344608976813 28.085 > 73 77 Si 0.16554587290885 0.33185539823336 0.49344608976813 28.085 > 77 78 Si 0.16554587290885 0.83185539823336 0.49344608976813 28.085 > 77 79 Si 0.16554587290885 0.33185539823336 0.99344608976813 28.085 > 77 80 Si 0.16554587290885 0.83185539823336 0.99344608976813 28.085 > 77 81 Si 0.83445412709115 0.33185539823336 0.49344608976813 28.085 > 65 82 Si 0.83445412709115 0.83185539823336 0.49344608976813 28.085 > 65 83 Si 0.83445412709115 0.33185539823336 0.99344608976813 28.085 > 65 84 Si 0.83445412709115 0.83185539823336 0.99344608976813 28.085 > 65 85 Si 0.66554587290885 0.41814460176664 0.24344608976814 28.085 > 69 86 Si 0.66554587290885 0.91814460176664 0.24344608976814 28.085 > 69 87 Si 0.66554587290885 0.41814460176664 0.74344608976813 28.085 > 69 88 Si 0.66554587290885 0.91814460176664 0.74344608976813 28.085 > 69 89 Si 0.83445412709115 0.16814460176664 0.24344608976814 28.085 > 73 90 Si 0.83445412709115 0.66814460176664 0.24344608976814 28.085 > 73 91 Si 0.83445412709115 0.16814460176664 0.74344608976813 28.085 > 73 92 Si 0.83445412709115 0.66814460176664 0.74344608976813 28.085 > 73 93 Si 0.66554587290885 0.08185539823336 0.49344608976813 28.085 > 77 94 Si 0.66554587290885 0.58185539823336 0.49344608976813 28.085 > 77 95 Si 0.66554587290885 0.08185539823336 0.99344608976813 28.085 > 77 96 Si 0.66554587290885 0.58185539823336 0.99344608976813 28.085 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3996827 0.0000000 0.0000000 0.0000000 4.2077951 0.0000000 0.0000000 0.0000000 4.4013225 -------------------------- Born effective charges -------------------------- 1 Li 0.9700021 0.0000000 0.0000000 0.0000000 1.0274323 0.0080998 0.0000000 0.0258756 1.0579122 2 Li 0.9700021 0.0000000 0.0000000 0.0000000 1.0274323 -0.0080998 0.0000000 -0.0258756 1.0579122 3 N -2.1787216 0.4424555 -0.3513206 0.5765082 -2.5973247 -0.1153675 -0.2512927 -0.1881502 -2.8062561 4 N -2.1787216 0.4424555 0.3513206 0.5765082 -2.5973247 0.1153675 0.2512927 0.1881502 -2.8062561 5 N -3.4032558 0.0000000 0.0000000 0.0000000 -1.9370596 -0.1065184 0.0000000 -0.0281157 -1.9365362 6 N -3.4032558 0.0000000 0.0000000 0.0000000 -1.9370596 0.1065184 0.0000000 0.0281157 -1.9365362 7 N -2.1787216 -0.4424555 0.3513206 -0.5765082 -2.5973247 -0.1153675 0.2512927 -0.1881502 -2.8062561 8 N -2.1787216 -0.4424555 -0.3513206 -0.5765082 -2.5973247 0.1153675 -0.2512927 0.1881502 -2.8062561 9 Si 3.3953485 0.2058843 0.1176594 -0.2838129 3.0521384 0.0861801 -0.1357804 0.0237953 3.2455681 10 Si 3.3953485 0.2058843 -0.1176594 -0.2838129 3.0521384 -0.0861801 0.1357804 -0.0237953 3.2455681 11 Si 3.3953485 -0.2058843 0.1176594 0.2838129 3.0521384 -0.0861801 -0.1357804 -0.0237953 3.2455681 12 Si 3.3953485 -0.2058843 -0.1176594 0.2838129 3.0521384 0.0861801 0.1357804 0.0237953 3.2455681 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (xyx) -0.00000005 (xyx) -0.00000005 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 10 ] 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: 0.85, Number of G-points: 279, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/216) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 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 7.588 ( 0.000 0.000 -0.000) 0.000 8.314 ( 0.000 0.000 0.000) 0.000 9.662 ( 0.000 0.000 0.000) 0.000 9.807 ( 0.000 0.000 0.000) 0.000 10.453 ( 0.000 0.000 0.000) 0.000 11.000 ( 0.000 0.000 0.000) 0.000 11.286 ( 0.000 0.000 -0.000) 0.000 11.588 ( 0.000 0.000 0.000) 0.000 11.750 ( 0.000 0.000 -0.000) 0.000 12.388 ( 0.000 0.000 -0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 12.750 ( 0.000 0.000 0.000) 0.000 12.835 ( 0.000 0.000 0.000) 0.000 13.188 ( 0.000 0.000 -0.000) 0.000 13.281 ( 0.000 0.000 0.000) 0.000 14.529 ( 0.000 0.000 0.000) 0.000 15.853 ( 0.000 0.000 0.000) 0.000 15.936 ( 0.000 0.000 0.000) 0.000 17.637 ( 0.000 0.000 0.000) 0.000 17.786 ( 0.000 0.000 0.000) 0.000 19.900 ( 0.000 0.000 0.000) 0.000 21.412 ( 0.000 0.000 0.000) 0.000 22.792 ( 0.000 0.000 0.000) 0.000 23.999 ( 0.000 0.000 0.000) 0.000 24.657 ( 0.000 0.000 0.000) 0.000 24.880 ( 0.000 0.000 0.000) 0.000 25.165 ( 0.000 0.000 0.000) 0.000 25.802 ( 0.000 0.000 0.000) 0.000 26.817 ( 0.000 0.000 0.000) 0.000 26.838 ( 0.000 0.000 -0.000) 0.000 27.052 ( 0.000 0.000 -0.000) 0.000 31.755 ( 0.000 0.000 -0.000) 0.000 31.799 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/216) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 29.920 -57.601 0.000) 64.908 1.315 ( 41.294 -50.124 0.000) 64.943 2.010 ( 48.765 -87.182 0.000) 99.894 7.689 ( 3.292 -7.931 0.000) 8.587 8.325 ( -7.018 -4.910 0.000) 8.565 9.649 ( 7.604 4.592 0.000) 8.883 9.756 ( -2.442 4.672 0.000) 5.272 10.331 ( -0.786 10.412 0.000) 10.441 11.019 ( -8.941 -0.789 0.000) 8.976 11.184 ( -0.199 11.125 0.000) 11.127 11.547 ( 10.734 28.272 0.000) 30.241 11.748 ( -7.475 -7.493 0.000) 10.584 11.990 ( 10.065 21.105 0.000) 23.382 12.645 ( -13.160 0.281 0.000) 13.163 12.849 ( 1.120 -3.826 0.000) 3.987 13.041 ( 5.190 -25.140 0.000) 25.670 13.339 ( -0.152 -7.460 0.000) 7.462 13.678 ( 2.889 -3.547 0.000) 4.575 14.939 ( -35.647 -5.209 0.000) 36.026 15.844 ( 0.016 7.379 0.000) 7.379 16.279 ( 18.286 15.377 0.000) 23.892 17.478 ( 0.527 13.338 0.000) 13.349 18.085 ( 16.314 -14.232 0.000) 21.649 19.884 ( -3.315 2.559 0.000) 4.188 21.636 ( -12.678 -6.055 0.000) 14.050 22.764 ( -4.790 0.717 0.000) 4.843 24.013 ( -1.616 -2.442 0.000) 2.929 24.692 ( 12.265 9.112 0.000) 15.280 24.932 ( 2.472 -4.781 0.000) 5.382 25.839 ( -1.060 -4.784 0.000) 4.900 26.731 ( -14.610 -2.338 0.000) 14.796 26.793 ( -5.366 -1.763 0.000) 5.649 27.029 ( -8.589 -15.621 0.000) 17.827 29.206 (-132.634 -71.931 0.000) 150.884 31.846 ( -0.259 -5.507 0.000) 5.513 33.580 ( 166.757 97.405 0.000) 193.121 ======================= Grid point 2 (3/216) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 32.236 -54.247 0.000) 63.103 2.551 ( 36.101 -49.474 0.000) 61.246 3.932 ( 44.322 -81.823 0.000) 93.056 7.813 ( 4.258 1.235 0.000) 4.433 8.327 ( -14.139 -7.260 0.000) 15.894 9.605 ( -4.541 8.478 0.000) 9.617 9.715 ( 7.730 -4.216 0.000) 8.805 10.153 ( 0.955 10.567 0.000) 10.610 10.703 ( -19.097 17.435 0.000) 25.859 10.936 ( 4.569 22.207 0.000) 22.673 11.178 ( 0.522 12.201 0.000) 12.212 11.811 ( 1.614 5.157 0.000) 5.404 11.967 ( 9.374 -9.519 0.000) 13.360 12.478 ( -11.352 2.710 0.000) 11.671 12.844 ( -4.195 3.188 0.000) 5.269 13.449 ( -1.800 -10.505 0.000) 10.658 13.529 ( 5.140 -15.598 0.000) 16.423 13.769 ( 9.395 -2.670 0.000) 9.767 14.684 ( -16.319 3.972 0.000) 16.795 15.540 ( 6.378 27.616 0.000) 28.343 16.268 ( -14.204 -8.167 0.000) 16.385 17.212 ( -0.861 16.847 0.000) 16.869 18.518 ( 17.960 -14.814 0.000) 23.281 19.776 ( -5.338 4.828 0.000) 7.197 21.624 ( -7.842 -4.829 0.000) 9.209 22.666 ( -9.757 2.460 0.000) 10.063 24.049 ( -2.789 -4.273 0.000) 5.103 24.641 ( 7.504 7.941 0.000) 10.926 25.095 ( 8.675 -7.569 0.000) 11.513 25.937 ( -3.161 -8.641 0.000) 9.201 26.644 ( -5.936 0.791 0.000) 5.989 26.757 ( -6.146 -0.484 0.000) 6.165 27.231 ( 6.006 -9.412 0.000) 11.165 29.100 ( -64.666 -28.871 0.000) 70.819 31.974 ( -1.092 -9.743 0.000) 9.804 33.535 ( 79.938 49.211 0.000) 93.871 ======================= Grid point 3 (4/216) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( 36.583 -39.876 0.000) 54.115 3.787 ( 26.361 -57.102 0.000) 62.893 5.616 ( 33.485 -64.979 0.000) 73.100 7.714 ( 2.002 9.965 0.000) 10.164 8.317 ( -12.410 -8.413 0.000) 14.993 9.338 ( -8.110 20.206 0.000) 21.773 9.721 ( -16.323 13.646 0.000) 21.276 9.981 ( -0.803 -5.853 0.000) 5.908 10.434 ( 1.585 12.869 0.000) 12.967 10.592 ( 13.769 12.076 0.000) 18.314 11.124 ( -0.898 -2.164 0.000) 2.343 11.698 ( 3.107 9.472 0.000) 9.968 12.211 ( -3.112 -6.454 0.000) 7.165 12.414 ( 1.575 -5.435 0.000) 5.658 12.692 ( 3.032 9.814 0.000) 10.272 13.458 ( -10.988 -2.954 0.000) 11.378 13.786 ( 10.928 -2.416 0.000) 11.192 14.004 ( 4.675 -12.559 0.000) 13.401 14.463 ( -17.731 2.744 0.000) 17.942 15.121 ( 6.016 26.393 0.000) 27.070 16.206 ( -19.693 -3.652 0.000) 20.029 16.921 ( 0.640 15.697 0.000) 15.710 18.906 ( 16.564 -9.514 0.000) 19.102 19.628 ( -7.288 4.468 0.000) 8.549 21.658 ( -3.867 -5.956 0.000) 7.101 22.494 ( -12.820 4.235 0.000) 13.501 24.106 ( -3.031 -5.776 0.000) 6.522 24.571 ( 5.393 7.574 0.000) 9.298 25.349 ( 14.258 -8.356 0.000) 16.526 26.059 ( -6.619 -10.695 0.000) 12.577 26.582 ( -2.278 1.857 0.000) 2.939 26.686 ( -7.409 1.001 0.000) 7.477 27.471 ( 14.591 -6.723 0.000) 16.066 28.926 ( -42.830 -12.584 0.000) 44.641 32.145 ( -2.511 -11.715 0.000) 11.981 33.467 ( 48.287 32.101 0.000) 57.984 ======================= Grid point 4 (5/216) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.616 ( 28.864 -33.445 0.000) 44.178 4.999 ( 24.357 -53.754 0.000) 59.015 6.478 ( 10.695 -1.395 0.000) 10.786 7.816 ( -11.866 -33.231 0.000) 35.286 8.421 ( 4.850 2.396 0.000) 5.410 8.667 ( -9.537 28.967 0.000) 30.497 9.418 ( -5.994 7.484 0.000) 9.588 10.053 ( 3.953 17.388 0.000) 17.832 10.169 ( -3.903 -7.615 0.000) 8.557 10.774 ( 14.030 -2.964 0.000) 14.340 11.125 ( -4.285 2.397 0.000) 4.910 11.619 ( 2.896 0.660 0.000) 2.970 12.159 ( -5.493 3.218 0.000) 6.366 12.411 ( -4.855 2.629 0.000) 5.521 12.855 ( 22.001 -8.952 0.000) 23.753 13.390 ( -14.699 -4.432 0.000) 15.353 13.797 ( 4.774 11.156 0.000) 12.135 14.135 ( -0.422 0.894 0.000) 0.989 14.307 ( -10.970 -2.201 0.000) 11.188 14.816 ( 2.849 12.109 0.000) 12.440 16.035 ( -17.037 0.867 0.000) 17.059 16.709 ( 2.437 10.633 0.000) 10.909 19.137 ( 11.250 -0.495 0.000) 11.261 19.516 ( -6.174 -0.585 0.000) 6.202 21.750 ( 0.402 -6.469 0.000) 6.481 22.285 ( -12.352 5.032 0.000) 13.338 24.185 ( -2.897 -6.682 0.000) 7.283 24.489 ( 4.148 7.296 0.000) 8.392 25.643 ( 17.700 -6.892 0.000) 18.995 26.156 ( -11.608 -10.380 0.000) 15.572 26.528 ( -0.197 3.385 0.000) 3.391 26.584 ( -6.632 1.965 0.000) 6.917 27.747 ( 20.279 -5.210 0.000) 20.937 28.693 ( -32.760 -3.923 0.000) 32.994 32.310 ( -3.403 -10.396 0.000) 10.939 33.390 ( 28.343 20.481 0.000) 34.969 ======================= Grid point 5 (6/216) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.377 ( 18.318 -27.110 0.000) 32.719 5.885 ( 2.491 -7.344 0.000) 7.755 6.398 ( 10.841 -10.822 0.000) 15.318 7.642 ( -19.329 37.964 0.000) 42.601 8.272 ( -14.390 -26.256 0.000) 29.941 8.799 ( 12.024 4.284 0.000) 12.765 9.369 ( 4.663 -3.329 0.000) 5.729 9.916 ( 18.999 5.396 0.000) 19.751 10.213 ( -17.631 -3.986 0.000) 18.076 10.858 ( 6.821 4.624 0.000) 8.240 11.024 ( -1.892 0.876 0.000) 2.085 11.671 ( -0.724 -2.237 0.000) 2.351 12.047 ( -2.988 2.969 0.000) 4.212 12.363 ( -1.133 0.374 0.000) 1.194 13.163 ( 9.302 -3.882 0.000) 10.080 13.375 ( -2.498 -5.344 0.000) 5.899 13.613 ( -5.536 4.888 0.000) 7.385 14.038 ( 4.426 10.181 0.000) 11.102 14.264 ( -4.162 -2.009 0.000) 4.622 14.741 ( -1.239 0.375 0.000) 1.295 15.897 ( -6.614 0.569 0.000) 6.639 16.601 ( 1.342 4.026 0.000) 4.244 19.168 ( 2.470 2.166 0.000) 3.285 19.521 ( -0.963 -2.028 0.000) 2.245 21.877 ( 3.684 -5.103 0.000) 6.294 22.095 ( -8.004 4.495 0.000) 9.180 24.269 ( -2.245 -5.398 0.000) 5.846 24.408 ( 2.652 5.509 0.000) 6.114 25.907 ( 15.958 -2.958 0.000) 16.229 26.158 ( -14.922 -4.856 0.000) 15.693 26.464 ( 0.479 2.786 0.000) 2.827 26.521 ( -1.742 0.688 0.000) 1.873 28.030 ( 19.367 -3.245 0.000) 19.637 28.434 ( -22.815 0.553 0.000) 22.822 32.416 ( -1.807 -4.451 0.000) 4.804 33.334 ( 9.798 7.516 0.000) 12.349 ======================= Grid point 12 (7/216) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 58.195 -0.000 0.000) 58.195 1.177 ( 58.342 -0.000 0.000) 58.342 2.201 ( 110.473 -0.000 0.000) 110.473 7.698 ( 10.741 -0.000 0.000) 10.741 8.189 ( -11.730 0.000 0.000) 11.730 9.753 ( -6.174 0.000 0.000) 6.174 9.806 ( 13.799 -0.000 0.000) 13.799 10.452 ( 0.949 -0.000 0.000) 0.949 10.926 ( -6.912 0.000 0.000) 6.912 11.200 ( -9.598 0.000 0.000) 9.598 11.511 ( -20.820 0.000 0.000) 20.820 12.235 ( -11.797 0.000 0.000) 11.797 12.277 ( -4.543 0.000 0.000) 4.543 12.564 ( -1.188 0.000 0.000) 1.188 12.759 ( 6.226 -0.000 0.000) 6.226 12.851 ( 7.097 -0.000 0.000) 7.097 13.264 ( -1.514 0.000 0.000) 1.514 13.450 ( 18.757 -0.000 0.000) 18.757 14.524 ( -0.324 0.000 0.000) 0.324 15.730 ( -12.132 0.000 0.000) 12.132 16.854 ( -9.790 0.000 0.000) 9.790 17.711 ( 7.045 -0.000 0.000) 7.045 17.987 ( 2.490 -0.000 0.000) 2.490 19.849 ( -5.095 0.000 0.000) 5.095 21.374 ( -3.607 0.000 0.000) 3.607 22.716 ( -7.007 0.000 0.000) 7.007 23.983 ( -1.408 0.000 0.000) 1.408 24.889 ( 0.869 -0.000 0.000) 0.869 25.175 ( 0.982 -0.000 0.000) 0.982 25.643 ( 3.880 -0.000 0.000) 3.880 25.794 ( -0.261 0.000 0.000) 0.261 26.743 ( -4.543 0.000 0.000) 4.543 26.952 ( 8.428 -0.000 0.000) 8.428 28.139 ( 12.165 -0.000 0.000) 12.165 31.791 ( -0.836 0.000 0.000) 0.836 35.797 ( -3.736 0.000 0.000) 3.736 ======================= Grid point 13 (8/216) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 48.341 -36.168 0.000) 60.374 2.213 ( 46.698 -44.082 0.000) 64.218 3.567 ( 93.738 -34.460 0.000) 99.871 7.843 ( 10.727 -2.299 0.000) 10.971 8.097 ( -13.332 -4.319 0.000) 14.014 9.637 ( -10.152 3.776 0.000) 10.831 9.894 ( 13.965 8.341 0.000) 16.267 10.341 ( 3.460 9.468 0.000) 10.080 10.762 ( -15.942 10.525 0.000) 19.103 11.077 ( -8.426 2.639 0.000) 8.830 11.382 ( -19.278 -4.517 0.000) 19.800 11.792 ( 3.147 20.921 0.000) 21.157 12.150 ( 0.955 5.251 0.000) 5.337 12.446 ( -6.834 4.596 0.000) 8.236 12.803 ( 1.309 0.954 0.000) 1.620 13.218 ( 10.979 -19.576 0.000) 22.444 13.333 ( -0.371 -8.661 0.000) 8.669 13.821 ( 10.235 -9.126 0.000) 13.712 14.525 ( -10.968 -1.151 0.000) 11.029 15.657 ( -15.192 -6.281 0.000) 16.440 16.434 ( -1.957 27.891 0.000) 27.960 17.456 ( -2.068 18.048 0.000) 18.166 18.382 ( 11.984 -21.575 0.000) 24.680 19.773 ( -7.713 2.086 0.000) 7.990 21.418 ( -8.191 -7.716 0.000) 11.253 22.615 ( -9.041 2.568 0.000) 9.398 23.976 ( -1.803 -1.377 0.000) 2.268 24.897 ( 6.177 9.625 0.000) 11.436 25.039 ( 7.280 -3.827 0.000) 8.224 25.800 ( -2.869 -4.281 0.000) 5.154 26.216 ( -18.397 -34.249 0.000) 38.877 26.692 ( -5.612 0.165 0.000) 5.615 27.103 ( 10.121 -7.531 0.000) 12.616 28.385 ( 2.593 -11.810 0.000) 12.091 31.826 ( -1.631 -5.173 0.000) 5.424 35.145 ( 27.496 57.306 0.000) 63.561 ======================= Grid point 14 (9/216) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 40.113 -46.005 0.000) 61.038 3.414 ( 44.612 -41.187 0.000) 60.717 5.072 ( 65.348 -45.804 0.000) 79.802 7.845 ( -6.906 5.753 0.000) 8.988 8.145 ( 3.944 -6.619 0.000) 7.705 9.437 ( -13.037 5.338 0.000) 14.088 9.743 ( -4.623 11.296 0.000) 12.206 10.163 ( -11.626 23.694 0.000) 26.393 10.491 ( 7.801 -3.759 0.000) 8.660 10.961 ( -1.319 10.242 0.000) 10.326 11.161 ( -1.544 8.539 0.000) 8.678 11.701 ( -6.808 -3.153 0.000) 7.503 12.138 ( -1.987 -2.236 0.000) 2.992 12.348 ( -5.311 -0.806 0.000) 5.372 12.802 ( 7.916 1.746 0.000) 8.106 13.417 ( -0.863 0.867 0.000) 1.223 13.641 ( 5.751 -18.275 0.000) 19.159 13.951 ( 7.444 -0.439 0.000) 7.457 14.380 ( -13.653 2.884 0.000) 13.954 15.545 ( -7.051 9.344 0.000) 11.706 16.030 ( -8.657 11.315 0.000) 14.246 17.119 ( -8.445 14.431 0.000) 16.720 18.845 ( 14.083 -16.409 0.000) 21.624 19.628 ( -9.326 4.609 0.000) 10.403 21.480 ( -6.226 -8.420 0.000) 10.472 22.455 ( -9.960 4.807 0.000) 11.060 23.999 ( -2.131 -3.533 0.000) 4.126 24.781 ( 6.371 10.075 0.000) 11.920 25.283 ( 8.675 -12.837 0.000) 15.493 25.857 ( -4.694 -6.300 0.000) 7.856 26.444 ( -11.667 -13.013 0.000) 17.477 26.625 ( -6.833 0.504 0.000) 6.852 27.396 ( 10.740 -13.385 0.000) 17.161 28.516 ( -3.331 -3.977 0.000) 5.187 31.923 ( -3.650 -8.824 0.000) 9.549 34.567 ( 29.887 44.192 0.000) 53.350 ======================= Grid point 15 (10/216) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( 35.041 -47.887 0.000) 59.338 4.461 ( 42.384 -30.186 0.000) 52.035 6.304 ( 31.727 -37.989 0.000) 49.495 7.526 ( -17.062 15.043 0.000) 22.747 8.429 ( 21.228 -13.325 0.000) 25.064 9.126 ( -13.136 29.754 0.000) 32.525 9.348 ( -19.725 5.852 0.000) 20.575 9.868 ( -8.462 -4.546 0.000) 9.606 10.565 ( 8.111 17.119 0.000) 18.943 10.840 ( 11.533 -1.993 0.000) 11.704 11.133 ( 2.419 0.726 0.000) 2.526 11.651 ( -5.674 0.275 0.000) 5.681 12.117 ( -7.923 -0.620 0.000) 7.948 12.318 ( -9.467 -3.006 0.000) 9.932 12.980 ( 21.816 -4.427 0.000) 22.260 13.280 ( -5.845 7.225 0.000) 9.293 13.948 ( -0.635 -13.131 0.000) 13.146 14.024 ( -0.417 3.942 0.000) 3.964 14.186 ( -6.345 0.813 0.000) 6.397 15.227 ( 4.295 23.049 0.000) 23.446 15.837 ( -16.566 -1.336 0.000) 16.620 16.823 ( -10.754 8.576 0.000) 13.755 19.195 ( 12.150 -7.932 0.000) 14.510 19.452 ( -10.064 3.252 0.000) 10.576 21.595 ( -2.979 -10.117 0.000) 10.547 22.271 ( -8.049 5.675 0.000) 9.848 24.054 ( -2.229 -5.336 0.000) 5.783 24.675 ( 5.110 8.952 0.000) 10.307 25.616 ( 11.202 -13.929 0.000) 17.874 25.907 ( -8.231 -6.344 0.000) 10.392 26.504 ( -5.270 -4.685 0.000) 7.051 26.546 ( -6.554 0.742 0.000) 6.596 27.741 ( 11.618 -13.112 0.000) 17.518 28.478 ( -3.861 3.193 0.000) 5.011 32.043 ( -7.088 -10.935 0.000) 13.031 34.166 ( 23.706 34.260 0.000) 41.662 ======================= Grid point 16 (11/216) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.241 ( 33.377 -18.491 0.000) 38.156 5.536 ( 29.365 -42.973 0.000) 52.048 6.676 ( 7.264 23.704 0.000) 24.792 7.435 ( -17.779 -38.069 0.000) 42.016 8.206 ( -18.969 43.279 0.000) 47.253 8.937 ( 9.611 -6.810 0.000) 11.779 9.298 ( 5.756 -8.374 0.000) 10.162 9.924 ( -10.460 -9.720 0.000) 14.279 10.320 ( 12.236 19.044 0.000) 22.636 10.993 ( 7.780 -1.269 0.000) 7.883 11.062 ( -2.441 8.372 0.000) 8.720 11.653 ( 1.610 -3.169 0.000) 3.555 12.014 ( -9.950 0.415 0.000) 9.958 12.300 ( -4.450 -2.757 0.000) 5.234 13.137 ( -9.903 -6.006 0.000) 11.582 13.289 ( 18.346 0.182 0.000) 18.347 13.723 ( -9.510 13.981 0.000) 16.909 14.128 ( -1.964 -8.374 0.000) 8.601 14.241 ( 4.147 0.632 0.000) 4.195 14.925 ( 8.710 17.141 0.000) 19.227 15.751 ( -11.288 -5.713 0.000) 12.652 16.610 ( -12.338 3.300 0.000) 12.772 19.225 ( -4.201 4.964 0.000) 6.503 19.466 ( 3.090 -5.459 0.000) 6.272 21.757 ( -1.160 -10.392 0.000) 10.456 22.122 ( -2.359 4.938 0.000) 5.472 24.134 ( -2.334 -6.356 0.000) 6.771 24.572 ( 4.224 8.381 0.000) 9.385 25.890 ( -14.032 -4.006 0.000) 14.592 25.963 ( 13.089 -11.775 0.000) 17.605 26.488 ( -3.270 -0.267 0.000) 3.280 26.516 ( -1.280 -0.601 0.000) 1.414 27.998 ( -1.775 -5.953 0.000) 6.212 28.420 ( 11.128 2.173 0.000) 11.338 32.149 ( -11.596 -11.880 0.000) 16.601 33.833 ( 16.207 27.854 0.000) 32.226 ======================= Grid point 17 (12/216) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.707 ( 9.916 6.832 0.000) 12.042 5.913 ( 6.336 10.530 0.000) 12.289 6.613 ( 6.341 -0.178 0.000) 6.344 7.393 ( -3.401 9.119 0.000) 9.733 8.065 ( -5.151 -37.710 0.000) 38.060 8.933 ( -3.288 2.393 0.000) 4.066 9.453 ( 9.624 10.150 0.000) 13.987 9.775 ( -22.175 11.291 0.000) 24.884 10.346 ( 18.050 -5.668 0.000) 18.919 10.835 ( -8.133 10.523 0.000) 13.299 11.045 ( 3.375 0.437 0.000) 3.403 11.746 ( 6.725 -0.873 0.000) 6.782 11.974 ( -3.945 -4.317 0.000) 5.848 12.311 ( -2.367 -2.739 0.000) 3.621 13.230 ( -2.080 -0.288 0.000) 2.100 13.307 ( -6.478 -4.851 0.000) 8.093 13.481 ( -5.465 2.916 0.000) 6.195 14.151 ( 6.259 11.481 0.000) 13.076 14.282 ( 6.827 -5.240 0.000) 8.606 14.844 ( 9.931 5.446 0.000) 11.326 15.834 ( 0.149 -10.325 0.000) 10.326 16.464 ( -14.711 -2.174 0.000) 14.871 19.115 ( -6.351 1.247 0.000) 6.472 19.550 ( 2.760 -0.868 0.000) 2.894 21.862 ( -4.391 -2.810 0.000) 5.213 22.115 ( 8.639 -2.360 0.000) 8.955 24.221 ( -2.385 -6.360 0.000) 6.793 24.471 ( 3.471 7.777 0.000) 8.516 25.762 ( -17.227 0.527 0.000) 17.235 26.261 ( 10.984 -8.227 0.000) 13.723 26.494 ( 3.380 2.160 0.000) 4.011 26.509 ( 0.413 -1.771 0.000) 1.819 27.873 ( -17.424 4.474 0.000) 17.990 28.677 ( 29.122 -4.628 0.000) 29.487 32.215 ( -16.608 -11.731 0.000) 20.333 33.518 ( 7.684 22.637 0.000) 23.906 ======================= Grid point 18 (13/216) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.061 ( -12.893 41.255 0.000) 43.222 5.732 ( -11.120 49.833 0.000) 51.058 6.319 ( 1.879 -8.464 0.000) 8.670 8.027 ( 16.339 -39.423 0.000) 42.675 8.489 ( -1.533 -8.133 0.000) 8.276 8.690 ( 10.417 45.511 0.000) 46.688 9.148 ( -14.825 -15.737 0.000) 21.620 9.669 ( -4.845 -11.159 0.000) 12.166 10.467 ( 3.759 12.312 0.000) 12.873 10.638 ( -10.878 -2.730 0.000) 11.216 11.117 ( 6.895 -4.011 0.000) 7.977 11.714 ( 1.573 10.360 0.000) 10.479 12.083 ( 0.804 -9.073 0.000) 9.108 12.326 ( -4.726 -3.231 0.000) 5.725 12.931 ( -10.798 16.813 0.000) 19.982 13.433 ( 2.433 -9.280 0.000) 9.593 13.637 ( -3.050 -15.980 0.000) 16.268 14.025 ( 3.168 5.834 0.000) 6.639 14.465 ( 16.386 -1.980 0.000) 16.505 14.824 ( 4.801 6.472 0.000) 8.058 16.083 ( 11.275 -10.767 0.000) 15.590 16.419 ( -16.127 -11.104 0.000) 19.580 19.038 ( -8.860 0.302 0.000) 8.865 19.573 ( 3.142 0.451 0.000) 3.174 21.817 ( -1.748 2.633 0.000) 3.160 22.310 ( 11.792 -6.470 0.000) 13.451 24.291 ( -0.504 -2.058 0.000) 2.119 24.386 ( 0.887 3.259 0.000) 3.378 25.552 ( -16.967 3.663 0.000) 17.357 26.420 ( 7.126 3.081 0.000) 7.764 26.461 ( 0.411 -0.429 0.000) 0.594 26.621 ( 10.289 -3.044 0.000) 10.730 27.601 ( -20.237 4.241 0.000) 20.677 29.077 ( 37.406 -3.297 0.000) 37.551 32.218 ( -21.621 -10.246 0.000) 23.925 33.203 ( -2.853 16.977 0.000) 17.215 ======================= Grid point 19 (14/216) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.150 ( -17.249 47.269 0.000) 50.318 4.609 ( -14.345 60.622 0.000) 62.296 6.294 ( -7.439 27.025 0.000) 28.030 7.689 ( -12.901 24.409 0.000) 27.609 8.622 ( 15.966 6.165 0.000) 17.115 8.980 ( 18.105 -32.354 0.000) 37.075 9.468 ( 0.971 -22.915 0.000) 22.936 9.960 ( -3.972 -25.580 0.000) 25.887 10.255 ( -0.182 9.785 0.000) 9.787 10.472 ( -13.401 9.386 0.000) 16.360 11.229 ( 5.999 3.490 0.000) 6.940 11.516 ( -7.384 2.322 0.000) 7.740 12.268 ( 5.690 -8.044 0.000) 9.853 12.415 ( -5.817 -13.895 0.000) 15.063 12.562 ( -4.810 15.436 0.000) 16.168 13.601 ( -1.555 -6.614 0.000) 6.794 13.718 ( 6.586 6.980 0.000) 9.597 14.054 ( -6.781 -4.795 0.000) 8.305 14.651 ( 17.922 0.431 0.000) 17.927 14.781 ( 0.047 -2.935 0.000) 2.935 16.370 ( 14.924 -6.025 0.000) 16.094 16.548 ( -11.757 -20.000 0.000) 23.200 18.888 ( -11.895 5.795 0.000) 13.232 19.625 ( 4.105 -2.508 0.000) 4.810 21.761 ( 1.150 3.332 0.000) 3.525 22.532 ( 10.857 -5.694 0.000) 12.259 24.247 ( 3.277 6.548 0.000) 7.322 24.412 ( -3.560 -5.684 0.000) 6.707 25.321 ( -13.313 5.314 0.000) 14.334 26.326 ( 5.494 11.589 0.000) 12.826 26.527 ( -0.195 -4.312 0.000) 4.317 26.759 ( 10.781 0.045 0.000) 10.782 27.362 ( -17.840 0.971 0.000) 17.867 29.530 ( 48.840 -0.409 0.000) 48.842 32.135 ( -27.110 -7.879 0.000) 28.231 32.873 ( -16.075 10.907 0.000) 19.426 ======================= Grid point 20 (15/216) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -16.218 53.601 0.000) 56.001 3.416 ( -10.129 63.553 0.000) 64.355 5.127 ( -13.626 82.533 0.000) 83.650 7.635 ( -2.783 -13.157 0.000) 13.448 8.619 ( 11.194 10.465 0.000) 15.324 9.445 ( 2.777 -13.557 0.000) 13.838 9.917 ( -2.085 9.093 0.000) 9.329 9.976 ( 7.850 -0.545 0.000) 7.869 10.315 ( -12.172 -32.373 0.000) 34.585 10.516 ( 5.744 -22.010 0.000) 22.747 11.146 ( 0.892 5.237 0.000) 5.312 11.537 ( -8.556 -9.701 0.000) 12.935 12.226 ( -0.045 16.148 0.000) 16.148 12.500 ( 8.076 -8.070 0.000) 11.417 12.676 ( -1.898 -15.340 0.000) 15.457 13.582 ( -6.581 2.215 0.000) 6.944 13.672 ( 8.428 6.868 0.000) 10.872 13.881 ( -6.799 14.857 0.000) 16.339 14.767 ( 10.070 1.208 0.000) 10.142 15.021 ( -3.237 -23.964 0.000) 24.181 16.533 ( 10.752 2.929 0.000) 11.144 16.852 ( -3.966 -22.834 0.000) 23.176 18.612 ( -10.109 12.857 0.000) 16.355 19.727 ( 2.618 -4.969 0.000) 5.617 21.730 ( 2.492 2.310 0.000) 3.398 22.700 ( 6.332 -3.546 0.000) 7.258 24.166 ( 2.401 6.038 0.000) 6.498 24.476 ( -3.401 -5.642 0.000) 6.587 25.125 ( -6.750 5.594 0.000) 8.767 26.153 ( 2.619 12.542 0.000) 12.813 26.602 ( 0.200 -4.596 0.000) 4.601 26.823 ( 5.474 1.636 0.000) 5.713 27.225 ( -8.641 0.123 0.000) 8.641 30.083 ( 65.640 0.513 0.000) 65.642 31.945 ( -39.674 -7.570 0.000) 40.390 32.495 ( -25.704 9.379 0.000) 27.362 ======================= Grid point 21 (16/216) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 0.000 58.333 0.000) 58.333 2.249 ( 0.000 65.345 0.000) 65.345 3.481 ( 0.000 96.849 0.000) 96.849 7.773 ( -0.000 -0.768 0.000) 0.768 8.491 ( 0.000 9.734 0.000) 9.734 9.603 ( 0.000 7.079 0.000) 7.079 9.647 ( -0.000 -8.607 0.000) 8.607 10.166 ( -0.000 -9.244 0.000) 9.244 10.857 ( -0.000 -25.606 0.000) 25.606 11.019 ( -0.000 -31.949 0.000) 31.949 11.096 ( 0.000 0.973 0.000) 0.973 11.657 ( -0.000 -10.854 0.000) 10.854 11.964 ( 0.000 13.825 0.000) 13.825 12.691 ( -0.000 -6.042 0.000) 6.042 12.827 ( -0.000 -3.643 0.000) 3.643 13.468 ( 0.000 6.983 0.000) 6.983 13.469 ( 0.000 24.801 0.000) 24.801 13.661 ( 0.000 1.100 0.000) 1.100 14.903 ( -0.000 -12.411 0.000) 12.411 15.426 ( -0.000 -24.096 0.000) 24.096 16.452 ( 0.000 13.226 0.000) 13.226 17.199 ( -0.000 -18.723 0.000) 18.723 18.289 ( 0.000 17.334 0.000) 17.334 19.830 ( -0.000 -5.012 0.000) 5.012 21.721 ( 0.000 0.847 0.000) 0.847 22.773 ( -0.000 -1.485 0.000) 1.485 24.086 ( 0.000 4.667 0.000) 4.667 24.545 ( -0.000 -4.815 0.000) 4.815 25.002 ( 0.000 5.130 0.000) 5.130 25.970 ( 0.000 9.610 0.000) 9.610 26.691 ( -0.000 -5.387 0.000) 5.387 26.824 ( 0.000 0.890 0.000) 0.890 27.166 ( 0.000 2.686 0.000) 2.686 30.722 ( -0.000 -9.865 0.000) 9.865 31.642 ( -0.000 -2.202 0.000) 2.202 32.115 ( 0.000 14.046 0.000) 14.046 ======================= Grid point 24 (17/216) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 51.444 -0.000 0.000) 51.444 2.282 ( 55.679 -0.000 0.000) 55.679 4.329 ( 104.793 -0.000 0.000) 104.793 7.903 ( -15.721 0.000 0.000) 15.721 7.981 ( 16.697 -0.000 0.000) 16.697 9.546 ( -14.100 0.000 0.000) 14.100 10.151 ( 18.817 -0.000 0.000) 18.817 10.534 ( 7.825 -0.000 0.000) 7.825 10.724 ( -14.413 0.000 0.000) 14.413 10.861 ( -24.731 0.000 0.000) 24.731 11.119 ( -14.166 0.000 0.000) 14.166 11.898 ( -20.026 0.000 0.000) 20.026 12.210 ( -4.398 0.000 0.000) 4.398 12.429 ( -7.334 0.000 0.000) 7.334 12.965 ( 3.742 -0.000 0.000) 3.742 13.111 ( 23.410 -0.000 0.000) 23.410 13.238 ( -0.513 0.000 0.000) 0.513 13.794 ( 14.923 -0.000 0.000) 14.923 14.524 ( 0.484 -0.000 0.000) 0.484 15.400 ( -20.673 0.000 0.000) 20.673 16.554 ( -20.698 0.000 0.000) 20.698 17.886 ( 9.892 -0.000 0.000) 9.892 18.043 ( 2.954 -0.000 0.000) 2.954 19.705 ( -9.215 0.000 0.000) 9.215 21.284 ( -5.105 0.000 0.000) 5.105 22.560 ( -7.622 0.000 0.000) 7.622 23.954 ( -1.375 0.000 0.000) 1.375 24.913 ( 1.478 -0.000 0.000) 1.478 25.203 ( 1.746 -0.000 0.000) 1.746 25.679 ( -0.996 0.000 0.000) 0.996 25.837 ( 4.867 -0.000 0.000) 4.867 26.636 ( -6.389 0.000 0.000) 6.389 27.160 ( 12.274 -0.000 0.000) 12.274 28.462 ( 19.520 -0.000 0.000) 19.520 31.768 ( -1.473 0.000 0.000) 1.473 35.693 ( -6.583 0.000 0.000) 6.583 ======================= Grid point 25 (18/216) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 50.003 -24.809 0.000) 55.819 3.110 ( 42.572 -37.805 0.000) 56.935 5.411 ( 89.730 -9.114 0.000) 90.192 7.783 ( -9.933 -2.266 0.000) 10.188 8.160 ( 13.492 -2.250 0.000) 13.679 9.371 ( -14.840 3.733 0.000) 15.302 10.009 ( -5.537 22.755 0.000) 23.419 10.385 ( -22.285 16.916 0.000) 27.978 10.542 ( 15.847 -1.276 0.000) 15.898 10.961 ( -0.545 -9.127 0.000) 9.143 11.049 ( -12.143 -8.256 0.000) 14.684 11.688 ( -13.955 2.470 0.000) 14.172 12.055 ( -6.745 6.204 0.000) 9.164 12.326 ( -4.936 3.488 0.000) 6.044 12.941 ( 7.764 2.197 0.000) 8.069 13.337 ( 1.251 -9.558 0.000) 9.639 13.485 ( 16.668 -10.203 0.000) 19.543 14.006 ( 7.294 -5.928 0.000) 9.399 14.366 ( -7.058 12.886 0.000) 14.692 15.315 ( -17.979 -11.290 0.000) 21.229 16.225 ( -18.897 11.852 0.000) 22.306 17.433 ( 0.198 30.786 0.000) 30.787 18.583 ( 8.811 -27.677 0.000) 29.046 19.589 ( -10.627 2.201 0.000) 10.852 21.287 ( -5.610 -5.911 0.000) 8.149 22.457 ( -6.099 3.948 0.000) 7.265 23.946 ( -1.275 -0.852 0.000) 1.534 24.987 ( 3.872 1.143 0.000) 4.037 25.145 ( 3.296 -2.073 0.000) 3.893 25.727 ( -4.222 -4.587 0.000) 6.234 26.056 ( -1.095 -16.881 0.000) 16.916 26.566 ( -7.052 0.365 0.000) 7.061 27.342 ( 13.328 -6.652 0.000) 14.895 28.628 ( 17.533 3.671 0.000) 17.913 31.785 ( -2.379 -3.854 0.000) 4.530 35.368 ( 1.653 27.391 0.000) 27.441 ======================= Grid point 26 (19/216) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( 42.374 -37.032 0.000) 56.275 4.248 ( 38.647 -44.617 0.000) 59.028 6.238 ( 45.627 -6.781 0.000) 46.128 7.739 ( 3.967 11.339 0.000) 12.013 8.369 ( 11.859 -12.627 0.000) 17.323 9.142 ( -12.407 4.191 0.000) 13.096 9.606 ( -8.738 23.311 0.000) 24.895 9.811 ( -18.156 13.429 0.000) 22.583 10.748 ( 8.991 -2.119 0.000) 9.237 10.942 ( 1.887 3.000 0.000) 3.544 11.171 ( 3.469 -4.664 0.000) 5.813 11.561 ( -8.650 0.039 0.000) 8.650 11.926 ( -14.822 -2.958 0.000) 15.114 12.245 ( -2.063 1.298 0.000) 2.437 13.090 ( 13.790 -6.942 0.000) 15.439 13.428 ( 1.825 7.435 0.000) 7.656 13.725 ( 0.709 -8.211 0.000) 8.241 14.021 ( 0.078 3.294 0.000) 3.295 14.189 ( -3.868 -0.531 0.000) 3.904 15.341 ( -10.658 -6.261 0.000) 12.361 15.842 ( -13.467 12.977 0.000) 18.702 16.931 ( -8.740 21.773 0.000) 23.461 19.073 ( 9.266 -18.535 0.000) 20.722 19.424 ( -10.848 4.355 0.000) 11.689 21.370 ( -5.398 -9.917 0.000) 11.291 22.321 ( -3.161 5.945 0.000) 6.733 23.965 ( -1.384 -2.925 0.000) 3.236 24.895 ( 5.332 10.378 0.000) 11.667 25.396 ( 2.765 -18.020 0.000) 18.231 25.756 ( -5.542 -4.331 0.000) 7.034 26.283 ( -4.175 -12.268 0.000) 12.959 26.490 ( -6.721 0.319 0.000) 6.729 27.639 ( 13.156 -11.648 0.000) 17.572 28.664 ( 13.656 9.531 0.000) 16.653 31.838 ( -4.872 -5.962 0.000) 7.699 34.906 ( 7.932 30.901 0.000) 31.903 ======================= Grid point 27 (20/216) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.114 ( 36.235 -41.697 0.000) 55.241 5.292 ( 40.534 -27.672 0.000) 49.079 6.663 ( 1.898 -22.924 0.000) 23.003 7.322 ( 0.010 35.507 0.000) 35.507 8.633 ( -15.450 2.332 0.000) 15.625 8.851 ( -14.557 25.827 0.000) 29.647 9.293 ( 25.192 -11.279 0.000) 27.602 9.719 ( -4.111 -5.381 0.000) 6.772 10.683 ( 4.060 11.109 0.000) 11.827 11.015 ( 4.264 -1.793 0.000) 4.626 11.221 ( 4.831 6.202 0.000) 7.862 11.538 ( -4.191 -7.679 0.000) 8.748 11.836 ( -15.554 -4.127 0.000) 16.092 12.244 ( 0.924 -1.217 0.000) 1.529 13.121 ( -7.300 13.158 0.000) 15.047 13.429 ( 14.802 -7.586 0.000) 16.633 13.776 ( -6.662 1.126 0.000) 6.757 13.981 ( -6.177 -1.022 0.000) 6.261 14.250 ( 8.150 -4.374 0.000) 9.249 15.287 ( 1.614 8.125 0.000) 8.284 15.569 ( -10.677 2.331 0.000) 10.929 16.537 ( -16.341 9.574 0.000) 18.940 19.240 ( -9.892 4.651 0.000) 10.931 19.394 ( 7.170 -9.365 0.000) 11.794 21.517 ( -4.917 -12.866 0.000) 13.773 22.211 ( 1.579 5.351 0.000) 5.579 24.017 ( -1.534 -4.786 0.000) 5.026 24.772 ( 4.675 9.674 0.000) 10.745 25.682 ( -6.568 -8.088 0.000) 10.419 25.823 ( 1.941 -13.568 0.000) 13.706 26.404 ( -4.303 -6.298 0.000) 7.628 26.441 ( -3.722 -2.024 0.000) 4.237 27.937 ( 9.111 -6.770 0.000) 11.351 28.624 ( 13.844 7.495 0.000) 15.743 31.882 ( -8.832 -6.777 0.000) 11.133 34.469 ( 8.774 29.642 0.000) 30.914 ======================= Grid point 28 (21/216) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.884 ( 30.458 -3.090 0.000) 30.614 6.124 ( 28.928 -25.839 0.000) 38.788 6.666 ( -6.875 22.528 0.000) 23.554 7.279 ( 0.714 -43.857 0.000) 43.863 7.838 ( -17.565 44.314 0.000) 47.668 8.697 ( -19.957 -8.679 0.000) 21.762 9.559 ( -4.675 -0.993 0.000) 4.779 9.923 ( 22.199 0.317 0.000) 22.201 10.533 ( 8.415 11.138 0.000) 13.960 10.954 ( -7.660 9.646 0.000) 12.318 11.124 ( 4.457 4.787 0.000) 6.541 11.703 ( 2.765 -7.525 0.000) 8.017 11.810 ( -9.193 -8.605 0.000) 12.592 12.280 ( 3.046 -1.680 0.000) 3.479 12.946 ( -11.035 -5.564 0.000) 12.358 13.468 ( 0.582 10.925 0.000) 10.940 13.605 ( -2.211 13.055 0.000) 13.241 14.107 ( 4.063 -15.613 0.000) 16.133 14.378 ( 6.100 0.741 0.000) 6.144 15.135 ( 11.165 14.033 0.000) 17.933 15.593 ( -4.627 -12.881 0.000) 13.686 16.265 ( -20.801 1.270 0.000) 20.840 19.085 ( -7.592 3.056 0.000) 8.184 19.548 ( 3.631 -2.997 0.000) 4.708 21.690 ( -4.293 -11.417 0.000) 12.197 22.187 ( 6.640 1.528 0.000) 6.813 24.094 ( -1.628 -5.826 0.000) 6.049 24.654 ( 3.940 9.028 0.000) 9.851 25.619 ( -12.321 0.350 0.000) 12.326 26.151 ( 5.747 -14.909 0.000) 15.978 26.440 ( -2.009 -5.097 0.000) 5.479 26.488 ( -1.088 -3.566 0.000) 3.728 27.928 ( -1.133 11.481 0.000) 11.537 28.808 ( 21.306 -8.407 0.000) 22.905 31.889 ( -13.794 -6.821 0.000) 15.388 34.050 ( 6.671 28.249 0.000) 29.026 ======================= Grid point 29 (22/216) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.723 ( -2.326 42.564 0.000) 42.628 6.170 ( 13.038 0.123 0.000) 13.039 6.610 ( -3.982 42.442 0.000) 42.628 7.488 ( 9.803 -36.030 0.000) 37.340 8.083 ( 5.455 -41.325 0.000) 41.684 8.692 ( -16.817 -12.368 0.000) 20.876 9.370 ( -17.026 16.246 0.000) 23.534 9.767 ( 19.105 26.574 0.000) 32.729 10.561 ( -4.008 4.135 0.000) 5.759 10.648 ( -1.825 8.225 0.000) 8.425 11.143 ( 5.856 -0.649 0.000) 5.892 11.780 ( -4.374 -2.374 0.000) 4.976 11.903 ( -3.162 -9.875 0.000) 10.369 12.369 ( 8.443 4.749 0.000) 9.687 13.078 ( -10.340 -22.571 0.000) 24.827 13.164 ( -6.566 19.049 0.000) 20.149 13.457 ( 1.576 0.426 0.000) 1.632 14.275 ( 5.335 10.162 0.000) 11.477 14.502 ( 13.266 -11.888 0.000) 17.813 15.041 ( 9.681 10.190 0.000) 14.055 15.868 ( -0.609 -18.927 0.000) 18.937 16.092 ( -18.202 -5.617 0.000) 19.049 18.983 ( -5.841 1.610 0.000) 6.059 19.596 ( 1.612 -0.370 0.000) 1.654 21.791 ( -2.387 -4.000 0.000) 4.658 22.300 ( 8.244 -5.521 0.000) 9.922 24.182 ( -1.515 -6.052 0.000) 6.239 24.537 ( 3.005 8.552 0.000) 9.065 25.465 ( -11.707 3.177 0.000) 12.131 26.364 ( 1.412 -5.948 0.000) 6.113 26.515 ( 0.483 -0.518 0.000) 0.708 26.611 ( 5.579 -11.302 0.000) 12.604 27.625 ( -7.537 16.576 0.000) 18.209 29.245 ( 25.624 -13.930 0.000) 29.165 31.839 ( -19.058 -6.008 0.000) 19.982 33.624 ( 3.210 27.067 0.000) 27.257 ======================= Grid point 30 (23/216) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.889 ( -4.387 49.187 0.000) 49.383 5.554 ( -5.270 59.693 0.000) 59.925 6.377 ( 2.246 -5.666 0.000) 6.095 8.209 ( 3.112 15.842 0.000) 16.145 8.409 ( -2.980 -17.568 0.000) 17.819 8.888 ( 1.458 -22.115 0.000) 22.163 8.996 ( 1.847 -10.924 0.000) 11.079 9.730 ( 10.931 -1.146 0.000) 10.991 10.213 ( -18.425 8.440 0.000) 20.266 10.629 ( 1.757 7.031 0.000) 7.247 11.244 ( 4.309 -4.024 0.000) 5.896 11.704 ( -1.680 11.217 0.000) 11.343 12.097 ( 0.913 -13.072 0.000) 13.104 12.228 ( -3.598 4.351 0.000) 5.645 12.800 ( -2.781 16.197 0.000) 16.434 13.474 ( 2.401 -12.858 0.000) 13.080 13.547 ( -4.734 -20.138 0.000) 20.687 14.102 ( 2.854 13.094 0.000) 13.402 14.743 ( 5.484 -0.296 0.000) 5.492 14.976 ( 12.106 8.529 0.000) 14.808 16.048 ( -15.859 -20.004 0.000) 25.527 16.281 ( 5.892 -15.608 0.000) 16.683 18.889 ( -4.684 3.859 0.000) 6.069 19.619 ( 1.250 -1.223 0.000) 1.749 21.801 ( -0.247 0.706 0.000) 0.748 22.495 ( 5.532 -7.965 0.000) 9.698 24.271 ( -0.804 -5.662 0.000) 5.719 24.419 ( 1.418 7.815 0.000) 7.943 25.300 ( -7.294 4.593 0.000) 8.619 26.451 ( -0.019 -4.331 0.000) 4.331 26.496 ( 1.145 4.011 0.000) 4.171 26.865 ( 11.308 -7.026 0.000) 13.313 27.264 ( -12.971 12.213 0.000) 17.816 29.764 ( 25.810 -16.259 0.000) 30.504 31.719 ( -21.520 -3.600 0.000) 21.819 33.185 ( 0.025 25.649 0.000) 25.649 ======================= Grid point 31 (24/216) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 0.000 53.575 0.000) 53.575 4.463 ( 0.000 63.083 0.000) 63.083 6.214 ( 0.000 39.142 0.000) 39.142 7.552 ( 0.000 17.585 0.000) 17.585 8.779 ( -0.000 -3.586 0.000) 3.586 9.223 ( -0.000 -14.532 0.000) 14.532 9.523 ( -0.000 -40.275 0.000) 40.275 9.866 ( -0.000 -6.253 0.000) 6.253 10.164 ( -0.000 -16.883 0.000) 16.883 10.386 ( 0.000 22.250 0.000) 22.250 11.355 ( -0.000 -6.652 0.000) 6.652 11.367 ( 0.000 19.106 0.000) 19.106 12.333 ( -0.000 -13.359 0.000) 13.359 12.346 ( -0.000 -13.405 0.000) 13.405 12.532 ( 0.000 12.609 0.000) 12.609 13.540 ( -0.000 -1.924 0.000) 1.924 13.893 ( 0.000 11.873 0.000) 11.873 13.911 ( -0.000 -11.165 0.000) 11.165 14.738 ( -0.000 -4.409 0.000) 4.409 14.911 ( 0.000 7.563 0.000) 7.563 16.391 ( -0.000 -26.374 0.000) 26.374 16.534 ( -0.000 -8.552 0.000) 8.552 18.754 ( 0.000 8.760 0.000) 8.760 19.666 ( -0.000 -3.399 0.000) 3.399 21.776 ( 0.000 1.932 0.000) 1.932 22.650 ( -0.000 -6.187 0.000) 6.187 24.294 ( 0.000 7.224 0.000) 7.224 24.365 ( -0.000 -5.585 0.000) 5.585 25.179 ( 0.000 5.031 0.000) 5.031 26.378 ( 0.000 10.696 0.000) 10.696 26.524 ( -0.000 -4.377 0.000) 4.377 26.947 ( 0.000 9.082 0.000) 9.082 27.106 ( -0.000 -7.084 0.000) 7.084 30.236 ( -0.000 -17.962 0.000) 17.962 31.601 ( -0.000 -0.317 0.000) 0.317 32.759 ( 0.000 23.128 0.000) 23.128 ======================= Grid point 36 (25/216) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 37.659 -0.000 0.000) 37.659 3.335 ( 50.554 -0.000 0.000) 50.554 6.297 ( 93.687 -0.000 0.000) 93.687 7.643 ( -8.537 0.000 0.000) 8.537 8.264 ( 8.083 -0.000 0.000) 8.083 9.294 ( -6.902 0.000 0.000) 6.902 10.155 ( -28.286 0.000 0.000) 28.286 10.297 ( -23.028 0.000 0.000) 23.028 10.692 ( 12.159 -0.000 0.000) 12.159 10.744 ( 12.416 -0.000 0.000) 12.416 10.985 ( 0.704 -0.000 0.000) 0.704 11.466 ( -23.214 0.000 0.000) 23.214 12.101 ( -6.325 0.000 0.000) 6.325 12.319 ( -3.708 0.000 0.000) 3.708 12.980 ( -2.216 0.000 0.000) 2.216 13.258 ( 2.298 -0.000 0.000) 2.298 13.592 ( 23.893 -0.000 0.000) 23.893 14.021 ( 8.416 -0.000 0.000) 8.416 14.541 ( 0.888 -0.000 0.000) 0.888 14.940 ( -25.268 0.000 0.000) 25.268 16.053 ( -29.193 0.000 0.000) 29.193 18.074 ( 8.760 -0.000 0.000) 8.760 18.096 ( 2.358 -0.000 0.000) 2.358 19.499 ( -11.240 0.000 0.000) 11.240 21.189 ( -4.249 0.000 0.000) 4.249 22.445 ( -3.782 0.000 0.000) 3.782 23.931 ( -0.931 0.000 0.000) 0.931 24.944 ( 1.587 -0.000 0.000) 1.587 25.243 ( 2.273 -0.000 0.000) 2.273 25.638 ( -2.475 0.000 0.000) 2.475 25.942 ( 5.049 -0.000 0.000) 5.049 26.498 ( -7.364 0.000 0.000) 7.364 27.413 ( 12.777 -0.000 0.000) 12.777 28.864 ( 20.252 -0.000 0.000) 20.252 31.735 ( -1.718 0.000 0.000) 1.718 35.549 ( -7.659 0.000 0.000) 7.659 ======================= Grid point 37 (26/216) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( 27.643 -35.685 0.000) 45.140 3.989 ( 44.829 -20.246 0.000) 49.188 6.893 ( 50.857 21.700 0.000) 55.293 7.853 ( 26.064 -16.648 0.000) 30.927 8.282 ( -5.304 -0.485 0.000) 5.326 9.203 ( 1.139 9.223 0.000) 9.293 9.723 ( -19.664 7.252 0.000) 20.958 9.946 ( -19.163 17.275 0.000) 25.800 10.775 ( 2.734 -0.353 0.000) 2.757 10.942 ( 1.635 -4.858 0.000) 5.125 11.083 ( 8.308 -5.286 0.000) 9.847 11.336 ( -15.673 -9.286 0.000) 18.217 11.946 ( -3.812 9.408 0.000) 10.151 12.268 ( -0.864 2.155 0.000) 2.322 13.000 ( -2.090 -7.204 0.000) 7.501 13.379 ( 2.601 -9.804 0.000) 10.144 13.835 ( 14.887 3.655 0.000) 15.329 14.095 ( 1.701 -1.251 0.000) 2.111 14.207 ( -7.375 17.442 0.000) 18.937 15.009 ( -11.878 -18.507 0.000) 21.991 15.741 ( -27.977 1.969 0.000) 28.046 17.457 ( 1.841 39.008 0.000) 39.051 18.733 ( 6.392 -30.148 0.000) 30.819 19.371 ( -10.972 2.048 0.000) 11.162 21.191 ( -4.127 -4.722 0.000) 6.272 22.386 ( -1.342 3.543 0.000) 3.788 23.926 ( -0.792 -0.592 0.000) 0.989 25.056 ( 2.938 -5.836 0.000) 6.534 25.189 ( 1.679 2.166 0.000) 2.740 25.647 ( -3.787 -2.795 0.000) 4.707 26.081 ( 2.443 -9.420 0.000) 9.731 26.425 ( -6.902 0.048 0.000) 6.902 27.599 ( 12.035 -7.294 0.000) 14.073 28.985 ( 17.285 7.901 0.000) 19.005 31.736 ( -2.484 -2.027 0.000) 3.206 35.331 ( -3.949 16.080 0.000) 16.558 ======================= Grid point 38 (27/216) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( 26.060 -41.614 0.000) 49.101 4.909 ( 31.618 -43.099 0.000) 53.453 6.806 ( 19.894 21.699 0.000) 29.438 7.948 ( 6.089 29.764 0.000) 30.380 8.319 ( -16.237 -8.765 0.000) 18.452 9.227 ( 7.979 7.562 0.000) 10.993 9.404 ( 1.777 11.235 0.000) 11.375 9.657 ( 5.979 -2.596 0.000) 6.518 10.768 ( -3.709 -0.958 0.000) 3.831 10.994 ( -4.163 -2.460 0.000) 4.835 11.197 ( -1.410 -7.522 0.000) 7.653 11.401 ( -4.133 -3.461 0.000) 5.391 11.789 ( 3.486 6.914 0.000) 7.743 12.256 ( 2.598 0.053 0.000) 2.599 13.166 ( -10.142 -10.051 0.000) 14.279 13.438 ( -0.167 12.834 0.000) 12.835 13.663 ( -2.229 -7.158 0.000) 7.497 14.041 ( 0.498 8.155 0.000) 8.170 14.241 ( 8.171 -5.743 0.000) 9.988 15.177 ( -6.118 -10.008 0.000) 11.730 15.488 ( -19.962 -2.060 0.000) 20.068 16.817 ( -2.984 33.931 0.000) 34.062 19.185 ( -3.104 -6.512 0.000) 7.215 19.254 ( -0.513 -8.896 0.000) 8.910 21.267 ( -4.634 -9.363 0.000) 10.447 22.315 ( 1.697 4.375 0.000) 4.693 23.943 ( -0.811 -2.469 0.000) 2.599 24.993 ( 4.489 10.484 0.000) 11.405 25.413 ( -0.412 -18.979 0.000) 18.983 25.645 ( -5.359 -3.082 0.000) 6.182 26.255 ( 0.385 -8.309 0.000) 8.318 26.371 ( -5.040 -1.112 0.000) 5.161 27.881 ( 10.638 -11.201 0.000) 15.448 28.945 ( 13.153 12.992 0.000) 18.487 31.742 ( -4.517 -2.331 0.000) 5.082 34.973 ( 0.484 22.796 0.000) 22.801 ======================= Grid point 39 (28/216) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.749 ( 24.314 -42.490 0.000) 48.955 5.973 ( 25.709 -41.830 0.000) 49.099 6.643 ( 5.212 9.590 0.000) 10.915 7.342 ( -3.337 35.194 0.000) 35.352 8.195 ( -22.428 2.910 0.000) 22.616 8.590 ( -10.707 30.873 0.000) 32.677 9.529 ( -1.132 3.580 0.000) 3.754 10.064 ( 30.385 -14.440 0.000) 33.642 10.763 ( 5.108 4.612 0.000) 6.882 10.955 ( -8.674 -1.071 0.000) 8.740 11.227 ( -4.480 4.121 0.000) 6.087 11.464 ( -4.543 -14.426 0.000) 15.124 11.755 ( 7.821 5.397 0.000) 9.502 12.303 ( 4.869 -0.273 0.000) 4.877 12.852 ( -18.924 8.782 0.000) 20.863 13.581 ( 5.091 -3.991 0.000) 6.469 13.806 ( 4.055 -6.490 0.000) 7.653 13.864 ( -4.123 5.331 0.000) 6.739 14.380 ( 3.525 -3.917 0.000) 5.269 15.250 ( -5.225 -7.701 0.000) 9.306 15.446 ( -1.451 -3.332 0.000) 3.634 16.262 ( -9.920 22.430 0.000) 24.526 19.069 ( -6.662 3.357 0.000) 7.460 19.501 ( 3.598 -7.721 0.000) 8.518 21.424 ( -3.813 -13.464 0.000) 13.994 22.280 ( 3.877 2.797 0.000) 4.780 23.994 ( -0.816 -4.317 0.000) 4.393 24.855 ( 3.532 10.011 0.000) 10.616 25.535 ( -6.456 0.226 0.000) 6.460 25.846 ( 0.002 -21.951 0.000) 21.951 26.339 ( -2.269 -3.217 0.000) 3.936 26.403 ( -0.535 -5.425 0.000) 5.452 28.098 ( 6.507 0.312 0.000) 6.515 28.891 ( 11.214 2.690 0.000) 11.532 31.720 ( -6.740 -1.569 0.000) 6.921 34.568 ( 2.259 25.924 0.000) 26.023 ======================= Grid point 40 (29/216) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.356 ( 14.156 17.630 0.000) 22.610 6.450 ( -0.239 28.545 0.000) 28.546 6.715 ( 15.239 -43.936 0.000) 46.504 7.314 ( 1.367 -44.031 0.000) 44.052 7.530 ( -12.490 43.080 0.000) 44.854 8.357 ( -11.208 -7.957 0.000) 13.745 9.391 ( -6.264 6.241 0.000) 8.843 10.401 ( 19.581 12.477 0.000) 23.219 10.641 ( 2.668 6.722 0.000) 7.233 10.782 ( -9.002 14.078 0.000) 16.710 11.163 ( -0.301 -2.283 0.000) 2.303 11.681 ( -3.415 -12.503 0.000) 12.961 11.726 ( -0.139 2.947 0.000) 2.950 12.420 ( 9.596 -10.381 0.000) 14.137 12.700 ( -12.220 -5.245 0.000) 13.299 13.481 ( 0.779 17.791 0.000) 17.808 13.564 ( -0.943 12.064 0.000) 12.100 14.239 ( 6.124 -24.375 0.000) 25.133 14.435 ( -0.071 0.287 0.000) 0.296 15.306 ( 5.244 4.464 0.000) 6.887 15.569 ( 1.299 -10.787 0.000) 10.865 15.891 ( -13.633 4.477 0.000) 14.349 18.972 ( -3.232 2.236 0.000) 3.930 19.595 ( 1.144 -1.565 0.000) 1.938 21.627 ( -1.757 -12.075 0.000) 12.202 22.301 ( 3.528 -1.146 0.000) 3.710 24.072 ( -0.602 -5.424 0.000) 5.457 24.717 ( 2.007 9.329 0.000) 9.542 25.438 ( -5.234 3.282 0.000) 6.178 26.211 ( 1.087 -16.780 0.000) 16.815 26.407 ( -1.047 -8.806 0.000) 8.868 26.481 ( 0.036 -3.551 0.000) 3.552 27.939 ( 0.974 19.458 0.000) 19.482 29.137 ( 9.844 -16.378 0.000) 19.108 31.665 ( -7.030 -0.174 0.000) 7.032 34.126 ( 1.629 27.650 0.000) 27.697 ======================= Grid point 41 (30/216) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.697 ( 0.000 46.008 0.000) 46.008 6.310 ( 0.000 3.842 0.000) 3.842 6.557 ( 0.000 53.759 0.000) 53.759 7.627 ( -0.000 -47.547 0.000) 47.547 8.174 ( -0.000 -46.865 0.000) 46.865 8.462 ( -0.000 -7.632 0.000) 7.632 9.185 ( 0.000 15.759 0.000) 15.759 10.047 ( 0.000 26.577 0.000) 26.577 10.377 ( 0.000 20.674 0.000) 20.674 10.689 ( -0.000 -0.897 0.000) 0.897 11.218 ( -0.000 -2.356 0.000) 2.356 11.700 ( -0.000 -2.293 0.000) 2.293 11.869 ( -0.000 -12.484 0.000) 12.484 12.496 ( 0.000 16.004 0.000) 16.004 12.946 ( -0.000 -32.550 0.000) 32.550 13.094 ( 0.000 20.999 0.000) 20.999 13.479 ( 0.000 1.004 0.000) 1.004 14.331 ( 0.000 10.264 0.000) 10.264 14.661 ( -0.000 -15.577 0.000) 15.577 15.205 ( 0.000 9.984 0.000) 9.984 15.683 ( -0.000 -9.344 0.000) 9.344 15.999 ( -0.000 -18.107 0.000) 18.107 18.920 ( 0.000 2.247 0.000) 2.247 19.611 ( -0.000 -0.381 0.000) 0.381 21.768 ( -0.000 -4.877 0.000) 4.877 22.389 ( -0.000 -6.595 0.000) 6.595 24.166 ( -0.000 -5.841 0.000) 5.841 24.571 ( 0.000 8.780 0.000) 8.780 25.342 ( 0.000 4.348 0.000) 4.348 26.374 ( -0.000 -5.030 0.000) 5.030 26.521 ( -0.000 -0.900 0.000) 0.900 26.666 ( -0.000 -17.553 0.000) 17.553 27.557 ( 0.000 23.168 0.000) 23.168 29.536 ( -0.000 -21.541 0.000) 21.541 31.612 ( 0.000 0.857 0.000) 0.857 33.654 ( 0.000 27.931 0.000) 27.931 ======================= Grid point 48 (31/216) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 18.136 -0.000 0.000) 18.136 4.241 ( 40.038 -0.000 0.000) 40.038 7.645 ( 10.009 -0.000 0.000) 10.009 7.882 ( 46.899 -0.000 0.000) 46.899 8.254 ( 11.398 -0.000 0.000) 11.398 9.431 ( 19.466 -0.000 0.000) 19.466 9.455 ( -38.408 0.000 0.000) 38.408 9.916 ( -15.633 0.000 0.000) 15.633 10.806 ( 0.500 -0.000 0.000) 0.500 10.860 ( -13.682 0.000 0.000) 13.682 11.113 ( -0.971 0.000 0.000) 0.971 11.181 ( 13.935 -0.000 0.000) 13.935 11.996 ( -2.510 0.000 0.000) 2.510 12.283 ( 0.022 -0.000 0.000) 0.022 12.870 ( -9.989 0.000 0.000) 9.989 13.307 ( 2.268 -0.000 0.000) 2.268 13.974 ( 12.016 -0.000 0.000) 12.016 14.180 ( 10.267 -0.000 0.000) 10.267 14.441 ( -23.759 0.000 0.000) 23.759 14.543 ( -0.910 0.000 0.000) 0.910 15.473 ( -27.316 0.000 0.000) 27.316 18.135 ( 1.540 -0.000 0.000) 1.540 18.219 ( 5.754 -0.000 0.000) 5.754 19.285 ( -9.796 0.000 0.000) 9.796 21.123 ( -2.385 0.000 0.000) 2.385 22.406 ( -0.557 0.000 0.000) 0.557 23.917 ( -0.535 0.000 0.000) 0.535 24.972 ( 1.133 -0.000 0.000) 1.133 25.289 ( 2.298 -0.000 0.000) 2.298 25.593 ( -1.905 0.000 0.000) 1.905 26.025 ( 3.220 -0.000 0.000) 3.220 26.359 ( -6.268 0.000 0.000) 6.268 27.639 ( 9.549 -0.000 0.000) 9.549 29.221 ( 15.024 -0.000 0.000) 15.024 31.703 ( -1.414 0.000 0.000) 1.414 35.407 ( -6.266 0.000 0.000) 6.266 ======================= Grid point 49 (32/216) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.174 ( 9.495 -35.911 0.000) 37.145 4.752 ( 30.445 -18.365 0.000) 35.555 7.502 ( 25.186 26.810 0.000) 36.784 7.990 ( -16.497 -3.877 0.000) 16.946 8.499 ( 5.254 21.456 0.000) 22.090 9.244 ( 9.392 -15.781 0.000) 18.364 9.591 ( 3.541 9.137 0.000) 9.799 9.765 ( 9.525 1.753 0.000) 9.685 10.609 ( -20.550 0.388 0.000) 20.553 10.876 ( -3.277 -4.815 0.000) 5.825 11.148 ( 3.354 -0.901 0.000) 3.473 11.342 ( 4.582 -2.966 0.000) 5.458 11.965 ( 7.868 4.343 0.000) 8.986 12.285 ( 2.017 0.345 0.000) 2.046 12.829 ( -16.317 -10.060 0.000) 19.169 13.424 ( 1.725 -10.014 0.000) 10.162 13.826 ( -9.212 26.467 0.000) 28.025 14.094 ( 0.278 -1.717 0.000) 1.739 14.309 ( 11.339 1.339 0.000) 11.418 14.848 ( -5.231 -22.185 0.000) 22.793 15.230 ( -20.983 -0.408 0.000) 20.987 17.491 ( 1.360 41.981 0.000) 42.003 18.832 ( 3.557 -31.332 0.000) 31.533 19.182 ( -7.476 1.831 0.000) 7.697 21.128 ( -2.161 -3.130 0.000) 3.804 22.385 ( 0.634 2.226 0.000) 2.314 23.914 ( -0.387 -0.449 0.000) 0.592 25.097 ( 1.209 -11.855 0.000) 11.916 25.223 ( 1.795 7.556 0.000) 7.767 25.583 ( -2.528 -0.403 0.000) 2.559 26.127 ( 1.847 -7.496 0.000) 7.720 26.309 ( -4.527 -0.533 0.000) 4.559 27.793 ( 7.104 -8.110 0.000) 10.781 29.266 ( 10.399 9.201 0.000) 13.885 31.694 ( -1.651 -0.285 0.000) 1.676 35.252 ( -3.366 11.516 0.000) 11.997 ======================= Grid point 50 (33/216) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.030 ( 4.006 -52.701 0.000) 52.853 5.448 ( 17.156 -34.669 0.000) 38.682 7.238 ( 22.010 31.957 0.000) 38.803 7.832 ( -10.535 22.251 0.000) 24.619 7.965 ( -17.263 4.328 0.000) 17.798 9.084 ( -5.874 29.157 0.000) 29.742 9.703 ( 11.121 9.804 0.000) 14.826 10.027 ( 19.220 -17.699 0.000) 26.128 10.571 ( -12.746 -17.227 0.000) 21.430 10.922 ( 2.117 -0.600 0.000) 2.200 11.187 ( -3.038 -2.043 0.000) 3.661 11.341 ( -1.243 1.460 0.000) 1.917 11.991 ( 12.148 7.297 0.000) 14.171 12.336 ( 5.979 -2.963 0.000) 6.673 12.759 ( -23.369 1.327 0.000) 23.407 13.492 ( 3.574 -1.039 0.000) 3.722 13.640 ( -1.256 -9.576 0.000) 9.658 14.037 ( -0.287 7.361 0.000) 7.366 14.382 ( 3.803 0.651 0.000) 3.858 15.069 ( -4.836 -5.407 0.000) 7.254 15.204 ( -6.191 -17.238 0.000) 18.316 16.789 ( -0.441 39.407 0.000) 39.409 19.073 ( -3.639 3.138 0.000) 4.805 19.307 ( 1.814 -19.153 0.000) 19.239 21.201 ( -1.811 -8.273 0.000) 8.469 22.352 ( 1.290 2.546 0.000) 2.854 23.932 ( -0.272 -2.214 0.000) 2.231 25.062 ( 2.108 10.573 0.000) 10.781 25.401 ( -0.461 -17.469 0.000) 17.475 25.563 ( -2.486 -2.599 0.000) 3.596 26.271 ( 0.939 -5.715 0.000) 5.792 26.298 ( -2.283 -3.538 0.000) 4.211 28.031 ( 4.077 -11.616 0.000) 12.311 29.134 ( 5.234 13.484 0.000) 14.464 31.675 ( -1.917 0.433 0.000) 1.965 34.966 ( -0.503 19.218 0.000) 19.224 ======================= Grid point 51 (34/216) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.956 ( -0.000 -50.187 0.000) 50.187 6.258 ( -0.000 -47.140 0.000) 47.140 6.822 ( 0.000 27.619 0.000) 27.619 7.231 ( 0.000 31.574 0.000) 31.574 7.928 ( 0.000 1.914 0.000) 1.914 8.475 ( 0.000 32.620 0.000) 32.620 9.516 ( 0.000 11.662 0.000) 11.662 10.413 ( -0.000 -13.232 0.000) 13.232 10.818 ( -0.000 -10.588 0.000) 10.588 10.884 ( 0.000 9.095 0.000) 9.095 11.113 ( 0.000 3.500 0.000) 3.500 11.425 ( -0.000 -12.165 0.000) 12.165 11.884 ( 0.000 11.194 0.000) 11.194 12.446 ( 0.000 9.120 0.000) 9.120 12.523 ( -0.000 -8.221 0.000) 8.221 13.666 ( 0.000 5.160 0.000) 5.160 13.802 ( -0.000 -25.575 0.000) 25.575 13.852 ( 0.000 15.218 0.000) 15.218 14.398 ( -0.000 -2.584 0.000) 2.584 15.186 ( -0.000 -11.036 0.000) 11.036 15.442 ( -0.000 -11.421 0.000) 11.421 16.166 ( 0.000 30.953 0.000) 30.953 19.000 ( 0.000 3.018 0.000) 3.018 19.536 ( -0.000 -7.170 0.000) 7.170 21.385 ( -0.000 -13.585 0.000) 13.585 22.323 ( 0.000 1.550 0.000) 1.550 23.986 ( -0.000 -4.129 0.000) 4.129 24.894 ( 0.000 10.074 0.000) 10.074 25.465 ( 0.000 2.326 0.000) 2.326 25.842 ( -0.000 -23.426 0.000) 23.426 26.317 ( -0.000 -2.897 0.000) 2.897 26.401 ( -0.000 -5.810 0.000) 5.810 28.166 ( 0.000 2.384 0.000) 2.384 29.009 ( 0.000 0.034 0.000) 0.034 31.648 ( 0.000 1.074 0.000) 1.074 34.586 ( 0.000 24.625 0.000) 24.625 ======================= Grid point 61 (35/216) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.911 ( 3.857 -0.000 0.000) 3.857 4.832 ( 17.181 -0.000 0.000) 17.181 7.814 ( -9.840 0.000 0.000) 9.840 8.034 ( 27.965 -0.000 0.000) 27.965 8.701 ( -36.821 0.000 0.000) 36.821 9.106 ( 31.143 -0.000 0.000) 31.143 9.703 ( -5.540 0.000 0.000) 5.540 9.910 ( 24.403 -0.000 0.000) 24.403 10.426 ( -22.004 0.000 0.000) 22.004 10.804 ( -0.146 0.000 0.000) 0.146 11.162 ( -0.567 0.000 0.000) 0.567 11.378 ( 5.087 -0.000 0.000) 5.087 12.097 ( 13.614 -0.000 0.000) 13.614 12.303 ( 1.189 -0.000 0.000) 1.189 12.552 ( -20.793 0.000 0.000) 20.793 13.339 ( 0.874 -0.000 0.000) 0.874 14.080 ( 1.630 -0.000 0.000) 1.630 14.096 ( -9.277 0.000 0.000) 9.277 14.396 ( 8.681 -0.000 0.000) 8.681 14.504 ( -3.105 0.000 0.000) 3.105 15.072 ( -11.336 0.000 0.000) 11.336 18.156 ( 0.546 -0.000 0.000) 0.546 18.296 ( 2.038 -0.000 0.000) 2.038 19.142 ( -4.041 0.000 0.000) 4.041 21.093 ( -0.709 0.000 0.000) 0.709 22.406 ( 0.199 -0.000 0.000) 0.199 23.910 ( -0.177 0.000 0.000) 0.177 24.987 ( 0.391 -0.000 0.000) 0.391 25.325 ( 1.072 -0.000 0.000) 1.072 25.567 ( -0.700 0.000 0.000) 0.700 26.067 ( 1.089 -0.000 0.000) 1.089 26.268 ( -2.563 0.000 0.000) 2.563 27.771 ( 3.531 -0.000 0.000) 3.531 29.428 ( 5.544 -0.000 0.000) 5.544 31.683 ( -0.554 0.000 0.000) 0.554 35.318 ( -2.445 0.000 0.000) 2.445 ======================= Grid point 62 (36/216) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.254 ( -0.000 -35.754 0.000) 35.754 5.078 ( -0.000 -18.296 0.000) 18.296 7.789 ( -0.000 -3.010 0.000) 3.010 8.003 ( 0.000 35.086 0.000) 35.086 8.153 ( 0.000 16.230 0.000) 16.230 9.396 ( 0.000 5.387 0.000) 5.387 9.719 ( -0.000 -14.712 0.000) 14.712 10.118 ( 0.000 15.072 0.000) 15.072 10.190 ( -0.000 -13.183 0.000) 13.183 10.870 ( -0.000 -5.678 0.000) 5.678 11.152 ( -0.000 -0.117 0.000) 0.117 11.384 ( 0.000 2.349 0.000) 2.349 12.175 ( 0.000 4.434 0.000) 4.434 12.321 ( -0.000 -1.752 0.000) 1.752 12.504 ( -0.000 -10.339 0.000) 10.339 13.442 ( -0.000 -10.383 0.000) 10.383 13.730 ( 0.000 22.876 0.000) 22.876 14.095 ( 0.000 0.318 0.000) 0.318 14.438 ( 0.000 2.119 0.000) 2.119 14.792 ( -0.000 -24.468 0.000) 24.468 15.010 ( 0.000 0.113 0.000) 0.113 17.505 ( 0.000 42.687 0.000) 42.687 18.869 ( -0.000 -32.070 0.000) 32.070 19.103 ( 0.000 2.096 0.000) 2.096 21.107 ( -0.000 -2.377 0.000) 2.377 22.393 ( 0.000 1.581 0.000) 1.581 23.910 ( -0.000 -0.401 0.000) 0.401 25.108 ( -0.000 -13.238 0.000) 13.238 25.245 ( 0.000 8.691 0.000) 8.691 25.556 ( 0.000 0.824 0.000) 0.824 26.146 ( -0.000 -7.346 0.000) 7.346 26.261 ( -0.000 -0.687 0.000) 0.687 27.864 ( -0.000 -8.468 0.000) 8.468 29.371 ( 0.000 9.463 0.000) 9.463 31.677 ( 0.000 0.462 0.000) 0.462 35.217 ( 0.000 10.240 0.000) 10.240 ======================= Grid point 125 (37/216) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.000 0.000 58.316) 58.316 1.360 ( 0.000 0.000 64.134) 64.134 2.341 ( 0.000 0.000 109.824) 109.824 7.571 ( 0.000 0.000 -6.414) 6.414 8.178 ( 0.000 0.000 -12.650) 12.650 9.183 ( 0.000 0.000 -37.806) 37.806 9.495 ( 0.000 0.000 -40.579) 40.579 11.024 ( 0.000 0.000 24.992) 24.992 11.227 ( 0.000 0.000 -6.167) 6.167 11.237 ( 0.000 0.000 15.364) 15.364 11.396 ( 0.000 0.000 -19.483) 19.483 11.851 ( 0.000 0.000 9.144) 9.144 12.098 ( 0.000 0.000 -29.105) 29.105 12.232 ( 0.000 0.000 -11.600) 11.600 13.073 ( 0.000 0.000 17.216) 17.216 13.235 ( 0.000 0.000 4.134) 4.134 13.300 ( 0.000 0.000 3.442) 3.442 13.985 ( 0.000 0.000 6.870) 6.870 14.533 ( 0.000 0.000 0.507) 0.507 15.914 ( 0.000 0.000 -2.611) 2.611 16.355 ( 0.000 0.000 -1.673) 1.673 17.940 ( 0.000 0.000 26.713) 26.713 18.059 ( 0.000 0.000 24.394) 24.394 19.460 ( 0.000 0.000 -35.867) 35.867 21.677 ( 0.000 0.000 19.515) 19.515 22.788 ( 0.000 0.000 -0.779) 0.779 24.624 ( 0.000 0.000 -3.018) 3.018 24.833 ( 0.000 0.000 -4.332) 4.332 25.178 ( 0.000 0.000 1.145) 1.145 25.581 ( 0.000 0.000 -0.959) 0.959 26.829 ( 0.000 0.000 -0.939) 0.939 26.937 ( 0.000 0.000 11.244) 11.244 27.032 ( 0.000 0.000 -1.967) 1.967 30.420 ( 0.000 0.000 -6.417) 6.417 31.743 ( 0.000 0.000 -1.097) 1.097 31.787 ( 0.000 0.000 -1.112) 1.112 ======================= Grid point 126 (38/216) ======================= q-point: ( 0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 34.606 -33.192 40.716) 62.905 1.919 ( 15.962 -32.531 55.995) 66.697 2.918 ( 29.549 -58.308 74.661) 99.234 7.648 ( 3.615 -6.184 -5.621) 9.105 8.165 ( -11.175 -4.678 -14.937) 19.232 9.105 ( 8.985 10.450 -33.316) 36.054 9.590 ( 0.036 -11.014 -33.360) 35.131 10.590 ( -7.809 24.958 23.019) 34.839 11.060 ( -2.169 19.165 -12.644) 23.062 11.228 ( -9.952 10.127 -4.068) 14.770 11.414 ( 4.700 -2.457 5.371) 7.548 11.807 ( -7.290 -2.123 5.653) 9.467 11.949 ( 13.777 16.050 -4.552) 21.636 12.528 ( 3.813 -12.790 -21.260) 25.102 12.914 ( -16.245 -1.267 6.991) 17.730 13.215 ( 6.999 1.952 17.224) 18.694 13.346 ( 2.354 -0.490 2.151) 3.226 13.799 ( -3.655 -1.507 8.870) 9.711 14.784 ( -14.386 -12.954 -6.495) 20.419 15.765 ( -2.722 9.314 -4.167) 10.561 16.373 ( 6.855 7.032 2.115) 10.045 17.741 ( 0.159 15.232 23.932) 28.369 18.334 ( 10.429 -16.930 23.401) 30.708 19.457 ( -2.108 0.387 -35.317) 35.382 21.747 ( -3.747 -7.107 14.467) 16.549 22.762 ( -4.660 0.423 -0.315) 4.690 24.518 ( -10.337 9.345 11.941) 18.351 24.758 ( 8.993 20.684 11.638) 25.380 24.888 ( 3.332 -4.124 -3.705) 6.469 25.747 ( -1.254 -8.974 -6.015) 10.875 26.753 ( -5.278 3.951 0.581) 6.619 26.911 ( -7.163 -1.062 9.720) 12.121 27.068 ( -1.031 -8.934 2.797) 9.418 29.570 (-111.756 -29.894 20.072) 117.414 31.830 ( 0.532 -4.874 -1.506) 5.129 32.823 ( 130.251 28.395 -41.104) 139.503 ======================= Grid point 127 (39/216) ======================= q-point: ( 0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 26.631 -44.015 29.419) 59.262 2.825 ( 33.535 -42.314 27.232) 60.470 4.463 ( 37.828 -72.792 44.105) 93.139 7.760 ( 4.617 0.981 -6.412) 7.962 8.126 ( -15.769 -6.835 -17.582) 24.587 9.102 ( 6.559 -0.882 -25.318) 26.169 9.737 ( 2.675 5.185 -30.574) 31.126 10.207 ( -6.847 3.601 20.985) 22.366 10.586 ( -4.220 25.403 -11.500) 28.202 10.979 ( -3.127 11.302 -4.048) 12.405 11.328 ( 1.407 16.253 14.657) 21.931 11.737 ( -2.521 3.608 -3.468) 5.604 11.961 ( 8.573 -4.582 -0.412) 9.730 12.516 ( -10.087 3.455 0.156) 10.663 12.972 ( -3.799 0.026 3.486) 5.156 13.168 ( -0.428 -5.176 -14.763) 15.650 13.550 ( 8.608 -11.196 2.072) 14.274 13.844 ( 1.787 -2.265 5.920) 6.585 14.727 ( -15.719 -1.785 4.414) 16.425 15.511 ( 4.731 22.197 -2.827) 22.870 16.294 ( -12.370 -1.776 1.001) 12.536 17.449 ( -1.421 17.733 21.572) 27.962 18.746 ( 15.410 -14.263 19.949) 28.963 19.402 ( -3.707 2.071 -30.947) 31.237 21.811 ( -5.472 -6.085 15.234) 17.293 22.676 ( -9.270 1.672 0.945) 9.467 24.295 ( -5.803 4.055 17.173) 18.575 24.639 ( 7.152 8.129 0.568) 10.842 25.049 ( 8.669 -7.268 -4.232) 12.078 25.867 ( -3.121 -8.201 -5.886) 10.565 26.653 ( -4.659 1.755 0.916) 5.062 26.861 ( -7.569 -1.187 8.830) 11.690 27.260 ( 8.375 -8.343 3.067) 12.213 29.204 ( -62.303 -21.019 7.953) 66.233 31.954 ( -0.414 -9.071 -1.875) 9.272 33.238 ( 74.986 33.004 -23.686) 85.283 ======================= Grid point 128 (40/216) ======================= q-point: ( 0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 32.121 -39.591 12.969) 52.606 3.899 ( 26.841 -48.968 17.034) 58.382 5.965 ( 28.477 -57.236 29.277) 70.314 7.705 ( -2.551 3.911 -3.060) 5.582 8.112 ( -3.564 -5.386 -16.423) 17.647 9.111 ( -4.053 12.615 -15.881) 20.682 9.426 ( -13.151 9.317 -20.574) 26.135 10.136 ( -0.039 7.755 6.578) 10.169 10.463 ( 6.849 -3.774 -0.175) 7.822 10.774 ( 4.981 9.953 4.538) 12.019 11.071 ( -2.335 7.895 5.525) 9.915 11.632 ( 1.468 8.283 -4.885) 9.727 12.146 ( 2.640 -6.573 -5.697) 9.090 12.382 ( -6.270 1.110 -2.376) 6.796 12.775 ( 1.271 11.847 6.617) 13.629 13.348 ( -0.230 -8.803 -15.627) 17.937 13.794 ( 0.917 -9.899 -1.496) 10.053 13.902 ( 6.408 0.833 -1.450) 6.622 14.578 ( -19.249 -1.763 9.677) 21.617 15.148 ( 6.557 24.565 2.831) 25.582 16.161 ( -18.836 -0.033 -4.565) 19.381 17.133 ( -0.868 16.664 19.247) 25.474 19.061 ( 11.528 -4.171 8.718) 15.043 19.355 ( -1.807 -2.346 -17.701) 17.947 21.868 ( -3.834 -6.256 16.727) 18.266 22.529 ( -11.774 2.930 3.370) 12.592 24.240 ( -3.526 -1.908 11.066) 11.769 24.573 ( 4.950 6.722 0.405) 8.357 25.294 ( 13.640 -7.945 -5.083) 16.583 25.969 ( -6.064 -8.573 -7.603) 12.964 26.596 ( -2.151 1.138 1.748) 2.996 26.795 ( -7.974 0.054 8.899) 11.949 27.508 ( 15.063 -6.988 3.733) 17.020 28.970 ( -41.698 -10.378 3.616) 43.122 32.119 ( -1.822 -11.029 -2.333) 11.419 33.311 ( 46.600 26.403 -13.789) 55.307 ======================= Grid point 129 (41/216) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.727 ( 27.005 -32.245 9.445) 43.107 5.013 ( 24.282 -49.671 5.339) 55.546 6.619 ( 6.489 5.310 11.370) 14.128 7.694 ( -23.287 -13.174 -15.778) 31.061 8.383 ( 13.947 -4.428 1.526) 14.713 8.646 ( 2.838 7.167 1.509) 7.855 9.285 ( -10.880 0.654 -10.669) 15.252 10.120 ( 2.936 0.784 0.425) 3.068 10.332 ( 4.662 13.437 10.698) 17.797 10.829 ( 8.909 0.979 6.688) 11.183 11.051 ( -5.051 -3.705 -5.116) 8.088 11.522 ( 1.248 3.344 -7.209) 8.045 12.139 ( -5.166 2.942 -5.149) 7.865 12.355 ( -0.103 1.098 -2.842) 3.048 12.774 ( 8.098 -6.329 -1.962) 10.463 13.429 ( 0.363 -1.238 -4.535) 4.715 13.779 ( 0.337 13.534 -2.420) 13.753 13.939 ( -2.936 -2.966 -11.718) 12.439 14.504 ( -12.419 -9.586 11.871) 19.673 14.845 ( 5.291 16.509 6.524) 18.523 15.934 ( -17.449 4.521 -9.537) 20.393 16.888 ( 0.633 11.338 16.412) 19.957 19.092 ( 1.087 3.809 -10.462) 11.187 19.472 ( 4.647 -5.917 3.397) 8.255 21.953 ( -0.634 -6.141 16.620) 17.730 22.359 ( -10.818 3.518 6.879) 13.294 24.268 ( -2.660 -4.482 7.311) 8.979 24.504 ( 3.661 6.186 1.431) 7.330 25.570 ( 16.338 -6.358 -6.581) 18.726 26.029 ( -9.735 -7.028 -10.047) 15.656 26.567 ( -0.221 1.029 3.901) 4.041 26.707 ( -7.257 1.097 9.315) 11.859 27.790 ( 19.644 -5.698 4.110) 20.862 28.726 ( -31.641 -3.221 2.783) 31.926 32.280 ( -2.801 -9.811 -2.759) 10.570 33.287 ( 27.461 18.050 -9.401) 34.181 ======================= Grid point 130 (42/216) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.462 ( 17.886 -26.735 7.463) 33.021 5.909 ( 7.316 -14.097 3.359) 16.234 6.415 ( 5.447 -3.923 1.703) 6.925 7.273 ( -20.156 31.547 -24.354) 44.660 8.365 ( -3.872 -10.814 5.700) 12.823 8.916 ( -4.653 3.023 1.673) 5.796 9.429 ( 15.878 -18.499 10.211) 26.431 10.000 ( 3.983 11.776 1.393) 12.510 10.319 ( -1.970 -3.383 11.538) 12.184 10.856 ( 3.651 5.246 -0.053) 6.392 10.996 ( -0.768 -0.172 -1.718) 1.890 11.529 ( -2.797 -1.879 -10.869) 11.379 12.055 ( -3.412 0.778 -0.356) 3.518 12.312 ( 0.861 3.709 -3.395) 5.102 13.032 ( 1.886 -15.613 -7.804) 17.556 13.340 ( 0.649 14.840 -7.389) 16.590 13.602 ( 2.149 2.007 -0.096) 2.942 13.909 ( -2.937 1.694 -9.726) 10.301 14.576 ( -5.389 -6.095 21.240) 22.745 14.704 ( 3.554 5.238 -0.754) 6.375 15.725 ( -7.611 3.189 -14.794) 16.940 16.760 ( 0.500 4.072 14.486) 15.056 19.040 ( -0.275 1.762 -11.112) 11.254 19.577 ( 2.062 -2.009 5.190) 5.935 22.062 ( 3.022 -4.976 15.417) 16.479 22.204 ( -7.164 3.901 10.177) 13.043 24.326 ( -1.890 -4.152 5.125) 6.861 24.437 ( 2.250 4.537 2.667) 5.724 25.808 ( 14.052 -2.563 -8.407) 16.574 26.007 ( -11.431 -2.802 -11.569) 16.504 26.555 ( 0.639 0.579 7.326) 7.377 26.633 ( -3.481 0.686 8.550) 9.257 28.071 ( 18.317 -3.518 3.799) 19.034 28.471 ( -21.686 0.782 3.245) 21.941 32.383 ( -1.543 -4.194 -3.046) 5.408 33.252 ( 9.474 6.774 -7.631) 13.924 ======================= Grid point 137 (43/216) ======================= q-point: ( 0.09 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 38.326 -0.000 48.627) 61.915 1.996 ( 38.403 -0.000 56.095) 67.981 2.916 ( 72.642 -0.000 68.559) 99.886 7.655 ( 9.292 -0.000 -5.303) 10.699 7.994 ( -15.175 0.000 -18.245) 23.731 9.364 ( -8.453 0.000 -32.350) 33.436 9.430 ( 21.548 -0.000 -29.734) 36.721 10.833 ( -9.557 0.000 22.592) 24.530 11.012 ( -18.240 0.000 3.108) 18.503 11.170 ( -8.819 0.000 -0.655) 8.844 11.549 ( 6.375 -0.000 -28.137) 28.850 11.647 ( -13.597 0.000 6.370) 15.015 12.382 ( 19.608 -0.000 -14.912) 24.634 12.395 ( 9.534 -0.000 -10.948) 14.518 12.792 ( -14.164 0.000 6.325) 15.512 13.253 ( -8.331 0.000 9.897) 12.936 13.447 ( -26.665 0.000 22.087) 34.625 13.550 ( 18.354 -0.000 8.905) 20.400 14.525 ( -0.648 0.000 0.117) 0.658 15.685 ( -15.047 0.000 -3.792) 15.517 16.657 ( 6.801 -0.000 -10.349) 12.384 18.005 ( 6.116 -0.000 25.563) 26.285 18.162 ( 7.640 -0.000 20.954) 22.304 19.430 ( -2.976 0.000 -34.021) 34.151 21.627 ( -4.865 0.000 18.726) 19.348 22.709 ( -7.080 0.000 -0.570) 7.103 24.512 ( -10.232 0.000 13.949) 17.299 24.849 ( 1.614 -0.000 -3.767) 4.099 25.178 ( 0.091 -0.000 0.428) 0.438 25.563 ( -0.781 0.000 -2.176) 2.312 26.457 ( -38.879 0.000 32.872) 50.913 26.788 ( -3.539 0.000 2.803) 4.515 27.021 ( 7.738 -0.000 7.776) 10.970 28.527 ( -28.683 0.000 30.778) 42.071 31.783 ( -0.470 0.000 -0.742) 0.878 34.321 ( 81.784 -0.000 -81.944) 115.773 ======================= Grid point 138 (44/216) ======================= q-point: ( 0.18 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 37.757 -26.065 40.711) 61.338 2.644 ( 43.946 -28.826 35.265) 63.292 4.050 ( 77.123 -35.459 43.360) 95.318 7.768 ( 1.375 -0.668 -10.102) 10.217 7.908 ( -4.924 -6.535 -14.668) 16.796 9.201 ( -2.154 6.985 -28.367) 29.294 9.770 ( 18.652 -9.051 -26.018) 33.268 10.382 ( -12.807 23.813 12.040) 29.598 10.857 ( -15.582 11.962 4.452) 20.142 11.044 ( -7.366 4.693 -3.865) 9.551 11.420 ( -11.293 -2.863 -10.873) 15.937 11.693 ( 1.102 0.631 6.921) 7.037 12.210 ( 7.282 15.078 -2.536) 16.935 12.496 ( -9.418 5.502 3.263) 11.385 12.814 ( 7.971 -9.447 -12.308) 17.443 13.123 ( -7.456 -2.326 9.371) 12.200 13.394 ( -0.424 -9.452 5.995) 11.201 13.857 ( 9.234 -6.577 2.571) 11.625 14.532 ( -9.383 -2.324 1.151) 9.735 15.575 ( -15.363 -4.497 -6.603) 17.316 16.452 ( -1.864 19.887 0.534) 19.982 17.728 ( -1.293 20.296 23.882) 31.368 18.594 ( 12.921 -21.581 19.742) 31.976 19.386 ( -4.704 1.057 -31.412) 31.779 21.631 ( -7.250 -6.212 16.614) 19.161 22.616 ( -8.798 1.836 0.126) 8.988 24.327 ( -8.201 6.729 21.157) 23.668 24.880 ( 4.202 7.344 -1.263) 8.555 25.020 ( 7.849 -0.214 -1.399) 7.976 25.708 ( -2.259 -8.098 -6.470) 10.608 26.394 ( -23.217 -18.587 13.105) 32.500 26.756 ( -5.578 -1.122 5.564) 7.958 27.169 ( 9.608 -7.425 6.501) 13.773 28.520 ( -8.919 -10.337 11.385) 17.777 31.819 ( -1.105 -4.843 -0.580) 5.001 34.531 ( 46.767 35.512 -46.722) 75.041 ======================= Grid point 139 (45/216) ======================= q-point: ( 0.27 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 37.168 -39.240 22.908) 58.702 3.649 ( 44.694 -33.470 19.544) 59.159 5.430 ( 55.076 -44.849 31.583) 77.732 7.683 ( -10.966 2.225 -15.830) 19.385 8.086 ( 12.047 -6.018 -4.771) 14.287 9.089 ( -6.097 1.599 -22.816) 23.671 9.702 ( -9.429 26.223 -18.184) 33.274 10.148 ( -3.281 -0.768 10.631) 11.152 10.532 ( 3.869 5.244 0.527) 6.538 10.904 ( -2.811 5.364 -10.601) 12.209 11.270 ( -8.663 9.295 7.071) 14.541 11.651 ( -1.612 2.118 1.183) 2.912 12.170 ( 4.665 -0.901 -1.397) 4.953 12.327 ( -8.574 2.599 0.542) 8.976 12.892 ( -0.367 2.891 5.352) 6.094 13.248 ( 7.599 -7.453 -20.292) 22.914 13.586 ( -1.369 -11.634 4.308) 12.481 13.963 ( 6.397 -0.488 0.362) 6.426 14.418 ( -14.389 1.599 4.286) 15.098 15.470 ( -9.435 4.538 -6.277) 12.207 16.095 ( -7.146 14.387 4.214) 16.607 17.355 ( -7.911 17.133 20.890) 28.152 19.042 ( 13.060 -14.071 16.465) 25.291 19.306 ( -5.664 1.449 -25.559) 26.220 21.686 ( -6.740 -8.428 16.298) 19.547 22.477 ( -9.183 3.553 2.137) 10.076 24.198 ( -3.983 1.415 15.736) 16.294 24.765 ( 5.619 9.433 -1.230) 11.048 25.244 ( 9.495 -11.459 -3.804) 15.360 25.792 ( -4.095 -6.016 -5.901) 9.370 26.471 ( -12.549 -10.415 2.990) 16.580 26.709 ( -7.180 -0.724 7.593) 10.475 27.449 ( 10.938 -12.461 5.015) 17.322 28.571 ( -6.962 -3.742 4.595) 9.142 31.915 ( -3.011 -8.281 -0.733) 8.842 34.292 ( 33.887 35.631 -23.797) 54.628 ======================= Grid point 140 (46/216) ======================= q-point: ( 0.36 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.478 ( 34.526 -43.393 10.109) 56.366 4.599 ( 41.416 -26.484 12.487) 50.721 6.534 ( 25.450 -33.746 19.611) 46.595 7.420 ( -15.802 12.994 -10.438) 22.968 8.422 ( 22.144 -13.819 -1.018) 26.122 8.912 ( -14.111 19.348 -15.326) 28.432 9.182 ( -8.071 8.681 -10.394) 15.765 10.037 ( -9.465 -2.610 10.399) 14.302 10.622 ( 4.764 7.644 0.480) 9.020 10.871 ( 8.456 -2.551 -6.928) 11.225 11.073 ( 1.981 6.654 4.778) 8.428 11.577 ( -5.185 2.375 -4.277) 7.128 12.143 ( -9.688 2.724 -0.787) 10.095 12.297 ( 0.402 -3.527 -0.505) 3.586 12.838 ( 4.541 4.882 -6.261) 9.146 13.401 ( 7.086 -3.033 -2.122) 7.995 13.761 ( -1.643 -10.433 -12.368) 16.264 14.017 ( -1.004 5.942 0.052) 6.027 14.245 ( -10.076 -3.839 7.760) 13.285 15.229 ( 0.389 16.702 0.071) 16.707 15.831 ( -12.715 5.510 -1.197) 13.909 17.013 ( -11.211 11.059 17.267) 23.370 19.161 ( -2.086 4.037 -16.355) 16.975 19.394 ( 5.918 -9.201 9.211) 14.301 21.792 ( -4.190 -10.077 16.177) 19.514 22.330 ( -6.838 3.978 5.470) 9.618 24.180 ( -2.496 -2.531 10.865) 11.432 24.667 ( 4.603 7.983 -0.624) 9.236 25.554 ( 10.766 -12.041 -5.721) 17.135 25.838 ( -6.039 -5.179 -6.480) 10.261 26.512 ( -6.297 -5.351 1.790) 8.455 26.645 ( -7.162 -0.338 8.466) 11.095 27.784 ( 11.783 -12.608 4.002) 17.715 28.514 ( -5.161 2.749 3.009) 6.577 32.031 ( -6.379 -10.271 -1.073) 12.138 34.010 ( 24.706 30.605 -14.198) 41.816 ======================= Grid point 141 (47/216) ======================= q-point: ( 0.45 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.328 ( 32.584 -17.786 7.282) 37.829 5.554 ( 29.851 -40.755 4.373) 50.707 6.729 ( 2.259 28.263 3.276) 28.542 7.337 ( -8.956 -18.007 -9.334) 22.171 8.199 ( -18.112 21.297 3.150) 28.134 8.795 ( -12.417 -7.530 -10.587) 17.972 9.376 ( 28.368 -14.156 5.836) 32.236 10.050 ( -10.561 -6.475 7.219) 14.338 10.423 ( 4.408 15.604 6.194) 17.357 10.976 ( 6.137 0.621 -2.268) 6.572 11.028 ( 1.477 5.647 -0.446) 5.854 11.528 ( 1.367 -1.247 -8.840) 9.031 11.999 ( -9.027 0.853 -2.107) 9.309 12.351 ( -0.610 -0.329 4.008) 4.068 12.832 ( -1.775 -5.093 -14.427) 15.402 13.479 ( 0.231 3.137 1.792) 3.620 13.727 ( -4.253 14.487 0.935) 15.128 13.897 ( 1.997 -5.713 -17.314) 18.342 14.392 ( 0.514 -11.517 10.954) 15.903 14.970 ( 6.477 15.702 4.837) 17.661 15.659 ( -9.056 0.786 -8.414) 12.386 16.763 ( -13.039 4.162 14.554) 19.980 19.068 ( -2.757 2.953 -13.031) 13.643 19.548 ( 2.367 -3.713 6.862) 8.154 21.943 ( -1.650 -10.331 15.713) 18.877 22.219 ( -1.765 3.646 8.890) 9.770 24.221 ( -2.143 -4.493 7.785) 9.240 24.578 ( 3.802 7.249 0.566) 8.205 25.769 ( -7.722 -5.116 -8.424) 12.521 25.915 ( 9.483 -6.918 -7.112) 13.725 26.529 ( -3.556 -1.899 4.980) 6.407 26.602 ( -3.811 -1.966 7.046) 8.248 28.042 ( -0.823 -6.120 3.931) 7.320 28.451 ( 9.775 1.982 2.785) 10.355 32.132 ( -10.858 -11.124 -1.542) 15.621 33.726 ( 16.450 26.070 -9.884) 32.372 ======================= Grid point 142 (48/216) ======================= q-point: ( 0.55 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.788 ( 9.813 6.206 7.215) 13.669 5.974 ( 6.287 11.250 5.968) 14.202 6.608 ( 6.648 -3.075 -0.177) 7.327 7.078 ( 4.500 8.826 -20.832) 23.068 8.224 ( -8.181 -22.185 8.054) 24.979 8.769 ( -9.848 -10.707 -6.368) 15.880 9.719 ( 8.991 13.657 12.880) 20.814 9.890 ( -11.622 5.343 7.495) 14.825 10.318 ( 2.978 -1.334 0.371) 3.285 10.832 ( -6.913 9.252 0.081) 11.549 11.028 ( 4.427 0.609 -1.145) 4.613 11.650 ( 13.047 -0.784 -7.286) 14.964 11.979 ( -3.966 -6.410 0.701) 7.570 12.288 ( -2.562 2.882 -2.226) 4.452 13.019 ( -3.039 -16.673 -12.648) 21.146 13.279 ( -5.950 11.737 -4.776) 13.999 13.506 ( -8.604 4.722 -1.050) 9.870 13.999 ( 9.027 1.600 -8.103) 12.235 14.573 ( 3.763 -6.705 12.804) 14.935 14.839 ( 9.849 9.877 4.941) 14.798 15.678 ( 2.816 -7.517 -13.315) 15.547 16.616 ( -14.656 -3.300 14.719) 21.032 19.021 ( -1.304 0.136 -8.863) 8.959 19.575 ( -2.254 0.359 2.909) 3.698 22.058 ( -3.346 -3.203 16.783) 17.411 22.214 ( 7.559 -2.203 9.024) 11.975 24.283 ( -2.171 -4.963 5.601) 7.792 24.493 ( 3.174 6.525 2.086) 7.550 25.678 ( -14.852 0.378 -7.046) 16.443 26.132 ( 12.074 -2.977 -11.577) 16.990 26.517 ( -2.807 -1.167 6.874) 7.516 26.645 ( 2.564 -3.406 7.205) 8.371 27.932 ( -15.997 4.437 5.345) 17.440 28.697 ( 27.726 -4.716 1.684) 28.174 32.191 ( -15.875 -10.893 -2.144) 19.371 33.436 ( 7.839 21.761 -7.739) 24.390 ======================= Grid point 143 (49/216) ======================= q-point: (-0.36 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.170 ( -10.767 39.920 9.686) 42.466 5.677 ( -12.755 46.734 -1.229) 48.459 6.448 ( 5.504 -8.908 10.530) 14.850 7.744 ( 24.932 -32.722 -22.114) 46.706 8.345 ( -4.593 -3.077 -9.998) 11.425 8.888 ( -9.803 31.581 15.746) 36.625 9.198 ( -4.188 -9.629 4.981) 11.621 9.913 ( -1.977 -6.764 12.110) 14.011 10.309 ( -3.025 6.970 -12.214) 14.385 10.662 ( -12.459 -3.373 4.675) 13.728 11.124 ( 8.328 -3.935 0.559) 9.227 11.648 ( 6.523 13.321 -6.588) 16.230 12.102 ( 1.106 -7.150 -1.141) 7.324 12.255 ( -4.367 -3.714 -2.777) 6.370 12.911 ( -8.768 17.152 -0.708) 19.276 13.314 ( -0.179 -14.412 -12.150) 18.851 13.530 ( -3.856 -13.241 -6.722) 15.342 14.020 ( 6.106 3.775 -0.775) 7.221 14.656 ( -1.465 0.491 -6.804) 6.977 14.821 ( 17.970 5.921 20.137) 27.631 15.944 ( 12.910 -12.196 -12.117) 21.500 16.602 ( -14.695 -12.386 17.327) 25.876 19.030 ( -0.970 -1.864 -4.707) 5.155 19.504 ( -4.848 3.342 -1.730) 6.137 22.029 ( -0.438 2.603 17.489) 17.687 22.388 ( 10.156 -5.677 7.260) 13.714 24.336 ( -0.994 -2.317 4.103) 4.815 24.426 ( 1.344 3.093 3.717) 5.019 25.491 ( -15.214 3.604 -5.454) 16.559 26.225 ( 8.622 3.961 -13.182) 16.242 26.525 ( -1.582 -2.197 5.401) 6.042 26.758 ( 8.096 -2.978 8.363) 12.015 27.669 ( -18.439 5.198 6.379) 20.192 29.084 ( 35.551 -3.607 0.475) 35.736 32.186 ( -20.930 -9.380 -2.850) 23.112 33.132 ( -2.264 16.856 -6.621) 18.251 ======================= Grid point 144 (50/216) ======================= q-point: (-0.27 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.311 ( -14.342 45.403 14.561) 49.791 4.626 ( -14.268 55.874 6.288) 58.009 6.511 ( -4.242 16.789 17.267) 24.455 7.813 ( -16.314 32.408 10.145) 37.674 8.302 ( 20.755 -2.399 -25.616) 33.056 8.760 ( 4.851 -24.989 -12.535) 28.375 9.476 ( 7.669 -8.445 -4.397) 12.226 10.013 ( -7.029 0.844 -7.882) 10.595 10.223 ( -5.941 -17.260 1.596) 18.323 10.641 ( -8.601 -2.362 18.747) 20.760 11.188 ( 7.425 11.459 -3.316) 14.051 11.451 ( -5.497 -0.549 -4.934) 7.406 12.239 ( 5.740 -3.906 -5.975) 9.160 12.354 ( -0.295 -8.191 -6.159) 10.252 12.604 ( -7.291 4.526 7.638) 11.489 13.448 ( 0.886 -0.248 -10.493) 10.533 13.722 ( -4.411 -8.066 -10.255) 13.773 13.990 ( 2.650 5.585 1.524) 6.367 14.667 ( -1.884 -9.428 -7.035) 11.913 14.923 ( 16.080 4.357 20.215) 26.195 16.274 ( 14.987 -8.313 -8.890) 19.306 16.765 ( -9.931 -20.694 20.206) 30.580 19.018 ( -5.446 1.612 6.915) 8.949 19.401 ( -2.089 2.875 -14.405) 14.836 21.979 ( 1.582 3.762 17.555) 18.023 22.579 ( 9.817 -4.557 4.411) 11.687 24.324 ( 2.939 3.528 6.525) 7.979 24.436 ( -3.118 -4.193 2.507) 5.796 25.274 ( -12.183 5.426 -4.306) 14.015 26.182 ( 5.445 8.563 -10.992) 14.960 26.558 ( -0.629 -2.924 2.942) 4.196 26.882 ( 10.329 -0.264 8.754) 13.542 27.417 ( -17.374 2.997 5.648) 18.513 29.523 ( 45.750 -1.206 -0.923) 45.776 32.095 ( -26.524 -7.107 -3.533) 27.686 32.807 ( -13.994 11.908 -6.063) 19.349 ======================= Grid point 145 (51/216) ======================= q-point: (-0.18 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -13.451 50.059 21.270) 56.029 3.532 ( -9.813 56.315 17.779) 59.865 5.538 ( -12.267 74.276 34.173) 82.675 7.601 ( -4.590 -9.169 -4.548) 11.217 8.436 ( 17.157 8.335 -15.888) 24.824 9.038 ( -8.776 -5.008 -22.968) 25.092 9.662 ( 9.059 -0.859 -24.474) 26.111 10.081 ( -3.617 -25.341 -12.610) 28.535 10.410 ( 0.041 10.749 18.057) 21.014 10.642 ( -6.034 -22.402 9.349) 25.013 11.150 ( 4.046 -5.121 2.402) 6.954 11.524 ( -6.045 -10.085 -0.977) 11.798 12.162 ( 2.154 13.878 -5.024) 14.915 12.512 ( 5.682 -8.135 -1.677) 10.064 12.753 ( -1.425 -18.527 5.786) 19.462 13.383 ( 3.482 8.510 -11.457) 14.690 13.613 ( -10.557 10.253 -14.799) 20.871 13.921 ( 2.539 4.620 10.180) 11.464 14.899 ( 11.079 -0.703 7.626) 13.468 15.025 ( -5.001 -18.971 3.410) 19.913 16.477 ( 10.356 0.275 -5.413) 11.689 17.090 ( -3.103 -23.073 21.880) 31.949 18.837 ( -7.910 10.551 18.910) 23.054 19.393 ( 1.222 -1.540 -27.538) 27.608 21.932 ( 2.030 3.927 16.106) 16.702 22.721 ( 5.940 -2.559 2.000) 6.770 24.312 ( 3.247 0.731 11.822) 12.281 24.480 ( -3.771 -4.696 0.657) 6.059 25.082 ( -6.300 5.832 -3.875) 9.419 26.056 ( 2.410 10.104 -7.998) 13.110 26.613 ( 0.085 -3.754 1.036) 3.895 26.956 ( 7.860 2.275 10.827) 13.572 27.238 ( -10.987 1.327 1.978) 11.243 30.047 ( 58.067 -0.713 -3.672) 58.187 31.899 ( -37.599 -6.327 -3.879) 38.324 32.437 ( -20.259 11.314 -5.103) 23.759 ======================= Grid point 146 (52/216) ======================= q-point: (-0.09 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 0.000 50.195 30.492) 58.730 2.556 ( 0.000 49.213 38.052) 62.209 4.075 ( 0.000 83.168 48.414) 96.233 7.704 ( -0.000 -1.181 -7.566) 7.657 8.357 ( 0.000 9.676 -12.305) 15.654 8.957 ( 0.000 0.939 -30.636) 30.650 9.719 ( 0.000 1.871 -33.096) 33.149 10.310 ( -0.000 -7.214 27.572) 28.501 10.618 ( -0.000 -30.865 -22.342) 38.102 11.000 ( -0.000 -19.627 -1.003) 19.653 11.325 ( -0.000 -9.755 14.740) 17.675 11.666 ( -0.000 -10.672 0.371) 10.678 11.949 ( 0.000 10.892 0.539) 10.905 12.642 ( -0.000 -0.474 -10.088) 10.099 13.013 ( -0.000 -9.451 11.312) 14.741 13.269 ( 0.000 15.454 -11.082) 19.017 13.321 ( 0.000 3.230 -4.374) 5.437 13.855 ( 0.000 4.389 11.187) 12.017 14.928 ( -0.000 -0.089 3.382) 3.383 15.416 ( -0.000 -24.437 -1.625) 24.491 16.452 ( 0.000 8.026 -1.202) 8.116 17.447 ( -0.000 -19.328 22.791) 29.883 18.559 ( 0.000 15.668 23.326) 28.100 19.440 ( -0.000 -2.474 -32.817) 32.910 21.872 ( 0.000 4.853 13.516) 14.361 22.778 ( -0.000 -0.831 0.478) 0.958 24.388 ( -0.000 -8.343 21.096) 22.686 24.529 ( -0.000 -3.953 -1.425) 4.202 24.956 ( 0.000 5.353 -4.105) 6.746 25.900 ( 0.000 8.958 -5.840) 10.693 26.689 ( -0.000 -4.855 -0.197) 4.859 26.957 ( 0.000 1.774 12.215) 12.344 27.153 ( 0.000 3.025 -1.255) 3.275 30.562 ( -0.000 -4.970 -12.855) 13.782 31.638 ( -0.000 -2.005 -0.337) 2.033 32.088 ( 0.000 13.473 -2.513) 13.705 ======================= Grid point 149 (53/216) ======================= q-point: ( 0.18 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 44.263 -0.000 33.369) 55.432 2.792 ( 45.324 -0.000 45.772) 64.415 4.655 ( 93.021 -0.000 30.578) 97.917 7.688 ( -14.086 0.000 -19.607) 24.142 7.921 ( 16.380 -0.000 -5.588) 17.307 9.212 ( -7.276 0.000 -26.220) 27.210 9.916 ( 25.078 -0.000 -23.178) 34.149 10.560 ( -25.324 0.000 -2.236) 25.423 10.711 ( -2.851 0.000 11.187) 11.544 10.911 ( -18.075 0.000 2.637) 18.267 11.371 ( -13.218 0.000 10.758) 17.043 11.611 ( 0.308 -0.000 -21.511) 21.513 12.375 ( -13.600 0.000 2.762) 13.878 12.454 ( -9.394 0.000 3.204) 9.925 12.924 ( 24.409 -0.000 -15.017) 28.659 12.988 ( -5.468 0.000 9.054) 10.577 13.281 ( -2.526 0.000 3.807) 4.569 13.864 ( 12.812 -0.000 7.118) 14.656 14.518 ( 0.071 -0.000 -0.769) 0.772 15.322 ( -21.772 0.000 -6.720) 22.785 16.539 ( -16.117 0.000 -1.265) 16.166 18.156 ( 8.505 -0.000 22.537) 24.088 18.291 ( 5.150 -0.000 22.379) 22.964 19.348 ( -5.154 0.000 -28.526) 28.988 21.500 ( -7.453 0.000 16.466) 18.074 22.556 ( -7.338 0.000 -0.254) 7.342 24.313 ( -8.294 0.000 24.076) 25.464 24.891 ( 2.424 -0.000 -2.404) 3.415 25.183 ( 0.443 -0.000 -1.445) 1.512 25.581 ( 2.125 -0.000 -6.303) 6.651 26.010 ( -10.459 0.000 14.330) 17.741 26.698 ( -5.435 0.000 5.450) 7.697 27.220 ( 11.927 -0.000 5.922) 13.317 28.515 ( 13.324 -0.000 4.454) 14.049 31.769 ( -0.853 0.000 0.251) 0.889 35.137 ( 16.368 -0.000 -44.544) 47.456 ======================= Grid point 150 (54/216) ======================= q-point: ( 0.27 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 42.303 -21.934 26.687) 54.616 3.517 ( 44.180 -28.525 31.698) 61.403 5.640 ( 78.343 -10.302 21.760) 81.959 7.600 ( -5.854 -2.797 -16.562) 17.787 8.115 ( 13.710 -3.667 -4.498) 14.888 9.106 ( -4.740 4.460 -20.514) 21.521 9.986 ( -13.350 16.927 -21.242) 30.265 10.204 ( 2.667 9.202 5.158) 10.881 10.588 ( -7.071 2.694 6.021) 9.670 10.916 ( -4.717 -7.068 -4.080) 9.426 11.152 ( -10.858 3.615 -1.546) 11.548 11.720 ( -0.927 -4.749 1.214) 4.988 12.104 ( -15.768 6.218 3.112) 17.233 12.328 ( -5.754 3.826 0.936) 6.973 12.963 ( 3.516 1.100 3.576) 5.134 13.209 ( 15.071 -6.964 -18.995) 25.228 13.393 ( 2.484 -10.289 3.331) 11.096 14.023 ( 5.849 -2.377 1.451) 6.478 14.380 ( -7.241 9.918 1.657) 12.391 15.224 ( -18.602 -10.716 -8.004) 22.912 16.260 ( -17.540 9.926 2.711) 20.336 17.713 ( 0.195 31.086 23.665) 39.069 18.807 ( 8.697 -25.626 18.795) 32.948 19.280 ( -5.868 1.473 -24.150) 24.896 21.479 ( -7.860 -6.026 15.085) 18.046 22.465 ( -5.655 2.912 0.832) 6.415 24.203 ( -4.557 3.437 20.114) 20.908 24.958 ( 3.914 2.561 -2.784) 5.443 25.133 ( 3.315 -3.368 -1.109) 4.854 25.672 ( -1.449 -5.133 -5.633) 7.758 26.085 ( -8.609 -15.075 4.283) 17.881 26.641 ( -6.173 0.029 6.879) 9.243 27.399 ( 12.862 -6.598 5.322) 15.404 28.641 ( 14.446 3.133 0.929) 14.811 31.791 ( -1.691 -3.541 0.625) 3.973 35.037 ( 11.234 22.203 -28.669) 37.962 ======================= Grid point 151 (55/216) ======================= q-point: ( 0.36 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.173 ( 39.103 -34.153 16.694) 54.535 4.515 ( 41.970 -35.048 20.206) 58.294 6.377 ( 34.334 -9.418 13.150) 37.953 7.635 ( 10.120 8.345 -9.323) 16.093 8.315 ( 4.666 -10.628 -4.815) 12.566 9.005 ( 3.001 4.661 -11.407) 12.683 9.464 ( -10.884 24.848 -11.990) 29.658 9.917 ( -17.016 5.600 10.252) 20.640 10.684 ( 4.380 -2.851 -5.401) 7.516 10.961 ( 9.836 1.610 -7.258) 12.329 11.084 ( -7.841 -5.458 -1.973) 9.755 11.628 ( -2.980 9.701 5.804) 11.691 11.963 ( -17.632 -4.879 1.139) 18.330 12.277 ( 0.823 -1.226 3.044) 3.383 12.992 ( 5.922 3.196 -6.499) 9.355 13.452 ( 11.505 -3.540 -17.705) 21.409 13.574 ( 0.902 -9.425 4.293) 10.396 13.969 ( -6.819 3.235 -2.380) 7.914 14.219 ( -4.271 2.033 3.638) 5.968 15.229 ( -12.302 -5.733 -8.928) 16.245 15.921 ( -13.108 10.766 5.303) 17.772 17.187 ( -7.330 24.931 22.199) 34.177 19.165 ( -5.454 -0.608 -18.049) 18.865 19.268 ( 7.038 -12.509 13.328) 19.587 21.546 ( -7.454 -10.478 14.558) 19.424 22.360 ( -2.418 4.183 3.629) 6.042 24.137 ( -2.310 0.262 14.633) 14.816 24.866 ( 4.733 9.501 -2.620) 10.933 25.374 ( 3.157 -15.739 -2.266) 16.212 25.723 ( -2.688 -4.064 -3.899) 6.240 26.254 ( -8.080 -13.171 -1.192) 15.498 26.577 ( -6.282 0.146 8.203) 10.333 27.686 ( 12.611 -11.327 4.377) 17.507 28.670 ( 12.089 8.469 0.276) 14.763 31.843 ( -4.124 -5.443 0.624) 6.857 34.707 ( 11.310 27.501 -17.905) 34.711 ======================= Grid point 152 (56/216) ======================= q-point: ( 0.45 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.172 ( 34.592 -38.641 8.554) 52.563 5.435 ( 42.137 -20.488 10.734) 48.068 6.785 ( -0.694 -23.983 9.814) 25.922 7.330 ( 7.022 32.645 1.376) 33.420 8.453 ( -17.529 -8.720 -14.264) 24.223 8.613 ( -15.638 34.794 -13.154) 40.351 9.468 ( 33.715 -12.056 7.314) 36.545 9.812 ( -11.801 -6.146 8.832) 15.970 10.651 ( 0.860 6.913 -8.080) 10.668 11.004 ( -0.322 -0.540 -0.482) 0.792 11.184 ( 8.971 0.924 -2.411) 9.335 11.470 ( -4.609 -0.108 -3.045) 5.525 11.865 ( -13.215 -2.574 1.946) 13.604 12.335 ( 2.297 -1.925 7.016) 7.629 12.865 ( -3.529 10.573 -15.447) 19.049 13.579 ( 5.509 2.595 1.488) 6.269 13.723 ( -2.503 -6.975 -14.580) 16.355 13.882 ( -2.201 0.185 2.787) 3.556 14.233 ( 3.135 -6.898 2.372) 7.939 15.162 ( -5.411 2.676 -8.159) 10.149 15.664 ( -6.694 6.931 4.303) 10.552 16.741 ( -14.115 14.265 19.192) 27.768 19.075 ( -5.176 2.105 -14.041) 15.112 19.499 ( 3.909 -5.870 8.825) 11.297 21.690 ( -5.859 -13.659 14.927) 21.064 22.288 ( 2.042 3.653 7.076) 8.221 24.140 ( -1.611 -2.589 10.839) 11.260 24.754 ( 4.192 8.603 -1.579) 9.700 25.596 ( -5.728 -7.011 -6.199) 10.973 25.837 ( 5.086 -11.254 -1.820) 12.483 26.377 ( -6.390 -9.631 -1.893) 11.712 26.521 ( -5.199 -0.652 8.518) 10.000 27.976 ( 8.637 -6.969 3.560) 11.655 28.636 ( 12.919 6.620 0.967) 14.549 31.885 ( -8.011 -6.130 0.408) 10.095 34.337 ( 9.968 27.703 -12.279) 31.899 ======================= Grid point 153 (57/216) ======================= q-point: ( 0.55 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.954 ( 29.359 -4.064 5.890) 30.219 6.149 ( 28.932 -26.694 4.361) 39.606 6.683 ( -3.530 25.093 1.231) 25.370 7.365 ( 7.456 -13.120 3.536) 15.500 7.829 ( -17.567 18.384 2.819) 25.583 8.414 ( -22.271 -10.526 -15.755) 29.240 9.756 ( -16.810 -1.421 7.042) 18.281 9.972 ( 27.026 -4.249 3.769) 27.616 10.502 ( 3.925 13.098 -4.047) 14.260 10.945 ( -6.650 7.902 0.952) 10.372 11.122 ( 4.171 5.709 -0.229) 7.074 11.637 ( 7.869 -12.605 -5.564) 15.867 11.828 ( -6.193 -4.759 2.442) 8.183 12.324 ( -1.755 3.013 3.258) 4.772 12.752 ( -6.404 -5.547 -13.421) 15.872 13.400 ( -3.484 11.924 -5.471) 13.574 13.624 ( -5.644 10.824 -2.513) 12.463 14.057 ( 10.724 -6.356 -7.402) 14.498 14.453 ( 3.547 -11.871 8.542) 15.049 15.080 ( 5.219 5.372 -4.265) 8.619 15.587 ( 0.056 -3.056 -1.975) 3.639 16.420 ( -19.601 3.908 16.854) 26.145 19.012 ( -2.480 0.591 -7.166) 7.606 19.558 ( -1.113 -0.049 1.223) 1.655 21.879 ( -3.707 -12.690 16.320) 21.003 22.282 ( 6.025 1.381 8.666) 10.645 24.184 ( -1.485 -4.129 8.142) 9.249 24.651 ( 3.541 7.814 -0.184) 8.581 25.555 ( -10.519 0.091 -5.430) 11.838 26.123 ( 8.827 -10.699 -5.842) 15.050 26.453 ( -3.852 -4.211 2.677) 6.304 26.526 ( -3.833 -6.907 5.275) 9.498 27.982 ( -0.982 9.989 4.728) 11.095 28.816 ( 20.182 -8.234 0.593) 21.805 31.888 ( -12.847 -6.065 0.081) 14.207 33.951 ( 7.084 27.045 -9.280) 29.457 ======================= Grid point 154 (58/216) ======================= q-point: (-0.36 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.830 ( 0.225 40.811 9.562) 41.917 6.182 ( 7.665 11.435 1.320) 13.829 6.645 ( 1.513 30.133 4.632) 30.524 7.343 ( 15.099 -32.976 -8.618) 37.278 8.122 ( -1.639 -19.401 -11.442) 22.583 8.564 ( -9.283 -32.320 6.946) 34.337 9.431 ( -19.822 21.307 6.000) 29.714 10.055 ( 13.937 15.432 10.581) 23.331 10.376 ( 2.143 2.677 -16.289) 16.646 10.624 ( -12.057 14.535 5.701) 19.727 11.142 ( 4.888 -1.486 -0.890) 5.186 11.833 ( 2.400 -1.633 -1.562) 3.297 11.919 ( -2.252 -10.273 4.792) 11.557 12.295 ( 5.486 6.809 -4.660) 9.908 12.890 ( -8.762 -21.564 -14.227) 27.280 13.156 ( -5.574 15.569 -1.396) 16.596 13.422 ( 0.092 2.771 -3.716) 4.636 14.160 ( 6.507 3.585 -5.608) 9.308 14.645 ( 1.902 -4.510 -1.555) 5.136 15.103 ( 17.778 4.384 10.409) 21.062 15.784 ( 4.936 -15.619 -7.742) 18.118 16.229 ( -22.214 -6.672 16.740) 28.604 19.006 ( -0.040 -0.942 -0.178) 0.959 19.504 ( -4.065 2.532 -6.000) 7.677 22.009 ( -1.525 -4.843 18.448) 19.134 22.376 ( 7.298 -4.706 7.096) 11.214 24.246 ( -1.393 -4.597 5.907) 7.613 24.554 ( 2.711 7.138 1.557) 7.793 25.419 ( -10.295 3.090 -4.081) 11.497 26.314 ( 6.368 -2.135 -11.097) 12.971 26.471 ( -1.926 -2.198 5.309) 6.060 26.684 ( 0.988 -11.979 4.330) 12.775 27.712 ( -6.307 15.072 7.628) 18.031 29.235 ( 24.075 -13.566 -1.079) 27.655 31.835 ( -17.821 -5.175 -0.220) 18.559 33.545 ( 3.385 26.196 -7.436) 27.440 ======================= Grid point 155 (59/216) ======================= q-point: (-0.27 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.045 ( -2.521 47.664 14.362) 49.845 5.486 ( -5.554 54.100 -2.074) 54.424 6.541 ( 2.781 -4.147 13.146) 14.062 8.124 ( 10.976 -31.903 -11.214) 35.553 8.262 ( -3.403 5.628 -15.452) 16.793 8.701 ( -4.213 26.599 -1.848) 26.993 9.174 ( -0.710 -30.806 16.006) 34.724 9.950 ( 5.253 4.455 1.910) 7.147 10.181 ( -9.407 13.802 -10.916) 19.954 10.480 ( -4.261 -5.914 5.243) 8.978 11.236 ( 2.601 -4.412 -0.928) 5.205 11.749 ( 3.244 20.645 -0.769) 20.913 12.101 ( -0.695 -12.745 -0.901) 12.796 12.177 ( -2.500 -2.445 -2.286) 4.178 12.785 ( -3.193 17.772 -0.269) 18.059 13.328 ( 1.031 -25.026 -14.830) 29.109 13.459 ( -2.696 -5.714 -4.050) 7.504 14.116 ( 2.978 6.125 1.837) 7.054 14.619 ( -1.554 4.353 -15.238) 15.923 15.216 ( 17.127 7.336 20.374) 27.609 16.145 ( 4.400 -19.621 -3.971) 20.497 16.269 ( -13.472 -19.375 14.798) 27.854 19.015 ( -0.428 0.754 8.949) 8.991 19.419 ( -2.805 2.555 -15.307) 15.770 22.030 ( 0.183 0.919 18.792) 18.815 22.550 ( 4.933 -7.143 5.194) 10.116 24.313 ( -0.816 -4.414 3.852) 5.916 24.460 ( 1.333 6.029 3.824) 7.262 25.265 ( -6.532 4.706 -3.207) 8.666 26.336 ( 2.774 4.179 -12.453) 13.426 26.502 ( -0.658 -2.830 4.509) 5.364 26.913 ( 6.030 -9.510 3.061) 11.669 27.387 ( -9.021 12.937 10.816) 19.124 29.728 ( 23.685 -15.651 -3.492) 28.603 31.716 ( -19.723 -2.846 -0.161) 19.927 33.121 ( 0.180 24.895 -6.012) 25.612 ======================= Grid point 156 (60/216) ======================= q-point: (-0.18 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.171 ( 0.000 51.310 18.216) 54.447 4.479 ( 0.000 58.129 6.245) 58.464 6.465 ( 0.000 27.529 19.907) 33.973 7.626 ( 0.000 26.973 5.670) 27.563 8.586 ( -0.000 -8.347 -14.078) 16.367 8.787 ( -0.000 -14.914 -26.219) 30.164 9.576 ( -0.000 -21.644 -2.698) 21.812 9.889 ( 0.000 13.315 -16.889) 21.506 10.160 ( -0.000 -23.971 3.758) 24.264 10.550 ( -0.000 -1.300 23.142) 23.178 11.309 ( 0.000 22.590 -5.694) 23.296 11.346 ( -0.000 -7.115 -0.598) 7.140 12.335 ( -0.000 -7.287 -9.566) 12.025 12.340 ( -0.000 -13.490 -1.027) 13.529 12.515 ( 0.000 5.713 7.031) 9.060 13.457 ( 0.000 0.664 -2.746) 2.826 13.664 ( -0.000 -5.439 -22.259) 22.914 14.023 ( 0.000 5.858 8.408) 10.247 14.630 ( -0.000 -11.029 -9.416) 14.502 15.134 ( 0.000 10.315 18.140) 20.867 16.444 ( -0.000 -9.801 -7.974) 12.635 16.624 ( -0.000 -27.554 21.847) 35.164 18.949 ( 0.000 6.169 16.359) 17.483 19.383 ( 0.000 0.168 -23.439) 23.440 21.997 ( 0.000 2.802 17.787) 18.007 22.685 ( -0.000 -5.190 3.431) 6.222 24.375 ( 0.000 4.260 7.200) 8.366 24.385 ( -0.000 -4.379 1.871) 4.762 25.144 ( 0.000 5.315 -3.182) 6.194 26.237 ( 0.000 8.725 -11.032) 14.065 26.551 ( -0.000 -3.266 2.514) 4.121 27.108 ( -0.000 -6.551 0.201) 6.554 27.121 ( 0.000 9.414 14.219) 17.053 30.165 ( -0.000 -16.500 -6.576) 17.762 31.604 ( -0.000 -0.081 0.366) 0.375 32.709 ( 0.000 22.381 -4.695) 22.868 ======================= Grid point 161 (61/216) ======================= q-point: ( 0.27 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 34.699 -0.000 25.913) 43.308 3.727 ( 47.826 -0.000 35.009) 59.270 6.398 ( 79.597 -0.000 10.631) 80.304 7.502 ( -3.170 0.000 -13.076) 13.454 8.231 ( 13.860 -0.000 -3.026) 14.186 9.122 ( 1.163 -0.000 -14.814) 14.860 9.949 ( -24.714 0.000 -19.746) 31.633 10.340 ( -18.460 0.000 3.779) 18.843 10.567 ( 7.827 -0.000 -0.725) 7.860 10.709 ( 1.439 -0.000 -1.324) 1.956 11.190 ( -4.271 0.000 7.631) 8.746 11.551 ( -7.123 0.000 -3.305) 7.852 12.029 ( -16.341 0.000 -1.354) 16.397 12.310 ( -4.669 0.000 -0.386) 4.685 12.970 ( -0.165 0.000 -0.319) 0.359 13.242 ( -1.604 0.000 1.452) 2.164 13.425 ( 24.674 -0.000 -15.634) 29.211 14.048 ( 6.321 -0.000 5.342) 8.276 14.522 ( -0.124 0.000 -2.267) 2.271 14.847 ( -25.595 0.000 -8.215) 26.881 16.096 ( -27.318 0.000 3.648) 27.560 18.320 ( 7.917 -0.000 19.156) 20.727 18.369 ( 2.894 -0.000 23.899) 24.073 19.231 ( -6.592 0.000 -20.605) 21.634 21.353 ( -7.064 0.000 13.134) 14.913 22.447 ( -3.461 0.000 0.250) 3.470 24.195 ( -4.083 0.000 21.759) 22.139 24.938 ( 2.239 -0.000 -0.902) 2.414 25.197 ( 1.040 -0.000 -3.850) 3.988 25.611 ( 0.434 -0.000 -3.823) 3.848 25.910 ( -1.275 0.000 -0.557) 1.391 26.581 ( -6.202 0.000 7.598) 9.808 27.467 ( 12.459 -0.000 5.003) 13.426 28.848 ( 18.275 -0.000 -1.788) 18.362 31.750 ( -1.032 0.000 1.552) 1.864 35.268 ( 0.396 -0.000 -24.816) 24.819 ======================= Grid point 162 (62/216) ======================= q-point: ( 0.36 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.001 ( 28.774 -26.484 20.022) 43.935 4.376 ( 42.696 -21.937 31.247) 57.276 6.862 ( 38.689 17.259 -1.065) 42.377 7.711 ( 14.121 -14.474 -11.054) 23.045 8.350 ( 16.045 4.525 4.029) 17.151 9.142 ( 9.769 3.684 -6.663) 12.386 9.632 ( -15.677 7.370 -15.070) 22.961 9.902 ( -26.717 14.512 6.076) 31.005 10.698 ( 7.741 -0.536 -6.146) 9.899 10.838 ( -6.223 -9.763 -5.341) 12.750 11.109 ( 7.163 4.316 -0.463) 8.376 11.570 ( -14.999 -7.254 12.304) 20.712 11.848 ( -4.980 4.756 -7.702) 10.332 12.271 ( -0.170 0.015 0.054) 0.179 12.989 ( -1.646 -3.624 -1.386) 4.215 13.325 ( -0.578 -10.801 -3.983) 11.526 13.662 ( 18.099 1.447 -13.940) 22.891 14.054 ( -3.958 8.947 -3.059) 10.251 14.231 ( -5.523 8.992 4.316) 11.402 14.909 ( -12.256 -16.954 -8.893) 22.732 15.803 ( -26.886 1.401 5.157) 27.412 17.739 ( 2.241 38.440 23.766) 45.249 18.937 ( 4.275 -24.843 11.851) 27.855 19.166 ( -5.256 -1.245 -11.292) 12.517 21.333 ( -6.693 -5.318 11.862) 14.622 22.402 ( -0.989 2.254 1.573) 2.921 24.138 ( -2.248 2.007 18.152) 18.401 25.033 ( 3.549 -1.002 -2.737) 4.592 25.165 ( 0.482 -3.176 -1.617) 3.596 25.640 ( -1.932 -2.713 -1.360) 3.597 26.002 ( -1.060 -9.682 -5.819) 11.345 26.520 ( -5.862 0.105 8.720) 10.508 27.647 ( 11.653 -7.036 4.430) 14.316 28.959 ( 16.064 7.111 -2.542) 17.750 31.755 ( -1.817 -1.754 1.966) 3.200 35.129 ( 0.319 14.503 -18.393) 23.425 ======================= Grid point 163 (63/216) ======================= q-point: ( 0.45 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.840 ( 25.531 -37.892 12.519) 47.375 5.275 ( 35.062 -36.422 25.508) 56.626 6.814 ( 17.440 15.366 1.979) 23.328 7.857 ( -0.574 9.653 -8.692) 13.002 8.235 ( -5.675 13.603 -3.625) 15.178 9.052 ( -8.973 26.354 -14.500) 31.390 9.586 ( 26.904 -10.774 10.078) 30.683 9.642 ( -4.505 -3.193 1.457) 5.711 10.724 ( 1.976 1.469 -9.432) 9.748 10.871 ( -13.379 -7.374 -4.946) 16.057 11.201 ( 7.588 -2.918 -1.217) 8.220 11.448 ( -11.813 1.882 2.425) 12.205 11.792 ( 1.900 2.176 0.630) 2.957 12.325 ( 3.858 -2.743 5.232) 7.056 12.978 ( -10.103 5.166 -12.272) 16.714 13.507 ( -2.757 -8.331 -13.855) 16.400 13.658 ( 2.992 -2.755 14.308) 14.874 13.903 ( 3.844 5.517 -13.608) 15.179 14.199 ( 1.521 -1.183 1.789) 2.629 15.039 ( -6.601 -8.379 -10.787) 15.170 15.562 ( -21.503 -2.274 4.834) 22.156 17.105 ( -1.158 34.921 24.826) 42.862 19.039 ( -6.044 0.422 -14.906) 16.091 19.389 ( 4.536 -13.358 13.482) 19.513 21.406 ( -6.255 -10.932 12.305) 17.608 22.364 ( 1.973 2.469 4.547) 5.538 24.103 ( -1.195 -0.108 14.039) 14.090 24.952 ( 3.887 9.477 -3.765) 10.913 25.382 ( -1.431 -14.508 -2.628) 14.814 25.678 ( -2.086 -6.289 2.332) 7.025 26.161 ( -1.937 -9.716 -8.192) 12.856 26.467 ( -4.627 -0.214 9.338) 10.423 27.918 ( 10.162 -10.742 3.386) 15.170 28.929 ( 12.388 11.683 -1.689) 17.112 31.761 ( -3.851 -1.906 2.012) 4.745 34.826 ( 2.336 21.379 -13.603) 25.447 ======================= Grid point 164 (64/216) ======================= q-point: ( 0.55 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.755 ( 21.418 -40.484 6.204) 46.218 6.204 ( 34.281 -23.658 13.673) 43.839 6.776 ( 4.170 -2.652 13.791) 14.649 7.425 ( -1.248 29.597 7.679) 30.603 8.033 ( -21.487 -5.006 -14.860) 26.600 8.331 ( -12.072 39.599 -14.748) 43.947 9.623 ( -6.069 1.547 2.223) 6.646 10.129 ( 27.601 -9.646 3.763) 29.479 10.717 ( 6.791 5.539 -8.442) 12.168 10.880 ( -9.623 -7.876 -3.090) 12.813 11.217 ( -5.564 4.230 -0.907) 7.048 11.432 ( -1.729 -10.652 -2.636) 11.109 11.806 ( 8.552 2.092 4.761) 10.009 12.366 ( -0.281 3.471 5.130) 6.200 12.676 ( -13.723 5.316 -12.443) 19.272 13.607 ( 2.339 4.854 -5.408) 7.635 13.679 ( -1.537 5.002 -9.032) 10.439 13.985 ( 6.873 -13.104 8.584) 17.106 14.280 ( 0.314 -7.002 -3.056) 7.647 15.093 ( -0.008 -3.935 -10.400) 11.119 15.473 ( -12.866 -6.518 -0.800) 14.445 16.544 ( -5.024 26.243 25.251) 36.763 18.984 ( -3.585 -0.133 -8.078) 8.839 19.547 ( 1.176 -2.219 3.677) 4.453 21.587 ( -4.002 -15.534 14.680) 21.745 22.358 ( 3.746 1.561 7.252) 8.310 24.116 ( -0.821 -2.415 10.907) 11.201 24.828 ( 3.075 8.828 -2.469) 9.669 25.472 ( -5.404 -1.181 -4.870) 7.370 25.911 ( 1.904 -18.915 4.228) 19.476 26.289 ( -2.400 -7.613 -8.670) 11.785 26.442 ( -2.776 -1.291 8.793) 9.311 28.128 ( 6.105 -0.212 2.690) 6.675 28.889 ( 10.609 2.031 -0.421) 10.809 31.739 ( -6.082 -1.082 1.872) 6.455 34.454 ( 2.934 24.838 -10.652) 27.185 ======================= Grid point 165 (65/216) ======================= q-point: ( 0.64 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.407 ( 14.453 11.171 4.536) 18.822 6.514 ( 3.259 12.892 6.121) 14.639 6.767 ( 12.767 -15.632 8.032) 21.722 7.437 ( -3.367 31.165 -0.151) 31.347 7.621 ( -0.245 -31.054 15.085) 34.525 8.005 ( -15.934 -12.044 -22.545) 30.120 9.475 ( -8.909 6.269 3.314) 11.386 10.365 ( 10.450 1.656 -13.481) 17.138 10.597 ( 6.050 16.881 -3.643) 18.298 10.812 ( -5.557 13.171 9.512) 17.170 11.131 ( -2.274 -2.897 -3.163) 4.855 11.659 ( -2.084 -14.009 -2.156) 14.326 11.861 ( 4.205 1.476 10.333) 11.253 12.312 ( 0.825 -9.492 -9.273) 13.295 12.607 ( -6.064 -0.800 -5.445) 8.189 13.392 ( 0.824 15.172 -6.538) 16.541 13.551 ( -1.299 10.048 -2.885) 10.535 14.238 ( 6.450 -2.365 -8.665) 11.058 14.471 ( -1.529 -16.605 8.974) 18.936 15.237 ( 11.356 -6.581 -6.594) 14.689 15.520 ( -9.589 -11.845 -4.509) 15.893 16.122 ( -7.450 14.859 23.916) 29.125 18.980 ( -0.744 -1.676 -0.253) 1.851 19.528 ( -1.219 3.106 -5.699) 6.604 21.826 ( -1.433 -13.983 17.252) 22.253 22.384 ( 3.193 -0.744 7.808) 8.468 24.164 ( -0.550 -3.797 8.344) 9.184 24.707 ( 1.756 8.031 -0.817) 8.261 25.399 ( -4.492 2.835 -3.442) 6.330 26.258 ( 4.960 -14.544 0.268) 15.369 26.376 ( -3.814 -6.199 -5.487) 9.114 26.471 ( -1.470 -5.940 6.025) 8.588 27.993 ( 0.919 17.206 4.719) 17.865 29.126 ( 9.213 -15.703 -1.163) 18.243 31.681 ( -6.453 0.278 1.661) 6.669 34.033 ( 1.805 26.737 -8.749) 28.190 ======================= Grid point 166 (66/216) ======================= q-point: (-0.27 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.839 ( 0.000 44.686 13.288) 46.619 6.236 ( 0.000 26.377 -4.383) 26.738 6.679 ( 0.000 28.842 10.553) 30.711 7.515 ( -0.000 -41.747 -4.526) 41.992 8.111 ( -0.000 -12.860 -28.185) 30.980 8.472 ( -0.000 -46.286 22.237) 51.350 9.202 ( 0.000 22.821 3.988) 23.167 10.279 ( 0.000 21.570 -9.035) 23.386 10.366 ( 0.000 8.647 -16.729) 18.832 10.451 ( 0.000 12.499 19.569) 23.220 11.189 ( -0.000 -3.132 -2.563) 4.048 11.858 ( -0.000 -1.576 8.689) 8.830 11.863 ( -0.000 -12.527 -0.516) 12.538 12.397 ( 0.000 17.855 -6.108) 18.870 12.775 ( -0.000 -32.877 -14.409) 35.896 13.095 ( 0.000 19.238 -0.285) 19.240 13.435 ( 0.000 1.857 -3.654) 4.099 14.230 ( 0.000 4.634 -5.312) 7.049 14.654 ( -0.000 -2.701 -8.443) 8.864 15.432 ( 0.000 1.937 10.621) 10.796 15.707 ( -0.000 -21.524 9.493) 23.524 15.991 ( -0.000 -6.999 5.505) 8.905 19.009 ( -0.000 -1.431 6.912) 7.059 19.456 ( 0.000 3.622 -13.023) 13.517 21.995 ( -0.000 -5.795 19.097) 19.957 22.455 ( -0.000 -5.609 6.280) 8.420 24.232 ( -0.000 -4.377 6.018) 7.441 24.584 ( 0.000 7.313 1.241) 7.417 25.311 ( 0.000 4.252 -2.833) 5.109 26.383 ( -0.000 -0.171 -11.949) 11.950 26.445 ( -0.000 -3.641 6.556) 7.499 26.690 ( -0.000 -16.761 2.328) 16.922 27.657 ( 0.000 20.138 8.589) 21.893 29.506 ( -0.000 -20.539 -2.914) 20.745 31.625 ( 0.000 1.193 1.341) 1.795 33.577 ( 0.000 27.084 -7.281) 28.045 ======================= Grid point 173 (67/216) ======================= q-point: ( 0.36 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.965 ( 17.502 -0.000 23.047) 28.939 4.620 ( 41.184 -0.000 33.349) 52.993 7.417 ( 13.766 -0.000 -23.451) 27.193 7.617 ( 15.481 -0.000 -2.901) 15.751 8.697 ( 43.433 -0.000 22.147) 48.754 9.336 ( 19.060 -0.000 -8.835) 21.008 9.436 ( -27.937 0.000 -8.411) 29.176 9.747 ( -29.078 0.000 -4.948) 29.496 10.669 ( -8.651 0.000 -8.017) 11.794 10.821 ( 6.990 -0.000 -0.798) 7.035 11.227 ( 7.556 -0.000 1.968) 7.808 11.356 ( -9.697 0.000 10.603) 14.368 11.846 ( -1.694 0.000 -13.187) 13.295 12.268 ( 0.170 -0.000 -1.341) 1.351 12.898 ( -9.122 0.000 2.615) 9.490 13.212 ( -1.401 0.000 -5.545) 5.719 13.841 ( 15.813 -0.000 -17.945) 23.918 14.152 ( 5.573 -0.000 5.064) 7.530 14.370 ( -20.560 0.000 -5.868) 21.381 14.495 ( -2.677 0.000 -4.469) 5.210 15.536 ( -27.269 0.000 5.450) 27.808 18.411 ( 1.480 -0.000 24.203) 24.248 18.465 ( 6.733 -0.000 18.423) 19.615 19.092 ( -7.269 0.000 -14.419) 16.148 21.236 ( -4.604 0.000 9.734) 10.768 22.413 ( -0.353 0.000 0.679) 0.765 24.139 ( -1.821 0.000 19.497) 19.582 24.974 ( 1.332 -0.000 0.086) 1.335 25.223 ( 1.432 -0.000 -5.970) 6.140 25.602 ( -0.972 0.000 0.428) 1.062 25.917 ( 1.190 -0.000 -8.919) 8.998 26.466 ( -5.135 0.000 9.663) 10.942 27.687 ( 9.291 -0.000 4.370) 10.267 29.178 ( 14.212 -0.000 -4.092) 14.789 31.731 ( -0.875 0.000 2.762) 2.898 35.231 ( -3.040 0.000 -16.238) 16.520 ======================= Grid point 174 (68/216) ======================= q-point: ( 0.45 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.378 ( 10.426 -30.575 19.624) 37.797 5.143 ( 32.541 -17.803 33.736) 50.140 7.305 ( 8.109 14.229 -18.788) 24.924 7.794 ( 6.003 0.752 -4.673) 7.644 8.703 ( -5.237 29.884 8.484) 31.503 9.283 ( -7.619 10.191 -11.020) 16.833 9.550 ( 13.311 -10.412 8.381) 18.864 9.662 ( 20.221 -9.535 -7.022) 23.433 10.574 ( -18.883 -4.076 -2.492) 19.478 10.810 ( 3.305 3.800 -4.947) 7.059 11.244 ( -0.727 1.778 3.815) 4.271 11.348 ( -2.023 -2.247 0.315) 3.040 11.870 ( 6.781 0.289 -8.661) 11.003 12.309 ( 3.169 -3.314 1.253) 4.754 12.822 ( -16.716 -4.725 -0.604) 17.381 13.292 ( -1.699 -10.071 -10.636) 14.746 13.835 ( -1.801 18.697 1.364) 18.833 13.998 ( 3.007 0.470 -15.310) 15.610 14.250 ( 5.898 2.543 4.710) 7.964 14.735 ( -6.023 -19.432 -9.870) 22.611 15.296 ( -21.746 -1.070 5.396) 22.432 17.787 ( 2.238 40.966 25.383) 48.244 18.964 ( -1.303 -8.030 -9.245) 12.315 19.103 ( -0.827 -19.148 13.150) 23.243 21.228 ( -3.730 -3.936 9.066) 10.563 22.406 ( 0.788 0.849 2.008) 2.318 24.107 ( -0.930 1.477 17.077) 17.166 25.090 ( 2.002 -7.607 -1.306) 7.973 25.169 ( 0.223 2.948 -4.316) 5.231 25.602 ( -1.630 -1.177 1.940) 2.794 26.004 ( 0.639 -7.598 -10.943) 13.337 26.422 ( -3.686 -0.163 10.368) 11.004 27.835 ( 6.870 -7.716 3.824) 11.015 29.224 ( 9.896 8.385 -4.006) 13.575 31.724 ( -1.228 -0.087 3.041) 3.281 35.106 ( -1.667 10.906 -13.588) 17.503 ======================= Grid point 175 (69/216) ======================= q-point: ( 0.55 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.134 ( 5.878 -45.128 13.153) 47.372 5.851 ( 19.467 -34.206 33.112) 51.434 7.129 ( 8.682 17.139 -11.634) 22.460 7.745 ( 3.336 9.157 -2.307) 10.015 8.046 ( -16.719 27.779 6.926) 33.154 8.815 ( -8.955 27.996 -20.215) 35.674 9.734 ( 9.201 8.556 -1.160) 12.618 10.162 ( 22.403 -15.770 4.554) 27.773 10.517 ( -18.498 -13.330 -0.813) 22.815 10.839 ( 8.585 -1.092 -7.388) 11.379 11.193 ( -6.306 0.717 -0.313) 6.354 11.331 ( -1.501 0.508 -0.981) 1.864 11.958 ( 12.115 0.820 -2.786) 12.459 12.402 ( 3.167 -2.326 5.424) 6.698 12.620 ( -20.261 7.183 -10.511) 23.929 13.485 ( 0.198 -12.401 -13.643) 18.437 13.729 ( 3.938 -7.320 17.646) 19.506 13.943 ( -0.769 8.909 -9.610) 13.127 14.257 ( 2.441 1.462 -5.242) 5.964 14.988 ( 2.112 -11.630 -10.650) 15.910 15.177 ( -15.061 -7.055 1.204) 16.675 17.109 ( 0.594 38.619 27.349) 47.326 18.950 ( -2.570 0.004 -11.671) 11.950 19.447 ( 1.420 -12.765 11.595) 17.304 21.318 ( -2.383 -10.724 11.072) 15.597 22.403 ( 1.323 0.763 4.780) 5.018 24.088 ( -0.374 -0.178 13.815) 13.822 25.010 ( 1.743 9.432 -4.706) 10.684 25.350 ( -1.143 -11.469 -3.486) 12.042 25.645 ( -1.056 -8.478 6.609) 10.801 26.148 ( -0.011 -8.029 -11.897) 14.353 26.403 ( -1.735 -0.731 10.215) 10.387 28.061 ( 3.891 -11.003 2.768) 11.994 29.108 ( 4.973 12.172 -2.603) 13.403 31.704 ( -1.635 0.734 2.953) 3.454 34.843 ( 0.076 18.461 -11.549) 21.776 ======================= Grid point 176 (70/216) ======================= q-point: ( 0.64 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.955 ( -0.000 -44.843 6.548) 45.319 6.657 ( -0.000 -43.579 30.698) 53.305 6.834 ( 0.000 21.470 0.258) 21.472 7.364 ( 0.000 29.368 12.499) 31.918 7.766 ( -0.000 -1.605 -14.342) 14.432 8.193 ( 0.000 38.129 -18.730) 42.481 9.570 ( 0.000 10.184 0.069) 10.184 10.420 ( -0.000 -1.469 -3.740) 4.018 10.713 ( -0.000 -13.990 -9.876) 17.125 10.928 ( 0.000 1.974 5.447) 5.793 11.068 ( 0.000 4.705 -4.381) 6.428 11.405 ( -0.000 -10.913 -1.896) 11.077 11.990 ( 0.000 5.593 8.727) 10.365 12.291 ( 0.000 9.523 -11.518) 14.945 12.520 ( -0.000 -6.050 0.745) 6.096 13.635 ( -0.000 -1.751 -8.499) 8.678 13.686 ( 0.000 16.842 -8.667) 18.941 14.067 ( -0.000 -23.598 20.228) 31.081 14.254 ( -0.000 -0.816 -10.769) 10.800 15.160 ( -0.000 -7.271 -0.804) 7.315 15.261 ( -0.000 -11.112 -14.803) 18.510 16.507 ( 0.000 30.651 28.301) 41.718 18.947 ( -0.000 -1.182 -5.429) 5.557 19.556 ( -0.000 -0.604 1.152) 1.300 21.546 ( -0.000 -16.208 14.781) 21.936 22.400 ( 0.000 0.539 7.116) 7.136 24.108 ( -0.000 -2.315 10.944) 11.186 24.861 ( 0.000 8.829 -2.957) 9.311 25.414 ( 0.000 0.647 -4.077) 4.128 25.926 ( -0.000 -21.476 7.080) 22.613 26.269 ( -0.000 -6.008 -11.994) 13.415 26.414 ( -0.000 -1.640 9.040) 9.187 28.192 ( 0.000 1.784 2.320) 2.927 29.000 ( -0.000 -0.425 -1.021) 1.106 31.674 ( 0.000 1.423 2.550) 2.920 34.479 ( 0.000 23.784 -10.062) 25.824 ======================= Grid point 186 (71/216) ======================= q-point: ( 0.45 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.165 ( 4.126 -0.000 23.165) 23.530 5.255 ( 19.608 -0.000 38.085) 42.836 7.334 ( -8.830 0.000 -32.592) 33.767 8.092 ( 31.230 -0.000 5.033) 31.633 8.780 ( -36.608 0.000 7.085) 37.287 9.383 ( -8.354 0.000 -25.109) 26.462 9.560 ( 30.093 -0.000 28.456) 41.416 9.769 ( 20.342 -0.000 -13.099) 24.194 10.371 ( -16.829 0.000 -1.744) 16.919 10.874 ( 0.575 -0.000 1.999) 2.080 11.210 ( -5.523 0.000 2.380) 6.015 11.369 ( 4.336 -0.000 -1.075) 4.467 11.956 ( 11.019 -0.000 -14.612) 18.301 12.294 ( 1.485 -0.000 -0.957) 1.767 12.582 ( -19.085 0.000 3.564) 19.415 13.194 ( -0.383 0.000 -10.793) 10.800 14.011 ( 2.912 -0.000 -13.832) 14.135 14.115 ( -5.296 0.000 2.608) 5.903 14.295 ( 7.535 -0.000 -3.182) 8.180 14.422 ( -4.513 0.000 -3.990) 6.024 15.120 ( -12.359 0.000 4.080) 13.015 18.430 ( 0.465 -0.000 24.079) 24.084 18.577 ( 3.867 -0.000 23.075) 23.397 18.967 ( -4.426 0.000 -15.273) 15.902 21.175 ( -1.527 0.000 7.628) 7.779 22.416 ( 0.266 -0.000 0.899) 0.937 24.117 ( -0.524 0.000 18.501) 18.508 24.991 ( 0.391 -0.000 0.369) 0.538 25.246 ( 0.736 -0.000 -7.136) 7.174 25.585 ( -0.490 0.000 1.985) 2.044 25.938 ( 0.615 -0.000 -11.776) 11.792 26.392 ( -2.042 0.000 11.102) 11.288 27.815 ( 3.428 -0.000 4.002) 5.270 29.376 ( 5.309 -0.000 -4.987) 7.284 31.718 ( -0.349 0.000 3.494) 3.511 35.180 ( -1.543 0.000 -12.877) 12.969 ======================= Grid point 187 (72/216) ======================= q-point: ( 0.55 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.470 ( -0.000 -31.349 20.392) 37.397 5.506 ( -0.000 -17.453 38.518) 42.288 7.275 ( 0.000 1.842 -32.542) 32.594 8.196 ( 0.000 22.667 8.479) 24.201 8.270 ( 0.000 16.282 10.910) 19.599 9.153 ( 0.000 17.239 -24.836) 30.233 9.892 ( -0.000 -7.335 12.008) 14.071 10.011 ( -0.000 -14.421 -15.548) 21.206 10.238 ( 0.000 0.002 13.160) 13.160 10.862 ( 0.000 0.269 -3.403) 3.414 11.168 ( 0.000 0.892 0.320) 0.948 11.368 ( 0.000 2.536 -1.523) 2.958 12.027 ( -0.000 -0.139 -12.830) 12.831 12.354 ( -0.000 -4.454 1.792) 4.801 12.522 ( -0.000 -4.257 0.983) 4.369 13.277 ( -0.000 -9.579 -13.160) 16.277 13.816 ( 0.000 15.502 8.221) 17.547 14.027 ( 0.000 0.877 -12.530) 12.560 14.339 ( 0.000 4.587 0.206) 4.592 14.669 ( -0.000 -22.642 -10.861) 25.112 15.060 ( -0.000 -0.397 4.084) 4.103 17.812 ( 0.000 41.457 26.576) 49.244 18.940 ( 0.000 0.309 -15.248) 15.252 19.101 ( -0.000 -27.905 19.983) 34.322 21.191 ( -0.000 -3.249 7.995) 8.630 22.416 ( 0.000 0.203 2.133) 2.143 24.099 ( 0.000 1.343 16.760) 16.814 25.109 ( -0.000 -12.465 0.163) 12.466 25.173 ( 0.000 7.813 -6.519) 10.176 25.585 ( -0.000 -0.485 3.011) 3.049 26.012 ( -0.000 -7.178 -12.274) 14.219 26.385 ( -0.000 -0.334 11.078) 11.083 27.904 ( -0.000 -8.024 3.597) 8.794 29.325 ( 0.000 8.662 -4.445) 9.736 31.711 ( 0.000 0.618 3.459) 3.513 35.087 ( 0.000 9.848 -12.173) 15.658 ======================= Grid point 250 (73/216) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 0.000 0.000 56.581) 56.581 2.666 ( 0.000 0.000 60.282) 60.282 4.527 ( 0.000 0.000 96.186) 96.186 7.376 ( 0.000 0.000 -11.824) 11.824 7.804 ( 0.000 0.000 -22.559) 22.559 8.300 ( 0.000 0.000 -43.940) 43.940 8.703 ( 0.000 0.000 -32.001) 32.001 10.790 ( 0.000 0.000 -35.752) 35.752 10.901 ( 0.000 0.000 -29.509) 29.509 11.404 ( 0.000 0.000 11.676) 11.676 11.489 ( 0.000 0.000 8.276) 8.276 11.561 ( 0.000 0.000 -14.672) 14.672 12.016 ( 0.000 0.000 -8.593) 8.593 12.084 ( 0.000 0.000 11.767) 11.767 13.324 ( 0.000 0.000 2.959) 2.959 13.394 ( 0.000 0.000 5.008) 5.008 13.495 ( 0.000 0.000 22.512) 22.512 14.177 ( 0.000 0.000 10.711) 10.711 14.555 ( 0.000 0.000 1.571) 1.571 15.811 ( 0.000 0.000 -7.407) 7.407 16.319 ( 0.000 0.000 -1.367) 1.367 18.592 ( 0.000 0.000 -44.338) 44.338 18.624 ( 0.000 0.000 35.724) 35.724 18.698 ( 0.000 0.000 33.958) 33.958 22.069 ( 0.000 0.000 16.548) 16.548 22.764 ( 0.000 0.000 -1.432) 1.432 24.544 ( 0.000 0.000 -4.221) 4.221 24.715 ( 0.000 0.000 -6.403) 6.403 25.212 ( 0.000 0.000 2.083) 2.083 25.552 ( 0.000 0.000 -1.804) 1.804 26.797 ( 0.000 0.000 -2.090) 2.090 26.970 ( 0.000 0.000 -3.938) 3.938 27.274 ( 0.000 0.000 20.521) 20.521 30.220 ( 0.000 0.000 -12.648) 12.648 31.712 ( 0.000 0.000 -1.726) 1.726 31.755 ( 0.000 0.000 -1.917) 1.917 ======================= Grid point 251 (74/216) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 22.576 -20.842 49.018) 57.852 3.073 ( 12.080 -31.811 53.687) 63.562 4.742 ( 13.202 -22.569 89.457) 93.199 7.437 ( 3.908 -2.537 -15.028) 15.733 7.724 ( -20.175 -6.256 -25.723) 33.284 8.411 ( 20.348 1.165 -30.477) 36.664 8.823 ( 4.036 -11.247 -34.671) 36.673 10.461 ( -2.030 24.108 -34.065) 41.782 10.998 ( -4.857 6.721 -7.888) 11.445 11.037 ( -3.562 13.190 4.311) 14.327 11.523 ( -13.392 -7.201 -5.808) 16.277 11.780 ( 6.918 -9.848 -3.244) 12.465 11.975 ( 0.859 10.531 1.861) 10.729 12.090 ( 10.378 0.938 -8.804) 13.642 13.084 ( -17.003 7.118 5.722) 19.300 13.449 ( -0.962 1.798 7.673) 7.940 13.566 ( 13.728 3.339 15.650) 21.083 14.014 ( -8.168 2.158 11.908) 14.600 14.748 ( -6.717 -15.824 1.683) 17.273 15.649 ( -6.454 10.397 -7.513) 14.360 16.362 ( 4.641 1.975 -1.689) 5.320 18.355 ( -5.803 15.296 24.088) 29.118 18.638 ( 5.155 -0.208 -31.674) 32.092 18.946 ( 6.375 -14.065 31.652) 35.218 22.091 ( -2.932 -4.174 15.745) 16.551 22.751 ( -4.185 -0.737 -0.734) 4.312 24.531 ( 1.261 2.139 -2.999) 3.894 24.766 ( 2.083 -4.493 -6.295) 8.009 25.024 ( -0.119 15.806 9.008) 18.193 25.634 ( -1.592 -7.041 -4.792) 8.664 26.747 ( -0.531 4.258 -0.985) 4.403 27.006 ( -4.370 -5.566 -1.405) 7.215 27.295 ( 2.772 -1.760 19.429) 19.704 29.790 ( -69.069 -7.404 1.394) 69.479 31.788 ( 2.715 -3.262 -2.410) 4.881 32.218 ( 73.968 4.498 -19.095) 76.525 ======================= Grid point 252 (75/216) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 25.941 -30.174 36.553) 54.032 3.745 ( 14.775 -31.404 50.839) 61.556 5.621 ( 27.581 -50.371 63.384) 85.531 7.439 ( -4.573 0.534 -25.412) 25.826 7.737 ( -5.886 -8.500 -16.675) 19.620 8.616 ( 7.050 -8.830 -19.868) 22.856 9.082 ( 12.170 -3.706 -29.313) 31.955 10.053 ( 3.421 19.462 -29.076) 35.155 10.629 ( -9.339 12.456 12.546) 19.994 10.921 ( -4.134 7.666 -2.642) 9.102 11.499 ( -9.449 -1.552 -2.832) 9.986 11.735 ( 2.693 16.035 2.744) 16.490 11.945 ( 4.512 -3.094 -1.265) 5.615 12.238 ( 8.424 -5.019 -23.748) 25.693 12.817 ( -14.661 3.779 -2.010) 15.273 13.227 ( -5.185 14.981 7.287) 17.448 13.724 ( 14.979 -2.165 11.747) 19.159 13.980 ( -8.387 -4.052 7.657) 12.058 14.859 ( -14.430 -8.872 7.136) 18.381 15.408 ( 1.658 14.022 -7.437) 15.958 16.283 ( -7.847 5.128 -1.249) 9.457 18.001 ( -7.208 18.040 24.275) 31.091 18.693 ( 3.658 -0.837 -27.764) 28.016 19.260 ( 11.178 -11.189 25.216) 29.766 22.150 ( -3.999 -6.530 15.488) 17.277 22.704 ( -7.913 -0.736 1.604) 8.107 24.497 ( 0.020 2.511 1.163) 2.768 24.758 ( -0.221 10.029 9.992) 14.159 24.936 ( 8.043 -5.580 -5.482) 11.219 25.725 ( -3.411 -6.327 -7.179) 10.159 26.679 ( -1.273 2.014 1.532) 2.833 27.032 ( -6.266 -3.098 4.777) 8.467 27.417 ( 8.738 -5.819 13.912) 17.428 29.340 ( -53.047 -9.906 3.595) 54.083 31.902 ( 1.544 -7.292 -2.846) 7.979 32.727 ( 59.883 13.887 -22.884) 65.594 ======================= Grid point 253 (76/216) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.234 ( 22.261 -30.924 25.084) 45.619 4.508 ( 21.159 -36.129 38.861) 57.124 6.672 ( 17.361 -33.373 34.268) 50.887 7.392 ( -15.701 -3.898 -25.244) 29.984 7.915 ( 19.683 -13.769 -0.732) 24.033 8.792 ( -2.508 -2.484 -14.645) 15.064 9.027 ( -2.666 7.190 -13.742) 15.737 9.959 ( 17.887 9.048 -23.211) 30.669 10.495 ( -5.062 -4.442 4.419) 8.055 10.748 ( -5.512 2.757 0.590) 6.191 11.357 ( -4.567 8.709 9.455) 13.642 11.538 ( 1.018 9.457 -3.396) 10.099 12.027 ( 6.399 0.928 -4.752) 8.025 12.262 ( -2.824 4.662 -11.432) 12.665 12.784 ( 0.792 -7.828 -20.887) 22.319 12.970 ( -5.011 6.658 3.169) 8.916 13.847 ( 11.535 4.971 4.218) 13.250 13.930 ( -10.128 -0.293 3.043) 10.580 14.763 ( -12.532 3.151 5.825) 14.174 15.240 ( 1.124 6.663 4.032) 7.869 16.045 ( -16.130 8.469 -3.787) 18.608 17.621 ( -7.068 16.987 22.669) 29.196 18.739 ( 2.299 -1.156 -20.505) 20.666 19.515 ( 10.345 -5.572 17.132) 20.774 22.232 ( -3.176 -6.988 16.370) 18.081 22.629 ( -9.083 -0.737 5.944) 10.880 24.456 ( -0.995 1.213 6.294) 6.486 24.628 ( 1.430 5.951 6.908) 9.229 25.152 ( 11.577 -7.225 -8.032) 15.835 25.783 ( -5.693 -5.518 -9.469) 12.349 26.658 ( -0.295 -0.360 4.087) 4.113 26.994 ( -6.780 -0.322 8.684) 11.022 27.646 ( 13.607 -7.315 10.101) 18.458 29.042 ( -37.854 -6.360 2.440) 38.462 32.056 ( 0.184 -9.158 -3.473) 9.796 32.956 ( 40.960 15.939 -18.657) 47.748 ======================= Grid point 254 (77/216) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.967 ( 20.231 -29.563 13.735) 38.366 5.351 ( 21.236 -36.498 26.130) 49.658 6.864 ( -3.967 15.273 9.529) 18.433 7.245 ( -14.446 0.460 -20.846) 25.367 8.474 ( 6.261 4.051 4.445) 8.682 8.731 ( 6.657 -21.668 -0.258) 22.669 9.110 ( 3.863 -15.129 1.208) 15.661 9.967 ( 7.793 5.219 -14.102) 16.937 10.467 ( 10.194 7.178 4.689) 13.320 10.837 ( -5.901 -12.359 -5.873) 14.901 11.184 ( -3.474 6.780 13.271) 15.302 11.378 ( -0.322 9.114 -6.238) 11.049 11.952 ( -1.360 4.566 -10.558) 11.583 12.308 ( 5.921 -5.697 -3.133) 8.794 12.797 ( -8.524 0.646 -0.759) 8.582 13.049 ( 10.713 -6.988 -23.166) 26.463 13.709 ( 0.691 15.682 -4.724) 16.393 13.832 ( -8.091 1.718 0.564) 8.291 14.607 ( -0.727 5.346 0.570) 5.426 15.176 ( -4.786 -0.572 16.432) 17.124 15.702 ( -16.901 11.046 -7.162) 21.423 17.308 ( -4.958 11.875 20.232) 23.978 18.777 ( 1.478 -1.041 -13.582) 13.702 19.651 ( 6.087 -1.189 9.616) 11.442 22.322 ( -1.195 -5.691 16.649) 17.636 22.559 ( -7.302 -0.560 11.570) 13.693 24.445 ( -0.839 -0.912 7.813) 7.910 24.561 ( 1.416 3.880 4.948) 6.446 25.391 ( 13.311 -5.769 -10.009) 17.626 25.795 ( -8.298 -3.714 -11.571) 14.715 26.682 ( 1.244 -1.709 6.861) 7.179 26.918 ( -6.374 1.381 10.120) 12.040 27.919 ( 16.873 -6.500 8.171) 19.842 28.789 ( -28.475 -1.988 2.795) 28.680 32.204 ( -1.087 -8.212 -4.120) 9.252 33.026 ( 24.685 12.660 -14.809) 31.447 ======================= Grid point 255 (78/216) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.636 ( 16.956 -25.992 7.593) 31.949 6.093 ( 11.530 -16.486 15.225) 25.229 6.441 ( -9.052 6.565 -0.326) 11.186 6.918 ( -12.118 23.768 -5.373) 27.214 8.486 ( 9.598 -2.839 5.602) 11.470 8.821 ( -15.503 -0.574 -7.207) 17.106 9.633 ( 9.233 -17.269 -1.307) 19.626 9.937 ( 5.131 3.898 1.405) 6.595 10.561 ( 13.637 -2.930 7.048) 15.628 10.870 ( -10.355 3.737 0.084) 11.009 11.037 ( 3.568 3.724 7.410) 9.028 11.313 ( -2.731 -2.295 -9.274) 9.936 11.991 ( 1.032 -9.531 -5.806) 11.207 12.291 ( -2.733 13.359 1.252) 13.693 12.804 ( -2.684 -9.624 -16.388) 19.193 13.158 ( 4.583 6.625 -6.777) 10.527 13.551 ( 8.989 1.941 -7.366) 11.782 13.695 ( -11.300 2.767 -6.979) 13.566 14.566 ( 2.382 1.429 -4.776) 5.525 15.144 ( -3.852 -0.312 16.903) 17.340 15.416 ( -7.381 5.370 -4.638) 10.239 17.132 ( -1.857 4.360 18.111) 18.721 18.801 ( 0.580 -0.414 -9.118) 9.146 19.695 ( 1.813 0.109 4.846) 5.176 22.395 ( 0.596 -2.685 14.795) 15.048 22.506 ( -3.520 0.235 17.138) 17.497 24.464 ( -0.591 -1.867 7.464) 7.717 24.516 ( 0.845 2.613 4.944) 5.656 25.595 ( 12.401 -2.744 -11.340) 17.027 25.741 ( -10.412 -0.781 -13.004) 16.677 26.736 ( 2.694 -2.072 9.545) 10.132 26.831 ( -4.619 2.010 9.998) 11.195 28.180 ( 15.340 -3.878 6.410) 17.071 28.554 ( -18.725 1.048 4.293) 19.240 32.300 ( -0.808 -3.501 -4.578) 5.820 33.032 ( 8.511 5.011 -12.782) 16.153 ======================= Grid point 262 (79/216) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 23.924 -0.000 55.217) 60.177 2.973 ( 42.831 -0.000 42.655) 60.448 4.747 ( 26.880 -0.000 92.171) 96.011 7.459 ( -21.018 0.000 -31.641) 37.986 7.479 ( 10.264 -0.000 -10.955) 15.012 8.669 ( -2.566 0.000 -29.612) 29.723 8.753 ( 31.708 -0.000 -32.834) 45.645 10.771 ( -2.891 0.000 -33.275) 33.400 10.822 ( -8.609 0.000 -25.095) 26.530 11.192 ( -18.059 0.000 2.349) 18.211 11.305 ( -5.307 0.000 9.336) 10.739 11.630 ( -3.255 0.000 -2.572) 4.149 12.146 ( 8.506 -0.000 -11.285) 14.132 12.253 ( 16.342 -0.000 3.089) 16.631 12.991 ( -20.777 0.000 10.697) 23.369 13.387 ( -0.870 0.000 4.974) 5.050 13.783 ( 15.998 -0.000 12.373) 20.224 13.877 ( -25.006 0.000 18.368) 31.027 14.536 ( -1.596 0.000 1.178) 1.984 15.569 ( -18.546 0.000 -7.433) 19.980 16.506 ( 9.123 -0.000 -4.757) 10.288 18.445 ( -6.676 0.000 -19.016) 20.154 18.762 ( 5.758 -0.000 32.922) 33.422 18.819 ( 11.186 -0.000 10.929) 15.639 22.006 ( -6.176 0.000 16.099) 17.242 22.692 ( -6.510 0.000 -1.012) 6.588 24.582 ( 3.192 -0.000 -2.247) 3.903 24.740 ( 2.374 -0.000 -6.288) 6.722 25.198 ( -1.280 0.000 1.538) 2.001 25.522 ( -2.800 0.000 -2.032) 3.460 26.816 ( 1.378 -0.000 -0.020) 1.379 26.818 ( -16.927 0.000 6.460) 18.118 27.304 ( 3.384 -0.000 18.607) 18.912 29.061 ( -52.621 0.000 16.567) 55.168 31.763 ( 0.826 -0.000 -0.972) 1.276 33.076 ( 75.658 -0.000 -41.164) 86.131 ======================= Grid point 263 (80/216) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( 34.152 -20.242 43.078) 58.582 3.508 ( 31.361 -14.749 43.805) 55.856 5.327 ( 45.870 -24.601 74.094) 90.549 7.288 ( -15.410 -1.786 -31.044) 34.705 7.669 ( 13.616 -6.921 -10.860) 18.741 8.610 ( 1.155 2.130 -25.209) 25.325 9.153 ( 24.789 -7.498 -29.594) 39.326 10.371 ( -6.953 20.031 -22.430) 30.866 10.834 ( -10.208 15.172 -0.397) 18.291 10.935 ( -6.355 0.659 -8.496) 10.631 11.257 ( -13.053 -6.048 -1.035) 14.423 11.760 ( -4.811 -12.732 -2.956) 13.927 12.095 ( 5.013 11.612 -7.849) 14.885 12.378 ( 17.762 5.293 -8.386) 20.342 12.723 ( -16.985 4.301 7.206) 18.945 13.371 ( -8.504 6.185 7.076) 12.675 13.669 ( -8.209 -8.083 18.430) 21.735 13.933 ( 7.468 0.423 5.626) 9.360 14.586 ( -7.779 -6.929 3.889) 11.120 15.401 ( -17.773 -2.351 -10.032) 20.544 16.442 ( 0.523 11.892 -0.995) 11.945 18.217 ( -6.880 16.245 4.004) 18.090 18.747 ( 4.612 2.475 -8.415) 9.910 19.146 ( 12.011 -15.341 27.844) 33.984 21.984 ( -7.590 -5.529 15.620) 18.226 22.620 ( -7.782 0.188 0.246) 7.788 24.560 ( 1.029 4.305 1.813) 4.784 24.831 ( 3.588 -4.145 -4.634) 7.179 25.035 ( 1.874 10.737 3.904) 11.577 25.580 ( -3.560 -6.671 -5.505) 9.353 26.633 ( -14.674 -1.539 8.505) 17.030 26.884 ( -4.572 -5.608 5.428) 9.045 27.391 ( 6.798 -4.879 14.989) 17.167 28.765 ( -25.738 -6.600 9.923) 28.363 31.807 ( 0.697 -3.936 -0.365) 4.014 33.584 ( 53.974 14.638 -40.215) 68.882 ======================= Grid point 264 (81/216) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.092 ( 32.915 -19.659 30.776) 49.163 4.196 ( 32.790 -30.004 38.396) 58.734 6.294 ( 34.895 -33.391 47.767) 67.929 7.227 ( -5.802 -2.746 -24.950) 25.762 7.956 ( 18.939 -8.704 -7.511) 22.155 8.631 ( -1.057 -4.177 -18.524) 19.018 9.273 ( 2.246 13.401 -19.204) 23.524 10.175 ( 5.002 0.691 -23.547) 24.082 10.477 ( -1.474 12.866 7.712) 15.073 10.793 ( -7.874 6.055 1.011) 9.984 11.250 ( -13.949 -7.045 -6.929) 17.095 11.743 ( -0.664 10.928 1.314) 11.027 12.069 ( 2.178 -4.498 -7.922) 9.366 12.370 ( 0.732 6.658 0.741) 6.739 12.642 ( 2.706 -3.387 -17.953) 18.469 13.100 ( -7.055 10.995 3.752) 13.592 13.766 ( -7.460 -4.551 8.186) 11.974 14.003 ( 7.918 -2.454 5.236) 9.804 14.562 ( -14.381 -3.019 9.107) 17.288 15.287 ( -13.212 -1.293 -11.549) 17.596 16.171 ( -3.949 16.316 3.470) 17.142 17.822 ( -9.735 18.593 15.119) 25.866 18.756 ( 1.868 0.301 -15.859) 15.971 19.485 ( 10.277 -9.842 21.416) 25.712 22.043 ( -6.792 -9.318 16.296) 19.962 22.541 ( -7.004 0.160 3.770) 7.955 24.485 ( -1.097 3.627 8.093) 8.936 24.770 ( 1.387 8.328 3.401) 9.102 25.125 ( 10.163 -8.311 -7.178) 14.962 25.640 ( -4.717 -5.056 -7.772) 10.403 26.576 ( -10.230 -5.373 6.674) 13.344 26.902 ( -6.121 -2.586 9.401) 11.512 27.607 ( 10.057 -9.995 10.303) 17.527 28.671 ( -13.896 -3.430 4.178) 14.910 31.901 ( -0.898 -6.722 -0.340) 6.791 33.703 ( 37.170 21.731 -29.930) 52.437 ======================= Grid point 265 (82/216) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.793 ( 32.869 -23.034 16.397) 43.357 5.036 ( 31.815 -29.528 30.699) 53.165 6.942 ( 0.812 -18.613 5.106) 19.318 7.162 ( 5.986 11.880 -1.527) 13.390 8.398 ( 13.997 -17.771 -1.300) 22.659 8.633 ( -10.615 4.968 -8.393) 14.415 9.054 ( 11.739 1.678 -0.931) 11.894 10.095 ( -3.803 4.889 -11.752) 13.284 10.483 ( -6.029 -3.525 -5.524) 8.904 10.732 ( 12.443 -1.942 -0.771) 12.617 11.212 ( -7.597 -1.244 0.569) 7.720 11.527 ( -2.446 11.253 -1.157) 11.574 12.081 ( -6.999 4.809 -3.981) 9.379 12.294 ( 9.274 1.572 -0.707) 9.433 12.708 ( -7.085 -0.817 -12.898) 14.738 13.029 ( 9.356 -4.972 -15.860) 19.074 13.693 ( -10.838 0.736 -0.686) 10.884 14.044 ( 5.100 10.543 2.694) 12.018 14.486 ( -12.168 -7.375 12.588) 18.998 15.175 ( -9.262 1.042 -6.972) 11.640 15.835 ( -4.023 17.310 4.426) 18.314 17.431 ( -11.236 13.915 17.898) 25.303 18.773 ( 0.447 -0.902 -13.888) 13.924 19.665 ( 4.369 -2.863 12.856) 13.877 22.162 ( -4.233 -10.612 17.580) 20.966 22.487 ( -4.003 -0.278 9.048) 9.898 24.432 ( -1.271 1.020 10.838) 10.959 24.667 ( 2.406 6.004 1.726) 6.695 25.388 ( 11.013 -9.008 -9.922) 17.346 25.661 ( -5.772 -3.400 -9.492) 11.618 26.599 ( -6.271 -6.541 6.507) 11.156 26.862 ( -6.332 -0.347 11.296) 12.954 27.903 ( 11.116 -11.373 7.310) 17.503 28.582 ( -7.896 1.317 2.994) 8.546 32.008 ( -4.108 -8.308 -0.787) 9.302 33.621 ( 25.653 22.892 -21.687) 40.650 ======================= Grid point 266 (83/216) ======================= q-point: ( 0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.480 ( 30.146 -19.540 7.023) 36.605 5.831 ( 26.817 -29.027 21.669) 45.070 6.712 ( -6.752 25.057 -5.784) 26.588 7.190 ( 5.665 9.628 -0.677) 11.192 8.372 ( -15.740 -1.069 9.857) 18.602 8.596 ( -11.470 -9.599 -5.032) 15.780 9.484 ( 21.311 -14.466 1.949) 25.831 10.030 ( -0.575 