----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:35:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.229635590079853 0.000000000000000 0.000000000000000 b 0.000000000000000 5.115081699999999 0.000000000000000 c -1.223291832257919 0.000000000000000 7.494802620266911 Atomic positions (fractional): *1 P 0.60403282346330 0.39433437578085 0.90133637484433 30.974 2 P 0.39596717653670 0.89433437578085 0.59866362515567 30.974 *3 P 0.74089363153050 0.71077603202457 0.74696915234666 30.974 4 P 0.25910636846950 0.21077603202457 0.75303084765334 30.974 5 P 0.25910636846950 0.28922396797542 0.25303084765334 30.974 6 P 0.74089363153050 0.78922396797543 0.24696915234666 30.974 7 P 0.60403282346330 0.10566562421915 0.40133637484433 30.974 8 P 0.39596717653670 0.60566562421915 0.09866362515567 30.974 *9 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 10 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.229635590079853 0.000000000000000 0.000000000000000 b 0.000000000000000 5.115081699999999 0.000000000000000 c -1.223291832257919 0.000000000000000 7.494802620266911 Atomic positions (fractional): *1 P 0.60403282346330 0.39433437578085 0.90133637484433 30.974 > 1 2 P 0.39596717653670 0.89433437578085 0.59866362515567 30.974 > 2 *3 P 0.74089363153050 0.71077603202457 0.74696915234666 30.974 > 3 4 P 0.25910636846950 0.21077603202458 0.75303084765334 30.974 > 4 5 P 0.25910636846950 0.28922396797542 0.25303084765334 30.974 > 5 6 P 0.74089363153050 0.78922396797543 0.24696915234666 30.974 > 6 7 P 0.60403282346330 0.10566562421915 0.40133637484433 30.974 > 7 8 P 0.39596717653670 0.60566562421915 0.09866362515567 30.974 > 8 *9 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 9 10 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.459271180159705 0.000000000000000 0.000000000000000 b 0.000000000000000 15.345245099999998 0.000000000000000 c -2.446583664515838 0.000000000000000 14.989605240533821 Atomic positions (fractional): *1 P 0.30201641173165 0.13144479192695 0.45066818742216 30.974 > 1 2 P 0.80201641173165 0.13144479192695 0.45066818742216 30.974 > 1 3 P 0.30201641173165 0.46477812526028 0.45066818742216 30.974 > 1 4 P 0.80201641173165 0.46477812526028 0.45066818742216 30.974 > 1 5 P 0.30201641173165 0.79811145859362 0.45066818742216 30.974 > 1 6 P 0.80201641173165 0.79811145859362 0.45066818742216 30.974 > 1 7 P 0.30201641173165 0.13144479192695 0.95066818742216 30.974 > 1 8 P 0.80201641173165 0.13144479192695 0.95066818742216 30.974 > 1 9 P 0.30201641173165 0.46477812526028 0.95066818742216 30.974 > 1 10 P 0.80201641173165 0.46477812526028 0.95066818742216 30.974 > 1 11 P 0.30201641173165 0.79811145859362 0.95066818742216 30.974 > 1 12 P 0.80201641173165 0.79811145859362 0.95066818742216 30.974 > 1 13 P 0.19798358826835 0.29811145859362 0.29933181257784 30.974 > 2 14 P 0.69798358826835 0.29811145859362 0.29933181257784 30.974 > 2 15 P 0.19798358826835 0.63144479192695 0.29933181257784 30.974 > 2 16 P 0.69798358826835 0.63144479192695 0.29933181257784 30.974 > 2 17 P 0.19798358826835 0.96477812526028 0.29933181257784 30.974 > 2 18 P 0.69798358826835 0.96477812526028 0.29933181257784 30.974 > 2 19 P 0.19798358826835 0.29811145859362 0.79933181257784 30.974 > 2 20 P 0.69798358826835 0.29811145859362 0.79933181257784 30.974 > 2 21 P 0.19798358826835 0.63144479192695 0.79933181257784 30.974 > 2 22 P 0.69798358826835 0.63144479192695 0.79933181257784 30.974 > 2 23 P 0.19798358826835 0.96477812526028 0.79933181257784 30.974 > 2 24 P 0.69798358826835 0.96477812526028 0.79933181257784 30.974 > 2 *25 P 0.37044681576525 0.23692534400819 0.37348457617333 30.974 > 3 26 P 0.87044681576525 0.23692534400819 0.37348457617333 30.974 > 3 27 P 0.37044681576525 0.57025867734153 0.37348457617333 30.974 > 3 28 P 0.87044681576525 0.57025867734153 0.37348457617333 30.974 > 3 29 P 0.37044681576525 0.90359201067486 0.37348457617333 30.974 > 3 30 P 0.87044681576525 0.90359201067486 0.37348457617333 30.974 > 3 31 P 0.37044681576525 0.23692534400819 0.87348457617333 30.974 > 3 32 P 0.87044681576525 0.23692534400819 0.87348457617333 30.974 > 3 33 P 0.37044681576525 0.57025867734153 0.87348457617333 30.974 > 3 34 P 0.87044681576525 0.57025867734153 0.87348457617333 30.974 > 3 35 P 0.37044681576525 0.90359201067486 0.87348457617333 30.974 > 3 36 P 0.87044681576525 0.90359201067486 0.87348457617333 30.974 > 3 37 P 0.12955318423475 0.07025867734152 0.37651542382667 30.974 > 4 38 P 0.62955318423475 0.07025867734152 0.37651542382667 30.974 > 4 39 P 0.12955318423475 0.40359201067486 0.37651542382667 30.974 > 4 40 P 0.62955318423475 0.40359201067486 0.37651542382667 30.974 > 4 41 P 0.12955318423475 0.73692534400819 0.37651542382667 30.974 > 4 42 P 0.62955318423475 0.73692534400819 0.37651542382667 30.974 > 4 43 P 0.12955318423475 0.07025867734152 0.87651542382667 30.974 > 4 44 P 0.62955318423475 0.07025867734152 0.87651542382667 30.974 > 4 45 P 0.12955318423475 0.40359201067486 0.87651542382667 30.974 > 4 46 P 0.62955318423475 0.40359201067486 0.87651542382667 30.974 > 4 47 P 0.12955318423475 0.73692534400819 0.87651542382667 30.974 > 4 48 P 0.62955318423475 0.73692534400819 0.87651542382667 30.974 > 4 49 P 0.12955318423475 0.09640798932514 0.12651542382667 30.974 > 5 50 P 0.62955318423475 0.09640798932514 0.12651542382667 30.974 > 5 51 P 0.12955318423475 0.42974132265847 0.12651542382667 30.974 > 5 52 P 0.62955318423475 0.42974132265847 0.12651542382667 30.974 > 5 53 P 0.12955318423475 0.76307465599181 0.12651542382667 30.974 > 5 54 P 0.62955318423475 0.76307465599181 0.12651542382667 30.974 > 5 55 P 0.12955318423475 0.09640798932514 0.62651542382667 30.974 > 5 56 P 0.62955318423475 0.09640798932514 0.62651542382667 30.974 > 5 57 P 0.12955318423475 0.42974132265847 0.62651542382667 30.974 > 5 58 P 0.62955318423475 0.42974132265847 0.62651542382667 30.974 > 5 59 P 0.12955318423475 0.76307465599181 0.62651542382667 30.974 > 5 60 P 0.62955318423475 0.76307465599181 0.62651542382667 30.974 > 5 61 P 0.37044681576525 0.26307465599181 0.12348457617333 30.974 > 6 62 P 0.87044681576525 0.26307465599181 0.12348457617333 30.974 > 6 63 P 0.37044681576525 0.59640798932514 0.12348457617333 30.974 > 6 64 P 0.87044681576525 0.59640798932514 0.12348457617333 30.974 > 6 65 P 0.37044681576525 0.92974132265847 0.12348457617333 30.974 > 6 66 P 0.87044681576525 0.92974132265847 0.12348457617333 30.974 > 6 67 P 0.37044681576525 0.26307465599181 0.62348457617333 30.974 > 6 68 P 0.87044681576525 0.26307465599181 0.62348457617333 30.974 > 6 69 P 0.37044681576525 0.59640798932514 0.62348457617333 30.974 > 6 70 P 0.87044681576525 0.59640798932514 0.62348457617333 30.974 > 6 71 P 0.37044681576525 0.92974132265847 0.62348457617333 30.974 > 6 72 P 0.87044681576525 0.92974132265847 0.62348457617333 30.974 > 6 73 P 0.30201641173165 0.03522187473972 0.20066818742216 30.974 > 7 74 P 0.80201641173165 0.03522187473972 0.20066818742216 30.974 > 7 75 P 0.30201641173165 0.36855520807305 0.20066818742216 30.974 > 7 76 P 0.80201641173165 0.36855520807305 0.20066818742216 30.974 > 7 77 P 0.30201641173165 0.70188854140638 0.20066818742216 30.974 > 7 78 P 0.80201641173165 0.70188854140638 0.20066818742216 30.974 > 7 79 P 0.30201641173165 0.03522187473972 0.70066818742216 30.974 > 7 80 P 0.80201641173165 0.03522187473972 0.70066818742216 30.974 > 7 81 P 0.30201641173165 0.36855520807305 0.70066818742216 30.974 > 7 82 P 0.80201641173165 0.36855520807305 0.70066818742216 30.974 > 7 83 P 0.30201641173165 0.70188854140638 0.70066818742216 30.974 > 7 84 P 0.80201641173165 0.70188854140638 0.70066818742216 30.974 > 7 85 P 0.19798358826835 0.20188854140638 0.04933181257784 30.974 > 8 86 P 0.69798358826835 0.20188854140638 0.04933181257784 30.974 > 8 87 P 0.19798358826835 0.53522187473972 0.04933181257784 30.974 > 8 88 P 0.69798358826835 0.53522187473972 0.04933181257784 30.974 > 8 89 P 0.19798358826835 0.86855520807305 0.04933181257784 30.974 > 8 90 P 0.69798358826835 0.86855520807305 0.04933181257784 30.974 > 8 91 P 0.19798358826835 0.20188854140638 0.54933181257784 30.974 > 8 92 P 0.69798358826835 0.20188854140638 0.54933181257784 30.974 > 8 93 P 0.19798358826835 0.53522187473972 0.54933181257784 30.974 > 8 94 P 0.69798358826835 0.53522187473972 0.54933181257784 30.974 > 8 95 P 0.19798358826835 0.86855520807305 0.54933181257784 30.974 > 8 96 P 0.69798358826835 0.86855520807305 0.54933181257784 30.974 > 8 *97 Cd 0.00000000000000 0.16666666666667 0.25000000000000 112.411 > 9 98 Cd 0.50000000000000 0.16666666666667 0.25000000000000 112.411 > 9 99 Cd 0.00000000000000 0.50000000000000 0.25000000000000 112.411 > 9 100 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 9 101 Cd 0.00000000000000 0.83333333333333 0.25000000000000 112.411 > 9 102 Cd 0.50000000000000 0.83333333333333 0.25000000000000 112.411 > 9 103 Cd 0.00000000000000 0.16666666666667 0.75000000000000 112.411 > 9 104 Cd 0.50000000000000 0.16666666666667 0.75000000000000 112.411 > 9 105 Cd 0.00000000000000 0.50000000000000 0.75000000000000 112.411 > 9 106 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 9 107 Cd 0.00000000000000 0.83333333333333 0.75000000000000 112.411 > 9 108 Cd 0.50000000000000 0.83333333333333 0.75000000000000 112.411 > 9 109 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 10 110 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 10 111 Cd 0.00000000000000 0.33333333333333 0.00000000000000 112.411 > 10 112 Cd 0.50000000000000 0.33333333333333 0.00000000000000 112.411 > 10 113 Cd 0.00000000000000 0.66666666666667 0.00000000000000 112.411 > 10 114 Cd 0.50000000000000 0.66666666666667 0.00000000000000 112.411 > 10 115 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 10 116 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 10 117 Cd 0.00000000000000 0.33333333333333 0.50000000000000 112.411 > 10 118 Cd 0.50000000000000 0.33333333333333 0.50000000000000 112.411 > 10 119 Cd 0.00000000000000 0.66666666666667 0.50000000000000 112.411 > 10 120 Cd 0.50000000000000 0.66666666666667 0.50000000000000 112.411 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.9874026 0.0000000 -0.8955521 0.0000000 34.6530466 0.0000000 -0.8955449 0.0000000 14.9036841 -------------------------- Born effective charges -------------------------- 1 P -0.4653772 0.5168574 -0.1687044 0.9321390 0.7930259 0.2290400 -0.2392344 -0.0728197 0.2210659 2 P -0.4653772 -0.5168574 -0.1687044 -0.9321390 0.7930259 -0.2290400 -0.2392344 0.0728197 0.2210659 3 P -1.2538553 -0.3722360 0.0962142 0.6085640 -2.1293739 0.7783281 0.3790109 0.1390225 -1.5850317 4 P -1.2538553 0.3722360 0.0962142 -0.6085640 -2.1293739 -0.7783281 0.3790109 -0.1390225 -1.5850317 5 P -1.2538553 -0.3722360 0.0962142 0.6085640 -2.1293739 0.7783281 0.3790109 0.1390225 -1.5850317 6 P -1.2538553 0.3722360 0.0962142 -0.6085640 -2.1293739 -0.7783281 0.3790109 -0.1390225 -1.5850317 7 P -0.4653772 -0.5168574 -0.1687044 -0.9321390 0.7930259 -0.2290400 -0.2392344 0.0728197 0.2210659 8 P -0.4653772 0.5168574 -0.1687044 0.9321390 0.7930259 0.2290400 -0.2392344 -0.0728197 0.2210659 9 Cd 3.4384649 -0.2432431 0.1449803 -0.6460845 2.6726961 -0.0799291 -0.2795529 0.3532698 2.7279316 10 Cd 3.4384649 0.2432431 0.1449803 0.6460845 2.6726961 0.0799291 -0.2795529 -0.3532698 2.7279316 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1434 Number of blocks in projector: 1434 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: 302 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1434, 1408), data: False |-- (176, 173), data: True |-- (176, 173), data: True |-- (176, 173), data: True |-- (302, 296), data: True |-- (302, 297), data: True |-- (302, 296), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.008 Solver_block: 200 / 320 - Time: 2.048 Solver_block: 300 / 320 - Time: 2.050 Solver_block: 320 / 320 - Time: 0.489 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.627 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1434 Number of blocks in projector: 1434 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: 302 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1434, 1408), data: False |-- (176, 173), data: True |-- (176, 173), data: True |-- (176, 173), data: True |-- (302, 296), data: True |-- (302, 297), data: True |-- (302, 296), 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 22:36:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:36:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.229635590079853 0.000000000000000 0.000000000000000 b 0.000000000000000 5.115081699999999 0.000000000000000 c -1.223291832257919 0.000000000000000 7.494802620266911 Atomic positions (fractional): 1 P 0.60403282346330 0.39433437578085 0.90133637484433 30.974 2 P 0.39596717653670 0.89433437578085 0.59866362515567 30.974 3 P 0.74089363153050 0.71077603202457 0.74696915234666 30.974 4 P 0.25910636846950 0.21077603202457 0.75303084765334 30.974 5 P 0.25910636846950 0.28922396797542 0.25303084765334 30.974 6 P 0.74089363153050 0.78922396797543 0.24696915234666 30.974 7 P 0.60403282346330 0.10566562421915 0.40133637484433 30.974 8 P 0.39596717653670 0.60566562421915 0.09866362515567 30.974 9 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 10 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.459271180159705 0.000000000000000 0.000000000000000 b 0.000000000000000 15.345245099999998 0.000000000000000 c -2.446583664515838 0.000000000000000 14.989605240533821 Atomic positions (fractional): 1 P 0.30201641173165 0.13144479192695 0.45066818742216 30.974 > 1 2 P 0.80201641173165 0.13144479192695 0.45066818742216 30.974 > 1 3 P 0.30201641173165 0.46477812526028 0.45066818742216 30.974 > 1 4 P 0.80201641173165 0.46477812526028 0.45066818742216 30.974 > 1 5 P 0.30201641173165 0.79811145859362 0.45066818742216 30.974 > 1 6 P 0.80201641173165 0.79811145859362 0.45066818742216 30.974 > 1 7 P 0.30201641173165 0.13144479192695 0.95066818742216 30.974 > 1 8 P 0.80201641173165 0.13144479192695 0.95066818742216 30.974 > 1 9 P 0.30201641173165 0.46477812526028 0.95066818742216 30.974 > 1 10 P 0.80201641173165 0.46477812526028 0.95066818742216 30.974 > 1 11 P 0.30201641173165 0.79811145859362 0.95066818742216 30.974 > 1 12 P 0.80201641173165 0.79811145859362 0.95066818742216 30.974 > 1 13 P 0.19798358826835 0.29811145859362 0.29933181257784 30.974 > 13 14 P 0.69798358826835 0.29811145859362 0.29933181257784 30.974 > 13 15 P 0.19798358826835 0.63144479192695 0.29933181257784 30.974 > 13 16 P 0.69798358826835 0.63144479192695 0.29933181257784 30.974 > 13 17 P 0.19798358826835 0.96477812526028 0.29933181257784 30.974 > 13 18 P 0.69798358826835 0.96477812526028 0.29933181257784 30.974 > 13 19 P 0.19798358826835 0.29811145859362 0.79933181257784 30.974 > 13 20 P 0.69798358826835 0.29811145859362 0.79933181257784 30.974 > 13 21 P 0.19798358826835 0.63144479192695 0.79933181257784 30.974 > 13 22 P 0.69798358826835 0.63144479192695 0.79933181257784 30.974 > 13 23 P 0.19798358826835 0.96477812526028 0.79933181257784 30.974 > 13 24 P 0.69798358826835 0.96477812526028 0.79933181257784 30.974 > 13 25 P 0.37044681576525 0.23692534400819 0.37348457617333 30.974 > 25 26 P 0.87044681576525 0.23692534400819 0.37348457617333 30.974 > 25 27 P 0.37044681576525 0.57025867734153 0.37348457617333 30.974 > 25 28 P 0.87044681576525 0.57025867734153 0.37348457617333 30.974 > 25 29 P 0.37044681576525 0.90359201067486 0.37348457617333 30.974 > 25 30 P 0.87044681576525 0.90359201067486 0.37348457617333 30.974 > 25 31 P 0.37044681576525 0.23692534400819 0.87348457617333 30.974 > 25 32 P 0.87044681576525 0.23692534400819 0.87348457617333 30.974 > 25 33 P 0.37044681576525 0.57025867734153 0.87348457617333 30.974 > 25 34 P 0.87044681576525 0.57025867734153 0.87348457617333 30.974 > 25 35 P 0.37044681576525 0.90359201067486 0.87348457617333 30.974 > 25 36 P 0.87044681576525 0.90359201067486 0.87348457617333 30.974 > 25 37 P 0.12955318423475 0.07025867734152 0.37651542382667 30.974 > 37 38 P 0.62955318423475 0.07025867734152 0.37651542382667 30.974 > 37 39 P 0.12955318423475 0.40359201067486 0.37651542382667 30.974 > 37 40 P 0.62955318423475 0.40359201067486 0.37651542382667 30.974 > 37 41 P 0.12955318423475 0.73692534400819 0.37651542382667 30.974 > 37 42 P 0.62955318423475 0.73692534400819 0.37651542382667 30.974 > 37 43 P 0.12955318423475 0.07025867734152 0.87651542382667 30.974 > 37 44 P 0.62955318423475 0.07025867734152 0.87651542382667 30.974 > 37 45 P 0.12955318423475 0.40359201067486 0.87651542382667 30.974 > 37 46 P 0.62955318423475 0.40359201067486 0.87651542382667 30.974 > 37 47 P 0.12955318423475 0.73692534400819 0.87651542382667 30.974 > 37 48 P 0.62955318423475 0.73692534400819 0.87651542382667 30.974 > 37 49 P 0.12955318423475 0.09640798932514 0.12651542382667 30.974 > 49 50 P 0.62955318423475 0.09640798932514 0.12651542382667 30.974 > 49 51 P 0.12955318423475 0.42974132265847 0.12651542382667 30.974 > 49 52 P 0.62955318423475 0.42974132265847 0.12651542382667 30.974 > 49 53 P 0.12955318423475 0.76307465599181 0.12651542382667 30.974 > 49 54 P 0.62955318423475 0.76307465599181 0.12651542382667 30.974 > 49 55 P 0.12955318423475 0.09640798932514 0.62651542382667 30.974 > 49 56 P 0.62955318423475 0.09640798932514 0.62651542382667 30.974 > 49 57 P 0.12955318423475 0.42974132265847 0.62651542382667 30.974 > 49 58 P 0.62955318423475 0.42974132265847 0.62651542382667 30.974 > 49 59 P 0.12955318423475 0.76307465599181 0.62651542382667 30.974 > 49 60 P 0.62955318423475 0.76307465599181 0.62651542382667 30.974 > 49 61 P 0.37044681576525 0.26307465599181 0.12348457617333 30.974 > 61 62 P 0.87044681576525 0.26307465599181 0.12348457617333 30.974 > 61 63 P 0.37044681576525 0.59640798932514 0.12348457617333 30.974 > 61 64 P 0.87044681576525 0.59640798932514 0.12348457617333 30.974 > 61 65 P 0.37044681576525 0.92974132265847 0.12348457617333 30.974 > 61 66 P 0.87044681576525 0.92974132265847 0.12348457617333 30.974 > 61 67 P 0.37044681576525 0.26307465599181 0.62348457617333 30.974 > 61 68 P 0.87044681576525 0.26307465599181 0.62348457617333 30.974 > 61 69 P 0.37044681576525 0.59640798932514 0.62348457617333 30.974 > 61 70 P 0.87044681576525 0.59640798932514 0.62348457617333 30.974 > 61 71 P 0.37044681576525 0.92974132265847 0.62348457617333 30.974 > 61 72 P 0.87044681576525 0.92974132265847 0.62348457617333 30.974 > 61 73 P 0.30201641173165 0.03522187473972 0.20066818742216 30.974 > 73 74 P 0.80201641173165 0.03522187473972 0.20066818742216 30.974 > 73 75 P 0.30201641173165 0.36855520807305 0.20066818742216 30.974 > 73 76 P 0.80201641173165 0.36855520807305 0.20066818742216 30.974 > 73 77 P 0.30201641173165 0.70188854140638 0.20066818742216 30.974 > 73 78 P 0.80201641173165 0.70188854140638 0.20066818742216 30.974 > 73 79 P 0.30201641173165 0.03522187473972 0.70066818742216 30.974 > 73 80 P 0.80201641173165 0.03522187473972 0.70066818742216 30.974 > 73 81 P 0.30201641173165 0.36855520807305 0.70066818742216 30.974 > 73 82 P 0.80201641173165 0.36855520807305 0.70066818742216 30.974 > 73 83 P 0.30201641173165 0.70188854140638 0.70066818742216 30.974 > 73 84 P 0.80201641173165 0.70188854140638 0.70066818742216 30.974 > 73 85 P 0.19798358826835 0.20188854140638 0.04933181257784 30.974 > 85 86 P 0.69798358826835 0.20188854140638 0.04933181257784 30.974 > 85 87 P 0.19798358826835 0.53522187473972 0.04933181257784 30.974 > 85 88 P 0.69798358826835 0.53522187473972 0.04933181257784 30.974 > 85 89 P 0.19798358826835 0.86855520807305 0.04933181257784 30.974 > 85 90 P 0.69798358826835 0.86855520807305 0.04933181257784 30.974 > 85 91 P 0.19798358826835 0.20188854140638 0.54933181257784 30.974 > 85 92 P 0.69798358826835 0.20188854140638 0.54933181257784 30.974 > 85 93 P 0.19798358826835 0.53522187473972 0.54933181257784 30.974 > 85 94 P 0.69798358826835 0.53522187473972 0.54933181257784 30.974 > 85 95 P 0.19798358826835 0.86855520807305 0.54933181257784 30.974 > 85 96 P 0.69798358826835 0.86855520807305 0.54933181257784 30.974 > 85 97 Cd 0.00000000000000 0.16666666666667 0.25000000000000 112.411 > 97 98 Cd 0.50000000000000 0.16666666666667 0.25000000000000 112.411 > 97 99 Cd 0.00000000000000 0.50000000000000 0.25000000000000 112.411 > 97 100 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 97 101 Cd 0.00000000000000 0.83333333333333 0.25000000000000 112.411 > 97 102 Cd 0.50000000000000 0.83333333333333 0.25000000000000 112.411 > 97 103 Cd 0.00000000000000 0.16666666666667 0.75000000000000 112.411 > 97 104 Cd 0.50000000000000 0.16666666666667 0.75000000000000 112.411 > 97 105 Cd 0.00000000000000 0.50000000000000 0.75000000000000 112.411 > 97 106 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 97 107 Cd 0.00000000000000 0.83333333333333 0.75000000000000 112.411 > 97 108 Cd 0.50000000000000 0.83333333333333 0.75000000000000 112.411 > 97 109 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 109 110 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 109 111 Cd 0.00000000000000 0.33333333333333 0.00000000000000 112.411 > 109 112 Cd 0.50000000000000 0.33333333333333 0.00000000000000 112.411 > 109 113 Cd 0.00000000000000 0.66666666666667 0.00000000000000 112.411 > 109 114 Cd 0.50000000000000 0.66666666666667 0.00000000000000 112.411 > 109 115 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 109 116 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 109 117 Cd 0.00000000000000 0.33333333333333 0.50000000000000 112.411 > 109 118 Cd 0.50000000000000 0.33333333333333 0.50000000000000 112.411 > 109 119 Cd 0.00000000000000 0.66666666666667 0.50000000000000 112.411 > 109 120 Cd 0.50000000000000 0.66666666666667 0.50000000000000 112.411 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.9874026 0.0000000 -0.8955521 0.0000000 34.6530466 0.0000000 -0.8955449 0.0000000 14.9036841 -------------------------- Born effective charges -------------------------- 1 P -0.4653772 0.5168574 -0.1687044 0.9321390 0.7930259 0.2290400 -0.2392344 -0.0728197 0.2210659 2 P -0.4653772 -0.5168574 -0.1687044 -0.9321390 0.7930259 -0.2290400 -0.2392344 0.0728197 0.2210659 3 P -1.2538553 -0.3722360 0.0962142 0.6085640 -2.1293739 0.7783281 0.3790109 0.1390225 -1.5850317 4 P -1.2538553 0.3722360 0.0962142 -0.6085640 -2.1293739 -0.7783281 0.3790109 -0.1390225 -1.5850317 5 P -1.2538553 -0.3722360 0.0962142 0.6085640 -2.1293739 0.7783281 0.3790109 0.1390225 -1.5850317 6 P -1.2538553 0.3722360 0.0962142 -0.6085640 -2.1293739 -0.7783281 0.3790109 -0.1390225 -1.5850317 7 P -0.4653772 -0.5168574 -0.1687044 -0.9321390 0.7930259 -0.2290400 -0.2392344 0.0728197 0.2210659 8 P -0.4653772 0.5168574 -0.1687044 0.9321390 0.7930259 0.2290400 -0.2392344 -0.0728197 0.2210659 9 Cd 3.4384649 -0.2432431 0.1449803 -0.6460845 2.6726961 -0.0799291 -0.2795529 0.3532698 2.7279316 10 Cd 3.4384649 0.2432431 0.1449803 0.6460845 2.6726961 0.0799291 -0.2795529 -0.3532698 2.7279316 ---------------------------------------------------------------------------- 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xy) 0.00000003 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:36:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:36:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.229635590079853 0.000000000000000 0.000000000000000 b 0.000000000000000 5.115081699999999 0.000000000000000 c -1.223291832257919 0.000000000000000 7.494802620266911 Atomic positions (fractional): 1 P 0.60403282346330 0.39433437578085 0.90133637484433 30.974 2 P 0.39596717653670 0.89433437578085 0.59866362515567 30.974 3 P 0.74089363153050 0.71077603202457 0.74696915234666 30.974 4 P 0.25910636846950 0.21077603202457 0.75303084765334 30.974 5 P 0.25910636846950 0.28922396797542 0.25303084765334 30.974 6 P 0.74089363153050 0.78922396797543 0.24696915234666 30.974 7 P 0.60403282346330 0.10566562421915 0.40133637484433 30.974 8 P 0.39596717653670 0.60566562421915 0.09866362515567 30.974 9 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 10 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.459271180159705 0.000000000000000 0.000000000000000 b 0.000000000000000 15.345245099999998 0.000000000000000 c -2.446583664515838 0.000000000000000 14.989605240533821 Atomic positions (fractional): 1 P 0.30201641173165 0.13144479192695 0.45066818742216 30.974 > 1 2 P 0.80201641173165 0.13144479192695 0.45066818742216 30.974 > 1 3 P 0.30201641173165 0.46477812526028 0.45066818742216 30.974 > 1 4 P 0.80201641173165 0.46477812526028 0.45066818742216 30.974 > 1 5 P 0.30201641173165 0.79811145859362 0.45066818742216 30.974 > 1 6 P 0.80201641173165 0.79811145859362 0.45066818742216 30.974 > 1 7 P 0.30201641173165 0.13144479192695 0.95066818742216 30.974 > 1 8 P 0.80201641173165 0.13144479192695 0.95066818742216 30.974 > 1 9 P 0.30201641173165 0.46477812526028 0.95066818742216 30.974 > 1 10 P 0.80201641173165 0.46477812526028 0.95066818742216 30.974 > 1 11 P 0.30201641173165 0.79811145859362 0.95066818742216 30.974 > 1 12 P 0.80201641173165 0.79811145859362 0.95066818742216 30.974 > 1 13 P 0.19798358826835 0.29811145859362 0.29933181257784 30.974 > 13 14 P 0.69798358826835 0.29811145859362 0.29933181257784 30.974 > 13 15 P 0.19798358826835 0.63144479192695 0.29933181257784 30.974 > 13 16 P 0.69798358826835 0.63144479192695 0.29933181257784 30.974 > 13 17 P 0.19798358826835 0.96477812526028 0.29933181257784 30.974 > 13 18 P 0.69798358826835 0.96477812526028 0.29933181257784 30.974 > 13 19 P 0.19798358826835 0.29811145859362 0.79933181257784 30.974 > 13 20 P 0.69798358826835 0.29811145859362 0.79933181257784 30.974 > 13 21 P 0.19798358826835 0.63144479192695 0.79933181257784 30.974 > 13 22 P 0.69798358826835 0.63144479192695 0.79933181257784 30.974 > 13 23 P 0.19798358826835 0.96477812526028 0.79933181257784 30.974 > 13 24 P 0.69798358826835 0.96477812526028 0.79933181257784 30.974 > 13 25 P 0.37044681576525 0.23692534400819 0.37348457617333 30.974 > 25 26 P 0.87044681576525 0.23692534400819 0.37348457617333 30.974 > 25 27 P 0.37044681576525 0.57025867734153 0.37348457617333 30.974 > 25 28 P 0.87044681576525 0.57025867734153 0.37348457617333 30.974 > 25 29 P 0.37044681576525 0.90359201067486 0.37348457617333 30.974 > 25 30 P 0.87044681576525 0.90359201067486 0.37348457617333 30.974 > 25 31 P 0.37044681576525 0.23692534400819 0.87348457617333 30.974 > 25 32 P 0.87044681576525 0.23692534400819 0.87348457617333 30.974 > 25 33 P 0.37044681576525 0.57025867734153 0.87348457617333 30.974 > 25 34 P 0.87044681576525 0.57025867734153 0.87348457617333 30.974 > 25 35 P 0.37044681576525 0.90359201067486 0.87348457617333 30.974 > 25 36 P 0.87044681576525 0.90359201067486 0.87348457617333 30.974 > 25 37 P 0.12955318423475 0.07025867734152 0.37651542382667 30.974 > 37 38 P 0.62955318423475 0.07025867734152 0.37651542382667 30.974 > 37 39 P 0.12955318423475 0.40359201067486 0.37651542382667 30.974 > 37 40 P 0.62955318423475 0.40359201067486 0.37651542382667 30.974 > 37 41 P 0.12955318423475 0.73692534400819 0.37651542382667 30.974 > 37 42 P 0.62955318423475 0.73692534400819 0.37651542382667 30.974 > 37 43 P 0.12955318423475 0.07025867734152 0.87651542382667 30.974 > 37 44 P 0.62955318423475 0.07025867734152 0.87651542382667 30.974 > 37 45 P 0.12955318423475 0.40359201067486 0.87651542382667 30.974 > 37 46 P 0.62955318423475 0.40359201067486 0.87651542382667 30.974 > 37 47 P 0.12955318423475 0.73692534400819 0.87651542382667 30.974 > 37 48 P 0.62955318423475 0.73692534400819 0.87651542382667 30.974 > 37 49 P 0.12955318423475 0.09640798932514 0.12651542382667 30.974 > 49 50 P 0.62955318423475 0.09640798932514 0.12651542382667 30.974 > 49 51 P 0.12955318423475 0.42974132265847 0.12651542382667 30.974 > 49 52 P 0.62955318423475 0.42974132265847 0.12651542382667 30.974 > 49 53 P 0.12955318423475 0.76307465599181 0.12651542382667 30.974 > 49 54 P 0.62955318423475 0.76307465599181 0.12651542382667 30.974 > 49 55 P 0.12955318423475 0.09640798932514 0.62651542382667 30.974 > 49 56 P 0.62955318423475 0.09640798932514 0.62651542382667 30.974 > 49 57 P 0.12955318423475 0.42974132265847 0.62651542382667 30.974 > 49 58 P 0.62955318423475 0.42974132265847 0.62651542382667 30.974 > 49 59 P 0.12955318423475 0.76307465599181 0.62651542382667 30.974 > 49 60 P 0.62955318423475 0.76307465599181 0.62651542382667 30.974 > 49 61 P 0.37044681576525 0.26307465599181 0.12348457617333 30.974 > 61 62 P 0.87044681576525 0.26307465599181 0.12348457617333 30.974 > 61 63 P 0.37044681576525 0.59640798932514 0.12348457617333 30.974 > 61 64 P 0.87044681576525 0.59640798932514 0.12348457617333 30.974 > 61 65 P 0.37044681576525 0.92974132265847 0.12348457617333 30.974 > 61 66 P 0.87044681576525 0.92974132265847 0.12348457617333 30.974 > 61 67 P 0.37044681576525 0.26307465599181 0.62348457617333 30.974 > 61 68 P 0.87044681576525 0.26307465599181 0.62348457617333 30.974 > 61 69 P 0.37044681576525 0.59640798932514 0.62348457617333 30.974 > 61 70 P 0.87044681576525 0.59640798932514 0.62348457617333 30.974 > 61 71 P 0.37044681576525 0.92974132265847 0.62348457617333 30.974 > 61 72 P 0.87044681576525 0.92974132265847 0.62348457617333 30.974 > 61 73 P 0.30201641173165 0.03522187473972 0.20066818742216 30.974 > 73 74 P 0.80201641173165 0.03522187473972 0.20066818742216 30.974 > 73 75 P 0.30201641173165 0.36855520807305 0.20066818742216 30.974 > 73 76 P 0.80201641173165 0.36855520807305 0.20066818742216 30.974 > 73 77 P 0.30201641173165 0.70188854140638 0.20066818742216 30.974 > 73 78 P 0.80201641173165 0.70188854140638 0.20066818742216 30.974 > 73 79 P 0.30201641173165 0.03522187473972 0.70066818742216 30.974 > 73 80 P 0.80201641173165 0.03522187473972 0.70066818742216 30.974 > 73 81 P 0.30201641173165 0.36855520807305 0.70066818742216 30.974 > 73 82 P 0.80201641173165 0.36855520807305 0.70066818742216 30.974 > 73 83 P 0.30201641173165 0.70188854140638 0.70066818742216 30.974 > 73 84 P 0.80201641173165 0.70188854140638 0.70066818742216 30.974 > 73 85 P 0.19798358826835 0.20188854140638 0.04933181257784 30.974 > 85 86 P 0.69798358826835 0.20188854140638 0.04933181257784 30.974 > 85 87 P 0.19798358826835 0.53522187473972 0.04933181257784 30.974 > 85 88 P 0.69798358826835 0.53522187473972 0.04933181257784 30.974 > 85 89 P 0.19798358826835 0.86855520807305 0.04933181257784 30.974 > 85 90 P 0.69798358826835 0.86855520807305 0.04933181257784 30.974 > 85 91 P 0.19798358826835 0.20188854140638 0.54933181257784 30.974 > 85 92 P 0.69798358826835 0.20188854140638 0.54933181257784 30.974 > 85 93 P 0.19798358826835 0.53522187473972 0.54933181257784 30.974 > 85 94 P 0.69798358826835 0.53522187473972 0.54933181257784 30.974 > 85 95 P 0.19798358826835 0.86855520807305 0.54933181257784 30.974 > 85 96 P 0.69798358826835 0.86855520807305 0.54933181257784 30.974 > 85 97 Cd 0.00000000000000 0.16666666666667 0.25000000000000 112.411 > 97 98 Cd 0.50000000000000 0.16666666666667 0.25000000000000 112.411 > 97 99 Cd 0.00000000000000 0.50000000000000 0.25000000000000 112.411 > 97 100 Cd 0.50000000000000 0.50000000000000 0.25000000000000 112.411 > 97 101 Cd 0.00000000000000 0.83333333333333 0.25000000000000 112.411 > 97 102 Cd 0.50000000000000 0.83333333333333 0.25000000000000 112.411 > 97 103 Cd 0.00000000000000 0.16666666666667 0.75000000000000 112.411 > 97 104 Cd 0.50000000000000 0.16666666666667 0.75000000000000 112.411 > 97 105 Cd 0.00000000000000 0.50000000000000 0.75000000000000 112.411 > 97 106 Cd 0.50000000000000 0.50000000000000 0.75000000000000 112.411 > 97 107 Cd 0.00000000000000 0.83333333333333 0.75000000000000 112.411 > 97 108 Cd 0.50000000000000 0.83333333333333 0.75000000000000 112.411 > 97 109 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 109 110 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 109 111 Cd 0.00000000000000 0.33333333333333 0.00000000000000 112.411 > 109 112 Cd 0.50000000000000 0.33333333333333 0.00000000000000 112.411 > 109 113 Cd 0.00000000000000 0.66666666666667 0.00000000000000 112.411 > 109 114 Cd 0.50000000000000 0.66666666666667 0.00000000000000 112.411 > 109 115 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 109 116 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 109 117 Cd 0.00000000000000 0.33333333333333 0.50000000000000 112.411 > 109 118 Cd 0.50000000000000 0.33333333333333 0.50000000000000 112.411 > 109 119 Cd 0.00000000000000 0.66666666666667 0.50000000000000 112.411 > 109 120 Cd 0.50000000000000 0.66666666666667 0.50000000000000 112.411 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.9874026 0.0000000 -0.8955521 0.0000000 34.6530466 0.0000000 -0.8955449 0.0000000 14.9036841 -------------------------- Born effective charges -------------------------- 1 P -0.4653772 0.5168574 -0.1687044 0.9321390 0.7930259 0.2290400 -0.2392344 -0.0728197 0.2210659 2 P -0.4653772 -0.5168574 -0.1687044 -0.9321390 0.7930259 -0.2290400 -0.2392344 0.0728197 0.2210659 3 P -1.2538553 -0.3722360 0.0962142 0.6085640 -2.1293739 0.7783281 0.3790109 0.1390225 -1.5850317 4 P -1.2538553 0.3722360 0.0962142 -0.6085640 -2.1293739 -0.7783281 0.3790109 -0.1390225 -1.5850317 5 P -1.2538553 -0.3722360 0.0962142 0.6085640 -2.1293739 0.7783281 0.3790109 0.1390225 -1.5850317 6 P -1.2538553 0.3722360 0.0962142 -0.6085640 -2.1293739 -0.7783281 0.3790109 -0.1390225 -1.5850317 7 P -0.4653772 -0.5168574 -0.1687044 -0.9321390 0.7930259 -0.2290400 -0.2392344 0.0728197 0.2210659 8 P -0.4653772 0.5168574 -0.1687044 0.9321390 0.7930259 0.2290400 -0.2392344 -0.0728197 0.2210659 9 Cd 3.4384649 -0.2432431 0.1449803 -0.6460845 2.6726961 -0.0799291 -0.2795529 0.3532698 2.7279316 10 Cd 3.4384649 0.2432431 0.1449803 0.6460845 2.6726961 0.0799291 -0.2795529 -0.3532698 2.7279316 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 7 ] 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: 0.71, Number of G-points: 299, Lambda: 0.34 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-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 0.943 ( 0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.879 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.633 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.383 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 11.453 ( 0.000 0.000 0.000) 0.000 11.700 ( 0.000 0.000 0.000) 0.000 12.005 ( 0.000 0.000 0.000) 0.000 12.184 ( 0.000 0.000 0.000) 0.000 12.967 ( 0.000 0.000 0.000) 0.000 12.993 ( 0.000 0.000 0.000) 0.000 13.557 ( 0.000 0.000 0.000) 0.000 13.597 ( 0.000 0.000 0.000) 0.000 13.988 ( 0.000 0.000 0.000) 0.000 14.005 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/216) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 18.553 0.000 -2.554) 18.728 0.565 ( 22.960 0.000 5.692) 23.655 0.944 ( 42.902 0.000 10.492) 44.167 1.005 ( 8.407 0.000 0.300) 8.412 1.550 ( 5.200 0.000 4.076) 6.607 2.326 ( 0.101 0.000 0.849) 0.855 2.453 ( -3.710 0.000 -6.273) 7.288 2.877 ( -6.397 0.000 -4.325) 7.722 4.325 ( 8.273 0.000 -1.260) 8.369 4.399 ( 2.339 0.000 14.658) 14.844 4.558 ( 6.178 0.000 -11.067) 12.675 4.685 ( 0.430 0.000 -7.028) 7.041 6.093 ( 7.423 0.000 6.139) 9.633 6.867 ( -1.365 0.000 1.219) 1.830 6.907 ( -0.568 0.000 3.661) 3.705 7.149 ( -3.634 0.000 -7.415) 8.258 7.650 ( 1.973 0.000 -2.387) 3.097 7.975 ( -2.004 0.000 0.578) 2.086 8.362 ( -3.946 0.000 3.191) 5.075 8.524 ( 3.397 0.000 -0.174) 3.402 11.443 ( -1.222 0.000 0.726) 1.421 11.674 ( -2.636 0.000 -0.179) 2.642 11.991 ( -1.498 0.000 0.511) 1.583 12.174 ( -0.894 0.000 -0.737) 1.159 12.949 ( -1.860 0.000 0.615) 1.959 12.984 ( -1.552 0.000 -4.361) 4.629 13.579 ( 2.110 0.000 0.368) 2.142 13.620 ( -0.391 0.000 -0.028) 0.392 13.974 ( -1.196 0.000 -1.887) 2.234 14.031 ( 2.449 0.000 1.305) 2.775 ======================= Grid point 2 (3/216) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 17.277 0.000 -3.572) 17.642 0.813 ( 4.701 0.000 1.284) 4.873 1.326 ( 20.776 0.000 3.264) 21.031 1.398 ( 4.751 0.000 2.943) 5.589 2.021 ( 38.823 0.000 9.268) 39.914 2.331 ( -0.052 0.000 0.947) 0.948 2.338 ( -6.641 0.000 -0.287) 6.647 2.725 ( -6.689 0.000 -5.450) 8.628 4.418 ( -3.456 0.000 10.199) 10.768 4.519 ( 10.775 0.000 -0.525) 10.788 4.668 ( 0.420 0.000 -5.397) 5.413 4.757 ( 15.507 0.000 -5.572) 16.478 6.315 ( 12.537 0.000 10.164) 16.139 6.839 ( -1.603 0.000 0.003) 1.603 6.880 ( -6.374 0.000 11.744) 13.362 7.049 ( -0.922 0.000 -17.639) 17.663 7.684 ( 2.205 0.000 -3.594) 4.216 7.931 ( -2.542 0.000 0.672) 2.629 8.268 ( -6.188 0.000 -0.024) 6.188 8.605 ( 4.813 0.000 -0.082) 4.814 11.413 ( -2.071 0.000 1.229) 2.408 11.605 ( -4.225 0.000 -0.254) 4.232 11.954 ( -2.410 0.000 0.815) 2.544 12.147 ( -1.549 0.000 -1.191) 1.954 12.906 ( -2.769 0.000 0.933) 2.922 12.925 ( -3.285 0.000 -2.611) 4.197 13.611 ( -0.516 0.000 0.170) 0.543 13.633 ( 3.145 0.000 0.672) 3.216 13.933 ( -2.117 0.000 -3.261) 3.887 14.099 ( 3.821 0.000 1.998) 4.312 ======================= Grid point 3 (4/216) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 1.151 0.000 -0.542) 1.272 0.983 ( 14.730 0.000 -4.671) 15.453 1.444 ( 1.122 0.000 1.763) 2.090 1.681 ( 13.894 0.000 3.364) 14.295 2.194 ( -7.901 0.000 3.151) 8.506 2.315 ( -1.934 0.000 -0.944) 2.152 2.634 ( -0.642 0.000 -2.897) 2.967 2.784 ( 35.156 0.000 7.335) 35.913 4.367 ( -3.881 0.000 4.809) 6.179 4.583 ( -2.940 0.000 -1.151) 3.157 4.783 ( 11.224 0.000 -2.773) 11.561 5.055 ( 15.838 0.000 -0.992) 15.869 6.609 ( 13.147 0.000 13.646) 18.949 6.719 ( -11.905 0.000 6.444) 13.537 6.815 ( 0.319 0.000 -4.350) 4.361 7.035 ( 3.229 0.000 -12.182) 12.603 7.694 ( -0.535 0.000 -3.771) 3.809 7.888 ( -2.060 0.000 0.466) 2.112 8.139 ( -6.562 0.000 -1.071) 6.649 8.695 ( 4.331 0.000 0.068) 4.332 11.375 ( -2.200 0.000 1.298) 2.555 11.521 ( -4.243 0.000 -0.218) 4.248 11.909 ( -2.383 0.000 0.801) 2.514 12.111 ( -1.636 0.000 -1.189) 2.023 12.851 ( -3.477 0.000 -1.844) 3.936 12.856 ( -2.580 0.000 0.877) 2.725 13.604 ( -0.271 0.000 0.516) 0.583 13.695 ( 2.913 0.000 0.734) 3.004 13.877 ( -2.433 0.000 -3.653) 4.389 14.179 ( 3.673 0.000 1.879) 4.126 ======================= Grid point 4 (5/216) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.019 0.000 -0.960) 0.960 1.204 ( 9.105 0.000 -4.274) 10.059 1.474 ( 1.650 0.000 1.475) 2.213 1.868 ( 5.184 0.000 2.284) 5.665 2.060 ( -6.629 0.000 2.930) 7.247 2.267 ( -1.845 0.000 -1.777) 2.562 2.663 ( 2.788 0.000 -0.518) 2.836 3.369 ( 22.780 0.000 4.808) 23.282 4.312 ( -2.573 0.000 1.849) 3.168 4.493 ( -5.402 0.000 -1.258) 5.547 4.962 ( 7.211 0.000 -0.989) 7.278 5.324 ( 11.403 0.000 0.275) 11.407 6.515 ( -9.624 0.000 2.089) 9.848 6.754 ( -0.801 0.000 5.575) 5.632 6.951 ( 13.395 0.000 0.747) 13.415 7.065 ( 2.355 0.000 -5.628) 6.101 7.621 ( -5.862 0.000 -3.459) 6.807 7.858 ( -1.129 0.000 0.219) 1.150 8.038 ( -3.200 0.000 -0.814) 3.301 8.763 ( 2.519 0.000 0.093) 2.521 11.343 ( -1.430 0.000 0.839) 1.658 11.452 ( -2.660 0.000 -0.120) 2.663 11.874 ( -1.454 0.000 0.490) 1.534 12.081 ( -1.041 0.000 -0.733) 1.273 12.790 ( -2.206 0.000 -1.009) 2.426 12.818 ( -1.531 0.000 0.520) 1.617 13.604 ( 0.065 0.000 0.652) 0.655 13.742 ( 1.713 0.000 0.475) 1.777 13.825 ( -1.772 0.000 -2.617) 3.160 14.242 ( 2.205 0.000 1.110) 2.469 ======================= Grid point 5 (6/216) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 0.000 0.000 0.000) 0.000 1.285 ( 0.000 0.000 -0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.992 ( -0.000 0.000 -0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.694 ( -0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 -0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 -0.000) 0.000 5.032 ( 0.000 0.000 -0.000) 0.000 5.445 ( -0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 -0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.120 ( 0.000 0.000 -0.000) 0.000 7.522 ( -0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 8.009 ( 0.000 0.000 -0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 11.330 ( 0.000 0.000 -0.000) 0.000 11.426 ( 0.000 0.000 0.000) 0.000 11.860 ( 0.000 0.000 -0.000) 0.000 12.070 ( 0.000 0.000 0.000) 0.000 12.767 ( 0.000 0.000 -0.000) 0.000 12.804 ( 0.000 0.000 0.000) 0.000 13.607 ( 0.000 0.000 -0.000) 0.000 13.760 ( 0.000 0.000 0.000) 0.000 13.802 ( 0.000 0.000 0.000) 0.000 14.265 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/216) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 22.761 0.000) 22.761 0.602 ( 0.000 28.339 0.000) 28.339 0.843 ( 0.000 23.379 0.000) 23.379 1.157 ( 0.000 26.804 0.000) 26.804 1.247 ( 0.000 13.348 0.000) 13.348 2.471 ( 0.000 0.683 0.000) 0.683 2.554 ( 0.000 8.221 0.000) 8.221 2.971 ( 0.000 -0.520 0.000) 0.520 4.069 ( 0.000 -2.549 0.000) 2.549 4.321 ( 0.000 6.925 0.000) 6.925 4.489 ( 0.000 14.069 0.000) 14.069 4.511 ( 0.000 -2.250 0.000) 2.250 6.031 ( 0.000 2.087 0.000) 2.087 6.635 ( 0.000 -13.882 0.000) 13.882 7.065 ( 0.000 -12.432 0.000) 12.432 7.124 ( 0.000 11.209 0.000) 11.209 7.748 ( 0.000 8.907 0.000) 8.907 8.076 ( 0.000 2.197 0.000) 2.197 8.332 ( 0.000 -4.483 0.000) 4.483 8.492 ( 0.000 -0.277 0.000) 0.277 11.474 ( 0.000 2.047 0.000) 2.047 11.710 ( 0.000 1.147 0.000) 1.147 12.004 ( 0.000 -0.070 0.000) 0.070 12.164 ( 0.000 -2.035 0.000) 2.035 12.877 ( 0.000 -8.157 0.000) 8.157 12.972 ( 0.000 -2.790 0.000) 2.790 13.611 ( 0.000 1.355 0.000) 1.355 13.719 ( 0.000 -0.050 0.000) 0.050 13.990 ( 0.000 0.218 0.000) 0.218 14.030 ( 0.000 2.236 0.000) 2.236 ======================= Grid point 12 (8/216) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 8.899 21.567 -8.247) 24.746 0.727 ( 12.899 16.072 3.848) 20.964 1.002 ( 9.492 2.588 4.861) 10.974 1.180 ( 7.381 9.106 2.314) 11.948 1.595 ( 26.350 23.586 5.798) 35.836 2.435 ( -2.310 4.155 -0.136) 4.755 2.522 ( -3.416 8.178 -0.533) 8.879 2.913 ( -5.030 2.351 -2.641) 6.149 4.231 ( 11.720 -14.272 1.606) 18.537 4.318 ( 2.276 2.620 -1.585) 3.816 4.455 ( -3.584 0.050 10.269) 10.876 4.658 ( 12.718 10.698 -9.764) 19.275 6.113 ( 7.369 2.130 5.765) 9.595 6.629 ( -1.162 -13.952 2.885) 14.295 7.007 ( -5.434 -10.545 -1.207) 11.924 7.136 ( 1.712 9.881 -4.633) 11.047 7.756 ( 1.045 8.399 -1.916) 8.678 8.037 ( -3.229 3.529 0.704) 4.835 8.313 ( -2.047 -3.537 -0.245) 4.094 8.531 ( 3.665 -0.348 -0.352) 3.698 11.461 ( -1.437 1.890 0.842) 2.519 11.687 ( -2.299 1.475 -0.126) 2.734 11.991 ( -1.363 0.029 0.488) 1.448 12.155 ( -0.721 -1.848 -0.822) 2.148 12.873 ( -0.659 -7.669 0.306) 7.703 12.957 ( -1.361 -2.271 -0.962) 2.817 13.604 ( -0.650 1.634 0.781) 1.924 13.702 ( -0.809 2.368 -0.848) 2.642 13.975 ( -1.283 0.153 -1.790) 2.207 14.050 ( 1.856 1.651 1.296) 2.802 ======================= Grid point 13 (9/216) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 6.533 7.594 -5.700) 11.526 0.931 ( 8.679 12.629 0.634) 15.337 1.270 ( 10.792 -6.835 3.897) 13.356 1.353 ( 13.667 2.143 2.484) 14.055 2.159 ( 24.871 10.604 7.991) 28.193 2.415 ( -5.244 8.456 5.208) 11.230 2.434 ( 3.033 8.737 -6.529) 11.320 2.803 ( -4.281 7.899 -1.193) 9.063 4.372 ( 0.982 -10.779 -0.504) 10.835 4.423 ( -0.319 -3.715 3.636) 5.208 4.452 ( 10.742 -7.831 2.630) 13.551 4.887 ( 13.030 8.723 -5.700) 16.685 6.326 ( 11.605 0.880 8.530) 14.430 6.611 ( -2.004 -13.152 6.414) 14.769 6.862 ( -8.347 -9.933 -4.827) 13.843 7.158 ( 2.429 10.012 -6.622) 12.247 7.765 ( 0.214 6.483 -2.363) 6.904 7.985 ( -2.184 4.856 0.596) 5.358 8.254 ( -3.722 -0.660 -1.143) 3.949 8.614 ( 4.756 0.083 -0.252) 4.763 11.427 ( -2.402 1.441 1.297) 3.087 11.629 ( -3.423 2.566 -0.086) 4.279 11.959 ( -2.011 0.496 0.725) 2.195 12.132 ( -1.371 -1.485 -1.277) 2.390 12.850 ( -1.760 -5.945 0.689) 6.238 12.915 ( -2.531 -0.939 -1.473) 3.076 13.600 ( -0.004 1.052 0.863) 1.361 13.700 ( 0.791 3.050 -0.114) 3.152 13.933 ( -2.223 0.018 -3.090) 3.807 14.104 ( 3.091 0.396 1.881) 3.640 ======================= Grid point 14 (10/216) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 1.157 0.997 -2.723) 3.122 1.114 ( 9.964 10.142 -3.726) 14.698 1.373 ( 2.926 -5.652 2.454) 6.821 1.674 ( 13.808 -0.392 3.107) 14.159 2.254 ( -8.152 3.918 1.489) 9.167 2.344 ( 0.018 5.036 -0.990) 5.132 2.662 ( 4.222 2.297 1.082) 4.927 2.921 ( 21.931 12.963 4.742) 25.914 4.324 ( -4.014 -5.048 2.911) 7.076 4.437 ( -0.467 -10.395 -2.002) 10.597 4.697 ( 13.319 -6.537 1.691) 14.933 5.105 ( 10.915 2.928 -2.388) 11.551 6.514 ( -0.417 -12.183 6.902) 14.008 6.634 ( 1.694 -7.350 5.504) 9.337 6.701 ( -0.816 -4.079 -1.976) 4.606 7.182 ( 2.051 8.810 -7.760) 11.918 7.745 ( -1.359 5.067 -1.965) 5.602 7.954 ( -1.469 5.856 0.211) 6.042 8.178 ( -3.289 4.311 -1.829) 5.722 8.702 ( 4.237 0.256 0.032) 4.245 11.382 ( -2.614 0.922 1.195) 3.018 11.566 ( -3.018 4.409 0.113) 5.344 11.924 ( -1.828 1.387 0.677) 2.393 12.098 ( -1.571 -1.258 -1.250) 2.369 12.815 ( -2.016 -4.345 0.824) 4.860 12.857 ( -2.826 0.459 -1.462) 3.215 13.605 ( 0.093 0.720 0.898) 1.155 13.726 ( 1.672 2.132 0.375) 2.735 13.876 ( -2.483 -0.063 -3.454) 4.254 14.172 ( 3.165 -0.796 1.768) 3.712 ======================= Grid point 15 (11/216) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.011 -0.214 -1.695) 1.708 1.255 ( 5.531 4.137 -3.608) 7.793 1.431 ( 2.557 -3.520 1.745) 4.688 1.861 ( 5.089 -0.664 2.300) 5.624 2.118 ( -5.455 4.168 0.257) 6.870 2.333 ( -0.520 7.920 -1.223) 8.031 2.710 ( 1.984 3.592 1.949) 4.542 3.354 ( 17.922 -0.561 3.306) 18.233 4.265 ( -2.514 -4.752 1.843) 5.683 4.387 ( -3.606 -8.795 -1.827) 9.679 4.927 ( 9.178 -3.389 0.241) 9.786 5.285 ( 8.061 -3.895 -0.021) 8.953 6.397 ( -9.101 -11.205 3.743) 14.912 6.589 ( -0.340 -15.892 -5.178) 16.718 6.897 ( 9.810 0.715 10.667) 14.509 7.172 ( -0.948 4.339 -7.664) 8.858 7.715 ( -0.787 9.269 -1.693) 9.455 7.919 ( -2.147 5.364 0.124) 5.779 8.130 ( -1.211 8.731 -1.273) 8.906 8.768 ( 2.470 0.275 0.108) 2.487 11.341 ( -1.751 0.630 0.666) 1.976 11.521 ( -1.642 6.260 0.199) 6.474 11.897 ( -1.050 2.312 0.402) 2.571 12.069 ( -1.068 -1.269 -0.770) 1.828 12.783 ( -1.426 -3.193 0.556) 3.540 12.808 ( -1.755 1.098 -0.921) 2.265 13.610 ( 0.151 0.767 0.820) 1.133 13.757 ( 1.195 1.164 0.257) 1.688 13.824 ( -1.726 -0.001 -2.414) 2.968 14.227 ( 1.967 -1.528 1.050) 2.703 ======================= Grid point 16 (12/216) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.000 -0.383 0.000) 0.383 1.301 ( 0.000 1.473 -0.000) 1.473 1.464 ( 0.000 -3.112 0.000) 3.112 1.907 ( 0.000 -0.714 -0.000) 0.714 2.065 ( 0.000 4.626 0.000) 4.626 2.325 ( 0.000 9.570 0.000) 9.570 2.737 ( -0.000 3.239 0.000) 3.239 3.546 ( 0.000 -5.860 -0.000) 5.860 4.246 ( 0.000 -4.119 0.000) 4.119 4.334 ( 0.000 -7.827 0.000) 7.827 5.018 ( 0.000 -1.295 -0.000) 1.295 5.375 ( -0.000 -6.925 0.000) 6.925 6.300 ( 0.000 -11.249 -0.000) 11.249 6.580 ( 0.000 -16.120 0.000) 16.120 7.062 ( 0.000 1.381 0.000) 1.381 7.101 ( -0.000 -1.345 -0.000) 1.345 7.707 ( 0.000 14.256 0.000) 14.256 7.893 ( 0.000 4.403 0.000) 4.403 8.118 ( 0.000 9.998 0.000) 9.998 8.792 ( 0.000 0.273 0.000) 0.273 11.325 ( 0.000 0.582 -0.000) 0.582 11.505 ( 0.000 7.033 0.000) 7.033 11.888 ( 0.000 2.712 -0.000) 2.712 12.057 ( 0.000 -1.330 0.000) 1.330 12.769 ( 0.000 -2.394 0.000) 2.394 12.789 ( 0.000 0.858 -0.000) 0.858 13.613 ( 0.000 0.773 -0.000) 0.773 13.768 ( 0.000 0.733 0.000) 0.733 13.803 ( 0.000 0.149 0.000) 0.149 14.248 ( 0.000 -1.764 0.000) 1.764 ======================= Grid point 22 (13/216) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 7.744 0.000) 7.744 1.020 ( 0.000 4.786 0.000) 4.786 1.084 ( 0.000 20.720 0.000) 20.720 1.645 ( 0.000 24.075 0.000) 24.075 1.844 ( 0.000 30.161 0.000) 30.161 2.463 ( 0.000 -2.030 0.000) 2.030 2.803 ( 0.000 17.028 0.000) 17.028 3.046 ( 0.000 11.005 0.000) 11.005 4.034 ( 0.000 -1.013 0.000) 1.013 4.378 ( 0.000 -3.254 0.000) 3.254 4.565 ( 0.000 9.164 0.000) 9.164 4.818 ( 0.000 18.320 0.000) 18.320 6.089 ( 0.000 3.655 0.000) 3.655 6.348 ( 0.000 -15.394 0.000) 15.394 6.806 ( 0.000 -12.750 0.000) 12.750 7.321 ( 0.000 8.366 0.000) 8.366 7.916 ( 0.000 7.580 0.000) 7.580 8.141 ( 0.000 4.394 0.000) 4.394 8.230 ( 0.000 -5.473 0.000) 5.473 8.469 ( 0.000 -1.948 0.000) 1.948 11.528 ( 0.000 3.264 0.000) 3.264 11.754 ( 0.000 3.512 0.000) 3.512 12.004 ( 0.000 0.166 0.000) 0.166 12.106 ( 0.000 -3.821 0.000) 3.821 12.677 ( 0.000 -11.631 0.000) 11.631 12.882 ( 0.000 -6.342 0.000) 6.342 13.644 ( 0.000 1.857 0.000) 1.857 13.719 ( 0.000 0.050 0.000) 0.050 13.997 ( 0.000 0.480 0.000) 0.480 14.076 ( 0.000 2.133 0.000) 2.133 ======================= Grid point 23 (14/216) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 6.491 5.914 0.515) 8.796 0.997 ( 0.074 4.771 -3.958) 6.200 1.143 ( 4.816 17.089 2.465) 17.925 1.504 ( -5.577 22.185 -1.108) 22.902 2.089 ( 14.371 18.735 5.998) 24.362 2.482 ( 2.890 0.910 -2.537) 3.951 2.771 ( -3.067 16.817 -2.208) 17.236 3.045 ( -0.367 14.226 3.782) 14.724 4.081 ( 4.104 -3.668 2.473) 6.035 4.357 ( -1.497 -2.167 -4.431) 5.154 4.511 ( -4.898 9.301 8.872) 13.755 4.894 ( 7.506 11.538 -8.000) 15.921 6.166 ( 5.948 1.884 5.240) 8.148 6.347 ( 0.370 -13.858 0.833) 13.888 6.759 ( -4.603 -12.233 -0.431) 13.078 7.324 ( 0.766 7.926 -3.100) 8.545 7.912 ( -0.509 6.822 -0.515) 6.860 8.115 ( -1.869 3.901 -0.257) 4.334 8.246 ( 1.170 -2.326 0.284) 2.619 8.509 ( 3.973 -1.791 -0.817) 4.433 11.511 ( -1.770 3.117 0.810) 3.675 11.740 ( -1.358 4.099 0.109) 4.319 11.992 ( -1.118 0.101 0.412) 1.196 12.105 ( -0.061 -3.187 -0.963) 3.330 12.682 ( 0.434 -11.178 0.131) 11.187 12.883 ( 0.047 -5.451 -0.280) 5.458 13.641 ( -0.535 2.008 1.546) 2.591 13.723 ( 0.549 0.462 -0.751) 1.039 13.980 ( -1.436 0.442 -1.522) 2.139 14.084 ( 0.713 1.521 0.863) 1.889 ======================= Grid point 24 (15/216) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -1.354 5.774 -4.099) 7.209 1.111 ( 7.766 -2.201 -1.087) 8.145 1.263 ( 6.179 12.501 2.655) 14.195 1.503 ( 5.758 12.262 0.878) 13.575 2.284 ( 3.383 1.844 6.113) 7.226 2.562 ( 3.042 3.292 -2.246) 5.014 2.696 ( -0.917 18.298 -5.053) 19.005 3.084 ( 3.623 20.837 7.231) 22.352 4.171 ( 3.013 -7.125 2.118) 8.020 4.316 ( -0.344 -4.181 -5.696) 7.074 4.481 ( -0.227 5.627 8.842) 10.483 5.018 ( 7.419 3.910 -6.479) 10.598 6.247 ( -0.152 -12.598 3.289) 13.021 6.415 ( 4.640 -6.799 0.871) 8.277 6.657 ( -4.287 -6.031 4.708) 8.770 7.326 ( 0.744 6.331 -5.875) 8.669 7.892 ( -1.139 6.386 -0.461) 6.503 8.086 ( -1.044 4.190 -0.295) 4.328 8.274 ( 1.948 3.434 -1.197) 4.125 8.599 ( 5.225 -1.429 -0.279) 5.424 11.470 ( -2.747 2.939 1.161) 4.187 11.710 ( -1.624 5.695 0.401) 5.936 11.971 ( -1.064 0.581 0.417) 1.282 12.093 ( -0.779 -2.184 -1.339) 2.677 12.689 ( 0.161 -9.886 0.289) 9.892 12.878 ( -0.586 -3.297 -0.559) 3.395 13.636 ( -0.462 2.207 1.919) 2.961 13.736 ( 1.039 0.980 -0.479) 1.507 13.936 ( -2.405 0.376 -2.637) 3.589 14.109 ( 1.486 -0.027 1.408) 2.048 ======================= Grid point 25 (16/216) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -1.133 2.835 -3.727) 4.818 1.215 ( 3.970 -3.485 -1.887) 5.609 1.373 ( 4.446 9.149 1.918) 10.352 1.686 ( 10.416 2.229 1.446) 10.749 2.286 ( -4.318 0.199 2.067) 4.792 2.530 ( -0.392 8.799 -2.761) 9.231 2.735 ( 1.942 8.420 2.029) 8.876 3.232 ( 8.787 17.344 4.553) 19.969 4.177 ( -1.983 -7.367 0.826) 7.674 4.291 ( -1.544 -5.736 -4.680) 7.562 4.600 ( 9.821 -2.360 6.417) 11.966 5.126 ( 5.216 -0.864 -3.182) 6.170 6.230 ( -2.499 -16.040 5.562) 17.160 6.341 ( -8.321 -18.692 -9.919) 22.738 6.752 ( 8.014 5.624 14.159) 17.214 7.303 ( -1.290 3.714 -7.381) 8.362 7.885 ( 0.950 8.532 -0.800) 8.622 8.067 ( -0.890 5.151 -0.624) 5.264 8.309 ( 2.052 8.439 -1.585) 8.829 8.695 ( 4.490 -1.016 0.217) 4.609 11.421 ( -2.567 3.192 1.004) 4.218 11.686 ( -0.949 7.735 0.680) 7.823 11.957 ( -0.425 1.760 0.256) 1.828 12.068 ( -1.410 -1.546 -1.247) 2.436 12.688 ( -0.399 -8.297 0.397) 8.316 12.857 ( -1.270 -0.968 -0.686) 1.738 13.635 ( -0.217 2.178 1.712) 2.779 13.758 ( 1.206 1.060 -0.034) 1.606 13.878 ( -2.546 0.386 -2.946) 3.913 14.147 ( 1.850 -1.802 1.419) 2.947 ======================= Grid point 26 (17/216) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -0.527 1.538 -2.391) 2.891 1.268 ( 2.157 -4.341 -1.041) 4.958 1.442 ( 2.305 6.640 0.769) 7.071 1.841 ( 4.842 -1.239 1.049) 5.107 2.177 ( -5.318 2.229 -0.899) 5.836 2.578 ( 4.910 12.655 -3.131) 13.930 2.755 ( -1.033 3.265 6.211) 7.092 3.397 ( 6.544 5.633 1.232) 8.722 4.141 ( -1.506 -7.003 2.387) 7.550 4.227 ( -3.226 -6.931 -4.724) 8.987 4.840 ( 12.081 -5.216 3.023) 13.502 5.187 ( 1.475 -5.444 -0.346) 5.651 6.116 ( -10.001 -17.170 1.363) 19.918 6.224 ( -0.421 -19.838 -4.567) 20.361 6.948 ( 7.432 3.853 12.412) 14.971 7.229 ( -3.775 2.290 -8.179) 9.294 7.925 ( 3.229 10.574 -0.626) 11.074 8.041 ( -1.750 6.913 -0.849) 7.181 8.337 ( 1.134 11.252 -0.915) 11.346 8.764 ( 2.560 -0.741 0.254) 2.677 11.383 ( -1.481 3.773 0.559) 4.092 11.678 ( -0.237 9.454 0.570) 9.475 11.956 ( 0.200 3.353 0.113) 3.361 12.036 ( -1.366 -1.687 -0.786) 2.309 12.679 ( -0.508 -7.128 0.307) 7.153 12.831 ( -1.073 0.648 -0.494) 1.347 13.638 ( -0.026 2.030 1.196) 2.356 13.778 ( 0.749 0.861 -0.040) 1.141 13.828 ( -1.627 0.515 -1.982) 2.615 14.182 ( 1.289 -3.082 0.875) 3.454 ======================= Grid point 27 (18/216) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 0.000 1.294 0.000) 1.294 1.288 ( 0.000 -4.433 0.000) 4.433 1.465 ( 0.000 5.590 -0.000) 5.590 1.885 ( 0.000 -1.620 -0.000) 1.620 2.121 ( 0.000 1.940 0.000) 1.940 2.635 ( 0.000 20.735 -0.000) 20.735 2.747 ( 0.000 -4.048 0.000) 4.048 3.465 ( 0.000 -0.310 0.000) 0.310 4.146 ( 0.000 -5.604 0.000) 5.604 4.166 ( 0.000 -8.436 0.000) 8.436 4.991 ( 0.000 -1.201 0.000) 1.201 5.187 ( -0.000 -11.905 -0.000) 11.905 6.006 ( 0.000 -17.935 -0.000) 17.935 6.215 ( 0.000 -19.432 0.000) 19.432 7.091 ( 0.000 0.672 0.000) 0.672 7.127 ( -0.000 4.265 -0.000) 4.265 7.981 ( -0.000 12.807 0.000) 12.807 8.001 ( 0.000 6.102 0.000) 6.102 8.346 ( 0.000 12.130 0.000) 12.130 8.790 ( 0.000 -0.651 0.000) 0.651 11.370 ( 0.000 4.076 -0.000) 4.076 11.677 ( 0.000 10.139 0.000) 10.139 11.960 ( 0.000 4.653 -0.000) 4.653 12.019 ( 0.000 -2.436 0.000) 2.436 12.674 ( 0.000 -6.717 0.000) 6.717 12.819 ( 0.000 1.196 -0.000) 1.196 13.640 ( 0.000 1.933 -0.000) 1.933 13.784 ( 0.000 0.757 0.000) 0.757 13.810 ( 0.000 0.599 0.000) 0.599 14.196 ( 0.000 -3.529 0.000) 3.529 ======================= Grid point 33 (19/216) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 4.834 0.000) 4.834 1.097 ( 0.000 3.041 0.000) 3.041 1.422 ( 0.000 14.403 0.000) 14.403 2.077 ( 0.000 18.569 0.000) 18.569 2.167 ( 0.000 2.514 0.000) 2.514 2.423 ( 0.000 0.240 0.000) 0.240 3.189 ( 0.000 21.317 0.000) 21.317 3.437 ( 0.000 26.149 0.000) 26.149 4.036 ( 0.000 1.369 0.000) 1.369 4.287 ( 0.000 -5.402 0.000) 5.402 4.738 ( 0.000 6.930 0.000) 6.930 5.153 ( 0.000 14.382 0.000) 14.382 6.048 ( 0.000 -14.392 0.000) 14.392 6.148 ( 0.000 0.954 0.000) 0.954 6.634 ( 0.000 -2.454 0.000) 2.454 7.415 ( 0.000 0.222 0.000) 0.222 8.031 ( 0.000 4.213 0.000) 4.213 8.141 ( 0.000 -3.014 0.000) 3.014 8.240 ( 0.000 5.288 0.000) 5.288 8.425 ( 0.000 -2.282 0.000) 2.282 11.600 ( 0.000 4.208 0.000) 4.208 11.849 ( 0.000 5.961 0.000) 5.961 12.018 ( 0.000 -4.949 0.000) 4.949 12.019 ( 0.000 1.848 0.000) 1.848 12.444 ( 0.000 -11.788 0.000) 11.788 12.726 ( 0.000 -9.533 0.000) 9.533 13.680 ( 0.000 1.764 0.000) 1.764 13.722 ( 0.000 0.208 0.000) 0.208 14.010 ( 0.000 0.928 0.000) 0.928 14.103 ( 0.000 0.508 0.000) 0.508 ======================= Grid point 34 (20/216) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 2.773 2.557 0.740) 3.844 1.079 ( -1.547 3.419 -1.294) 3.970 1.450 ( 2.631 13.540 0.551) 13.804 1.926 ( -9.047 18.917 -3.097) 21.197 2.227 ( 1.197 -2.101 6.435) 6.875 2.490 ( 5.550 0.427 -3.054) 6.349 3.165 ( -1.682 22.191 -3.546) 22.536 3.460 ( 1.389 24.658 5.286) 25.257 4.050 ( 0.979 0.213 3.208) 3.361 4.285 ( -0.007 -4.303 -3.684) 5.665 4.730 ( -2.350 10.585 6.429) 12.605 5.082 ( -3.957 8.003 -8.501) 12.328 6.001 ( -3.461 -14.793 1.769) 15.295 6.216 ( 3.270 -5.403 -1.256) 6.439 6.633 ( 0.236 2.244 5.630) 6.066 7.410 ( -0.220 0.112 -2.279) 2.292 8.019 ( -0.912 4.303 0.284) 4.407 8.137 ( 0.510 -0.634 -5.111) 5.175 8.282 ( 3.503 4.789 3.285) 6.783 8.468 ( 4.131 -2.162 -0.113) 4.664 11.584 ( -1.710 4.342 0.528) 4.696 11.846 ( -0.243 6.501 0.385) 6.517 11.986 ( -1.452 -1.779 0.051) 2.297 12.052 ( 1.530 -0.657 -0.669) 1.794 12.456 ( 1.229 -11.490 -0.039) 11.556 12.742 ( 1.493 -8.956 0.132) 9.080 13.679 ( -0.334 1.884 1.769) 2.606 13.729 ( 0.828 0.252 -0.583) 1.043 13.994 ( -1.494 0.976 -1.099) 2.096 14.101 ( -0.235 0.105 0.443) 0.512 ======================= Grid point 35 (21/216) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -2.146 2.043 -2.087) 3.624 1.070 ( 3.261 -0.030 0.489) 3.298 1.512 ( 3.147 11.665 1.621) 12.190 1.789 ( -3.565 15.637 -1.842) 16.143 2.255 ( -0.008 -4.325 5.872) 7.293 2.555 ( 1.644 -2.845 -2.718) 4.264 3.116 ( -1.719 23.444 -4.552) 23.944 3.510 ( 1.419 20.052 6.937) 21.265 4.084 ( 0.758 -2.238 4.235) 4.850 4.252 ( -1.520 -2.658 -7.399) 8.007 4.666 ( -5.826 12.930 6.285) 15.513 5.036 ( 2.248 -1.421 -6.244) 6.787 5.941 ( -3.058 -16.841 -0.739) 17.132 6.170 ( -7.472 -16.066 -1.731) 17.803 6.725 ( 6.091 9.377 11.303) 15.899 7.389 ( -1.151 -0.140 -3.986) 4.151 8.014 ( 0.823 5.859 -1.182) 6.034 8.139 ( 1.304 2.007 -3.780) 4.474 8.375 ( 5.040 5.655 1.283) 7.683 8.564 ( 5.380 -2.003 0.660) 5.778 11.546 ( -2.254 4.878 0.753) 5.426 11.846 ( 0.092 7.809 0.810) 7.852 11.966 ( -0.518 -1.728 -0.432) 1.855 12.071 ( 0.659 0.955 -0.667) 1.338 12.484 ( 1.470 -10.727 0.015) 10.827 12.775 ( 1.721 -7.305 0.089) 7.506 13.680 ( -0.314 2.160 2.350) 3.208 13.748 ( 1.202 0.301 -0.420) 1.308 13.950 ( -2.461 1.112 -1.914) 3.310 14.099 ( -0.138 -1.058 0.807) 1.338 ======================= Grid point 36 (22/216) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -2.724 2.872 -2.905) 4.910 1.132 ( 2.325 -3.877 0.517) 4.550 1.572 ( 2.344 10.214 3.149) 10.942 1.783 ( 2.702 7.757 -2.121) 8.484 2.262 ( -1.271 -2.948 3.846) 5.010 2.545 ( -1.224 -4.457 0.179) 4.626 3.082 ( -0.266 23.331 -4.012) 23.675 3.546 ( 0.048 13.752 5.964) 14.990 4.074 ( -2.646 -3.585 0.813) 4.529 4.196 ( -1.971 -3.734 -8.374) 9.379 4.616 ( 0.416 3.665 4.904) 6.136 5.090 ( 2.981 -1.914 -0.315) 3.556 5.871 ( -3.378 -21.061 -10.784) 23.902 5.981 ( -10.751 -16.681 7.393) 21.178 6.890 ( 6.591 8.190 12.152) 16.069 7.340 ( -2.395 0.209 -5.104) 5.642 8.045 ( 2.663 7.224 -1.373) 7.821 8.160 ( 1.867 4.430 -3.254) 5.805 8.469 ( 4.270 7.097 0.311) 8.288 8.665 ( 4.652 -1.823 0.989) 5.094 11.509 ( -1.683 5.797 0.664) 6.073 11.856 ( 0.635 9.111 1.040) 9.192 11.961 ( 0.092 -2.052 -0.774) 2.195 12.075 ( 0.123 3.418 -0.491) 3.456 12.507 ( 0.846 -9.827 0.116) 9.864 12.801 ( 0.934 -5.060 -0.052) 5.145 13.682 ( -0.231 2.411 2.118) 3.217 13.770 ( 1.168 0.277 -0.118) 1.206 13.894 ( -2.518 1.321 -2.149) 3.564 14.102 ( 0.197 -2.688 0.917) 2.847 ======================= Grid point 37 (23/216) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -1.195 2.146 -2.015) 3.177 1.162 ( 0.873 -5.544 0.444) 5.630 1.623 ( 1.924 10.772 2.784) 11.291 1.835 ( 2.613 1.524 -1.870) 3.556 2.215 ( -3.776 1.300 -0.122) 3.995 2.550 ( 1.196 -8.952 3.222) 9.589 3.079 ( 0.805 23.443 -2.438) 23.583 3.549 ( -1.043 8.787 3.554) 9.536 4.024 ( -1.902 -4.751 0.882) 5.193 4.112 ( -3.614 -4.841 -7.899) 9.945 4.728 ( 8.975 -6.181 4.268) 11.704 5.095 ( -3.797 -4.100 1.059) 5.688 5.719 ( -6.113 -21.636 -9.725) 24.496 5.885 ( -3.107 -14.683 6.738) 16.451 7.039 ( 5.104 5.285 10.359) 12.700 7.269 ( -3.100 1.544 -6.133) 7.043 8.094 ( 2.358 6.798 -0.152) 7.197 8.182 ( 1.269 6.852 -2.704) 7.475 8.534 ( 2.323 8.302 0.087) 8.621 8.739 ( 2.654 -1.664 0.664) 3.202 11.487 ( -0.780 6.675 0.378) 6.731 11.873 ( 0.648 9.786 0.797) 9.840 11.962 ( 0.201 -2.840 -0.679) 2.927 12.075 ( 0.015 6.230 -0.238) 6.235 12.517 ( 0.203 -9.149 0.126) 9.152 12.811 ( 0.201 -3.146 -0.100) 3.154 13.684 ( -0.129 2.514 1.347) 2.855 13.788 ( 0.692 0.226 -0.047) 0.730 13.848 ( -1.568 1.540 -1.474) 2.646 14.110 ( 0.299 -4.112 0.616) 4.169 ======================= Grid point 38 (24/216) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.000 1.827 0.000) 1.827 1.171 ( 0.000 -6.449 0.000) 6.449 1.650 ( 0.000 12.027 -0.000) 12.027 1.858 ( 0.000 -0.437 -0.000) 0.437 2.167 ( 0.000 2.759 0.000) 2.759 2.575 ( 0.000 -12.070 0.000) 12.070 3.086 ( 0.000 24.434 0.000) 24.434 3.542 ( 0.000 6.786 0.000) 6.786 4.019 ( 0.000 -6.482 0.000) 6.482 4.046 ( 0.000 -4.168 0.000) 4.168 4.924 ( 0.000 -14.587 0.000) 14.587 4.959 ( -0.000 -3.274 -0.000) 3.274 5.645 ( 0.000 -17.118 -0.000) 17.118 5.867 ( 0.000 -15.419 0.000) 15.419 7.128 ( 0.000 2.894 0.000) 2.894 7.205 ( -0.000 3.386 -0.000) 3.386 8.119 ( 0.000 5.862 0.000) 5.862 8.190 ( 0.000 8.307 0.000) 8.307 8.556 ( 0.000 8.782 0.000) 8.782 8.766 ( 0.000 -1.603 0.000) 1.603 11.480 ( 0.000 7.033 -0.000) 7.033 11.881 ( 0.000 9.916 0.000) 9.916 11.963 ( 0.000 -3.313 0.000) 3.313 12.075 ( 0.000 7.600 -0.000) 7.600 12.518 ( 0.000 -8.908 -0.000) 8.908 12.812 ( 0.000 -2.406 0.000) 2.406 13.685 ( 0.000 2.510 0.000) 2.510 13.795 ( 0.000 0.265 0.000) 0.265 13.830 ( 0.000 1.589 0.000) 1.589 14.114 ( 0.000 -4.667 0.000) 4.667 ======================= Grid point 44 (25/216) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.000 4.028 0.000) 4.028 1.131 ( 0.000 0.336 0.000) 0.336 1.669 ( 0.000 11.383 0.000) 11.383 2.069 ( 0.000 -8.800 0.000) 8.800 2.348 ( 0.000 9.257 0.000) 9.257 2.459 ( 0.000 1.532 0.000) 1.532 3.598 ( 0.000 19.678 0.000) 19.678 3.910 ( 0.000 18.350 0.000) 18.350 4.085 ( 0.000 3.299 0.000) 3.299 4.164 ( 0.000 -7.298 0.000) 7.298 4.845 ( 0.000 5.988 0.000) 5.988 5.278 ( 0.000 -4.464 0.000) 4.464 5.870 ( 0.000 -1.035 0.000) 1.035 6.093 ( 0.000 -5.733 0.000) 5.733 6.749 ( 0.000 12.539 0.000) 12.539 7.310 ( 0.000 -10.578 0.000) 10.578 8.090 ( 0.000 2.001 0.000) 2.001 8.117 ( 0.000 -0.036 0.000) 0.036 8.328 ( 0.000 3.434 0.000) 3.434 8.391 ( 0.000 -1.159 0.000) 1.159 11.695 ( 0.000 5.418 0.000) 5.418 11.916 ( 0.000 -5.436 0.000) 5.436 11.962 ( 0.000 5.146 0.000) 5.146 12.104 ( 0.000 7.451 0.000) 7.451 12.230 ( 0.000 -9.793 0.000) 9.793 12.518 ( 0.000 -11.420 0.000) 11.420 13.709 ( 0.000 1.147 0.000) 1.147 13.726 ( 0.000 0.130 0.000) 0.130 14.034 ( 0.000 1.502 0.000) 1.502 14.096 ( 0.000 -1.079 0.000) 1.079 ======================= Grid point 45 (26/216) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -0.115 3.111 0.289) 3.126 1.118 ( -1.255 0.451 -0.435) 1.403 1.686 ( 1.451 10.990 0.876) 11.120 2.070 ( 0.144 -7.311 -1.428) 7.450 2.261 ( -7.260 10.269 3.461) 13.044 2.484 ( 1.032 -1.493 -1.308) 2.237 3.587 ( -0.929 19.998 -0.612) 20.029 3.870 ( -3.210 14.323 -0.625) 14.692 4.078 ( -1.268 1.926 4.833) 5.355 4.195 ( 2.811 -4.718 -6.283) 8.345 4.884 ( 3.186 6.539 4.554) 8.582 5.194 ( -8.205 0.742 -3.110) 8.806 5.772 ( -7.522 -5.379 -0.413) 9.256 6.041 ( -6.391 -10.682 -1.554) 12.545 6.811 ( 4.966 13.220 5.669) 15.217 7.318 ( 0.508 -9.110 0.712) 9.152 8.088 ( 0.653 2.818 -1.674) 3.343 8.135 ( 2.678 0.223 -7.283) 7.763 8.366 ( 3.240 3.338 3.999) 6.134 8.433 ( 3.825 -1.310 1.544) 4.328 11.683 ( -1.129 5.736 0.088) 5.846 11.906 ( -0.558 -4.613 -0.990) 4.751 11.975 ( 0.847 5.165 0.890) 5.309 12.118 ( 1.398 7.054 0.032) 7.191 12.248 ( 1.721 -9.341 0.058) 9.498 12.541 ( 2.168 -11.310 0.410) 11.523 13.711 ( -0.025 1.290 1.404) 1.906 13.733 ( 0.701 0.047 -0.151) 0.719 14.019 ( -1.400 1.622 -0.616) 2.230 14.088 ( -0.828 -1.323 0.118) 1.565 ======================= Grid point 46 (27/216) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.674 1.311 0.001) 1.474 1.087 ( -1.461 0.341 -0.250) 1.521 1.724 ( 1.851 10.247 2.396) 10.685 2.039 ( -3.150 4.049 -4.755) 6.994 2.166 ( -3.003 0.971 7.846) 8.457 2.471 ( -1.876 -5.709 -1.065) 6.103 3.564 ( -0.692 21.044 -2.981) 21.266 3.807 ( -3.564 9.769 2.715) 10.748 4.061 ( -2.116 -0.696 3.425) 4.086 4.199 ( 0.056 -3.524 -10.019) 10.621 4.941 ( -8.890 13.025 5.039) 16.555 5.009 ( 0.449 0.227 -2.297) 2.351 5.638 ( -6.118 -12.325 -3.531) 14.206 5.849 ( -12.053 -16.059 2.092) 20.188 6.940 ( 5.480 11.717 8.306) 15.373 7.324 ( -0.200 -6.214 0.232) 6.222 8.112 ( 2.677 4.042 -3.728) 6.115 8.173 ( 3.697 1.167 -6.937) 7.947 8.464 ( 5.258 3.196 3.336) 6.999 8.529 ( 5.156 -1.412 2.437) 5.876 11.659 ( -1.246 6.507 0.110) 6.626 11.896 ( -0.156 -4.498 -1.297) 4.684 11.995 ( 0.933 6.229 1.195) 6.411 12.155 ( 2.323 7.291 -0.096) 7.652 12.287 ( 2.101 -8.569 0.230) 8.825 12.596 ( 3.179 -10.769 0.538) 11.241 13.717 ( 0.098 1.607 1.885) 2.478 13.749 ( 1.016 -0.133 0.086) 1.028 13.980 ( -2.314 1.939 -1.045) 3.195 14.068 ( -1.285 -2.047 0.267) 2.432 ======================= Grid point 47 (28/216) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -2.681 1.881 -1.040) 3.436 1.074 ( -0.387 -2.164 0.841) 2.354 1.769 ( 1.676 9.969 5.223) 11.379 1.961 ( -2.333 8.657 -4.854) 10.195 2.176 ( 0.668 -4.644 6.684) 8.167 2.415 ( -3.510 -8.355 0.063) 9.063 3.546 ( 0.316 22.198 -5.799) 22.945 3.752 ( -3.648 7.339 6.379) 10.386 4.014 ( -3.358 -2.656 0.285) 4.291 4.138 ( -2.491 -3.091 -11.951) 12.592 4.717 ( -9.738 6.412 -0.163) 11.661 5.068 ( -0.800 -2.089 4.347) 4.888 5.482 ( -6.634 -14.741 -10.603) 19.332 5.685 ( -6.230 -13.870 10.147) 18.280 7.057 ( 4.004 8.538 8.399) 12.628 7.310 ( -1.088 -3.360 -1.055) 3.686 8.160 ( 3.165 4.672 -2.785) 6.293 8.229 ( 3.890 2.040 -5.496) 7.036 8.572 ( 4.838 3.400 1.961) 6.230 8.633 ( 4.615 -1.298 2.154) 5.256 11.640 ( -0.657 7.332 0.075) 7.362 11.891 ( 0.039 -4.610 -1.241) 4.774 12.017 ( 0.900 6.821 1.180) 6.980 12.203 ( 2.702 8.668 -0.257) 9.083 12.322 ( 1.326 -7.966 0.392) 8.085 12.656 ( 2.764 -9.638 0.403) 10.034 13.725 ( 0.117 1.957 1.686) 2.585 13.770 ( 0.983 -0.340 0.203) 1.060 13.930 ( -2.369 2.335 -1.123) 3.511 14.044 ( -1.187 -3.136 0.392) 3.376 ======================= Grid point 48 (29/216) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -1.983 2.056 -0.822) 2.973 1.064 ( -0.857 -4.283 0.873) 4.454 1.828 ( 2.346 9.497 8.009) 12.643 1.922 ( -0.251 6.913 -6.679) 9.616 2.207 ( 0.363 -2.417 2.627) 3.588 2.352 ( -2.857 -10.214 2.009) 10.795 3.543 ( 1.354 22.097 -5.942) 22.922 3.706 ( -3.249 6.632 6.776) 10.022 3.948 ( -2.722 -2.876 -1.213) 4.142 4.047 ( -2.893 -1.743 -9.582) 10.160 4.616 ( -1.161 -4.237 2.886) 5.257 4.941 ( -10.605 -14.504 -1.939) 18.072 5.417 ( 1.313 -5.402 -3.523) 6.581 5.635 ( -2.503 -10.971 6.593) 13.042 7.145 ( 2.720 5.323 6.665) 8.953 7.278 ( -1.525 -0.775 -2.490) 3.021 8.206 ( 2.030 4.773 -1.088) 5.300 8.278 ( 2.479 2.487 -3.247) 4.783 8.651 ( 2.800 3.758 0.896) 4.771 8.710 ( 2.676 -1.147 1.195) 3.147 11.633 ( -0.152 7.894 0.032) 7.895 11.889 ( 0.044 -4.576 -0.769) 4.640 12.034 ( 0.555 6.865 0.741) 6.927 12.251 ( 2.142 10.521 -0.296) 10.741 12.338 ( 0.270 -8.056 0.385) 8.070 12.698 ( 1.487 -8.372 0.188) 8.505 13.731 ( 0.044 2.225 1.000) 2.440 13.786 ( 0.597 -0.517 0.116) 0.798 13.889 ( -1.478 2.663 -0.741) 3.135 14.027 ( -0.664 -4.195 0.322) 4.259 ======================= Grid point 49 (30/216) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 1.746 0.000) 1.746 1.055 ( 0.000 -5.150 0.000) 5.150 1.889 ( 0.000 11.093 0.000) 11.093 1.893 ( 0.000 4.241 -0.000) 4.241 2.206 ( 0.000 0.458 0.000) 0.458 2.330 ( 0.000 -11.816 0.000) 11.816 3.552 ( 0.000 21.570 0.000) 21.570 3.681 ( 0.000 6.493 0.000) 6.493 3.919 ( 0.000 -3.062 0.000) 3.062 3.998 ( 0.000 -0.611 0.000) 0.611 4.646 ( 0.000 -12.543 -0.000) 12.543 4.790 ( 0.000 -14.416 0.000) 14.416 5.434 ( 0.000 -3.172 -0.000) 3.172 5.621 ( 0.000 -9.905 0.000) 9.905 7.192 ( 0.000 3.272 0.000) 3.272 7.250 ( 0.000 1.005 -0.000) 1.005 8.224 ( 0.000 4.745 0.000) 4.745 8.297 ( 0.000 2.607 0.000) 2.607 8.680 ( 0.000 3.925 0.000) 3.925 8.738 ( 0.000 -1.087 0.000) 1.087 11.632 ( 0.000 8.084 -0.000) 8.084 11.888 ( 0.000 -4.525 -0.000) 4.525 12.041 ( 0.000 6.817 0.000) 6.817 12.273 ( 0.000 12.180 0.000) 12.180 12.340 ( 0.000 -9.047 -0.000) 9.047 12.713 ( 0.000 -7.806 0.000) 7.806 13.733 ( 0.000 2.319 0.000) 2.319 13.792 ( 0.000 -0.580 0.000) 0.580 13.873 ( 0.000 2.788 -0.000) 2.788 14.022 ( 0.000 -4.642 0.000) 4.642 ======================= Grid point 55 (31/216) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.000 -2.379 0.000) 2.379 1.110 ( 0.000 2.379 0.000) 2.379 1.879 ( 0.000 -10.251 0.000) 10.251 1.879 ( 0.000 10.251 0.000) 10.251 2.455 ( 0.000 -2.282 0.000) 2.282 2.455 ( 0.000 2.283 0.000) 2.283 3.929 ( 0.000 -13.379 0.000) 13.379 3.929 ( 0.000 13.379 0.000) 13.379 4.125 ( 0.000 -0.849 0.000) 0.849 4.125 ( 0.000 0.849 0.000) 0.849 5.049 ( 0.000 -14.329 0.000) 14.329 5.049 ( 0.000 14.329 0.000) 14.329 5.961 ( 0.000 -7.167 0.000) 7.167 5.961 ( 0.000 7.167 0.000) 7.167 7.041 ( 0.000 -15.693 0.000) 15.693 7.041 ( 0.000 15.693 0.000) 15.693 8.114 ( 0.000 -0.580 0.000) 0.580 8.114 ( 0.000 0.580 0.000) 0.580 8.372 ( 0.000 -1.206 0.000) 1.206 8.372 ( 0.000 1.206 0.000) 1.206 11.806 ( 0.000 -5.807 0.000) 5.807 11.806 ( 0.000 5.807 0.000) 5.807 12.069 ( 0.000 -6.544 0.000) 6.544 12.069 ( 0.000 6.544 0.000) 6.544 12.294 ( 0.000 -11.129 0.000) 11.129 12.294 ( 0.000 11.129 0.000) 11.129 13.724 ( 0.000 -0.372 0.000) 0.372 13.724 ( 0.000 0.372 0.000) 0.372 14.067 ( 0.000 -1.743 0.000) 1.743 14.067 ( 0.000 1.743 0.000) 1.743 ======================= Grid point 57 (32/216) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -1.076 -2.161 0.019) 2.415 1.099 ( -1.076 2.161 0.019) 2.415 1.890 ( 0.956 -10.038 0.791) 10.114 1.890 ( 0.956 10.038 0.791) 10.114 2.419 ( -3.700 -5.480 0.290) 6.619 2.419 ( -3.700 5.480 0.290) 6.619 3.903 ( -2.722 -10.659 3.039) 11.413 3.903 ( -2.722 10.659 3.039) 11.413 4.124 ( 0.464 -3.338 -6.540) 7.357 4.124 ( 0.464 3.338 -6.540) 7.357 5.060 ( 0.332 -11.075 3.919) 11.753 5.060 ( 0.332 11.075 3.919) 11.753 5.837 ( -11.314 -9.190 -2.411) 14.774 5.837 ( -11.314 9.190 -2.411) 14.774 7.085 ( 3.271 -13.841 3.535) 14.655 7.085 ( 3.271 13.841 3.535) 14.655 8.128 ( 2.310 -1.196 -5.366) 5.963 8.128 ( 2.310 1.196 -5.366) 5.963 8.411 ( 3.303 -1.395 3.290) 4.866 8.411 ( 3.303 1.395 3.290) 4.866 11.800 ( -0.531 -5.946 -0.427) 5.985 11.800 ( -0.531 5.946 -0.427) 5.985 12.083 ( 1.324 -6.479 0.185) 6.615 12.083 ( 1.324 6.479 0.185) 6.615 12.315 ( 2.103 -11.232 0.497) 11.438 12.315 ( 2.103 11.232 0.497) 11.438 13.729 ( 0.367 -0.514 0.622) 0.886 13.729 ( 0.367 0.514 0.622) 0.886 14.055 ( -1.181 -1.909 -0.204) 2.254 14.055 ( -1.181 1.909 -0.204) 2.254 ======================= Grid point 59 (33/216) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -1.641 -1.577 0.131) 2.280 1.073 ( -1.641 1.577 0.131) 2.280 1.917 ( 1.382 -9.435 1.906) 9.725 1.917 ( 1.382 9.435 1.906) 9.725 2.328 ( -5.431 -8.930 0.744) 10.478 2.328 ( -5.431 8.930 0.744) 10.478 3.860 ( -2.731 -6.511 4.059) 8.144 3.860 ( -2.731 6.511 4.059) 8.144 4.091 ( -1.134 -5.660 -10.111) 11.643 4.091 ( -1.134 5.660 -10.111) 11.643 5.057 ( -3.393 -2.190 3.206) 5.156 5.057 ( -3.393 2.190 3.206) 5.156 5.584 ( -12.203 -8.462 -0.468) 14.857 5.584 ( -12.203 8.462 -0.468) 14.857 7.159 ( 2.679 -10.249 4.544) 11.527 7.159 ( 2.679 10.249 4.544) 11.527 8.169 ( 3.883 -1.692 -6.566) 7.814 8.169 ( 3.883 1.692 -6.566) 7.814 8.505 ( 5.047 -1.358 3.729) 6.420 8.505 ( 5.047 1.358 3.729) 6.420 11.788 ( -0.446 -6.333 -0.658) 6.383 11.788 ( -0.446 6.333 -0.658) 6.383 12.115 ( 1.738 -6.656 0.324) 6.887 12.115 ( 1.738 6.656 0.324) 6.887 12.371 ( 3.378 -11.537 0.685) 12.041 12.371 ( 3.378 11.537 0.685) 12.041 13.741 ( 0.600 -0.804 0.959) 1.388 13.741 ( 0.600 0.804 0.959) 1.388 14.023 ( -1.953 -2.372 -0.296) 3.087 14.023 ( -1.953 2.372 -0.296) 3.087 ======================= Grid point 61 (34/216) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -2.111 -1.698 0.306) 2.726 1.038 ( -2.111 1.698 0.306) 2.726 1.953 ( 1.399 -8.112 3.183) 8.826 1.953 ( 1.399 8.112 3.183) 8.826 2.235 ( -4.061 -9.282 0.881) 10.170 2.235 ( -4.061 9.282 0.881) 10.170 3.823 ( -2.574 -2.415 3.522) 4.986 3.823 ( -2.574 2.415 3.522) 4.986 4.030 ( -1.329 -6.588 -10.549) 12.508 4.030 ( -1.329 6.588 -10.549) 12.508 4.896 ( -12.854 -12.129 -1.968) 17.782 4.896 ( -12.854 12.129 -1.968) 17.782 5.452 ( -2.447 -8.712 4.747) 10.219 5.452 ( -2.447 8.712 4.747) 10.219 7.210 ( 1.296 -6.720 3.762) 7.809 7.210 ( 1.296 6.720 3.762) 7.809 8.228 ( 3.867 -2.041 -4.926) 6.587 8.228 ( 3.867 2.041 -4.926) 6.587 8.612 ( 4.751 -1.151 2.648) 5.560 8.612 ( 4.751 1.151 2.648) 5.560 11.781 ( -0.091 -6.629 -0.645) 6.661 11.781 ( -0.091 6.629 -0.645) 6.661 12.147 ( 1.402 -7.082 0.362) 7.229 12.147 ( 1.402 7.082 0.362) 7.229 12.440 ( 3.358 -11.839 0.563) 12.319 12.440 ( 3.358 11.839 0.563) 12.319 13.756 ( 0.596 -1.132 0.875) 1.550 13.756 ( 0.596 1.132 0.875) 1.550 13.983 ( -2.000 -3.010 -0.228) 3.621 13.983 ( -2.000 3.010 -0.228) 3.621 ======================= Grid point 63 (35/216) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -2.021 -2.699 0.339) 3.389 0.997 ( -2.021 2.699 0.339) 3.389 1.984 ( 0.642 -4.591 2.778) 5.404 1.984 ( 0.642 4.591 2.778) 5.405 2.191 ( -0.866 -4.739 0.685) 4.866 2.191 ( -0.866 4.739 0.685) 4.866 3.783 ( -2.132 -0.969 1.286) 2.672 3.783 ( -2.132 0.969 1.286) 2.672 3.986 ( -0.421 -6.366 -6.740) 9.280 3.986 ( -0.421 6.366 -6.740) 9.280 4.647 ( -10.435 -9.944 -1.687) 14.512 4.647 ( -10.435 9.944 -1.687) 14.512 5.459 ( 0.520 -6.760 3.706) 7.727 5.459 ( 0.520 6.760 3.706) 7.727 7.235 ( 0.469 -3.592 2.088) 4.181 7.235 ( 0.469 3.592 2.088) 4.181 8.277 ( 2.342 -2.249 -2.476) 4.083 8.277 ( 2.342 2.249 -2.476) 4.083 8.693 ( 2.804 -0.985 1.299) 3.243 8.693 ( 2.804 0.985 1.299) 3.243 11.779 ( 0.084 -6.675 -0.400) 6.687 11.779 ( 0.084 6.675 -0.400) 6.687 12.169 ( 0.737 -7.402 0.243) 7.442 12.169 ( 0.737 7.402 0.243) 7.442 12.495 ( 2.073 -11.904 0.297) 12.087 12.495 ( 2.073 11.904 0.297) 12.087 13.767 ( 0.352 -1.416 0.474) 1.534 13.767 ( 0.352 1.416 0.474) 1.534 13.951 ( -1.252 -3.588 -0.082) 3.801 13.951 ( -1.252 3.588 -0.082) 3.801 ======================= Grid point 65 (36/216) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.000 -3.004 0.000) 3.004 0.976 ( 0.000 3.004 0.000) 3.004 1.993 ( 0.000 -3.019 -0.000) 3.019 1.993 ( 0.000 3.019 0.000) 3.019 2.189 ( 0.000 -0.283 0.000) 0.283 2.189 ( 0.000 0.283 0.000) 0.283 3.762 ( 0.000 -0.762 0.000) 0.762 3.762 ( 0.000 0.762 0.000) 0.762 3.972 ( 0.000 -5.321 0.000) 5.321 3.972 ( 0.000 5.321 -0.000) 5.321 4.538 ( 0.000 -5.263 0.000) 5.263 4.538 ( 0.000 5.263 0.000) 5.263 5.471 ( 0.000 -5.405 -0.000) 5.405 5.471 ( 0.000 5.405 0.000) 5.405 7.243 ( 0.000 -1.665 0.000) 1.665 7.243 ( 0.000 1.665 0.000) 1.665 8.297 ( 0.000 -2.305 0.000) 2.305 8.297 ( 0.000 2.305 0.000) 2.305 8.722 ( 0.000 -0.919 0.000) 0.919 8.722 ( 0.000 0.919 0.000) 0.919 11.780 ( 0.000 -6.646 -0.000) 6.646 11.780 ( 0.000 6.646 -0.000) 6.646 12.176 ( 0.000 -7.504 0.000) 7.504 12.176 ( 0.000 7.504 0.000) 7.504 12.516 ( 0.000 -11.868 0.000) 11.868 12.516 ( 0.000 11.868 0.000) 11.868 13.771 ( 0.000 -1.533 0.000) 1.533 13.771 ( 0.000 1.533 0.000) 1.533 13.938 ( 0.000 -3.824 -0.000) 3.824 13.938 ( 0.000 3.824 0.000) 3.824 ======================= Grid point 121 (37/216) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 15.709 0.000 20.919) 26.160 0.555 ( 1.855 0.000 23.417) 23.491 1.001 ( -1.044 0.000 7.440) 7.513 1.042 ( -6.064 0.000 47.183) 47.571 1.165 ( 3.801 0.000 6.442) 7.480 2.417 ( -0.467 0.000 8.936) 8.948 2.836 ( -10.666 0.000 7.388) 12.975 2.923 ( -4.651 0.000 -2.366) 5.218 4.014 ( 2.519 0.000 -7.988) 8.376 4.117 ( 8.560 0.000 -15.284) 17.518 4.229 ( 0.599 0.000 -2.909) 2.970 4.690 ( -3.492 0.000 9.359) 9.989 6.066 ( 3.916 0.000 4.408) 5.896 6.655 ( 3.169 0.000 -19.772) 20.024 6.881 ( 2.114 0.000 -4.054) 4.572 7.324 ( -5.132 0.000 6.809) 8.526 7.714 ( -3.475 0.000 7.088) 7.895 7.985 ( 0.711 0.000 -0.718) 1.011 8.503 ( -0.185 0.000 1.192) 1.207 8.522 ( 1.138 0.000 -0.058) 1.139 11.480 ( 0.442 0.000 2.557) 2.595 11.684 ( 0.006 0.000 -1.557) 1.557 12.002 ( 0.535 0.000 -0.105) 0.546 12.179 ( -0.626 0.000 -0.590) 0.860 12.974 ( 0.549 0.000 0.676) 0.871 13.085 ( -5.039 0.000 -0.591) 5.074 13.555 ( 0.422 0.000 -0.292) 0.513 13.582 ( 0.387 0.000 -1.423) 1.475 14.002 ( -1.945 0.000 1.249) 2.311 14.010 ( 1.289 0.000 0.508) 1.385 ======================= Grid point 122 (38/216) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 7.212 0.000 7.942) 10.728 0.835 ( 8.342 0.000 21.623) 23.176 1.123 ( 12.341 0.000 13.169) 18.048 1.276 ( 12.082 0.000 22.158) 25.238 1.499 ( 27.361 0.000 5.829) 27.975 2.429 ( -1.412 0.000 8.616) 8.731 2.655 ( -8.644 0.000 18.896) 20.779 2.783 ( -7.534 0.000 -4.187) 8.619 4.199 ( 12.610 0.000 -14.623) 19.309 4.292 ( 12.841 0.000 -14.027) 19.018 4.348 ( 10.500 0.000 -11.196) 15.349 4.678 ( -0.572 0.000 11.591) 11.605 6.223 ( 10.183 0.000 5.667) 11.653 6.655 ( 3.673 0.000 -21.364) 21.678 6.879 ( -0.807 0.000 0.047) 0.808 7.211 ( -8.314 0.000 5.366) 9.895 7.687 ( -1.438 0.000 5.621) 5.802 7.978 ( -1.276 0.000 -0.077) 1.278 8.437 ( -7.578 0.000 1.560) 7.737 8.530 ( 2.564 0.000 0.842) 2.699 11.482 ( -1.173 0.000 3.103) 3.318 11.654 ( -2.543 0.000 -1.857) 3.149 11.999 ( -0.952 0.000 0.462) 1.058 12.156 ( -1.377 0.000 -1.128) 1.780 12.967 ( -1.545 0.000 1.158) 1.931 12.975 ( -4.836 0.000 1.091) 4.958 13.583 ( 2.470 0.000 0.032) 2.470 13.588 ( 0.501 0.000 -2.394) 2.445 13.960 ( -2.673 0.000 0.221) 2.682 14.058 ( 3.255 0.000 1.471) 3.572 ======================= Grid point 123 (39/216) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 1.591 0.000 0.666) 1.725 0.995 ( 3.907 0.000 20.361) 20.733 1.425 ( 3.013 0.000 4.212) 5.179 1.480 ( 17.522 0.000 11.268) 20.832 2.196 ( 36.167 0.000 9.010) 37.272 2.392 ( -4.793 0.000 1.940) 5.171 2.579 ( -6.481 0.000 23.395) 24.276 2.671 ( -2.693 0.000 3.208) 4.188 4.393 ( 9.543 0.000 -15.135) 17.892 4.426 ( 3.213 0.000 -7.932) 8.558 4.489 ( 10.398 0.000 -7.082) 12.581 4.798 ( 10.648 0.000 8.169) 13.421 6.456 ( 11.956 0.000 1.694) 12.075 6.656 ( 2.957 0.000 -22.200) 22.396 6.871 ( -0.548 0.000 5.469) 5.497 7.060 ( -8.346 0.000 6.088) 10.331 7.687 ( -0.375 0.000 3.794) 3.812 7.942 ( -2.366 0.000 0.509) 2.420 8.286 ( -8.380 0.000 0.816) 8.419 8.597 ( 4.081 0.000 -0.622) 4.128 11.457 ( -2.353 0.000 3.069) 3.867 11.583 ( -4.003 0.000 -2.048) 4.497 11.971 ( -2.101 0.000 1.053) 2.350 12.122 ( -1.652 0.000 -1.358) 2.139 12.895 ( -3.899 0.000 -0.695) 3.961 12.927 ( -2.805 0.000 1.260) 3.075 13.588 ( 0.316 0.000 -2.221) 2.243 13.641 ( 3.316 0.000 0.121) 3.318 13.906 ( -2.944 0.000 0.222) 2.953 14.134 ( 3.885 0.000 1.629) 4.212 ======================= Grid point 124 (40/216) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.492 0.000 -0.246) 0.550 1.130 ( 4.864 0.000 11.887) 12.843 1.476 ( 1.292 0.000 4.069) 4.270 1.794 ( 11.488 0.000 7.484) 13.710 2.281 ( -5.246 0.000 -3.790) 6.472 2.479 ( -7.192 0.000 24.318) 25.359 2.695 ( 1.945 0.000 10.146) 10.330 2.906 ( 30.003 0.000 5.720) 30.544 4.406 ( -2.604 0.000 -0.531) 2.658 4.427 ( 0.614 0.000 -12.971) 12.985 4.731 ( 13.923 0.000 -3.488) 14.353 5.074 ( 14.699 0.000 2.430) 14.899 6.588 ( -4.157 0.000 -17.476) 17.964 6.632 ( 6.053 0.000 -8.952) 10.807 6.935 ( 5.353 0.000 14.542) 15.496 6.983 ( -0.595 0.000 4.283) 4.324 7.681 ( -1.834 0.000 2.568) 3.156 7.898 ( -2.224 0.000 0.667) 2.322 8.131 ( -7.433 0.000 -0.263) 7.438 8.671 ( 3.902 0.000 -2.419) 4.591 11.414 ( -2.869 0.000 2.543) 3.834 11.498 ( -3.905 0.000 -2.102) 4.435 11.930 ( -2.449 0.000 1.449) 2.845 12.089 ( -1.299 0.000 -1.159) 1.741 12.823 ( -3.193 0.000 -1.094) 3.376 12.874 ( -2.913 0.000 1.002) 3.081 13.587 ( 0.329 0.000 -1.955) 1.983 13.702 ( 2.813 0.000 -0.111) 2.815 13.857 ( -2.156 0.000 1.386) 2.563 14.207 ( 3.105 0.000 1.018) 3.267 ======================= Grid point 125 (41/216) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.660 0.000 0.723) 0.979 1.251 ( 4.737 0.000 5.644) 7.368 1.503 ( 0.268 0.000 2.751) 2.764 1.955 ( 2.985 0.000 6.593) 7.237 2.201 ( -0.971 0.000 -5.231) 5.321 2.406 ( -8.895 0.000 30.087) 31.375 2.771 ( 1.701 0.000 11.412) 11.538 3.391 ( 18.607 0.000 -2.449) 18.768 4.351 ( -3.048 0.000 2.152) 3.731 4.367 ( -2.282 0.000 -10.647) 10.888 4.949 ( 8.864 0.000 -0.868) 8.906 5.329 ( 10.547 0.000 -0.103) 10.548 6.425 ( -6.652 0.000 -10.797) 12.682 6.650 ( 0.509 0.000 -10.864) 10.876 7.040 ( 4.287 0.000 2.431) 4.928 7.128 ( 7.863 0.000 12.092) 14.423 7.619 ( -5.103 0.000 3.495) 6.185 7.865 ( -1.375 0.000 0.579) 1.492 8.025 ( -2.998 0.000 -0.713) 3.082 8.724 ( 2.515 0.000 -4.067) 4.782 11.369 ( -2.400 0.000 1.692) 2.937 11.430 ( -2.231 0.000 -1.989) 2.989 11.892 ( -1.904 0.000 1.489) 2.417 12.069 ( -0.398 0.000 -0.628) 0.743 12.774 ( -1.441 0.000 -0.667) 1.588 12.828 ( -2.039 0.000 0.512) 2.103 13.586 ( 0.125 0.000 -1.911) 1.915 13.742 ( 1.418 0.000 -0.580) 1.531 13.839 ( -0.371 0.000 3.533) 3.552 14.252 ( 1.292 0.000 -0.070) 1.294 ======================= Grid point 126 (42/216) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.881 0.000 2.287) 2.451 1.341 ( 2.985 0.000 4.033) 5.017 1.495 ( -1.924 0.000 0.766) 2.071 1.960 ( -3.310 0.000 4.123) 5.287 2.216 ( 3.072 0.000 -2.558) 3.998 2.338 ( -7.875 0.000 31.234) 32.211 2.810 ( -1.620 0.000 11.470) 11.584 3.534 ( -3.454 0.000 -7.597) 8.345 4.309 ( -2.004 0.000 1.863) 2.736 4.329 ( 2.877 0.000 -8.839) 9.295 5.045 ( 0.901 0.000 0.892) 1.268 5.434 ( -0.218 0.000 -1.259) 1.277 6.325 ( 0.475 0.000 -8.512) 8.525 6.608 ( -1.210 0.000 -12.161) 12.221 7.133 ( 3.885 0.000 4.792) 6.169 7.194 ( -5.691 0.000 5.385) 7.835 7.603 ( 3.712 0.000 8.188) 8.990 7.851 ( -0.269 0.000 0.418) 0.497 8.008 ( 0.993 0.000 -0.206) 1.014 8.739 ( 0.567 0.000 -5.084) 5.115 11.339 ( -0.990 0.000 0.827) 1.290 11.407 ( 0.473 0.000 -1.727) 1.790 11.870 ( -0.701 0.000 1.143) 1.341 12.071 ( 0.709 0.000 -0.003) 0.709 12.768 ( 0.951 0.000 0.112) 0.958 12.803 ( -0.534 0.000 -0.046) 0.536 13.581 ( 0.008 0.000 -1.649) 1.649 13.750 ( -0.314 0.000 -1.088) 1.132 13.865 ( 1.392 0.000 5.436) 5.611 14.253 ( -0.941 0.000 -1.260) 1.573 ======================= Grid point 127 (43/216) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -0.350 0.000 2.589) 2.613 1.386 ( -0.841 0.000 8.939) 8.979 1.424 ( -5.143 0.000 -1.116) 5.263 1.873 ( -7.135 0.000 2.551) 7.577 2.281 ( 3.791 0.000 0.202) 3.796 2.312 ( -3.897 0.000 25.572) 25.867 2.788 ( -3.858 0.000 12.091) 12.692 3.241 ( -22.828 0.000 -6.531) 23.744 4.280 ( -1.271 0.000 -1.585) 2.032 4.401 ( 6.173 0.000 -9.928) 11.691 4.992 ( -6.485 0.000 1.666) 6.696 5.322 ( -10.007 0.000 -0.073) 10.007 6.386 ( 7.723 0.000 -9.920) 12.572 6.514 ( -4.716 0.000 -15.124) 15.842 7.035 ( -9.819 0.000 5.497) 11.253 7.212 ( 2.261 0.000 8.383) 8.682 7.733 ( 4.720 0.000 7.642) 8.982 7.857 ( 0.819 0.000 0.220) 0.848 8.062 ( 4.615 0.000 1.790) 4.950 8.715 ( -1.376 0.000 -5.079) 5.262 11.339 ( 0.749 0.000 0.297) 0.806 11.437 ( 3.113 0.000 -1.406) 3.416 11.873 ( 0.738 0.000 0.550) 0.920 12.095 ( 1.579 0.000 0.471) 1.647 12.808 ( 1.122 0.000 -0.496) 1.227 12.809 ( 3.116 0.000 0.915) 3.247 13.579 ( 0.262 0.000 -1.167) 1.196 13.725 ( -1.855 0.000 -1.420) 2.336 13.918 ( 2.108 0.000 6.247) 6.593 14.210 ( -2.871 0.000 -2.181) 3.606 ======================= Grid point 128 (44/216) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -2.345 0.000 1.856) 2.990 1.263 ( -12.042 0.000 12.155) 17.110 1.393 ( -1.458 0.000 1.981) 2.459 1.684 ( -14.000 0.000 3.619) 14.460 2.328 ( -3.484 0.000 10.368) 10.937 2.347 ( 2.330 0.000 2.017) 3.082 2.704 ( -28.874 0.000 5.690) 29.429 2.775 ( -0.448 0.000 12.007) 12.015 4.241 ( -1.575 0.000 -7.663) 7.823 4.463 ( 3.390 0.000 -11.969) 12.440 4.825 ( -10.761 0.000 0.714) 10.785 5.100 ( -12.649 0.000 2.927) 12.983 6.334 ( -8.572 0.000 -14.074) 16.479 6.513 ( 8.435 0.000 -13.153) 15.626 6.903 ( -5.472 0.000 4.413) 7.030 7.276 ( 1.382 0.000 11.287) 11.371 7.799 ( 0.167 0.000 6.283) 6.285 7.882 ( 1.683 0.000 -0.040) 1.684 8.186 ( 6.636 0.000 3.870) 7.682 8.659 ( -2.818 0.000 -4.006) 4.897 11.367 ( 1.988 0.000 0.308) 2.011 11.510 ( 4.608 0.000 -1.151) 4.749 11.900 ( 1.894 0.000 -0.055) 1.895 12.130 ( 1.838 0.000 0.638) 1.946 12.841 ( 2.423 0.000 -0.685) 2.519 12.887 ( 4.356 0.000 1.648) 4.657 13.584 ( 0.527 0.000 -0.988) 1.120 13.674 ( -2.771 0.000 -1.435) 3.121 13.976 ( 1.721 0.000 5.971) 6.214 14.137 ( -3.797 0.000 -2.512) 4.553 ======================= Grid point 129 (45/216) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -5.482 0.000 2.014) 5.841 1.035 ( -16.315 0.000 12.853) 20.770 1.341 ( -5.693 0.000 4.305) 7.138 1.370 ( -19.316 0.000 7.341) 20.664 1.902 ( -34.324 0.000 -0.345) 34.326 2.379 ( 0.223 0.000 4.771) 4.776 2.562 ( 3.401 0.000 20.941) 21.216 2.851 ( 4.203 0.000 8.696) 9.658 4.167 ( -2.389 0.000 -14.107) 14.308 4.439 ( -2.737 0.000 -10.446) 10.799 4.607 ( -10.491 0.000 -7.609) 12.960 4.888 ( -10.403 0.000 6.344) 12.185 6.140 ( -7.008 0.000 -7.838) 10.514 6.608 ( 6.115 0.000 -16.068) 17.193 6.844 ( -1.747 0.000 0.848) 1.942 7.334 ( 0.635 0.000 11.772) 11.789 7.795 ( -2.310 0.000 6.860) 7.238 7.919 ( 2.194 0.000 -0.406) 2.231 8.316 ( 5.315 0.000 4.624) 7.045 8.589 ( -3.295 0.000 -2.145) 3.932 11.411 ( 2.248 0.000 0.819) 2.393 11.595 ( 4.434 0.000 -1.077) 4.563 11.941 ( 2.311 0.000 -0.436) 2.352 12.164 ( 1.366 0.000 0.464) 1.442 12.892 ( 2.941 0.000 -0.513) 2.986 12.979 ( 4.574 0.000 2.394) 5.162 13.590 ( 0.484 0.000 -1.322) 1.408 13.616 ( -2.762 0.000 -1.148) 2.991 14.016 ( 0.582 0.000 4.801) 4.836 14.060 ( -3.240 0.000 -2.053) 3.836 ======================= Grid point 130 (46/216) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -13.119 0.000 10.851) 17.024 0.658 ( -26.747 0.000 2.768) 26.890 1.083 ( -11.074 0.000 8.927) 14.224 1.166 ( -17.081 0.000 31.188) 35.559 1.369 ( -18.662 0.000 0.860) 18.682 2.397 ( -0.204 0.000 7.301) 7.304 2.751 ( 9.014 0.000 16.100) 18.451 2.944 ( 2.222 0.000 3.455) 4.108 4.087 ( 0.272 0.000 -16.895) 16.897 4.297 ( -10.334 0.000 -5.223) 11.580 4.351 ( -11.789 0.000 -22.121) 25.066 4.753 ( -6.250 0.000 8.275) 10.370 6.042 ( -1.756 0.000 -0.613) 1.860 6.648 ( 3.913 0.000 -18.059) 18.478 6.840 ( 1.671 0.000 -1.969) 2.582 7.361 ( -1.600 0.000 9.641) 9.773 7.761 ( -3.487 0.000 7.499) 8.270 7.959 ( 2.041 0.000 -0.771) 2.182 8.423 ( 4.884 0.000 5.509) 7.363 8.528 ( -2.452 0.000 -0.070) 2.453 11.453 ( 1.613 0.000 1.654) 2.310 11.662 ( 2.686 0.000 -1.242) 2.960 11.980 ( 1.797 0.000 -0.450) 1.853 12.182 ( 0.397 0.000 0.010) 0.397 12.944 ( 2.332 0.000 0.008) 2.332 13.072 ( 4.122 0.000 2.011) 4.586 13.569 ( -1.654 0.000 -0.715) 1.802 13.590 ( -0.097 0.000 -1.838) 1.841 14.010 ( -1.268 0.000 -0.885) 1.546 14.025 ( -0.926 0.000 2.979) 3.119 ======================= Grid point 131 (47/216) ======================= q-point: ( 0.00 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -0.054 16.115 6.526) 17.386 0.765 ( 1.571 12.974 11.651) 17.509 1.053 ( -2.019 6.165 11.555) 13.252 1.285 ( 0.188 13.487 5.659) 14.627 1.418 ( 1.992 29.176 27.267) 39.984 2.447 ( -0.364 2.315 3.781) 4.449 2.714 ( -3.059 -1.235 6.983) 7.723 3.023 ( -3.597 6.204 7.882) 10.656 4.006 ( 3.600 -0.103 -5.825) 6.848 4.191 ( 2.847 4.906 -15.590) 16.590 4.294 ( 3.037 6.779 -4.618) 8.747 4.740 ( -5.272 5.648 10.039) 12.667 6.087 ( 4.678 2.263 4.532) 6.895 6.459 ( 3.542 -14.178 -14.754) 20.766 7.013 ( 0.701 9.373 -5.180) 10.732 7.221 ( -5.196 -8.523 7.672) 12.589 7.801 ( -2.676 6.923 4.524) 8.692 8.040 ( 1.286 2.941 -2.786) 4.251 8.372 ( -0.685 -6.879 2.995) 7.534 8.509 ( -0.654 -0.420 1.468) 1.661 11.501 ( 0.442 2.088 2.611) 3.372 11.697 ( 0.016 1.380 -1.324) 1.912 11.998 ( 0.563 -0.319 -0.374) 0.747 12.160 ( -0.719 -1.940 -0.508) 2.130 12.884 ( 0.101 -8.108 0.760) 8.144 12.990 ( -1.096 -4.761 1.240) 5.040 13.593 ( 1.092 1.005 -1.735) 2.283 13.666 ( -0.248 3.069 -4.090) 5.120 13.997 ( -1.366 0.178 0.877) 1.633 14.050 ( 0.560 2.632 1.481) 3.071 ======================= Grid point 132 (48/216) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 6.277 3.915 8.453) 11.232 0.910 ( 7.954 5.010 10.131) 13.820 1.118 ( 7.702 4.515 10.188) 13.547 1.325 ( 2.332 5.286 12.577) 13.840 1.795 ( 24.463 24.934 14.852) 37.956 2.435 ( -2.007 0.891 4.277) 4.807 2.647 ( -6.028 1.160 4.613) 7.679 2.961 ( -4.628 13.568 11.454) 18.349 4.114 ( 7.284 -4.223 -10.771) 13.671 4.225 ( 6.662 -3.515 -8.067) 11.037 4.433 ( 10.499 7.619 -8.489) 15.503 4.718 ( 0.462 4.309 10.233) 11.113 6.240 ( 8.756 1.408 4.674) 10.025 6.483 ( 3.999 -13.122 -13.093) 18.963 7.004 ( -0.133 8.410 -4.581) 9.578 7.119 ( -7.358 -7.281 6.050) 11.990 7.773 ( -1.291 7.232 3.068) 7.962 8.028 ( -1.600 3.395 -1.218) 3.946 8.339 ( -3.739 -5.504 2.055) 6.964 8.531 ( 2.699 -0.647 0.429) 2.808 11.502 ( -1.330 1.951 3.130) 3.920 11.670 ( -2.168 1.843 -1.552) 3.241 11.996 ( -0.785 -0.249 0.192) 0.846 12.138 ( -1.270 -1.869 -1.079) 2.504 12.880 ( -0.784 -7.287 0.558) 7.351 12.957 ( -2.477 -2.993 0.548) 3.923 13.599 ( 0.006 1.995 -1.325) 2.395 13.657 ( 0.908 2.877 -2.934) 4.208 13.961 ( -2.491 0.310 0.387) 2.540 14.082 ( 2.217 1.804 1.737) 3.345 ======================= Grid point 133 (49/216) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 1.027 0.339 2.410) 2.641 1.055 ( 4.870 4.013 8.449) 10.546 1.363 ( 5.972 -3.035 9.416) 11.556 1.472 ( 13.872 1.324 8.930) 16.551 2.329 ( 22.310 9.652 8.988) 25.917 2.402 ( 0.265 2.376 -0.740) 2.503 2.522 ( -7.407 1.036 7.330) 10.472 2.952 ( -0.713 19.877 18.139) 26.919 4.217 ( 7.428 -10.188 -11.903) 17.340 4.330 ( 4.754 -7.703 -7.656) 11.856 4.564 ( 5.665 3.939 0.064) 6.900 4.861 ( 11.303 4.957 3.716) 12.889 6.376 ( 4.647 -9.086 -9.637) 14.037 6.569 ( 7.171 -4.781 -0.349) 8.625 6.963 ( -4.975 0.294 8.216) 9.609 7.020 ( -1.534 2.813 -4.614) 5.617 7.766 ( -0.682 6.701 2.167) 7.075 7.987 ( -2.093 4.080 -0.188) 4.590 8.250 ( -5.499 -2.271 0.186) 5.952 8.602 ( 4.336 0.130 -0.715) 4.396 11.471 ( -2.819 1.389 2.953) 4.312 11.613 ( -3.071 3.168 -1.553) 4.677 11.972 ( -1.718 0.150 0.788) 1.896 12.107 ( -1.465 -1.500 -1.298) 2.466 12.857 ( -1.637 -5.168 -0.026) 5.421 12.903 ( -3.176 -1.548 0.212) 3.539 13.595 ( 0.144 1.599 -1.479) 2.183 13.681 ( 2.067 2.168 -1.550) 3.373 13.909 ( -2.886 0.445 0.571) 2.976 14.140 ( 3.033 0.409 1.736) 3.518 ======================= Grid point 134 (50/216) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.145 -0.492 0.369) 0.632 1.166 ( 4.521 2.170 4.549) 6.771 1.440 ( 1.509 -1.837 6.983) 7.376 1.775 ( 12.204 -1.636 6.487) 13.918 2.276 ( -6.568 -0.183 -2.863) 7.168 2.459 ( -3.393 1.635 15.309) 15.766 2.749 ( 11.120 2.352 6.419) 13.053 3.091 ( 11.692 16.785 13.965) 24.768 4.291 ( 3.118 -10.508 -8.837) 14.080 4.337 ( -1.376 -6.806 -4.272) 8.153 4.724 ( 10.896 -0.240 0.435) 10.908 5.100 ( 11.690 1.343 1.332) 11.842 6.374 ( -0.476 -14.454 -15.389) 21.118 6.636 ( -1.802 -6.192 2.995) 7.110 6.981 ( 3.598 3.430 14.036) 14.890 7.007 ( 2.363 3.505 -7.316) 8.450 7.749 ( -1.802 6.025 2.323) 6.704 7.954 ( -1.407 5.146 -0.222) 5.340 8.150 ( -4.205 2.611 -1.356) 5.132 8.680 ( 3.952 0.601 -2.143) 4.536 11.418 ( -3.390 0.789 2.186) 4.110 11.552 ( -2.646 5.085 -1.387) 5.897 11.940 ( -1.889 0.963 1.148) 2.411 12.077 ( -1.214 -1.187 -1.034) 1.988 12.821 ( -1.834 -2.242 -0.717) 2.984 12.843 ( -3.041 -1.476 0.548) 3.424 13.594 ( 0.229 0.980 -1.879) 2.132 13.718 ( 2.101 1.176 -1.031) 2.619 13.862 ( -2.173 0.550 1.819) 2.886 14.200 ( 2.590 -0.749 1.140) 2.928 ======================= Grid point 135 (51/216) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.829 -0.514 1.057) 1.438 1.255 ( 3.821 -0.136 1.517) 4.114 1.476 ( 0.301 -1.755 4.074) 4.446 1.948 ( 3.662 -0.893 6.425) 7.449 2.170 ( -2.977 -1.788 -1.726) 3.878 2.456 ( -2.839 5.249 18.443) 19.384 2.854 ( -0.420 5.106 11.709) 12.781 3.390 ( 13.057 1.566 1.404) 13.225 4.269 ( -2.378 -7.744 -8.397) 11.667 4.302 ( -0.658 -5.582 0.725) 5.668 4.932 ( 9.160 -1.484 0.143) 9.280 5.293 ( 7.693 -3.653 0.233) 8.520 6.270 ( -4.716 -13.621 -12.103) 18.821 6.606 ( -1.167 -7.477 2.082) 7.848 7.001 ( 0.721 -0.370 -6.487) 6.538 7.141 ( 5.000 0.532 11.031) 12.123 7.728 ( -0.548 9.490 3.277) 10.055 7.922 ( -1.944 4.942 0.149) 5.312 8.098 ( -0.607 7.372 -2.116) 7.694 8.733 ( 2.445 0.745 -3.616) 4.428 11.365 ( -2.535 0.723 1.482) 3.024 11.507 ( -1.537 6.579 -1.494) 6.920 11.911 ( -1.425 1.896 1.165) 2.642 12.058 ( -0.415 -1.108 -0.438) 1.261 12.789 ( -1.037 1.140 -0.908) 1.789 12.796 ( -1.918 -3.108 0.789) 3.736 13.590 ( 0.036 0.558 -2.183) 2.253 13.748 ( 1.226 0.483 -1.095) 1.713 13.844 ( -0.512 0.519 3.780) 3.850 14.238 ( 1.072 -1.378 0.109) 1.749 ======================= Grid point 136 (52/216) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 1.235 0.039 2.680) 2.951 1.321 ( 2.572 -2.053 0.832) 3.395 1.472 ( -1.857 -1.645 2.069) 3.230 1.960 ( -3.206 -0.164 4.536) 5.557 2.166 ( 1.765 -2.392 2.838) 4.110 2.455 ( -3.433 9.350 18.828) 21.301 2.841 ( -4.105 1.442 9.312) 10.278 3.505 ( -2.195 -1.509 -2.615) 3.733 4.209 ( -0.636 -7.663 -6.182) 9.867 4.310 ( 1.599 -3.113 0.342) 3.516 5.029 ( -0.016 -1.383 0.861) 1.629 5.368 ( -0.218 -6.586 -0.883) 6.648 6.186 ( 0.745 -12.585 -9.236) 15.628 6.596 ( -0.311 -4.336 -2.938) 5.247 6.966 ( -3.491 -8.875 -0.657) 9.559 7.230 ( 2.244 1.110 5.857) 6.369 7.756 ( 1.282 12.161 5.300) 13.328 7.897 ( -0.183 4.349 0.377) 4.369 8.105 ( 1.645 9.055 -1.302) 9.295 8.748 ( 0.473 0.734 -4.588) 4.671 11.337 ( -0.730 0.904 1.073) 1.581 11.487 ( 0.048 6.904 -1.782) 7.130 11.895 ( -0.567 2.420 0.855) 2.629 12.060 ( 0.701 -1.099 0.216) 1.321 12.772 ( -0.521 -2.119 0.273) 2.199 12.787 ( 0.837 0.607 -0.175) 1.049 13.583 ( -0.026 0.311 -2.017) 2.041 13.755 ( -0.085 0.440 -1.454) 1.522 13.866 ( 1.154 0.194 5.472) 5.596 14.239 ( -0.916 -1.492 -1.010) 2.021 ======================= Grid point 137 (53/216) ======================= q-point: (-0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.255 0.873 3.040) 3.173 1.352 ( 0.215 -3.941 -0.255) 3.955 1.416 ( -5.044 0.344 5.066) 7.157 1.877 ( -7.208 0.382 3.598) 8.065 2.227 ( 2.932 -2.018 5.129) 6.243 2.444 ( -3.130 9.797 14.544) 17.814 2.769 ( -5.321 -2.757 6.087) 8.541 3.305 ( -16.713 6.834 1.354) 18.106 4.205 ( 1.448 -7.378 -5.477) 9.302 4.356 ( 3.034 -3.192 -3.527) 5.642 4.923 ( -10.548 -6.210 -0.265) 12.243 5.304 ( -5.515 -2.228 1.733) 6.196 6.236 ( 6.483 -12.561 -10.472) 17.592 6.541 ( -4.187 0.899 -11.266) 12.053 6.896 ( -3.507 -11.381 9.145) 15.016 7.279 ( 1.253 3.906 3.479) 5.379 7.785 ( 0.256 6.028 5.113) 7.909 7.921 ( 1.870 5.629 0.468) 5.950 8.150 ( 3.155 8.057 1.098) 8.722 8.724 ( -1.416 0.695 -4.576) 4.840 11.343 ( 1.061 1.069 0.794) 1.703 11.500 ( 1.975 5.822 -1.774) 6.399 11.896 ( 0.472 2.209 0.351) 2.286 12.084 ( 1.572 -1.033 0.668) 1.996 12.776 ( 0.886 -3.041 -0.228) 3.176 12.822 ( 2.605 0.767 0.559) 2.773 13.579 ( 0.163 0.144 -1.556) 1.571 13.737 ( -1.236 0.956 -1.785) 2.372 13.916 ( 1.969 -0.165 6.182) 6.490 14.199 ( -2.603 -1.120 -1.845) 3.382 ======================= Grid point 138 (54/216) ======================= q-point: (-0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -1.163 2.338 1.918) 3.241 1.284 ( -7.138 -0.701 -1.420) 7.312 1.350 ( -4.514 -0.961 11.162) 12.079 1.682 ( -14.736 0.414 4.016) 15.279 2.285 ( 0.311 -3.847 0.909) 3.965 2.415 ( -3.986 8.094 6.506) 11.123 2.692 ( -5.142 0.338 5.209) 7.327 2.983 ( -14.699 16.510 13.905) 26.115 4.206 ( 0.422 -4.768 -8.687) 9.918 4.377 ( 0.529 -5.165 -7.482) 9.107 4.680 ( -13.126 -10.518 -0.376) 16.824 5.182 ( -8.294 4.967 4.968) 10.869 6.316 ( 3.039 -8.890 -15.385) 18.027 6.377 ( -5.794 -2.590 -9.445) 11.379 6.912 ( 1.378 -4.984 9.664) 10.960 7.294 ( -0.970 3.772 4.750) 6.142 7.812 ( 1.049 2.218 4.313) 4.962 7.950 ( 1.013 5.639 -0.078) 5.730 8.225 ( 3.719 3.982 3.126) 6.282 8.670 ( -2.767 0.727 -3.462) 4.491 11.378 ( 2.172 1.283 0.685) 2.614 11.549 ( 3.542 3.966 -1.408) 5.501 11.914 ( 1.411 1.419 -0.164) 2.007 12.120 ( 1.747 -1.063 0.789) 2.192 12.802 ( 1.858 -3.941 -0.492) 4.384 12.883 ( 3.315 -0.468 1.114) 3.529 13.578 ( 0.157 -0.087 -1.316) 1.328 13.704 ( -1.403 2.020 -1.919) 3.119 13.972 ( 1.698 -0.334 5.835) 6.086 14.135 ( -3.250 -0.234 -2.051) 3.850 ======================= Grid point 139 (55/216) ======================= q-point: (-0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -3.234 4.993 1.063) 6.043 1.101 ( -12.402 3.600 0.562) 12.926 1.255 ( -10.824 -3.075 12.241) 16.627 1.391 ( -13.267 3.837 6.493) 15.261 2.064 ( -22.278 11.422 -0.604) 25.043 2.395 ( 0.699 5.071 3.328) 6.106 2.648 ( -0.658 6.345 13.678) 15.092 2.934 ( 1.608 8.423 13.708) 16.169 4.144 ( -2.991 -3.856 -14.963) 15.739 4.332 ( -2.475 -7.025 -8.459) 11.271 4.466 ( -8.746 -6.480 -0.614) 10.903 5.020 ( -10.353 9.625 6.993) 15.771 6.160 ( -7.225 2.388 -8.568) 11.460 6.398 ( 4.365 -14.575 -12.215) 19.511 6.974 ( 2.312 2.999 3.079) 4.880 7.283 ( -1.882 -1.154 7.358) 7.682 7.841 ( 0.106 3.246 4.727) 5.735 7.967 ( 1.350 4.618 -0.982) 4.911 8.302 ( 2.952 -1.023 3.490) 4.685 8.603 ( -3.297 0.792 -1.553) 3.730 11.426 ( 2.423 1.570 1.007) 3.058 11.618 ( 3.789 2.395 -1.094) 4.614 11.946 ( 1.883 0.510 -0.529) 2.021 12.151 ( 1.186 -1.304 0.579) 1.855 12.839 ( 1.994 -5.420 -0.353) 5.786 12.947 ( 2.670 -2.587 1.474) 3.999 13.575 ( 0.052 -0.003 -1.418) 1.419 13.679 ( -0.355 3.178 -2.131) 3.843 14.010 ( 0.462 -0.376 4.296) 4.337 14.073 ( -2.330 1.174 -1.107) 2.835 ======================= Grid point 140 (56/216) ======================= q-point: (-0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -10.901 10.705 5.548) 16.255 0.820 ( -10.982 10.090 -1.991) 15.046 1.095 ( -7.532 4.358 16.049) 18.256 1.263 ( -4.316 9.447 9.082) 13.797 1.622 ( -22.590 24.059 12.728) 35.372 2.426 ( 1.088 3.539 3.560) 5.136 2.705 ( 1.001 0.295 10.847) 10.897 3.015 ( 1.511 5.303 9.744) 11.196 4.043 ( -1.934 -4.868 -14.725) 15.629 4.224 ( -4.304 -0.708 -9.297) 10.269 4.342 ( -3.974 2.788 -4.014) 6.299 4.851 ( -9.258 9.387 8.710) 15.801 6.053 ( -1.897 1.861 -1.075) 2.867 6.434 ( 3.758 -14.256 -13.746) 20.157 7.008 ( 1.287 8.372 -2.919) 8.959 7.268 ( -2.654 -6.690 8.670) 11.268 7.836 ( -2.227 5.744 5.331) 8.147 8.003 ( 2.795 3.185 -2.333) 4.838 8.355 ( 1.404 -5.052 3.198) 6.142 8.541 ( -2.799 0.631 0.579) 2.927 11.472 ( 1.820 1.914 1.758) 3.173 11.676 ( 2.411 1.559 -1.091) 3.072 11.978 ( 1.598 -0.108 -0.627) 1.720 12.166 ( 0.202 -1.670 0.109) 1.686 12.870 ( 1.192 -7.219 0.195) 7.320 12.987 ( 0.925 -4.705 1.604) 5.056 13.578 ( 0.848 0.591 -1.714) 2.002 13.675 ( 0.476 3.329 -3.094) 4.570 14.012 ( -0.831 0.102 1.266) 1.518 14.048 ( -0.646 2.151 1.487) 2.694 ======================= Grid point 141 (57/216) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 1.443 7.037 0.220) 7.186 0.972 ( -1.556 7.769 -0.890) 7.973 1.237 ( -1.542 12.099 11.083) 16.480 1.659 ( -3.263 21.593 2.432) 21.973 1.981 ( 5.224 24.696 12.082) 27.985 2.460 ( -1.912 -1.504 0.362) 2.459 2.778 ( -1.108 8.475 -0.171) 8.549 3.253 ( -0.863 17.748 17.793) 25.146 4.006 ( 3.353 -0.020 -2.985) 4.489 4.239 ( -0.426 -0.230 -12.347) 12.357 4.479 ( 6.615 11.040 -6.154) 14.265 4.934 ( -8.505 13.434 7.534) 17.595 6.147 ( 5.394 2.888 5.316) 8.106 6.188 ( 2.031 -12.036 -11.903) 17.049 6.959 ( -2.325 -11.778 11.450) 16.590 7.249 ( -2.029 8.440 -6.534) 10.865 7.928 ( -0.819 5.060 0.824) 5.192 8.088 ( 0.466 1.744 -4.595) 4.937 8.271 ( 0.332 -2.967 3.619) 4.692 8.491 ( -1.478 -1.391 1.762) 2.688 11.555 ( 0.360 3.274 2.689) 4.252 11.746 ( 0.183 3.824 -0.762) 3.903 11.993 ( 0.594 -0.128 -0.924) 1.106 12.104 ( -0.925 -3.628 -0.254) 3.752 12.685 ( -0.057 -11.585 0.912) 11.621 12.878 ( -0.156 -7.069 -0.562) 7.093 13.616 ( 1.708 1.271 -2.349) 3.170 13.700 ( -0.274 1.047 -2.192) 2.444 14.007 ( -1.316 0.843 1.401) 2.099 14.099 ( 0.252 2.139 1.800) 2.807 ======================= Grid point 142 (58/216) ======================= q-point: ( 0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -0.123 8.552 -0.646) 8.577 0.965 ( 5.004 1.265 0.157) 5.164 1.277 ( 2.583 11.066 9.628) 14.894 1.572 ( -4.068 17.611 7.854) 19.707 2.240 ( 14.079 17.422 8.797) 24.065 2.433 ( -0.617 -1.660 -1.794) 2.521 2.732 ( -3.784 9.426 0.431) 10.167 3.303 ( 0.151 20.998 19.158) 28.425 4.065 ( 3.168 -1.299 -4.326) 5.517 4.186 ( -0.201 -1.692 -11.315) 11.443 4.599 ( 5.471 9.934 -1.485) 11.437 4.846 ( -0.725 7.860 3.476) 8.625 6.169 ( 0.131 -11.700 -10.746) 15.886 6.326 ( 9.516 0.267 7.235) 11.957 6.919 ( -4.915 -8.917 12.028) 15.759 7.197 ( -0.900 7.849 -9.100) 12.050 7.912 ( -0.874 6.038 0.216) 6.105 8.076 ( -0.231 0.519 -3.351) 3.399 8.272 ( -1.353 -0.374 2.257) 2.658 8.512 ( 3.255 -1.110 0.945) 3.566 11.551 ( -1.772 2.918 2.988) 4.537 11.734 ( -1.057 4.780 -0.641) 4.937 11.991 ( -0.546 -0.213 -0.405) 0.712 12.087 ( -0.710 -3.169 -0.920) 3.375 12.692 ( 0.342 -11.246 0.867) 11.285 12.873 ( -0.184 -5.739 -0.820) 5.801 13.638 ( 0.982 1.768 -1.616) 2.589 13.691 ( 0.417 1.146 -2.490) 2.773 13.975 ( -2.451 1.081 1.188) 2.930 14.115 ( 0.864 1.352 1.938) 2.516 ======================= Grid point 143 (59/216) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -1.705 3.952 -1.674) 4.618 1.085 ( 5.623 -0.763 -1.495) 5.868 1.391 ( 4.883 5.982 9.358) 12.133 1.592 ( 4.122 10.341 7.658) 13.512 2.376 ( -2.606 -1.259 1.001) 3.063 2.525 ( 8.057 4.040 1.251) 9.100 2.666 ( -0.743 14.329 3.070) 14.673 3.378 ( 1.041 22.345 20.000) 30.006 4.079 ( 1.878 -3.965 -10.130) 11.039 4.191 ( 2.289 -6.286 -6.865) 9.585 4.647 ( 0.656 5.545 6.467) 8.544 4.947 ( 8.746 3.190 -0.624) 9.330 6.126 ( -1.057 -14.839 -11.284) 18.672 6.482 ( 1.955 -6.262 7.518) 9.978 6.902 ( 0.842 -0.938 13.859) 13.916 7.155 ( -0.444 6.517 -10.745) 12.574 7.894 ( -1.192 5.652 0.427) 5.792 8.062 ( -0.344 1.938 -2.006) 2.811 8.254 ( -0.234 3.997 -0.925) 4.109 8.598 ( 4.940 -0.476 0.157) 4.966 11.510 ( -3.165 2.704 2.705) 4.965 11.708 ( -1.285 6.501 -0.491) 6.645 11.975 ( -0.891 -0.006 0.126) 0.900 12.070 ( -0.790 -2.008 -1.084) 2.415 12.700 ( 0.174 -9.971 0.835) 10.007 12.862 ( -0.769 -3.292 -1.120) 3.561 13.638 ( -0.229 2.362 -1.696) 2.917 13.706 ( 1.759 0.658 -2.405) 3.052 13.926 ( -2.939 1.288 1.618) 3.594 14.143 ( 1.405 -0.139 1.952) 2.409 ======================= Grid point 144 (60/216) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -0.442 1.176 -1.376) 1.863 1.166 ( 3.819 -1.809 -2.721) 5.026 1.471 ( 0.867 4.704 7.436) 8.842 1.760 ( 9.253 1.097 5.348) 10.744 2.280 ( -6.374 0.235 -3.036) 7.064 2.564 ( -0.312 7.118 7.389) 10.265 2.786 ( 6.984 3.141 2.714) 8.124 3.455 ( 0.851 18.589 16.579) 24.923 4.102 ( 3.043 -7.869 -7.703) 11.425 4.185 ( -0.761 -7.961 -5.728) 9.837 4.727 ( 6.061 0.603 5.808) 8.416 5.110 ( 7.296 0.152 1.167) 7.390 6.051 ( -3.198 -18.341 -11.733) 22.006 6.447 ( -6.071 -11.911 9.747) 16.545 7.029 ( 5.943 2.834 11.140) 12.940 7.109 ( -0.888 4.986 -10.233) 11.418 7.883 ( 0.472 7.192 0.878) 7.260 8.048 ( -0.624 3.555 -1.285) 3.832 8.264 ( 1.774 8.868 -3.190) 9.590 8.686 ( 4.137 -0.048 -1.064) 4.272 11.456 ( -3.152 3.184 2.309) 5.040 11.685 ( -0.878 8.348 -0.714) 8.424 11.962 ( -0.503 0.971 0.342) 1.146 12.049 ( -1.002 -1.212 -0.630) 1.694 12.701 ( -0.394 -8.360 0.942) 8.422 12.838 ( -1.199 -0.884 -1.283) 1.966 13.626 ( -0.343 2.038 -2.441) 3.198 13.734 ( 1.731 0.356 -2.217) 2.835 13.881 ( -2.311 1.375 2.846) 3.916 14.176 ( 1.336 -1.672 1.548) 2.642 ======================= Grid point 145 (61/216) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 1.250 0.624 0.440) 1.465 1.220 ( 2.878 -3.368 -3.327) 5.541 1.487 ( -0.740 3.445 3.828) 5.203 1.920 ( 4.724 -1.620 6.227) 7.982 2.157 ( -4.368 0.442 -2.484) 5.044 2.609 ( 2.144 8.840 7.557) 11.826 2.867 ( -0.167 -2.319 3.571) 4.262 3.511 ( 0.665 9.997 10.293) 14.364 4.109 ( -0.882 -7.535 -7.116) 10.402 4.170 ( 1.390 -7.273 1.284) 7.515 4.896 ( 9.070 -2.325 2.787) 9.769 5.205 ( 1.499 -4.401 1.542) 4.899 5.938 ( -4.112 -19.629 -10.140) 22.473 6.377 ( -3.977 -14.181 11.253) 18.535 7.027 ( -3.100 2.111 -12.465) 13.017 7.168 ( 3.851 2.295 9.384) 10.400 7.929 ( 3.664 10.061 1.594) 10.825 8.027 ( -1.371 5.438 -0.658) 5.647 8.292 ( 2.078 11.358 -3.736) 12.136 8.743 ( 2.312 0.102 -2.441) 3.364 11.411 ( -2.143 4.008 2.052) 4.987 11.669 ( -0.508 9.774 -1.354) 9.880 11.959 ( 0.024 2.599 0.259) 2.612 12.031 ( -0.717 -1.296 0.155) 1.489 12.692 ( -0.749 -7.085 1.018) 7.197 12.815 ( -0.627 0.609 -1.161) 1.454 13.611 ( -0.297 1.525 -2.982) 3.363 13.755 ( 1.130 0.109 -2.239) 2.511 13.861 ( -0.855 1.220 4.366) 4.614 14.198 ( 0.453 -2.674 0.744) 2.812 ======================= Grid point 146 (62/216) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 1.802 0.797 2.527) 3.204 1.253 ( 1.460 -4.942 -3.175) 6.053 1.475 ( -1.250 2.666 1.685) 3.393 1.955 ( -2.478 -0.189 5.417) 5.960 2.138 ( 2.316 -0.551 0.958) 2.566 2.671 ( 1.741 9.554 5.897) 11.362 2.798 ( -7.366 -3.303 1.991) 8.315 3.537 ( -1.486 4.764 7.658) 9.141 4.065 ( -0.834 -5.827 -4.962) 7.699 4.226 ( 3.173 -4.820 3.845) 6.934 5.000 ( -3.144 -1.520 0.719) 3.565 5.190 ( -0.005 -11.112 0.239) 11.115 5.887 ( 2.457 -16.745 -7.603) 18.553 6.374 ( -0.059 -16.505 11.587) 20.166 6.901 ( -6.078 1.146 -11.226) 12.817 7.255 ( 3.292 1.397 4.601) 5.827 7.989 ( -1.905 9.035 0.766) 9.265 8.011 ( 3.054 8.688 1.592) 9.346 8.316 ( 1.571 11.515 -2.867) 11.970 8.757 ( 0.158 -0.010 -3.435) 3.439 11.389 ( -0.742 4.467 1.873) 4.900 11.656 ( -0.282 10.108 -2.025) 10.313 11.959 ( -0.141 4.085 0.044) 4.088 12.030 ( 0.594 -1.938 0.881) 2.210 12.683 ( -0.476 -6.435 0.829) 6.505 12.812 ( 0.650 0.819 -0.754) 1.289 13.598 ( -0.083 1.225 -2.955) 3.200 13.761 ( 0.284 0.057 -2.479) 2.496 13.875 ( 0.647 0.782 5.542) 5.634 14.195 ( -0.864 -2.870 -0.155) 3.001 ======================= Grid point 147 (63/216) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 1.217 1.150 3.008) 3.442 1.250 ( -0.933 -5.989 -2.664) 6.620 1.452 ( -1.777 3.331 1.984) 4.265 1.891 ( -6.268 1.340 5.288) 8.309 2.198 ( 2.781 -1.077 0.232) 2.992 2.650 ( -6.523 -3.049 0.543) 7.221 2.708 ( 0.508 11.117 4.623) 12.050 3.483 ( -7.234 9.861 10.620) 16.197 4.057 ( 1.542 -5.893 -5.987) 8.541 4.300 ( 2.968 -2.415 3.148) 4.955 4.788 ( -14.720 -6.856 -2.301) 16.400 5.228 ( 0.959 -5.441 3.550) 6.567 5.958 ( 6.399 -14.873 -8.835) 18.445 6.439 ( 2.675 -14.771 9.139) 17.575 6.738 ( -7.065 -0.413 -6.879) 9.869 7.327 ( 3.174 1.136 1.753) 3.800 7.946 ( -2.569 8.913 1.542) 9.403 8.057 ( 1.128 8.199 0.818) 8.317 8.333 ( 0.642 9.681 -0.920) 9.746 8.730 ( -1.787 -0.314 -3.459) 3.906 11.394 ( 0.706 4.246 1.667) 4.616 11.649 ( 0.385 9.146 -2.227) 9.421 11.954 ( -0.304 3.548 -0.061) 3.562 12.056 ( 1.632 -1.665 1.111) 2.583 12.681 ( 0.103 -6.606 0.490) 6.625 12.833 ( 1.565 -0.134 -0.345) 1.608 13.590 ( 0.190 1.068 -2.689) 2.900 13.751 ( -0.461 0.338 -2.683) 2.743 13.916 ( 1.625 0.259 5.982) 6.204 14.167 ( -1.880 -2.198 -0.773) 2.994 ======================= Grid point 148 (64/216) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.880 2.374 1.710) 3.056 1.199 ( -3.599 -5.305 -3.226) 7.176 1.409 ( -4.050 4.474 4.556) 7.562 1.733 ( -11.242 5.299 5.765) 13.700 2.225 ( 0.660 -2.658 -3.961) 4.816 2.597 ( -0.343 5.475 3.004) 6.254 2.733 ( 1.106 8.248 2.933) 8.824 3.340 ( -10.993 18.519 15.393) 26.472 4.065 ( 0.985 -7.348 -9.433) 11.998 4.342 ( 0.567 0.303 -0.469) 0.796 4.519 ( -10.905 -4.356 -1.466) 11.834 5.227 ( -2.592 -0.845 6.855) 7.377 6.046 ( 5.683 -14.683 -10.153) 18.735 6.424 ( -6.145 2.119 -9.085) 11.171 6.692 ( 2.912 -13.607 12.263) 18.547 7.377 ( 1.260 2.537 0.351) 2.854 7.911 ( -1.359 7.616 1.882) 7.962 8.068 ( 0.238 6.251 -0.684) 6.292 8.330 ( -1.029 6.169 0.729) 6.297 8.673 ( -3.102 -0.646 -2.178) 3.845 11.425 ( 1.928 3.688 1.460) 4.410 11.661 ( 1.511 7.302 -1.847) 7.682 11.952 ( 0.185 2.238 -0.271) 2.262 12.091 ( 1.484 -1.702 1.033) 2.483 12.687 ( 0.273 -7.649 0.316) 7.661 12.862 ( 1.453 -2.060 -0.175) 2.527 13.587 ( 0.296 0.957 -2.642) 2.825 13.732 ( -0.526 0.777 -2.605) 2.769 13.967 ( 1.643 -0.041 5.547) 5.786 14.126 ( -1.919 -0.756 -0.790) 2.208 ======================= Grid point 149 (65/216) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.977 4.772 -0.022) 4.871 1.074 ( -8.293 -3.069 -4.075) 9.736 1.330 ( -5.512 7.796 7.179) 11.945 1.577 ( -5.401 13.826 7.413) 16.592 2.195 ( -3.444 1.722 -2.274) 4.472 2.584 ( -2.968 9.721 0.736) 10.190 2.763 ( 0.791 7.491 3.147) 8.164 3.218 ( -5.985 20.282 18.764) 28.271 4.018 ( -1.701 -6.428 -11.739) 13.492 4.318 ( -1.154 3.521 -6.561) 7.535 4.404 ( -1.885 0.420 0.901) 2.131 5.175 ( -5.410 5.106 9.168) 11.806 6.109 ( 3.931 -14.457 -9.591) 17.789 6.249 ( -6.907 6.573 -9.577) 13.514 6.822 ( 4.690 -14.594 13.561) 20.467 7.369 ( -1.832 5.731 -0.894) 6.083 7.911 ( 0.721 4.403 1.219) 4.625 8.071 ( 0.658 5.382 -1.624) 5.660 8.300 ( -2.228 1.319 1.398) 2.942 8.604 ( -3.658 -0.863 0.018) 3.759 11.473 ( 2.507 3.346 1.502) 4.443 11.693 ( 2.221 5.332 -1.251) 5.911 11.960 ( 0.832 0.931 -0.596) 1.383 12.115 ( 0.626 -2.260 0.757) 2.465 12.690 ( -0.075 -9.295 0.446) 9.306 12.881 ( 0.546 -4.523 -0.234) 4.561 13.586 ( 0.578 1.013 -2.797) 3.030 13.718 ( -0.146 0.979 -2.330) 2.531 14.006 ( 0.686 0.009 4.084) 4.141 14.096 ( -0.895 0.961 0.130) 1.320 ======================= Grid point 150 (66/216) ======================= q-point: (-0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -6.600 3.625 -2.166) 7.835 0.989 ( 0.247 6.893 -1.272) 7.014 1.261 ( -4.385 11.300 10.606) 16.106 1.591 ( 4.152 20.947 5.940) 22.165 2.059 ( -10.263 15.742 3.947) 19.202 2.509 ( -3.733 4.041 1.199) 5.631 2.782 ( 0.366 8.390 1.231) 8.488 3.218 ( -1.328 16.880 18.110) 24.792 3.976 ( 1.184 -1.990 -8.294) 8.612 4.277 ( -0.367 2.622 -9.669) 10.025 4.409 ( 2.393 6.277 -3.176) 7.431 5.075 ( -8.165 11.885 9.268) 17.141 6.104 ( -1.335 -1.157 -1.754) 2.490 6.178 ( 2.470 -7.015 -11.375) 13.591 6.927 ( 1.809 -13.116 11.974) 17.852 7.314 ( -2.920 7.833 -3.260) 8.972 7.930 ( 0.473 3.240 0.924) 3.403 8.083 ( 1.181 5.038 -3.171) 6.069 8.267 ( -1.336 -3.172 2.304) 4.142 8.537 ( -3.481 -1.103 1.755) 4.051 11.524 ( 2.006 3.328 1.996) 4.368 11.730 ( 1.697 4.031 -0.870) 4.459 11.977 ( 1.140 0.078 -0.913) 1.462 12.118 ( -0.416 -3.050 0.331) 3.096 12.688 ( -0.349 -10.847 0.741) 10.878 12.883 ( -0.162 -6.551 -0.385) 6.565 13.595 ( 1.280 1.163 -2.771) 3.267 13.710 ( -0.045 0.892 -2.150) 2.328 14.018 ( -0.400 0.504 2.184) 2.277 14.092 ( -0.038 1.963 1.461) 2.448 ======================= Grid point 151 (67/216) ======================= q-point: ( 0.00 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.833 4.740 -0.058) 4.813 1.080 ( -0.984 3.674 -1.576) 4.117 1.473 ( -0.272 11.280 4.840) 12.278 1.999 ( -1.957 9.651 -4.425) 10.796 2.292 ( 5.884 8.157 9.181) 13.618 2.452 ( -5.000 2.820 2.885) 6.425 3.058 ( 0.486 18.961 -6.571) 20.073 3.663 ( -0.340 21.773 15.272) 26.597 4.007 ( 3.784 0.087 -3.740) 5.321 4.207 ( -2.401 -2.340 -6.937) 7.705 4.680 ( 5.985 8.959 -4.065) 11.516 5.200 ( -8.448 11.856 3.264) 14.920 5.973 ( 1.924 -7.871 -3.863) 8.976 6.221 ( 1.709 1.927 5.364) 5.950 6.756 ( 1.085 -6.470 10.564) 12.436 7.364 ( -1.629 1.785 -5.246) 5.775 7.969 ( 1.349 -0.124 -4.633) 4.827 8.109 ( -4.017 0.681 -4.219) 5.865 8.279 ( 2.650 3.187 4.217) 5.913 8.463 ( -1.050 -1.241 2.938) 3.358 11.628 ( 0.029 4.173 2.713) 4.977 11.845 ( 0.461 6.041 -0.271) 6.065 12.001 ( 1.254 1.082 -1.418) 2.180 12.024 ( -1.669 -4.023 0.178) 4.359 12.452 ( -0.227 -11.858 0.889) 11.893 12.711 ( 0.430 -9.893 -1.592) 10.029 13.643 ( 1.689 1.485 -2.756) 3.557 13.715 ( 0.011 0.454 -1.547) 1.612 14.028 ( -1.118 1.319 2.057) 2.687 14.126 ( -0.023 0.541 1.911) 1.986 ======================= Grid point 152 (68/216) ======================= q-point: ( 0.10 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 2.077 2.026 -0.440) 2.934 1.042 ( -1.674 4.782 -2.063) 5.470 1.501 ( 1.579 10.991 4.479) 11.973 1.906 ( -5.773 13.626 0.792) 14.820 2.348 ( -1.820 -2.161 4.351) 5.188 2.476 ( 5.021 4.975 3.177) 7.750 3.036 ( -0.779 19.698 -4.972) 20.331 3.714 ( 0.524 18.689 14.600) 23.722 4.054 ( 1.999 -0.175 -3.448) 3.989 4.141 ( -1.976 -2.588 -10.155) 10.664 4.803 ( 6.766 9.491 1.551) 11.759 5.006 ( -10.393 9.306 0.890) 13.979 5.942 ( -3.353 -10.206 -4.160) 11.520 6.304 ( 2.001 -5.188 8.284) 9.978 6.818 ( 3.026 0.495 11.395) 11.800 7.310 ( -1.700 3.032 -7.923) 8.652 7.988 ( 1.021 1.369 -2.892) 3.359 8.043 ( -0.678 -2.190 -4.674) 5.206 8.332 ( 1.887 5.101 2.364) 5.930 8.496 ( 3.521 -0.448 2.349) 4.256 11.617 ( -1.884 4.010 2.758) 5.219 11.851 ( 0.178 6.641 0.233) 6.647 11.982 ( -1.516 -1.378 -0.531) 2.116 12.034 ( 1.420 -0.772 -1.042) 1.923 12.464 ( 1.072 -11.616 0.788) 11.692 12.729 ( 1.776 -8.997 -1.507) 9.294 13.667 ( 1.526 1.299 -2.251) 3.014 13.710 ( 0.164 0.782 -1.951) 2.108 14.002 ( -2.266 1.687 2.107) 3.524 14.129 ( -0.239 -0.003 2.042) 2.056 ======================= Grid point 153 (69/216) ======================= q-point: ( 0.20 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -3.075 3.904 -3.529) 6.095 1.071 ( 3.276 0.028 -0.380) 3.298 1.553 ( 2.380 9.483 2.840) 10.181 1.826 ( -2.804 12.163 4.562) 13.290 2.323 ( -1.659 -3.580 0.217) 3.951 2.559 ( 2.227 -0.128 4.194) 4.750 3.005 ( -0.811 19.286 -3.521) 19.621 3.762 ( -0.540 15.375 13.959) 20.773 4.039 ( -1.841 -0.832 -8.774) 9.003 4.083 ( -0.407 -4.852 -8.874) 10.122 4.799 ( -6.857 9.427 7.360) 13.786 4.997 ( 7.598 3.439 2.067) 8.593 5.833 ( -6.358 -14.525 -5.265) 16.707 6.294 ( -5.586 -12.473 10.308) 17.119 6.955 ( 6.664 5.572 11.161) 14.143 7.251 ( -1.582 3.196 -9.866) 10.491 7.982 ( 0.397 3.408 -2.097) 4.021 8.060 ( 2.685 -0.936 -3.749) 4.706 8.382 ( 3.223 7.367 -0.539) 8.060 8.588 ( 4.923 -0.436 1.614) 5.199 11.581 ( -2.592 4.518 2.609) 5.825 11.856 ( 0.286 7.910 0.379) 7.924 11.961 ( -0.590 -1.513 -0.254) 1.643 12.052 ( 0.816 0.992 -1.108) 1.697 12.492 ( 1.452 -10.842 0.829) 10.970 12.761 ( 1.846 -7.182 -1.615) 7.589 13.678 ( 0.167 1.656 -2.186) 2.748 13.716 ( 1.299 0.416 -2.820) 