1.787 -8.518) 8.722 10.478 ( -9.441 -7.103 1.049) 11.861 10.902 ( 10.237 1.022 -3.740) 10.947 11.143 ( -0.142 5.440 8.095) 9.754 11.364 ( 1.506 2.527 -6.871) 7.475 11.919 ( -2.599 3.214 -5.637) 6.990 12.434 ( 5.051 -0.071 2.896) 5.823 12.591 ( -9.683 -2.769 -10.292) 14.400 13.255 ( 6.839 -3.868 -21.116) 22.530 13.533 ( -11.718 4.083 -7.076) 14.285 13.837 ( 4.317 11.545 3.015) 12.689 14.538 ( -4.390 -4.364 0.637) 6.223 15.102 ( -5.029 -1.856 1.772) 5.646 15.546 ( 2.403 13.246 5.923) 14.708 17.147 ( -10.775 6.040 18.966) 22.634 18.792 ( -0.024 -0.970 -10.620) 10.664 19.692 ( -1.933 0.191 5.661) 5.985 22.312 ( -0.740 -9.281 17.566) 19.881 22.467 ( -0.746 0.017 14.099) 14.118 24.422 ( -1.227 -1.109 10.330) 10.461 24.601 ( 2.450 4.632 2.023) 5.618 25.581 ( -4.312 -3.993 -9.372) 11.062 25.685 ( 7.210 -3.527 -13.447) 15.661 26.670 ( -2.903 -6.688 7.998) 10.823 26.801 ( -5.377 0.389 11.235) 12.462 28.150 ( 0.562 -6.398 6.150) 8.892 28.521 ( 6.736 1.030 3.472) 7.648 32.095 ( -8.545 -8.880 -1.589) 12.426 33.443 ( 16.525 21.695 -16.531) 31.891 ======================= Grid point 267 (84/216) ======================= q-point: ( 0.55 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.952 ( 8.213 7.560 5.607) 12.492 6.157 ( 6.479 9.441 10.968) 15.856 6.607 ( 15.794 -14.375 1.881) 21.439 6.826 ( 6.526 20.438 0.465) 21.459 8.283 ( -22.839 -5.675 0.122) 23.533 8.805 ( 6.982 -18.312 6.986) 20.806 9.708 ( 0.109 -0.179 -17.225) 17.226 9.929 ( -8.820 7.417 3.861) 12.154 10.424 ( -17.144 0.830 3.749) 17.569 10.911 ( 6.058 3.425 4.788) 8.447 11.029 ( 0.147 3.904 3.862) 5.494 11.487 ( 13.992 1.910 -8.592) 16.530 12.011 ( 1.622 -11.979 1.671) 12.204 12.227 ( -2.874 10.437 -3.759) 11.460 12.741 ( -4.761 -11.131 -13.296) 17.982 13.192 ( 0.268 8.841 -3.280) 9.434 13.374 ( -13.130 0.087 -10.379) 16.738 13.836 ( 12.107 1.572 -8.063) 14.631 14.506 ( -6.818 0.625 -8.472) 10.893 15.164 ( 4.497 -5.457 4.911) 8.609 15.489 ( 13.599 2.337 9.188) 16.577 17.022 ( -9.488 -3.381 21.405) 23.657 18.803 ( 0.620 0.105 -9.915) 9.934 19.647 ( -6.654 -0.313 2.855) 7.247 22.430 ( 1.069 -1.273 14.770) 14.863 22.487 ( 3.059 -3.591 17.976) 18.584 24.436 ( -1.667 -1.881 8.484) 8.848 24.555 ( 2.486 3.521 3.781) 5.734 25.504 ( -11.321 1.056 -9.046) 14.529 25.844 ( 10.638 -1.668 -14.979) 18.448 26.717 ( -3.802 -0.276 11.078) 11.715 26.801 ( 0.463 -5.509 7.812) 9.570 28.078 ( -12.751 3.708 8.248) 15.633 28.737 ( 23.820 -4.879 1.852) 24.385 32.137 ( -13.577 -8.453 -2.649) 16.211 33.210 ( 7.949 19.328 -13.389) 24.820 ======================= Grid point 268 (85/216) ======================= q-point: (-0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.415 ( -4.442 35.801 12.896) 38.311 5.831 ( -12.162 36.901 17.072) 42.438 6.709 ( 12.129 -9.975 13.763) 20.881 7.271 ( 22.760 -15.943 -20.246) 34.382 8.218 ( -13.169 -11.524 -0.707) 17.514 9.110 ( 7.717 8.596 -3.065) 11.951 9.326 ( -16.209 21.670 9.087) 28.546 9.817 ( -7.429 -2.615 -14.435) 16.444 10.213 ( -17.181 -2.538 3.633) 17.743 10.895 ( -2.513 -3.103 12.736) 13.347 11.133 ( 7.333 -7.299 0.177) 10.348 11.457 ( 8.382 13.261 -10.042) 18.627 11.974 ( -0.021 3.513 -8.559) 9.252 12.298 ( -2.634 -1.467 3.839) 4.882 12.854 ( 1.774 -5.040 -16.183) 17.042 12.984 ( -10.390 3.517 -6.142) 12.572 13.428 ( -2.106 -11.775 -4.714) 12.857 13.926 ( 10.243 0.349 -9.281) 13.827 14.442 ( -8.412 -3.612 -5.673) 10.770 15.308 ( 10.857 -0.017 11.849) 16.071 15.717 ( 20.743 -7.952 0.999) 22.237 17.080 ( -7.944 -13.268 25.694) 29.988 18.800 ( 2.180 1.859 -13.575) 13.875 19.576 ( -10.095 -0.816 5.534) 11.541 22.414 ( 1.819 3.406 16.765) 17.203 22.606 ( 6.131 -3.362 13.196) 14.934 24.446 ( -1.644 -1.039 5.912) 6.224 24.535 ( 1.946 1.142 6.571) 6.948 25.346 ( -11.591 3.888 -7.971) 14.595 25.931 ( 7.990 2.189 -14.411) 16.622 26.675 ( -2.913 0.576 8.579) 9.078 26.923 ( 4.021 -5.158 7.363) 9.848 27.855 ( -13.795 6.051 11.120) 18.723 29.086 ( 30.436 -4.134 -0.636) 30.723 32.112 ( -18.625 -6.933 -3.781) 20.230 32.939 ( -1.058 16.082 -11.399) 19.741 ======================= Grid point 269 (86/216) ======================= q-point: (-0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.717 ( -5.264 39.821 23.892) 46.736 5.009 ( -13.232 41.272 29.425) 52.386 6.872 ( -1.356 0.764 14.529) 14.612 7.625 ( 15.164 2.846 -25.472) 29.780 8.185 ( -8.830 26.936 12.629) 31.033 8.591 ( -5.506 -7.172 -3.128) 9.567 9.214 ( 6.469 9.983 -16.019) 19.953 9.658 ( -21.214 0.297 -21.833) 30.444 10.357 ( -0.564 -19.258 9.679) 21.561 10.959 ( 4.980 4.286 -0.588) 6.596 11.216 ( -1.116 4.769 12.758) 13.666 11.357 ( -1.533 -8.437 -3.280) 9.181 12.013 ( 5.066 -1.807 -12.937) 14.011 12.231 ( -1.817 -0.457 -8.465) 8.670 12.764 ( -8.690 1.329 2.419) 9.118 13.037 ( 7.026 -0.211 -20.655) 21.819 13.587 ( -8.357 -9.569 -1.728) 12.821 14.047 ( 11.052 -1.194 1.518) 11.219 14.525 ( -7.751 -17.097 -4.637) 19.336 15.349 ( 10.276 7.427 13.557) 18.562 16.080 ( 18.600 -9.075 -4.179) 21.114 17.318 ( -3.948 -20.931 29.957) 36.758 18.777 ( 2.611 3.746 -21.013) 21.504 19.469 ( -11.251 1.209 12.568) 16.912 22.359 ( 2.002 5.064 16.688) 17.554 22.712 ( 7.097 -1.264 8.034) 10.794 24.447 ( -0.520 -0.715 4.087) 4.182 24.553 ( 0.500 -1.783 8.988) 9.176 25.156 ( -9.446 5.738 -6.611) 12.878 25.931 ( 5.065 5.101 -12.381) 14.317 26.646 ( -1.747 -0.068 5.384) 5.660 27.042 ( 5.765 -2.726 5.735) 8.577 27.618 ( -12.384 6.106 13.723) 19.467 29.478 ( 37.670 -2.634 -3.703) 37.943 32.005 ( -23.856 -4.894 -4.571) 24.778 32.635 ( -9.743 13.098 -9.876) 19.079 ======================= Grid point 270 (87/216) ======================= q-point: (-0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( -7.040 42.342 34.640) 55.157 4.222 ( -7.506 36.809 43.850) 57.741 6.387 ( -9.100 52.862 43.660) 69.162 7.377 ( -7.014 1.702 -16.495) 18.005 8.065 ( 22.268 9.499 -17.546) 29.899 8.652 ( -15.260 1.420 -15.114) 21.525 9.097 ( 3.132 7.867 -24.670) 26.083 9.635 ( -10.224 -19.800 -25.724) 34.034 10.659 ( 9.064 -3.902 5.763) 11.428 10.789 ( -2.298 0.263 2.531) 3.429 11.355 ( -2.317 -16.013 15.498) 22.404 11.504 ( -1.524 -9.605 -1.182) 9.796 12.022 ( 3.552 4.465 -8.877) 10.552 12.269 ( -1.770 1.768 -25.374) 25.497 12.772 ( 0.227 -9.995 -5.088) 11.218 13.136 ( 9.656 -3.728 -0.426) 10.359 13.564 ( -13.426 -1.541 4.869) 14.364 14.121 ( 6.373 3.003 9.190) 11.580 14.872 ( -0.430 -25.412 -5.821) 26.074 15.258 ( 2.763 10.226 10.976) 15.254 16.336 ( 9.789 -3.528 -5.826) 11.925 17.691 ( 0.652 -23.044 33.036) 40.285 18.721 ( 0.615 4.447 -30.674) 31.001 19.313 ( -7.642 5.847 21.305) 23.377 22.282 ( 1.503 5.776 15.631) 16.732 22.781 ( 4.800 0.303 3.581) 5.997 24.464 ( -0.049 -1.507 1.185) 1.917 24.615 ( 0.011 -5.726 12.568) 13.811 24.977 ( -5.112 6.348 -5.821) 10.016 25.865 ( 2.277 6.531 -9.637) 11.862 26.646 ( -0.706 -1.428 2.227) 2.738 27.120 ( 5.272 0.372 2.085) 5.682 27.417 ( -8.269 4.970 17.059) 19.598 29.919 ( 41.552 -2.602 -8.715) 42.536 31.811 ( -29.836 -3.508 -3.977) 30.303 32.301 ( -11.752 12.848 -7.545) 18.976 ======================= Grid point 271 (88/216) ======================= q-point: (-0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 0.000 38.199 43.735) 58.068 3.599 ( 0.000 32.869 53.118) 62.465 5.336 ( 0.000 53.637 68.161) 86.734 7.414 ( -0.000 -3.964 -20.197) 20.582 8.007 ( 0.000 11.001 -20.531) 23.293 8.383 ( 0.000 11.849 -23.272) 26.115 8.976 ( 0.000 8.277 -33.584) 34.589 10.027 ( -0.000 -26.606 -31.203) 41.006 10.743 ( -0.000 -11.203 14.733) 18.509 10.954 ( -0.000 -8.946 -5.235) 10.365 11.622 ( -0.000 -14.900 13.278) 19.958 11.634 ( -0.000 -4.969 -5.020) 7.063 11.959 ( 0.000 4.543 -0.976) 4.646 12.122 ( 0.000 9.449 -31.632) 33.013 13.028 ( -0.000 -13.555 -5.902) 14.785 13.318 ( -0.000 -8.217 13.121) 15.482 13.467 ( 0.000 0.061 11.402) 11.402 14.082 ( 0.000 4.494 11.005) 11.888 15.045 ( 0.000 13.682 6.372) 15.093 15.335 ( -0.000 -24.680 -6.331) 25.479 16.387 ( 0.000 2.393 -4.112) 4.758 18.075 ( -0.000 -20.096 34.897) 40.270 18.652 ( 0.000 3.281 -39.217) 39.354 19.129 ( 0.000 10.823 28.206) 30.211 22.192 ( 0.000 5.607 15.003) 16.016 22.792 ( 0.000 1.178 0.719) 1.380 24.493 ( -0.000 -1.803 -1.834) 2.572 24.769 ( -0.000 -12.279 14.540) 19.031 24.846 ( 0.000 5.897 -6.045) 8.445 25.760 ( 0.000 6.756 -7.026) 9.748 26.683 ( -0.000 -3.185 -0.259) 3.195 27.111 ( 0.000 3.998 -2.818) 4.891 27.310 ( 0.000 2.495 20.885) 21.033 30.254 ( -0.000 -2.435 -16.181) 16.363 31.630 ( -0.000 -1.377 -0.277) 1.404 32.014 ( 0.000 11.846 -4.431) 12.647 ======================= Grid point 274 (89/216) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 33.592 -0.000 46.010) 56.968 3.774 ( 38.082 -0.000 39.261) 54.696 5.667 ( 61.714 -0.000 65.616) 90.078 7.144 ( -9.562 0.000 -30.767) 32.219 7.759 ( 17.164 -0.000 -9.267) 19.506 8.643 ( 0.971 -0.000 -25.055) 25.074 9.348 ( 24.980 -0.000 -28.075) 37.579 10.535 ( -18.009 0.000 -7.814) 19.631 10.673 ( -5.868 0.000 -23.131) 23.864 10.901 ( -11.147 0.000 -2.956) 11.532 11.275 ( 1.423 -0.000 -1.403) 1.999 11.452 ( -13.775 0.000 1.345) 13.840 12.218 ( -3.186 0.000 -12.498) 12.898 12.587 ( -13.324 0.000 8.399) 15.751 12.661 ( 17.754 -0.000 -7.281) 19.189 13.303 ( -13.070 0.000 7.315) 14.978 13.452 ( -9.240 0.000 19.915) 21.954 14.040 ( 9.582 -0.000 6.875) 11.793 14.508 ( -0.998 0.000 1.060) 1.456 15.143 ( -24.447 0.000 -10.055) 26.434 16.511 ( -8.968 0.000 -1.135) 9.039 18.347 ( -3.098 0.000 -24.423) 24.618 18.885 ( 5.946 -0.000 31.876) 32.426 19.031 ( 9.799 -0.000 18.221) 20.688 21.844 ( -9.663 0.000 15.082) 17.912 22.552 ( -6.629 0.000 -0.160) 6.631 24.635 ( 1.478 -0.000 5.446) 5.643 24.801 ( 3.635 -0.000 -6.045) 7.053 25.165 ( -1.952 0.000 0.108) 1.955 25.464 ( -2.290 0.000 -4.437) 4.993 26.379 ( -22.393 0.000 18.589) 29.103 26.824 ( -0.955 0.000 5.550) 5.632 27.421 ( 8.496 -0.000 13.479) 15.933 28.610 ( -0.343 0.000 3.826) 3.841 31.785 ( 1.266 -0.000 1.466) 1.937 34.165 ( 36.250 -0.000 -44.172) 57.142 ======================= Grid point 275 (90/216) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.029 ( 31.619 -19.837 41.229) 55.616 4.247 ( 40.665 -11.285 32.634) 53.348 6.351 ( 48.676 -7.639 45.069) 66.775 7.160 ( 6.778 -6.935 -21.903) 23.953 7.981 ( 16.225 -5.308 -7.433) 18.619 8.659 ( 6.829 1.344 -20.048) 21.222 9.471 ( 1.182 7.166 -23.779) 24.863 10.252 ( -2.707 8.581 -9.933) 13.403 10.672 ( -5.419 4.309 -7.482) 10.194 10.788 ( -8.395 1.885 -1.107) 8.675 11.020 ( -9.251 3.502 -2.296) 10.155 11.666 ( -4.184 -17.680 -6.355) 19.248 12.056 ( -10.000 8.014 -7.750) 14.976 12.390 ( -11.090 4.185 4.288) 12.605 12.811 ( 20.203 4.891 -12.298) 24.152 13.134 ( -11.610 3.826 7.769) 14.485 13.564 ( -2.222 -13.284 11.562) 17.750 14.053 ( 1.906 5.466 0.977) 5.870 14.462 ( -4.819 1.960 6.739) 8.514 15.005 ( -20.541 -9.512 -12.474) 25.846 16.318 ( -13.533 7.501 2.814) 15.726 18.121 ( -2.090 21.129 -1.429) 21.280 18.801 ( 0.773 5.257 1.116) 5.429 19.365 ( 9.450 -15.997 25.840) 31.827 21.809 ( -9.737 -7.035 15.177) 19.356 22.492 ( -4.452 0.298 1.666) 4.763 24.563 ( -0.662 6.174 10.220) 11.958 24.887 ( 2.302 0.528 -3.245) 4.014 25.098 ( 3.591 -0.797 -1.995) 4.185 25.516 ( -2.254 -5.256 -7.888) 9.743 26.276 ( -17.345 -9.631 13.535) 24.017 26.821 ( -3.158 -1.347 9.117) 9.742 27.564 ( 10.414 -5.774 10.479) 15.862 28.647 ( 7.204 1.685 -0.721) 7.433 31.820 ( 0.597 -2.646 2.480) 3.675 34.327 ( 23.828 13.807 -36.200) 45.485 ======================= Grid point 276 (91/216) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.724 ( 31.973 -23.729 31.358) 50.682 4.964 ( 41.150 -22.623 22.254) 51.965 6.721 ( 10.536 -6.442 12.955) 17.899 7.463 ( 24.487 0.758 0.523) 24.504 8.200 ( 1.304 -7.512 -4.936) 9.082 8.746 ( 11.995 4.600 -11.030) 16.932 9.231 ( 1.112 7.675 -9.517) 12.276 10.076 ( -11.770 5.973 -4.113) 13.825 10.458 ( -9.276 6.502 -9.195) 14.590 10.833 ( 14.953 -2.932 -1.782) 15.342 11.023 ( -8.032 -8.413 -5.276) 12.772 11.695 ( -5.903 10.354 -1.802) 12.054 11.929 ( -12.943 -7.348 -5.059) 15.720 12.333 ( -0.159 -4.843 0.799) 4.911 12.825 ( 5.501 13.573 -12.203) 19.063 13.035 ( 3.973 -2.634 -9.791) 10.890 13.639 ( -5.735 1.797 -2.450) 6.490 14.063 ( -1.808 -9.682 10.426) 14.343 14.354 ( -5.335 4.846 9.424) 11.865 14.989 ( -14.554 -7.210 -13.720) 21.261 16.037 ( -11.720 9.860 6.268) 16.549 17.673 ( -4.096 25.225 16.877) 30.626 18.753 ( -2.015 -0.120 -12.261) 12.426 19.638 ( 5.119 -6.329 17.628) 19.417 21.889 ( -8.355 -12.541 17.025) 22.737 22.466 ( -0.542 -0.281 6.225) 6.255 24.462 ( -1.099 3.943 13.381) 13.993 24.807 ( 2.218 7.248 -1.866) 7.806 25.293 ( 5.468 -11.224 -5.882) 13.802 25.570 ( -1.131 -3.455 -9.850) 10.500 26.321 ( -13.609 -12.497 8.374) 20.285 26.799 ( -4.588 -0.544 11.767) 12.641 27.813 ( 10.770 -10.228 7.568) 16.670 28.661 ( 8.306 5.611 -1.329) 10.111 31.874 ( -1.735 -3.910 2.699) 5.058 34.221 ( 16.969 20.566 -27.036) 37.972 ======================= Grid point 277 (92/216) ======================= q-point: ( 0.45 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.457 ( 32.862 -23.129 14.011) 42.558 5.728 ( 37.011 -19.589 20.227) 46.505 6.904 ( 3.635 -3.238 -1.438) 5.075 7.466 ( 15.728 15.334 12.360) 25.204 8.209 ( -21.138 -4.964 -5.285) 22.347 8.461 ( -10.696 18.454 -0.272) 21.331 9.521 ( 23.781 -10.041 -1.564) 25.861 9.945 ( -9.158 -4.183 -2.364) 10.341 10.336 ( -3.363 -0.878 -14.122) 14.544 10.982 ( 2.190 -1.394 -2.316) 3.479 11.135 ( 3.986 -6.878 -3.867) 8.840 11.439 ( -5.479 8.838 -0.867) 10.435 11.912 ( -6.781 -1.742 1.637) 7.190 12.441 ( 3.387 -3.155 -2.055) 5.065 12.580 ( -5.111 10.097 -9.198) 14.583 13.221 ( 7.393 -7.999 -22.445) 24.948 13.513 ( -6.014 4.953 -5.310) 9.428 14.064 ( -0.498 10.074 8.273) 13.045 14.363 ( -1.597 -10.359 5.609) 11.888 14.968 ( -8.523 -4.999 -8.657) 13.137 15.776 ( -5.810 9.409 8.790) 14.126 17.232 ( -7.332 18.437 23.616) 30.845 18.760 ( -1.118 -2.385 -13.107) 13.369 19.685 ( -2.107 1.692 7.309) 7.792 22.064 ( -5.170 -14.998 19.281) 24.969 22.486 ( 3.120 -0.300 11.186) 11.617 24.410 ( -0.870 1.055 13.244) 13.314 24.718 ( 2.581 5.926 -1.318) 6.597 25.459 ( -4.430 -4.828 -6.675) 9.354 25.676 ( 8.016 -6.673 -12.885) 16.577 26.425 ( -10.317 -13.277 7.057) 18.235 26.755 ( -4.519 0.202 12.620) 13.406 28.074 ( 7.235 -7.117 5.583) 11.583 28.651 ( 10.579 4.038 0.123) 11.324 31.910 ( -5.491 -4.182 2.361) 7.295 33.985 ( 12.183 23.096 -20.538) 33.221 ======================= Grid point 278 (93/216) ======================= q-point: ( 0.55 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.076 ( 28.444 -10.081 4.684) 30.539 6.360 ( 24.540 -14.430 14.034) 31.739 6.729 ( 10.156 21.269 5.886) 24.293 7.347 ( 7.390 23.815 -1.965) 25.013 7.939 ( -24.435 -1.497 4.369) 24.868 8.389 ( -10.059 -23.547 15.557) 29.962 9.704 ( -4.865 -3.330 -13.686) 14.902 9.907 ( -5.208 4.923 -8.291) 10.959 10.374 ( 0.201 2.359 -6.254) 6.687 10.975 ( -1.466 -0.388 -3.038) 3.395 11.171 ( 0.798 7.592 6.498) 10.025 11.489 ( 7.722 -13.435 -8.637) 17.740 11.886 ( 1.592 -2.348 0.387) 2.863 12.334 ( -10.130 6.892 -4.249) 12.968 12.583 ( 2.959 -3.696 0.378) 4.750 13.256 ( -3.194 5.231 -11.505) 13.036 13.401 ( -1.781 5.447 -11.829) 13.144 13.969 ( 8.162 2.908 -1.277) 8.758 14.443 ( -5.796 -1.555 -11.374) 12.860 15.058 ( 2.508 -9.292 1.050) 9.682 15.661 ( 5.208 1.483 14.271) 15.264 16.913 ( -11.795 7.613 26.839) 30.289 18.810 ( 2.886 -2.217 -10.932) 11.522 19.581 ( -8.934 2.911 0.073) 9.397 22.277 ( -2.014 -13.090 19.635) 23.684 22.527 ( 5.128 0.388 14.132) 15.039 24.400 ( -0.946 -0.670 11.477) 11.535 24.652 ( 2.485 4.737 0.437) 5.367 25.422 ( -7.837 0.499 -6.801) 10.389 25.881 ( 8.975 -5.409 -15.469) 18.684 26.572 ( -6.278 -13.004 7.775) 16.400 26.712 ( -3.534 -0.314 11.464) 12.001 28.107 ( -0.739 6.558 6.857) 9.517 28.823 ( 17.105 -7.974 -0.159) 18.873 31.903 ( -10.052 -3.824 1.714) 10.890 33.678 ( 7.827 23.877 -16.317) 29.960 ======================= Grid point 279 (94/216) ======================= q-point: (-0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.055 ( 7.459 34.515 9.550) 36.581 6.298 ( 1.756 21.935 12.529) 25.322 6.835 ( 10.869 11.414 13.177) 20.544 7.203 ( 22.647 -15.854 -5.938) 28.275 7.840 ( -19.554 -12.801 -4.468) 23.794 8.904 ( 3.070 -32.548 17.417) 37.043 9.529 ( -19.269 13.679 -0.731) 23.642 9.764 ( -1.425 3.600 -24.884) 25.183 10.156 ( -10.352 13.414 -7.421) 18.498 10.938 ( 0.501 7.396 14.371) 16.170 11.102 ( 2.609 -2.191 -2.188) 4.049 11.692 ( 7.972 0.490 -9.632) 12.512 12.012 ( -4.154 2.796 2.995) 5.835 12.248 ( 6.363 -8.054 -2.891) 10.664 12.590 ( -9.632 -7.365 -10.808) 16.243 13.123 ( -5.663 14.039 -2.513) 15.346 13.297 ( 3.339 -3.131 -7.393) 8.695 14.039 ( 8.772 1.316 -11.614) 14.614 14.355 ( -7.997 1.746 -13.115) 15.460 15.290 ( 7.130 -10.506 -4.011) 13.316 15.843 ( 20.440 -5.998 21.510) 30.273 16.744 ( -18.454 -6.110 29.428) 35.269 18.884 ( 8.628 0.710 -10.879) 13.903 19.438 ( -14.014 -0.102 -1.107) 14.058 22.433 ( -0.006 -4.661 19.004) 19.567 22.591 ( 5.332 -2.826 13.521) 14.806 24.408 ( -1.107 -1.239 8.896) 9.050 24.602 ( 2.080 3.621 3.121) 5.214 25.310 ( -7.592 3.233 -6.004) 10.205 26.012 ( 6.140 -1.105 -16.138) 17.301 26.652 ( -2.424 -0.546 10.496) 10.786 26.787 ( -1.637 -11.713 5.662) 13.112 27.913 ( -4.265 11.298 11.097) 16.400 29.193 ( 19.915 -12.493 -3.047) 23.706 31.840 ( -14.365 -2.805 1.080) 14.676 33.324 ( 3.656 23.747 -13.349) 27.486 ======================= Grid point 280 (95/216) ======================= q-point: (-0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.443 ( 5.375 42.782 21.894) 48.358 5.630 ( -8.223 41.886 17.823) 46.257 6.839 ( 1.737 -0.554 13.553) 13.675 7.692 ( 15.021 -13.538 -22.795) 30.472 8.061 ( -2.696 -22.541 0.004) 22.701 8.912 ( -10.584 35.249 12.196) 38.772 9.315 ( 0.884 -3.314 -7.515) 8.261 9.644 ( -6.454 9.875 -28.789) 31.112 9.982 ( -5.583 -14.006 8.860) 17.488 10.871 ( -0.396 -2.830 17.501) 17.733 11.208 ( 1.158 -6.251 -1.797) 6.606 11.596 ( 4.444 19.685 -10.112) 22.571 12.012 ( 3.763 -6.295 -7.381) 10.406 12.196 ( -6.308 5.497 1.734) 8.544 12.805 ( -3.739 11.390 0.590) 12.003 12.909 ( 0.501 -20.086 -21.856) 29.688 13.416 ( 0.044 -5.785 -1.686) 6.026 14.102 ( 7.850 -1.586 -13.288) 15.514 14.275 ( -8.007 -2.150 -3.748) 9.098 15.488 ( 5.563 -3.138 -3.237) 7.161 16.146 ( 19.373 -2.611 15.165) 24.741 16.825 ( -14.963 -24.667 32.964) 43.807 18.921 ( 8.650 6.131 -17.910) 20.813 19.334 ( -12.027 -3.425 6.832) 14.249 22.444 ( 0.905 2.676 18.149) 18.367 22.712 ( 3.417 -4.701 10.179) 11.721 24.420 ( -0.773 -1.276 5.995) 6.178 24.569 ( 1.121 1.972 6.407) 6.797 25.175 ( -4.861 4.959 -5.134) 8.636 26.042 ( 2.948 2.760 -14.919) 15.456 26.633 ( -1.120 0.247 7.760) 7.844 26.975 ( 1.208 -9.516 3.010) 10.053 27.673 ( -4.570 10.783 15.853) 19.710 29.616 ( 18.418 -13.885 -7.218) 24.168 31.721 ( -15.208 -0.839 1.016) 15.265 32.942 ( 0.443 22.713 -10.866) 25.183 ======================= Grid point 281 (96/216) ======================= q-point: (-0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.696 ( 0.000 46.169 30.772) 55.484 4.858 ( 0.000 41.343 29.513) 50.796 6.850 ( 0.000 3.783 11.792) 12.384 7.676 ( 0.000 31.008 -1.209) 31.032 8.315 ( -0.000 -3.644 -10.606) 11.215 8.467 ( 0.000 0.237 -1.664) 1.681 9.293 ( -0.000 -6.709 -20.729) 21.788 9.365 ( 0.000 16.408 -26.231) 30.940 10.365 ( -0.000 -24.669 12.457) 27.636 11.007 ( -0.000 -5.402 6.012) 8.082 11.196 ( 0.000 18.850 5.549) 19.650 11.336 ( -0.000 -8.418 -0.399) 8.427 12.086 ( 0.000 1.156 -10.479) 10.543 12.219 ( -0.000 -7.658 -15.333) 17.139 12.655 ( 0.000 0.732 3.579) 3.653 13.135 ( -0.000 -4.833 -20.910) 21.461 13.474 ( -0.000 -2.028 2.315) 3.077 14.199 ( 0.000 1.821 8.724) 8.912 14.400 ( -0.000 -23.167 -11.755) 25.979 15.467 ( 0.000 8.451 7.288) 11.160 16.301 ( -0.000 -5.662 -0.269) 5.668 17.241 ( -0.000 -28.122 34.942) 44.853 18.837 ( 0.000 7.386 -26.395) 27.409 19.317 ( -0.000 -0.442 16.288) 16.294 22.381 ( 0.000 4.845 16.806) 17.490 22.791 ( -0.000 -2.156 6.427) 6.779 24.439 ( -0.000 -1.395 3.120) 3.418 24.563 ( -0.000 -0.871 10.041) 10.079 25.056 ( 0.000 5.873 -4.993) 7.708 25.983 ( 0.000 5.495 -12.586) 13.733 26.627 ( -0.000 -0.309 4.730) 4.740 27.112 ( -0.000 -4.870 0.119) 4.871 27.481 ( 0.000 8.046 19.619) 21.205 29.971 ( -0.000 -13.263 -11.752) 17.721 31.620 ( 0.000 0.733 1.358) 1.544 32.569 ( 0.000 20.239 -8.489) 21.947 ======================= Grid point 286 (97/216) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( 28.789 -0.000 38.488) 48.064 4.549 ( 41.236 -0.000 35.404) 54.349 6.852 ( 47.754 -0.000 36.465) 60.085 7.130 ( 9.032 -0.000 -21.333) 23.166 8.152 ( 26.341 -0.000 -4.242) 26.680 8.762 ( 12.377 -0.000 -17.800) 21.680 9.489 ( -13.579 0.000 -21.514) 25.441 10.340 ( -4.760 0.000 -6.345) 7.933 10.580 ( -3.284 0.000 -17.502) 17.807 10.686 ( -8.627 0.000 8.604) 12.184 11.177 ( -9.548 0.000 -5.665) 11.102 11.317 ( 2.292 -0.000 -7.196) 7.552 11.993 ( -18.171 0.000 -6.419) 19.272 12.327 ( -8.736 0.000 2.246) 9.020 13.054 ( -8.140 0.000 6.304) 10.295 13.089 ( 20.728 -0.000 -13.264) 24.609 13.384 ( -3.261 0.000 12.874) 13.281 14.159 ( 2.594 -0.000 -0.616) 2.666 14.498 ( 0.056 -0.000 3.750) 3.750 14.637 ( -25.281 0.000 -10.836) 27.505 16.184 ( -22.862 0.000 4.531) 23.307 18.326 ( 0.866 -0.000 -26.527) 26.541 18.979 ( 3.491 -0.000 31.862) 32.053 19.184 ( 5.337 -0.000 23.406) 24.007 21.649 ( -9.557 0.000 14.106) 17.039 22.457 ( -2.824 0.000 0.630) 2.893 24.634 ( -1.232 0.000 15.556) 15.604 24.876 ( 3.820 -0.000 -5.652) 6.822 25.125 ( -2.046 0.000 -1.883) 2.781 25.453 ( 1.223 -0.000 -9.617) 9.695 26.033 ( -12.941 0.000 12.974) 18.325 26.782 ( -3.010 0.000 10.408) 10.835 27.618 ( 10.634 -0.000 9.304) 14.130 28.780 ( 13.543 -0.000 -4.763) 14.356 31.810 ( 1.208 -0.000 4.473) 4.633 34.623 ( 13.149 -0.000 -34.381) 36.809 ======================= Grid point 287 (98/216) ======================= q-point: ( 0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.599 ( 24.347 -21.108 34.363) 47.107 5.065 ( 41.961 -12.005 28.254) 51.992 6.960 ( 19.692 12.427 9.833) 25.277 7.505 ( 12.386 -14.670 -2.102) 19.314 8.391 ( 28.615 11.024 -0.718) 30.673 8.938 ( 19.662 -0.957 -11.082) 22.590 9.274 ( -11.207 2.236 -15.649) 19.377 10.089 ( -21.190 10.003 4.750) 23.909 10.481 ( -6.725 6.997 -14.758) 17.663 10.756 ( -0.751 -8.897 -4.095) 9.823 11.022 ( 10.355 3.945 -3.825) 11.723 11.582 ( -6.138 -16.311 -9.069) 19.646 11.749 ( -16.188 4.954 -3.046) 17.201 12.268 ( -1.501 -1.457 -0.163) 2.098 12.976 ( -5.448 2.318 0.696) 5.962 13.141 ( 9.293 7.635 -11.903) 16.921 13.525 ( -1.881 -11.428 0.208) 11.583 14.001 ( -4.830 9.251 -0.232) 10.439 14.398 ( -1.661 2.368 9.273) 9.714 14.676 ( -11.269 -13.089 -11.164) 20.566 15.931 ( -24.461 1.156 6.777) 25.409 18.147 ( 4.583 23.462 -1.259) 23.939 18.775 ( -3.511 9.036 4.815) 10.824 19.507 ( 4.914 -16.098 24.603) 29.809 21.622 ( -8.639 -7.353 14.955) 18.770 22.450 ( -0.160 -1.218 2.848) 3.102 24.543 ( -1.131 6.266 16.669) 17.843 24.932 ( 2.361 3.078 -5.907) 7.067 25.141 ( 0.435 -7.866 -1.093) 7.954 25.513 ( 2.090 -3.645 -11.131) 11.897 26.000 ( -10.989 -8.578 8.399) 16.275 26.753 ( -3.477 -0.228 12.287) 12.772 27.775 ( 10.235 -6.174 7.554) 14.140 28.873 ( 13.109 5.069 -5.787) 15.200 31.829 ( 0.295 -0.957 5.444) 5.536 34.622 ( 8.189 11.202 -28.523) 31.719 ======================= Grid point 288 (99/216) ======================= q-point: ( 0.45 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.289 ( 23.205 -29.929 27.400) 46.744 5.755 ( 38.626 -20.261 16.457) 46.619 6.988 ( 17.267 4.363 15.125) 23.365 7.714 ( -2.243 -5.234 0.101) 5.695 8.165 ( -3.129 25.230 -3.865) 25.716 8.819 ( -1.235 25.049 -5.710) 25.722 9.509 ( 12.556 -12.782 -7.779) 19.533 9.824 ( -3.899 -1.995 3.511) 5.613 10.344 ( 0.133 3.497 -21.866) 22.144 10.842 ( -8.451 -6.922 -1.647) 11.047 11.150 ( 10.635 -1.584 -3.364) 11.266 11.463 ( -13.265 3.709 -0.258) 13.776 11.782 ( -1.405 -7.395 -3.378) 8.250 12.380 ( 4.399 -6.972 -2.221) 8.538 12.750 ( -11.281 14.714 -8.233) 20.287 13.147 ( 2.172 -4.781 -15.360) 16.233 13.569 ( 0.626 2.621 -11.826) 12.129 14.037 ( 1.150 -10.494 14.774) 18.159 14.319 ( 0.149 5.667 6.732) 8.801 14.775 ( -6.264 -9.140 -11.068) 15.661 15.690 ( -22.276 -0.499 8.017) 23.680 17.681 ( 4.216 32.830 24.346) 41.089 18.687 ( -4.326 -2.418 -14.265) 15.101 19.693 ( 0.801 -1.661 13.227) 13.355 21.738 ( -6.418 -14.766 18.533) 24.550 22.495 ( 2.657 -2.266 7.573) 8.339 24.445 ( -0.640 3.821 16.190) 16.647 24.851 ( 2.107 6.733 -5.124) 8.719 25.315 ( -1.819 -8.813 -3.603) 9.693 25.626 ( 5.756 -6.396 -10.691) 13.723 26.081 ( -10.543 -12.766 5.423) 17.422 26.719 ( -3.327 0.156 13.392) 13.800 28.013 ( 8.865 -9.482 5.454) 14.080 28.867 ( 10.495 8.286 -4.296) 14.045 31.837 ( -1.838 -0.619 5.593) 5.920 34.435 ( 6.094 18.023 -22.954) 29.814 ======================= Grid point 289 (100/216) ======================= q-point: ( 0.55 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.029 ( 23.501 -27.921 16.611) 40.097 6.412 ( 29.919 -12.768 8.358) 33.586 7.144 ( 19.179 3.608 15.409) 24.866 7.625 ( -2.457 19.842 1.777) 20.072 7.780 ( -18.084 -9.940 8.766) 22.421 8.220 ( -13.551 30.354 4.416) 33.533 9.553 ( -11.100 0.416 -8.304) 13.869 10.017 ( 9.998 0.802 -16.304) 19.142 10.398 ( 5.949 -6.251 -17.114) 19.167 10.867 ( -5.101 -5.255 -3.057) 7.936 11.210 ( -2.804 0.365 0.261) 2.840 11.361 ( -2.424 -3.517 -4.372) 6.112 11.903 ( 6.382 -1.940 2.603) 7.160 12.341 ( -10.894 7.694 -9.839) 16.573 12.572 ( 2.156 -3.017 4.007) 5.459 13.291 ( 1.598 -4.769 -18.820) 19.481 13.491 ( 1.932 7.490 -7.578) 10.828 14.105 ( 4.539 4.963 6.081) 9.067 14.323 ( -3.670 -6.213 -6.485) 9.702 14.925 ( 5.213 -10.600 1.071) 11.861 15.536 ( -17.804 -6.281 9.783) 21.263 17.173 ( 0.525 27.941 31.537) 42.137 18.748 ( 0.061 -6.787 -13.620) 15.217 19.608 ( -4.676 7.751 1.133) 9.122 21.980 ( -3.002 -17.733 21.346) 27.913 22.564 ( 3.672 -1.596 11.690) 12.357 24.397 ( -0.440 1.225 14.484) 14.542 24.764 ( 1.900 5.717 -3.225) 6.833 25.362 ( -4.083 -1.101 -5.346) 6.816 25.839 ( 7.578 -8.605 -13.879) 18.002 26.230 ( -8.812 -16.070 7.010) 19.622 26.686 ( -2.414 0.339 13.226) 13.449 28.201 ( 5.163 -1.185 4.157) 6.733 28.864 ( 9.025 0.118 -2.152) 9.278 31.809 ( -4.178 0.424 5.235) 6.711 34.139 ( 4.353 22.017 -18.859) 29.315 ======================= Grid point 290 (101/216) ======================= q-point: ( 0.64 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.552 ( 18.101 4.866 8.641) 20.640 6.689 ( 8.793 6.863 9.674) 14.765 7.085 ( 19.461 6.750 21.464) 29.749 7.289 ( -13.847 10.642 -15.301) 23.219 7.584 ( -9.558 15.377 4.611) 18.684 8.239 ( -3.669 -41.079 28.130) 49.923 9.424 ( -11.905 0.067 -9.510) 15.237 9.929 ( 1.734 11.250 -24.285) 26.821 10.393 ( 0.594 15.502 -13.601) 20.631 10.969 ( 1.839 -7.435 -4.996) 9.145 11.105 ( -5.957 3.452 3.658) 7.796 11.580 ( 2.225 -16.861 -6.022) 18.041 11.994 ( 6.673 -6.351 -3.528) 9.864 12.157 ( -7.113 5.846 0.563) 9.224 12.595 ( -0.656 4.714 4.859) 6.801 13.238 ( 0.121 6.179 -10.740) 12.391 13.402 ( 1.200 7.516 -7.542) 10.716 14.123 ( 6.751 -0.468 -2.399) 7.180 14.314 ( -6.323 1.207 -21.597) 22.536 15.180 ( 7.103 -8.572 -1.812) 11.280 15.668 ( -3.530 -23.914 23.520) 33.727 16.744 ( -4.338 19.863 32.259) 38.132 18.910 ( 5.690 -8.332 -7.127) 12.354 19.386 ( -8.457 9.441 -7.650) 14.805 22.250 ( -0.700 -14.717 21.127) 25.757 22.613 ( 2.661 -0.548 13.516) 13.787 24.387 ( -0.370 -0.282 11.976) 11.985 24.691 ( 1.197 4.646 -0.518) 4.825 25.308 ( -3.219 2.503 -4.959) 6.420 26.013 ( 3.929 -4.500 -17.131) 18.142 26.463 ( -3.685 -17.372 8.160) 19.544 26.665 ( -1.217 -0.245 11.586) 11.652 28.117 ( 0.823 12.236 6.892) 14.068 29.083 ( 7.558 -14.058 -3.148) 16.268 31.744 ( -4.870 1.712 4.616) 6.925 33.772 ( 2.156 24.240 -15.832) 29.032 ======================= Grid point 291 (102/216) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.228 ( 0.000 32.625 4.963) 33.000 6.229 ( 0.000 40.946 23.258) 47.091 6.957 ( 0.000 13.162 14.134) 19.313 7.525 ( -0.000 -12.123 -22.914) 25.924 7.572 ( -0.000 -29.335 11.140) 31.379 8.943 ( -0.000 -37.360 19.744) 42.256 9.282 ( 0.000 12.742 0.762) 12.764 9.758 ( 0.000 8.141 -31.741) 32.768 10.039 ( 0.000 19.509 -11.841) 22.821 10.949 ( 0.000 8.903 15.599) 17.961 11.116 ( -0.000 -5.853 -4.521) 7.396 11.834 ( -0.000 -11.697 -3.637) 12.249 11.897 ( 0.000 14.069 -1.342) 14.133 12.392 ( 0.000 15.094 4.791) 15.836 12.421 ( -0.000 -30.483 -17.581) 35.189 13.064 ( 0.000 16.242 -3.652) 16.647 13.344 ( -0.000 -2.491 -4.539) 5.177 14.196 ( 0.000 5.356 -30.732) 31.195 14.202 ( -0.000 -1.792 3.169) 3.641 15.375 ( -0.000 -10.588 -10.286) 14.762 16.189 ( -0.000 -32.071 32.712) 45.811 16.409 ( 0.000 13.854 28.528) 31.714 19.126 ( -0.000 -9.617 2.568) 9.954 19.142 ( 0.000 10.505 -15.908) 19.064 22.433 ( -0.000 -5.742 19.920) 20.731 22.650 ( -0.000 -3.021 12.383) 12.746 24.396 ( -0.000 -0.971 9.040) 9.092 24.625 ( 0.000 3.643 2.776) 4.580 25.231 ( 0.000 4.168 -4.624) 6.225 26.075 ( -0.000 -0.696 -16.487) 16.501 26.627 ( -0.000 -1.069 10.177) 10.233 26.765 ( -0.000 -13.913 4.808) 14.720 27.878 ( 0.000 14.364 12.028) 18.735 29.413 ( -0.000 -17.877 -6.013) 18.861 31.676 ( 0.000 2.333 3.701) 4.375 33.359 ( 0.000 24.710 -13.265) 28.046 ======================= Grid point 298 (103/216) ======================= q-point: ( 0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.597 ( 16.651 -0.000 35.238) 38.974 5.382 ( 42.358 -0.000 30.377) 52.124 7.221 ( -6.307 0.000 11.716) 13.306 7.505 ( 28.193 -0.000 -8.257) 29.378 8.925 ( 39.490 -0.000 -6.898) 40.088 9.084 ( -21.375 0.000 -17.457) 27.597 9.158 ( 32.558 -0.000 -1.049) 32.574 9.877 ( -36.512 0.000 10.883) 38.099 10.518 ( -4.034 0.000 -12.696) 13.321 10.714 ( 3.437 -0.000 -10.220) 10.782 11.179 ( 7.628 -0.000 -6.003) 9.707 11.355 ( 0.508 -0.000 -5.762) 5.784 11.621 ( -15.562 0.000 -5.883) 16.637 12.240 ( -0.690 0.000 -1.065) 1.269 12.944 ( -5.308 0.000 0.410) 5.324 13.214 ( -15.392 0.000 5.573) 16.370 13.434 ( 13.629 -0.000 -17.097) 21.864 14.143 ( -3.990 0.000 -11.393) 12.071 14.263 ( -9.234 0.000 -2.074) 9.464 14.525 ( 2.996 -0.000 10.826) 11.233 15.675 ( -26.898 0.000 7.482) 27.919 18.374 ( 3.586 -0.000 -27.407) 27.641 19.027 ( 1.478 -0.000 31.945) 31.979 19.237 ( 0.220 -0.000 27.152) 27.153 21.487 ( -6.512 0.000 13.596) 15.075 22.434 ( 0.036 -0.000 1.148) 1.148 24.604 ( -1.506 0.000 21.028) 21.082 24.946 ( 3.186 -0.000 -4.546) 5.551 25.087 ( -1.769 0.000 -4.498) 4.834 25.503 ( 3.586 -0.000 -12.491) 12.995 25.837 ( -7.741 0.000 6.505) 10.112 26.720 ( -2.884 0.000 13.269) 13.579 27.811 ( 8.326 -0.000 7.229) 11.027 29.049 ( 12.237 -0.000 -8.177) 14.717 31.830 ( 0.806 -0.000 7.082) 7.128 34.771 ( 3.381 -0.000 -26.573) 26.787 ======================= Grid point 299 (104/216) ======================= q-point: ( 0.45 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.953 ( 11.601 -24.299 33.422) 42.919 5.879 ( 39.890 -10.057 25.035) 48.158 7.099 ( -13.221 -1.059 12.067) 17.931 7.769 ( 27.016 4.765 -1.567) 27.478 8.617 ( -7.175 25.856 -13.822) 30.184 9.175 ( -8.367 17.976 1.523) 19.886 9.396 ( 7.177 -10.176 -10.457) 16.260 9.756 ( 11.504 -8.486 2.784) 14.564 10.439 ( 0.365 4.370 -18.764) 19.270 10.706 ( -1.326 -0.425 -1.391) 1.968 11.238 ( 6.245 1.490 -2.993) 7.084 11.345 ( -12.209 -0.959 0.007) 12.247 11.632 ( 1.983 -9.599 -12.449) 15.845 12.304 ( 4.127 -6.506 -1.411) 7.833 12.802 ( -16.618 7.118 -1.963) 18.185 13.079 ( -6.897 -1.755 -7.946) 10.667 13.583 ( 5.839 -3.034 -16.336) 17.611 13.969 ( 0.811 2.999 4.322) 5.323 14.389 ( 1.716 -4.745 0.159) 5.048 14.567 ( -1.433 -4.943 4.109) 6.586 15.432 ( -23.545 -1.179 7.398) 24.708 18.288 ( 9.178 21.839 1.380) 23.730 18.664 ( -7.623 13.075 4.976) 15.932 19.566 ( 1.456 -16.276 23.349) 28.499 21.486 ( -4.808 -6.936 15.251) 17.430 22.465 ( 1.130 -2.938 3.454) 4.674 24.524 ( -0.688 5.680 19.569) 20.388 24.976 ( 1.835 4.601 -8.454) 9.798 25.129 ( -1.078 -9.655 -0.064) 9.715 25.584 ( 4.684 -4.328 -11.047) 12.756 25.823 ( -7.397 -6.455 3.323) 10.365 26.694 ( -2.245 0.103 14.115) 14.293 27.941 ( 6.165 -6.667 6.129) 10.955 29.098 ( 8.663 6.295 -7.981) 13.356 31.832 ( 0.054 0.520 7.660) 7.678 34.710 ( 1.919 9.416 -23.430) 25.324 ======================= Grid point 300 (105/216) ======================= q-point: ( 0.55 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.596 ( 7.836 -36.997 29.450) 47.932 6.470 ( 32.749 -13.852 6.304) 36.112 7.056 ( -17.229 -14.258 26.538) 34.705 7.821 ( 16.681 18.584 6.394) 25.777 8.092 ( 3.474 28.054 -8.076) 29.399 8.556 ( -26.580 24.759 4.506) 36.604 9.610 ( 7.705 8.403 -10.574) 15.550 9.966 ( 4.506 -17.820 -17.989) 25.719 10.348 ( -4.536 6.442 -21.111) 22.533 10.831 ( 13.018 -5.683 3.130) 14.545 11.166 ( -11.180 1.644 -1.773) 11.438 11.294 ( -2.377 0.037 -2.902) 3.752 11.876 ( 9.259 -11.830 -4.573) 15.703 12.388 ( -11.147 10.861 -9.610) 18.291 12.520 ( -1.390 -3.618 3.356) 5.127 13.157 ( 0.169 -9.600 -13.598) 16.646 13.619 ( 2.112 3.259 -14.432) 14.945 14.078 ( 1.391 -10.352 4.562) 11.398 14.341 ( 1.878 9.670 9.534) 13.709 14.754 ( 3.082 -15.481 -1.229) 15.833 15.260 ( -17.087 -2.107 5.877) 18.192 17.779 ( 3.895 37.644 33.427) 50.494 18.607 ( -2.859 -6.856 -19.955) 21.293 19.691 ( -0.390 2.028 9.849) 10.063 21.651 ( -2.282 -16.001 19.957) 25.681 22.541 ( 1.439 -3.778 7.974) 8.941 24.436 ( -0.205 3.700 17.381) 17.771 24.883 ( 0.921 6.464 -6.873) 9.480 25.278 ( -1.235 -6.494 -3.376) 7.423 25.753 ( 6.668 -8.865 -9.379) 14.526 25.902 ( -7.790 -11.522 3.058) 14.241 26.673 ( -1.235 0.283 14.199) 14.255 28.138 ( 3.420 -9.469 4.398) 10.987 29.021 ( 4.320 8.815 -5.705) 11.354 31.809 ( -0.816 1.695 7.420) 7.654 34.501 ( 1.339 16.480 -20.576) 26.396 ======================= Grid point 301 (106/216) ======================= q-point: ( 0.64 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.290 ( -0.000 -36.201 24.651) 43.797 6.767 ( -0.000 -1.357 -7.833) 7.950 7.416 ( -0.000 -26.997 40.407) 48.596 7.437 ( 0.000 22.818 -13.029) 26.276 7.737 ( 0.000 20.187 22.594) 30.298 7.957 ( 0.000 25.280 -1.945) 25.355 9.433 ( 0.000 8.467 -13.272) 15.743 10.134 ( 0.000 10.963 -21.540) 24.169 10.417 ( -0.000 -19.177 -17.874) 26.215 10.925 ( 0.000 6.924 -9.430) 11.699 11.065 ( -0.000 -3.317 2.953) 4.441 11.346 ( -0.000 -8.550 -3.906) 9.400 12.072 ( 0.000 10.331 -8.098) 13.127 12.137 ( -0.000 -6.360 3.093) 7.072 12.598 ( -0.000 -2.940 5.765) 6.471 13.310 ( -0.000 -3.628 -16.720) 17.109 13.519 ( 0.000 7.940 -8.052) 11.308 14.193 ( 0.000 5.853 6.768) 8.948 14.246 ( -0.000 -6.155 -14.632) 15.874 15.155 ( -0.000 -25.446 15.898) 30.004 15.168 ( -0.000 -0.702 1.110) 1.313 17.190 ( 0.000 31.711 34.575) 46.914 18.753 ( -0.000 -10.540 -13.438) 17.078 19.551 ( 0.000 11.563 -2.104) 11.753 21.951 ( -0.000 -18.703 22.252) 29.068 22.603 ( -0.000 -2.255 11.688) 11.904 24.393 ( 0.000 1.321 14.875) 14.933 24.784 ( 0.000 5.562 -3.988) 6.843 25.319 ( 0.000 0.019 -4.719) 4.719 25.938 ( -0.000 -6.805 -18.614) 19.818 26.119 ( -0.000 -18.652 11.372) 21.845 26.662 ( 0.000 0.319 13.389) 13.393 28.255 ( 0.000 0.577 3.644) 3.689 28.958 ( -0.000 -1.789 -3.133) 3.607 31.765 ( 0.000 2.569 6.479) 6.970 34.179 ( 0.000 21.512 -18.169) 28.158 ======================= Grid point 311 (107/216) ======================= q-point: ( 0.45 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.810 ( 5.269 -0.000 36.682) 37.058 6.176 ( 36.826 -0.000 32.186) 48.909 6.859 ( -26.601 0.000 4.519) 26.982 8.165 ( 35.147 -0.000 -2.978) 35.273 8.772 ( -8.317 0.000 -14.155) 16.418 9.103 ( -38.434 0.000 11.271) 40.053 9.379 ( 13.047 -0.000 -22.466) 25.979 9.873 ( 20.132 -0.000 -1.473) 20.186 10.475 ( 4.322 -0.000 6.218) 7.572 10.742 ( 0.312 -0.000 -15.987) 15.990 11.211 ( -10.806 0.000 -1.565) 10.919 11.320 ( 4.259 -0.000 -3.815) 5.718 11.572 ( 5.983 -0.000 -15.122) 16.263 12.264 ( 1.751 -0.000 -1.744) 2.471 12.674 ( -18.057 0.000 3.409) 18.376 13.004 ( -2.713 0.000 -6.178) 6.748 13.618 ( 5.021 -0.000 -18.061) 18.746 14.046 ( -4.031 0.000 -18.243) 18.683 14.256 ( 4.153 -0.000 11.943) 12.645 14.590 ( 2.385 -0.000 14.458) 14.654 15.224 ( -15.260 0.000 5.628) 16.265 18.440 ( 2.304 -0.000 -29.091) 29.182 19.044 ( 0.374 -0.000 31.883) 31.885 19.218 ( -1.163 0.000 30.299) 30.321 21.400 ( -2.208 0.000 13.521) 13.701 22.441 ( 0.391 -0.000 1.383) 1.437 24.582 ( -0.574 0.000 22.687) 22.694 24.996 ( 1.661 -0.000 -1.072) 1.977 25.058 ( -1.104 0.000 -8.900) 8.968 25.582 ( 3.865 -0.000 -14.776) 15.274 25.712 ( -4.857 0.000 5.065) 7.017 26.678 ( -1.161 0.000 14.687) 14.733 27.927 ( 3.107 -0.000 6.372) 7.089 29.223 ( 4.730 -0.000 -9.525) 10.635 31.841 ( 0.275 -0.000 8.574) 8.579 34.801 ( 0.411 -0.000 -22.728) 22.731 ======================= Grid point 312 (108/216) ======================= q-point: ( 0.55 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.066 ( -0.000 -25.445 35.015) 43.284 6.560 ( -0.000 -12.575 59.126) 60.449 6.653 ( -0.000 -2.266 -24.254) 24.360 8.301 ( 0.000 13.932 -6.196) 15.248 8.590 ( 0.000 16.613 18.896) 25.160 8.620 ( 0.000 18.969 -14.818) 24.071 9.606 ( -0.000 -16.947 -21.921) 27.708 9.903 ( 0.000 9.273 -8.217) 12.390 10.474 ( 0.000 6.716 -10.792) 12.711 10.782 ( -0.000 -7.577 5.623) 9.435 11.125 ( 0.000 2.564 -4.787) 5.430 11.318 ( 0.000 2.357 -3.438) 4.168 11.707 ( -0.000 -10.628 -13.475) 17.161 12.372 ( -0.000 -9.509 -0.124) 9.510 12.516 ( 0.000 7.528 -1.666) 7.710 13.027 ( -0.000 -4.481 -8.564) 9.666 13.649 ( -0.000 -0.279 -17.463) 17.465 13.974 ( -0.000 -0.363 -1.554) 1.596 14.473 ( -0.000 -16.422 0.980) 16.451 14.528 ( 0.000 8.089 14.016) 16.183 15.155 ( -0.000 -0.960 4.693) 4.790 18.481 ( 0.000 39.539 34.658) 52.578 18.488 ( -0.000 -4.138 -27.316) 27.628 19.578 ( -0.000 -16.412 22.767) 28.066 21.439 ( -0.000 -6.678 15.494) 16.872 22.478 ( -0.000 -3.628 3.622) 5.127 24.517 ( 0.000 5.405 20.317) 21.023 24.996 ( 0.000 5.619 -9.733) 11.238 25.116 ( -0.000 -10.268 0.414) 10.277 25.672 ( -0.000 -6.779 -19.076) 20.245 25.710 ( -0.000 -3.748 10.131) 10.802 26.671 ( 0.000 0.167 14.741) 14.742 28.004 ( -0.000 -6.893 5.689) 8.938 29.187 ( 0.000 6.608 -8.645) 10.881 31.832 ( 0.000 1.118 8.482) 8.555 34.726 ( 0.000 8.814 -21.728) 23.448 ======================= Grid point 375 (109/216) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 0.000 0.000 53.827) 53.827 3.868 ( 0.000 0.000 54.351) 54.351 6.075 ( 0.000 0.000 40.155) 40.155 7.099 ( 0.000 0.000 -15.376) 15.376 7.250 ( 0.000 0.000 -30.254) 30.254 7.423 ( 0.000 0.000 -38.401) 38.401 8.446 ( 0.000 0.000 20.271) 20.271 10.028 ( 0.000 0.000 -34.490) 34.490 10.137 ( 0.000 0.000 -37.462) 37.462 11.446 ( 0.000 0.000 -0.158) 0.158 11.554 ( 0.000 0.000 3.830) 3.830 11.589 ( 0.000 0.000 1.542) 1.542 11.856 ( 0.000 0.000 -7.075) 7.075 12.285 ( 0.000 0.000 5.067) 5.067 13.311 ( 0.000 0.000 -4.126) 4.126 13.480 ( 0.000 0.000 2.594) 2.594 13.987 ( 0.000 0.000 23.954) 23.954 14.387 ( 0.000 0.000 8.304) 8.304 14.587 ( 0.000 0.000 1.014) 1.014 15.606 ( 0.000 0.000 -12.127) 12.127 16.321 ( 0.000 0.000 2.147) 2.147 17.697 ( 0.000 0.000 -39.188) 39.188 19.338 ( 0.000 0.000 30.693) 30.693 19.381 ( 0.000 0.000 29.521) 29.521 22.351 ( 0.000 0.000 10.528) 10.528 22.729 ( 0.000 0.000 -1.940) 1.940 24.463 ( 0.000 0.000 -3.119) 3.119 24.584 ( 0.000 0.000 -5.751) 5.751 25.263 ( 0.000 0.000 2.719) 2.719 25.507 ( 0.000 0.000 -2.456) 2.456 26.745 ( 0.000 0.000 -2.651) 2.651 26.872 ( 0.000 0.000 -5.168) 5.168 27.770 ( 0.000 0.000 26.268) 26.268 29.894 ( 0.000 0.000 -18.431) 18.431 31.676 ( 0.000 0.000 -1.596) 1.596 31.711 ( 0.000 0.000 -2.129) 2.129 ======================= Grid point 376 (110/216) ======================= q-point: ( 0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( 10.826 -15.606 48.760) 52.329 4.160 ( 8.608 -25.529 49.674) 56.510 6.250 ( 12.547 -14.314 42.314) 46.398 6.958 ( -15.128 2.927 -30.148) 33.858 7.221 ( -4.445 -8.582 -21.625) 23.687 7.834 ( 33.224 -13.150 -27.566) 45.129 8.478 ( -0.817 -4.896 16.644) 17.368 9.754 ( -0.153 18.686 -30.417) 35.698 10.380 ( -0.775 -15.478 -37.220) 40.317 11.253 ( -8.683 15.370 8.008) 19.384 11.434 ( -1.402 2.574 0.274) 2.944 11.746 ( -0.420 -7.721 -2.514) 8.131 11.836 ( 2.771 5.232 -7.524) 9.574 12.175 ( 3.333 12.469 4.367) 13.626 13.097 ( -7.549 13.574 -3.375) 15.894 13.558 ( -3.228 -1.965 0.538) 3.817 13.930 ( 4.001 7.406 19.460) 21.202 14.274 ( -5.544 2.310 11.888) 13.319 14.782 ( -4.600 -16.792 -0.004) 17.411 15.447 ( -7.680 10.925 -11.711) 17.763 16.352 ( 3.873 1.118 1.733) 4.387 17.737 ( -2.321 -5.414 -36.470) 36.943 19.134 ( 2.839 15.632 32.458) 36.138 19.562 ( 4.275 -8.634 25.283) 27.057 22.366 ( -2.884 -3.629 10.444) 11.426 22.731 ( -3.506 -2.184 -1.257) 4.318 24.468 ( 1.819 0.458 -2.529) 3.149 24.634 ( 1.795 -4.565 -5.967) 7.724 25.170 ( -1.000 8.466 5.588) 10.193 25.541 ( -1.787 -3.757 -4.226) 5.930 26.722 ( 2.041 2.609 -1.188) 3.519 26.939 ( 0.794 -5.869 -4.362) 7.356 27.777 ( -0.271 -1.156 25.561) 25.589 29.676 ( -38.749 -1.772 -11.352) 40.417 31.737 ( 5.389 -1.605 -2.165) 6.025 31.933 ( 38.343 -0.715 -9.522) 39.514 ======================= Grid point 377 (111/216) ======================= q-point: ( 0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.262 ( 11.710 -23.792 38.051) 46.379 4.754 ( 11.937 -29.023 44.439) 54.403 6.746 ( 2.020 -14.144 3.706) 14.760 6.906 ( 4.855 -19.411 4.928) 20.607 7.380 ( 8.365 -9.063 -17.692) 21.567 8.359 ( 22.450 -10.545 -9.220) 26.461 8.664 ( 6.787 -15.893 3.442) 17.620 9.453 ( 2.763 15.817 -24.499) 29.292 10.587 ( -2.045 -8.767 -28.437) 29.828 10.897 ( -8.150 13.984 9.055) 18.547 11.348 ( -7.579 2.491 -3.830) 8.850 11.692 ( -0.562 11.773 -6.236) 13.334 11.859 ( 1.693 -4.590 -7.140) 8.655 12.036 ( 10.838 9.608 2.479) 14.695 12.770 ( -10.666 13.069 -3.750) 17.280 13.377 ( -10.854 11.527 3.979) 16.325 13.898 ( 9.606 5.981 5.828) 12.729 14.197 ( -9.750 -0.248 11.828) 15.331 14.961 ( -9.657 -8.445 1.261) 12.890 15.189 ( -2.373 9.008 -13.158) 16.122 16.311 ( -3.371 4.092 5.518) 7.652 17.798 ( -7.934 -6.000 -28.103) 29.811 18.889 ( 5.369 16.406 30.676) 35.200 19.728 ( 7.137 -3.456 17.758) 19.448 22.425 ( -3.099 -6.646 10.682) 12.957 22.736 ( -5.863 -3.936 1.237) 7.169 24.484 ( 1.982 -0.185 -0.851) 2.165 24.763 ( 4.070 -6.322 -6.415) 9.884 25.005 ( -0.631 8.438 8.644) 12.097 25.579 ( -3.557 -3.503 -6.721) 8.372 26.718 ( 2.594 0.255 2.312) 3.484 27.051 ( 1.059 -5.144 -1.918) 5.591 27.819 ( 1.781 -3.420 22.709) 23.034 29.326 ( -39.406 -3.978 -5.118) 39.936 31.846 ( 4.589 -5.073 -2.142) 7.168 32.316 ( 41.856 4.546 -16.364) 45.170 ======================= Grid point 378 (112/216) ======================= q-point: ( 0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.784 ( 8.842 -24.485 26.012) 36.801 5.378 ( 16.099 -27.671 40.920) 51.955 6.795 ( -11.943 -8.082 -25.373) 29.184 7.235 ( 3.470 -0.641 10.017) 10.620 7.951 ( 25.643 -31.511 0.645) 40.631 8.629 ( 9.416 -4.013 2.916) 10.643 8.951 ( 3.203 -6.837 7.813) 10.864 9.439 ( 18.388 -5.275 -20.038) 27.703 10.568 ( -3.990 2.964 -0.618) 5.008 10.724 ( -4.339 1.787 -6.786) 8.251 11.237 ( -10.641 -2.440 -14.073) 17.811 11.473 ( 0.305 12.951 -5.046) 13.903 11.928 ( 4.731 3.586 -9.886) 11.531 12.039 ( 12.368 3.720 1.727) 13.031 12.505 ( -8.906 2.514 -6.068) 11.066 13.084 ( -9.648 8.574 2.807) 13.209 13.816 ( 3.377 12.394 -4.775) 13.705 14.069 ( -8.459 4.524 6.583) 11.634 14.812 ( -0.811 12.792 -0.340) 12.822 15.173 ( -7.852 -6.252 -9.861) 14.070 16.156 ( -10.641 5.255 14.563) 18.786 17.739 ( -13.649 0.814 -13.038) 18.893 18.728 ( 8.310 9.172 20.497) 23.944 19.805 ( 5.930 2.016 9.209) 11.137 22.523 ( -1.738 -7.100 11.405) 13.547 22.756 ( -5.678 -5.139 5.513) 9.437 24.514 ( 1.794 -1.016 1.473) 2.534 24.817 ( -1.463 4.119 7.458) 8.645 24.988 ( 7.686 -4.755 -5.858) 10.770 25.589 ( -5.244 -2.602 -8.974) 10.715 26.763 ( 2.709 -2.298 5.841) 6.836 27.114 ( -0.697 -1.761 2.538) 3.167 27.940 ( 6.317 -5.845 17.329) 19.348 29.046 ( -31.008 -3.538 -2.398) 31.301 31.990 ( 3.397 -6.604 -2.402) 7.805 32.575 ( 32.234 7.685 -17.073) 37.277 ======================= Grid point 379 (113/216) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.281 ( 9.371 -23.156 15.185) 29.234 6.002 ( 16.604 -25.249 33.155) 44.860 6.727 ( -17.110 2.435 -17.069) 24.291 7.196 ( 4.774 7.426 10.474) 13.698 8.477 ( 5.560 -8.033 -6.537) 11.754 8.675 ( 1.948 -0.855 5.884) 6.257 9.258 ( 12.747 -14.513 -0.033) 19.316 9.780 ( 16.266 -12.262 4.574) 20.877 10.556 ( 5.334 2.945 2.395) 6.547 10.688 ( -5.066 -9.094 -8.912) 13.703 11.229 ( -7.184 -2.562 -13.094) 15.154 11.260 ( -0.754 10.211 -6.020) 11.877 11.741 ( 1.996 12.660 -6.632) 14.430 12.239 ( 9.280 -11.586 -1.204) 14.893 12.491 ( -4.666 -0.527 -13.973) 14.741 12.941 ( -1.919 -0.504 -0.339) 2.013 13.572 ( -0.297 15.083 -6.747) 16.526 13.867 ( -5.619 11.128 0.244) 12.468 14.615 ( 0.577 9.218 1.075) 9.298 15.142 ( -8.904 0.803 -11.542) 14.600 15.959 ( -11.588 3.260 24.288) 27.108 17.542 ( -11.886 5.533 -1.104) 13.157 18.722 ( 6.911 1.691 10.520) 12.700 19.788 ( 2.700 4.167 2.605) 5.607 22.621 ( -0.311 -5.032 12.033) 13.047 22.795 ( -3.842 -4.570 9.785) 11.462 24.554 ( 1.670 -1.625 3.854) 4.504 24.727 ( -1.534 3.721 9.301) 10.135 25.173 ( 9.410 -5.615 -10.311) 15.046 25.561 ( -6.908 -0.981 -10.727) 12.796 26.844 ( 2.828 -3.740 8.388) 9.609 27.100 ( -2.463 1.247 6.659) 7.208 28.130 ( 10.575 -6.060 11.836) 16.990 28.823 ( -23.344 -1.337 0.045) 23.382 32.126 ( 1.568 -5.954 -2.922) 6.815 32.701 ( 20.220 7.217 -15.558) 26.514 ======================= Grid point 380 (114/216) ======================= q-point: ( 0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.751 ( 9.977 -17.951 4.133) 20.949 6.402 ( -13.343 12.975 1.335) 18.659 6.536 ( 11.282 -18.279 20.552) 29.729 7.045 ( -3.419 11.052 14.245) 18.351 8.575 ( 7.789 0.064 1.660) 7.964 8.707 ( -5.562 -3.054 -0.526) 6.368 9.455 ( 0.417 -2.814 -6.453) 7.052 10.079 ( 6.825 -4.948 5.737) 10.197 10.628 ( 14.100 -2.115 0.608) 14.271 10.815 ( -12.557 -4.210 -6.084) 14.574 11.089 ( 5.925 3.995 -7.822) 10.595 11.179 ( -3.801 3.306 -4.242) 6.586 11.790 ( 3.611 -15.276 -13.448) 20.670 12.242 ( -8.232 17.584 -8.649) 21.255 12.546 ( 5.660 -9.889 -0.900) 11.430 13.014 ( -0.344 -3.089 -7.881) 8.472 13.398 ( 4.649 5.220 -3.480) 7.808 13.616 ( -5.359 8.864 -3.135) 10.822 14.516 ( 0.022 2.731 0.319) 2.749 15.008 ( -5.290 3.613 -10.797) 12.554 15.853 ( -4.308 0.083 27.368) 27.705 17.376 ( -4.687 2.940 2.544) 6.090 18.764 ( 2.630 -0.207 7.133) 7.605 19.744 ( 0.528 2.036 -0.649) 2.201 22.680 ( 0.139 -1.765 12.281) 12.408 22.827 ( -1.380 -1.833 12.258) 12.471 24.600 ( 1.431 -1.833 5.684) 6.142 24.660 ( -1.330 2.375 8.382) 8.813 25.348 ( 9.303 -3.706 -11.958) 15.597 25.483 ( -8.309 1.268 -11.509) 14.251 26.940 ( 3.005 -3.863 9.573) 10.752 27.034 ( -3.064 3.005 8.865) 9.850 28.330 ( 10.607 -3.575 7.670) 13.569 28.633 ( -14.463 0.843 2.901) 14.775 32.211 ( 0.287 -2.529 -3.390) 4.239 32.743 ( 7.012 3.047 -14.265) 16.184 ======================= Grid point 387 (115/216) ======================= q-point: ( 0.09 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.850 ( 23.596 -0.000 40.938) 47.251 4.047 ( 17.303 -0.000 51.924) 54.731 6.312 ( 24.454 -0.000 44.267) 50.572 6.738 ( -22.958 0.000 -35.581) 42.345 7.226 ( 12.787 -0.000 -13.651) 18.705 8.091 ( 38.574 -0.000 -30.380) 49.101 8.421 ( -2.143 0.000 19.215) 19.334 10.023 ( -0.551 0.000 -34.254) 34.258 10.119 ( -1.880 0.000 -36.049) 36.098 11.268 ( -14.407 0.000 4.787) 15.182 11.470 ( -5.685 0.000 5.757) 8.091 11.618 ( -1.014 0.000 -0.748) 1.260 11.930 ( 4.480 -0.000 -9.556) 10.554 12.344 ( 6.889 -0.000 2.093) 7.200 13.150 ( -14.832 0.000 3.269) 15.188 13.459 ( -2.444 0.000 1.641) 2.944 14.043 ( 3.357 -0.000 12.475) 12.919 14.209 ( -15.778 0.000 12.697) 20.252 14.578 ( -0.217 0.000 2.740) 2.748 15.376 ( -19.591 0.000 -10.821) 22.380 16.450 ( 8.032 -0.000 -0.447) 8.045 17.670 ( -2.158 0.000 -37.411) 37.473 19.422 ( 7.792 -0.000 29.436) 30.450 19.431 ( 4.533 -0.000 29.093) 29.444 22.283 ( -6.567 0.000 10.532) 12.411 22.666 ( -5.675 0.000 -1.523) 5.876 24.511 ( 4.486 -0.000 -3.608) 5.757 24.606 ( 2.112 -0.000 -6.043) 6.402 25.240 ( -2.125 0.000 2.390) 3.198 25.474 ( -3.202 0.000 -2.522) 4.076 26.799 ( 4.993 -0.000 -1.284) 5.155 26.861 ( -2.534 0.000 -0.836) 2.669 27.760 ( -0.749 0.000 24.036) 24.048 29.220 ( -43.397 0.000 -0.350) 43.398 31.749 ( 3.679 -0.000 -0.142) 3.682 32.432 ( 52.949 -0.000 -22.859) 57.673 ======================= Grid point 388 (116/216) ======================= q-point: ( 0.18 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.171 ( 25.620 -8.763 32.247) 42.108 4.460 ( 20.486 -21.476 45.783) 54.562 6.564 ( -9.566 -2.943 -23.197) 25.265 6.754 ( 30.115 -14.378 32.884) 46.851 7.426 ( 19.590 -4.831 -11.930) 23.440 8.387 ( 5.553 -2.135 12.565) 13.902 8.585 ( 25.827 -10.799 -20.414) 34.646 9.749 ( -0.199 17.013 -29.743) 34.266 10.348 ( -2.558 -15.352 -35.098) 38.394 11.016 ( -13.547 10.374 8.875) 19.233 11.346 ( -6.782 5.397 5.953) 10.515 11.699 ( -4.649 -8.535 -2.458) 10.025 11.893 ( 1.611 7.117 -9.984) 12.366 12.331 ( 12.158 10.407 -0.154) 16.005 12.851 ( -15.882 10.783 3.191) 19.460 13.451 ( -8.024 4.016 0.525) 8.988 13.917 ( -8.272 2.277 5.918) 10.423 14.170 ( -2.259 -1.881 14.606) 14.898 14.666 ( -5.136 -9.702 2.544) 11.269 15.168 ( -19.357 0.274 -11.374) 22.453 16.438 ( 2.654 7.434 1.340) 8.006 17.672 ( -3.279 -2.341 -32.973) 33.219 19.214 ( 4.209 16.950 30.635) 35.264 19.702 ( 8.793 -8.980 22.937) 26.155 22.262 ( -7.329 -5.940 10.894) 14.411 22.623 ( -6.230 -2.049 -0.096) 6.559 24.527 ( 3.769 2.099 -2.876) 5.185 24.700 ( 4.670 -5.995 -6.902) 10.266 25.136 ( -2.184 7.630 4.781) 9.265 25.478 ( -4.354 -3.555 -4.364) 7.117 26.756 ( -1.327 2.528 3.913) 4.844 26.951 ( 0.469 -6.893 0.932) 6.972 27.778 ( 0.859 -2.629 20.932) 21.114 28.889 ( -30.261 -3.736 1.599) 30.533 31.815 ( 4.441 -2.653 1.442) 5.371 32.873 ( 45.461 6.315 -28.313) 53.927 ======================= Grid point 389 (117/216) ======================= q-point: ( 0.27 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.620 ( 24.107 -13.903 22.252) 35.632 5.096 ( 22.253 -26.931 42.193) 54.779 6.558 ( -6.451 -6.285 -25.945) 27.464 7.287 ( 23.221 -7.108 19.422) 31.095 7.838 ( 30.291 -15.959 -0.279) 34.239 8.525 ( 3.268 -11.238 18.363) 21.776 8.941 ( 11.165 -3.178 -11.734) 16.505 9.563 ( 7.789 4.952 -28.629) 30.080 10.524 ( -4.851 -7.148 -22.353) 23.964 10.748 ( -3.726 7.291 5.952) 10.122 11.150 ( -11.666 5.225 2.187) 12.968 11.674 ( -2.013 8.829 -5.917) 10.817 11.867 ( -1.232 -5.781 -7.917) 9.880 12.304 ( 13.562 5.512 -2.362) 14.829 12.540 ( -9.694 11.468 -0.656) 15.030 13.162 ( -11.140 12.787 0.754) 16.976 13.822 ( -13.690 -0.041 -0.944) 13.722 14.166 ( 3.165 3.648 6.196) 7.856 14.757 ( -9.953 -8.016 7.888) 15.018 15.008 ( -14.257 -1.841 -12.795) 19.245 16.276 ( -0.835 11.512 7.430) 13.727 17.651 ( -5.671 0.475 -22.577) 23.283 18.961 ( 0.967 13.929 26.212) 29.699 19.868 ( 5.786 -1.199 13.720) 14.938 22.343 ( -5.168 -10.288 12.250) 16.811 22.624 ( -4.096 -4.155 3.793) 6.959 24.533 ( 2.777 0.871 -0.644) 2.980 24.842 ( 2.537 -2.289 -2.582) 4.283 25.018 ( 3.014 2.228 1.245) 3.950 25.488 ( -5.265 -2.993 -6.600) 8.958 26.730 ( -3.264 -2.319 7.599) 8.590 27.050 ( -1.187 -4.317 4.114) 6.080 27.884 ( 4.664 -6.711 15.692) 17.693 28.722 ( -18.136 -3.443 0.288) 18.463 31.916 ( 3.219 -4.335 2.195) 5.828 33.103 ( 34.243 12.222 -26.729) 45.126 ======================= Grid point 390 (118/216) ======================= q-point: ( 0.36 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.111 ( 23.577 -15.796 13.896) 31.599 5.779 ( 23.874 -24.611 36.795) 50.294 6.620 ( -1.463 -3.528 -20.080) 20.440 7.425 ( 13.399 8.814 9.510) 18.646 8.313 ( 6.465 -11.817 -2.657) 13.730 8.723 ( 0.216 -0.736 12.462) 12.486 9.126 ( 15.103 -14.157 7.234) 21.929 9.683 ( 4.370 -9.097 -17.395) 20.111 10.499 ( -6.959 -0.314 -1.567) 7.140 10.711 ( 7.239 1.822 -3.330) 8.173 11.050 ( -7.477 -6.145 -11.643) 15.140 11.460 ( -2.621 12.534 -5.314) 13.864 11.948 ( -2.144 -0.060 -7.559) 7.858 12.254 ( 3.980 10.651 -2.545) 11.652 12.412 ( 2.446 -4.068 -7.164) 8.594 12.938 ( -3.059 3.020 -1.377) 4.514 13.643 ( -14.008 3.852 -3.511) 14.947 14.060 ( 0.513 11.323 -4.269) 12.112 14.678 ( -11.090 3.614 5.306) 12.814 14.995 ( -8.125 -7.488 -6.125) 12.633 16.060 ( 0.157 11.978 15.925) 19.928 17.539 ( -5.939 5.222 -8.423) 11.554 18.793 ( -1.886 4.826 15.822) 16.649 19.860 ( -0.996 4.060 4.912) 6.450 22.492 ( -1.804 -10.286 13.569) 17.122 22.680 ( -0.963 -4.907 8.651) 9.992 24.554 ( 2.254 -0.411 2.072) 3.089 24.786 ( -1.475 4.724 7.976) 9.386 25.159 ( 9.050 -6.708 -11.031) 15.767 25.473 ( -6.103 -1.635 -8.234) 10.378 26.769 ( -3.175 -5.731 9.196) 11.291 27.070 ( -3.397 -0.986 7.622) 8.403 28.088 ( 7.423 -9.267 10.199) 15.652 28.623 ( -9.875 -0.836 0.698) 9.935 32.016 ( 0.055 -5.130 2.002) 5.507 33.148 ( 24.087 15.430 -22.746) 36.547 ======================= Grid point 391 (119/216) ======================= q-point: ( 0.45 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.620 ( 23.401 -15.820 6.329) 28.947 6.351 ( 15.601 -14.612 23.024) 31.416 6.596 ( 8.125 7.107 -2.059) 10.990 7.299 ( 5.784 16.459 9.753) 19.987 8.421 ( -11.160 -6.029 1.492) 12.772 8.742 ( 4.955 -2.700 11.545) 12.850 9.357 ( -2.101 -4.358 -10.004) 11.113 9.967 ( 1.362 -11.969 3.355) 12.504 10.477 ( -10.791 -9.355 -2.054) 14.428 10.798 ( 8.066 0.803 -7.137) 10.800 11.124 ( -3.288 -4.156 -12.692) 13.753 11.273 ( 3.857 4.446 -3.053) 6.630 11.749 ( -0.721 9.576 -8.932) 13.115 12.355 ( -4.780 -3.280 -8.713) 10.465 12.439 ( 7.858 -3.553 -3.111) 9.168 12.974 ( 3.908 -2.323 -4.300) 6.257 13.447 ( -9.725 4.677 -2.537) 11.085 13.811 ( -2.218 14.668 -7.394) 16.575 14.507 ( -9.428 2.623 0.862) 9.824 15.016 ( -2.207 -0.368 -5.142) 5.608 15.927 ( 6.794 6.010 23.991) 25.649 17.400 ( -2.426 4.604 2.338) 5.705 18.737 ( -4.705 -0.935 7.068) 8.542 19.750 ( -6.658 3.077 -0.639) 7.363 22.635 ( 1.020 -6.096 13.157) 14.537 22.761 ( 1.060 -4.212 12.557) 13.287 24.588 ( 1.759 -1.151 4.804) 5.244 24.702 ( -0.932 3.568 8.022) 8.829 25.354 ( 6.822 -5.186 -12.992) 15.563 25.425 ( -4.715 -0.161 -9.851) 10.922 26.855 ( -2.314 -7.183 9.439) 12.085 27.029 ( -4.261 1.084 9.596) 10.555 28.290 ( 0.720 -6.240 7.076) 9.462 28.582 ( 3.528 -0.759 2.112) 4.182 32.084 ( -4.480 -5.208 1.045) 6.949 33.065 ( 15.303 16.367 -18.898) 29.312 ======================= Grid point 392 (120/216) ======================= q-point: ( 0.55 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.976 ( 10.413 5.515 -0.023) 11.784 6.410 ( 14.624 -0.245 10.335) 17.909 6.772 ( 10.679 6.193 11.888) 17.138 7.050 ( 6.281 9.217 18.792) 21.852 8.362 ( -17.760 -5.488 9.110) 20.700 8.864 ( 10.192 1.134 -4.699) 11.280 9.395 ( -5.862 -5.993 -5.536) 10.046 9.988 ( -14.830 -1.234 1.516) 14.958 10.438 ( -20.588 -1.860 -0.922) 20.692 10.882 ( 6.417 -6.732 -5.157) 10.634 11.072 ( -0.883 6.830 -9.315) 11.585 11.285 ( 6.443 4.269 -10.871) 13.338 11.896 ( 6.260 -14.628 -14.032) 21.214 12.150 ( -0.222 10.969 -1.355) 11.055 12.622 ( 1.278 1.443 3.408) 3.915 13.008 ( -0.352 -3.938 -11.543) 12.201 13.280 ( -10.342 4.504 0.972) 11.322 13.624 ( 1.569 3.777 -11.525) 12.230 14.433 ( -5.600 -2.307 2.119) 6.416 15.023 ( 4.941 -1.202 -8.457) 9.868 15.984 ( 16.370 1.818 27.342) 31.920 17.375 ( 3.163 -1.972 8.930) 9.677 18.699 ( -7.311 -0.883 2.262) 7.704 19.657 ( -9.453 -2.084 -2.466) 9.989 22.708 ( 2.281 -0.566 12.172) 12.397 22.837 ( 2.382 -2.357 13.559) 13.967 24.611 ( -0.585 0.493 7.517) 7.555 24.657 ( 1.259 0.614 6.443) 6.594 25.312 ( -8.029 2.418 -9.153) 12.413 25.532 ( 8.377 -3.005 -14.450) 16.970 26.946 ( -3.617 -1.081 9.960) 10.651 26.972 ( -1.818 -3.453 8.412) 9.273 28.265 ( -8.506 1.896 9.344) 12.777 28.761 ( 17.969 -4.838 0.112) 18.609 32.100 ( -9.601 -4.577 -0.349) 10.642 32.898 ( 7.241 15.723 -15.814) 23.446 ======================= Grid point 393 (121/216) ======================= q-point: (-0.36 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.699 ( 5.520 26.274 13.631) 30.110 6.321 ( -8.609 25.786 26.758) 38.145 6.867 ( 28.681 -7.829 -7.569) 30.679 7.101 ( 0.843 -0.026 12.444) 12.473 8.337 ( -10.324 -9.117 11.608) 18.012 8.837 ( 3.305 10.486 -15.497) 19.001 9.316 ( -14.569 7.913 -9.854) 19.286 9.755 ( -22.620 6.395 6.536) 24.398 10.358 ( -9.590 -10.368 8.740) 16.609 10.921 ( -0.444 8.237 -12.354) 14.855 11.099 ( 4.355 -9.054 -3.590) 10.669 11.308 ( 9.437 0.908 -10.266) 13.974 11.744 ( -1.856 13.309 -10.172) 16.853 12.365 ( -2.392 6.557 2.063) 7.278 12.462 ( 3.107 -6.845 -10.634) 13.023 12.982 ( -5.555 5.402 -0.329) 7.755 13.268 ( -2.834 -13.189 -9.467) 16.481 13.720 ( 2.708 -11.273 -8.691) 14.490 14.451 ( -4.224 -4.918 4.787) 8.058 15.157 ( 7.053 -5.550 -12.716) 15.564 16.150 ( 23.770 2.789 27.450) 36.419 17.532 ( 8.221 -9.289 13.000) 17.969 18.615 ( -9.534 0.816 -0.347) 9.575 19.638 ( -9.933 -6.479 -0.632) 11.877 22.705 ( 2.326 3.306 11.737) 12.414 22.880 ( 3.543 0.797 11.174) 11.750 24.571 ( -1.375 2.011 5.961) 6.439 24.693 ( 1.803 -2.059 8.317) 8.756 25.172 ( -7.888 4.498 -8.340) 12.329 25.635 ( 6.639 -0.357 -13.713) 15.240 26.866 ( -3.824 3.040 9.264) 10.473 27.061 ( -0.397 -4.989 5.592) 7.504 28.122 ( -7.682 4.635 14.051) 16.671 29.044 ( 23.051 -4.183 -3.654) 23.710 32.049 ( -14.502 -3.222 -1.719) 14.955 32.674 ( -0.415 14.063 -13.382) 19.417 ======================= Grid point 394 (122/216) ======================= q-point: (-0.27 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.267 ( 6.775 31.413 26.724) 41.795 5.731 ( -11.098 29.101 36.138) 47.707 6.952 ( -5.179 5.014 -10.687) 12.891 7.312 ( 25.581 -3.014 0.179) 25.758 8.318 ( -8.741 20.484 -4.449) 22.711 8.535 ( -13.289 6.793 0.810) 14.946 9.007 ( -9.546 4.570 -10.904) 15.196 9.383 ( -19.803 10.470 7.780) 23.713 10.531 ( 2.331 -9.522 4.129) 10.637 10.788 ( 2.849 7.150 -11.619) 13.937 11.271 ( 1.717 -9.417 -4.245) 10.471 11.395 ( 7.931 1.716 -11.791) 14.314 11.664 ( -5.166 -7.127 -11.446) 14.439 12.070 ( -7.314 11.071 -0.550) 13.281 12.585 ( 5.617 2.091 -7.602) 9.681 13.001 ( 2.083 -10.152 5.008) 11.510 13.490 ( -5.880 -14.513 -9.007) 18.065 14.024 ( 8.844 -16.149 -4.171) 18.878 14.515 ( -7.796 -9.876 3.765) 13.133 15.287 ( 5.113 -1.377 -13.434) 14.440 16.316 ( 20.093 4.326 21.948) 30.069 17.825 ( 14.765 -9.991 9.359) 20.135 18.498 ( -13.508 -1.503 2.945) 13.907 19.665 ( -8.281 -6.543 4.728) 11.564 22.647 ( 1.783 5.645 11.118) 12.596 22.882 ( 4.188 3.247 7.123) 8.879 24.525 ( -1.196 1.834 3.740) 4.334 24.759 ( 1.605 -3.785 9.919) 10.738 25.011 ( -6.403 5.782 -6.842) 11.011 25.676 ( 4.433 1.826 -11.879) 12.810 26.778 ( -3.067 3.060 6.998) 8.231 27.118 ( -0.420 -1.771 1.725) 2.508 27.972 ( -4.996 5.081 19.320) 20.593 29.355 ( 27.110 -3.263 -8.236) 28.521 31.927 ( -18.589 -1.655 -2.408) 18.818 32.411 ( -6.460 12.423 -11.126) 17.884 ======================= Grid point 395 (123/216) ======================= q-point: (-0.18 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.730 ( 0.971 35.113 39.008) 52.493 5.158 ( -5.977 27.392 41.784) 50.319 6.848 ( -4.106 1.289 -13.497) 14.167 7.334 ( 2.016 31.259 19.807) 37.061 7.688 ( 10.222 23.330 -18.333) 31.382 8.284 ( -23.914 7.319 -17.987) 30.806 8.928 ( 0.015 15.474 12.067) 19.623 9.157 ( -7.201 -12.093 -15.572) 20.990 10.666 ( 4.338 -2.303 -9.445) 10.646 10.773 ( 0.081 -3.976 -3.172) 5.087 11.406 ( 4.109 -0.358 -12.798) 13.446 11.521 ( 7.359 -9.804 -6.416) 13.836 11.729 ( -12.089 -9.016 -4.103) 15.629 11.910 ( -2.598 1.768 -3.237) 4.511 12.670 ( 5.649 -6.514 -4.224) 9.602 13.286 ( 10.621 -14.401 8.804) 19.942 13.604 ( -13.038 -9.982 -2.029) 16.546 14.313 ( 11.318 -1.095 8.436) 14.158 14.720 ( -7.412 -25.592 -7.771) 27.753 15.282 ( 3.012 7.070 -9.030) 11.857 16.382 ( 8.265 3.981 11.676) 14.849 18.025 ( 12.695 7.589 -19.960) 24.843 18.512 ( -10.957 -18.282 28.722) 35.766 19.681 ( -4.672 -2.277 12.318) 13.369 22.555 ( 1.083 6.378 10.488) 12.323 22.855 ( 3.185 4.156 2.925) 5.997 24.486 ( -0.827 1.412 1.380) 2.140 24.834 ( -0.063 3.003 -1.345) 3.291 24.883 ( -2.311 -3.141 6.274) 7.388 25.665 ( 2.145 3.119 -9.398) 10.131 26.709 ( -1.849 1.885 3.850) 4.668 27.107 ( -0.712 2.335 -2.316) 3.365 27.861 ( -1.748 3.775 23.843) 24.203 29.679 ( 25.466 -3.194 -14.244) 29.353 31.751 ( -19.542 -0.580 -1.416) 19.602 32.133 ( -6.809 11.651 -8.256) 15.820 ======================= Grid point 396 (124/216) ======================= q-point: (-0.09 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.152 ( 0.000 29.931 46.968) 55.694 4.635 ( 0.000 30.841 45.114) 54.648 6.578 ( 0.000 29.808 35.832) 46.609 6.945 ( -0.000 -0.542 -20.250) 20.257 7.509 ( 0.000 14.474 -27.177) 30.791 7.924 ( 0.000 16.291 -22.447) 27.736 8.632 ( 0.000 13.673 12.516) 18.537 9.430 ( -0.000 -18.656 -23.284) 29.836 10.608 ( 0.000 9.776 -30.617) 32.140 10.987 ( -0.000 -17.436 9.544) 19.877 11.426 ( -0.000 -0.140 -7.825) 7.826 11.722 ( -0.000 -7.194 -7.893) 10.679 11.792 ( -0.000 -3.860 -1.285) 4.068 11.942 ( -0.000 -8.548 2.628) 8.943 12.888 ( -0.000 -14.085 -6.718) 15.605 13.577 ( -0.000 -2.402 -2.607) 3.545 13.681 ( -0.000 -16.469 19.914) 25.842 14.325 ( 0.000 3.361 11.905) 12.371 15.099 ( 0.000 15.258 -3.197) 15.589 15.151 ( -0.000 -24.354 -11.090) 26.760 16.361 ( 0.000 2.405 3.854) 4.543 17.893 ( 0.000 10.565 -31.962) 33.662 18.819 ( -0.000 -19.502 34.419) 39.560 19.646 ( 0.000 3.579 19.660) 19.983 22.458 ( 0.000 5.467 10.253) 11.619 22.802 ( 0.000 3.792 0.076) 3.793 24.463 ( 0.000 0.701 -0.776) 1.046 24.719 ( 0.000 6.270 -5.825) 8.558 25.014 ( -0.000 -9.290 9.579) 13.344 25.616 ( 0.000 3.706 -6.748) 7.698 26.685 ( -0.000 -0.333 0.698) 0.774 27.034 ( 0.000 5.315 -4.532) 6.985 27.805 ( 0.000 2.140 25.826) 25.914 29.884 ( -0.000 -2.117 -19.381) 19.496 31.631 ( -0.000 -0.232 0.459) 0.514 31.910 ( 0.000 9.427 -5.285) 10.807 ======================= Grid point 399 (125/216) ======================= q-point: ( 0.18 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.399 ( 30.586 -0.000 23.045) 38.296 4.486 ( 25.109 -0.000 45.570) 52.030 6.475 ( -2.238 0.000 -31.258) 31.338 7.014 ( 44.375 -0.000 42.527) 61.463 7.585 ( 22.591 -0.000 -5.327) 23.210 8.387 ( -0.441 0.000 14.623) 14.630 8.789 ( 29.314 -0.000 -25.229) 38.676 10.006 ( -0.958 0.000 -33.144) 33.158 10.060 ( -4.222 0.000 -31.492) 31.774 10.956 ( -14.757 0.000 6.773) 16.237 11.389 ( -2.203 0.000 7.731) 8.038 11.509 ( -10.163 0.000 2.173) 10.393 11.954 ( -2.971 0.000 -12.150) 12.508 12.566 ( 14.768 -0.000 -3.696) 15.223 12.781 ( -21.018 0.000 8.845) 22.803 13.356 ( -8.838 0.000 0.269) 8.842 13.891 ( -13.629 0.000 17.332) 22.049 14.055 ( -2.371 0.000 -4.804) 5.357 14.602 ( 2.629 -0.000 6.816) 7.305 14.921 ( -25.294 0.000 -10.333) 27.323 16.504 ( -3.897 0.000 0.803) 3.978 17.639 ( -0.463 0.000 -34.116) 34.119 19.532 ( 5.137 -0.000 28.237) 28.700 19.600 ( 9.136 -0.000 27.261) 28.751 22.116 ( -9.721 0.000 10.972) 14.659 22.545 ( -5.659 0.000 -0.692) 5.701 24.624 ( 6.651 -0.000 -4.022) 7.773 24.660 ( 3.144 -0.000 -6.788) 7.480 25.186 ( -3.172 0.000 1.685) 3.592 25.391 ( -4.873 0.000 -2.848) 5.644 26.706 ( -13.505 0.000 11.798) 17.932 26.908 ( 5.002 -0.000 2.486) 5.586 27.764 ( 1.864 -0.000 18.248) 18.343 28.653 ( -11.995 0.000 -0.062) 11.995 31.844 ( 5.555 -0.000 4.585) 7.203 33.347 ( 37.389 -0.000 -34.109) 50.610 ======================= Grid point 400 (126/216) ======================= q-point: ( 0.27 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.740 ( 30.742 -5.146 18.468) 36.230 4.921 ( 25.341 -19.178 39.231) 50.488 6.512 ( 8.707 -0.099 -23.078) 24.666 7.508 ( 39.491 -3.363 25.126) 46.928 7.897 ( 24.288 -9.194 7.628) 27.067 8.431 ( 6.522 -4.291 11.725) 14.086 9.026 ( 10.932 -0.221 -18.775) 21.727 9.757 ( 1.127 12.109 -28.998) 31.445 10.275 ( -4.570 -14.439 -30.023) 33.627 10.812 ( -4.437 3.028 4.849) 7.237 11.178 ( -10.815 10.684 11.835) 19.266 11.589 ( -5.835 -11.034 -0.231) 12.484 11.849 ( -6.939 5.152 -10.517) 13.613 12.472 ( -11.699 9.525 3.890) 15.579 12.670 ( 11.981 4.659 -4.465) 13.608 13.235 ( -12.709 5.868 1.770) 14.110 13.715 ( -11.069 3.960 -0.382) 11.762 14.104 ( -5.287 -7.605 3.092) 9.765 14.607 ( -3.193 -0.753 3.211) 4.591 14.768 ( -16.620 -6.462 -5.013) 18.524 16.388 ( -8.750 4.917 4.251) 10.899 17.639 ( 0.436 0.514 -29.587) 29.594 19.271 ( 1.288 21.120 29.217) 36.074 19.864 ( 6.848 -7.525 19.873) 22.326 22.097 ( -8.713 -8.680 12.396) 17.462 22.527 ( -2.887 -3.306 1.414) 4.612 24.606 ( 4.065 3.834 -2.952) 6.320 24.802 ( 5.090 -6.168 -6.416) 10.252 25.095 ( -1.600 4.949 2.296) 5.685 25.382 ( -5.020 -3.368 -4.820) 7.731 26.590 ( -13.764 -3.652 14.809) 20.544 26.978 ( 1.346 -3.086 5.336) 6.309 27.829 ( 4.686 -4.146 14.290) 15.600 28.605 ( -0.698 -0.181 -3.315) 3.393 31.910 ( 4.962 -1.286 6.582) 8.343 33.595 ( 27.603 8.137 -32.959) 43.755 ======================= Grid point 401 (127/216) ======================= q-point: ( 0.36 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.170 ( 30.206 -9.575 12.371) 34.016 5.588 ( 26.242 -26.799 33.787) 50.481 6.640 ( 15.944 -0.369 -13.443) 20.858 7.771 ( 24.402 9.285 9.530) 27.793 8.218 ( 4.978 -7.456 10.617) 13.896 8.683 ( 7.798 -4.332 11.171) 14.296 9.074 ( 9.455 -7.604 -4.005) 12.777 9.638 ( -1.543 3.554 -26.245) 26.530 10.393 ( -8.845 -4.558 -14.505) 17.590 10.806 ( 5.109 -0.614 -1.248) 5.295 10.932 ( -7.210 3.129 3.978) 8.809 11.592 ( -6.699 6.979 -6.510) 11.661 11.784 ( -6.197 -9.431 -4.557) 12.170 12.305 ( -4.464 0.604 -1.886) 4.884 12.641 ( 8.533 14.259 -5.514) 17.508 12.981 ( -4.544 6.199 -0.178) 7.688 13.538 ( -13.723 1.466 -5.943) 15.027 14.136 ( -6.999 -0.503 -9.790) 12.045 14.600 ( -6.033 -0.984 12.878) 14.255 14.769 ( -6.043 -8.487 -2.464) 10.706 16.203 ( -8.467 5.852 9.873) 14.262 17.615 ( 2.790 4.573 -17.866) 18.652 18.916 ( -5.308 15.818 22.920) 28.350 19.927 ( 0.064 4.110 8.943) 9.842 22.233 ( -5.488 -14.451 15.387) 21.811 22.601 ( 1.519 -5.533 6.093) 8.370 24.592 ( 3.215 1.921 0.012) 3.745 24.849 ( -1.051 3.595 4.227) 5.648 25.123 ( 6.434 -6.103 -8.907) 12.569 25.385 ( -4.823 -2.399 -6.920) 8.770 26.570 ( -11.499 -8.303 13.987) 19.919 27.016 ( -2.121 -1.668 8.019) 8.461 27.997 ( 6.854 -8.233 9.839) 14.545 28.610 ( 3.874 1.785 -3.545) 5.547 31.973 ( 2.517 -1.454 7.260) 7.820 33.630 ( 19.552 14.219 -28.556) 37.415 ======================= Grid point 402 (128/216) ======================= q-point: ( 0.45 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.652 ( 29.596 -11.837 6.667) 32.565 6.273 ( 24.846 -20.418 25.643) 41.131 6.814 ( 21.439 2.546 -3.210) 21.827 7.695 ( 10.797 18.435 7.943) 22.793 8.275 ( -6.180 -0.060 8.880) 10.819 8.649 ( -6.395 -2.910 17.893) 19.223 9.346 ( 3.656 1.004 -16.088) 16.529 9.708 ( -0.479 -16.444 -8.893) 18.701 10.282 ( -12.899 -0.501 1.596) 13.007 10.844 ( -6.696 -1.327 -12.572) 14.306 10.974 ( 6.771 -6.913 -10.294) 14.128 11.394 ( -3.897 7.577 -4.977) 9.868 11.873 ( -3.642 0.570 -4.338) 5.693 12.248 ( -1.141 0.727 -4.860) 5.045 12.492 ( 3.446 2.034 -5.519) 6.817 12.998 ( 6.285 -1.985 -0.860) 6.647 13.411 ( -7.163 1.717 -4.552) 8.659 13.976 ( -8.895 8.736 -19.696) 23.310 14.480 ( -6.594 5.244 10.617) 13.554 14.928 ( 1.773 -8.901 2.998) 9.558 16.061 ( -2.596 2.468 17.875) 18.231 17.529 ( 5.268 9.838 0.950) 11.200 18.679 ( -8.616 3.189 8.209) 12.320 19.764 ( -8.293 8.444 -0.170) 11.836 22.450 ( -2.011 -14.066 16.851) 22.042 22.723 ( 4.354 -4.604 10.510) 12.273 24.601 ( 2.542 0.412 3.396) 4.262 24.759 ( -1.280 4.248 6.720) 8.053 25.305 ( 2.170 -5.335 -9.703) 11.283 25.382 ( 0.426 -2.871 -12.056) 12.400 26.638 ( -8.916 -11.028 12.259) 18.746 26.999 ( -3.506 0.148 9.671) 10.288 28.203 ( 5.001 -6.761 6.654) 10.724 28.634 ( 7.537 0.407 -1.761) 7.751 32.002 ( -1.301 -0.980 6.867) 7.057 33.512 ( 13.224 17.803 -23.923) 32.621 ======================= Grid point 403 (129/216) ======================= q-point: ( 0.55 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.124 ( 26.232 -8.295 1.173) 27.537 6.625 ( 15.589 4.263 10.785) 19.430 7.004 ( 26.389 2.505 15.083) 30.498 7.423 ( 5.874 20.523 12.498) 24.737 8.115 ( -17.248 1.436 13.897) 22.197 8.815 ( 1.621 -16.691 18.431) 24.919 9.256 ( -7.394 2.331 -20.162) 21.601 9.797 ( -17.008 -1.960 -3.061) 17.392 10.248 ( -10.391 -2.011 -5.542) 11.947 10.799 ( -4.341 -5.034 -13.690) 15.218 11.145 ( -1.454 1.028 -15.095) 15.200 11.298 ( -0.657 -5.690 -10.655) 12.097 11.787 ( 6.035 -0.490 -4.602) 7.605 12.274 ( -2.873 1.716 -0.151) 3.350 12.607 ( 6.750 -6.609 -2.890) 9.879 13.024 ( 1.027 5.966 -2.062) 6.395 13.317 ( -1.445 4.631 -0.875) 4.930 13.722 ( -6.691 9.258 -22.307) 25.061 14.366 ( -3.672 0.977 7.530) 8.434 15.043 ( 3.939 -1.662 -2.101) 4.764 16.129 ( 11.536 -5.805 26.653) 29.617 17.410 ( 1.512 6.860 17.332) 18.702 18.621 ( -3.768 -2.328 -4.735) 6.484 19.530 ( -15.274 3.843 -5.375) 16.642 22.646 ( 0.410 -9.044 15.319) 17.795 22.830 ( 4.740 -2.451 13.340) 14.367 24.618 ( 1.065 0.329 7.674) 7.754 24.693 ( 0.069 2.408 4.899) 5.459 25.279 ( -5.627 1.565 -6.807) 8.969 25.535 ( 7.004 -5.555 -16.667) 18.913 26.761 ( -6.155 -11.549 9.952) 16.441 26.951 ( -3.385 1.324 10.216) 10.843 28.261 ( -0.251 2.467 7.823) 8.207 28.800 ( 12.734 -7.693 -2.256) 15.048 31.978 ( -5.705 -0.190 5.830) 8.159 33.292 ( 7.928 19.606 -20.019) 29.121 ======================= Grid point 404 (130/216) ======================= q-point: (-0.36 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.223 ( 14.919 20.636 7.232) 26.471 6.676 ( 7.346 13.759 20.377) 25.662 7.023 ( 12.589 4.580 1.305) 13.460 7.265 ( 13.109 10.881 17.116) 24.150 8.044 ( -10.464 -11.782 21.381) 26.561 9.008 ( 3.262 3.910 -18.676) 19.358 9.218 ( -11.175 -6.310 -5.630) 14.014 9.591 ( -21.203 2.145 -1.889) 21.395 10.088 ( -12.904 -2.909 3.366) 13.650 10.924 ( 0.235 -5.713 -11.980) 13.275 11.034 ( -3.918 -0.258 -10.899) 11.584 11.440 ( 9.220 -1.754 -18.962) 21.157 11.983 ( 2.113 6.142 -5.228) 8.338 12.185 ( 1.835 -11.564 4.319) 12.480 12.584 ( -3.992 13.399 7.243) 15.745 12.950 ( -4.598 -0.818 -12.022) 12.897 13.216 ( 3.495 5.150 -1.639) 6.436 13.597 ( -3.658 -1.295 -22.621) 22.952 14.364 ( -1.468 -2.540 8.115) 8.629 15.123 ( 4.229 -4.053 -8.294) 10.154 16.430 ( 27.007 -3.724 29.893) 40.458 17.358 ( -9.261 -6.800 27.067) 29.405 18.629 ( 4.436 3.591 -11.658) 12.980 19.378 ( -18.094 -6.526 -5.890) 20.117 22.752 ( 1.845 -1.724 12.631) 12.881 22.902 ( 3.391 -1.434 13.588) 14.078 24.594 ( -0.804 2.021 8.505) 8.779 24.689 ( 1.587 -0.478 5.420) 5.668 25.178 ( -5.178 3.727 -6.525) 9.125 25.669 ( 5.135 -2.778 -16.299) 17.313 26.870 ( -3.210 -0.932 9.450) 10.024 26.922 ( -2.838 -6.754 7.119) 10.215 28.165 ( -2.093 6.160 12.813) 14.370 29.100 ( 14.343 -10.679 -6.000) 18.862 31.896 ( -9.478 0.851 4.676) 10.603 33.004 ( 3.466 20.102 -16.739) 26.387 ======================= Grid point 405 (131/216) ======================= q-point: (-0.27 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.918 ( 13.481 29.033 22.466) 39.107 6.172 ( -7.362 34.199 30.509) 46.418 6.983 ( -6.665 7.752 -1.228) 10.297 7.479 ( 24.420 -10.751 4.717) 27.095 8.222 ( -3.531 -10.797 14.309) 18.271 8.800 ( -4.717 19.577 -21.307) 29.317 9.000 ( -12.915 11.577 -20.651) 26.969 9.366 ( -11.724 4.106 5.834) 13.725 10.269 ( -1.101 -20.038 14.396) 24.697 10.897 ( -1.270 3.264 -15.779) 16.163 11.149 ( 1.243 -8.684 -4.067) 9.670 11.527 ( 10.789 5.867 -11.083) 16.543 11.685 ( -4.946 11.465 -10.549) 16.346 12.253 ( -4.469 16.762 5.161) 18.099 12.589 ( 6.575 -17.378 -4.454) 19.107 12.818 ( -8.361 2.983 -0.522) 8.892 13.297 ( 2.762 -6.966 -10.873) 13.205 13.721 ( -1.361 -17.117 -17.238) 24.330 14.395 ( -1.318 -2.128 9.379) 9.707 15.251 ( 2.366 -5.900 -13.292) 14.734 16.641 ( 20.235 9.228 26.591) 34.666 17.545 ( -6.839 -25.337 33.705) 42.717 18.539 ( 2.214 10.919 -17.004) 20.329 19.412 ( -9.641 -12.431 -0.983) 15.762 22.747 ( 1.353 3.682 11.506) 12.156 22.942 ( 2.018 0.170 10.103) 10.304 24.550 ( -0.610 2.144 6.250) 6.636 24.723 ( 0.991 -1.936 8.297) 8.578 25.058 ( -3.247 5.177 -5.963) 8.539 25.730 ( 2.596 0.070 -14.700) 14.928 26.809 ( -1.607 3.136 8.584) 9.279 27.038 ( -1.161 -6.646 2.789) 7.301 28.034 ( -1.802 6.311 18.401) 19.537 29.425 ( 12.292 -11.134 -11.049) 19.929 31.771 ( -9.866 2.103 3.995) 10.849 32.681 ( 0.402 19.334 -13.707) 23.703 ======================= Grid point 406 (132/216) ======================= q-point: (-0.18 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.413 ( 0.000 40.615 36.829) 54.826 5.576 ( 0.000 25.670 34.238) 42.792 6.845 ( 0.000 3.141 -7.916) 8.516 7.771 ( 0.000 2.695 9.524) 9.898 8.117 ( 0.000 15.294 -11.727) 19.272 8.349 ( 0.000 25.638 -16.499) 30.488 8.885 ( -0.000 -8.757 -12.852) 15.552 9.185 ( 0.000 11.093 14.424) 18.196 10.570 ( -0.000 -12.951 4.500) 13.711 10.802 ( 0.000 6.692 -14.589) 16.051 11.314 ( -0.000 -9.145 -2.387) 9.451 11.470 ( -0.000 -2.886 9.206) 9.647 11.606 ( 0.000 2.568 -36.355) 36.446 11.985 ( 0.000 10.003 1.985) 10.198 12.665 ( 0.000 2.419 -1.853) 3.047 13.007 ( -0.000 -20.818 5.810) 21.613 13.422 ( -0.000 -6.223 -9.717) 11.539 14.144 ( -0.000 -29.879 -12.774) 32.495 14.401 ( 0.000 0.255 10.527) 10.530 15.338 ( -0.000 -1.866 -14.273) 14.395 16.554 ( 0.000 9.683 20.444) 22.621 18.005 ( -0.000 -27.717 36.483) 45.818 18.325 ( 0.000 13.326 -22.398) 26.063 19.559 ( -0.000 -8.754 5.903) 10.558 22.668 ( 0.000 5.920 10.860) 12.369 22.929 ( 0.000 2.543 5.864) 6.391 24.512 ( 0.000 1.929 3.807) 4.268 24.779 ( -0.000 -4.075 10.494) 11.257 24.943 ( 0.000 6.160 -5.725) 8.410 25.722 ( 0.000 2.099 -12.245) 12.423 26.745 ( 0.000 3.172 6.350) 7.098 27.108 ( -0.000 -2.021 -0.653) 2.123 27.926 ( 0.000 5.016 22.614) 23.164 29.682 ( -0.000 -9.674 -15.746) 18.480 31.668 ( 0.000 2.390 3.356) 4.120 32.365 ( 0.000 16.971 -10.649) 20.035 ======================= Grid point 411 (133/216) ======================= q-point: ( 0.27 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.961 ( 22.002 -0.000 36.905) 42.966 5.039 ( 34.068 -0.000 13.463) 36.631 6.684 ( 22.875 -0.000 -18.809) 29.615 7.852 ( 27.874 -0.000 35.500) 45.135 8.055 ( 26.160 -0.000 3.784) 26.432 8.515 ( 20.647 -0.000 4.912) 21.223 9.092 ( -1.606 0.000 -16.293) 16.372 9.982 ( -2.211 0.000 -26.618) 26.710 9.995 ( -0.057 0.000 -32.060) 32.060 10.793 ( -1.478 0.000 2.351) 2.777 11.203 ( -20.026 0.000 8.086) 21.597 11.380 ( 1.247 -0.000 9.288) 9.372 11.800 ( -12.374 0.000 -10.284) 16.090 12.398 ( -15.214 0.000 4.499) 15.865 12.886 ( 16.134 -0.000 -7.750) 17.899 13.128 ( -12.437 0.000 0.942) 12.472 13.671 ( -12.422 0.000 8.821) 15.236 13.962 ( -6.831 0.000 -15.062) 16.539 14.465 ( -17.183 0.000 -2.761) 17.403 14.673 ( 4.637 -0.000 9.183) 10.287 16.286 ( -17.670 0.000 5.511) 18.510 17.656 ( 1.955 -0.000 -32.449) 32.508 19.617 ( 3.230 -0.000 27.540) 27.729 19.749 ( 5.398 -0.000 25.463) 26.029 21.927 ( -8.757 0.000 12.489) 15.253 22.466 ( -2.152 0.000 -0.015) 2.152 24.724 ( 3.255 -0.000 -7.717) 8.375 24.759 ( 6.732 -0.000 -2.456) 7.166 25.122 ( -3.179 0.000 1.055) 3.349 25.295 ( -4.540 0.000 -4.564) 6.437 26.400 ( -15.314 0.000 19.652) 24.914 26.968 ( 1.014 -0.000 6.675) 6.752 27.846 ( 6.206 -0.000 12.043) 13.548 28.651 ( 7.877 -0.000 -7.360) 10.780 31.954 ( 5.286 -0.000 9.709) 11.055 33.899 ( 19.595 -0.000 -33.903) 39.158 ======================= Grid point 412 (134/216) ======================= q-point: ( 0.36 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.295 ( 23.444 -11.443 25.370) 36.389 5.469 ( 31.040 -12.972 17.033) 37.707 6.918 ( 30.622 3.762 -9.674) 32.333 8.031 ( 3.751 -3.942 39.920) 40.290 8.282 ( 22.896 5.848 -9.342) 25.410 8.789 ( 16.573 2.215 0.717) 16.736 9.038 ( 4.418 -4.036 -5.013) 7.806 9.764 ( -0.899 11.510 -27.499) 29.824 10.185 ( -5.913 -9.864 -23.000) 25.715 10.744 ( -14.009 0.674 5.142) 14.938 10.999 ( 2.249 3.098 2.671) 4.668 11.507 ( -1.267 -9.179 3.278) 9.829 11.630 ( -13.838 2.549 -5.975) 15.287 12.272 ( -4.926 0.211 0.496) 4.955 12.899 ( 0.885 8.998 -8.087) 12.130 13.043 ( -0.980 4.332 1.091) 4.574 13.446 ( -15.477 3.924 -8.166) 17.934 13.966 ( -9.284 -6.933 -11.513) 16.334 14.445 ( -3.599 -8.932 5.525) 11.102 14.714 ( 4.087 1.147 9.980) 10.846 16.089 ( -20.888 -0.247 8.659) 22.613 17.690 ( 4.263 -0.757 -29.323) 29.640 19.264 ( -1.850 27.322 28.807) 39.746 19.957 ( 2.516 -4.435 16.843) 17.598 21.942 ( -6.650 -10.599 15.286) 19.754 22.510 ( 0.746 -5.888 2.457) 6.424 24.685 ( 3.890 4.595 -3.025) 6.738 24.875 ( 1.737 -1.180 -0.475) 2.153 25.088 ( 1.109 -1.977 -3.360) 4.053 25.293 ( -3.633 -3.309 -7.092) 8.628 26.313 ( -12.808 -5.967 19.152) 23.801 26.979 ( -1.101 -0.853 8.240) 8.356 27.955 ( 7.292 -4.810 9.385) 12.821 28.722 ( 9.521 2.409 -8.391) 12.918 32.000 ( 3.913 0.293 11.269) 11.933 33.988 ( 13.330 8.080 -31.127) 34.812 ======================= Grid point 413 (135/216) ======================= q-point: ( 0.45 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.754 ( 28.072 -11.437 11.431) 32.396 6.088 ( 23.471 -26.018 21.492) 41.107 7.158 ( 33.586 5.292 0.074) 34.001 8.050 ( -0.681 11.270 14.143) 18.097 8.210 ( -4.769 1.748 22.819) 23.378 8.754 ( 9.575 13.187 -2.233) 16.449 9.321 ( 7.742 -11.542 -8.908) 16.507 9.567 ( -4.586 6.513 -22.396) 23.770 10.145 ( -14.792 -0.594 -0.917) 14.832 10.656 ( -10.791 -5.675 -14.351) 18.831 11.036 ( 7.523 1.490 -7.997) 11.080 11.415 ( -12.801 4.014 -7.411) 15.326 11.735 ( 4.029 -12.361 5.075) 13.957 12.297 ( 2.250 0.363 -2.761) 3.580 12.594 ( -9.045 12.532 -8.131) 17.463 13.012 ( 2.513 -1.167 0.988) 2.941 13.372 ( -1.271 -1.821 -7.986) 8.289 13.927 ( -12.408 -0.697 -23.586) 26.660 14.554 ( 2.140 3.201 15.889) 16.349 14.792 ( 6.916 -9.462 9.289) 14.955 15.915 ( -20.137 -4.207 13.867) 24.809 17.762 ( 11.352 2.449 -16.846) 20.461 18.766 ( -9.610 21.062 21.532) 31.616 19.884 ( -3.672 11.008 4.503) 12.447 22.144 ( -3.326 -17.376 19.294) 26.177 22.657 ( 3.431 -7.753 7.187) 11.114 24.657 ( 3.354 2.765 1.016) 4.464 24.818 ( -1.901 4.369 5.035) 6.932 25.220 ( 1.684 -6.646 -7.071) 9.850 25.328 ( 0.576 -4.015 -13.066) 13.681 26.345 ( -10.129 -10.681 17.003) 22.490 26.970 ( -2.311 -0.121 9.381) 9.662 28.140 ( 6.876 -7.694 6.581) 12.239 28.751 ( 8.146 3.869 -6.656) 11.208 32.012 ( 1.374 1.501 11.477) 11.656 33.902 ( 8.902 14.201 -27.207) 31.955 ======================= Grid point 414 (136/216) ======================= q-point: ( 0.55 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.223 ( 27.158 -10.942 2.950) 29.427 6.718 ( 18.921 -18.331 17.592) 31.678 7.358 ( 23.681 6.964 10.054) 26.653 7.680 ( -4.835 17.212 10.892) 20.934 8.272 ( 5.117 8.096 19.279) 21.527 8.504 ( -8.636 1.031 25.567) 27.006 9.259 ( -13.777 7.121 -18.821) 24.387 9.642 ( -1.826 -3.819 -13.741) 14.378 10.089 ( -6.509 -9.326 -11.577) 16.228 10.647 ( -5.925 -2.966 -18.483) 19.635 11.097 ( -4.213 -1.203 -14.871) 15.504 11.214 ( -7.850 0.750 -10.124) 12.832 11.897 ( 5.468 3.333 -0.143) 6.406 12.215 ( -2.910 -2.228 0.079) 3.666 12.566 ( 3.995 -4.457 -4.999) 7.799 13.105 ( 4.977 -2.455 1.434) 5.732 13.384 ( 2.220 2.149 -3.560) 4.714 13.768 ( -10.304 5.223 -30.223) 32.355 14.431 ( 0.447 8.611 14.718) 17.058 15.048 ( 9.277 -5.308 4.876) 11.748 15.916 ( -11.225 -17.259 25.134) 32.490 17.723 ( 12.582 19.289 15.404) 27.706 18.497 ( -8.952 -4.370 -5.446) 11.353 19.571 ( -9.656 15.885 -4.771) 19.192 22.422 ( -0.829 -16.159 19.823) 25.588 22.811 ( 3.839 -5.382 10.997) 12.832 24.650 ( 2.281 1.655 6.196) 6.807 24.735 ( -1.255 3.087 3.779) 5.039 25.252 ( -3.076 0.015 -5.184) 6.028 25.479 ( 4.879 -7.592 -18.195) 20.310 26.472 ( -6.852 -13.512 14.190) 20.757 26.941 ( -2.188 0.782 10.001) 10.267 28.298 ( 4.102 -2.245 5.110) 6.927 28.795 ( 6.937 -2.377 -4.397) 8.550 31.973 ( -1.349 2.996 10.740) 11.232 33.690 ( 5.399 18.320 -23.507) 30.287 ======================= Grid point 415 (137/216) ======================= q-point: ( 0.64 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.610 ( 20.268 -0.483 -4.348) 20.734 6.894 ( 9.148 8.383 12.277) 17.455 7.289 ( -9.562 9.751 16.183) 21.176 7.595 ( 19.555 7.997 24.173) 32.105 7.900 ( -4.824 14.331 23.799) 28.196 8.806 ( -0.992 -26.617 23.059) 35.230 9.041 ( -12.618 0.534 -23.538) 26.712 9.515 ( -6.896 7.930 -14.005) 17.510 10.094 ( -4.729 9.538 -12.704) 16.575 10.747 ( -0.422 -14.078 -15.191) 20.716 10.967 ( -8.936 -0.280 -19.655) 21.593 11.358 ( 2.855 -11.755 -16.103) 20.141 11.913 ( 4.644 -4.625 0.915) 6.618 12.218 ( -2.441 3.755 2.979) 5.378 12.681 ( 1.536 -2.693 -2.382) 3.909 13.040 ( 0.503 12.797 0.179) 12.808 13.356 ( 2.944 4.626 0.258) 5.489 13.594 ( -4.639 4.856 -33.346) 34.015 14.341 ( 0.018 1.595 12.043) 12.148 15.124 ( 2.948 0.413 -3.086) 4.288 16.315 ( 5.847 -29.492 34.313) 45.622 17.399 ( -2.010 21.057 29.387) 36.208 18.681 ( 8.521 -12.863 -14.347) 21.069 19.197 ( -15.486 12.161 -10.801) 22.459 22.654 ( 0.264 -10.554 17.049) 20.053 22.906 ( 2.318 -2.118 13.053) 13.425 24.628 ( 0.103 2.370 10.348) 10.617 24.701 ( 0.478 0.507 2.047) 2.163 25.198 ( -2.238 2.768 -5.434) 6.496 25.635 ( 2.765 -5.686 -18.224) 19.289 26.660 ( -3.100 -13.635 10.449) 17.456 26.903 ( -1.287 1.540 10.054) 10.253 28.276 ( 0.856 6.306 8.242) 10.413 28.990 ( 5.444 -11.875 -5.704) 14.254 31.888 ( -2.713 4.278 9.429) 10.703 33.390 ( 2.326 20.690 -20.205) 29.013 ======================= Grid point 416 (138/216) ======================= q-point: (-0.27 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.419 ( 0.000 22.779 10.389) 25.037 6.782 ( 0.000 35.895 28.970) 46.127 7.035 ( -0.000 -2.973 -2.976) 4.207 7.474 ( 0.000 4.192 15.755) 16.304 7.989 ( -0.000 -14.176 28.069) 31.446 8.976 ( 0.000 3.424 -28.373) 28.579 9.106 ( -0.000 -0.824 -7.903) 7.946 9.348 ( 0.000 4.291 -6.170) 7.515 9.961 ( -0.000 -7.266 8.187) 10.946 10.924 ( 0.000 1.025 -17.463) 17.493 10.986 ( -0.000 -11.255 -8.724) 14.240 11.553 ( -0.000 -7.174 -25.771) 26.751 11.994 ( 0.000 19.806 9.415) 21.930 12.201 ( -0.000 -23.733 -0.436) 23.737 12.534 ( 0.000 17.319 8.985) 19.511 12.902 ( 0.000 4.736 -10.780) 11.774 13.277 ( 0.000 3.428 -2.297) 4.126 13.541 ( -0.000 -2.503 -29.446) 29.553 14.354 ( -0.000 -2.100 10.435) 10.644 15.168 ( -0.000 -4.203 -8.629) 9.598 16.938 ( -0.000 -33.772 37.000) 50.095 17.019 ( 0.000 18.049 28.457) 33.698 18.806 ( 0.000 15.713 -16.219) 22.582 19.077 ( -0.000 -18.404 -7.606) 19.914 22.772 ( -0.000 -2.525 13.141) 13.382 22.940 ( -0.000 -1.005 13.139) 13.177 24.586 ( 0.000 2.334 8.651) 8.960 24.707 ( -0.000 -0.648 5.274) 5.313 25.124 ( 0.000 4.293 -5.488) 6.968 25.721 ( -0.000 -2.687 -16.900) 17.112 26.835 ( -0.000 -2.749 8.806) 9.225 26.890 ( -0.000 -5.957 7.019) 9.206 28.150 ( 0.000 7.744 13.880) 15.894 29.254 ( -0.000 -14.202 -9.150) 16.894 31.791 ( 0.000 4.577 7.576) 8.851 33.038 ( 0.000 21.200 -17.018) 27.185 ======================= Grid point 423 (139/216) ======================= q-point: ( 0.36 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.352 ( 17.856 -0.000 34.790) 39.105 5.709 ( 32.357 -0.000 5.951) 32.900 7.287 ( 34.578 -0.000 -10.926) 36.263 7.966 ( -5.179 0.000 49.780) 50.049 8.565 ( 21.094 -0.000 -21.412) 30.058 8.841 ( -16.672 0.000 -5.412) 17.528 9.221 ( 39.431 -0.000 4.574) 39.695 9.913 ( -9.454 0.000 -15.604) 18.244 10.012 ( 3.102 -0.000 -30.748) 30.904 10.548 ( -24.445 0.000 3.202) 24.654 11.059 ( 7.549 -0.000 -4.550) 8.814 11.443 ( 3.843 -0.000 9.116) 9.893 11.501 ( -15.466 0.000 -2.802) 15.718 12.222 ( -3.071 0.000 -0.849) 3.186 12.911 ( -9.879 0.000 -3.538) 10.493 13.164 ( 11.463 -0.000 -9.736) 15.039 13.289 ( -24.011 0.000 -0.627) 24.019 13.793 ( -9.842 0.000 -19.737) 22.055 14.370 ( 6.746 -0.000 12.397) 14.114 14.788 ( 6.667 -0.000 11.675) 13.445 15.847 ( -25.620 0.000 9.192) 27.219 17.703 ( 2.375 -0.000 -34.057) 34.139 19.660 ( 1.336 -0.000 27.147) 27.180 19.808 ( 0.907 -0.000 24.427) 24.444 21.787 ( -5.251 0.000 14.796) 15.700 22.452 ( 0.356 -0.000 0.321) 0.480 24.783 ( 2.638 -0.000 -8.685) 9.077 24.876 ( 4.732 -0.000 2.811) 5.504 25.066 ( -2.441 0.000 0.822) 2.575 25.225 ( -2.303 0.000 -10.033) 10.294 26.147 ( -9.992 0.000 20.714) 22.998 26.962 ( -1.116 0.000 8.678) 8.750 27.980 ( 6.492 -0.000 8.743) 10.890 28.845 ( 9.834 -0.000 -11.005) 14.758 32.043 ( 3.589 -0.000 13.597) 14.062 34.163 ( 8.267 -0.000 -30.626) 31.723 ======================= Grid point 424 (140/216) ======================= q-point: ( 0.45 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.688 ( 16.328 -18.628 34.268) 42.283 6.054 ( 25.188 -6.394 2.365) 26.094 7.570 ( 29.118 3.939 -8.970) 30.722 7.953 ( -6.923 -5.923 47.903) 48.762 8.462 ( -1.166 20.629 0.680) 20.673 8.909 ( 11.309 -10.230 -18.400) 23.897 9.415 ( 6.988 11.964 0.459) 13.863 9.695 ( -8.599 9.977 -12.033) 17.841 10.003 ( -4.266 1.459 -12.077) 12.891 10.470 ( -3.438 -8.292 -18.687) 20.731 11.129 ( 4.998 1.700 -7.893) 9.496 11.299 ( -17.956 1.244 -7.969) 19.684 11.601 ( 8.326 -9.177 12.703) 17.745 12.274 ( 3.833 -5.935 -1.352) 7.193 12.699 ( -15.314 12.333 -7.365) 20.997 13.009 ( -6.454 2.473 0.820) 6.960 13.322 ( 3.537 -4.398 -9.593) 11.130 13.755 ( -10.461 -4.944 -21.509) 24.424 14.562 ( 13.611 -8.644 17.351) 23.686 14.815 ( 5.018 3.146 13.170) 14.441 15.613 ( -25.684 -2.739 10.447) 27.862 17.781 ( 4.214 -6.150 -32.607) 33.448 19.213 ( -2.768 33.801 29.837) 45.171 19.976 ( -0.032 -1.539 14.684) 14.765 21.845 ( -3.162 -11.711 18.225) 21.893 22.537 ( 1.473 -8.035 2.914) 8.673 24.756 ( 3.224 4.303 -3.931) 6.661 24.873 ( -1.320 4.078 5.334) 6.843 25.116 ( 0.845 -6.642 -2.669) 7.208 25.255 ( -0.138 -4.480 -14.618) 15.289 26.113 ( -7.185 -5.722 20.192) 22.182 26.951 ( -1.320 -0.018 9.181) 9.275 28.083 ( 5.064 -5.224 7.360) 10.349 28.899 ( 7.163 3.584 -10.732) 13.391 32.059 ( 2.070 1.529 14.358) 14.587 34.160 ( 4.917 7.641 -28.480) 29.894 ======================= Grid point 425 (141/216) ======================= q-point: ( 0.55 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.239 ( 19.264 -20.469 20.564) 34.828 6.416 ( 6.077 -19.472 10.713) 23.040 7.652 ( 4.695 11.608 -11.481) 16.988 8.047 ( -5.358 -12.789 45.836) 47.888 8.150 ( 23.418 21.418 14.211) 34.772 8.831 ( -17.004 22.882 14.452) 31.962 9.298 ( 0.717 9.808 -17.862) 20.390 9.544 ( 2.478 -12.483 -18.646) 22.575 9.907 ( -8.767 4.346 -16.925) 19.551 10.631 ( 10.961 -3.777 -22.180) 25.027 11.009 ( -18.960 4.135 -15.146) 24.617 11.179 ( -0.358 0.572 -7.931) 7.960 11.897 ( 8.756 -12.776 7.899) 17.386 12.250 ( -7.296 13.549 -2.887) 15.657 12.510 ( 1.363 -6.290 -3.710) 7.429 13.042 ( 1.287 -7.088 1.740) 7.411 13.407 ( 1.971 -1.956 -6.614) 7.173 13.716 ( -7.057 -0.503 -29.041) 29.890 14.635 ( 3.617 11.271 15.842) 19.776 15.029 ( 17.509 -13.731 15.819) 27.300 15.460 ( -24.367 -10.496 16.319) 31.148 18.002 ( 10.218 -10.522 -24.356) 28.431 18.566 ( -8.739 32.819 27.626) 43.779 19.818 ( -2.140 16.384 2.048) 16.650 22.102 ( -1.005 -18.859 21.807) 28.848 22.711 ( 1.603 -9.184 7.513) 11.973 24.721 ( 3.042 3.387 2.217) 5.064 24.776 ( -2.468 4.007 4.177) 6.293 25.207 ( -0.983 -3.153 -3.448) 4.774 25.378 ( 2.184 -7.964 -19.163) 20.867 26.201 ( -3.990 -10.876 18.708) 22.005 26.936 ( -0.963 0.432 9.635) 9.693 28.241 ( 2.819 -7.537 5.346) 9.661 28.874 ( 3.520 4.526 -8.152) 9.966 32.029 ( 0.397 3.387 13.849) 14.262 34.008 ( 2.430 13.866 -25.889) 29.469 ======================= Grid point 426 (142/216) ======================= q-point: ( 0.64 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.579 ( -0.000 -10.642 -6.561) 12.502 6.924 ( -0.000 -29.284 34.238) 45.053 7.301 ( 0.000 23.895 -1.048) 23.918 8.063 ( 0.000 17.396 9.227) 19.692 8.229 ( 0.000 27.315 28.933) 39.789 8.339 ( -0.000 -23.708 40.438) 46.875 9.038 ( 0.000 10.591 -21.786) 24.224 9.669 ( 0.000 11.148 -20.352) 23.205 10.001 ( -0.000 -21.824 -20.429) 29.893 10.668 ( 0.000 8.526 -15.095) 17.337 10.861 ( -0.000 -4.979 -24.135) 24.644 11.219 ( -0.000 -5.153 -9.177) 10.525 11.981 ( 0.000 8.864 -0.171) 8.866 12.163 ( -0.000 -8.711 2.127) 8.967 12.615 ( -0.000 -4.587 -4.517) 6.437 13.168 ( -0.000 -2.102 3.563) 4.136 13.417 ( 0.000 1.710 -2.166) 2.760 13.647 ( 0.000 3.830 -35.075) 35.284 14.445 ( 0.000 10.230 15.235) 18.352 15.187 ( 0.000 3.601 0.183) 3.606 15.751 ( -0.000 -33.584 34.358) 48.045 17.891 ( 0.000 33.345 31.589) 45.932 18.382 ( -0.000 -20.315 -21.815) 29.809 19.461 ( 0.000 21.519 -6.659) 22.526 22.415 ( -0.000 -16.870 20.952) 26.900 22.852 ( -0.000 -5.794 11.034) 12.463 24.680 ( 0.000 3.449 11.809) 12.302 24.716 ( 0.000 1.270 -1.923) 2.305 25.220 ( 0.000 0.671 -4.773) 4.820 25.531 ( -0.000 -7.835 -19.446) 20.965 26.400 ( -0.000 -14.082 15.122) 20.664 26.919 ( 0.000 0.967 9.972) 10.018 28.342 ( -0.000 -0.899 4.664) 4.750 28.868 ( -0.000 -3.542 -5.467) 6.514 31.958 ( 0.000 4.679 12.257) 13.120 33.741 ( 0.000 18.363 -23.193) 29.582 ======================= Grid point 436 (143/216) ======================= q-point: ( 0.45 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.631 ( 8.640 -0.000 40.481) 41.393 6.219 ( 15.969 -0.000 -3.389) 16.324 7.814 ( 12.164 -0.000 -24.655) 27.492 7.826 ( -6.117 0.000 59.119) 59.435 8.753 ( 14.286 -0.000 9.060) 16.917 8.870 ( 8.956 -0.000 -24.025) 25.639 9.451 ( -32.468 0.000 17.634) 36.948 9.646 ( 3.122 -0.000 -18.311) 18.575 10.261 ( -4.462 0.000 -25.386) 25.775 10.306 ( 24.033 -0.000 -17.060) 29.473 11.120 ( -18.586 0.000 -8.300) 20.355 11.196 ( 3.976 -0.000 -8.655) 9.525 11.604 ( 7.307 -0.000 14.306) 16.064 12.226 ( 1.519 -0.000 -2.033) 2.538 12.678 ( -12.272 0.000 -2.414) 12.507 12.951 ( -6.842 0.000 0.739) 6.882 13.330 ( 5.273 -0.000 -10.033) 11.334 13.613 ( -6.747 0.000 -21.912) 22.927 14.619 ( 14.408 -0.000 21.696) 26.044 14.900 ( 3.564 -0.000 13.912) 14.361 15.354 ( -20.600 0.000 7.164) 21.810 17.738 ( 0.987 -0.000 -36.946) 36.959 19.675 ( 0.304 -0.000 26.969) 26.971 19.806 ( -0.452 0.000 24.302) 24.306 21.721 ( -1.597 0.000 16.511) 16.588 22.464 ( 0.476 -0.000 0.422) 0.636 24.822 ( 1.093 -0.000 -9.557) 9.619 24.936 ( 1.379 -0.000 9.495) 9.594 25.031 ( -0.981 0.000 1.053) 1.439 25.204 ( -0.156 0.000 -17.366) 17.366 26.012 ( -3.543 0.000 20.843) 21.142 26.942 ( -0.651 0.000 9.182) 9.205 28.074 ( 2.627 -0.000 7.691) 8.127 28.989 ( 4.020 -0.000 -12.450) 13.082 32.091 ( 1.250 -0.000 15.609) 15.659 34.259 ( 2.131 -0.000 -28.314) 28.394 ======================= Grid point 437 (144/216) ======================= q-point: ( 0.55 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.870 ( -0.000 -21.642 40.543) 45.958 6.331 ( -0.000 -3.523 -5.757) 6.750 7.829 ( 0.000 4.917 -26.797) 27.244 7.845 ( -0.000 -6.211 59.304) 59.629 8.699 ( 0.000 19.334 10.015) 21.774 8.909 ( 0.000 5.506 -2.262) 5.953 9.256 ( -0.000 -8.403 3.856) 9.245 9.594 ( 0.000 10.025 -20.265) 22.609 10.047 ( 0.000 12.820 -21.778) 25.271 10.608 ( -0.000 -9.740 -23.385) 25.332 10.962 ( 0.000 4.751 -10.847) 11.842 11.203 ( 0.000 1.349 -8.346) 8.455 11.723 ( -0.000 -9.697 12.390) 15.734 12.349 ( -0.000 -10.882 -2.117) 11.086 12.475 ( 0.000 13.878 -1.319) 13.941 12.946 ( -0.000 -3.415 0.404) 3.439 13.378 ( -0.000 -2.110 -8.883) 9.130 13.631 ( -0.000 -4.539 -24.259) 24.680 14.840 ( -0.000 -15.419 27.366) 31.411 14.840 ( 0.000 8.424 14.610) 16.865 15.246 ( -0.000 -0.528 3.727) 3.764 17.827 ( -0.000 -9.629 -35.073) 36.370 19.180 ( 0.000 37.087 30.878) 48.259 19.973 ( -0.000 -0.406 13.985) 13.991 21.814 ( -0.000 -12.054 19.419) 22.856 22.553 ( -0.000 -8.819 3.025) 9.323 24.798 ( 0.000 2.842 -8.413) 8.880 24.849 ( 0.000 6.482 10.685) 12.498 25.120 ( -0.000 -6.338 -0.142) 6.340 25.262 ( -0.000 -6.086 -19.118) 20.063 26.040 ( -0.000 -5.375 20.740) 21.426 26.937 ( 0.000 0.198 9.344) 9.346 28.136 ( -0.000 -5.381 6.872) 8.728 28.973 ( 0.000 3.935 -11.433) 12.091 32.080 ( 0.000 2.000 15.419) 15.549 34.205 ( 0.000 7.442 -27.395) 28.388 ======================= Grid point 500 (145/216) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.677 ( 0.000 0.000 50.051) 50.051 4.929 ( 0.000 0.000 46.781) 46.781 6.276 ( 0.000 0.000 -7.569) 7.569 6.539 ( 0.000 0.000 -37.776) 37.776 6.658 ( 0.000 0.000 -24.452) 24.452 6.750 ( 0.000 0.000 -24.803) 24.803 9.435 ( 0.000 0.000 -20.514) 20.514 9.480 ( 0.000 0.000 -23.215) 23.215 9.569 ( 0.000 0.000 71.255) 71.255 11.489 ( 0.000 0.000 3.677) 3.677 11.559 ( 0.000 0.000 -5.461) 5.461 11.606 ( 0.000 0.000 1.997) 1.997 11.714 ( 0.000 0.000 -6.486) 6.486 12.115 ( 0.000 0.000 -24.416) 24.416 13.260 ( 0.000 0.000 2.405) 2.405 13.485 ( 0.000 0.000 -2.371) 2.371 14.479 ( 0.000 0.000 22.704) 22.704 14.505 ( 0.000 0.000 3.239) 3.239 14.583 ( 0.000 0.000 -1.297) 1.297 15.307 ( 0.000 0.000 -16.317) 16.317 16.420 ( 0.000 0.000 7.293) 7.293 17.019 ( 0.000 0.000 -24.961) 24.961 19.852 ( 0.000 0.000 17.533) 17.533 19.873 ( 0.000 0.000 16.516) 16.516 22.521 ( 0.000 0.000 6.091) 6.091 22.683 ( 0.000 0.000 -2.503) 2.503 24.422 ( 0.000 0.000 -0.755) 0.755 24.485 ( 0.000 0.000 -3.661) 3.661 25.323 ( 0.000 0.000 3.045) 3.045 25.451 ( 0.000 0.000 -2.887) 2.887 26.699 ( 0.000 0.000 -1.393) 1.393 26.767 ( 0.000 0.000 -4.474) 4.474 28.346 ( 0.000 0.000 28.156) 28.156 29.455 ( 0.000 0.000 -23.369) 23.369 31.650 ( 0.000 0.000 -0.730) 0.730 31.671 ( 0.000 0.000 -1.611) 1.611 ======================= Grid point 501 (146/216) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.776 ( -3.189 -12.603 44.452) 46.314 5.130 ( 6.879 -17.719 42.607) 46.654 6.303 ( -24.952 -2.883 -31.167) 40.029 6.514 ( 12.984 -16.928 -6.969) 22.444 6.729 ( 15.122 -4.312 -20.751) 26.036 7.246 ( 34.365 -18.870 -27.200) 47.717 9.279 ( -0.613 9.111 -12.598) 15.559 9.542 ( -2.455 0.335 61.093) 61.143 9.666 ( 1.360 -11.319 -21.464) 24.304 11.389 ( -5.397 10.261 4.866) 12.574 11.459 ( -1.552 4.725 -0.566) 5.005 11.663 ( -0.893 -1.525 -5.121) 5.418 11.691 ( 1.169 2.822 -5.986) 6.720 12.048 ( 3.383 7.580 -19.534) 21.224 13.061 ( -3.787 16.095 3.325) 16.866 13.460 ( -2.817 4.658 -9.010) 10.527 14.339 ( -8.431 7.566 17.941) 21.218 14.491 ( -1.381 0.492 9.294) 9.409 14.730 ( -2.038 -12.005 -3.824) 12.763 15.166 ( -5.594 10.655 -14.987) 19.221 16.462 ( 2.162 -2.678 8.782) 9.432 17.103 ( -0.722 -9.185 -23.888) 25.603 19.712 ( 2.169 12.075 21.647) 24.882 19.951 ( 3.043 -1.343 11.048) 11.538 22.537 ( -2.627 -3.621 6.188) 7.635 22.696 ( -2.841 -3.275 -2.136) 4.833 24.438 ( 1.259 -1.140 -0.223) 1.713 24.526 ( 1.119 -3.979 -4.209) 5.900 25.274 ( -1.332 4.320 4.603) 6.451 25.454 ( -1.782 -1.003 -4.145) 4.622 26.711 ( 3.611 -0.189 0.497) 3.649 26.839 ( 3.123 -5.283 -4.896) 7.850 28.333 ( -3.618 -0.745 26.916) 27.168 29.346 ( -20.189 -0.380 -19.558) 28.112 31.706 ( 7.549 -0.999 -0.616) 7.640 31.787 ( 19.138 -1.862 -4.900) 19.842 ======================= Grid point 502 (147/216) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.010 ( -5.920 -18.797 32.542) 38.044 5.598 ( 12.536 -23.924 36.725) 45.587 6.200 ( -18.246 -9.957 -28.358) 35.160 6.905 ( 8.762 -13.381 -22.984) 28.002 7.232 ( 32.262 -25.249 6.375) 41.461 7.961 ( 35.954 -21.719 -22.743) 47.766 9.131 ( -0.656 7.280 -3.292) 8.017 9.538 ( -1.212 -3.751 55.690) 55.829 9.882 ( 0.722 -12.345 -29.274) 31.778 11.084 ( -5.514 18.450 5.656) 20.070 11.314 ( -7.001 6.902 -2.738) 10.205 11.551 ( -0.460 9.524 -6.093) 11.316 11.726 ( 3.579 -1.286 -4.714) 6.057 12.006 ( 9.093 3.501 -9.029) 13.284 12.726 ( -8.447 14.629 2.405) 17.063 13.251 ( -9.392 11.694 -15.148) 21.317 14.086 ( -5.492 13.359 12.201) 18.907 14.390 ( -11.868 5.286 4.812) 13.854 14.896 ( -3.601 -8.591 -7.175) 11.758 14.942 ( 1.884 10.042 -7.190) 12.493 16.526 ( -2.839 -4.555 14.110) 15.096 17.269 ( -4.929 -11.782 -21.891) 25.344 19.491 ( 2.657 15.981 24.684) 29.525 19.958 ( 4.121 4.791 3.735) 7.341 22.603 ( -2.247 -6.831 6.504) 9.696 22.745 ( -3.687 -6.261 -0.598) 7.290 24.485 ( 1.633 -2.585 1.123) 3.257 24.633 ( 2.566 -5.976 -5.623) 8.597 25.170 ( -1.901 5.499 7.149) 9.218 25.443 ( -3.268 -0.531 -6.341) 7.153 26.782 ( 5.344 -2.646 3.833) 7.089 26.979 ( 4.812 -5.827 -4.508) 8.799 28.313 ( -4.666 -2.138 23.565) 24.118 29.129 ( -25.269 -1.743 -13.474) 28.690 31.826 ( 8.826 -3.175 0.561) 9.397 32.038 ( 26.338 0.307 -10.257) 28.266 ======================= Grid point 503 (148/216) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.287 ( -4.417 -19.338 22.122) 29.712 6.136 ( 13.741 -19.451 25.481) 34.877 6.273 ( -11.243 -16.923 -17.932) 27.099 7.195 ( 8.510 -9.296 -12.547) 17.784 7.991 ( 26.497 -24.297 7.673) 36.760 8.616 ( 28.531 -15.934 -10.800) 34.417 9.018 ( -0.054 5.397 4.202) 6.841 9.710 ( 4.878 -14.877 35.105) 38.438 10.094 ( 0.118 -11.576 -31.448) 33.511 10.703 ( -3.360 18.050 -0.315) 18.363 11.122 ( -6.733 6.517 1.289) 9.459 11.363 ( 0.466 11.897 -4.705) 12.802 11.793 ( 6.277 0.630 -1.921) 6.595 12.091 ( 10.890 -0.738 -1.349) 10.998 12.433 ( -11.104 6.225 -0.162) 12.731 12.935 ( -12.627 9.933 -17.684) 23.892 13.792 ( -2.721 15.652 4.661) 16.556 14.105 ( -11.773 12.005 -3.750) 17.228 14.804 ( 3.248 8.551 1.122) 9.215 14.981 ( -3.028 -2.985 -6.819) 8.036 16.542 ( -9.528 -3.953 20.228) 22.706 17.368 ( -10.526 -7.908 -19.202) 23.282 19.250 ( 3.698 14.434 24.646) 28.800 19.872 ( 2.812 8.664 -3.064) 9.610 22.716 ( -0.480 -7.354 7.114) 10.243 22.835 ( -2.531 -7.518 1.685) 8.110 24.556 ( 1.801 -3.630 2.904) 4.985 24.771 ( 3.548 -6.224 -6.839) 9.904 25.061 ( -1.458 4.789 8.259) 9.658 25.408 ( -4.342 0.256 -8.372) 9.434 26.895 ( 5.163 -4.193 6.557) 9.339 27.111 ( 4.125 -3.848 -2.460) 6.155 28.327 ( -2.419 -3.745 18.612) 19.139 28.931 ( -21.793 -2.366 -8.712) 23.588 31.974 ( 7.925 -3.902 1.286) 8.927 32.261 ( 22.688 2.360 -12.598) 26.058 ======================= Grid point 504 (149/216) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.588 ( 0.276 -17.815 14.828) 23.180 6.333 ( -7.087 -7.994 -18.180) 21.087 6.661 ( 9.891 -17.873 26.228) 33.244 7.348 ( 4.297 -0.655 -0.360) 4.361 8.488 ( 12.477 -11.405 10.978) 20.156 8.923 ( 0.073 3.252 15.836) 16.166 9.109 ( 17.998 -12.996 -7.646) 23.479 10.038 ( 8.012 -8.454 10.235) 15.505 10.278 ( 0.979 -10.781 -29.360) 31.292 10.500 ( 1.072 1.869 -9.662) 9.899 10.980 ( -1.528 5.748 0.939) 6.021 11.165 ( -0.496 10.976 -3.525) 11.539 11.724 ( -1.767 8.548 4.406) 9.778 12.231 ( -1.591 -1.776 -8.522) 8.849 12.333 ( 0.422 -5.535 3.507) 6.566 12.788 ( -0.528 -3.553 -13.792) 14.252 13.522 ( 0.466 13.346 2.832) 13.652 13.795 ( -6.723 13.043 -6.504) 16.050 14.681 ( -0.558 7.134 5.172) 8.829 14.942 ( -3.549 3.532 -7.340) 8.885 16.477 ( -11.410 -1.309 24.020) 26.624 17.332 ( -11.888 -1.605 -15.773) 19.817 19.097 ( 4.386 7.784 21.095) 22.909 19.744 ( 1.124 7.685 -6.991) 10.450 22.829 ( 0.573 -5.275 7.791) 9.426 22.936 ( -1.184 -5.855 3.442) 6.894 24.641 ( 1.932 -4.030 4.844) 6.591 24.878 ( 0.590 -1.165 0.643) 1.456 25.011 ( 2.800 -0.568 -0.521) 2.904 25.347 ( -5.146 1.444 -9.765) 11.132 27.017 ( 3.964 -4.415 7.648) 9.680 27.182 ( 1.780 -0.862 0.992) 2.212 28.394 ( 1.771 -4.183 12.656) 13.446 28.779 ( -16.203 -1.501 -4.497) 16.882 32.103 ( 5.111 -3.364 1.231) 6.241 32.400 ( 14.879 2.870 -12.620) 19.720 ======================= Grid point 505 (150/216) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.868 ( 2.751 -10.508 8.121) 13.562 6.326 ( -5.179 0.670 -8.279) 9.788 6.975 ( 5.405 -8.924 18.801) 21.501 7.322 ( -0.363 4.046 6.853) 7.967 8.690 ( 3.444 -4.336 15.150) 16.130 8.858 ( -0.196 3.259 12.801) 13.211 9.441 ( 7.292 -8.475 3.348) 11.670 10.086 ( 0.018 1.956 -6.787) 7.064 10.493 ( 5.997 -4.622 -16.251) 17.929 10.597 ( -0.035 -9.456 -17.488) 19.881 10.865 ( -0.346 5.155 -9.424) 10.747 10.967 ( -0.817 11.042 -5.976) 12.582 11.659 ( -1.957 -4.606 2.338) 5.524 12.027 ( -7.071 9.011 -11.415) 16.170 12.645 ( 7.310 -14.864 7.252) 18.082 12.892 ( 1.364 -0.437 -3.912) 4.166 13.389 ( 4.254 3.484 1.624) 5.733 13.537 ( -4.908 9.054 -4.251) 11.142 14.576 ( -1.479 2.812 4.931) 5.866 14.829 ( -2.529 3.860 -6.841) 8.253 16.400 ( -4.972 -0.147 24.630) 25.127 17.241 ( -5.367 0.650 -13.483) 14.526 19.052 ( 2.037 1.980 17.606) 17.834 19.654 ( 0.197 2.980 -8.101) 8.634 22.897 ( 0.378 -1.882 8.182) 8.404 23.000 ( -0.327 -2.156 4.272) 4.796 24.725 ( 1.629 -3.231 6.520) 7.457 24.837 ( -1.533 2.686 7.991) 8.569 25.113 ( 5.182 -3.769 -9.818) 11.724 25.259 ( -5.087 2.563 -10.042) 11.545 27.118 ( 2.441 -3.486 6.885) 8.094 27.179 ( -0.606 1.696 4.487) 4.835 28.489 ( 4.360 -2.424 7.164) 8.730 28.662 ( -9.006 0.122 -0.346) 9.014 32.180 ( 1.680 -1.395 0.872) 2.352 32.462 ( 5.205 1.322 -12.034) 13.178 ======================= Grid point 512 (151/216) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.659 ( 1.165 -0.000 35.773) 35.792 5.063 ( 12.339 -0.000 44.179) 45.870 6.030 ( -20.090 0.000 -30.887) 36.846 6.553 ( 21.661 -0.000 -12.603) 25.061 6.894 ( 26.170 -0.000 -10.266) 28.111 7.484 ( 43.511 -0.000 -27.150) 51.286 9.393 ( -3.666 0.000 -3.065) 4.779 9.475 ( -0.592 0.000 -23.133) 23.140 9.578 ( 0.681 -0.000 53.605) 53.609 11.380 ( -10.678 0.000 5.031) 11.804 11.546 ( -1.890 0.000 -7.315) 7.555 11.565 ( -2.333 0.000 3.760) 4.425 11.744 ( 1.232 -0.000 -7.894) 7.990 12.160 ( 5.313 -0.000 -22.327) 22.951 13.198 ( -6.476 0.000 4.386) 7.821 13.447 ( -3.964 0.000 -2.981) 4.959 14.292 ( -14.906 0.000 10.096) 18.003 14.389 ( -11.110 0.000 4.541) 12.002 14.657 ( 3.830 -0.000 5.720) 6.883 15.126 ( -16.480 0.000 -12.901) 20.929 16.496 ( 5.668 -0.000 4.977) 7.543 17.023 ( 0.608 -0.000 -23.588) 23.596 19.917 ( 6.008 -0.000 16.766) 17.810 19.919 ( 4.168 -0.000 16.573) 17.089 22.457 ( -6.081 0.000 6.412) 8.837 22.626 ( -5.132 0.000 -2.361) 5.650 24.453 ( 3.041 -0.000 -1.590) 3.432 24.501 ( 1.546 -0.000 -3.848) 4.147 25.295 ( -2.646 0.000 2.816) 3.864 25.417 ( -3.208 0.000 -2.857) 4.296 26.775 ( 7.096 -0.000 -0.725) 7.133 26.820 ( 4.403 -0.000 -2.437) 5.032 28.273 ( -6.567 0.000 24.246) 25.119 29.084 ( -28.918 0.000 -11.992) 31.306 31.768 ( 9.213 -0.000 2.276) 9.490 32.062 ( 33.571 -0.000 -13.211) 36.077 ======================= Grid point 513 (152/216) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.775 ( 5.974 -8.544 26.025) 28.035 5.354 ( 12.875 -17.715 36.235) 42.339 5.942 ( -5.145 -4.169 -24.315) 25.200 6.847 ( 19.598 -8.100 -21.464) 30.173 7.302 ( 39.211 -10.318 4.638) 40.811 8.024 ( 39.288 -12.999 -24.271) 47.975 9.255 ( -1.662 7.991 -8.523) 11.800 9.481 ( -3.093 -0.760 40.858) 40.982 9.692 ( 0.926 -10.283 -6.383) 12.138 11.194 ( -14.071 6.755 5.989) 16.718 11.406 ( -2.609 8.152 -2.451) 8.903 11.643 ( -1.150 -3.075 -2.276) 3.995 11.710 ( 0.153 2.162 -6.192) 6.561 12.184 ( 10.294 4.782 -17.208) 20.614 12.917 ( -10.757 17.142 6.179) 21.160 13.357 ( -7.458 8.152 -9.332) 14.462 14.059 ( -18.527 3.070 8.448) 20.593 14.357 ( -13.333 -1.786 0.733) 13.472 14.700 ( -0.438 -5.109 3.353) 6.127 14.971 ( -12.281 -1.034 -7.411) 14.381 16.522 ( 2.701 1.943 6.886) 7.648 17.088 ( -0.373 -6.080 -22.125) 22.948 19.774 ( 3.273 14.172 21.465) 25.929 20.048 ( 5.903 -0.310 9.311) 11.029 22.446 ( -6.011 -6.265 6.929) 11.109 22.609 ( -4.936 -4.271 -1.384) 6.672 24.481 ( 2.881 -0.236 -1.078) 3.085 24.569 ( 3.191 -4.617 -5.207) 7.656 25.228 ( -3.110 3.842 4.104) 6.425 25.392 ( -4.225 -0.972 -3.935) 5.855 26.821 ( 5.832 0.564 2.735) 6.466 26.935 ( 5.648 -5.307 -2.083) 8.025 28.220 ( -6.593 -1.844 20.321) 21.443 28.830 ( -25.212 -2.321 -7.175) 26.316 31.883 ( 11.061 -1.182 5.447) 12.386 32.379 ( 33.197 2.648 -19.253) 38.468 ======================= Grid point 514 (153/216) ======================= q-point: ( 0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.043 ( 10.395 -12.522 18.987) 25.007 5.840 ( 4.560 -24.522 10.423) 27.032 6.076 ( 15.267 -7.338 0.002) 16.939 7.179 ( 18.871 -7.617 -19.243) 28.007 7.931 ( 33.734 -16.857 8.948) 38.759 8.612 ( 26.176 -14.750 -16.168) 34.119 9.118 ( -0.409 6.434 -5.016) 8.168 9.518 ( -0.502 -7.971 41.996) 42.748 9.893 ( 0.057 -11.917 -21.010) 24.154 10.903 ( -11.437 11.265 1.944) 16.171 11.224 ( -1.073 10.188 3.636) 10.871 11.555 ( -0.907 8.518 -4.755) 9.797 11.777 ( 1.702 -5.405 -0.166) 5.669 12.238 ( 13.477 2.116 -8.322) 15.980 12.518 ( -11.156 15.006 1.976) 18.803 13.028 ( -12.107 15.527 -14.621) 24.524 13.830 ( -18.463 3.019 3.536) 19.040 14.143 ( -15.439 7.379 -7.446) 18.661 14.831 ( -1.807 -8.334 1.483) 8.656 14.903 ( -4.763 0.177 0.817) 4.836 16.493 ( -0.600 2.302 13.028) 13.243 17.185 ( -2.517 -6.130 -20.316) 21.369 19.512 ( -1.360 16.322 23.689) 28.800 20.024 ( 1.419 7.248 0.799) 7.429 22.553 ( -2.547 -10.430 7.782) 13.260 22.682 ( -1.674 -7.671 1.331) 7.964 24.527 ( 2.553 -2.011 0.784) 3.343 24.703 ( 4.322 -6.171 -7.330) 10.511 25.124 ( -2.555 4.543 5.981) 7.934 25.361 ( -4.729 -0.482 -5.716) 7.435 26.881 ( 3.029 -2.444 6.733) 7.777 27.074 ( 3.814 -4.789 -1.425) 6.286 28.223 ( -3.398 -4.587 15.675) 16.682 28.674 ( -17.137 -3.587 -5.026) 18.216 32.011 ( 9.811 -1.341 7.299) 12.301 32.602 ( 27.229 6.354 -20.967) 34.949 ======================= Grid point 515 (154/216) ======================= q-point: ( 0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.394 ( 14.863 -13.466 14.194) 24.571 6.163 ( 3.828 -11.467 -19.668) 23.087 6.519 ( 23.006 -15.849 29.408) 40.562 7.431 ( 15.153 -0.582 -9.062) 17.665 8.425 ( 15.060 -10.958 13.036) 22.734 8.946 ( 3.332 -3.511 10.554) 11.611 9.072 ( 5.492 -3.086 -12.910) 14.366 9.777 ( 0.864 -19.344 15.845) 25.020 10.088 ( -1.583 -11.307 -23.809) 26.405 10.642 ( -1.253 9.954 -6.202) 11.795 11.056 ( -2.189 7.480 10.510) 13.085 11.359 ( -2.724 11.517 -3.538) 12.353 11.864 ( 0.706 2.310 0.765) 2.533 12.242 ( -2.169 5.051 0.347) 5.508 12.311 ( 4.152 3.008 -3.873) 6.426 12.767 ( 0.218 1.650 -16.947) 17.028 13.597 ( -14.694 4.301 0.634) 15.324 13.861 ( -14.588 7.494 -11.050) 19.775 14.782 ( -3.643 6.330 5.675) 9.250 14.944 ( -0.583 -2.459 -1.197) 2.796 16.443 ( -0.258 2.471 19.573) 19.730 17.237 ( -1.551 -2.331 -17.494) 17.717 19.232 ( -6.156 10.918 22.088) 25.396 19.855 ( -5.153 9.016 -5.486) 11.745 22.722 ( 0.939 -9.212 8.361) 12.476 22.819 ( 1.492 -7.637 4.045) 8.770 24.599 ( 2.484 -3.320 3.067) 5.158 24.846 ( 3.512 -4.680 -5.774) 8.220 25.042 ( -0.190 2.279 3.479) 4.164 25.313 ( -4.985 0.510 -7.178) 8.754 26.961 ( 0.300 -4.769 8.634) 9.868 27.159 ( 0.211 -2.597 0.752) 2.712 28.311 ( 0.836 -6.733 10.419) 12.433 28.602 ( -9.329 -2.970 -2.838) 10.193 32.111 ( 6.168 -0.936 7.502) 9.757 32.697 ( 19.717 9.275 -19.787) 29.433 ======================= Grid point 516 (155/216) ======================= q-point: ( 0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.777 ( 17.691 -11.369 9.795) 23.198 6.352 ( 10.232 -1.948 -12.493) 16.265 6.930 ( 16.767 -7.826 22.258) 28.945 7.477 ( 8.979 8.350 2.246) 12.465 8.634 ( 2.269 -5.533 19.881) 20.761 8.909 ( -2.223 3.946 6.503) 7.925 9.283 ( 0.928 -13.330 1.679) 13.467 10.016 ( -6.100 -7.588 -4.378) 10.675 10.283 ( -3.916 -15.500 -17.021) 23.351 10.552 ( 2.598 2.355 -14.301) 14.725 10.886 ( -11.794 4.744 -1.543) 12.805 11.146 ( -3.952 10.472 -7.530) 13.490 11.692 ( 1.883 7.921 3.579) 8.894 12.148 ( -0.603 7.461 -12.793) 14.822 12.471 ( 8.901 -13.556 7.189) 17.740 12.895 ( 8.652 -3.696 -6.856) 11.641 13.418 ( -9.077 2.436 0.305) 9.403 13.601 ( -12.597 7.383 -9.113) 17.211 14.623 ( -3.432 6.438 8.366) 11.100 14.919 ( 1.163 4.842 -4.795) 6.913 16.433 ( 6.752 1.530 23.511) 24.509 17.257 ( 4.862 0.855 -13.761) 14.619 19.033 ( -10.805 2.600 18.151) 21.283 19.655 ( -10.221 4.316 -8.476) 13.962 22.863 ( 2.507 -4.712 8.496) 10.034 22.952 ( 2.947 -4.821 5.276) 7.731 24.685 ( 2.462 -3.692 5.413) 6.999 24.868 ( -1.113 2.347 6.249) 6.767 25.096 ( 5.020 -4.220 -9.945) 11.913 25.245 ( -4.905 1.621 -7.987) 9.512 27.045 ( -1.631 -5.591 8.130) 10.001 27.171 ( -2.602 -0.387 3.521) 4.396 28.436 ( -0.140 -5.421 6.538) 8.494 28.599 ( 0.952 -2.697 -0.663) 2.936 32.159 ( 1.130 -0.319 6.420) 6.527 32.679 ( 12.174 10.859 -17.384) 23.840 ======================= Grid point 517 (156/216) ======================= q-point: ( 0.55 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.046 ( 14.260 2.384 7.206) 16.154 6.460 ( 17.897 2.632 -5.390) 18.876 7.089 ( 5.957 4.174 16.420) 17.959 7.390 ( 7.669 8.045 8.253) 13.844 8.696 ( -3.869 -1.007 21.153) 21.527 8.818 ( -2.621 1.210 8.225) 8.717 9.414 ( -9.753 -1.741 2.376) 10.188 9.993 ( -10.976 -1.765 -1.470) 11.213 10.387 ( -9.995 -6.314 -7.881) 14.208 10.619 ( -8.880 -6.222 -22.970) 25.401 10.745 ( -1.317 -0.831 -12.245) 12.343 10.920 ( -4.654 4.703 -17.656) 18.855 11.765 ( 11.089 -2.674 2.285) 11.634 12.065 ( 9.455 4.137 -7.558) 12.792 12.743 ( 1.243 -6.484 6.005) 8.925 12.898 ( -0.961 7.114 0.091) 7.179 13.300 ( -11.106 3.701 0.322) 11.711 13.416 ( -6.783 -2.660 -7.279) 10.299 14.549 ( -0.037 -0.072 7.645) 7.645 14.867 ( 4.868 2.632 -6.924) 8.864 16.533 ( 17.547 1.136 24.700) 30.319 17.341 ( 14.743 0.120 -10.753) 18.248 18.913 ( -15.383 -3.165 15.947) 22.382 19.532 ( -12.588 -3.457 -9.602) 16.205 22.928 ( 2.517 0.028 8.475) 8.841 23.030 ( 3.115 -0.670 4.872) 5.821 24.754 ( 0.933 -0.136 6.936) 7.000 24.817 ( -0.152 0.225 7.961) 7.966 25.126 ( -4.337 3.148 -8.516) 10.062 25.253 ( 4.810 -3.946 -11.999) 13.517 27.111 ( -3.286 -3.872 5.909) 7.791 27.130 ( -3.484 0.738 5.587) 6.626 28.459 ( -3.119 -0.543 8.979) 9.521 28.731 ( 10.846 -4.238 -3.141) 12.060 32.142 ( -4.334 0.445 4.689) 6.401 32.572 ( 5.018 11.212 -14.757) 19.201 ======================= Grid point 518 (157/216) ======================= q-point: (-0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.974 ( 13.200 18.002 13.205) 25.936 6.590 ( 16.971 7.256 -11.406) 21.697 6.910 ( 0.111 16.736 21.257) 27.055 7.380 ( 5.885 3.126 7.251) 9.848 8.548 ( -10.734 8.280 7.535) 15.510 8.856 ( 0.292 -4.276 19.552) 20.017 9.122 ( -24.832 12.772 -5.241) 28.412 9.879 ( -19.759 -4.868 5.351) 21.041 10.400 ( -2.209 2.495 -20.796) 21.061 10.517 ( -5.523 1.701 -19.148) 20.001 10.839 ( -0.115 -9.430 -14.799) 17.549 11.013 ( 3.717 -9.812 -5.400) 11.800 11.784 ( 7.968 9.356 9.489) 15.526 12.266 ( 14.306 -7.549 -9.072) 18.546 12.500 ( -6.577 17.925 7.663) 20.574 12.878 ( 1.124 3.867 -8.917) 9.784 13.196 ( -13.462 -11.818 3.608) 18.273 13.537 ( -4.970 -16.274 -9.276) 19.380 14.592 ( 0.780 -3.380 7.914) 8.641 14.932 ( 5.687 -2.632 -8.916) 10.898 16.705 ( 23.601 4.018 24.925) 34.560 17.524 ( 21.450 0.857 -11.258) 24.240 18.843 ( -17.994 -8.658 18.660) 27.330 19.531 ( -11.615 -10.242 -9.643) 18.243 22.914 ( 1.882 3.885 8.112) 9.189 23.036 ( 2.727 3.317 3.533) 5.560 24.696 ( -1.298 4.116 6.084) 7.460 24.871 ( 1.802 -2.537 7.389) 8.018 25.013 ( -4.507 3.757 -5.534) 8.066 25.362 ( 4.795 -2.676 -12.397) 13.559 27.041 ( -4.461 3.364 6.976) 8.938 27.145 ( -3.432 -2.199 2.174) 4.620 28.427 ( -0.973 1.592 14.569) 14.688 28.924 ( 14.594 -3.325 -7.963) 16.954 32.059 ( -9.231 1.370 2.985) 9.798 32.400 ( -1.355 10.687 -12.309) 16.357 ======================= Grid point 519 (158/216) ======================= q-point: (-0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.769 ( 17.282 22.627 20.830) 35.278 6.395 ( -5.880 21.821 21.683) 31.320 6.651 ( 7.117 15.078 -10.508) 19.708 7.348 ( 8.111 10.103 -3.983) 13.555 8.186 ( -15.580 20.018 0.500) 25.372 8.580 ( -32.506 15.094 -6.453) 36.416 8.936 ( 0.538 -4.376 15.738) 16.344 9.784 ( -12.358 -0.160 21.577) 24.866 10.282 ( 0.658 9.246 -32.539) 33.833 10.492 ( -0.862 -5.596 -14.526) 15.590 11.049 ( 4.770 -10.493 -1.865) 11.676 11.209 ( 4.073 -8.485 -3.890) 10.184 11.691 ( -4.513 2.178 7.594) 9.098 12.139 ( -5.482 13.422 1.701) 14.597 12.486 ( 10.231 -1.256 -2.049) 10.510 12.915 ( 9.804 -5.404 -16.437) 19.887 13.402 ( -10.157 -22.672 6.101) 25.581 13.865 ( 0.726 -24.089 -10.478) 26.279 14.650 ( -2.293 -3.670 8.097) 9.180 15.019 ( 3.235 -1.557 -10.744) 11.328 16.804 ( 17.978 9.381 23.196) 30.810 17.657 ( 18.224 8.568 -16.702) 26.162 18.900 ( -13.515 -17.070 25.279) 33.363 19.641 ( -7.545 -12.901 -7.154) 16.570 22.839 ( 1.199 6.314 7.426) 9.820 22.977 ( 2.320 6.034 1.692) 6.683 24.610 ( -1.169 4.270 4.555) 6.352 24.844 ( -2.108 5.419 -5.605) 8.077 24.994 ( 0.407 -4.010 9.141) 9.990 25.435 ( 3.483 -1.154 -11.185) 11.771 26.927 ( -4.131 4.754 6.887) 9.332 27.119 ( -3.583 1.283 -1.594) 4.126 28.394 ( 1.184 2.128 20.340) 20.485 29.129 ( 16.607 -2.559 -13.407) 21.497 31.919 ( -12.413 2.160 1.933) 12.747 32.187 ( -5.639 9.857 -9.967) 15.110 ======================= Grid point 520 (159/216) ======================= q-point: (-0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.517 ( 15.206 26.949 34.127) 46.066 5.893 ( -10.925 22.879 29.517) 38.911 6.502 ( 5.345 9.097 -17.546) 20.474 7.162 ( 7.472 20.001 -24.827) 32.746 7.554 ( -13.185 34.428 0.550) 36.871 8.003 ( -27.298 17.747 -11.751) 34.615 9.024 ( 0.286 -5.610 6.972) 8.954 9.634 ( -2.185 6.902 44.176) 44.765 10.094 ( 0.032 12.447 -35.967) 38.060 10.744 ( 0.768 -21.293 -3.185) 21.543 11.259 ( 4.613 -7.891 0.467) 9.153 11.410 ( 5.365 -9.584 -4.699) 11.946 11.638 ( -8.156 -3.416 -3.166) 9.392 11.931 ( -4.488 4.351 -2.531) 6.744 12.617 ( 5.779 -5.967 0.871) 8.352 13.158 ( 8.045 -9.455 -19.552) 23.160 13.735 ( -4.968 -24.449 14.753) 28.984 14.341 ( 10.704 -22.396 -8.697) 26.302 14.665 ( -8.685 -4.934 5.168) 11.246 15.034 ( 1.630 2.914 -11.531) 12.005 16.733 ( 6.841 12.278 19.499) 24.037 17.569 ( 7.093 15.198 -20.818) 26.734 19.148 ( -4.329 -20.333 27.586) 34.542 19.795 ( -3.190 -10.267 -1.672) 10.880 22.733 ( 0.743 6.861 6.737) 9.645 22.885 ( 1.730 6.724 -0.264) 6.948 24.530 ( -0.721 3.851 2.941) 4.899 24.720 ( -1.410 6.353 -5.702) 8.652 25.086 ( 0.798 -5.514 9.657) 11.149 25.472 ( 1.835 -0.131 -9.089) 9.274 26.807 ( -2.764 4.820 5.430) 7.769 27.035 ( -2.527 4.626 -4.445) 6.895 28.378 ( 1.834 1.656 24.903) 25.026 29.327 ( 13.806 -2.327 -19.211) 23.772 31.757 ( -11.431 2.338 1.960) 11.831 31.966 ( -5.358 8.854 -7.435) 12.743 ======================= Grid point 521 (160/216) ======================= q-point: (-0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.127 ( 0.000 24.535 45.782) 51.941 5.459 ( 0.000 22.330 32.921) 39.780 6.452 ( 0.000 1.132 -20.087) 20.119 6.858 ( 0.000 17.852 -35.159) 39.432 6.880 ( 0.000 32.190 0.442) 32.193 7.470 ( 0.000 25.370 -21.093) 32.993 9.138 ( -0.000 -7.457 -3.374) 8.185 9.553 ( 0.000 1.586 61.700) 61.720 9.873 ( 0.000 12.855 -34.201) 36.537 11.133 ( -0.000 -20.817 1.969) 20.910 11.397 ( -0.000 -5.294 2.567) 5.884 11.593 ( -0.000 -6.913 -5.576) 8.881 11.657 ( -0.000 -3.398 -8.107) 8.791 11.908 ( -0.000 -4.248 -10.511) 11.338 12.815 ( -0.000 -13.572 2.134) 13.739 13.354 ( -0.000 -8.733 -16.856) 18.984 14.110 ( -0.000 -20.204 20.522) 28.799 14.558 ( 0.000 3.914 10.089) 10.822 14.875 ( -0.000 -23.549 -15.182) 28.019 14.940 ( 0.000 9.240 -9.544) 13.284 16.565 ( 0.000 9.511 14.334) 17.202 17.328 ( 0.000 15.207 -22.656) 27.286 19.455 ( -0.000 -16.775 25.313) 30.367 19.909 ( -0.000 -4.510 4.916) 6.672 22.628 ( 0.000 5.620 6.309) 8.449 22.787 ( 0.000 5.576 -1.612) 5.804 24.468 ( 0.000 2.866 1.353) 3.170 24.607 ( 0.000 5.832 -4.829) 7.571 25.190 ( -0.000 -5.815 7.549) 9.529 25.477 ( 0.000 0.553 -6.565) 6.588 26.722 ( 0.000 3.091 2.980) 4.293 26.925 ( 0.000 6.207 -5.639) 8.386 28.366 ( 0.000 1.086 27.261) 27.283 29.440 ( -0.000 -1.439 -22.989) 23.034 31.654 ( 0.000 1.514 1.867) 2.404 31.801 ( 0.000 6.615 -4.910) 8.237 ======================= Grid point 524 (161/216) ======================= q-point: ( 0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.815 ( 15.449 -0.000 17.964) 23.694 5.299 ( 9.085 -0.000 23.237) 24.949 5.968 ( 16.073 -0.000 -8.139) 18.016 7.013 ( 26.115 -0.000 -23.601) 35.199 7.611 ( 40.728 -0.000 6.910) 41.310 8.292 ( 35.921 -0.000 -22.308) 42.284 9.322 ( -2.568 0.000 10.089) 10.411 9.455 ( -1.552 0.000 -22.857) 22.909 9.584 ( -0.259 0.000 38.480) 38.481 11.093 ( -16.786 0.000 3.472) 17.141 11.486 ( -4.265 0.000 -4.299) 6.056 11.547 ( 0.503 -0.000 6.142) 6.162 11.728 ( -2.827 0.000 -7.764) 8.263 12.334 ( 11.542 -0.000 -20.739) 23.734 12.986 ( -15.342 0.000 10.911) 18.826 13.325 ( -8.574 0.000 -3.485) 9.255 13.954 ( -17.683 0.000 -2.026) 17.799 14.091 ( -19.153 0.000 0.988) 19.179 14.719 ( 2.922 -0.000 3.517) 4.573 14.765 ( -16.831 0.000 -3.388) 17.168 16.558 ( -0.858 0.000 4.655) 4.733 17.045 ( 1.346 -0.000 -21.825) 21.867 20.012 ( 4.598 -0.000 16.633) 17.257 20.054 ( 6.942 -0.000 14.984) 16.514 22.310 ( -8.047 0.000 7.736) 11.163 22.516 ( -5.208 0.000 -2.293) 5.691 24.535 ( 5.022 -0.000 -3.601) 6.180 24.541 ( 2.408 -0.000 -4.176) 4.820 25.229 ( -3.792 0.000 2.341) 4.456 25.335 ( -4.841 0.000 -2.608) 5.498 26.874 ( -0.716 0.000 4.820) 4.873 26.937 ( 8.016 -0.000 0.495) 8.032 28.139 ( -5.633 0.000 16.610) 17.540 28.600 ( -16.141 0.000 -5.103) 16.928 31.994 ( 12.565 -0.000 10.105) 16.125 32.727 ( 30.829 -0.000 -25.382) 39.934 ======================= Grid point 525 (162/216) ======================= q-point: ( 0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.049 ( 21.238 -5.435 13.419) 25.704 5.541 ( 9.553 -16.457 8.494) 20.839 6.218 ( 28.952 -2.425 7.045) 29.895 7.318 ( 27.723 -3.465 -23.427) 36.461 8.063 ( 34.136 -7.205 7.817) 35.753 8.662 ( 22.469 -6.796 -16.713) 28.816 9.229 ( -0.425 6.955 -7.086) 9.938 9.437 ( -0.827 -1.275 28.303) 28.344 9.692 ( -1.237 -10.381 -1.432) 10.552 10.900 ( -13.166 3.972 0.138) 13.753 11.366 ( -2.632 6.294 4.280) 8.053 11.600 ( -4.576 -0.440 -3.255) 5.633 11.696 ( -0.086 -2.545 2.353) 3.467 12.417 ( 9.215 3.392 -16.064) 18.827 12.658 ( -11.642 14.000 8.783) 20.215 13.173 ( -10.984 10.272 -9.015) 17.534 13.663 ( -20.599 4.350 -0.118) 21.054 13.994 ( -21.615 -3.392 -11.955) 24.933 14.672 ( -2.917 -6.551 6.689) 9.806 14.811 ( -1.345 -4.531 2.443) 5.320 16.513 ( -4.813 1.127 7.992) 9.396 17.093 ( 0.692 -3.968 -21.600) 21.972 19.815 ( 0.568 19.016 21.317) 28.572 20.147 ( 3.476 3.186 6.529) 8.054 22.326 ( -5.598 -9.898 9.266) 14.669 22.537 ( -1.965 -6.914 -0.885) 7.243 24.543 ( 3.246 0.564 -1.930) 3.819 24.649 ( 4.810 -5.066 -6.823) 9.765 25.161 ( -3.555 3.106 3.374) 5.802 25.299 ( -4.940 -1.081 -3.457) 6.125 26.851 ( -3.938 -1.188 9.750) 10.583 27.038 ( 4.092 -3.306 0.416) 5.278 28.125 ( -1.983 -3.054 13.112) 13.608 28.510 ( -6.116 -1.731 -5.734) 8.560 32.112 ( 11.437 0.406 13.032) 17.343 32.963 ( 24.883 4.733 -27.242) 37.198 ======================= Grid point 526 (163/216) ======================= q-point: ( 0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.402 ( 24.637 -8.850 11.741) 28.691 5.984 ( 14.260 -18.961 -5.529) 24.360 6.607 ( 33.188 -6.746 20.213) 39.440 7.632 ( 26.052 -0.289 -16.854) 31.030 8.433 ( 15.845 -5.214 10.334) 19.622 8.881 ( 1.183 -5.196 -1.724) 5.601 9.120 ( -0.159 5.139 -10.456) 11.652 9.532 ( 1.663 -9.384 24.568) 26.352 9.865 ( -3.049 -11.587 -17.221) 20.979 10.740 ( -3.097 4.191 -7.920) 9.481 11.178 ( -10.120 11.200 13.809) 20.458 11.463 ( -7.860 6.453 -4.889) 11.284 11.817 ( 3.778 -7.041 8.357) 11.562 12.286 ( -5.292 5.322 -0.041) 7.505 12.518 ( 4.440 10.681 -6.144) 13.097 12.861 ( 0.382 8.704 -15.574) 17.846 13.445 ( -18.652 -0.905 -0.769) 18.690 13.776 ( -19.799 3.040 -17.149) 26.370 14.821 ( -2.031 -2.460 7.164) 7.843 14.843 ( 3.029 -5.358 5.417) 8.199 16.455 ( -4.710 -0.763 14.218) 14.997 17.189 ( 2.909 -5.111 -20.456) 21.285 19.427 ( -6.906 20.798 22.893) 31.692 19.993 ( -4.394 12.974 -2.687) 13.959 22.513 ( -1.217 -14.406 10.971) 18.149 22.695 ( 2.662 -9.888 2.257) 10.486 24.582 ( 2.980 -1.541 0.570) 3.403 24.795 ( 4.836 -5.777 -8.280) 11.195 25.075 ( -2.319 2.854 3.747) 5.250 25.267 ( -4.636 -0.460 -4.910) 6.769 26.852 ( -5.747 -4.640 12.059) 14.142 27.110 ( -0.267 -2.681 0.736) 2.793 28.206 ( 1.952 -6.130 9.599) 11.555 28.517 ( 0.275 -1.833 -5.339) 5.652 32.193 ( 8.260 1.707 13.978) 16.326 33.054 ( 18.263 9.317 -26.006) 33.116 ======================= Grid point 527 (164/216) ======================= q-point: ( 0.45 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.818 ( 26.125 -9.678 10.402) 29.738 6.409 ( 20.056 -9.896 -10.892) 24.876 7.054 ( 30.826 -5.615 23.371) 39.090 7.774 ( 18.550 9.704 -3.154) 21.171 8.552 ( -2.261 -2.602 18.446) 18.765 8.939 ( -2.036 -0.121 3.783) 4.298 9.072 ( -3.671 -6.001 -5.796) 9.115 9.742 ( -4.259 -14.659 9.334) 17.893 10.018 ( -4.420 -10.741 -23.273) 26.010 10.660 ( -4.010 9.533 -10.352) 14.633 10.813 ( -18.280 4.459 3.784) 19.192 11.240 ( -12.353 9.532 -8.563) 17.799 11.868 ( 2.380 7.437 4.358) 8.942 12.234 ( 1.362 2.379 -3.219) 4.228 12.394 ( 5.738 -3.511 1.353) 6.862 12.948 ( 12.126 -2.469 -10.088) 15.966 13.323 ( -10.416 -1.468 -2.317) 10.771 13.542 ( -15.684 2.953 -14.961) 21.876 14.727 ( -1.135 7.653 11.085) 13.518 14.971 ( 3.652 -1.571 -0.071) 3.976 16.482 ( 2.493 -4.729 21.396) 22.053 17.327 ( 10.538 -3.269 -16.496) 19.846 19.019 ( -14.525 13.215 20.004) 28.032 19.672 ( -12.710 12.916 -8.608) 20.062 22.747 ( 1.583 -11.471 11.169) 16.088 22.890 ( 4.943 -7.620 4.758) 10.254 24.652 ( 2.795 -3.053 3.337) 5.317 24.890 ( 0.759 0.137 1.780) 1.940 25.066 ( 2.604 -3.514 -7.424) 8.616 25.220 ( -4.333 0.809 -6.015) 7.457 26.896 ( -6.048 -6.998 11.424) 14.699 27.126 ( -2.929 -1.297 2.080) 3.819 28.346 ( 2.856 -6.024 6.756) 9.492 28.576 ( 4.479 -2.924 -3.775) 6.546 32.211 ( 3.920 3.212 13.348) 14.278 33.011 ( 12.095 12.730 -23.331) 29.201 ======================= Grid point 528 (165/216) ======================= q-point: ( 0.55 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.211 ( 23.955 -5.364 8.230) 25.891 6.702 ( 22.590 0.161 -5.692) 23.297 7.303 ( 20.435 6.990 16.392) 27.113 7.719 ( 15.969 14.940 6.876) 22.923 8.554 ( -10.774 -6.484 26.871) 29.668 8.857 ( -1.148 4.800 1.058) 5.048 9.214 ( -7.434 -10.026 0.963) 12.518 9.822 ( -16.601 -2.133 7.690) 18.419 10.158 ( -7.385 -9.095 -9.155) 14.869 10.377 ( -15.449 -5.548 -18.731) 24.906 10.724 ( -8.723 3.053 -19.532) 21.608 10.944 ( -8.443 5.046 -20.213) 22.479 11.836 ( 10.444 -0.011 7.028) 12.588 12.229 ( 6.755 3.067 -6.880) 10.118 12.572 ( -0.656 -9.225 3.919) 10.045 13.026 ( 2.523 3.149 -7.441) 8.465 13.255 ( -7.381 2.231 -2.902) 8.239 13.375 ( -5.861 4.163 -5.174) 8.857 14.596 ( 0.659 5.399 12.155) 13.317 14.972 ( 3.758 4.104 -4.943) 7.443 16.689 ( 17.416 -7.598 25.884) 32.110 17.510 ( 19.414 -0.667 -7.908) 20.974 18.712 ( -19.999 2.536 13.050) 24.015 19.350 ( -20.139 4.418 -11.795) 23.753 22.915 ( 2.638 -5.385 10.213) 11.843 23.035 ( 4.659 -3.488 5.654) 8.114 24.736 ( 2.565 -3.357 6.069) 7.394 24.844 ( -1.217 3.097 7.257) 7.984 25.136 ( -2.946 2.186 -7.146) 8.033 25.213 ( 3.485 -5.531 -13.280) 14.801 26.965 ( -5.377 -7.373 8.851) 12.713 27.103 ( -3.632 0.116 3.811) 5.265 28.430 ( 1.104 -1.540 8.184) 8.401 28.724 ( 7.957 -6.825 -4.981) 11.606 32.160 ( -0.679 4.527 11.767) 12.626 32.864 ( 6.666 14.815 -20.260) 25.969 ======================= Grid point 529 (166/216) ======================= q-point: (-0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.385 ( 17.604 9.681 9.521) 22.232 6.873 ( 18.026 4.444 -4.424) 19.085 7.257 ( 12.357 16.940 20.014) 28.986 7.608 ( 14.002 12.502 10.829) 21.671 8.528 ( -9.813 0.046 11.655) 15.236 8.808 ( -0.108 -0.577 17.660) 17.669 9.071 ( -23.302 9.537 -8.649) 26.622 9.591 ( -24.735 -1.609 4.638) 25.217 10.268 ( -2.881 -12.796 7.045) 14.889 10.424 ( -7.220 -3.503 -30.364) 31.407 10.673 ( -4.430 -9.835 -27.314) 29.367 10.934 ( 3.599 -2.969 -18.861) 19.429 12.012 ( 12.779 -0.244 6.110) 14.167 12.277 ( 9.057 -3.199 0.710) 9.631 12.679 ( -6.257 -5.466 -0.517) 8.324 12.854 ( -2.856 14.893 5.312) 16.068 13.102 ( -7.827 2.482 -9.020) 12.198 13.270 ( -6.485 0.451 -8.055) 10.351 14.574 ( 1.796 -0.416 10.811) 10.967 14.963 ( 3.920 0.690 -7.563) 8.546 17.025 ( 30.227 -0.782 26.335) 40.098 17.726 ( 18.929 -2.914 3.020) 19.389 18.523 ( -19.650 -2.407 6.008) 20.688 19.174 ( -22.614 -10.124 -13.513) 28.222 22.981 ( 2.421 0.582 9.002) 9.340 23.099 ( 3.131 0.511 4.911) 5.846 24.755 ( -0.451 3.702 7.011) 7.942 24.835 ( 1.526 -3.311 8.339) 9.101 25.043 ( -3.426 4.136 -6.124) 8.146 25.343 ( 3.626 -4.535 -14.624) 15.734 27.028 ( -3.980 -3.726 5.675) 7.869 27.058 ( -3.254 -0.147 4.858) 5.849 28.442 ( 0.589 0.649 13.373) 13.402 28.939 ( 8.750 -7.984 -9.369) 15.103 32.047 ( -4.400 5.493 9.870) 12.122 32.644 ( 2.275 15.625 -17.175) 23.330 ======================= Grid point 530 (167/216) ======================= q-point: (-0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.299 ( 14.673 16.605 14.116) 26.273 6.781 ( 5.040 23.323 16.774) 29.167 6.939 ( -4.062 19.324 5.899) 20.609 7.680 ( 26.331 4.369 7.744) 27.791 8.315 ( -14.343 13.872 -9.431) 22.071 8.534 ( -26.344 14.497 -9.242) 31.458 8.880 ( 0.919 -2.884 24.740) 24.924 9.530 ( -11.167 -11.571 9.595) 18.726 10.377 ( 0.763 -0.275 -20.976) 20.991 10.429 ( -3.944 -1.820 -22.441) 22.858 10.865 ( 1.641 -13.572 -15.576) 20.725 11.079 ( 2.125 -9.356 -7.742) 12.329 11.902 ( 3.176 18.904 15.292) 24.522 12.396 ( -2.293 19.542 4.616) 20.210 12.556 ( 13.780 -6.284 -0.886) 15.171 12.857 ( -11.783 -15.203 5.642) 20.045 13.005 ( 2.172 0.699 -14.195) 14.377 13.390 ( -7.426 -23.495 -14.912) 28.802 14.609 ( 0.606 -1.511 10.404) 10.531 15.011 ( 2.041 -2.049 -9.806) 10.224 17.178 ( 18.553 12.448 24.261) 32.982 17.981 ( 22.177 2.138 -5.454) 22.938 18.417 ( -22.626 -14.457 17.682) 32.149 19.273 ( -10.772 -19.194 -12.319) 25.223 22.950 ( 1.235 4.760 8.002) 9.392 23.083 ( 1.522 3.832 3.036) 5.120 24.677 ( -0.534 4.419 5.904) 7.394 24.905 ( 1.647 -0.296 3.795) 4.147 24.944 ( -2.528 1.533 0.409) 2.985 25.432 ( 1.974 -2.558 -13.705) 14.081 26.972 ( -2.050 3.745 6.462) 7.745 27.081 ( -2.177 -2.404 1.011) 3.397 28.430 ( 0.523 1.239 19.039) 19.087 29.155 ( 7.053 -7.624 -14.670) 17.974 31.897 ( -5.281 5.923 8.136) 11.365 32.386 ( -0.334 15.094 -14.075) 20.641 ======================= Grid point 531 (168/216) ======================= q-point: (-0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.121 ( 0.000 16.152 17.332) 23.692 6.203 ( 0.000 35.695 38.071) 52.187 6.682 ( 0.000 11.321 -8.923) 14.415 7.678 ( 0.000 28.092 -29.272) 40.571 7.906 ( 0.000 7.057 3.931) 8.078 8.121 ( 0.000 20.192 -1.964) 20.288 8.944 ( -0.000 -4.050 17.660) 18.118 9.655 ( -0.000 -4.975 24.456) 24.957 10.293 ( 0.000 9.935 -33.591) 35.029 10.474 ( -0.000 -8.811 -16.526) 18.728 11.110 ( -0.000 -12.151 -3.390) 12.615 11.268 ( -0.000 -10.853 -4.297) 11.673 11.623 ( 0.000 9.896 9.573) 13.769 12.079 ( 0.000 14.698 2.149) 14.855 12.614 ( 0.000 1.366 -1.504) 2.031 13.068 ( -0.000 -6.310 -21.353) 22.266 13.234 ( -0.000 -28.312 14.004) 31.586 13.861 ( -0.000 -32.082 -14.347) 35.143 14.625 ( -0.000 -0.091 10.513) 10.514 15.052 ( -0.000 -1.162 -11.761) 11.818 17.015 ( 0.000 14.846 22.305) 26.794 17.887 ( 0.000 16.026 -20.030) 25.652 18.716 ( -0.000 -26.034 30.553) 40.141 19.544 ( -0.000 -16.527 -7.442) 18.126 22.855 ( 0.000 6.695 7.258) 9.874 23.004 ( 0.000 5.964 0.983) 6.044 24.598 ( 0.000 4.362 4.510) 6.274 24.820 ( 0.000 6.051 -5.878) 8.436 25.001 ( -0.000 -4.788 10.792) 11.807 25.472 ( -0.000 -1.059 -11.710) 11.757 26.882 ( 0.000 5.135 6.465) 8.256 27.078 ( 0.000 1.483 -2.417) 2.836 28.411 ( 0.000 1.349 23.302) 23.341 29.316 ( -0.000 -6.065 -19.119) 20.058 31.767 ( 0.000 5.111 6.194) 8.031 32.137 ( 0.000 12.977 -10.786) 16.874 ======================= Grid point 536 (169/216) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.252 ( 27.627 -0.000 9.142) 29.100 5.513 ( 15.576 -0.000 10.157) 18.595 6.523 ( 35.011 -0.000 9.177) 36.193 7.574 ( 29.066 -0.000 -25.400) 38.600 8.331 ( 29.979 -0.000 7.743) 30.963 8.795 ( 12.757 -0.000 -12.667) 17.977 9.328 ( 3.652 -0.000 3.517) 5.070 9.416 ( -1.735 0.000 -22.981) 23.047 9.563 ( -1.720 0.000 35.687) 35.728 10.815 ( -9.226 0.000 -2.272) 9.502 11.350 ( -11.061 0.000 4.061) 11.783 11.540 ( -4.238 0.000 -3.542) 5.523 11.685 ( 1.487 -0.000 9.148) 9.269 12.449 ( -10.983 0.000 -7.198) 13.131 12.745 ( 3.645 -0.000 -0.237) 3.653 13.099 ( -14.480 0.000 -4.186) 15.073 13.646 ( -13.412 0.000 -12.119) 18.076 13.647 ( -23.920 0.000 -7.703) 25.130 14.570 ( -1.856 0.000 9.857) 10.030 14.798 ( 5.790 -0.000 2.013) 6.130 16.429 ( -12.430 0.000 8.538) 15.080 17.058 ( -0.590 0.000 -23.844) 23.851 20.085 ( 2.657 -0.000 16.410) 16.623 20.163 ( 3.685 -0.000 13.172) 13.678 22.168 ( -5.866 0.000 10.313) 11.864 22.443 ( -2.011 0.000 -2.561) 3.256 24.592 ( 2.645 -0.000 -4.313) 5.059 24.645 ( 5.957 -0.000 -6.086) 8.516 25.155 ( -3.640 0.000 1.848) 4.082 25.236 ( -5.086 0.000 -2.012) 5.469 26.770 ( -8.692 0.000 14.576) 16.971 27.046 ( 2.563 -0.000 0.667) 2.649 28.094 ( 1.440 -0.000 11.118) 11.211 28.484 ( 2.629 -0.000 -8.353) 8.757 32.230 ( 10.823 -0.000 16.870) 20.043 33.228 ( 19.847 -0.000 -29.909) 35.895 ======================= Grid point 537 (170/216) ======================= q-point: ( 0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.562 ( 29.177 -3.573 9.396) 30.860 5.849 ( 21.869 -15.647 7.537) 27.926 6.885 ( 34.890 -1.912 11.622) 36.824 7.876 ( 25.694 -2.961 -23.319) 34.825 8.573 ( 18.340 1.929 9.342) 20.672 8.835 ( -2.772 1.150 -2.170) 3.703 9.243 ( 1.363 8.365 -14.634) 16.911 9.473 ( 3.709 -2.148 16.108) 16.669 9.646 ( -2.221 -9.842 -0.621) 10.109 10.745 ( -3.645 0.553 -7.072) 7.975 11.172 ( -19.882 5.255 10.105) 22.914 11.444 ( -11.097 2.815 -6.406) 13.119 11.764 ( 6.935 -4.845 15.589) 17.736 12.284 ( -9.139 1.716 0.157) 9.301 12.721 ( 1.178 10.012 -8.340) 13.084 12.978 ( -2.780 1.409 -12.141) 12.535 13.285 ( -16.242 5.837 -2.643) 17.461 13.599 ( -17.080 -2.200 -16.893) 24.124 14.683 ( 5.851 -9.390 12.219) 16.484 14.874 ( 6.537 -0.260 4.177) 7.761 16.308 ( -15.931 -3.310 12.650) 20.610 17.101 ( -0.343 -6.229 -25.766) 26.511 19.799 ( -1.874 25.374 21.146) 33.083 20.177 ( -0.169 8.463 3.961) 9.346 22.241 ( -2.840 -13.089 12.752) 18.494 22.531 ( 1.088 -10.279 -0.938) 10.379 24.605 ( 2.958 0.558 -2.446) 3.878 24.752 ( 5.408 -4.699 -8.542) 11.148 25.093 ( -3.269 2.479 2.585) 4.849 25.205 ( -4.394 -1.446 -2.793) 5.403 26.707 ( -8.799 -3.112 16.924) 19.327 27.070 ( -0.580 -1.339 0.214) 1.475 28.154 ( 4.259 -3.486 9.365) 10.862 28.535 ( 6.046 -0.217 -9.196) 11.008 32.311 ( 8.418 1.864 18.579) 20.482 33.348 ( 14.418 5.628 -29.520) 33.332 ======================= Grid point 538 (171/216) ======================= q-point: ( 0.45 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.944 ( 28.295 -7.102 10.484) 30.999 6.393 ( 25.746 -17.764 1.068) 31.298 7.282 ( 31.299 -6.458 16.318) 35.884 8.095 ( 14.843 5.418 -6.697) 17.162 8.590 ( 4.351 5.373 4.185) 8.082 8.822 ( -0.841 -3.119 3.100) 4.477 9.100 ( -0.524 7.747 -8.838) 11.764 9.530 ( -2.981 -4.939 18.529) 19.406 9.812 ( -0.502 -10.021 -19.938) 22.320 10.644 ( -28.414 6.125 8.130) 30.182 10.808 ( -4.044 8.185 -11.507) 14.689 11.222 ( -19.173 6.614 -9.800) 22.525 11.949 ( 8.233 -4.180 12.568) 15.595 12.280 ( 3.206 -0.562 0.149) 3.258 12.441 ( -5.932 9.000 -4.404) 11.644 13.028 ( 7.681 -0.238 -9.257) 12.031 13.184 ( -5.327 -5.065 -6.320) 9.694 13.430 ( -13.958 1.741 -16.190) 21.447 14.844 ( 4.240 3.494 10.878) 12.187 14.966 ( 9.590 -4.976 5.438) 12.096 16.276 ( -13.275 -11.524 20.445) 26.963 17.283 ( 5.796 -12.051 -25.483) 28.779 19.268 ( -8.406 28.684 22.835) 37.615 19.876 ( -6.555 20.664 -5.271) 22.311 22.505 ( 0.215 -17.081 14.466) 22.385 22.763 ( 3.680 -12.254 2.202) 12.983 24.640 ( 2.697 -1.381 0.372) 3.052 24.883 ( 3.775 -3.530 -5.671) 7.673 25.036 ( -1.556 -0.268 -1.386) 2.101 25.185 ( -3.452 -0.465 -4.216) 5.468 26.709 ( -7.307 -6.286 16.329) 18.962 27.077 ( -2.392 -1.202 0.429) 2.711 28.284 ( 4.983 -5.760 7.154) 10.449 28.599 ( 5.921 -0.403 -7.665) 9.693 32.326 ( 5.069 4.257 18.522) 19.670 33.324 ( 9.546 10.625 -27.403) 30.902 ======================= Grid point 539 (172/216) ======================= q-point: ( 0.55 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.332 ( 23.172 -7.529 9.524) 26.160 6.879 ( 25.369 -7.135 -4.316) 26.704 7.668 ( 25.223 -0.144 18.239) 31.127 8.023 ( 2.604 3.260 16.927) 17.434 8.469 ( 3.269 14.219 4.422) 15.245 8.904 ( -3.860 -4.232 0.410) 5.742 9.026 ( 1.944 0.224 -1.928) 2.747 9.605 ( -10.320 -6.739 16.445) 20.551 9.934 ( -8.905 -7.374 -12.193) 16.803 10.172 ( -20.550 3.153 -12.188) 24.099 10.684 ( -17.115 7.332 -20.431) 27.643 10.936 ( -6.462 2.983 -17.541) 18.929 11.976 ( 7.040 5.821 7.184) 11.621 12.280 ( 1.265 -1.679 2.588) 3.334 12.461 ( 1.587 -4.192 -2.429) 5.099 13.040 ( -5.836 2.329 -23.050) 23.891 13.242 ( 1.986 -2.762 0.980) 3.540 13.372 ( -0.014 -2.002 -3.402) 3.947 14.741 ( 1.965 9.479 13.741) 16.809 15.079 ( 6.312 2.714 -1.736) 7.086 16.502 ( -0.496 -23.192 29.325) 37.390 17.619 ( 17.231 -12.779 -19.843) 29.223 18.704 ( -16.163 21.267 19.555) 33.105 19.405 ( -12.416 21.661 -11.134) 27.337 22.779 ( 1.376 -12.839 13.729) 18.847 22.982 ( 3.761 -8.172 4.479) 10.049 24.703 ( 2.180 -2.985 3.463) 5.065 24.888 ( -0.537 2.867 6.499) 7.123 25.122 ( 2.231 -5.979 -13.157) 14.623 25.150 ( -2.346 0.191 -6.381) 6.801 26.774 ( -5.187 -8.179 13.631) 16.721 27.068 ( -2.515 -0.567 1.589) 3.029 28.415 ( 3.411 -3.517 6.082) 7.810 28.684 ( 4.926 -4.199 -6.053) 8.862 32.266 ( 1.690 6.454 17.230) 18.476 33.181 ( 5.375 14.358 -24.591) 28.978 ======================= Grid point 540 (173/216) ======================= q-point: ( 0.64 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.605 ( 12.499 -1.566 6.339) 14.101 7.089 ( 12.677 3.818 0.200) 13.241 7.703 ( 18.052 13.690 20.213) 30.362 8.002 ( 2.036 14.914 15.404) 21.538 8.405 ( 8.743 -4.830 12.131) 15.714 8.794 ( -14.400 4.065 10.100) 18.052 9.036 ( -2.183 3.617 -3.086) 5.232 9.375 ( -21.725 3.867 5.450) 22.730 10.031 ( -3.679 -10.205 9.123) 14.174 10.253 ( 1.256 -12.083 -33.904) 36.015 10.423 ( -13.763 -5.662 -26.251) 30.176 10.933 ( 1.471 -1.158 -23.236) 23.312 12.033 ( 8.068 -5.199 9.476) 13.488 12.303 ( -1.733 0.341 4.993) 5.296 12.543 ( 1.813 -4.111 -7.478) 8.724 12.931 ( -7.988 -1.043 -25.671) 26.905 13.186 ( -0.129 13.850 7.689) 15.842 13.374 ( 1.698 4.821 -0.715) 5.162 14.622 ( 1.147 4.911 13.634) 14.537 15.039 ( 2.173 4.759 -5.567) 7.639 17.026 ( 13.028 -28.761 32.770) 45.506 17.902 ( 14.234 10.946 12.910) 22.115 18.371 ( -8.900 -9.008 -9.515) 15.839 18.926 ( -18.992 15.177 -15.155) 28.648 22.955 ( 1.157 -6.038 11.527) 13.064 23.107 ( 2.091 -2.991 5.363) 6.487 24.779 ( 1.530 -3.425 6.525) 7.527 24.823 ( -0.822 3.401 7.546) 8.318 25.083 ( -1.610 3.307 -5.524) 6.637 25.273 ( 1.782 -6.731 -16.003) 17.452 26.878 ( -2.642 -8.101 9.641) 12.867 27.048 ( -1.575 0.476 3.262) 3.653 28.461 ( 1.210 0.259 9.366) 9.447 28.845 ( 3.479 -9.003 -8.060) 12.575 32.145 ( -0.573 7.924 15.134) 17.092 32.948 ( 2.017 16.572 -21.489) 27.212 ======================= Grid point 541 (174/216) ======================= q-point: (-0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.588 ( 0.000 9.626 8.215) 12.655 7.060 ( 0.000 6.911 -1.892) 7.166 7.417 ( 0.000 31.538 31.179) 44.348 7.840 ( 0.000 1.755 18.377) 18.460 8.519 ( 0.000 3.342 -13.211) 13.627 8.552 ( 0.000 12.812 -0.608) 12.827 8.885 ( 0.000 5.667 16.042) 17.013 9.286 ( -0.000 -7.175 3.271) 7.885 10.244 ( -0.000 -14.925 12.040) 19.176 10.348 ( -0.000 -3.366 -34.298) 34.462 10.634 ( -0.000 -15.341 -28.207) 32.109 10.975 ( -0.000 -3.560 -20.464) 20.772 12.197 ( 0.000 9.998 9.608) 13.867 12.327 ( -0.000 -20.941 10.571) 23.457 12.612 ( -0.000 -0.866 -8.650) 8.693 12.824 ( 0.000 22.881 10.006) 24.973 13.005 ( -0.000 -13.226 -21.890) 25.575 13.206 ( 0.000 13.687 -5.163) 14.629 14.595 ( -0.000 -0.242 11.754) 11.757 15.003 ( 0.000 0.447 -7.739) 7.752 17.577 ( 0.000 19.584 24.776) 31.582 17.688 ( -0.000 -33.299 33.844) 47.479 18.454 ( 0.000 18.658 -17.714) 25.728 18.806 ( -0.000 -25.701 -18.110) 31.441 23.007 ( 0.000 0.544 9.250) 9.266 23.133 ( 0.000 0.909 4.787) 4.873 24.749 ( 0.000 4.230 6.999) 8.178 24.855 ( -0.000 -3.991 8.975) 9.822 25.006 ( 0.000 4.598 -5.754) 7.365 25.381 ( -0.000 -4.628 -15.455) 16.133 26.984 ( -0.000 -4.547 5.580) 7.199 27.023 ( 0.000 0.608 4.580) 4.620 28.452 ( 0.000 1.072 14.774) 14.813 29.032 ( -0.000 -9.884 -12.008) 15.552 31.999 ( 0.000 8.057 12.329) 14.728 32.666 ( 0.000 16.966 -18.058) 24.778 ======================= Grid point 548 (175/216) ======================= q-point: ( 0.36 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.838 ( 29.694 -0.000 7.964) 30.743 5.931 ( 25.787 -0.000 16.828) 30.792 7.175 ( 25.742 -0.000 4.052) 26.059 8.032 ( 13.911 -0.000 -25.630) 29.162 8.809 ( 20.686 -0.000 15.838) 26.053 8.824 ( -3.197 0.000 2.571) 4.103 9.390 ( -1.970 0.000 -15.136) 15.264 9.426 ( 2.771 -0.000 -22.688) 22.857 9.601 ( 10.687 -0.000 28.251) 30.205 10.681 ( -12.517 0.000 -0.770) 12.541 11.019 ( -16.963 0.000 3.417) 17.304 11.338 ( -16.683 0.000 -7.162) 18.156 11.788 ( 6.993 -0.000 16.715) 18.119 12.197 ( -6.689 0.000 -1.831) 6.935 12.794 ( -13.662 0.000 -6.935) 15.321 12.950 ( 10.540 -0.000 -12.445) 16.308 13.240 ( -16.372 0.000 -1.968) 16.490 13.409 ( -10.863 0.000 -14.068) 17.774 14.688 ( 13.231 -0.000 15.229) 20.174 14.959 ( 10.039 -0.000 3.855) 10.754 16.079 ( -22.430 0.000 13.731) 26.299 17.012 ( -3.858 0.000 -30.810) 31.051 20.118 ( 0.925 -0.000 15.938) 15.964 20.199 ( 0.374 -0.000 12.307) 12.313 22.086 ( -2.561 0.000 13.142) 13.389 22.430 ( 0.312 -0.000 -2.942) 2.958 24.641 ( 2.185 -0.000 -4.218) 4.750 24.761 ( 5.589 -0.000 -8.834) 10.454 25.092 ( -2.623 0.000 1.437) 2.991 25.141 ( -4.382 0.000 -0.930) 4.480 26.594 ( -7.940 0.000 19.940) 21.463 27.051 ( -1.292 0.000 -0.633) 1.439 28.170 ( 5.023 -0.000 9.348) 10.612 28.605 ( 7.432 -0.000 -11.535) 13.722 32.406 ( 6.825 -0.000 21.029) 22.109 33.519 ( 10.103 -0.000 -30.398) 32.033 ======================= Grid point 549 (176/216) ======================= q-point: ( 0.45 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.126 ( 25.446 -2.876 11.293) 27.987 6.349 ( 26.647 -15.714 18.008) 35.795 7.379 ( 7.933 -4.303 -1.467) 9.143 8.192 ( 6.540 -6.980 -21.925) 23.921 8.710 ( 3.596 10.826 6.762) 13.261 8.987 ( 17.145 2.607 16.038) 23.621 9.266 ( 1.248 8.367 -4.632) 9.645 9.488 ( -0.901 0.073 -3.082) 3.212 9.739 ( 13.202 -0.960 -4.635) 14.025 10.425 ( -33.386 3.872 12.280) 35.783 10.887 ( -2.926 4.593 -15.489) 16.419 11.102 ( -22.873 3.713 -10.854) 25.588 11.915 ( 6.657 -6.691 14.451) 17.260 12.239 ( 2.570 -6.963 -2.410) 7.804 12.571 ( -7.541 12.192 -2.620) 14.573 13.061 ( -6.333 1.615 -0.200) 6.539 13.087 ( 5.539 -4.234 -13.316) 15.031 13.325 ( -10.324 -0.320 -13.784) 17.225 14.915 ( 16.810 -5.356 13.776) 22.384 15.038 ( 9.212 1.465 7.194) 11.780 15.907 ( -23.774 -8.010 18.729) 31.307 17.076 ( -1.881 -11.654 -33.717) 35.724 19.757 ( -1.999 30.708 21.310) 37.431 20.159 ( -1.207 12.910 2.611) 13.227 22.208 ( -0.767 -15.045 15.557) 21.655 22.562 ( 1.521 -12.697 -1.185) 12.843 24.655 ( 1.897 0.185 -2.695) 3.301 24.853 ( 4.531 -4.147 -10.459) 12.129 25.033 ( -2.758 2.425 2.213) 4.288 25.133 ( -2.735 -2.024 -1.942) 3.917 26.557 ( -5.648 -3.520 20.276) 21.340 27.042 ( -1.636 -0.586 -0.989) 1.999 28.248 ( 4.273 -3.573 8.443) 10.115 28.665 ( 5.703 0.800 -11.263) 12.650 32.437 ( 4.275 2.849 21.613) 22.215 33.547 ( 6.218 5.924 -29.454) 30.680 ======================= Grid point 550 (177/216) ======================= q-point: ( 0.55 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.407 ( 14.818 -5.737 11.090) 19.377 6.938 ( 28.192 -18.764 13.257) 36.368 7.467 ( -16.438 -11.067 4.130) 20.242 8.343 ( 18.658 7.194 1.582) 20.060 8.608 ( -5.955 -2.234 -5.404) 8.346 8.971 ( 9.034 15.530 -6.949) 19.264 9.223 ( 15.487 6.172 15.372) 22.676 9.443 ( -3.054 -1.239 17.124) 17.439 9.759 ( -20.567 4.685 3.599) 21.399 10.081 ( -4.369 0.707 -19.705) 20.196 10.643 ( -21.011 10.183 -18.870) 30.021 10.928 ( -2.032 1.049 -17.433) 17.582 12.099 ( 6.363 -5.068 9.546) 12.542 12.279 ( -4.132 9.828 5.777) 12.126 12.414 ( 2.293 -5.616 -4.868) 7.778 13.044 ( -1.967 3.042 -22.767) 23.053 13.157 ( -1.978 -6.591 -1.452) 7.033 13.314 ( 1.056 -4.896 -3.979) 6.396 14.938 ( 3.505 9.570 12.479) 16.112 15.192 ( 10.564 0.757 1.376) 10.680 15.990 ( -12.320 -25.605 31.282) 42.261 17.380 ( 3.087 -22.339 -32.487) 39.547 19.134 ( -4.095 36.273 24.144) 43.766 19.774 ( -2.974 26.666 -6.351) 27.573 22.512 ( 0.281 -18.368 16.501) 24.693 22.819 ( 1.602 -13.615 1.946) 13.846 24.680 ( 1.180 -1.490 0.127) 1.905 24.933 ( 1.145 1.958 4.011) 4.608 25.018 ( -0.275 -6.024 -12.526) 13.902 25.137 ( -1.324 -0.472 -3.707) 3.964 26.603 ( -2.935 -6.587 18.303) 19.672 27.038 ( -1.169 -0.648 -0.337) 1.378 28.364 ( 2.364 -5.460 6.499) 8.811 28.693 ( 2.795 0.344 -8.855) 9.291 32.392 ( 1.660 5.698 20.719) 21.553 33.444 ( 2.864 11.085 -27.491) 29.780 ======================= Grid point 551 (178/216) ======================= q-point: ( 0.64 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.591 ( -0.000 -6.521 8.433) 10.660 7.251 ( 0.000 4.578 -8.884) 9.994 7.660 ( -0.000 -24.501 34.953) 42.685 8.228 ( 0.000 16.698 7.469) 18.292 8.641 ( -0.000 -0.700 4.992) 5.041 8.741 ( 0.000 14.179 -5.417) 15.179 9.169 ( 0.000 9.731 33.008) 34.413 9.336 ( 0.000 7.941 -8.315) 11.498 9.727 ( -0.000 -19.881 2.205) 20.003 10.183 ( -0.000 -5.525 -35.858) 36.281 10.313 ( 0.000 9.557 -17.046) 19.542 10.922 ( -0.000 -0.568 -19.978) 19.986 12.074 ( 0.000 5.792 9.125) 10.808 12.256 ( -0.000 -4.531 5.993) 7.513 12.504 ( -0.000 -3.236 -5.457) 6.344 12.925 ( 0.000 5.171 -31.852) 32.269 13.284 ( -0.000 -3.506 5.295) 6.350 13.395 ( -0.000 -2.476 -0.713) 2.577 14.768 ( 0.000 10.614 14.535) 17.998 15.156 ( 0.000 6.560 -3.581) 7.474 16.489 ( -0.000 -34.879 35.311) 49.633 17.853 ( -0.000 -28.139 -28.464) 40.025 18.490 ( 0.000 33.921 25.444) 42.404 19.267 ( 0.000 28.325 -12.005) 30.764 22.793 ( -0.000 -13.331 14.677) 19.828 23.021 ( -0.000 -8.452 4.268) 9.469 24.727 ( -0.000 -3.069 3.400) 4.580 24.880 ( 0.000 3.425 7.627) 8.360 25.120 ( 0.000 1.665 -4.839) 5.117 25.152 ( -0.000 -8.029 -16.233) 18.110 26.719 ( -0.000 -8.378 14.454) 16.707 27.041 ( -0.000 -0.335 1.210) 1.256 28.453 ( -0.000 -2.720 5.948) 6.540 28.736 ( -0.000 -4.625 -6.886) 8.295 32.282 ( 0.000 7.689 18.586) 20.114 33.232 ( 0.000 14.832 -24.858) 28.947 ======================= Grid point 561 (179/216) ======================= q-point: ( 0.45 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.311 ( 14.821 -0.000 11.879) 18.994 6.438 ( 20.815 -0.000 33.490) 39.432 7.339 ( -6.268 0.000 -17.312) 18.412 8.126 ( -0.744 0.000 -28.437) 28.447 8.941 ( 12.145 -0.000 5.028) 13.144 9.125 ( 10.414 -0.000 15.927) 19.029 9.287 ( -6.375 0.000 14.479) 15.820 9.558 ( 14.481 -0.000 -6.714) 15.962 9.989 ( 23.703 -0.000 -11.305) 26.261 10.106 ( -36.294 0.000 14.664) 39.144 10.890 ( -24.566 0.000 -13.644) 28.101 10.917 ( 0.209 -0.000 -19.069) 19.071 11.902 ( 3.470 -0.000 11.827) 12.325 12.172 ( 1.275 -0.000 -3.289) 3.528 12.646 ( -1.960 0.000 1.138) 2.266 13.006 ( -6.957 0.000 3.998) 8.024 13.097 ( 4.174 -0.000 -16.426) 16.948 13.236 ( -5.730 0.000 -9.669) 11.239 15.064 ( 23.912 -0.000 16.654) 29.140 15.137 ( 5.973 -0.000 8.155) 10.108 15.581 ( -27.023 0.000 17.733) 32.322 16.934 ( -2.877 0.000 -38.917) 39.023 20.128 ( 0.158 -0.000 15.587) 15.588 20.195 ( -0.352 0.000 12.365) 12.370 22.058 ( -0.560 0.000 14.831) 14.842 22.440 ( 0.433 -0.000 -3.193) 3.222 24.672 ( 0.873 -0.000 -4.077) 4.170 24.850 ( 2.898 -0.000 -12.125) 12.467 25.055 ( -0.968 0.000 1.193) 1.537 25.071 ( -2.310 0.000 1.276) 2.639 26.484 ( -2.934 0.000 21.914) 22.109 27.025 ( -0.883 0.000 -1.756) 1.966 28.250 ( 2.388 -0.000 9.202) 9.507 28.719 ( 3.310 -0.000 -12.893) 13.311 32.496 ( 2.286 -0.000 22.870) 22.984 33.644 ( 2.988 -0.000 -29.898) 30.047 ======================= Grid point 562 (180/216) ======================= q-point: ( 0.55 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.411 ( -0.000 -2.797 12.594) 12.901 6.723 ( -0.000 -18.980 40.340) 44.582 7.297 ( -0.000 -0.394 -24.408) 24.412 8.231 ( -0.000 -12.221 -26.548) 29.226 8.840 ( 0.000 15.639 1.735) 15.735 9.208 ( 0.000 3.666 -14.812) 15.259 9.263 ( -0.000 -3.363 49.085) 49.200 9.672 ( 0.000 10.514 -9.505) 14.174 9.687 ( 0.000 8.324 25.484) 26.809 10.113 ( 0.000 2.282 -20.605) 20.731 10.668 ( 0.000 7.278 -17.118) 18.601 10.927 ( -0.000 -0.273 -19.202) 19.204 11.986 ( -0.000 -7.464 10.804) 13.132 12.282 ( -0.000 -9.489 -4.314) 10.424 12.501 ( 0.000 13.670 4.624) 14.431 13.012 ( -0.000 -5.179 5.072) 7.249 13.109 ( 0.000 2.261 -23.769) 23.876 13.238 ( -0.000 -3.678 -5.435) 6.563 15.106 ( 0.000 6.592 10.289) 12.220 15.296 ( 0.000 1.087 0.713) 1.300 15.493 ( -0.000 -18.456 34.166) 38.832 17.051 ( -0.000 -14.777 -38.401) 41.146 19.735 ( 0.000 32.822 21.538) 39.258 20.145 ( 0.000 14.568 2.279) 14.745 22.202 ( -0.000 -15.643 16.566) 22.785 22.578 ( -0.000 -13.533 -1.309) 13.597 24.674 ( -0.000 -0.033 -2.777) 2.777 24.909 ( -0.000 -4.772 -13.897) 14.693 24.996 ( 0.000 3.427 4.476) 5.638 25.105 ( -0.000 -2.337 -1.338) 2.693 26.500 ( -0.000 -3.522 21.234) 21.525 27.024 ( -0.000 -0.395 -1.540) 1.590 28.294 ( -0.000 -3.583 8.358) 9.094 28.725 ( 0.000 1.140 -11.888) 11.943 32.479 ( 0.000 3.196 22.546) 22.772 33.607 ( 0.000 5.984 -29.198) 29.805 ======================= Grid point 625 (181/216) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.673 ( 0.000 0.000 -44.808) 44.808 5.673 ( 0.000 0.000 44.808) 44.808 5.808 ( 0.000 0.000 -36.171) 36.171 5.808 ( 0.000 0.000 36.171) 36.171 6.427 ( 0.000 0.000 -4.905) 4.905 6.427 ( 0.000 0.000 4.905) 4.905 9.222 ( 0.000 0.000 -0.932) 0.932 9.222 ( 0.000 0.000 0.932) 0.932 10.981 ( 0.000 0.000 -56.728) 56.728 10.981 ( 0.000 0.000 56.728) 56.728 11.587 ( 0.000 0.000 -5.532) 5.532 11.587 ( 0.000 0.000 5.532) 5.532 11.676 ( 0.000 0.000 -6.918) 6.918 11.676 ( 0.000 0.000 6.918) 6.918 13.383 ( 0.000 0.000 -6.875) 6.875 13.383 ( 0.000 0.000 6.875) 6.875 14.550 ( 0.000 0.000 -1.634) 1.634 14.550 ( 0.000 0.000 1.634) 1.634 14.927 ( 0.000 0.000 -19.935) 19.935 14.927 ( 0.000 0.000 19.935) 19.935 16.631 ( 0.000 0.000 -13.357) 13.357 16.631 ( 0.000 0.000 13.357) 13.357 20.044 ( 0.000 0.000 -0.507) 0.507 20.044 ( 0.000 0.000 0.507) 0.507 22.620 ( 0.000 0.000 -3.633) 3.633 22.620 ( 0.000 0.000 3.633) 3.633 24.431 ( 0.000 0.000 -1.515) 1.515 24.431 ( 0.000 0.000 1.515) 1.515 25.388 ( 0.000 0.000 -3.090) 3.090 25.388 ( 0.000 0.000 3.090) 3.090 26.700 ( 0.000 0.000 -1.666) 1.666 26.700 ( 0.000 0.000 1.666) 1.666 28.926 ( 0.000 0.000 -26.876) 26.876 28.926 ( 0.000 0.000 26.876) 26.876 31.648 ( 0.000 0.000 -0.514) 0.514 31.648 ( 0.000 0.000 0.514) 0.514 ======================= Grid point 627 (182/216) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.615 ( -21.483 -9.408 -34.184) 41.455 5.615 ( -21.483 -9.408 34.184) 41.455 5.953 ( 10.236 -9.667 -34.132) 36.922 5.953 ( 10.236 -9.667 34.132) 36.922 6.769 ( 31.161 -17.519 -15.987) 39.160 6.769 ( 31.161 -17.519 15.987) 39.160 9.240 ( -0.423 -2.345 -9.466) 9.761 9.240 ( -0.423 -2.345 9.466) 9.761 10.911 ( -2.409 6.648 -53.442) 53.908 10.911 ( -2.409 6.648 53.442) 53.908 11.539 ( -3.381 3.952 -6.790) 8.553 11.539 ( -3.381 3.952 6.790) 8.553 11.684 ( 4.278 0.664 -7.069) 8.289 11.684 ( 4.278 0.664 7.069) 8.289 13.235 ( -3.126 13.749 -11.169) 17.988 13.235 ( -3.126 13.749 11.169) 17.988 14.573 ( -10.282 -3.679 -5.212) 12.100 14.573 ( -10.282 -3.679 5.212) 12.100 14.832 ( 1.388 7.329 -15.838) 17.507 14.832 ( 1.388 7.329 15.838) 17.507 16.709 ( 0.501 -7.771 -14.794) 16.718 16.709 ( 0.501 -7.771 14.794) 16.718 20.006 ( 2.315 6.069 -5.896) 8.772 20.006 ( 2.315 6.069 5.896) 8.772 22.637 ( -2.510 -3.660 -3.629) 5.733 22.637 ( -2.510 -3.660 3.629) 5.733 24.459 ( 0.870 -2.695 -2.184) 3.576 24.459 ( 0.870 -2.695 2.184) 3.576 25.366 ( -1.613 1.490 -4.267) 4.799 25.366 ( -1.613 1.490 4.267) 4.799 26.750 ( 4.022 -3.264 -3.241) 6.110 26.750 ( 4.022 -3.264 3.241) 6.110 28.878 ( -9.522 -0.347 -24.714) 26.487 28.878 ( -9.522 -0.347 24.714) 26.487 31.718 ( 10.729 -1.446 -1.821) 10.979 31.718 ( 10.729 -1.446 1.821) 10.979 ======================= Grid point 629 (183/216) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.624 ( -17.694 -14.221 -27.244) 35.462 5.624 ( -17.694 -14.221 27.244) 35.462 6.315 ( 13.523 -17.772 -31.894) 38.936 6.315 ( 13.523 -17.772 31.894) 38.936 7.505 ( 36.422 -26.100 -19.120) 48.717 7.505 ( 36.422 -26.100 19.120) 48.717 9.292 ( -1.010 -4.489 -18.428) 18.993 9.292 ( -1.010 -4.489 18.428) 18.993 10.716 ( -3.538 11.945 -42.252) 44.051 10.716 ( -3.538 11.945 42.252) 44.051 11.400 ( -3.532 7.291 -9.342) 12.366 11.400 ( -3.532 7.291 9.342) 12.366 11.754 ( 8.331 -1.724 -8.770) 12.218 11.754 ( 8.331 -1.724 8.770) 12.218 12.910 ( -8.636 15.921 -14.193) 23.011 12.910 ( -8.636 15.921 14.193) 23.011 14.334 ( -15.256 12.618 -9.470) 21.946 14.334 ( -15.256 12.618 9.470) 21.946 14.839 ( 4.728 -0.950 -2.612) 5.484 14.839 ( 4.728 -0.950 2.612) 5.484 16.862 ( -3.806 -10.647 -17.605) 20.923 16.862 ( -3.806 -10.647 17.605) 20.923 19.876 ( 2.531 11.643 -11.530) 16.580 19.876 ( 2.531 11.643 11.530) 16.580 22.705 ( -2.302 -6.981 -3.320) 8.066 22.705 ( -2.302 -6.981 3.320) 8.066 24.535 ( 1.567 -4.544 -3.625) 6.021 24.535 ( 1.567 -4.544 3.625) 6.021 25.310 ( -2.669 2.429 -6.418) 7.363 25.310 ( -2.669 2.429 6.418) 7.363 26.876 ( 6.134 -5.041 -5.012) 9.390 26.876 ( 6.134 -5.041 5.012) 9.390 28.775 ( -13.318 -1.440 -20.008) 24.078 28.775 ( -13.318 -1.440 20.008) 24.078 31.881 ( 15.461 -1.702 -4.900) 16.308 31.881 ( 15.461 -1.702 4.900) 16.308 ======================= Grid point 631 (184/216) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.746 ( -10.460 -15.639 -22.692) 29.477 5.746 ( -10.460 -15.639 22.692) 29.477 6.775 ( 12.694 -18.661 -25.857) 34.321 6.775 ( 12.694 -18.661 25.857) 34.321 8.278 ( 30.117 -22.915 -17.430) 41.665 8.278 ( 30.117 -22.915 17.430) 41.665 9.374 ( -1.437 -6.475 -26.916) 27.721 9.374 ( -1.437 -6.475 26.916) 27.721 10.466 ( -1.788 12.709 -24.042) 27.253 10.466 ( -1.788 12.709 24.042) 27.253 11.244 ( -0.610 8.322 -7.780) 11.408 11.244 ( -0.610 8.322 7.780) 11.408 11.905 ( 10.130 -4.200 -12.251) 16.442 11.905 ( 10.130 -4.200 12.251) 16.442 12.563 ( -12.825 9.855 -12.944) 20.716 12.563 ( -12.825 9.855 12.944) 20.716 13.956 ( -9.895 15.433 -9.008) 20.427 13.956 ( -9.895 15.433 9.008) 20.427 14.869 ( 2.112 2.103 -4.451) 5.356 14.869 ( 2.112 2.103 4.451) 5.356 16.963 ( -9.663 -8.079 -19.726) 23.405 16.963 ( -9.663 -8.079 19.726) 23.405 19.677 ( 1.988 13.075 -15.348) 20.260 19.677 ( 1.988 13.075 15.348) 20.260 22.822 ( -0.624 -7.809 -2.950) 8.371 22.822 ( -0.624 -7.809 2.950) 8.371 24.641 ( 2.259 -5.483 -5.255) 7.924 24.641 ( 2.259 -5.483 5.255) 7.924 25.235 ( -3.134 2.906 -8.230) 9.274 25.235 ( -3.134 2.906 8.230) 9.274 27.025 ( 5.843 -4.870 -5.487) 9.379 27.025 ( 5.843 -4.870 5.487) 9.379 28.683 ( -11.751 -2.498 -14.839) 19.092 28.683 ( -11.751 -2.498 14.839) 19.092 32.057 ( 14.275 -1.135 -6.834) 15.867 32.057 ( 14.275 -1.135 6.834) 15.867 ======================= Grid point 633 (185/216) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.933 ( -4.295 -13.773 -18.415) 23.394 5.933 ( -4.295 -13.773 18.415) 23.394 7.137 ( 7.380 -10.530 -17.959) 22.087 7.137 ( 7.380 -10.530 17.959) 22.087 8.817 ( 16.753 -11.903 -15.656) 25.835 8.817 ( 16.753 -11.903 15.656) 25.835 9.500 ( 0.631 -9.227 -33.400) 34.657 9.500 ( 0.631 -9.227 33.400) 34.657 10.295 ( 2.692 6.563 -9.383) 11.763 10.295 ( 2.692 6.563 9.383) 11.763 11.084 ( 0.301 11.120 -5.050) 12.216 11.084 ( 0.301 11.120 5.050) 12.216 11.944 ( -6.372 4.697 -15.386) 17.303 11.944 ( -6.372 4.697 15.386) 17.303 12.503 ( 4.203 -10.881 -11.231) 16.193 12.503 ( 4.203 -10.881 11.231) 16.193 13.641 ( -4.007 12.712 -7.335) 15.214 13.641 ( -4.007 12.712 7.336) 15.214 14.806 ( -1.000 5.526 -6.228) 8.386 14.806 ( -1.000 5.526 6.228) 8.386 16.946 ( -11.497 -2.808 -20.656) 23.806 16.946 ( -11.497 -2.808 20.656) 23.806 19.499 ( 1.758 9.108 -16.095) 18.577 19.499 ( 1.758 9.108 16.095) 18.577 22.941 ( 0.367 -5.734 -2.791) 6.387 22.941 ( 0.367 -5.734 2.791) 6.387 24.762 ( 2.821 -5.478 -6.680) 9.088 24.762 ( 2.821 -5.478 6.680) 9.088 25.150 ( -3.209 3.257 -8.983) 10.079 25.150 ( -3.209 3.257 8.983) 10.079 27.145 ( 3.898 -3.295 -4.254) 6.644 27.145 ( 3.898 -3.295 4.254) 6.644 28.631 ( -7.513 -2.438 -9.517) 12.368 28.631 ( -7.513 -2.438 9.517) 12.368 32.190 ( 9.613 -0.511 -7.194) 12.018 32.190 ( 9.613 -0.511 7.194) 12.018 ======================= Grid point 635 (186/216) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.092 ( -0.822 -6.107 -12.391) 13.838 6.092 ( -0.822 -6.107 12.391) 13.838 7.278 ( 1.745 -1.867 -9.395) 9.736 7.278 ( 1.745 -1.867 9.395) 9.736 9.029 ( 3.925 -2.596 -6.569) 8.081 9.029 ( 3.925 -2.596 6.569) 8.081 9.672 ( 2.136 -6.139 -24.546) 25.392 9.672 ( 2.136 -6.139 24.546) 25.392 10.301 ( 4.228 -1.771 -3.946) 6.048 10.301 ( 4.228 -1.771 3.946) 6.048 10.867 ( -2.488 10.151 -3.976) 11.182 10.867 ( -2.488 10.151 3.976) 11.182 11.797 ( -5.428 2.003 -9.613) 11.220 11.797 ( -5.428 2.003 9.613) 11.220 12.794 ( 5.836 -9.948 -6.155) 13.073 12.794 ( 5.836 -9.948 6.155) 13.073 13.449 ( -0.707 6.374 -3.868) 7.489 13.449 ( -0.707 6.374 3.868) 7.489 14.697 ( -1.722 3.755 -6.159) 7.416 14.697 ( -1.722 3.755 6.159) 7.416 16.876 ( -5.296 -0.086 -20.564) 21.235 16.876 ( -5.296 -0.086 20.564) 21.235 19.408 ( 0.797 3.015 -15.121) 15.439 19.408 ( 0.797 3.015 15.121) 15.439 23.013 ( 0.266 -2.056 -2.729) 3.428 23.013 ( 0.266 -2.056 2.729) 3.428 24.871 ( 2.175 -3.499 -6.651) 7.823 24.871 ( 2.175 -3.499 6.651) 7.823 25.067 ( -2.251 2.610 -7.445) 8.204 25.067 ( -2.251 2.610 7.445) 8.204 27.210 ( 1.329 -1.136 -1.596) 2.367 27.210 ( 1.329 -1.136 1.596) 2.367 28.613 ( -2.526 -1.013 -4.351) 5.132 28.613 ( -2.526 -1.013 4.351) 5.132 32.260 ( 3.354 -0.128 -6.889) 7.663 32.260 ( 3.354 -0.128 6.889) 7.663 ======================= Grid point 649 (187/216) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.331 ( -17.219 0.000 -27.718) 32.631 5.331 ( -17.219 0.000 27.718) 32.631 5.984 ( 14.919 -0.000 -33.974) 37.105 5.984 ( 14.919 -0.000 33.974) 37.105 7.005 ( 43.364 -0.000 -16.715) 46.474 7.005 ( 43.364 -0.000 16.715) 46.474 9.214 ( -0.782 0.000 -1.150) 1.391 9.214 ( -0.782 0.000 1.150) 1.391 10.927 ( -5.631 0.000 -53.470) 53.766 10.927 ( -5.631 0.000 53.470) 53.766 11.546 ( -3.113 0.000 -6.318) 7.043 11.546 ( -3.113 0.000 6.318) 7.043 11.727 ( 4.563 -0.000 -9.726) 10.743 11.727 ( 4.563 -0.000 9.726) 10.743 13.336 ( -4.593 0.000 -7.110) 8.465 13.336 ( -4.593 0.000 7.110) 8.465 14.415 ( -14.083 0.000 -1.853) 14.204 14.415 ( -14.083 0.000 1.853) 14.204 14.853 ( -6.110 0.000 -12.395) 13.819 14.853 ( -6.110 0.000 12.395) 13.819 16.666 ( 3.003 -0.000 -11.722) 12.101 16.666 ( 3.003 -0.000 11.722) 12.101 20.096 ( 4.733 -0.000 -0.015) 4.733 20.096 ( 4.733 -0.000 0.015) 4.733 22.562 ( -5.333 0.000 -3.869) 6.589 22.562 ( -5.333 0.000 3.869) 6.589 24.448 ( 1.730 -0.000 -1.132) 2.068 24.448 ( 1.730 -0.000 1.132) 2.068 25.356 ( -3.008 0.000 -2.952) 4.214 25.356 ( -3.008 0.000 2.952) 4.214 26.779 ( 7.211 -0.000 -1.186) 7.308 26.779 ( 7.211 -0.000 1.186) 7.308 28.743 ( -15.882 0.000 -19.994) 25.534 28.743 ( -15.882 0.000 19.994) 25.534 31.858 ( 18.871 -0.000 -6.661) 20.012 31.858 ( 18.871 -0.000 6.661) 20.012 ======================= Grid point 651 (188/216) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.290 ( -7.815 -9.042 -23.738) 26.577 5.290 ( -7.815 -9.042 23.738) 26.577 6.240 ( 20.003 -9.062 -33.378) 39.954 6.240 ( 20.003 -9.062 33.378) 39.954 7.561 ( 42.837 -13.287 -18.673) 48.582 7.561 ( 42.837 -13.287 18.673) 48.582 9.224 ( -1.259 -2.197 -9.323) 9.661 9.224 ( -1.259 -2.197 9.323) 9.661 10.804 ( -8.662 5.875 -46.437) 47.602 10.804 ( -8.662 5.875 46.437) 47.602 11.485 ( -1.598 3.757 -10.076) 10.872 11.485 ( -1.598 3.757 10.076) 10.872 11.794 ( 6.948 -1.628 -12.576) 14.460 11.794 ( 6.948 -1.628 12.576) 14.460 13.120 ( -8.224 16.241 -11.805) 21.697 13.120 ( -8.224 16.241 11.805) 21.697 14.247 ( -21.896 0.967 -8.555) 23.528 14.247 ( -21.896 0.967 8.555) 23.528 14.824 ( -1.906 -3.156 -6.988) 7.901 14.824 ( -1.906 -3.156 6.988) 7.901 16.729 ( 1.295 -3.925 -13.040) 13.680 16.729 ( 1.295 -3.925 13.040) 13.680 20.075 ( 3.879 7.971 -6.772) 11.155 20.075 ( 3.879 7.971 6.772) 11.155 22.557 ( -4.826 -5.784 -3.770) 8.424 22.557 ( -4.826 -5.784 3.770) 8.424 24.492 ( 2.331 -2.570 -2.132) 4.072 24.492 ( 2.331 -2.570 2.132) 4.072 25.311 ( -3.738 1.271 -3.868) 5.527 25.311 ( -3.738 1.271 3.868) 5.527 26.880 ( 7.797 -2.621 -2.889) 8.718 26.880 ( 7.796 -2.621 2.889) 8.718 28.595 ( -15.923 -1.772 -14.991) 21.941 28.595 ( -15.923 -1.772 14.991) 21.941 32.058 ( 20.997 0.476 -11.621) 24.003 32.058 ( 20.997 0.476 11.621) 24.003 ======================= Grid point 653 (189/216) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.458 ( 1.949 -12.847 -21.411) 25.045 5.458 ( 1.949 -12.847 21.411) 25.045 6.654 ( 21.547 -13.973 -29.650) 39.226 6.654 ( 21.547 -13.973 29.650) 39.226 8.225 ( 32.590 -18.153 -18.071) 41.451 8.225 ( 32.590 -18.153 18.071) 41.451 9.263 ( -1.952 -4.264 -18.140) 18.736 9.263 ( -1.952 -4.264 18.140) 18.736 10.580 ( -9.800 8.335 -33.519) 35.903 10.580 ( -9.800 8.335 33.519) 35.903 11.398 ( 2.116 6.728 -10.795) 12.895 11.398 ( 2.116 6.728 10.795) 12.895 11.937 ( 10.817 -4.943 -15.163) 19.271 11.937 ( 10.817 -4.943 15.163) 19.271 12.691 ( -12.735 19.352 -13.688) 26.908 12.691 ( -12.735 19.352 13.688) 26.908 13.964 ( -21.795 5.270 -8.282) 23.904 13.964 ( -21.795 5.270 8.282) 23.904 14.887 ( 0.540 -2.860 -2.489) 3.830 14.887 ( 0.540 -2.860 2.489) 3.830 16.804 ( -1.533 -4.576 -16.467) 17.160 16.804 ( -1.533 -4.576 16.467) 17.160 19.899 ( -1.149 13.383 -12.596) 18.414 19.899 ( -1.149 13.383 12.596) 18.414 22.666 ( -1.001 -9.626 -3.011) 10.136 22.666 ( -1.001 -9.626 3.011) 10.136 24.579 ( 2.802 -4.502 -4.249) 6.795 24.579 ( 2.802 -4.502 4.249) 6.795 25.244 ( -3.792 2.055 -5.564) 7.040 25.244 ( -3.792 2.055 5.564) 7.040 27.005 ( 5.489 -3.889 -4.878) 8.309 27.005 ( 5.489 -3.889 4.878) 8.309 28.507 ( -11.438 -3.800 -10.975) 16.300 28.507 ( -11.438 -3.800 10.975) 16.300 32.233 ( 18.399 2.147 -14.123) 23.293 32.233 ( 18.399 2.147 14.123) 23.293 ======================= Grid point 655 (190/216) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.739 ( 9.930 -12.245 -18.979) 24.672 5.739 ( 9.930 -12.245 18.979) 24.672 7.083 ( 18.953 -10.468 -22.952) 31.553 7.083 ( 18.953 -10.468 22.952) 31.553 8.751 ( 15.874 -13.890 -15.936) 26.436 8.751 ( 15.874 -13.890 15.936) 26.436 9.339 ( -2.288 -7.658 -26.666) 27.838 9.339 ( -2.288 -7.658 26.666) 27.838 10.372 ( -6.368 5.420 -19.532) 21.247 10.372 ( -6.368 5.420 19.532) 21.247 11.273 ( -0.691 10.119 -6.831) 12.228 11.273 ( -0.691 10.119 6.831) 12.228 12.052 ( 0.843 8.897 -15.572) 17.954 12.052 ( 0.843 8.897 15.572) 17.954 12.401 ( 2.647 -3.857 -11.592) 12.500 12.401 ( 2.647 -3.857 11.592) 12.500 13.678 ( -17.161 4.889 -6.462) 18.978 13.678 ( -17.161 4.889 6.462) 18.978 14.892 ( 0.340 3.233 -4.098) 5.231 14.892 ( 0.340 3.233 4.098) 5.231 16.851 ( -0.685 -2.376 -19.171) 19.329 16.851 ( -0.685 -2.376 19.171) 19.329 19.634 ( -7.005 11.490 -15.411) 20.459 19.634 ( -7.005 11.490 15.411) 20.459 22.836 ( 2.278 -8.525 -2.400) 9.144 22.836 ( 2.278 -8.525 2.400) 9.144 24.697 ( 3.297 -5.553 -6.363) 9.066 24.697 ( 3.297 -5.553 6.363) 9.066 25.168 ( -3.514 2.589 -6.788) 8.070 25.168 ( -3.514 2.589 6.788) 8.070 27.110 ( 1.732 -3.943 -5.128) 6.696 27.110 ( 1.732 -3.943 5.128) 6.696 28.499 ( -5.529 -4.756 -7.128) 10.198 28.499 ( -5.529 -4.756 7.128) 10.198 32.338 ( 13.290 3.930 -14.201) 19.843 32.338 ( 13.290 3.930 14.201) 19.843 ======================= Grid point 657 (191/216) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.044 ( 15.008 -7.828 -15.077) 22.668 6.044 ( 15.008 -7.828 15.077) 22.668 7.330 ( 12.347 0.030 -14.646) 19.156 7.330 ( 12.347 0.030 14.646) 19.156 8.999 ( 2.566 -5.121 -6.552) 8.703 8.999 ( 2.566 -5.121 6.552) 8.703 9.504 ( -1.456 -12.765 -27.548) 30.397 9.504 ( -1.456 -12.765 27.548) 30.397 10.290 ( -1.596 -0.423 -10.361) 10.492 10.290 ( -1.596 -0.423 10.361) 10.492 10.983 ( -15.174 13.775 -7.567) 21.846 10.983 ( -15.174 13.775 7.567) 21.846 11.867 ( 2.791 6.773 -12.298) 14.314 11.867 ( 2.791 6.773 12.298) 14.314 12.682 ( 10.346 -11.682 -11.653) 19.476 12.682 ( 10.346 -11.682 11.653) 19.476 13.469 ( -11.664 3.207 -4.220) 12.812 13.469 ( -11.664 3.207 4.220) 12.812 14.795 ( 0.275 7.149 -7.286) 10.211 14.795 ( 0.275 7.149 7.286) 10.211 16.893 ( 6.667 0.041 -20.168) 21.241 16.893 ( 6.667 0.041 20.168) 21.241 19.400 ( -11.948 4.244 -15.597) 20.100 19.400 ( -11.948 4.244 15.597) 20.100 22.980 ( 3.420 -4.454 -2.414) 6.112 22.980 ( 3.420 -4.454 2.414) 6.112 24.825 ( 3.424 -5.075 -7.612) 9.768 24.825 ( 3.424 -5.075 7.612) 9.768 25.088 ( -3.019 2.773 -6.645) 7.807 25.088 ( -3.019 2.773 6.645) 7.807 27.171 ( -1.570 -3.056 -3.367) 4.811 27.171 ( -1.570 -3.056 3.367) 4.811 28.550 ( -0.394 -4.236 -4.065) 5.884 28.550 ( -0.394 -4.236 4.065) 5.884 32.360 ( 7.177 5.237 -12.718) 15.514 32.360 ( 7.177 5.237 12.718) 15.514 ======================= Grid point 659 (192/216) ======================= q-point: ( 0.55 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.258 ( 16.592 2.333 -11.751) 20.465 6.258 ( 16.592 2.333 11.751) 20.465 7.364 ( 7.359 5.513 -8.596) 12.588 7.364 ( 7.359 5.513 8.596) 12.588 9.017 ( -5.423 1.213 -7.826) 9.598 9.017 ( -5.423 1.213 7.826) 9.598 9.654 ( -3.650 -5.217 -28.317) 29.024 9.654 ( -3.650 -5.217 28.317) 29.024 10.270 ( -9.443 2.850 -10.306) 14.265 10.270 ( -9.443 2.850 10.306) 14.265 10.695 ( -10.003 -4.262 -6.113) 12.474 10.695 ( -10.003 -4.262 6.113) 12.474 11.888 ( 12.241 0.814 -8.092) 14.696 11.888 ( 12.241 0.814 8.092) 14.696 12.863 ( 0.292 -0.761 -4.634) 4.706 12.863 ( 0.292 -0.761 4.634) 4.706 13.321 ( -10.654 0.477 -2.504) 10.955 13.321 ( -10.654 0.477 2.504) 10.955 14.715 ( 3.236 2.592 -7.768) 8.806 14.715 ( 3.236 2.592 7.768) 8.806 17.005 ( 17.738 0.874 -20.023) 26.764 17.005 ( 17.738 0.874 20.023) 26.764 19.262 ( -15.336 -3.959 -15.741) 22.330 19.262 ( -15.336 -3.959 15.741) 22.330 23.049 ( 3.051 0.183 -2.793) 4.140 23.049 ( 3.051 0.183 2.793) 4.140 24.900 ( 0.390 0.640 -5.163) 5.217 24.900 ( 0.390 0.640 5.163) 5.217 25.045 ( 0.244 -1.295 -6.261) 6.398 25.045 ( 0.244 -1.295 6.261) 6.398 27.183 ( -3.626 -1.286 -0.590) 3.892 27.183 ( -3.626 -1.286 0.590) 3.892 28.627 ( 3.476 -2.791 -6.722) 8.065 28.627 ( 3.476 -2.791 6.722) 8.065 32.303 ( 0.991 5.971 -10.572) 12.182 32.303 ( 0.991 5.971 10.572) 12.182 ======================= Grid point 661 (193/216) ======================= q-point: (-0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.278 ( 16.334 13.210 -15.841) 26.310 6.278 ( 16.334 13.210 15.841) 26.310 7.297 ( 4.065 10.434 -13.402) 17.465 7.297 ( 4.065 10.434 13.402) 17.465 8.821 ( -18.501 8.642 -14.291) 24.924 8.821 ( -18.501 8.642 14.291) 24.924 9.614 ( -1.970 4.677 -38.606) 38.938 9.614 ( -1.970 4.677 38.606) 38.938 10.106 ( -14.023 -4.127 -15.457) 21.274 10.106 ( -14.023 -4.127 15.457) 21.274 10.877 ( 1.492 -14.304 -7.150) 16.061 10.877 ( 1.492 -14.304 7.150) 16.061 12.027 ( 14.037 0.910 -12.633) 18.907 12.027 ( 14.037 0.910 12.633) 18.907 12.684 ( -3.755 14.521 -9.304) 17.650 12.684 ( -3.755 14.521 9.304) 17.650 13.341 ( -10.656 -15.695 -8.961) 20.981 13.341 ( -10.656 -15.695 8.961) 20.981 14.761 ( 3.736 -2.342 -7.983) 9.120 14.761 ( 3.736 -2.342 7.983) 9.120 17.180 ( 23.241 4.013 -20.225) 31.069 17.180 ( 23.241 4.013 20.225) 31.069 19.242 ( -14.978 -11.548 -17.489) 25.760 19.242 ( -14.978 -11.548 17.489) 25.760 23.036 ( 2.112 4.168 -3.213) 5.671 23.036 ( 2.112 4.168 3.213) 5.671 24.828 ( -1.976 4.922 -6.457) 8.356 24.828 ( -1.977 4.922 6.457) 8.356 25.119 ( 2.649 -3.847 -10.656) 11.634 25.119 ( 2.649 -3.847 10.656) 11.634 27.143 ( -4.575 1.250 -2.531) 5.376 27.143 ( -4.575 1.250 2.531) 5.376 28.711 ( 6.368 -1.364 -12.200) 13.830 28.711 ( 6.368 -1.364 12.200) 13.830 32.179 ( -4.395 6.256 -8.426) 11.378 32.179 ( -4.395 6.256 8.426) 11.378 ======================= Grid point 663 (194/216) ======================= q-point: (-0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.177 ( 17.789 16.774 -19.267) 31.129 6.177 ( 17.789 16.774 19.267) 31.129 7.029 ( -3.887 21.019 -23.549) 31.803 7.029 ( -3.887 21.019 23.549) 31.803 8.369 ( -25.425 17.996 -12.149) 33.435 8.369 ( -25.425 17.996 12.149) 33.435 9.505 ( 0.918 7.070 -34.891) 35.612 9.505 ( 0.918 7.070 34.891) 35.612 10.183 ( -6.615 -15.718 -15.763) 23.222 10.183 ( -6.615 -15.718 15.763) 23.222 11.119 ( 3.652 -10.608 -4.834) 12.217 11.119 ( 3.652 -10.608 4.834) 12.217 11.966 ( -3.091 12.512 -16.029) 20.568 11.966 ( -3.091 12.512 16.029) 20.568 12.579 ( 9.159 -1.538 -11.283) 14.614 12.579 ( 9.159 -1.538 11.283) 14.614 13.620 ( -4.794 -24.915 -12.182) 28.145 13.620 ( -4.794 -24.915 12.182) 28.145 14.825 ( 0.872 -1.800 -8.493) 8.726 14.825 ( 0.872 -1.800 8.493) 8.726 17.263 ( 17.189 10.714 -20.498) 28.817 17.263 ( 17.189 10.714 20.498) 28.817 19.371 ( -9.201 -16.937 -18.401) 26.648 19.371 ( -9.201 -16.937 18.401) 26.648 22.956 ( 1.318 6.759 -3.539) 7.742 22.956 ( 1.318 6.759 3.539) 7.742 24.718 ( -1.602 5.577 -5.729) 8.154 24.718 ( -1.602 5.577 5.729) 8.154 25.207 ( 2.306 -3.469 -10.629) 11.416 25.207 ( 2.306 -3.469 10.629) 11.416 27.052 ( -4.493 3.986 -4.756) 7.662 27.052 ( -4.493 3.986 4.757) 7.662 28.799 ( 7.911 -0.643 -17.906) 19.586 28.799 ( 7.911 -0.643 17.906) 19.586 32.010 ( -7.677 6.179 -6.615) 11.869 32.010 ( -7.677 6.179 6.615) 11.869 ======================= Grid point 665 (195/216) ======================= q-point: (-0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.081 ( 19.337 15.318 -20.884) 32.322 6.081 ( 19.337 15.318 20.884) 32.322 6.547 ( -11.309 24.113 -31.628) 41.348 6.547 ( -11.309 24.113 31.628) 41.348 7.724 ( -19.826 29.757 -13.595) 38.254 7.724 ( -19.826 29.757 13.595) 38.254 9.395 ( 0.607 6.392 -27.187) 27.935 9.395 ( 0.607 6.392 27.187) 27.935 10.457 ( -1.145 -18.664 -27.571) 33.314 10.457 ( -1.145 -18.664 27.571) 33.314 11.322 ( 4.972 -8.262 -4.166) 10.504 11.322 ( 4.972 -8.262 4.166) 10.504 11.726 ( -6.666 6.749 -11.988) 15.287 11.726 ( -6.666 6.749 11.988) 15.287 12.769 ( 6.277 -9.247 -13.903) 17.838 12.769 ( 6.277 -9.247 13.903) 17.838 14.066 ( 2.042 -26.986 -15.537) 31.206 14.066 ( 2.042 -26.986 15.537) 31.206 14.827 ( -1.451 1.415 -8.782) 9.012 14.827 ( -1.451 1.415 8.782) 9.012 17.148 ( 6.485 15.353 -19.852) 25.921 17.148 ( 6.485 15.353 19.852) 25.921 19.610 ( -3.007 -16.548 -15.884) 23.134 19.610 ( -3.007 -16.548 15.884) 23.134 22.842 ( 0.884 7.319 -3.741) 8.266 22.842 ( 0.884 7.319 3.741) 8.266 24.610 ( -0.812 5.431 -4.655) 7.199 24.610 ( -0.812 5.431 4.655) 7.199 25.282 ( 1.366 -3.105 -9.136) 9.745 25.282 ( 1.366 -3.105 9.136) 9.745 26.927 ( -3.055 5.808 -5.716) 8.702 26.927 ( -3.055 5.808 5.716) 8.702 28.883 ( 6.421 -0.528 -23.005) 23.890 28.883 ( 6.421 -0.528 23.005) 23.890 31.832 ( -6.822 5.534 -5.163) 10.189 31.832 ( -6.822 5.534 5.163) 10.189 ======================= Grid point 667 (196/216) ======================= q-point: (-0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.016 ( 0.000 9.846 -22.038) 24.137 6.016 ( 0.000 9.846 22.038) 24.137 6.048 ( 0.000 20.772 -41.836) 46.709 6.048 ( 0.000 20.772 41.836) 46.709 7.056 ( 0.000 32.207 -16.570) 36.219 7.056 ( 0.000 32.207 16.570) 36.219 9.303 ( 0.000 4.598 -18.641) 19.200 9.303 ( 0.000 4.598 18.641) 19.200 10.743 ( -0.000 -13.971 -44.010) 46.174 10.743 ( -0.000 -13.971 44.010) 46.174 11.481 ( -0.000 -6.104 -5.002) 7.892 11.481 ( -0.000 -6.104 5.002) 7.892 11.635 ( -0.000 -0.185 -8.764) 8.766 11.635 ( -0.000 -0.185 8.764) 8.766 13.001 ( -0.000 -14.029 -14.429) 20.125 13.001 ( -0.000 -14.029 14.429) 20.125 14.521 ( -0.000 -22.263 -18.501) 28.947 14.521 ( -0.000 -22.263 18.501) 28.947 14.751 ( 0.000 5.872 -8.678) 10.478 14.751 ( 0.000 5.872 8.678) 10.478 16.910 ( 0.000 14.489 -18.058) 23.152 16.910 ( 0.000 14.489 18.058) 23.152 19.843 ( -0.000 -11.672 -11.186) 16.167 19.843 ( -0.000 -11.672 11.186) 16.167 22.732 ( 0.000 5.951 -3.748) 7.033 22.732 ( 0.000 5.951 3.748) 7.033 24.519 ( 0.000 4.577 -3.454) 5.734 24.519 ( 0.000 4.577 3.454) 5.734 25.338 ( -0.000 -2.579 -6.770) 7.244 25.338 ( -0.000 -2.579 6.770) 7.244 26.809 ( 0.000 5.608 -5.149) 7.614 26.809 ( 0.000 5.608 5.149) 7.614 28.926 ( -0.000 -0.245 -25.963) 25.964 28.926 ( -0.000 -0.245 25.963) 25.964 31.711 ( 0.000 3.856 -3.567) 5.253 31.711 ( 0.000 3.856 3.567) 5.253 ======================= Grid point 673 (197/216) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.187 ( 3.434 -0.000 -17.605) 17.936 5.187 ( 3.434 -0.000 17.605) 17.936 6.399 ( 26.718 -0.000 -32.386) 41.984 6.399 ( 26.718 -0.000 32.386) 41.984 7.870 ( 41.152 -0.000 -17.224) 44.611 7.870 ( 41.152 -0.000 17.224) 44.611 9.192 ( -1.476 0.000 -1.443) 2.065 9.192 ( -1.476 0.000 1.443) 2.065 10.756 ( -11.388 0.000 -42.488) 43.988 10.756 ( -11.388 0.000 42.488) 43.988 11.483 ( -3.141 0.000 -6.279) 7.020 11.483 ( -3.141 0.000 6.279) 7.020 11.858 ( 8.868 -0.000 -17.728) 19.823 11.858 ( 8.868 -0.000 17.728) 19.823 13.200 ( -9.625 0.000 -8.511) 12.849 13.200 ( -9.625 0.000 8.511) 12.849 14.006 ( -25.616 0.000 -5.774) 26.259 14.006 ( -25.616 0.000 5.774) 26.259 14.750 ( -3.296 0.000 -0.060) 3.297 14.750 ( -3.296 0.000 0.060) 3.297 16.714 ( 0.836 -0.000 -10.782) 10.814 16.714 ( 0.836 -0.000 10.782) 10.814 20.201 ( 5.204 -0.000 -1.117) 5.323 20.201 ( 5.204 -0.000 1.117) 5.323 22.442 ( -6.065 0.000 -4.877) 7.783 22.442 ( -6.065 0.000 4.877) 7.783 24.495 ( 2.932 -0.000 -0.082) 2.933 24.495 ( 2.932 -0.000 0.082) 2.933 25.281 ( -4.322 0.000 -2.560) 5.023 25.281 ( -4.322 0.000 2.560) 5.023 26.931 ( 6.610 -0.000 -1.157) 6.710 26.931 ( 6.610 -0.000 1.157) 6.710 28.432 ( -12.813 0.000 -11.104) 16.954 28.432 ( -12.813 0.000 11.104) 16.954 32.280 ( 21.675 -0.000 -17.426) 27.812 32.280 ( 21.675 -0.000 17.426) 27.812 ======================= Grid point 675 (198/216) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.348 ( 13.382 -8.247 -15.219) 21.879 5.348 ( 13.382 -8.247 15.219) 21.879 6.736 ( 29.521 -6.177 -30.485) 42.883 6.736 ( 29.521 -6.177 30.485) 42.883 8.314 ( 31.186 -8.044 -15.518) 35.751 8.314 ( 31.186 -8.044 15.518) 35.751 9.191 ( -2.018 -1.842 -9.219) 9.616 9.191 ( -2.018 -1.842 9.219) 9.616 10.587 ( -12.131 5.223 -34.365) 36.816 10.587 ( -12.131 5.223 34.365) 36.816 11.457 ( -2.275 0.310 -6.914) 7.285 11.457 ( -2.275 0.310 6.914) 7.285 11.974 ( 11.051 -2.755 -20.719) 23.642 11.974 ( 11.051 -2.755 20.719) 23.642 12.910 ( -13.169 17.894 -13.748) 26.127 12.910 ( -13.169 17.894 13.748) 26.127 13.762 ( -25.020 -0.249 -8.705) 26.492 13.762 ( -25.020 -0.249 8.705) 26.492 14.797 ( 0.206 -6.182 -3.843) 7.282 14.797 ( 0.206 -6.182 3.843) 7.282 16.733 ( -1.746 -2.870 -13.382) 13.798 16.733 ( -1.746 -2.870 13.382) 13.798 20.129 ( 1.146 12.597 -8.195) 15.072 20.129 ( 1.146 12.597 8.195) 15.072 22.477 ( -2.807 -9.370 -5.033) 11.000 22.477 ( -2.807 -9.370 5.033) 11.000 24.548 ( 3.273 -2.462 -2.582) 4.842 24.548 ( 3.273 -2.462 2.582) 4.842 25.230 ( -4.255 0.931 -3.260) 5.441 25.230 ( -4.255 0.931 3.260) 5.441 26.997 ( 2.812 -1.951 -4.347) 5.533 26.997 ( 2.812 -1.951 4.347) 5.533 28.358 ( -6.479 -2.534 -9.076) 11.435 28.358 ( -6.479 -2.534 9.076) 11.435 32.462 ( 18.775 2.361 -20.450) 27.861 32.462 ( 18.775 2.361 20.450) 27.861 ======================= Grid point 677 (199/216) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.693 ( 20.834 -11.022 -15.844) 28.400 5.693 ( 20.834 -11.022 15.844) 28.400 7.162 ( 29.291 -8.255 -26.710) 40.492 7.162 ( 29.291 -8.255 26.710) 40.492 8.688 ( 13.143 -8.764 -13.067) 20.501 8.688 ( 13.143 -8.764 13.067) 20.501 9.212 ( -3.211 -3.739 -18.341) 18.992 9.212 ( -3.211 -3.739 18.341) 18.992 10.387 ( -8.078 5.052 -27.151) 28.774 10.387 ( -8.078 5.052 27.151) 28.774 11.372 ( -8.255 5.826 -5.308) 11.413 11.372 ( -8.255 5.826 5.308) 11.413 12.160 ( 7.747 -2.590 -18.642) 20.353 12.160 ( 7.747 -2.590 18.642) 20.353 12.484 ( -3.281 13.362 -8.674) 16.265 12.484 ( -3.281 13.362 8.674) 16.265 13.527 ( -20.544 0.746 -7.651) 21.935 13.527 ( -20.544 0.746 7.651) 21.935 14.901 ( 1.988 -2.991 -0.557) 3.634 14.901 ( 1.988 -2.991 0.557) 3.634 16.790 ( -0.675 -5.580 -17.611) 18.486 16.790 ( -0.675 -5.580 17.611) 18.486 19.818 ( -6.690 18.758 -13.876) 24.272 19.818 ( -6.690 18.758 13.876) 24.272 22.676 ( 1.852 -12.757 -4.323) 13.597 22.676 ( 1.852 -12.757 4.323) 13.597 24.642 ( 3.518 -4.524 -5.312) 7.814 24.642 ( 3.518 -4.524 5.312) 7.814 25.168 ( -3.764 1.604 -4.617) 6.169 25.168 ( -3.764 1.604 4.617) 6.169 27.049 ( -1.262 -3.212 -6.391) 7.263 27.049 ( -1.262 -3.212 6.391) 7.263 28.385 ( -0.725 -4.333 -7.368) 8.578 28.385 ( -0.725 -4.333 7.368) 8.578 32.559 ( 14.073 5.299 -20.863) 25.718 32.559 ( 14.073 5.299 20.863) 25.718 ======================= Grid point 679 (200/216) ======================= q-point: ( 0.45 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.100 ( 24.887 -9.097 -15.829) 30.866 6.100 ( 24.887 -9.097 15.829) 30.866 7.523 ( 25.427 0.074 -19.219) 31.873 7.523 ( 25.427 0.074 19.219) 31.873 8.879 ( -2.796 -8.741 -9.654) 13.320 8.879 ( -2.796 -8.741 9.654) 13.320 9.278 ( -2.984 -8.390 -28.443) 29.804 9.278 ( -2.984 -8.390 28.443) 29.804 10.278 ( -2.784 1.702 -22.894) 23.125 10.278 ( -2.784 1.702 22.894) 23.125 11.034 ( -24.274 14.218 -11.450) 30.372 11.034 ( -24.274 14.218 11.450) 30.372 12.043 ( 3.006 9.221 -11.243) 14.848 12.043 ( 3.006 9.221 11.243) 14.848 12.606 ( 10.032 -8.769 -16.258) 21.021 12.606 ( 10.032 -8.769 16.258) 21.021 13.364 ( -11.469 -0.963 -4.916) 12.515 13.364 ( -11.469 -0.963 4.916) 12.515 14.909 ( 2.077 4.356 -5.931) 7.647 14.909 ( 2.077 4.356 5.931) 7.647 16.928 ( 7.562 -6.960 -20.754) 23.159 16.928 ( 7.562 -6.960 20.754) 23.159 19.410 ( -14.834 15.013 -16.208) 26.611 19.410 ( -14.834 15.013 16.208) 26.611 22.904 ( 4.105 -9.389 -3.541) 10.842 22.904 ( 4.105 -9.389 3.541) 10.842 24.767 ( 3.703 -5.620 -7.639) 10.181 24.767 ( 3.703 -5.620 7.639) 10.181 25.101 ( -3.245 2.240 -5.354) 6.649 25.101 ( -3.245 2.240 5.354) 6.649 27.084 ( -3.699 -3.701 -5.946) 7.920 27.084 ( -3.699 -3.701 5.946) 7.920 28.477 ( 2.537 -4.973 -5.625) 7.925 28.477 ( 2.537 -4.973 5.625) 7.925 32.558 ( 8.800 7.888 -19.517) 22.816 32.558 ( 8.800 7.888 19.517) 22.816 ======================= Grid point 681 (201/216) ======================= q-point: ( 0.55 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.461 ( 24.525 -3.212 -14.235) 28.538 6.461 ( 24.525 -3.212 14.235) 28.538 7.632 ( 18.672 10.772 -12.455) 24.897 7.632 ( 18.672 10.772 12.455) 24.897 8.940 ( -9.051 -3.450 -12.707) 15.978 8.940 ( -9.051 -3.450 12.707) 15.978 9.447 ( -2.481 -12.794 -34.913) 37.266 9.447 ( -2.481 -12.794 34.913) 37.266 10.219 ( -10.950 2.987 -16.574) 20.088 10.219 ( -10.950 2.987 16.574) 20.088 10.564 ( -18.595 5.672 -12.177) 22.940 10.564 ( -18.595 5.672 12.177) 22.940 12.026 ( 11.107 1.634 -10.502) 15.373 12.026 ( 11.107 1.634 10.502) 15.373 12.758 ( -5.336 -6.342 -12.485) 14.986 12.758 ( -5.336 -6.342 12.485) 14.986 13.306 ( -2.302 3.195 -3.595) 5.332 13.306 ( -2.302 3.195 3.595) 5.332 14.826 ( 2.666 6.329 -9.176) 11.461 14.826 ( 2.666 6.329 9.176) 11.461 17.185 ( 21.572 -5.930 -20.848) 30.581 17.185 ( 21.572 -5.930 20.848) 30.581 19.047 ( -22.871 4.698 -16.548) 28.619 19.047 ( -22.871 4.698 16.548) 28.619 23.059 ( 4.092 -3.774 -3.165) 6.404 23.059 ( 4.092 -3.774 3.165) 6.404 24.892 ( 3.186 -3.825 -7.172) 8.730 24.892 ( 3.186 -3.825 7.172) 8.730 25.034 ( -2.405 1.422 -3.960) 4.846 25.034 ( -2.405 1.422 3.960) 4.846 27.103 ( -4.379 -3.089 -3.697) 6.510 27.103 ( -4.379 -3.089 3.697) 6.510 28.595 ( 3.842 -4.793 -7.270) 9.518 28.595 ( 3.842 -4.793 7.270) 9.518 32.467 ( 3.739 9.713 -17.251) 20.148 32.467 ( 3.739 9.713 17.251) 20.148 ======================= Grid point 683 (202/216) ======================= q-point: (-0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.643 ( 18.414 7.395 -14.167) 24.382 6.643 ( 18.414 7.395 14.167) 24.382 7.606 ( 18.903 13.006 -10.496) 25.232 7.606 ( 18.903 13.006 10.496) 25.232 8.752 ( -23.007 7.328 -14.006) 27.914 8.752 ( -23.007 7.328 14.006) 27.914 9.592 ( -0.720 -5.545 -38.470) 38.874 9.592 ( -0.720 -5.545 38.470) 38.874 9.937 ( -18.411 3.225 -25.435) 31.564 9.937 ( -18.411 3.225 25.435) 31.564 10.629 ( 0.826 -14.719 -13.271) 19.836 10.629 ( 0.826 -14.719 13.271) 19.836 12.173 ( 15.247 -1.914 -8.199) 17.417 12.173 ( 15.247 -1.914 8.199) 17.417 12.782 ( -8.693 -5.498 -9.065) 13.710 12.782 ( -8.693 -5.498 9.065) 13.710 13.121 ( -7.498 10.891 -7.397) 15.151 13.121 ( -7.498 10.891 7.397) 15.151 14.788 ( 3.266 1.372 -9.345) 9.994 14.788 ( 3.266 1.372 9.345) 9.994 17.509 ( 31.200 1.184 -19.119) 36.611 17.509 ( 31.200 1.184 19.119) 36.611 18.831 ( -27.317 -9.864 -18.256) 34.305 18.831 ( -27.317 -9.864 18.256) 34.305 23.113 ( 2.864 1.418 -3.205) 4.526 23.113 ( 2.864 1.418 3.205) 4.526 24.892 ( -0.720 4.046 -5.790) 7.101 24.892 ( -0.720 4.046 5.790) 7.101 25.067 ( 1.427 -4.599 -11.230) 12.219 25.067 ( 1.427 -4.599 11.230) 12.219 27.100 ( -3.817 -1.219 -0.919) 4.111 27.100 ( -3.817 -1.219 0.919) 4.111 28.712 ( 4.109 -4.222 -12.161) 13.513 28.712 ( 4.109 -4.222 12.161) 13.513 32.306 ( -0.311 10.617 -14.646) 18.092 32.306 ( -0.311 10.617 14.646) 18.092 ======================= Grid point 685 (203/216) ======================= q-point: (-0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.595 ( 10.967 13.472 -14.996) 22.949 6.595 ( 10.967 13.472 14.996) 22.949 7.462 ( 11.673 25.524 -25.199) 37.719 7.462 ( 11.673 25.524 25.199) 37.719 8.355 ( -22.697 7.654 -9.209) 25.662 8.355 ( -22.697 7.654 9.209) 25.662 9.622 ( 2.059 4.447 -40.594) 40.889 9.622 ( 2.059 4.447 40.594) 40.889 9.863 ( -8.272 -11.387 -22.923) 26.899 9.863 ( -8.272 -11.387 22.923) 26.899 10.918 ( 1.596 -15.511 -8.112) 17.577 10.918 ( 1.596 -15.511 8.112) 17.577 12.233 ( 5.104 13.109 -15.078) 20.621 12.233 ( 5.104 13.109 15.078) 20.621 12.705 ( 5.719 9.001 -11.628) 15.778 12.705 ( 5.719 9.001 11.628) 15.778 13.094 ( -11.758 -23.817 -13.058) 29.598 13.094 ( -11.758 -23.817 13.058) 29.598 14.816 ( 1.533 -0.980 -9.362) 9.538 14.816 ( 1.533 -0.980 9.362) 9.538 17.646 ( 18.437 13.033 -20.347) 30.394 17.646 ( 18.437 13.033 20.347) 30.394 18.907 ( -14.552 -23.077 -22.162) 35.149 18.907 ( -14.552 -23.077 22.162) 35.149 23.074 ( 1.281 5.175 -3.521) 6.389 23.074 ( 1.281 5.175 3.521) 6.389 24.800 ( -0.765 5.312 -5.903) 7.978 24.800 ( -0.765 5.312 5.903) 7.978 25.159 ( 1.184 -4.203 -12.250) 13.006 25.159 ( 1.184 -4.203 12.250) 13.006 27.067 ( -2.336 1.586 -2.544) 3.801 27.067 ( -2.336 1.586 2.544) 3.801 28.816 ( 3.244 -3.489 -17.592) 18.226 28.816 ( 3.244 -3.489 17.592) 18.226 32.109 ( -2.121 10.431 -11.979) 16.025 32.109 ( -2.121 10.431 11.979) 16.025 ======================= Grid point 687 (204/216) ======================= q-point: (-0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.424 ( 0.000 13.272 -13.981) 19.278 6.424 ( 0.000 13.272 13.981) 19.278 6.983 ( 0.000 31.615 -35.947) 47.872 6.983 ( 0.000 31.615 35.947) 47.872 8.050 ( 0.000 17.728 -7.068) 19.085 8.050 ( 0.000 17.728 7.068) 19.085 9.518 ( 0.000 7.264 -35.029) 35.774 9.518 ( 0.000 7.264 35.029) 35.774 10.109 ( -0.000 -19.325 -18.891) 27.024 10.109 ( -0.000 -19.325 18.891) 27.024 11.168 ( -0.000 -12.301 -5.002) 13.279 11.168 ( -0.000 -12.301 5.002) 13.279 11.921 ( 0.000 18.650 -15.852) 24.477 11.921 ( 0.000 18.650 15.852) 24.477 12.700 ( -0.000 -2.631 -11.118) 11.425 12.700 ( -0.000 -2.631 11.118) 11.425 13.548 ( -0.000 -31.514 -15.396) 35.073 13.548 ( -0.000 -31.514 15.396) 35.073 14.835 ( -0.000 -0.186 -9.729) 9.731 14.835 ( -0.000 -0.186 9.729) 9.731 17.465 ( 0.000 16.322 -20.641) 26.314 17.465 ( 0.000 16.322 20.641) 26.314 19.253 ( -0.000 -22.408 -20.200) 30.169 19.253 ( -0.000 -22.408 20.200) 30.169 22.972 ( 0.000 7.071 -3.813) 8.034 22.972 ( 0.000 7.071 3.813) 8.034 24.702 ( 0.000 5.588 -5.375) 7.753 24.702 ( 0.000 5.588 5.375) 7.753 25.232 ( -0.000 -3.552 -11.246) 11.793 25.232 ( -0.000 -3.552 11.246) 11.793 27.003 ( 0.000 4.376 -4.782) 6.482 27.003 ( 0.000 4.376 4.782) 6.482 28.886 ( -0.000 -2.393 -21.857) 21.988 28.886 ( -0.000 -2.393 21.857) 21.988 31.927 ( 0.000 8.806 -9.043) 12.622 31.927 ( 0.000 8.806 9.043) 12.622 ======================= Grid point 697 (205/216) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.453 ( 22.371 -0.000 -9.383) 24.259 5.453 ( 22.371 -0.000 9.383) 24.259 6.992 ( 31.437 -0.000 -28.726) 42.585 6.992 ( 31.437 -0.000 28.726) 42.585 8.537 ( 25.436 -0.000 -11.833) 28.053 8.537 ( 25.436 -0.000 11.833) 28.053 9.157 ( -1.974 0.000 -0.416) 2.018 9.157 ( -1.974 0.000 0.416) 2.018 10.515 ( -11.569 0.000 -31.286) 33.356 10.515 ( -11.569 0.000 31.286) 33.356 11.415 ( -4.835 0.000 -4.417) 6.549 11.415 ( -4.835 0.000 4.417) 6.549 12.048 ( 8.411 -0.000 -22.446) 23.970 12.048 ( 8.411 -0.000 22.446) 23.970 12.929 ( -17.093 0.000 -11.526) 20.616 12.929 ( -17.093 0.000 11.526) 20.616 13.529 ( -19.624 0.000 -0.976) 19.648 13.529 ( -19.624 0.000 0.976) 19.648 14.752 ( 4.185 -0.000 -6.096) 7.394 14.752 ( 4.185 -0.000 6.096) 7.394 16.663 ( -6.580 0.000 -14.380) 15.814 16.663 ( -6.580 0.000 14.380) 15.814 20.281 ( 2.637 -0.000 -1.997) 3.308 20.281 ( 2.637 -0.000 1.997) 3.308 22.348 ( -3.180 0.000 -6.647) 7.369 22.348 ( -3.180 0.000 6.647) 7.369 24.560 ( 3.503 -0.000 -1.435) 3.785 24.560 ( 3.503 -0.000 1.435) 3.785 25.195 ( -4.239 0.000 -1.956) 4.669 25.195 ( -4.239 0.000 1.956) 4.669 26.989 ( -0.962 0.000 -6.376) 6.448 26.989 ( -0.962 0.000 6.376) 6.448 28.304 ( -0.143 0.000 -9.072) 9.073 28.304 ( -0.143 0.000 9.072) 9.073 32.660 ( 16.302 -0.000 -24.100) 29.096 32.660 ( 16.302 -0.000 24.100) 29.096 ======================= Grid point 699 (206/216) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.774 ( 28.193 -7.318 -9.794) 30.730 5.774 ( 28.193 -7.318 9.794) 30.730 7.338 ( 28.497 -5.813 -26.595) 39.410 7.338 ( 28.497 -5.813 26.595) 39.410 8.743 ( 12.900 0.225 -7.170) 14.760 8.743 ( 12.900 0.225 7.170) 14.760 9.148 ( -1.495 -1.056 -9.009) 9.193 9.148 ( -1.495 -1.056 9.009) 9.193 10.385 ( -7.212 3.184 -29.275) 30.317 10.385 ( -7.212 3.184 29.275) 30.317 11.326 ( -14.009 2.473 -5.374) 15.207 11.326 ( -14.009 2.473 5.374) 15.207 12.147 ( 3.073 -4.597 -16.662) 17.556 12.147 ( 3.073 -4.597 16.662) 17.556 12.673 ( -5.889 10.964 -8.200) 14.905 12.673 ( -5.889 10.964 8.200) 14.905 13.354 ( -15.244 0.851 -7.365) 16.952 13.354 ( -15.244 0.851 7.365) 16.952 14.868 ( 7.640 -4.785 -4.805) 10.216 14.868 ( 7.640 -4.785 4.805) 10.216 16.634 ( -8.590 -6.395 -18.792) 21.629 16.634 ( -8.590 -6.395 18.792) 21.629 20.121 ( -1.595 18.772 -9.242) 20.985 20.121 ( -1.595 18.772 9.242) 20.985 22.451 ( 0.031 -12.974 -6.969) 14.728 22.451 ( 0.031 -12.974 6.969) 14.728 24.616 ( 3.471 -2.456 -3.698) 5.635 24.616 ( 3.471 -2.456 3.698) 5.635 25.150 ( -3.718 0.632 -2.681) 4.627 25.150 ( -3.718 0.632 2.681) 4.627 26.981 ( -3.527 -1.738 -8.817) 9.654 26.981 ( -3.527 -1.738 8.817) 9.654 28.344 ( 3.774 -2.185 -8.995) 9.997 28.344 ( 3.774 -2.185 8.995) 9.997 32.772 ( 12.392 3.632 -25.160) 28.280 32.772 ( 12.392 3.632 25.160) 28.280 ======================= Grid point 701 (207/216) ======================= q-point: ( 0.45 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.212 ( 29.628 -9.019 -13.726) 33.876 6.212 ( 29.628 -9.019 13.726) 33.876 7.741 ( 25.611 -8.793 -23.204) 35.661 7.741 ( 25.611 -8.793 23.204) 35.661 8.748 ( -4.352 2.787 -7.530) 9.133 8.748 ( -4.352 2.787 7.531) 9.133 9.184 ( 2.797 -2.721 -18.283) 18.695 9.184 ( 2.797 -2.721 18.283) 18.695 10.288 ( -2.909 2.504 -29.595) 29.843 10.288 ( -2.909 2.504 29.595) 29.843 10.985 ( -29.885 11.252 -13.314) 34.598 10.985 ( -29.885 11.252 13.314) 34.598 12.189 ( 1.456 2.803 -8.836) 9.384 12.189 ( 1.456 2.803 8.836) 9.384 12.590 ( 4.663 -0.389 -19.142) 19.705 12.590 ( 4.663 -0.389 19.142) 19.705 13.242 ( -6.442 -2.345 -5.776) 8.964 13.242 ( -6.442 -2.345 5.776) 8.964 14.992 ( 7.210 0.547 -3.032) 7.840 14.992 ( 7.210 0.547 3.032) 7.840 16.753 ( -3.293 -15.216 -24.584) 29.099 16.753 ( -3.293 -15.216 24.584) 29.099 19.666 ( -7.781 26.739 -14.738) 31.508 19.666 ( -7.781 26.739 14.738) 31.508 22.725 ( 2.683 -15.222 -6.185) 16.648 22.725 ( 2.683 -15.222 6.185) 16.648 24.711 ( 3.299 -4.683 -6.601) 8.740 24.711 ( 3.299 -4.683 6.601) 8.740 25.100 ( -3.036 1.329 -4.077) 5.255 25.100 ( -3.036 1.329 4.077) 5.255 26.984 ( -4.231 -3.070 -9.218) 10.597 26.984 ( -4.231 -3.070 9.218) 10.597 28.438 ( 4.591 -3.589 -7.556) 9.542 28.438 ( 4.591 -3.589 7.556) 9.542 32.778 ( 8.097 7.340 -24.335) 26.677 32.778 ( 8.097 7.340 24.335) 26.677 ======================= Grid point 703 (208/216) ======================= q-point: ( 0.55 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.620 ( 24.659 -6.166 -16.336) 30.216 6.620 ( 24.659 -6.166 16.336) 30.216 8.043 ( 24.944 6.220 -14.209) 29.373 8.043 ( 24.944 6.220 14.209) 29.373 8.685 ( -13.732 -8.788 -15.911) 22.781 8.685 ( -13.732 -8.788 15.911) 22.781 9.292 ( 5.875 -5.051 -27.595) 28.662 9.292 ( 5.875 -5.051 27.595) 28.662 10.163 ( -17.166 6.704 -18.202) 25.902 10.163 ( -17.166 6.704 18.202) 25.902 10.502 ( -18.700 7.708 -18.425) 27.361 10.502 ( -18.700 7.708 18.425) 27.361 12.171 ( 9.057 3.651 -10.114) 14.060 12.171 ( 9.057 3.651 10.114) 14.060 12.603 ( -9.052 -2.538 -14.667) 17.421 12.603 ( -9.052 -2.538 14.667) 17.421 13.313 ( 3.717 -4.125 -3.167) 6.392 13.313 ( 3.717 -4.125 3.167) 6.392 14.975 ( 3.942 7.090 -8.235) 11.559 14.975 ( 3.942 7.090 8.235) 11.559 17.104 ( 8.857 -22.087 -27.593) 36.437 17.104 ( 8.857 -22.087 27.593) 36.437 19.106 ( -13.955 24.687 -17.330) 33.235 19.106 ( -13.955 24.687 17.330) 33.235 22.978 ( 2.980 -10.183 -4.994) 11.726 22.978 ( 2.980 -10.183 4.994) 11.726 24.836 ( 3.018 -5.885 -9.011) 11.177 24.836 ( 3.018 -5.885 9.011) 11.177 25.043 ( -2.504 2.180 -4.778) 5.818 25.043 ( -2.504 2.180 4.778) 5.818 27.003 ( -3.590 -3.612 -7.532) 9.092 27.003 ( -3.590 -3.612 7.532) 9.092 28.550 ( 3.630 -4.491 -6.605) 8.774 28.550 ( 3.630 -4.491 6.605) 8.774 32.684 ( 4.097 10.357 -22.353) 24.975 32.684 ( 4.097 10.357 22.353) 24.975 ======================= Grid point 705 (209/216) ======================= q-point: ( 0.64 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.863 ( 12.440 0.498 -16.095) 20.348 6.863 ( 12.440 0.498 16.095) 20.348 8.081 ( 26.375 13.435 -12.513) 32.135 8.081 ( 26.375 13.435 12.513) 32.135 8.622 ( -22.765 3.150 -18.362) 29.416 8.622 ( -22.765 3.150 18.362) 29.416 9.478 ( 6.597 -7.940 -34.433) 35.947 9.478 ( 6.597 -7.940 34.433) 35.947 9.795 ( -22.027 2.638 -28.561) 36.165 9.795 ( -22.027 2.638 28.561) 36.165 10.443 ( -0.296 -6.266 -22.321) 23.186 10.443 ( -0.296 -6.266 22.321) 23.186 12.268 ( 13.152 -2.486 -10.875) 17.246 12.268 ( 13.152 -2.486 10.875) 17.246 12.540 ( -13.779 -4.346 -10.715) 17.988 12.540 ( -13.779 -4.346 10.715) 17.988 13.320 ( 1.293 8.543 -4.592) 9.785 13.320 ( 1.293 8.543 4.592) 9.785 14.876 ( 1.719 6.142 -10.118) 11.960 14.876 ( 1.719 6.142 10.118) 11.960 17.654 ( 21.539 -23.129 -26.119) 41.001 17.654 ( 21.539 -23.129 26.119) 41.001 18.570 ( -21.502 16.872 -18.149) 32.808 18.570 ( -21.502 16.872 18.149) 32.808 23.121 ( 1.756 -3.668 -3.900) 5.635 23.121 ( 1.756 -3.668 3.900) 5.635 24.945 ( 2.094 0.037 -3.422) 4.012 24.945 ( 2.094 0.037 3.422) 4.012 24.993 ( -1.704 -2.546 -6.314) 7.018 24.993 ( -1.704 -2.546 6.314) 7.018 27.033 ( -2.078 -2.986 -4.528) 5.808 27.033 ( -2.078 -2.986 4.528) 5.808 28.660 ( 2.047 -5.011 -9.439) 10.881 28.660 ( 2.047 -5.011 9.439) 10.881 32.513 ( 1.065 12.201 -19.654) 23.158 32.513 ( 1.065 12.201 19.654) 23.158 ======================= Grid point 707 (210/216) ======================= q-point: (-0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.839 ( 0.000 8.569 -14.839) 17.136 6.839 ( 0.000 8.569 14.839) 17.136 8.062 ( 0.000 27.756 -29.801) 40.724 8.062 ( 0.000 27.756 29.801) 40.724 8.238 ( 0.000 0.326 -17.336) 17.339 8.238 ( 0.000 0.326 17.336) 17.339 9.637 ( -0.000 -7.673 -29.437) 30.420 9.637 ( -0.000 -7.673 29.437) 30.420 9.699 ( 0.000 0.434 -44.260) 44.262 9.699 ( 0.000 0.434 44.260) 44.262 10.645 ( -0.000 -15.791 -14.526) 21.456 10.645 ( -0.000 -15.791 14.526) 21.456 12.402 ( 0.000 2.678 -10.115) 10.463 12.402 ( 0.000 2.678 10.115) 10.463 12.610 ( -0.000 -18.989 -16.180) 24.948 12.610 ( -0.000 -18.989 16.180) 24.948 13.051 ( 0.000 20.821 -9.636) 22.943 13.051 ( 0.000 20.821 9.636) 22.943 14.823 ( 0.000 1.262 -9.771) 9.852 14.823 ( 0.000 1.262 9.771) 9.852 18.054 ( 0.000 19.810 -20.819) 28.738 18.054 ( 0.000 19.810 20.819) 28.738 18.330 ( -0.000 -30.706 -27.099) 40.954 18.330 ( -0.000 -30.706 27.099) 40.954 23.144 ( 0.000 1.730 -3.396) 3.811 23.144 ( 0.000 1.730 3.396) 3.811 24.884 ( 0.000 4.771 -5.997) 7.663 24.884 ( 0.000 4.771 5.997) 7.663 25.083 ( -0.000 -5.323 -12.756) 13.822 25.083 ( -0.000 -5.323 12.756) 13.822 27.059 ( -0.000 -1.100 -1.183) 1.615 27.059 ( -0.000 -1.100 1.183) 1.615 28.757 ( -0.000 -4.863 -14.097) 14.912 28.757 ( -0.000 -4.863 14.097) 14.912 32.302 ( 0.000 12.407 -16.311) 20.493 32.302 ( 0.000 12.407 16.311) 20.493 ======================= Grid point 721 (211/216) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.010 ( 32.386 -0.000 -5.981) 32.934 6.010 ( 32.386 -0.000 5.981) 32.934 7.499 ( 14.790 -0.000 -23.626) 27.874 7.499 ( 14.790 -0.000 23.626) 27.874 8.890 ( 10.754 -0.000 -1.883) 10.917 8.890 ( 10.753 -0.000 1.883) 10.917 9.159 ( 6.975 -0.000 -0.227) 6.979 9.159 ( 6.975 -0.000 0.227) 6.979 10.351 ( -4.883 0.000 -29.359) 29.762 10.351 ( -4.883 0.000 29.359) 29.762 11.178 ( -22.781 0.000 -8.418) 24.287 11.178 ( -22.781 0.000 8.418) 24.287 12.094 ( -2.514 0.000 -10.233) 10.537 12.094 ( -2.514 0.000 10.233) 10.537 12.725 ( -0.399 0.000 -3.990) 4.010 12.725 ( -0.399 0.000 3.990) 4.010 13.246 ( -10.406 0.000 -2.970) 10.822 13.246 ( -10.406 0.000 2.970) 10.822 14.929 ( 13.543 -0.000 -6.835) 15.170 14.929 ( 13.543 -0.000 6.835) 15.170 16.451 ( -14.453 0.000 -22.296) 26.571 16.451 ( -14.453 0.000 22.296) 26.571 20.308 ( 0.450 -0.000 -1.998) 2.048 20.308 ( 0.450 -0.000 1.998) 2.048 22.314 ( -0.538 0.000 -8.305) 8.322 22.314 ( -0.538 0.000 8.305) 8.322 24.627 ( 3.076 -0.000 -3.103) 4.369 24.627 ( 3.076 -0.000 3.103) 4.369 25.120 ( -3.171 0.000 -1.225) 3.399 25.120 ( -3.171 0.000 1.225) 3.399 26.927 ( -4.109 0.000 -11.186) 11.917 26.927 ( -4.109 0.000 11.186) 11.917 28.374 ( 5.490 -0.000 -10.365) 11.729 28.374 ( 5.490 -0.000 10.365) 11.729 32.913 ( 9.344 -0.000 -27.052) 28.621 32.913 ( 9.344 -0.000 27.052) 28.621 ======================= Grid point 723 (212/216) ======================= q-point: ( 0.45 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.385 ( 31.339 -5.512 -10.764) 33.591 6.385 ( 31.339 -5.512 10.764) 33.591 7.663 ( 0.261 -11.747 -24.515) 27.185 7.663 ( 0.260 -11.747 24.515) 27.185 8.892 ( 3.596 7.352 -10.282) 13.142 8.892 ( 3.596 7.352 10.282) 13.142 9.276 ( 19.482 3.056 -7.070) 20.949 9.276 ( 19.482 3.056 7.070) 20.949 10.296 ( -3.698 1.867 -30.751) 31.028 10.296 ( -3.698 1.867 30.751) 31.028 10.835 ( -33.040 7.135 -13.711) 36.477 10.835 ( -33.040 7.135 13.711) 36.477 12.146 ( 0.651 -6.484 -7.200) 9.712 12.146 ( 0.651 -6.484 7.200) 9.712 12.689 ( 2.179 6.009 -14.691) 16.021 12.689 ( 2.179 6.009 14.691) 16.021 13.160 ( -4.756 -1.105 -5.211) 7.140 13.160 ( -4.756 -1.105 5.211) 7.140 15.089 ( 13.239 -0.596 -2.710) 13.526 15.089 ( 13.239 -0.596 2.710) 13.526 16.411 ( -12.655 -12.814 -28.863) 34.021 16.411 ( -12.655 -12.814 28.863) 34.021 20.084 ( -1.711 23.761 -9.713) 25.726 20.084 ( -1.711 23.761 9.713) 25.726 22.464 ( 0.861 -15.299 -8.466) 17.506 22.464 ( 0.861 -15.299 8.466) 17.506 24.676 ( 2.418 -2.577 -4.999) 6.122 24.676 ( 2.418 -2.577 4.999) 6.122 25.089 ( -2.302 0.536 -2.434) 3.393 25.089 ( -2.302 0.536 2.434) 3.393 26.904 ( -3.385 -1.660 -12.032) 12.609 26.904 ( -3.385 -1.660 12.032) 12.609 28.440 ( 4.572 -1.633 -9.998) 11.114 28.440 ( 4.572 -1.633 9.998) 11.114 32.951 ( 5.867 4.333 -27.043) 28.009 32.951 ( 5.867 4.333 27.043) 28.009 ======================= Grid point 725 (213/216) ======================= q-point: ( 0.55 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.742 ( 19.320 -4.962 -18.730) 27.363 6.742 ( 19.320 -4.962 18.730) 27.363 7.946 ( -3.767 -23.522 -29.200) 37.684 7.946 ( -3.767 -23.522 29.200) 37.684 8.741 ( 3.944 13.689 -14.381) 20.242 8.741 ( 3.944 13.689 14.381) 20.242 9.414 ( 21.738 4.490 -15.522) 27.086 9.414 ( 21.738 4.490 15.522) 27.086 10.103 ( -24.377 9.881 -15.819) 30.694 10.103 ( -24.377 9.881 15.819) 30.694 10.452 ( -11.575 4.030 -21.267) 24.546 10.452 ( -11.575 4.030 21.267) 24.546 12.272 ( 5.259 -3.747 -6.895) 9.446 12.272 ( 5.259 -3.747 6.895) 9.446 12.547 ( -5.572 7.325 -18.373) 20.549 12.547 ( -5.572 7.325 18.373) 20.549 13.235 ( 1.988 -7.577 -3.954) 8.775 13.235 ( 1.988 -7.577 3.954) 8.775 15.138 ( 5.393 6.033 -6.281) 10.244 15.138 ( 5.393 6.033 6.281) 10.244 16.681 ( -2.850 -26.852 -33.826) 43.283 16.681 ( -2.850 -26.852 33.826) 43.283 19.549 ( -3.358 33.175 -15.300) 36.687 19.549 ( -3.358 33.175 15.300) 36.687 22.766 ( 1.180 -16.495 -7.365) 18.103 22.766 ( 1.180 -16.495 7.365) 18.103 24.762 ( 1.500 -4.999 -7.776) 9.365 24.762 ( 1.500 -4.999 7.776) 9.365 25.055 ( -1.314 1.400 -4.252) 4.665 25.055 ( -1.314 1.401 4.252) 4.665 26.918 ( -1.916 -2.955 -10.952) 11.504 26.918 ( -1.916 -2.955 10.952) 11.504 28.515 ( 2.353 -2.997 -7.962) 8.827 28.515 ( 2.353 -2.997 7.962) 8.827 32.882 ( 2.570 8.333 -25.670) 27.110 32.882 ( 2.570 8.333 25.670) 27.110 ======================= Grid point 727 (214/216) ======================= q-point: ( 0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.905 ( -0.000 -3.083 -19.573) 19.815 6.905 ( -0.000 -3.083 19.573) 19.815 8.335 ( -0.000 -18.895 -27.787) 33.602 8.335 ( -0.000 -18.895 27.787) 33.602 8.509 ( 0.000 15.031 -17.059) 22.736 8.509 ( 0.000 15.031 17.059) 22.736 9.521 ( 0.000 0.877 -24.213) 24.229 9.521 ( 0.000 0.877 24.213) 24.229 9.697 ( 0.000 9.806 -19.687) 21.994 9.697 ( 0.000 9.806 19.687) 21.994 10.393 ( -0.000 -0.210 -27.303) 27.304 10.393 ( -0.000 -0.210 27.303) 27.304 12.375 ( 0.000 4.361 -20.179) 20.645 12.375 ( 0.000 4.361 20.179) 20.645 12.385 ( -0.000 -2.944 -6.003) 6.686 12.385 ( -0.000 -2.944 6.003) 6.686 13.365 ( -0.000 -3.926 -2.467) 4.637 13.365 ( -0.000 -3.926 2.467) 4.637 15.022 ( 0.000 8.957 -9.362) 12.957 15.022 ( 0.000 8.957 9.362) 12.957 17.207 ( -0.000 -33.090 -32.948) 46.696 17.207 ( -0.000 -33.090 32.948) 46.696 18.950 ( 0.000 32.391 -18.485) 37.295 18.950 ( 0.000 32.391 18.485) 37.295 23.009 ( -0.000 -10.509 -5.586) 11.902 23.009 ( -0.000 -10.509 5.586) 11.902 24.870 ( -0.000 -6.457 -10.356) 12.204 24.870 ( -0.000 -6.457 10.356) 12.204 25.014 ( 0.000 2.628 -5.458) 6.058 25.014 ( 0.000 2.628 5.458) 6.058 26.965 ( -0.000 -3.528 -8.237) 8.960 26.965 ( -0.000 -3.528 8.237) 8.960 28.589 ( -0.000 -4.278 -6.964) 8.173 28.589 ( -0.000 -4.278 6.964) 8.173 32.724 ( 0.000 11.202 -23.223) 25.783 32.724 ( 0.000 11.202 23.223) 25.783 ======================= Grid point 747 (215/216) ======================= q-point: ( 0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.632 ( 26.065 -0.000 -14.317) 29.738 6.632 ( 26.065 -0.000 14.317) 29.738 7.474 ( -12.533 0.000 -29.470) 32.025 7.474 ( -12.533 0.000 29.470) 32.025 8.961 ( 0.321 -0.000 -2.924) 2.942 8.961 ( 0.321 -0.000 2.924) 2.942 9.607 ( 33.172 -0.000 -8.076) 34.140 9.607 ( 33.172 -0.000 8.076) 34.140 10.259 ( -10.074 0.000 -26.282) 28.147 10.259 ( -10.074 0.000 26.282) 28.147 10.580 ( -27.923 0.000 -10.182) 29.721 10.580 ( -27.923 0.000 10.182) 29.721 12.081 ( 0.846 -0.000 -5.779) 5.841 12.081 ( 0.846 -0.000 5.779) 5.841 12.775 ( 2.184 -0.000 -11.528) 11.733 12.775 ( 2.184 -0.000 11.528) 11.733 13.103 ( -3.792 0.000 -5.144) 6.391 13.103 ( -3.792 0.000 5.144) 6.391 15.224 ( 12.579 -0.000 -0.382) 12.585 15.224 ( 12.579 -0.000 0.382) 12.585 16.153 ( -12.370 0.000 -34.463) 36.615 16.153 ( -12.370 0.000 34.463) 36.615 20.310 ( -0.099 0.000 -1.615) 1.618 20.310 ( -0.099 0.000 1.615) 1.618 22.313 ( 0.138 -0.000 -9.195) 9.196 22.313 ( 0.138 -0.000 9.195) 9.196 24.672 ( 1.283 -0.000 -4.338) 4.524 24.672 ( 1.283 -0.000 4.338) 4.524 25.076 ( -1.220 0.000 -0.608) 1.363 25.076 ( -1.220 0.000 0.608) 1.363 26.863 ( -1.833 0.000 -13.435) 13.560 26.863 ( -1.833 0.000 13.435) 13.560 28.464 ( 2.692 -0.000 -11.298) 11.614 28.464 ( 2.692 -0.000 11.298) 11.614 33.033 ( 2.970 -0.000 -27.985) 28.142 33.033 ( 2.970 -0.000 27.985) 28.142 ======================= Grid point 749 (216/216) ======================= q-point: ( 0.55 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.798 ( -0.000 -1.910 -22.642) 22.723 6.798 ( -0.000 -1.910 22.642) 22.723 7.536 ( -0.000 -16.493 -36.954) 40.467 7.536 ( -0.000 -16.493 36.954) 40.467 8.921 ( 0.000 5.273 -9.885) 11.203 8.921 ( 0.000 5.273 9.885) 11.203 9.756 ( 0.000 10.273 -13.289) 16.797 9.756 ( 0.000 10.273 13.290) 16.797 10.066 ( 0.000 6.303 -12.383) 13.894 10.066 ( 0.000 6.303 12.383) 13.894 10.431 ( 0.000 1.353 -16.514) 16.570 10.431 ( 0.000 1.353 16.514) 16.570 12.167 ( -0.000 -8.011 -6.823) 10.523 12.167 ( -0.000 -8.011 6.823) 10.523 12.698 ( 0.000 9.338 -14.646) 17.370 12.698 ( 0.000 9.338 14.646) 17.370 13.127 ( -0.000 -4.941 -5.438) 7.347 13.127 ( -0.000 -4.941 5.438) 7.347 15.260 ( 0.000 3.733 -4.429) 5.793 15.260 ( 0.000 3.733 4.429) 5.793 16.249 ( -0.000 -18.151 -37.720) 41.860 16.249 ( -0.000 -18.151 37.720) 41.860 20.066 ( 0.000 25.614 -9.866) 27.448 20.066 ( 0.000 25.614 9.866) 27.448 22.474 ( -0.000 -16.051 -9.005) 18.404 22.474 ( -0.000 -16.051 9.005) 18.404 24.702 ( -0.000 -2.682 -5.648) 6.253 24.702 ( -0.000 -2.682 5.648) 6.253 25.065 ( 0.000 0.567 -2.480) 2.544 25.065 ( 0.000 0.567 2.480) 2.544 26.868 ( -0.000 -1.613 -13.060) 13.159 26.868 ( -0.000 -1.613 13.060) 13.159 28.490 ( -0.000 -1.423 -10.393) 10.490 28.490 ( -0.000 -1.423 10.393) 10.490 33.008 ( 0.000 4.555 -27.493) 27.868 33.008 ( 0.000 4.555 27.493) 27.868 =================== 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 3/43560 10.0 3736.580 1791.425 1251.015 0.000 0.000 -0.000 3/43560 20.0 10243.185 6065.120 5914.778 0.000 0.000 -0.000 3/43560 30.0 6593.132 4996.306 5447.928 0.000 0.000 -0.000 3/43560 40.0 4059.925 3642.410 3642.683 0.000 0.000 -0.000 3/43560 50.0 2331.342 2266.242 2237.640 0.000 0.000 -0.000 3/43560 60.0 1339.576 1388.170 1366.208 0.000 0.000 -0.000 3/43560 70.0 827.824 901.415 876.213 0.000 0.000 -0.000 3/43560 80.0 555.653 626.573 601.362 0.000 0.000 -0.000 3/43560 90.0 400.403 462.386 439.820 0.000 0.000 -0.000 3/43560 100.0 305.243 358.220 339.140 0.000 0.000 -0.000 3/43560 110.0 243.085 288.419 272.763 0.000 0.000 -0.000 3/43560 120.0 200.247 239.386 226.771 0.000 0.000 -0.000 3/43560 130.0 169.377 203.540 193.507 0.000 0.000 -0.000 3/43560 140.0 146.294 176.439 168.554 0.000 0.000 -0.000 3/43560 150.0 128.497 155.363 149.248 0.000 0.000 -0.000 3/43560 160.0 114.419 138.578 133.914 0.000 0.000 -0.000 3/43560 170.0 103.042 124.938 121.461 0.000 0.000 -0.000 3/43560 180.0 93.677 113.661 111.156 0.000 0.000 -0.000 3/43560 190.0 85.850 104.200 102.491 0.000 0.000 -0.000 3/43560 200.0 79.219 96.161 95.106 0.000 0.000 -0.000 3/43560 210.0 73.537 89.254 88.738 0.000 0.000 -0.000 3/43560 220.0 68.620 83.262 83.190 0.000 0.000 -0.000 3/43560 230.0 64.325 78.019 78.314 0.000 0.000 -0.000 3/43560 240.0 60.546 73.396 73.996 0.000 0.000 -0.000 3/43560 250.0 57.196 69.291 70.146 0.000 0.000 -0.000 3/43560 260.0 54.208 65.625 66.691 0.000 0.000 -0.000 3/43560 270.0 51.528 62.332 63.574 0.000 0.000 -0.000 3/43560 280.0 49.111 59.359 60.748 0.000 0.000 -0.000 3/43560 290.0 46.920 56.662 58.174 0.000 0.000 -0.000 3/43560 300.0 44.927 54.205 55.820 0.000 0.000 -0.000 3/43560 310.0 43.106 51.958 53.658 0.000 0.000 -0.000 3/43560 320.0 41.435 49.896 51.667 0.000 0.000 -0.000 3/43560 330.0 39.897 47.997 49.827 0.000 0.000 -0.000 3/43560 340.0 38.476 46.242 48.120 0.000 0.000 -0.000 3/43560 350.0 37.161 44.615 46.533 0.000 0.000 -0.000 3/43560 360.0 35.938 43.104 45.054 0.000 0.000 -0.000 3/43560 370.0 34.799 41.696 43.672 0.000 0.000 -0.000 3/43560 380.0 33.736 40.381 42.377 0.000 0.000 -0.000 3/43560 390.0 32.740 39.151 41.161 0.000 0.000 -0.000 3/43560 400.0 31.806 37.996 40.018 0.000 0.000 -0.000 3/43560 410.0 30.928 36.911 38.940 0.000 0.000 -0.000 3/43560 420.0 30.101 35.889 37.922 0.000 0.000 -0.000 3/43560 430.0 29.320 34.925 36.960 0.000 0.000 -0.000 3/43560 440.0 28.582 34.014 36.048 0.000 0.000 -0.000 3/43560 450.0 27.882 33.151 35.183 0.000 0.000 -0.000 3/43560 460.0 27.219 32.333 34.360 0.000 0.000 -0.000 3/43560 470.0 26.589 31.557 33.578 0.000 0.000 -0.000 3/43560 480.0 25.989 30.819 32.833 0.000 0.000 -0.000 3/43560 490.0 25.418 30.116 32.121 0.000 0.000 -0.000 3/43560 500.0 24.873 29.446 31.442 0.000 0.000 -0.000 3/43560 510.0 24.352 28.807 30.792 0.000 0.000 -0.000 3/43560 520.0 23.855 28.196 30.171 0.000 0.000 -0.000 3/43560 530.0 23.378 27.612 29.575 0.000 0.000 -0.000 3/43560 540.0 22.921 27.053 29.003 0.000 0.000 -0.000 3/43560 550.0 22.483 26.517 28.454 0.000 0.000 -0.000 3/43560 560.0 22.063 26.002 27.927 0.000 0.000 -0.000 3/43560 570.0 21.659 25.509 27.420 0.000 0.000 -0.000 3/43560 580.0 21.270 25.034 26.932 0.000 0.000 -0.000 3/43560 590.0 20.896 24.577 26.462 0.000 0.000 -0.000 3/43560 600.0 20.535 24.138 26.008 0.000 0.000 -0.000 3/43560 610.0 20.187 23.715 25.571 0.000 0.000 -0.000 3/43560 620.0 19.852 23.307 25.148 0.000 0.000 -0.000 3/43560 630.0 19.528 22.913 24.741 0.000 0.000 -0.000 3/43560 640.0 19.214 22.533 24.346 0.000 0.000 -0.000 3/43560 650.0 18.912 22.166 23.965 0.000 0.000 -0.000 3/43560 660.0 18.619 21.811 23.595 0.000 0.000 -0.000 3/43560 670.0 18.335 21.468 23.238 0.000 0.000 -0.000 3/43560 680.0 18.060 21.135 22.891 0.000 0.000 -0.000 3/43560 690.0 17.794 20.814 22.555 0.000 0.000 -0.000 3/43560 700.0 17.536 20.502 22.230 0.000 0.000 -0.000 3/43560 710.0 17.285 20.200 21.913 0.000 0.000 -0.000 3/43560 720.0 17.042 19.907 21.606 0.000 0.000 -0.000 3/43560 730.0 16.806 19.622 21.308 0.000 0.000 -0.000 3/43560 740.0 16.576 19.346 21.018 0.000 0.000 -0.000 3/43560 750.0 16.353 19.078 20.736 0.000 0.000 -0.000 3/43560 760.0 16.136 18.817 20.462 0.000 0.000 -0.000 3/43560 770.0 15.925 18.564 20.196 0.000 0.000 -0.000 3/43560 780.0 15.720 18.317 19.936 0.000 0.000 -0.000 3/43560 790.0 15.520 18.078 19.683 0.000 0.000 -0.000 3/43560 800.0 15.325 17.844 19.437 0.000 0.000 -0.000 3/43560 810.0 15.135 17.617 19.197 0.000 0.000 -0.000 3/43560 820.0 14.950 17.396 18.963 0.000 0.000 -0.000 3/43560 830.0 14.769 17.180 18.734 0.000 0.000 -0.000 3/43560 840.0 14.593 16.970 18.512 0.000 0.000 -0.000 3/43560 850.0 14.422 16.765 18.294 0.000 0.000 -0.000 3/43560 860.0 14.254 16.565 18.082 0.000 0.000 -0.000 3/43560 870.0 14.090 16.369 17.875 0.000 0.000 -0.000 3/43560 880.0 13.930 16.179 17.673 0.000 0.000 -0.000 3/43560 890.0 13.774 15.993 17.475 0.000 0.000 -0.000 3/43560 900.0 13.621 15.811 17.282 0.000 0.000 -0.000 3/43560 910.0 13.472 15.634 17.093 0.000 0.000 -0.000 3/43560 920.0 13.326 15.460 16.908 0.000 0.000 -0.000 3/43560 930.0 13.183 15.291 16.727 0.000 0.000 -0.000 3/43560 940.0 13.043 15.125 16.551 0.000 0.000 -0.000 3/43560 950.0 12.907 14.963 16.378 0.000 0.000 -0.000 3/43560 960.0 12.773 14.804 16.208 0.000 0.000 -0.000 3/43560 970.0 12.642 14.649 16.042 0.000 0.000 -0.000 3/43560 980.0 12.514 14.497 15.880 0.000 0.000 -0.000 3/43560 990.0 12.388 14.348 15.721 0.000 0.000 -0.000 3/43560 1000.0 12.265 14.203 15.565 0.000 0.000 -0.000 3/43560 Thermal conductivity related properties were written into "kappa-m111110.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:05:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|