3.132 13.959 ( -2.858 2.077 2.738) 4.469 14.131 ( -0.176 -1.121 2.233) 2.505 ======================= Grid point 154 (70/216) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -1.842 3.696 -2.837) 5.011 1.122 ( 2.140 -2.385 -1.359) 3.480 1.595 ( 1.190 7.866 0.301) 7.961 1.836 ( 1.961 6.326 5.799) 8.803 2.270 ( -3.708 -1.432 -2.845) 4.888 2.596 ( 0.397 -3.704 5.001) 6.236 2.990 ( 0.410 17.022 -2.633) 17.229 3.763 ( -3.728 11.475 10.308) 15.869 3.991 ( 0.553 -3.424 -7.274) 8.059 4.044 ( -1.109 -6.067 -5.670) 8.378 4.751 ( -0.332 1.796 8.044) 8.249 5.136 ( 4.453 3.095 4.650) 7.144 5.675 ( -7.667 -19.262 -6.499) 21.727 6.193 ( -7.887 -13.854 12.313) 20.143 7.098 ( 4.242 3.952 6.401) 8.637 7.189 ( -1.496 3.181 -8.455) 9.157 8.015 ( 3.725 5.977 -1.401) 7.181 8.100 ( 2.292 2.066 -2.534) 3.993 8.447 ( 3.777 8.719 -2.609) 9.853 8.679 ( 3.972 -0.575 0.375) 4.031 11.542 ( -2.116 5.596 2.539) 6.499 11.864 ( 0.443 8.942 -0.029) 8.953 11.958 ( 0.274 -1.094 0.177) 1.141 12.059 ( 0.310 2.822 -0.956) 2.996 12.518 ( 0.853 -9.917 1.023) 10.006 12.784 ( 1.095 -4.977 -1.769) 5.394 13.665 ( -0.441 1.909 -3.114) 3.679 13.735 ( 1.549 -0.103 -3.172) 3.531 13.917 ( -2.456 2.295 3.794) 5.069 14.136 ( -0.146 -2.452 2.224) 3.314 ======================= Grid point 155 (71/216) ======================= q-point: ( 0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.707 2.147 -0.804) 2.399 1.143 ( 0.757 -4.195 -2.360) 4.873 1.597 ( -0.457 7.374 -2.683) 7.860 1.915 ( 3.391 1.816 6.941) 7.936 2.178 ( -3.791 1.368 -3.676) 5.455 2.600 ( -1.674 -8.925 1.847) 9.266 3.005 ( 1.767 16.106 -2.223) 16.354 3.695 ( -4.747 6.441 3.649) 8.794 4.005 ( -0.066 -2.119 1.836) 2.804 4.040 ( 3.217 -5.484 0.474) 6.375 4.829 ( 5.835 -4.536 5.595) 9.270 5.135 ( -7.031 -4.350 2.631) 8.676 5.556 ( -1.200 -16.447 -4.597) 17.120 6.090 ( -6.655 -14.614 12.976) 20.645 7.079 ( -3.312 3.240 -10.943) 11.883 7.213 ( 2.757 1.911 4.373) 5.512 8.096 ( 3.553 6.505 0.532) 7.431 8.133 ( 2.498 5.511 -1.932) 6.352 8.500 ( 2.612 9.232 -3.492) 10.211 8.736 ( 1.965 -0.759 -1.064) 2.360 11.518 ( -1.327 6.720 2.582) 7.320 11.868 ( 0.035 9.116 -0.888) 9.159 11.971 ( 0.857 -0.737 0.993) 1.505 12.060 ( 0.091 4.897 -1.022) 5.003 12.530 ( 0.055 -9.182 1.214) 9.262 12.793 ( 0.530 -3.287 -1.781) 3.776 13.646 ( -0.379 1.968 -3.755) 4.256 13.751 ( 1.138 -0.461 -3.516) 3.724 13.894 ( -1.285 2.134 4.803) 5.411 14.137 ( -0.409 -3.450 1.859) 3.940 ======================= Grid point 156 (72/216) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 1.726 0.957 1.153) 2.285 1.141 ( 0.013 -6.061 -3.111) 6.813 1.570 ( -0.983 6.574 -4.130) 7.826 1.967 ( -0.882 1.842 6.642) 6.949 2.151 ( 2.027 1.753 -1.294) 2.976 2.535 ( -4.048 -12.970 -4.166) 14.212 3.034 ( 1.634 17.743 -1.991) 17.929 3.638 ( -1.889 4.214 3.086) 5.554 4.008 ( -0.578 0.173 5.775) 5.806 4.143 ( 5.534 -3.251 6.198) 8.922 4.919 ( -13.159 -11.221 -0.195) 17.295 4.983 ( 7.397 -6.190 1.922) 9.835 5.588 ( 4.473 -12.097 -2.601) 13.157 6.031 ( -3.602 -17.320 14.084) 22.612 6.962 ( -4.969 4.553 -12.117) 13.865 7.273 ( 2.621 0.131 1.442) 2.994 8.119 ( -0.270 6.051 0.032) 6.057 8.196 ( 2.798 7.870 0.920) 8.403 8.521 ( 0.641 8.819 -3.458) 9.495 8.745 ( -0.404 -1.116 -2.252) 2.546 11.507 ( -0.688 7.340 2.619) 7.824 11.859 ( -0.514 9.345 -1.796) 9.530 11.990 ( 0.392 -1.627 2.074) 2.665 12.059 ( 0.320 6.586 -1.422) 6.746 12.530 ( -0.338 -8.846 1.223) 8.936 12.796 ( 0.407 -2.881 -1.654) 3.347 13.630 ( -0.041 1.994 -3.894) 4.375 13.756 ( 0.545 -0.603 -3.770) 3.856 13.898 ( 0.082 1.638 5.423) 5.666 14.130 ( -0.833 -3.656 1.312) 3.973 ======================= Grid point 157 (73/216) ======================= q-point: (-0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 1.889 0.679 1.572) 2.550 1.129 ( -0.300 -6.056 -2.854) 6.701 1.539 ( -1.084 5.397 -3.304) 6.420 1.945 ( -3.377 4.417 6.696) 8.704 2.175 ( -0.129 -2.114 -4.724) 5.178 2.489 ( 2.148 -8.892 -2.570) 9.502 3.048 ( 0.592 19.068 -2.707) 19.269 3.639 ( -0.081 5.698 6.821) 8.888 4.009 ( -1.101 0.854 2.326) 2.711 4.266 ( 4.474 -1.012 7.789) 9.039 4.677 ( -10.292 -4.206 -1.359) 11.201 5.105 ( 3.934 -6.747 1.852) 8.026 5.684 ( 6.239 -12.564 -5.290) 14.992 6.059 ( 1.951 -21.226 17.185) 27.380 6.819 ( -5.850 6.762 -12.229) 15.150 7.325 ( 2.738 -1.486 -0.670) 3.186 8.103 ( -1.418 7.220 0.837) 7.405 8.222 ( -0.438 7.772 1.340) 7.899 8.503 ( -1.539 7.268 -2.725) 7.913 8.709 ( -2.466 -1.735 -2.585) 3.972 11.508 ( 0.001 7.186 2.515) 7.613 11.841 ( -0.647 9.612 -2.252) 9.893 11.994 ( -0.656 -1.311 2.066) 2.534 12.066 ( 0.749 4.997 -1.044) 5.159 12.526 ( -0.534 -9.013 1.059) 9.090 12.797 ( 0.097 -3.938 -1.571) 4.241 13.620 ( 0.260 1.954 -3.871) 4.344 13.749 ( 0.023 -0.474 -3.743) 3.773 13.929 ( 1.182 1.048 5.560) 5.780 14.116 ( -0.954 -2.911 0.890) 3.190 ======================= Grid point 158 (74/216) ======================= q-point: (-0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 2.437 1.320 0.637) 2.844 1.103 ( -1.827 -4.177 -2.246) 5.082 1.510 ( -0.895 6.115 -1.752) 6.424 1.883 ( -4.152 9.509 5.764) 11.869 2.154 ( 0.773 -5.168 -6.116) 8.044 2.573 ( 4.635 -4.491 2.651) 6.977 3.046 ( 0.661 19.304 -4.789) 19.901 3.656 ( -1.750 12.500 12.483) 17.752 3.969 ( -1.989 -1.574 -7.061) 7.503 4.343 ( 0.988 -0.227 6.398) 6.478 4.552 ( -2.155 7.235 -2.607) 7.986 5.158 ( 1.124 -5.592 6.133) 8.376 5.774 ( 5.104 -12.790 -6.899) 15.402 6.203 ( 6.319 -21.172 16.516) 27.586 6.672 ( -5.457 8.703 -9.989) 14.328 7.372 ( 2.464 -2.829 -1.829) 4.174 8.072 ( -2.234 8.061 1.672) 8.530 8.197 ( -1.897 6.857 0.073) 7.115 8.444 ( -3.868 5.021 -1.912) 6.620 8.642 ( -3.651 -2.430 -1.393) 4.602 11.524 ( 0.982 6.414 2.292) 6.881 11.825 ( -0.169 9.040 -2.080) 9.278 11.983 ( -0.809 -0.175 1.181) 1.442 12.076 ( 0.433 1.660 -0.257) 1.734 12.514 ( -1.011 -9.669 0.932) 9.766 12.786 ( -0.776 -6.027 -1.637) 6.293 13.615 ( 0.436 1.871 -3.888) 4.336 13.736 ( -0.123 -0.222 -3.278) 3.287 13.973 ( 1.519 0.646 5.106) 5.366 14.104 ( -0.475 -1.505 0.809) 1.774 ======================= Grid point 159 (75/216) ======================= q-point: (-0.20 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -1.547 -0.299 -1.917) 2.482 1.065 ( 0.323 1.922 -0.152) 1.955 1.496 ( -0.694 8.665 0.447) 8.705 1.869 ( 1.936 14.699 3.649) 15.268 2.163 ( 1.094 -4.066 -1.747) 4.558 2.629 ( -0.819 -2.570 4.712) 5.430 3.048 ( 1.542 18.674 -7.128) 20.048 3.646 ( -3.517 21.214 15.747) 26.652 3.924 ( 1.038 -2.974 -10.830) 11.279 4.345 ( -2.142 -0.117 2.017) 2.945 4.548 ( 2.429 12.367 -5.508) 13.754 5.210 ( 1.752 -1.109 10.400) 10.605 5.844 ( 4.445 -12.208 -5.609) 14.151 6.318 ( -0.484 -7.717 5.242) 9.341 6.596 ( 0.923 0.370 1.574) 1.861 7.402 ( 1.216 -2.853 -2.406) 3.925 8.025 ( -2.802 7.041 -0.070) 7.579 8.175 ( 0.087 5.442 -0.463) 5.463 8.346 ( -5.628 2.697 -1.242) 6.363 8.568 ( -3.953 -2.754 0.953) 4.911 11.559 ( 1.837 5.460 2.179) 6.159 11.823 ( 0.571 7.715 -1.493) 7.879 11.975 ( -0.184 -0.037 0.325) 0.375 12.077 ( -0.438 -0.709 0.033) 0.834 12.492 ( -1.551 -10.602 0.942) 10.756 12.758 ( -1.545 -8.242 -1.757) 8.567 13.614 ( 0.790 1.826 -3.758) 4.252 13.726 ( -0.030 -0.040 -2.522) 2.523 14.012 ( 0.961 0.616 3.981) 4.141 14.105 ( 0.242 -0.171 1.198) 1.234 ======================= Grid point 160 (76/216) ======================= q-point: (-0.10 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -1.752 3.310 -1.179) 3.926 1.085 ( 0.751 3.149 -0.558) 3.285 1.479 ( -1.485 10.410 3.366) 11.041 1.965 ( 6.007 14.125 -1.764) 15.450 2.187 ( 1.735 1.452 4.630) 5.153 2.566 ( -6.629 1.468 4.714) 8.266 3.058 ( 1.711 18.356 -7.661) 19.964 3.638 ( -2.169 23.598 15.774) 28.468 3.946 ( 3.879 -1.366 -7.347) 8.420 4.282 ( -3.616 -1.027 -3.240) 4.962 4.598 ( 4.459 10.996 -6.202) 13.389 5.265 ( -0.519 6.682 8.925) 11.161 5.913 ( 4.419 -9.514 -4.040) 11.241 6.249 ( -4.524 3.738 -0.178) 5.871 6.681 ( 3.552 -8.423 9.831) 13.424 7.400 ( -0.600 -0.775 -3.196) 3.343 7.979 ( -1.078 2.966 -3.440) 4.668 8.188 ( -0.002 5.387 -4.079) 6.757 8.243 ( -3.369 0.259 3.679) 4.995 8.501 ( -3.457 -2.375 2.741) 5.011 11.602 ( 1.647 4.692 2.379) 5.513 11.834 ( 0.831 6.467 -0.834) 6.573 11.981 ( 0.847 -0.195 -0.517) 1.011 12.058 ( -1.493 -2.224 0.034) 2.679 12.466 ( -1.382 -11.450 0.968) 11.574 12.724 ( -1.145 -9.660 -1.747) 9.884 13.623 ( 1.329 1.721 -3.325) 3.973 13.719 ( 0.034 0.131 -1.834) 1.839 14.032 ( -0.006 0.949 2.688) 2.851 14.117 ( 0.369 0.488 1.725) 1.831 ======================= Grid point 161 (77/216) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.277 3.901 -0.216) 3.917 1.121 ( -0.343 0.585 -1.029) 1.233 1.674 ( 0.672 9.470 0.596) 9.513 1.999 ( 1.044 -6.144 -5.494) 8.308 2.445 ( 1.426 6.968 8.223) 10.872 2.518 ( -3.375 2.426 5.877) 7.198 3.446 ( 1.988 19.296 -10.768) 22.186 3.970 ( 3.955 -4.478 -8.604) 10.475 4.007 ( -2.406 10.737 2.699) 11.329 4.176 ( -3.390 -0.524 -0.591) 3.481 4.861 ( 4.081 11.404 3.861) 12.713 5.313 ( -2.799 -2.189 2.872) 4.569 5.908 ( -2.148 1.898 4.287) 5.157 6.168 ( -2.400 -6.759 7.028) 10.042 6.791 ( 5.054 9.573 3.996) 11.539 7.287 ( 1.245 -9.318 -2.562) 9.743 7.987 ( -1.251 2.490 -6.810) 7.358 8.101 ( -5.003 -1.632 -4.084) 6.662 8.355 ( 3.049 3.841 3.364) 5.947 8.444 ( 0.361 -0.913 3.768) 3.893 11.720 ( -0.386 5.195 2.576) 5.811 11.917 ( -1.086 -3.450 0.202) 3.622 11.969 ( 0.882 3.494 0.596) 3.652 12.087 ( 0.387 7.481 -1.800) 7.705 12.236 ( -0.132 -9.985 0.614) 10.005 12.499 ( 0.773 -11.470 -1.980) 11.665 13.673 ( 1.336 1.551 -2.637) 3.339 13.716 ( 0.424 -0.363 -1.672) 1.763 14.058 ( -0.820 1.693 2.400) 3.049 14.120 ( -0.270 -0.993 2.114) 2.351 ======================= Grid point 162 (78/216) ======================= q-point: ( 0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -0.280 2.890 -0.514) 2.949 1.100 ( -1.236 1.169 -1.283) 2.131 1.699 ( 1.647 9.351 0.662) 9.518 1.998 ( 0.411 -3.629 -4.437) 5.747 2.392 ( -6.587 6.261 8.017) 12.118 2.528 ( 0.015 0.593 5.858) 5.888 3.429 ( -0.206 19.513 -10.103) 21.975 3.951 ( -1.713 2.501 -0.148) 3.035 4.016 ( 1.401 -1.912 -7.564) 7.926 4.115 ( -2.959 -0.450 -2.629) 3.984 4.977 ( 5.523 10.000 7.025) 13.412 5.197 ( -9.363 7.287 2.625) 12.152 5.796 ( -9.318 -3.344 3.458) 10.486 6.118 ( -5.891 -12.427 8.404) 16.117 6.935 ( 7.506 9.716 6.598) 13.939 7.294 ( 0.263 -4.799 -3.508) 5.950 7.984 ( 3.045 -0.079 -6.912) 7.553 8.025 ( -1.231 -0.741 -5.152) 5.349 8.426 ( 3.367 3.956 2.685) 5.848 8.492 ( 3.419 -0.127 3.477) 4.878 11.708 ( -1.527 5.157 2.438) 5.905 11.897 ( -0.910 -3.410 0.121) 3.531 11.993 ( 1.173 3.998 0.906) 4.264 12.101 ( 1.622 7.441 -1.773) 7.819 12.254 ( 1.702 -9.326 0.518) 9.494 12.528 ( 2.708 -11.220 -1.714) 11.669 13.692 ( 1.335 1.188 -2.396) 2.989 13.719 ( 0.433 0.034 -1.910) 1.959 14.039 ( -1.912 2.065 2.560) 3.805 14.115 ( -0.977 -1.360 2.260) 2.813 ======================= Grid point 163 (79/216) ======================= q-point: ( 0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -1.733 2.613 -1.860) 3.646 1.080 ( -0.350 0.241 -0.435) 0.608 1.737 ( 2.155 9.047 -0.590) 9.319 1.983 ( -0.945 1.210 -2.176) 2.663 2.299 ( -4.980 3.388 6.191) 8.637 2.524 ( -2.354 -3.511 6.292) 7.580 3.387 ( -0.669 19.026 -9.434) 21.247 3.918 ( -1.927 -2.656 -4.921) 5.915 3.999 ( -0.728 -0.259 -2.348) 2.472 4.036 ( -3.562 -0.486 -6.128) 7.105 4.961 ( -10.317 7.558 3.699) 13.314 5.142 ( 3.333 8.633 9.210) 13.056 5.598 ( -11.900 -6.927 2.262) 13.954 6.013 ( -7.643 -15.858 12.160) 21.395 7.086 ( 5.545 7.072 6.057) 10.837 7.273 ( -0.892 -1.098 -5.854) 6.022 8.028 ( 3.247 1.442 -5.025) 6.154 8.047 ( 5.108 -0.304 -5.047) 7.188 8.503 ( 4.071 4.646 0.908) 6.244 8.581 ( 4.450 -0.427 2.576) 5.160 11.684 ( -1.598 5.836 2.356) 6.493 11.886 ( -0.317 -3.610 0.416) 3.648 12.018 ( 1.137 5.423 1.127) 5.655 12.134 ( 2.380 7.607 -1.981) 8.213 12.295 ( 2.194 -8.465 0.563) 8.763 12.584 ( 3.422 -10.650 -1.807) 11.331 13.704 ( 0.613 1.060 -2.589) 2.864 13.722 ( 0.824 0.167 -2.836) 2.958 14.004 ( -2.533 2.500 3.193) 4.782 14.100 ( -1.322 -2.053 2.623) 3.583 ======================= Grid point 164 (80/216) ======================= q-point: ( 0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -2.361 3.504 -1.985) 4.668 1.077 ( -0.182 -2.224 -0.435) 2.273 1.769 ( 1.582 9.317 -3.596) 10.112 1.960 ( -0.847 4.176 1.774) 4.615 2.241 ( -2.657 0.051 1.459) 3.032 2.482 ( -4.055 -7.314 5.925) 10.249 3.354 ( 0.370 18.442 -8.633) 20.366 3.822 ( -4.591 -4.964 -11.020) 12.930 3.966 ( -1.170 -0.253 -6.049) 6.167 4.001 ( 0.145 1.813 6.404) 6.657 4.799 ( -7.317 3.598 7.437) 11.035 5.148 ( -8.190 -8.439 3.539) 12.281 5.430 ( -3.766 1.537 5.921) 7.184 5.912 ( -7.194 -14.704 13.461) 21.193 7.173 ( 2.066 3.485 1.786) 4.428 7.231 ( -1.064 0.978 -6.345) 6.508 8.106 ( 5.597 3.193 -2.867) 7.053 8.133 ( 4.992 1.203 -3.579) 6.259 8.582 ( 3.905 4.916 -0.873) 6.338 8.666 ( 3.597 -0.736 1.230) 3.873 11.667 ( -0.955 6.799 2.495) 7.305 11.886 ( 0.047 -3.622 0.816) 3.713 12.041 ( 0.828 6.015 1.279) 6.205 12.178 ( 2.750 8.934 -2.375) 9.645 12.333 ( 1.404 -7.998 0.705) 8.151 12.640 ( 2.902 -9.610 -2.117) 10.259 13.699 ( -0.065 1.448 -3.488) 3.777 13.732 ( 1.080 -0.311 -3.623) 3.794 13.967 ( -2.386 2.816 4.032) 5.466 14.083 ( -1.341 -2.897 2.995) 4.378 ======================= Grid point 165 (81/216) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -1.118 2.729 -1.252) 3.203 1.061 ( -1.249 -4.074 -1.214) 4.431 1.765 ( -0.334 9.512 -7.015) 11.824 1.977 ( 1.584 2.836 3.689) 4.915 2.198 ( -1.658 0.738 -1.885) 2.616 2.402 ( -5.608 -9.844 2.190) 11.539 3.350 ( 1.928 17.221 -8.154) 19.151 3.716 ( -2.409 -3.073 -10.210) 10.931 3.974 ( 3.071 -0.550 1.312) 3.385 4.037 ( 0.881 2.954 10.218) 10.673 4.737 ( -2.100 -4.227 8.216) 9.475 4.921 ( -12.639 -15.385 0.928) 19.932 5.444 ( 0.681 3.825 6.210) 7.325 5.818 ( -6.847 -12.937 12.348) 19.150 7.148 ( -2.286 3.531 -8.651) 9.619 7.232 ( 1.298 -0.147 -0.809) 1.537 8.190 ( 3.114 3.603 -0.487) 4.787 8.221 ( 5.259 2.828 -2.108) 6.332 8.638 ( 2.274 4.803 -2.192) 5.749 8.719 ( 1.591 -0.895 -0.284) 1.847 11.662 ( -0.474 7.654 2.816) 8.169 11.892 ( 0.268 -3.437 1.182) 3.645 12.054 ( 0.052 6.063 1.217) 6.184 12.220 ( 2.348 10.534 -2.818) 11.155 12.351 ( 0.237 -8.130 0.905) 8.184 12.677 ( 1.687 -8.533 -2.399) 9.023 13.684 ( -0.072 1.873 -4.206) 4.605 13.738 ( 0.889 -0.853 -4.273) 4.447 13.942 ( -1.574 2.794 4.673) 5.667 14.068 ( -1.176 -3.535 3.104) 4.849 ======================= Grid point 166 (82/216) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.891 0.983 -0.550) 1.436 1.031 ( -0.783 -4.827 -2.536) 5.508 1.720 ( -1.584 8.738 -8.051) 11.987 2.014 ( 0.792 0.984 1.975) 2.344 2.180 ( -0.572 0.445 -1.386) 1.564 2.301 ( -2.942 -8.890 -2.676) 9.739 3.372 ( 2.784 15.548 -8.715) 18.040 3.676 ( 1.013 -0.543 -7.003) 7.097 4.059 ( 1.137 3.903 13.462) 14.063 4.117 ( 5.370 1.031 9.403) 10.877 4.673 ( -7.025 -10.660 3.051) 13.126 4.830 ( 3.999 -10.912 2.655) 11.921 5.466 ( 0.084 -0.347 4.252) 4.267 5.731 ( -5.934 -12.776 11.557) 18.220 7.066 ( -2.975 5.770 -10.465) 12.316 7.250 ( 1.255 -2.578 -2.842) 4.037 8.228 ( 0.934 4.932 0.421) 5.037 8.300 ( 2.941 2.663 0.502) 3.999 8.650 ( -0.288 4.335 -3.013) 5.288 8.722 ( -0.983 -1.112 -1.726) 2.277 11.663 ( -0.454 8.203 3.120) 8.788 11.903 ( 0.396 -3.289 1.481) 3.629 12.050 ( -0.846 6.198 0.818) 6.308 12.242 ( 0.742 11.672 -3.059) 12.089 12.350 ( -0.476 -9.022 1.054) 9.096 12.688 ( 0.262 -8.191 -2.562) 8.586 13.672 ( 0.176 2.169 -4.497) 4.996 13.739 ( 0.621 -1.145 -4.613) 4.793 13.938 ( -0.412 2.415 4.941) 5.515 14.058 ( -0.818 -3.615 2.916) 4.716 ======================= Grid point 167 (83/216) ======================= q-point: (-0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 2.353 0.382 -0.456) 2.427 1.027 ( 1.137 -4.057 -2.994) 5.168 1.669 ( -0.880 8.151 -6.928) 10.734 2.029 ( 0.834 -1.942 -0.389) 2.149 2.105 ( -4.339 0.513 -3.210) 5.421 2.342 ( 5.496 -6.130 0.410) 8.243 3.393 ( 2.387 14.974 -10.036) 18.183 3.700 ( 3.095 -0.277 -5.092) 5.965 4.088 ( -2.344 7.559 14.446) 16.472 4.259 ( 4.722 0.044 10.885) 11.865 4.627 ( 2.208 -0.464 2.484) 3.356 4.954 ( 6.617 -9.826 -0.825) 11.875 5.492 ( 2.254 -6.030 2.362) 6.857 5.684 ( -2.338 -15.531 14.540) 21.403 6.973 ( -3.165 8.553 -11.014) 14.299 7.263 ( 1.286 -4.927 -4.311) 6.672 8.233 ( -0.674 6.010 1.772) 6.301 8.332 ( -0.138 2.870 2.225) 3.634 8.607 ( -3.067 3.398 -3.447) 5.730 8.672 ( -3.335 -1.705 -2.789) 4.670 11.664 ( -0.457 8.336 3.190) 8.937 11.915 ( 0.328 -3.378 1.748) 3.818 12.029 ( -1.434 6.583 0.161) 6.739 12.227 ( -1.257 10.934 -2.689) 11.329 12.342 ( -0.790 -9.422 0.819) 9.491 12.671 ( -1.238 -8.906 -2.665) 9.379 13.663 ( 0.348 2.280 -4.546) 5.098 13.733 ( 0.321 -1.133 -4.467) 4.619 13.957 ( 0.742 1.870 4.863) 5.262 14.057 ( -0.176 -3.023 2.586) 3.982 ======================= Grid point 168 (84/216) ======================= q-point: (-0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 2.359 0.193 -0.846) 2.514 1.046 ( 1.692 -1.805 -1.928) 3.137 1.653 ( 1.087 8.390 -5.130) 9.894 2.008 ( -0.562 -7.230 -9.664) 12.082 2.094 ( 2.156 9.353 7.394) 12.116 2.456 ( 5.117 -7.341 3.467) 9.597 3.400 ( 1.963 15.561 -11.385) 19.381 3.751 ( 3.849 -2.468 -6.039) 7.574 4.077 ( -2.406 11.698 10.588) 15.961 4.343 ( 0.744 -0.234 8.686) 8.721 4.735 ( 6.569 9.973 -0.808) 11.969 5.040 ( 3.160 -5.883 1.984) 6.966 5.563 ( 4.246 -8.057 -0.416) 9.117 5.780 ( 7.136 -19.979 19.293) 28.676 6.878 ( -3.299 11.422 -10.193) 15.660 7.272 ( 1.119 -7.274 -4.978) 8.885 8.216 ( -1.924 6.630 3.192) 7.605 8.312 ( -2.468 3.949 2.481) 5.277 8.514 ( -5.437 2.071 -3.736) 6.915 8.586 ( -4.403 -2.902 -2.576) 5.869 11.668 ( -0.002 7.956 3.010) 8.506 11.924 ( 0.029 -3.716 1.934) 4.189 12.000 ( -1.415 7.006 -0.492) 7.164 12.185 ( -2.163 8.845 -2.144) 9.355 12.323 ( -1.474 -9.448 0.576) 9.579 12.626 ( -2.503 -10.182 -2.738) 10.837 13.656 ( 0.438 2.242 -4.377) 4.937 13.725 ( 0.154 -1.000 -3.826) 3.957 13.993 ( 1.350 1.427 4.411) 4.828 14.068 ( 0.559 -2.057 2.274) 3.117 ======================= Grid point 169 (85/216) ======================= q-point: (-0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.604 1.307 -1.077) 1.798 1.084 ( 2.277 -0.191 -0.656) 2.378 1.664 ( 0.979 8.602 -2.923) 9.138 1.990 ( 1.386 -5.932 -8.553) 10.501 2.192 ( 5.247 10.776 9.005) 14.992 2.543 ( 2.113 -5.953 5.715) 8.518 3.406 ( 2.652 16.722 -12.055) 20.785 3.812 ( 4.928 -3.951 -7.777) 10.019 4.067 ( -1.764 15.439 7.822) 17.397 4.338 ( -3.264 -0.809 4.092) 5.297 4.799 ( 1.388 12.013 -5.711) 13.374 5.152 ( 6.702 -4.851 7.707) 11.307 5.667 ( 6.517 -4.360 3.897) 8.756 6.011 ( 9.237 -17.569 15.244) 25.027 6.786 ( -3.110 13.336 -7.628) 15.675 7.274 ( 0.764 -9.579 -4.857) 10.767 8.165 ( -4.580 6.809 1.549) 8.351 8.277 ( -1.259 4.131 3.130) 5.333 8.382 ( -6.696 1.041 -4.561) 8.168 8.502 ( -3.677 -3.731 -0.053) 5.239 11.684 ( 0.679 7.082 2.769) 7.634 11.928 ( -0.231 -4.080 1.821) 4.474 11.975 ( -0.875 6.880 -0.754) 6.976 12.137 ( -2.032 7.011 -1.867) 7.535 12.290 ( -2.069 -9.669 0.589) 9.906 12.564 ( -2.760 -11.203 -2.693) 11.848 13.654 ( 0.684 2.112 -3.903) 4.490 13.717 ( 0.191 -0.867 -2.926) 3.058 14.031 ( 1.128 1.276 3.610) 3.992 14.090 ( 0.895 -1.272 2.131) 2.638 ======================= Grid point 170 (86/216) ======================= q-point: (-0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.566 3.379 -0.530) 3.467 1.116 ( 1.130 0.104 -0.581) 1.275 1.668 ( 0.172 9.070 -0.699) 9.098 1.995 ( 1.406 -6.586 -6.861) 9.614 2.334 ( 6.000 10.281 8.666) 14.723 2.563 ( -1.995 -1.799 6.365) 6.909 3.427 ( 3.276 18.137 -11.640) 21.799 3.892 ( 5.980 -4.282 -8.479) 11.224 4.049 ( -2.499 15.395 5.538) 16.551 4.259 ( -5.025 -1.134 0.462) 5.172 4.806 ( 1.432 11.086 -1.348) 11.259 5.285 ( 4.011 -6.040 5.138) 8.886 5.826 ( 7.298 2.020 6.174) 9.770 6.164 ( 1.805 -10.348 9.620) 14.243 6.735 ( 0.164 11.777 -2.020) 11.950 7.275 ( 0.871 -10.999 -3.774) 11.661 8.065 ( -4.748 5.376 -3.496) 7.979 8.229 ( -6.862 -1.603 -1.579) 7.221 8.300 ( 1.494 5.064 1.241) 5.423 8.451 ( -2.052 -2.741 2.731) 4.380 11.707 ( 0.701 5.991 2.642) 6.585 11.928 ( -0.290 -4.241 1.121) 4.396 11.962 ( -0.256 5.634 -0.264) 5.646 12.100 ( -1.130 6.646 -1.840) 6.988 12.253 ( -1.741 -9.935 0.670) 10.109 12.513 ( -1.484 -11.561 -2.414) 11.903 13.659 ( 1.057 1.878 -3.226) 3.880 13.714 ( 0.330 -0.676 -2.100) 2.231 14.055 ( 0.300 1.415 2.791) 3.144 14.111 ( 0.527 -0.949 2.115) 2.378 ======================= Grid point 171 (87/216) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.032 -2.175 -0.565) 2.247 1.105 ( 0.032 2.175 -0.565) 2.247 1.849 ( 1.186 -8.479 -2.609) 8.950 1.849 ( 1.186 8.479 -2.609) 8.951 2.529 ( -1.011 -1.623 6.982) 7.239 2.529 ( -1.011 1.623 6.982) 7.239 3.778 ( 3.220 -14.054 -12.274) 18.934 3.778 ( 3.220 14.054 -12.274) 18.934 4.143 ( -3.858 -3.809 -0.686) 5.464 4.143 ( -3.858 3.809 -0.686) 5.464 5.130 ( 2.314 -14.100 7.658) 16.212 5.130 ( 2.314 14.100 7.658) 16.212 6.017 ( -3.949 -7.686 5.824) 10.421 6.017 ( -3.949 7.686 5.824) 10.421 7.043 ( 4.074 -14.236 -0.039) 14.808 7.043 ( 4.074 14.236 -0.039) 14.808 8.050 ( -3.830 -3.345 -5.631) 7.587 8.050 ( -3.830 3.345 -5.631) 7.587 8.415 ( 1.932 -2.221 3.578) 4.633 8.415 ( 1.932 2.221 3.578) 4.633 11.824 ( -0.753 -5.222 1.796) 5.574 11.824 ( -0.753 5.222 1.796) 5.574 12.071 ( 0.154 -6.711 0.139) 6.714 12.071 ( 0.154 6.711 0.139) 6.714 12.276 ( 0.840 -11.031 -1.875) 11.220 12.276 ( 0.840 11.031 -1.875) 11.220 13.701 ( 0.884 -1.160 -2.159) 2.606 13.701 ( 0.884 1.160 -2.159) 2.606 14.092 ( -0.526 -1.725 2.349) 2.961 14.092 ( -0.526 1.725 2.349) 2.961 ======================= Grid point 173 (88/216) ======================= q-point: ( 0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -1.010 -1.795 -0.727) 2.184 1.092 ( -1.010 1.795 -0.727) 2.184 1.870 ( 1.767 -8.106 -2.304) 8.610 1.870 ( 1.767 8.106 -2.304) 8.610 2.499 ( -4.218 -3.679 7.254) 9.162 2.499 ( -4.218 3.679 7.254) 9.162 3.771 ( 0.297 -14.770 -12.704) 19.484 3.771 ( 0.297 14.770 -12.704) 19.484 4.078 ( -2.795 -3.328 -1.350) 4.550 4.078 ( -2.795 3.328 -1.350) 4.550 5.180 ( -0.334 -8.384 7.689) 11.381 5.180 ( -0.334 8.384 7.689) 11.381 5.875 ( -11.207 -10.575 6.366) 16.672 5.875 ( -11.207 10.575 6.366) 16.672 7.140 ( 4.735 -10.158 1.732) 11.340 7.140 ( 4.735 10.158 1.732) 11.340 8.001 ( 1.035 -1.455 -7.046) 7.268 8.001 ( 1.035 1.455 -7.046) 7.268 8.479 ( 3.479 -1.488 3.400) 5.087 8.479 ( 3.479 1.488 3.400) 5.087 11.810 ( -1.077 -5.013 1.506) 5.344 11.810 ( -1.077 5.013 1.506) 5.344 12.088 ( 1.482 -6.169 0.295) 6.351 12.088 ( 1.482 6.169 0.295) 6.351 12.305 ( 2.666 -11.137 -1.587) 11.561 12.305 ( 2.666 11.137 -1.587) 11.561 13.711 ( 0.896 -0.753 -2.160) 2.457 13.711 ( 0.896 0.753 -2.160) 2.457 14.080 ( -1.486 -2.049 2.515) 3.568 14.080 ( -1.486 2.049 2.515) 3.568 ======================= Grid point 175 (89/216) ======================= q-point: ( 0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -1.448 -1.702 -0.801) 2.374 1.066 ( -1.448 1.702 -0.801) 2.374 1.900 ( 2.156 -7.333 -2.842) 8.155 1.900 ( 2.156 7.333 -2.842) 8.155 2.422 ( -6.026 -6.761 7.674) 11.871 2.422 ( -6.026 6.761 7.674) 11.871 3.722 ( -1.018 -14.534 -13.051) 19.561 3.722 ( -1.018 14.534 -13.051) 19.561 4.023 ( -2.256 -0.963 -1.563) 2.909 4.023 ( -2.256 0.963 -1.563) 2.909 5.127 ( -8.055 -8.300 4.625) 12.457 5.127 ( -8.055 8.300 4.625) 12.457 5.701 ( -8.456 -14.626 11.500) 20.437 5.701 ( -8.456 14.626 11.500) 20.437 7.210 ( 2.071 -5.150 0.076) 5.551 7.210 ( 2.071 5.150 0.076) 5.551 8.044 ( 5.165 -0.302 -5.954) 7.888 8.044 ( 5.165 0.302 -5.954) 7.888 8.563 ( 4.174 -1.695 2.251) 5.036 8.563 ( 4.174 1.695 2.251) 5.036 11.797 ( -0.741 -5.366 1.567) 5.639 11.797 ( -0.741 5.366 1.567) 5.639 12.123 ( 1.863 -6.049 0.491) 6.348 12.123 ( 1.863 6.049 0.491) 6.348 12.361 ( 3.590 -11.439 -1.760) 12.118 12.361 ( 3.590 11.439 -1.760) 12.118 13.719 ( 0.717 -0.462 -2.747) 2.877 13.719 ( 0.717 0.462 -2.747) 2.877 14.054 ( -2.045 -2.521 3.028) 4.439 14.054 ( -2.045 2.521 3.028) 4.439 ======================= Grid point 177 (90/216) ======================= q-point: ( 0.30 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -1.885 -2.559 -0.849) 3.290 1.032 ( -1.885 2.559 -0.849) 3.290 1.930 ( 1.984 -6.293 -4.071) 7.753 1.930 ( 1.984 6.293 -4.071) 7.753 2.328 ( -5.859 -7.690 6.767) 11.800 2.328 ( -5.859 7.690 6.767) 11.800 3.657 ( -1.172 -11.829 -13.022) 17.631 3.657 ( -1.172 11.829 -13.022) 17.631 3.994 ( -0.173 -2.216 -0.084) 2.225 3.994 ( -0.173 2.216 -0.084) 2.225 4.923 ( -13.178 -9.798 5.185) 17.221 4.923 ( -13.178 9.798 5.185) 17.221 5.628 ( -4.095 -13.866 12.791) 19.304 5.628 ( -4.095 13.866 12.791) 19.304 7.225 ( 0.182 -1.581 -2.783) 3.206 7.225 ( 0.182 1.581 -2.783) 3.206 8.141 ( 6.072 -0.507 -3.653) 7.104 8.141 ( 6.072 0.507 -3.653) 7.104 8.644 ( 3.597 -1.800 0.723) 4.086 8.644 ( 3.597 1.800 0.723) 4.086 11.793 ( -0.201 -5.779 1.925) 6.094 11.793 ( -0.201 5.779 1.925) 6.094 12.157 ( 1.392 -6.480 0.670) 6.661 12.157 ( 1.392 6.480 0.670) 6.661 12.424 ( 3.426 -11.794 -2.250) 12.486 12.424 ( 3.426 11.794 -2.250) 12.486 13.721 ( 0.493 -0.826 -3.649) 3.774 13.721 ( 0.493 0.826 -3.649) 3.774 14.025 ( -2.050 -2.995 3.663) 5.156 14.025 ( -2.050 2.995 3.663) 5.156 ======================= Grid point 179 (91/216) ======================= q-point: ( 0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -2.047 -3.244 -1.119) 3.996 0.989 ( -2.047 3.244 -1.119) 3.996 1.940 ( 0.403 -7.010 -5.636) 9.004 1.940 ( 0.403 7.010 -5.636) 9.004 2.250 ( -3.813 -5.372 3.479) 7.450 2.250 ( -3.813 5.372 3.479) 7.450 3.609 ( 0.427 -8.525 -11.447) 14.279 3.609 ( 0.427 8.525 -11.447) 14.279 4.025 ( 2.913 -4.172 3.813) 6.359 4.025 ( 2.913 4.172 3.813) 6.359 4.713 ( -9.890 -3.778 7.639) 13.055 4.713 ( -9.890 3.778 7.639) 13.055 5.592 ( -3.905 -10.064 10.313) 14.930 5.592 ( -3.905 10.064 10.313) 14.930 7.207 ( -0.553 -2.306 -5.334) 5.838 7.207 ( -0.553 2.306 -5.334) 5.838 8.237 ( 4.572 -1.028 -1.440) 4.902 8.237 ( 4.572 1.028 -1.440) 4.902 8.697 ( 1.742 -1.639 -0.804) 2.523 8.697 ( 1.742 1.639 -0.804) 2.523 11.799 ( 0.068 -6.019 2.435) 6.493 11.799 ( 0.068 6.019 2.435) 6.493 12.178 ( 0.522 -7.068 0.696) 7.121 12.178 ( 0.522 7.068 0.696) 7.121 12.471 ( 2.196 -11.955 -2.753) 12.463 12.471 ( 2.196 11.955 -2.753) 12.463 13.717 ( 0.418 -1.378 -4.410) 4.639 13.717 ( 0.418 1.378 -4.410) 4.639 14.002 ( -1.569 -3.234 4.077) 5.435 14.002 ( -1.569 3.234 4.077) 5.435 ======================= Grid point 181 (92/216) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -0.258 -2.527 -1.799) 3.113 0.959 ( -0.258 2.527 -1.799) 3.113 1.908 ( -1.447 -9.815 -7.453) 12.408 1.908 ( -1.447 9.815 -7.453) 12.408 2.209 ( -1.012 -2.910 1.063) 3.259 2.209 ( -1.012 2.910 1.063) 3.259 3.602 ( 2.043 -7.563 -10.046) 12.739 3.602 ( 2.043 7.563 -10.046) 12.739 4.126 ( 4.791 -2.400 9.947) 11.298 4.126 ( 4.791 2.400 9.947) 11.298 4.623 ( -1.236 -6.859 7.026) 9.896 4.623 ( -1.236 6.859 7.026) 9.896 5.538 ( -4.510 -6.976 7.822) 11.410 5.538 ( -4.510 6.976 7.822) 11.410 7.174 ( -0.724 -5.000 -7.180) 8.779 7.174 ( -0.724 5.000 -7.180) 8.779 8.301 ( 2.208 -2.255 0.590) 3.211 8.301 ( 2.208 2.255 0.590) 3.211 8.701 ( -0.936 -1.359 -2.180) 2.734 8.701 ( -0.936 1.359 -2.180) 2.734 11.808 ( -0.056 -6.272 2.914) 6.916 11.808 ( -0.056 6.272 2.914) 6.916 12.181 ( -0.353 -7.586 0.503) 7.611 12.181 ( -0.353 7.586 0.503) 7.611 12.486 ( 0.235 -11.986 -3.073) 12.376 12.486 ( 0.235 11.986 -3.073) 12.376 13.711 ( 0.460 -1.743 -4.776) 5.105 13.711 ( 0.460 1.743 -4.776) 5.105 13.992 ( -0.714 -3.086 4.135) 5.209 13.992 ( -0.714 3.086 4.135) 5.209 ======================= Grid point 183 (93/216) ======================= q-point: (-0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 2.246 -1.549 -2.188) 3.497 0.974 ( 2.246 1.549 -2.188) 3.497 1.856 ( -0.896 -10.539 -8.513) 13.578 1.856 ( -0.896 10.539 -8.513) 13.578 2.221 ( 1.742 -6.706 2.319) 7.307 2.221 ( 1.742 6.706 2.319) 7.307 3.615 ( 2.584 -7.959 -10.517) 13.440 3.615 ( 2.584 7.959 -10.517) 13.440 4.233 ( 1.898 -4.351 13.789) 14.583 4.233 ( 1.898 4.351 13.789) 14.583 4.721 ( 9.095 -11.034 3.466) 14.713 4.721 ( 9.095 11.034 3.466) 14.713 5.483 ( -3.100 -5.054 7.868) 9.852 5.483 ( -3.100 5.054 7.868) 9.852 7.137 ( -0.715 -7.784 -8.088) 11.248 7.137 ( -0.715 7.784 -8.088) 11.248 8.326 ( -0.046 -3.099 2.635) 4.068 8.326 ( -0.046 3.099 2.635) 4.068 8.647 ( -3.722 -1.167 -3.437) 5.199 8.647 ( -3.722 1.167 -3.437) 5.199 11.814 ( -0.314 -6.638 3.180) 7.367 11.814 ( -0.314 6.638 3.180) 7.367 12.168 ( -1.058 -7.929 0.192) 8.001 12.168 ( -1.058 7.929 0.192) 8.001 12.461 ( -1.760 -12.008 -3.170) 12.543 12.461 ( -1.760 12.008 -3.170) 12.543 13.704 ( 0.406 -1.855 -4.717) 5.085 13.704 ( 0.406 1.855 -4.717) 5.085 14.001 ( 0.336 -2.594 3.902) 4.698 14.001 ( 0.336 2.594 3.902) 4.698 ======================= Grid point 185 (94/216) ======================= q-point: (-0.30 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 2.742 -1.124 -1.679) 3.406 1.018 ( 2.742 1.124 -1.679) 3.406 1.831 ( 0.901 -9.569 -7.568) 12.233 1.831 ( 0.901 9.569 -7.568) 12.233 2.290 ( 4.109 -9.528 4.872) 11.463 2.290 ( 4.109 9.528 4.872) 11.463 3.636 ( 3.310 -8.796 -11.782) 15.071 3.636 ( 3.310 8.796 -11.782) 15.071 4.284 ( -0.535 -7.109 11.634) 13.644 4.284 ( -0.535 7.109 11.634) 13.644 4.914 ( 8.333 -7.912 -1.197) 11.553 4.914 ( 8.333 7.912 -1.197) 11.553 5.515 ( 4.492 -5.139 12.261) 14.033 5.515 ( 4.492 5.139 12.261) 14.033 7.096 ( -0.959 -10.455 -8.003) 13.202 7.096 ( -0.959 10.455 -8.003) 13.202 8.319 ( -1.858 -3.222 4.601) 5.917 8.319 ( -1.858 3.222 4.601) 5.917 8.543 ( -5.564 -1.564 -4.604) 7.390 8.543 ( -5.564 1.564 -4.604) 7.390 11.817 ( -0.363 -6.833 3.125) 7.522 11.817 ( -0.363 6.833 3.125) 7.522 12.143 ( -1.547 -7.926 -0.037) 8.076 12.143 ( -1.547 7.926 -0.037) 8.076 12.404 ( -2.978 -11.856 -3.090) 12.608 12.404 ( -2.978 11.856 -3.090) 12.608 13.697 ( 0.327 -1.811 -4.246) 4.627 13.697 ( 0.327 1.811 -4.246) 4.627 14.027 ( 1.099 -2.013 3.463) 4.154 14.027 ( 1.099 2.013 3.463) 4.154 ======================= Grid point 187 (95/216) ======================= q-point: (-0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 2.158 -1.833 -0.919) 2.977 1.062 ( 2.158 1.833 -0.919) 2.977 1.834 ( 1.254 -8.709 -5.628) 10.444 1.834 ( 1.254 8.709 -5.628) 10.444 2.397 ( 4.699 -9.074 6.690) 12.214 2.397 ( 4.699 9.074 6.690) 12.214 3.673 ( 4.599 -10.323 -12.377) 16.760 3.673 ( 4.599 10.323 -12.377) 16.760 4.283 ( -2.646 -6.099 6.192) 9.085 4.283 ( -2.646 6.099 6.192) 9.085 5.008 ( 2.910 -9.522 -0.467) 9.967 5.008 ( 2.910 9.522 -0.467) 9.967 5.725 ( 11.461 -10.119 13.325) 20.280 5.725 ( 11.461 10.119 13.325) 20.280 7.049 ( -1.390 -12.976 -6.897) 14.761 7.049 ( -1.390 12.976 -6.897) 14.761 8.277 ( -4.560 -4.017 4.038) 7.297 8.277 ( -4.560 4.017 4.038) 7.297 8.428 ( -4.022 -3.674 -3.691) 6.580 8.428 ( -4.022 3.674 -3.691) 6.580 11.821 ( -0.186 -6.531 2.784) 7.102 11.821 ( -0.186 6.531 2.784) 7.102 12.111 ( -1.711 -7.531 -0.072) 7.723 12.111 ( -1.711 7.531 -0.072) 7.723 12.337 ( -2.841 -11.459 -2.850) 12.145 12.337 ( -2.841 11.459 -2.850) 12.145 13.692 ( 0.435 -1.689 -3.487) 3.899 13.692 ( 0.435 1.689 -3.487) 3.899 14.060 ( 1.142 -1.643 2.953) 3.567 14.060 ( 1.142 1.643 2.953) 3.567 ======================= Grid point 189 (96/216) ======================= q-point: (-0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 1.294 -2.287 -0.532) 2.681 1.093 ( 1.294 2.287 -0.532) 2.681 1.839 ( 0.921 -8.555 -3.789) 9.402 1.839 ( 0.921 8.555 -3.789) 9.402 2.491 ( 2.539 -5.705 7.119) 9.470 2.491 ( 2.539 5.705 7.119) 9.470 3.731 ( 5.191 -12.271 -12.142) 18.027 3.731 ( 5.191 12.271 -12.142) 18.027 4.224 ( -4.351 -3.640 1.246) 5.808 4.224 ( -4.351 3.640 1.246) 5.808 5.062 ( 2.527 -14.341 4.423) 15.219 5.062 ( 2.527 14.341 4.423) 15.219 5.958 ( 7.299 -9.680 9.767) 15.568 5.958 ( 7.299 9.680 9.767) 15.568 7.012 ( -0.077 -14.912 -4.185) 15.488 7.012 ( -0.077 14.912 -4.185) 15.488 8.166 ( -6.471 -4.531 -1.973) 8.142 8.166 ( -6.471 4.531 -1.973) 8.142 8.388 ( -0.200 -3.834 1.648) 4.178 8.388 ( -0.200 3.834 1.648) 4.178 11.826 ( -0.217 -5.851 2.294) 6.288 11.826 ( -0.217 5.851 2.294) 6.288 12.082 ( -1.217 -7.089 0.016) 7.192 12.082 ( -1.217 7.089 0.016) 7.192 12.287 ( -1.322 -11.117 -2.412) 11.452 12.287 ( -1.322 11.117 -2.412) 11.452 13.693 ( 0.684 -1.478 -2.689) 3.144 13.693 ( 0.684 1.478 -2.689) 3.144 14.085 ( 0.489 -1.575 2.532) 3.022 14.085 ( 0.489 1.575 2.532) 3.022 ======================= Grid point 231 (97/216) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 10.205 0.000 10.490) 14.635 0.806 ( -0.008 0.000 5.178) 5.178 1.260 ( -0.602 0.000 16.391) 16.402 1.265 ( 5.921 0.000 9.613) 11.290 1.854 ( -5.265 0.000 30.904) 31.350 2.559 ( -0.535 0.000 1.288) 1.395 2.955 ( -8.232 0.000 9.602) 12.648 3.067 ( -4.710 0.000 15.797) 16.484 3.827 ( 9.733 0.000 -14.110) 17.141 3.890 ( -0.589 0.000 -2.985) 3.042 4.121 ( 0.842 0.000 -7.366) 7.414 4.798 ( -0.576 0.000 0.234) 0.622 6.099 ( 6.497 0.000 -2.204) 6.860 6.262 ( 1.284 0.000 -19.268) 19.311 6.884 ( 2.241 0.000 5.665) 6.092 7.377 ( -5.783 0.000 -1.611) 6.004 7.855 ( -3.105 0.000 6.868) 7.537 7.981 ( 0.664 0.000 0.370) 0.760 8.520 ( -1.676 0.000 -0.101) 1.679 8.523 ( 0.930 0.000 0.675) 1.149 11.536 ( 0.913 0.000 2.911) 3.050 11.648 ( -0.340 0.000 -1.995) 2.023 12.011 ( 0.756 0.000 1.269) 1.477 12.157 ( -0.901 0.000 -1.716) 1.939 12.992 ( 1.038 0.000 1.185) 1.575 13.069 ( -2.730 0.000 -1.093) 2.941 13.546 ( 0.866 0.000 -0.594) 1.050 13.553 ( -0.346 0.000 -1.409) 1.451 14.023 ( 2.330 0.000 0.825) 2.472 14.027 ( -3.043 0.000 1.174) 3.261 ======================= Grid point 232 (98/216) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.727 0.000 1.230) 1.429 0.989 ( 10.336 0.000 0.447) 10.346 1.410 ( 10.283 0.000 13.275) 16.792 1.525 ( 12.037 0.000 9.701) 15.459 1.941 ( 8.425 0.000 25.049) 26.428 2.481 ( -6.442 0.000 -5.586) 8.527 2.884 ( -3.076 0.000 16.736) 17.016 3.067 ( -1.379 0.000 22.387) 22.429 3.959 ( 8.223 0.000 -6.822) 10.684 4.027 ( 14.482 0.000 -13.146) 19.559 4.180 ( 7.519 0.000 -8.656) 11.466 4.817 ( 2.448 0.000 1.394) 2.817 6.234 ( 8.251 0.000 -4.942) 9.617 6.235 ( 2.558 0.000 -20.532) 20.690 6.962 ( 3.298 0.000 9.661) 10.209 7.245 ( -6.994 0.000 -2.028) 7.282 7.822 ( -2.606 0.000 7.416) 7.861 7.981 ( -0.811 0.000 0.460) 0.932 8.436 ( -6.513 0.000 -0.752) 6.556 8.549 ( 1.490 0.000 0.911) 1.747 11.544 ( -1.111 0.000 2.960) 3.162 11.611 ( -2.756 0.000 -2.400) 3.655 12.018 ( -0.537 0.000 1.792) 1.870 12.128 ( -1.517 0.000 -1.959) 2.478 12.985 ( -5.114 0.000 -0.054) 5.114 12.992 ( -1.410 0.000 1.487) 2.049 13.546 ( 0.143 0.000 -1.810) 1.816 13.579 ( 2.648 0.000 -0.420) 2.681 13.973 ( -2.881 0.000 0.854) 3.005 14.085 ( 3.611 0.000 1.324) 3.846 ======================= Grid point 233 (99/216) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.716 0.000 0.213) 0.747 1.132 ( 5.593 0.000 -1.712) 5.849 1.648 ( -0.721 0.000 13.451) 13.470 1.675 ( 12.783 0.000 7.378) 14.759 2.325 ( -7.002 0.000 -6.326) 9.437 2.350 ( 24.637 0.000 6.471) 25.473 2.917 ( -0.015 0.000 19.656) 19.656 3.127 ( -1.423 0.000 30.142) 30.175 4.101 ( 7.841 0.000 -13.279) 15.421 4.250 ( 11.191 0.000 -9.133) 14.444 4.360 ( 14.321 0.000 -5.674) 15.403 4.910 ( 7.223 0.000 1.068) 7.301 6.233 ( 3.653 0.000 -20.545) 20.867 6.361 ( 6.825 0.000 -9.316) 11.549 7.071 ( 4.410 0.000 13.667) 14.361 7.115 ( -5.688 0.000 -0.252) 5.694 7.800 ( -2.123 0.000 7.082) 7.393 7.955 ( -1.999 0.000 0.901) 2.192 8.286 ( -8.609 0.000 -0.511) 8.624 8.582 ( 1.841 0.000 -1.035) 2.112 11.514 ( -2.794 0.000 2.491) 3.743 11.536 ( -4.036 0.000 -2.601) 4.801 12.002 ( -1.725 0.000 2.412) 2.965 12.091 ( -1.493 0.000 -1.984) 2.483 12.889 ( -4.734 0.000 -0.151) 4.736 12.952 ( -3.029 0.000 1.351) 3.316 13.547 ( 0.530 0.000 -1.619) 1.704 13.636 ( 3.186 0.000 -0.697) 3.262 13.927 ( -2.148 0.000 1.665) 2.718 14.160 ( 3.504 0.000 1.011) 3.646 ======================= Grid point 234 (100/216) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 1.388 0.000 1.600) 2.119 1.217 ( 4.242 0.000 -1.523) 4.507 1.647 ( -2.825 0.000 11.223) 11.573 1.917 ( 10.415 0.000 3.719) 11.059 2.189 ( -5.466 0.000 -3.935) 6.735 2.789 ( 17.617 0.000 0.370) 17.621 2.990 ( 0.949 0.000 19.147) 19.170 3.207 ( 0.984 0.000 29.338) 29.355 4.154 ( 2.738 0.000 -14.762) 15.013 4.372 ( 3.609 0.000 -2.442) 4.358 4.660 ( 16.664 0.000 -2.485) 16.849 5.096 ( 11.510 0.000 -1.912) 11.668 6.227 ( 1.538 0.000 -18.224) 18.288 6.426 ( 3.371 0.000 -11.724) 12.199 7.052 ( -0.625 0.000 2.236) 2.322 7.211 ( 5.363 0.000 13.439) 14.470 7.780 ( -2.434 0.000 7.254) 7.652 7.916 ( -2.221 0.000 1.250) 2.549 8.120 ( -7.949 0.000 -0.610) 7.972 8.608 ( 1.554 0.000 -4.166) 4.446 11.451 ( -3.727 0.000 -2.531) 4.505 11.458 ( -3.585 0.000 1.662) 3.951 11.970 ( -2.367 0.000 2.874) 3.724 12.062 ( -0.833 0.000 -1.770) 1.956 12.810 ( -3.289 0.000 -0.288) 3.302 12.893 ( -3.376 0.000 0.888) 3.491 13.554 ( 0.591 0.000 -1.035) 1.192 13.688 ( 2.486 0.000 -1.288) 2.800 13.907 ( -0.593 0.000 3.334) 3.386 14.217 ( 2.210 0.000 0.049) 2.210 ======================= Grid point 235 (101/216) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 2.169 0.000 4.114) 4.651 1.288 ( 3.670 0.000 -2.137) 4.247 1.622 ( -2.866 0.000 9.010) 9.455 2.076 ( 0.333 0.000 -7.447) 7.454 2.109 ( 2.719 0.000 9.285) 9.675 2.958 ( -1.516 0.000 14.289) 14.369 3.060 ( -0.013 0.000 17.628) 17.628 3.366 ( 7.428 0.000 9.246) 11.860 4.136 ( 0.555 0.000 -12.354) 12.367 4.390 ( -1.144 0.000 1.575) 1.946 4.929 ( 11.010 0.000 -0.524) 11.023 5.296 ( 9.223 0.000 -4.245) 10.153 6.176 ( -1.115 0.000 -13.285) 13.332 6.420 ( 0.127 0.000 -12.488) 12.489 7.106 ( 4.818 0.000 3.629) 6.032 7.326 ( 1.593 0.000 7.871) 8.030 7.758 ( -1.934 0.000 11.006) 11.175 7.883 ( -1.578 0.000 1.347) 2.075 8.005 ( -3.152 0.000 -1.402) 3.450 8.613 ( 0.859 0.000 -7.418) 7.467 11.388 ( -1.866 0.000 -2.177) 2.867 11.395 ( -3.117 0.000 0.830) 3.226 11.934 ( -2.254 0.000 2.984) 3.739 12.051 ( 0.232 0.000 -1.415) 1.434 12.767 ( -1.035 0.000 -0.042) 1.036 12.836 ( -2.587 0.000 0.284) 2.603 13.562 ( 0.411 0.000 -0.232) 0.472 13.718 ( 1.078 0.000 -1.934) 2.214 13.927 ( 1.185 0.000 5.043) 5.181 14.240 ( 0.234 0.000 -1.208) 1.231 ======================= Grid point 236 (102/216) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 1.130 0.000 5.430) 5.546 1.332 ( 1.540 0.000 -4.360) 4.623 1.603 ( -1.735 0.000 9.089) 9.253 2.006 ( -3.404 0.000 -1.972) 3.934 2.231 ( 4.554 0.000 7.090) 8.427 2.882 ( -10.172 0.000 13.466) 16.876 3.092 ( -2.259 0.000 16.966) 17.116 3.450 ( -2.499 0.000 6.998) 7.431 4.129 ( 2.925 0.000 -10.474) 10.874 4.346 ( -3.959 0.000 1.325) 4.175 5.056 ( 2.026 0.000 0.488) 2.084 5.383 ( 0.728 0.000 -4.724) 4.780 6.140 ( 1.877 0.000 -9.328) 9.515 6.355 ( -2.783 0.000 -13.409) 13.695 7.230 ( 6.059 0.000 4.777) 7.715 7.280 ( -7.385 0.000 3.379) 8.121 7.809 ( 2.555 0.000 12.472) 12.731 7.867 ( -0.546 0.000 1.316) 1.425 8.000 ( 3.019 0.000 -0.407) 3.046 8.596 ( 0.303 0.000 -9.774) 9.778 11.352 ( -1.447 0.000 0.299) 1.478 11.372 ( 0.898 0.000 -1.659) 1.886 11.907 ( -1.426 0.000 2.722) 3.073 12.063 ( 1.313 0.000 -1.070) 1.693 12.772 ( 1.510 0.000 0.339) 1.547 12.801 ( -1.005 0.000 -0.277) 1.042 13.569 ( 0.290 0.000 0.577) 0.646 13.717 ( -0.482 0.000 -2.391) 2.439 13.978 ( 2.181 0.000 6.014) 6.397 14.219 ( -1.796 0.000 -2.340) 2.950 ======================= Grid point 237 (103/216) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -1.410 0.000 5.038) 5.232 1.306 ( -2.490 0.000 -6.695) 7.143 1.616 ( -0.499 0.000 10.377) 10.389 1.929 ( -5.142 0.000 1.746) 5.431 2.322 ( 2.885 0.000 5.835) 6.509 2.664 ( -14.855 0.000 1.341) 14.915 3.087 ( -3.569 0.000 18.100) 18.448 3.337 ( -12.438 0.000 22.201) 25.448 4.169 ( 4.238 0.000 -12.566) 13.261 4.247 ( -6.240 0.000 -2.226) 6.625 5.011 ( -6.730 0.000 0.352) 6.740 5.301 ( -7.128 0.000 -3.104) 7.774 6.188 ( 5.477 0.000 -9.334) 10.822 6.233 ( -5.198 0.000 -13.494) 14.461 7.124 ( -8.986 0.000 3.594) 9.678 7.352 ( 4.707 0.000 5.833) 7.495 7.870 ( 0.493 0.000 1.238) 1.333 7.877 ( 1.172 0.000 6.202) 6.312 8.117 ( 7.615 0.000 4.648) 8.922 8.567 ( 0.044 0.000 -10.341) 10.341 11.346 ( 0.728 0.000 0.239) 0.766 11.410 ( 3.438 0.000 -1.196) 3.640 11.899 ( -0.171 0.000 2.214) 2.220 12.092 ( 2.002 0.000 -0.865) 2.181 12.798 ( 0.878 0.000 -0.621) 1.075 12.824 ( 3.644 0.000 0.608) 3.695 13.576 ( 0.182 0.000 0.985) 1.001 13.687 ( -1.733 0.000 -2.498) 3.040 14.039 ( 1.995 0.000 6.000) 6.323 14.161 ( -3.209 0.000 -2.949) 4.359 ======================= Grid point 238 (104/216) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -3.311 0.000 4.263) 5.398 1.199 ( -6.439 0.000 -7.850) 10.153 1.618 ( -3.713 0.000 10.443) 11.084 1.795 ( -10.737 0.000 6.861) 12.742 2.340 ( -17.445 0.000 -4.067) 17.913 2.384 ( 2.598 0.000 2.503) 3.608 3.084 ( -2.681 0.000 19.436) 19.620 3.172 ( -12.872 0.000 34.391) 36.721 4.095 ( -7.873 0.000 -7.290) 10.730 4.191 ( 2.301 0.000 -14.865) 15.042 4.810 ( -13.768 0.000 -1.752) 13.879 5.127 ( -9.522 0.000 -1.503) 9.640 6.093 ( -4.787 0.000 -10.628) 11.656 6.262 ( 5.151 0.000 -11.751) 12.830 6.981 ( -6.928 0.000 3.667) 7.839 7.442 ( 2.734 0.000 5.823) 6.433 7.891 ( 1.261 0.000 1.105) 1.677 7.904 ( 0.132 0.000 4.218) 4.220 8.280 ( 7.098 0.000 5.774) 9.150 8.537 ( -0.009 0.000 -8.793) 8.793 11.379 ( 2.419 0.000 0.676) 2.512 11.487 ( 4.717 0.000 -0.981) 4.818 11.914 ( 1.046 0.000 1.640) 1.945 12.129 ( 2.014 0.000 -0.864) 2.192 12.829 ( 2.512 0.000 -0.606) 2.584 12.909 ( 4.833 0.000 0.650) 4.876 13.580 ( -0.067 0.000 0.766) 0.769 13.639 ( -2.360 0.000 -2.235) 3.251 14.085 ( 0.840 0.000 5.121) 5.189 14.086 ( -3.421 0.000 -2.759) 4.395 ======================= Grid point 239 (105/216) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -4.090 0.000 4.276) 5.917 0.999 ( -12.459 0.000 -6.563) 14.082 1.500 ( -11.277 0.000 5.524) 12.557 1.567 ( -15.342 0.000 11.996) 19.475 2.044 ( -13.068 0.000 10.747) 16.920 2.447 ( 3.460 0.000 1.412) 3.737 3.086 ( -6.783 0.000 32.096) 32.805 3.099 ( -2.300 0.000 17.524) 17.674 3.912 ( -7.461 0.000 -12.214) 14.313 4.159 ( -0.913 0.000 -15.856) 15.883 4.493 ( -17.424 0.000 -4.245) 17.933 4.954 ( -7.661 0.000 -0.820) 7.705 6.007 ( -1.154 0.000 -6.159) 6.266 6.301 ( 3.191 0.000 -14.636) 14.980 6.886 ( -4.090 0.000 3.561) 5.424 7.486 ( 0.095 0.000 3.962) 3.963 7.909 ( -1.057 0.000 4.613) 4.732 7.923 ( 1.643 0.000 0.887) 1.867 8.413 ( 5.029 0.000 5.000) 7.092 8.516 ( 0.189 0.000 -5.555) 5.558 11.435 ( 2.984 0.000 1.483) 3.333 11.573 ( 4.283 0.000 -1.099) 4.422 11.946 ( 1.748 0.000 1.195) 2.117 12.159 ( 1.309 0.000 -1.057) 1.682 12.886 ( 3.373 0.000 -0.180) 3.378 13.004 ( 4.710 0.000 0.258) 4.717 13.577 ( -0.409 0.000 0.060) 0.414 13.588 ( -2.186 0.000 -1.717) 2.780 14.023 ( -2.192 0.000 -1.764) 2.813 14.099 ( -0.835 0.000 3.684) 3.777 ======================= Grid point 240 (106/216) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -11.785 0.000 5.060) 12.826 0.820 ( -3.385 0.000 5.925) 6.823 1.295 ( -9.339 0.000 4.667) 10.441 1.336 ( -11.795 0.000 15.525) 19.497 1.901 ( -8.809 0.000 26.074) 27.522 2.520 ( 3.074 0.000 2.851) 4.193 3.073 ( -6.012 0.000 11.863) 13.299 3.090 ( -2.933 0.000 21.248) 21.450 3.779 ( -0.549 0.000 -14.567) 14.577 4.027 ( -8.840 0.000 -11.651) 14.625 4.203 ( -8.391 0.000 -4.834) 9.684 4.840 ( -3.946 0.000 -0.481) 3.975 6.013 ( 3.110 0.000 -2.986) 4.312 6.295 ( 1.543 0.000 -17.223) 17.292 6.851 ( -0.664 0.000 4.042) 4.096 7.465 ( -3.112 0.000 0.852) 3.227 7.891 ( -2.488 0.000 5.626) 6.152 7.957 ( 1.544 0.000 0.619) 1.663 8.501 ( 2.738 0.000 2.888) 3.980 8.511 ( 0.527 0.000 -1.847) 1.921 11.495 ( 2.412 0.000 2.371) 3.382 11.634 ( 2.349 0.000 -1.497) 2.785 11.983 ( 1.641 0.000 1.046) 1.946 12.170 ( 0.172 0.000 -1.374) 1.384 12.949 ( 2.946 0.000 0.525) 2.992 13.075 ( 2.315 0.000 -0.906) 2.486 13.551 ( -1.074 0.000 -1.107) 1.542 13.566 ( -0.598 0.000 -0.738) 0.950 13.998 ( 0.063 0.000 -0.359) 0.364 14.076 ( -2.427 0.000 2.195) 3.272 ======================= Grid point 241 (107/216) ======================= q-point: ( 0.00 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 4.352 3.889 6.292) 8.582 0.883 ( 1.023 4.354 1.902) 4.860 1.295 ( -4.212 7.234 13.096) 15.543 1.455 ( 7.135 13.213 10.937) 18.577 1.948 ( -2.441 9.973 23.194) 25.365 2.526 ( -1.446 -3.133 -0.520) 3.490 2.852 ( -4.841 -2.609 13.572) 14.644 3.278 ( -4.391 14.257 15.018) 21.168 3.854 ( 10.828 2.924 -11.802) 16.281 3.948 ( -1.873 3.908 -6.291) 7.639 4.182 ( 1.169 6.954 -5.180) 8.749 4.851 ( -2.919 5.555 0.342) 6.285 6.098 ( 4.145 -1.621 -6.515) 7.890 6.209 ( 4.955 -2.730 -8.177) 9.943 6.959 ( 0.465 6.973 1.829) 7.224 7.319 ( -5.496 -5.843 1.357) 8.136 7.883 ( -2.959 2.627 3.665) 5.394 7.999 ( 1.502 0.950 -1.254) 2.174 8.426 ( -0.606 -5.621 2.737) 6.282 8.531 ( -0.875 -0.517 0.482) 1.125 11.559 ( 0.889 2.231 3.009) 3.850 11.666 ( -0.267 1.894 -1.707) 2.563 12.001 ( 0.735 -0.871 0.971) 1.497 12.140 ( -0.978 -1.780 -1.661) 2.624 12.906 ( 0.243 -7.867 1.510) 8.015 13.000 ( -1.176 -5.903 -0.357) 6.029 13.558 ( 1.154 0.708 -1.632) 2.120 13.598 ( -0.135 3.034 -2.899) 4.198 14.023 ( -1.384 0.888 1.733) 2.390 14.073 ( 0.440 3.003 0.774) 3.132 ======================= Grid point 242 (108/216) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 1.011 1.828 1.596) 2.629 0.975 ( 7.484 -1.369 -0.562) 7.629 1.365 ( 7.583 1.228 12.369) 14.560 1.614 ( 3.069 5.616 13.698) 15.119 2.095 ( 11.977 13.321 14.343) 22.948 2.459 ( -4.390 -2.018 -4.153) 6.371 2.817 ( -4.098 -1.536 17.664) 18.198 3.287 ( 0.617 16.199 16.577) 23.185 3.928 ( 2.241 -0.679 -6.359) 6.777 4.035 ( 9.883 -1.483 -11.024) 14.880 4.286 ( 11.147 11.132 -5.280) 16.615 4.841 ( 1.701 2.230 1.024) 2.986 6.115 ( 1.918 -6.655 -12.751) 14.510 6.337 ( 9.331 5.034 -6.676) 12.529 6.987 ( 0.952 2.606 5.392) 6.064 7.209 ( -5.860 -3.499 1.796) 7.057 7.845 ( -2.128 2.465 3.927) 5.101 8.008 ( -0.285 1.652 -0.689) 1.812 8.373 ( -5.448 -4.415 1.458) 7.162 8.544 ( 1.880 -0.574 0.689) 2.083 11.563 ( -1.529 1.775 2.732) 3.599 11.635 ( -2.143 2.693 -1.823) 3.895 12.009 ( -0.334 -0.809 1.499) 1.736 12.111 ( -1.397 -1.694 -1.850) 2.871 12.897 ( -1.586 -6.996 1.249) 7.282 12.962 ( -2.405 -4.336 -0.138) 4.960 13.564 ( 0.017 1.819 -1.898) 2.629 13.608 ( 2.048 1.704 -2.161) 3.430 13.983 ( -2.723 1.220 1.657) 3.413 14.110 ( 2.588 1.969 1.144) 3.447 ======================= Grid point 243 (109/216) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -0.087 0.269 -0.206) 0.350 1.095 ( 5.420 -3.051 -1.937) 6.515 1.609 ( 10.914 -4.547 8.993) 14.855 1.662 ( 0.432 2.280 11.955) 12.178 2.304 ( -3.026 -0.388 -7.420) 8.023 2.473 ( 15.817 8.731 5.615) 18.919 2.812 ( -2.659 -3.735 21.359) 21.846 3.380 ( 1.773 17.845 21.889) 28.297 3.994 ( 6.455 -7.444 -10.118) 14.123 4.159 ( 7.327 -6.028 -9.691) 13.563 4.511 ( 11.903 10.513 -2.191) 16.031 4.932 ( 7.637 1.674 0.643) 7.845 6.112 ( 2.043 -8.192 -13.507) 15.929 6.477 ( 7.418 7.241 -11.577) 15.540 6.995 ( -2.623 -5.156 4.098) 7.089 7.160 ( 0.405 2.389 9.361) 9.669 7.827 ( -1.042 2.897 3.745) 4.847 7.987 ( -1.684 2.549 0.307) 3.070 8.250 ( -7.071 -2.570 -0.009) 7.523 8.589 ( 2.476 0.594 -0.773) 2.661 11.518 ( -3.645 0.925 1.190) 3.944 11.583 ( -2.727 4.260 -1.025) 5.160 11.998 ( -1.351 -0.388 2.131) 2.553 12.079 ( -1.252 -1.234 -1.781) 2.502 12.856 ( -2.685 -3.672 0.018) 4.549 12.913 ( -2.786 -3.719 0.703) 4.700 13.558 ( 0.106 1.291 -1.854) 2.262 13.649 ( 2.613 0.757 -1.767) 3.244 13.941 ( -2.193 1.398 2.292) 3.466 14.167 ( 2.737 0.563 1.017) 2.974 ======================= Grid point 244 (110/216) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 1.045 -0.760 1.078) 1.683 1.180 ( 4.222 -3.456 -2.143) 5.862 1.633 ( -3.250 -0.771 10.458) 10.978 1.886 ( 11.746 -2.931 4.318) 12.853 2.185 ( -5.437 -0.250 -5.486) 7.728 2.801 ( 13.673 1.003 0.569) 13.722 2.848 ( 0.029 -6.209 21.256) 22.144 3.466 ( -0.110 17.165 22.270) 28.118 4.063 ( 3.976 -7.641 -13.124) 15.698 4.268 ( 5.693 -8.424 -3.343) 10.703 4.722 ( 11.181 4.860 0.503) 12.202 5.113 ( 10.148 1.256 -1.216) 10.297 6.099 ( 0.486 -9.757 -12.473) 15.844 6.532 ( 2.483 6.876 -13.188) 15.079 6.955 ( -1.233 -7.567 3.231) 8.319 7.248 ( 3.579 1.993 11.729) 12.424 7.825 ( -0.586 4.374 5.175) 6.801 7.954 ( -1.701 3.521 0.549) 3.949 8.122 ( -5.538 0.830 -1.302) 5.749 8.625 ( 1.839 1.513 -3.527) 4.255 11.446 ( -3.781 1.094 0.332) 3.950 11.526 ( -2.812 5.350 -0.966) 6.121 11.974 ( -1.854 0.341 2.532) 3.157 12.054 ( -0.700 -0.754 -1.454) 1.781 12.806 ( -2.229 -0.857 -0.640) 2.472 12.861 ( -2.927 -3.124 1.028) 4.403 13.557 ( 0.273 0.459 -1.397) 1.496 13.689 ( 2.137 -0.066 -1.988) 2.920 13.920 ( -0.799 1.272 3.676) 3.971 14.213 ( 1.772 -0.450 0.186) 1.838 ======================= Grid point 245 (111/216) ======================= q-point: ( 0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 2.467 -0.745 3.637) 4.457 1.245 ( 3.367 -3.999 -2.623) 5.849 1.602 ( -2.865 -1.489 8.245) 8.855 2.075 ( -4.104 -0.685 -5.017) 6.518 2.091 ( 7.793 -1.572 6.427) 10.223 2.888 ( -1.754 -4.192 22.780) 23.229 2.985 ( 3.217 -6.096 -2.138) 7.217 3.529 ( 1.122 11.481 14.406) 18.455 4.070 ( 0.932 -4.920 -9.614) 10.840 4.335 ( 1.498 -5.382 1.623) 5.818 4.937 ( 9.886 0.787 0.854) 9.954 5.270 ( 6.312 -2.417 -3.101) 7.436 6.052 ( -1.325 -10.482 -9.531) 14.229 6.503 ( -1.042 5.582 -12.413) 13.650 6.984 ( 2.632 -10.368 4.493) 11.603 7.315 ( -0.386 -1.328 6.250) 6.401 7.851 ( 1.216 7.892 9.562) 12.458 7.927 ( -1.408 4.062 0.508) 4.329 8.050 ( -0.982 4.856 -2.841) 5.711 8.635 ( 0.839 1.935 -6.560) 6.891 11.386 ( -2.460 1.611 0.544) 2.990 11.474 ( -1.998 6.196 -1.669) 6.721 11.946 ( -1.788 1.193 2.590) 3.365 12.045 ( 0.222 -0.567 -1.065) 1.227 12.775 ( -0.592 0.540 -0.513) 0.952 12.812 ( -2.384 -2.501 0.742) 3.534 13.559 ( 0.255 -0.129 -0.623) 0.685 13.714 ( 1.064 -0.498 -2.465) 2.731 13.935 ( 0.836 0.805 5.123) 5.252 14.231 ( 0.086 -0.918 -0.970) 1.338 ======================= Grid point 246 (112/216) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 1.549 -0.172 4.888) 5.131 1.285 ( 1.629 -4.333 -4.196) 6.248 1.579 ( -2.134 -1.960 8.348) 8.836 1.998 ( -2.519 -0.858 -2.601) 3.721 2.228 ( 4.018 -0.544 7.495) 8.522 2.869 ( -8.326 -0.695 10.413) 13.351 2.960 ( -3.043 -10.586 8.217) 13.742 3.577 ( -1.387 8.525 10.938) 13.937 4.057 ( 0.607 -4.569 -6.182) 7.711 4.342 ( -1.146 -1.030 1.818) 2.383 5.043 ( -0.651 -1.154 0.796) 1.546 5.330 ( 1.688 -5.288 -3.547) 6.588 6.021 ( 1.345 -10.040 -6.522) 12.048 6.421 ( -3.288 4.665 -13.304) 14.476 7.056 ( 1.768 -13.371 7.559) 15.461 7.295 ( -1.207 -0.563 1.021) 1.678 7.891 ( -1.551 5.730 5.336) 7.982 7.919 ( 1.037 5.909 4.411) 7.446 8.078 ( 4.476 7.633 -0.540) 8.866 8.619 ( 0.185 2.019 -8.846) 9.076 11.358 ( -0.672 1.967 1.071) 2.338 11.447 ( -0.067 6.295 -2.184) 6.663 11.924 ( -1.240 1.726 2.301) 3.132 12.057 ( 1.267 -0.552 -0.738) 1.567 12.778 ( -0.739 -1.287 0.274) 1.509 12.784 ( 1.125 -0.136 -0.137) 1.141 13.563 ( 0.228 -0.456 0.175) 0.539 13.713 ( -0.218 -0.435 -2.895) 2.935 13.979 ( 1.861 0.179 5.981) 6.267 14.210 ( -1.694 -0.865 -2.001) 2.761 ======================= Grid point 247 (113/216) ======================= q-point: (-0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -1.055 0.242 3.956) 4.101 1.269 ( -1.909 -3.584 -5.926) 7.184 1.575 ( -1.173 -2.985 9.149) 9.694 1.947 ( -3.942 1.297 2.088) 4.645 2.278 ( -0.832 -4.298 3.140) 5.388 2.671 ( -11.066 0.242 -0.639) 11.087 2.949 ( -3.107 -7.935 18.053) 19.963 3.525 ( -8.486 12.551 18.723) 24.085 4.056 ( 1.087 -7.082 -7.646) 10.478 4.300 ( -3.333 2.552 -2.502) 4.887 4.913 ( -11.343 -7.924 -0.650) 13.852 5.328 ( -1.625 0.980 -0.113) 1.901 6.054 ( 3.352 -9.666 -7.083) 12.444 6.298 ( -4.803 3.381 -13.239) 14.484 7.067 ( -2.471 -7.206 7.140) 10.441 7.321 ( 3.127 -1.752 1.599) 3.925 7.875 ( -0.968 2.893 3.449) 4.605 7.945 ( 0.567 4.954 1.991) 5.369 8.187 ( 5.474 6.247 3.334) 8.950 8.592 ( 0.097 2.167 -9.108) 9.363 11.365 ( 0.923 2.242 1.242) 2.724 11.463 ( 2.405 5.100 -1.890) 5.947 11.916 ( -0.319 1.641 1.818) 2.470 12.086 ( 1.919 -0.582 -0.593) 2.091 12.773 ( 0.519 -2.412 -0.095) 2.469 12.829 ( 3.121 0.130 0.153) 3.127 13.568 ( 0.078 -0.709 0.545) 0.898 13.690 ( -1.144 0.095 -3.031) 3.241 14.035 ( 1.815 -0.291 5.947) 6.224 14.158 ( -2.840 -0.307 -2.493) 3.791 ======================= Grid point 248 (114/216) ======================= q-point: (-0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -2.696 0.665 2.176) 3.528 1.177 ( -5.653 -2.120 -6.528) 8.892 1.577 ( -2.329 -3.326 9.873) 10.675 1.793 ( -14.161 0.394 6.125) 15.434 2.234 ( -2.626 -5.906 -4.740) 8.016 2.510 ( -5.806 7.803 3.506) 10.339 2.952 ( -2.926 -5.765 20.151) 21.162 3.406 ( -10.105 15.126 26.046) 31.770 4.022 ( -2.856 -6.814 -9.753) 12.236 4.205 ( -3.918 1.861 -9.113) 10.093 4.668 ( -12.933 -9.377 -0.874) 15.998 5.255 ( -6.266 8.255 1.446) 10.464 6.061 ( -0.723 -4.380 -10.049) 10.986 6.197 ( -0.749 -3.544 -9.266) 9.949 7.034 ( -2.490 2.363 3.309) 4.768 7.385 ( 1.943 -4.368 4.713) 6.713 7.882 ( 0.657 0.755 2.643) 2.826 7.958 ( 0.298 3.874 0.907) 3.990 8.289 ( 4.024 1.311 3.066) 5.226 8.570 ( 0.221 2.726 -6.549) 7.097 11.400 ( 2.267 2.236 1.336) 3.453 11.521 ( 3.980 3.486 -1.276) 5.442 11.924 ( 0.678 1.032 1.327) 1.813 12.122 ( 1.845 -0.754 -0.685) 2.108 12.796 ( 1.845 -3.275 -0.140) 3.762 12.896 ( 3.690 -1.360 0.235) 3.940 13.567 ( -0.388 -1.051 0.191) 1.136 13.657 ( -1.203 1.150 -2.798) 3.256 14.075 ( -0.236 -0.483 3.446) 3.488 14.099 ( -1.720 0.789 -0.536) 1.967 ======================= Grid point 249 (115/216) ======================= q-point: (-0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -3.318 1.341 0.079) 3.579 1.009 ( -9.809 0.731 -4.079) 10.648 1.506 ( -12.208 -3.237 10.686) 16.544 1.539 ( -8.161 4.349 7.372) 11.826 2.134 ( -8.101 5.970 5.493) 11.464 2.474 ( 0.599 3.985 3.113) 5.092 2.951 ( -4.003 -4.169 19.706) 20.536 3.333 ( -5.742 13.599 24.883) 28.932 3.877 ( -6.972 -3.701 -12.441) 14.734 4.122 ( -1.761 -1.585 -12.240) 12.467 4.433 ( -11.042 -2.978 -1.831) 11.582 5.108 ( -8.916 12.183 0.915) 15.125 6.008 ( -0.446 0.394 -6.819) 6.845 6.188 ( 1.621 -9.107 -9.243) 13.077 6.995 ( -2.138 8.056 0.502) 8.350 7.416 ( -0.490 -6.151 5.290) 8.128 7.912 ( 1.489 0.066 2.099) 2.574 7.960 ( -0.388 3.375 0.535) 3.439 8.359 ( 2.616 -3.603 1.615) 4.736 8.560 ( 0.017 2.887 -2.371) 3.736 11.456 ( 2.934 2.104 1.831) 4.048 11.596 ( 3.872 2.369 -1.061) 4.662 11.948 ( 1.341 0.206 0.948) 1.655 12.148 ( 1.080 -1.109 -0.966) 1.825 12.838 ( 2.364 -4.743 0.245) 5.306 12.963 ( 2.952 -3.705 0.110) 4.738 13.555 ( -0.619 -1.033 -0.680) 1.383 13.631 ( -0.626 2.312 -2.518) 3.475 14.040 ( -1.625 1.424 -0.855) 2.324 14.102 ( -0.495 0.423 3.443) 3.504 ======================= Grid point 250 (116/216) ======================= q-point: (-0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -7.017 3.779 0.330) 7.977 0.886 ( -2.303 5.430 3.868) 7.053 1.369 ( -4.021 6.098 11.874) 13.940 1.408 ( -8.615 8.598 8.974) 15.122 1.998 ( -8.805 9.443 18.632) 22.668 2.515 ( 1.776 -0.087 2.385) 2.975 2.914 ( -5.540 -4.751 14.876) 16.570 3.315 ( -4.302 12.496 19.252) 23.352 3.766 ( 1.331 0.008 -13.184) 13.251 4.034 ( -3.693 0.977 -10.482) 11.157 4.251 ( -6.433 4.340 -3.448) 8.492 4.949 ( -7.228 10.336 0.292) 12.616 6.023 ( 3.581 1.301 -3.132) 4.932 6.188 ( 1.696 -8.654 -10.568) 13.764 6.962 ( -1.099 9.154 -0.042) 9.219 7.396 ( -3.097 -6.661 3.409) 8.098 7.924 ( -1.965 2.444 3.404) 4.628 7.966 ( 1.874 0.957 -1.217) 2.431 8.404 ( 1.622 -5.840 1.676) 6.289 8.550 ( -0.810 1.375 0.319) 1.627 11.516 ( 2.492 2.171 2.533) 4.164 11.652 ( 2.187 1.873 -1.285) 3.153 11.977 ( 1.373 -0.512 0.791) 1.665 12.155 ( -0.029 -1.517 -1.332) 2.019 12.881 ( 1.773 -6.595 0.933) 6.892 13.002 ( 1.057 -5.869 -0.149) 5.965 13.547 ( 0.277 -0.238 -1.366) 1.414 13.614 ( -0.398 2.959 -2.759) 4.065 14.024 ( -0.021 1.975 0.351) 2.006 14.089 ( -1.633 1.372 2.116) 3.005 ======================= Grid point 251 (117/216) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 3.084 5.291 1.275) 6.256 0.962 ( -1.983 4.188 -0.950) 4.730 1.457 ( -2.557 7.649 11.377) 13.946 1.737 ( 1.896 14.373 4.515) 15.184 2.220 ( 2.635 15.945 11.214) 19.671 2.463 ( -3.226 -2.023 -0.974) 3.930 2.875 ( -2.582 4.407 11.838) 12.893 3.581 ( -1.451 15.992 12.562) 20.387 3.893 ( 7.444 -0.060 -10.154) 12.591 4.018 ( -2.241 3.427 -9.184) 10.056 4.394 ( 5.579 13.997 0.908) 15.095 5.013 ( -8.236 10.491 -0.488) 13.347 6.011 ( 0.604 -4.733 -4.941) 6.868 6.234 ( 9.018 3.764 1.704) 9.920 7.110 ( -0.082 5.748 -0.719) 5.793 7.166 ( -5.878 -7.589 3.678) 10.280 7.934 ( -1.135 1.253 -0.268) 1.712 7.994 ( 0.971 -0.839 -4.603) 4.778 8.354 ( 0.348 -1.263 4.841) 5.016 8.517 ( -1.766 -0.751 0.584) 2.006 11.616 ( 0.461 3.440 3.258) 4.761 11.728 ( 0.314 4.535 -1.055) 4.667 11.982 ( 0.639 -0.930 0.177) 1.143 12.090 ( -1.163 -3.144 -1.296) 3.595 12.712 ( -0.200 -11.436 1.856) 11.587 12.857 ( -0.092 -8.649 -1.746) 8.824 13.574 ( 1.872 1.022 -1.663) 2.704 13.643 ( -0.231 1.643 -3.335) 3.725 14.049 ( -1.533 1.640 2.725) 3.530 14.127 ( 0.388 2.337 0.919) 2.541 ======================= Grid point 252 (118/216) ======================= q-point: ( 0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -2.636 3.862 -0.920) 4.765 0.962 ( 5.300 0.867 -0.037) 5.370 1.470 ( 1.153 7.398 9.785) 12.321 1.754 ( -1.598 9.167 8.916) 12.887 2.335 ( 2.900 6.309 -1.616) 7.129 2.449 ( 4.358 4.947 5.226) 8.412 2.856 ( -3.609 5.449 13.426) 14.933 3.613 ( 1.829 15.667 7.800) 17.596 3.942 ( -2.405 1.318 -5.780) 6.397 3.986 ( 4.891 -2.686 -9.800) 11.277 4.569 ( 10.522 16.717 2.611) 19.925 4.906 ( -2.052 4.567 0.197) 5.011 5.993 ( -0.665 -5.278 -5.746) 7.831 6.428 ( 10.065 3.919 -0.181) 10.803 7.025 ( -6.042 -0.876 -3.076) 6.837 7.144 ( 0.185 -0.946 7.664) 7.724 7.907 ( -0.961 3.172 -0.977) 3.455 8.009 ( 1.408 -1.827 -3.024) 3.803 8.324 ( -4.441 0.117 2.891) 5.300 8.534 ( 2.938 -0.232 1.137) 3.159 11.607 ( -2.274 2.775 2.452) 4.346 11.720 ( -0.776 5.860 -0.735) 5.957 11.990 ( -0.014 -1.077 0.726) 1.299 12.066 ( -0.869 -2.701 -1.386) 3.158 12.716 ( 0.048 -11.077 1.738) 11.212 12.849 ( -0.204 -7.083 -1.758) 7.300 13.601 ( 0.892 1.589 -1.897) 2.630 13.632 ( 0.711 1.040 -3.301) 3.533 14.018 ( -2.513 2.122 2.848) 4.351 14.146 ( 1.178 1.507 1.171) 2.243 ======================= Grid point 253 (119/216) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -1.907 0.884 -1.147) 2.395 1.055 ( 4.219 -0.562 -1.429) 4.490 1.563 ( 4.631 0.385 7.446) 8.777 1.756 ( -0.079 7.000 7.990) 10.623 2.292 ( -3.618 -0.859 -7.010) 7.935 2.628 ( 9.035 5.772 5.515) 12.057 2.832 ( -3.040 5.999 15.192) 16.614 3.702 ( 4.137 12.713 8.090) 15.627 3.886 ( -0.503 -3.140 -8.264) 8.855 4.044 ( 4.057 -4.634 -6.187) 8.730 4.728 ( 4.266 11.269 4.032) 12.707 4.974 ( 8.401 3.362 2.191) 9.310 5.951 ( -1.800 -8.127 -6.100) 10.320 6.578 ( 5.124 1.748 -2.407) 5.925 6.909 ( -4.411 -2.418 -4.838) 6.979 7.193 ( 1.927 0.930 10.566) 10.780 7.899 ( 0.394 3.647 -0.049) 3.669 8.022 ( 0.651 0.356 -1.755) 1.906 8.242 ( -3.804 3.010 -0.144) 4.852 8.603 ( 3.456 0.753 0.214) 3.543 11.555 ( -3.501 2.931 1.646) 4.854 11.695 ( -1.479 7.125 -0.859) 7.327 11.987 ( -0.580 -0.842 1.395) 1.730 12.050 ( -0.449 -1.461 -1.114) 1.891 12.722 ( 0.006 -9.488 1.519) 9.608 12.835 ( -0.779 -4.591 -1.686) 4.952 13.591 ( -0.513 1.835 -2.687) 3.294 13.654 ( 1.993 -0.071 -2.707) 3.363 13.979 ( -2.368 2.381 3.341) 4.737 14.175 ( 1.311 0.162 1.189) 1.777 ======================= Grid point 254 (120/216) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.842 -0.477 0.279) 1.007 1.116 ( 2.933 -2.303 -2.397) 4.433 1.616 ( -1.864 -1.286 7.007) 7.364 1.855 ( 8.349 1.202 3.669) 9.198 2.182 ( -5.303 -0.079 -6.463) 8.360 2.773 ( 3.279 -2.554 6.740) 7.919 2.855 ( 1.342 5.157 11.120) 12.331 3.729 ( -4.114 5.980 5.013) 8.821 3.937 ( 7.898 -3.010 -5.650) 10.167 4.111 ( 4.145 -5.755 -0.534) 7.112 4.815 ( 4.811 4.134 3.707) 7.347 5.150 ( 7.254 3.359 2.927) 8.513 5.883 ( -3.366 -12.202 -5.583) 13.834 6.602 ( -1.717 -2.270 1.403) 3.173 6.835 ( -1.231 -2.059 -8.835) 9.155 7.263 ( 1.344 -0.530 8.127) 8.255 7.928 ( 2.372 5.459 3.858) 7.093 8.024 ( 0.008 2.830 -0.944) 2.983 8.195 ( -0.348 7.353 -3.575) 8.184 8.656 ( 2.265 1.452 -2.019) 3.364 11.495 ( -3.112 3.898 1.592) 5.236 11.662 ( -1.466 8.470 -1.667) 8.756 11.979 ( -0.629 -0.013 1.615) 1.733 12.040 ( -0.350 -0.441 -0.499) 0.753 12.724 ( -0.372 -7.575 1.395) 7.711 12.810 ( -1.127 -2.209 -1.517) 2.907 13.574 ( -0.400 1.207 -2.374) 2.693 13.681 ( 1.674 -0.736 -3.058) 3.563 13.954 ( -1.322 2.143 4.253) 4.942 14.199 ( 0.775 -1.042 0.639) 1.448 ======================= Grid point 255 (121/216) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 3.129 -0.554 2.607) 4.111 1.157 ( 2.333 -4.383 -3.075) 5.840 1.581 ( -3.061 -0.537 5.975) 6.735 2.028 ( 3.686 -2.946 2.264) 5.234 2.079 ( 0.660 0.190 -3.201) 3.274 2.800 ( -2.183 -8.189 3.345) 9.111 2.910 ( 0.106 2.547 9.139) 9.488 3.654 ( -2.788 -0.502 -1.708) 3.308 4.052 ( 2.864 4.348 5.260) 7.401 4.206 ( 5.269 -6.818 2.573) 8.993 4.948 ( 7.575 -0.397 2.332) 7.936 5.223 ( -0.959 -1.648 0.367) 1.942 5.806 ( -2.360 -13.898 -2.915) 14.395 6.556 ( -3.067 -2.834 1.734) 4.522 6.794 ( -0.746 -5.730 -6.307) 8.554 7.279 ( -0.836 -2.186 1.907) 3.019 8.010 ( 2.991 7.477 6.646) 10.442 8.018 ( 0.136 5.074 0.287) 5.084 8.203 ( 2.557 10.286 -5.212) 11.811 8.674 ( 0.736 1.798 -4.665) 5.054 11.451 ( -1.956 5.022 2.039) 5.762 11.631 ( -1.090 9.656 -2.556) 10.047 11.974 ( -0.405 1.376 1.523) 2.092 12.034 ( -0.052 -0.292 -0.023) 0.298 12.717 ( -0.802 -6.312 1.488) 6.535 12.789 ( -0.383 -0.504 -1.442) 1.574 13.563 ( -0.144 0.568 -1.632) 1.734 13.697 ( 1.023 -1.177 -3.568) 3.894 13.957 ( 0.060 1.458 5.188) 5.389 14.205 ( -0.296 -1.693 -0.231) 1.735 ======================= Grid point 256 (122/216) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 2.192 -0.388 3.621) 4.250 1.184 ( 1.474 -5.683 -3.865) 7.029 1.549 ( -2.241 -0.708 6.326) 6.748 1.981 ( -1.236 -0.513 -3.611) 3.851 2.203 ( 3.694 -1.807 6.623) 7.796 2.698 ( -6.577 -14.078 -7.085) 17.078 2.921 ( -2.563 4.932 13.924) 14.992 3.637 ( 1.433 -2.731 -2.611) 4.041 4.077 ( -2.438 6.865 9.346) 11.850 4.303 ( 3.299 -2.529 3.863) 5.675 5.014 ( -7.704 -2.123 0.908) 8.043 5.185 ( 3.799 -9.135 -1.280) 9.976 5.799 ( 1.864 -11.507 -0.191) 11.659 6.491 ( -3.544 1.107 -6.246) 7.266 6.778 ( 0.019 -12.954 4.535) 13.725 7.271 ( 0.673 -1.786 -2.820) 3.405 8.002 ( -1.046 6.090 0.794) 6.230 8.074 ( 0.549 8.619 3.780) 9.428 8.261 ( 4.226 10.073 -1.465) 11.021 8.659 ( -0.233 1.726 -6.794) 7.013 11.433 ( -0.688 5.649 2.612) 6.262 11.607 ( -0.446 9.834 -3.023) 10.298 11.970 ( -0.601 2.789 1.189) 3.091 12.043 ( 0.980 -0.847 0.223) 1.314 12.704 ( -0.853 -5.555 1.398) 5.791 12.792 ( 1.094 -0.316 -1.278) 1.712 13.558 ( 0.040 0.088 -0.907) 0.912 13.697 ( 0.249 -1.186 -3.966) 4.147 13.987 ( 1.138 0.587 5.773) 5.913 14.186 ( -1.427 -1.584 -1.000) 2.355 ======================= Grid point 257 (123/216) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.294 -0.169 1.953) 1.982 1.180 ( -0.772 -5.222 -4.264) 6.786 1.535 ( -1.413 -0.759 6.834) 7.020 1.975 ( -1.030 1.796 1.873) 2.791 2.169 ( -6.766 -6.339 -2.736) 9.667 2.617 ( 0.986 -6.532 -1.728) 6.828 2.901 ( -3.652 4.095 13.577) 14.643 3.669 ( 1.529 -0.009 0.765) 1.710 4.019 ( -6.216 5.360 7.278) 10.970 4.341 ( -0.595 2.079 0.998) 2.382 4.763 ( -14.543 -6.516 0.199) 15.937 5.292 ( 4.520 -5.143 2.128) 7.170 5.852 ( 3.317 -10.047 -0.467) 10.591 6.372 ( -5.661 4.320 -12.163) 14.094 6.834 ( 2.889 -15.318 12.029) 19.690 7.294 ( 2.857 -1.700 -4.779) 5.821 7.981 ( -1.637 7.158 2.066) 7.628 8.067 ( -1.267 7.532 -0.123) 7.639 8.325 ( 1.968 7.272 0.717) 7.567 8.633 ( -0.131 1.522 -6.541) 6.717 11.440 ( 0.458 5.505 2.892) 6.235 11.600 ( 0.828 8.718 -2.760) 9.182 11.960 ( -0.663 2.819 0.843) 3.016 12.070 ( 1.662 -1.049 0.160) 1.972 12.697 ( -0.268 -5.546 1.127) 5.666 12.818 ( 1.881 -1.533 -1.113) 2.670 13.556 ( -0.065 -0.304 -0.692) 0.759 13.685 ( -0.190 -0.676 -3.955) 4.017 14.031 ( 1.432 -0.085 5.711) 5.889 14.148 ( -1.941 -0.699 -1.278) 2.427 ======================= Grid point 258 (124/216) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -1.069 0.939 -0.971) 1.723 1.125 ( -3.742 -3.056 -3.871) 6.191 1.525 ( -2.581 -1.316 7.718) 8.244 1.830 ( -11.559 3.376 2.822) 12.368 2.137 ( 3.924 -3.734 -4.736) 7.195 2.649 ( 0.023 4.785 2.868) 5.578 2.889 ( -1.502 0.450 13.335) 13.427 3.674 ( -3.598 9.561 11.184) 15.148 3.896 ( -6.373 -3.455 -4.175) 8.365 4.273 ( -5.359 5.472 -4.415) 8.840 4.542 ( -8.473 -2.743 3.177) 9.455 5.347 ( 0.092 0.102 4.395) 4.397 5.912 ( 3.262 -8.917 -1.754) 9.656 6.219 ( -5.894 5.336 -11.398) 13.897 6.942 ( 3.930 -12.069 11.386) 17.051 7.334 ( 2.138 -1.448 -3.817) 4.608 7.950 ( -2.176 6.475 2.035) 7.128 8.044 ( -0.539 5.040 -1.524) 5.293 8.336 ( -0.629 3.218 -0.570) 3.328 8.616 ( -0.110 1.503 -3.247) 3.579 11.469 ( 1.606 4.873 2.784) 5.838 11.623 ( 2.253 6.815 -1.933) 7.433 11.953 ( -0.223 1.921 0.609) 2.027 12.100 ( 1.359 -1.384 -0.178) 1.948 12.700 ( 0.179 -6.571 1.058) 6.658 12.849 ( 1.560 -3.721 -1.193) 4.208 13.549 ( -0.295 -0.493 -1.129) 1.267 13.670 ( -0.037 0.164 -3.458) 3.462 14.068 ( 0.366 -0.202 4.374) 4.394 14.114 ( -0.946 0.641 -0.300) 1.181 ======================= Grid point 259 (125/216) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -2.357 2.099 -4.437) 5.445 1.028 ( -4.189 1.361 -0.503) 4.434 1.483 ( -3.495 1.414 8.807) 9.580 1.688 ( -4.028 9.594 3.317) 10.921 2.195 ( 1.716 0.543 0.945) 2.033 2.619 ( -3.594 9.208 2.727) 10.254 2.909 ( -1.847 -0.288 13.185) 13.317 3.605 ( -6.472 13.642 16.342) 22.250 3.796 ( -1.085 -3.838 -10.531) 11.261 4.163 ( -3.460 6.228 -7.806) 10.568 4.428 ( -5.192 2.482 2.436) 6.249 5.317 ( -4.846 7.282 4.070) 9.647 5.964 ( 2.853 -7.347 -2.910) 8.401 6.102 ( -2.506 4.549 -6.917) 8.650 7.038 ( 2.826 -7.142 7.339) 10.624 7.334 ( -1.598 -0.170 -1.156) 1.979 7.925 ( -0.463 1.777 -0.047) 1.837 8.035 ( -0.188 4.377 -1.866) 4.762 8.316 ( -0.815 -0.482 -0.060) 0.949 8.600 ( -1.228 0.960 -0.288) 1.585 11.518 ( 2.533 4.235 2.772) 5.660 11.668 ( 2.750 5.065 -1.220) 5.891 11.956 ( 0.346 0.703 0.383) 0.872 12.117 ( 0.435 -2.013 -0.628) 2.153 12.707 ( 0.092 -8.402 1.306) 8.504 12.866 ( 0.567 -6.363 -1.444) 6.550 13.542 ( 0.140 -0.094 -1.602) 1.611 13.662 ( 0.177 0.866 -3.045) 3.170 14.066 ( -0.805 1.135 1.580) 2.106 14.117 ( 0.268 0.981 2.192) 2.416 ======================= Grid point 260 (126/216) ======================= q-point: (-0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -2.343 4.548 -1.966) 5.481 0.990 ( -0.990 4.798 0.319) 4.909 1.469 ( -1.902 5.054 10.797) 12.072 1.675 ( 1.534 15.261 3.180) 15.665 2.200 ( -2.039 8.548 7.717) 11.695 2.542 ( -4.771 4.119 1.645) 6.514 2.892 ( -3.260 2.170 11.916) 12.543 3.575 ( -2.279 13.735 14.629) 20.195 3.795 ( 4.558 1.687 -9.444) 10.621 4.087 ( -1.875 4.789 -10.296) 11.509 4.361 ( -1.768 7.634 1.037) 7.904 5.188 ( -9.041 12.279 1.105) 15.289 6.000 ( 1.904 -6.080 -3.827) 7.433 6.103 ( 3.982 3.725 -1.049) 5.553 7.093 ( 1.214 -1.634 3.149) 3.750 7.269 ( -4.884 -1.391 0.927) 5.162 7.932 ( 1.043 -1.726 -0.954) 2.231 8.014 ( -1.095 3.742 -3.439) 5.199 8.320 ( 0.939 -2.072 2.932) 3.711 8.564 ( -2.592 -0.028 0.827) 2.720 11.576 ( 2.369 3.864 3.091) 5.486 11.711 ( 1.856 4.198 -1.009) 4.700 11.968 ( 0.722 -0.366 0.155) 0.824 12.112 ( -0.609 -2.719 -1.037) 2.973 12.711 ( -0.207 -10.351 1.681) 10.488 12.864 ( -0.095 -8.368 -1.661) 8.531 13.549 ( 1.177 0.606 -1.711) 2.164 13.655 ( 0.050 1.335 -3.087) 3.364 14.060 ( -0.551 1.643 2.039) 2.676 14.123 ( -0.179 1.803 1.544) 2.381 ======================= Grid point 261 (127/216) ======================= q-point: ( 0.00 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 1.407 4.546 0.236) 4.764 1.043 ( -1.713 3.718 -2.161) 4.629 1.587 ( -0.291 5.974 6.762) 9.027 1.925 ( 1.208 3.269 -3.740) 5.112 2.465 ( 4.349 7.861 7.656) 11.804 2.528 ( -6.341 8.957 4.896) 12.017 3.023 ( 0.160 10.900 3.806) 11.547 3.844 ( 1.384 0.397 -9.338) 9.448 3.868 ( 3.280 7.023 0.930) 7.807 4.076 ( -3.139 2.430 -7.204) 8.225 4.698 ( 7.192 16.542 8.230) 19.827 5.224 ( -9.706 10.003 -1.383) 14.006 5.971 ( -0.990 0.980 4.064) 4.296 6.312 ( 7.113 3.410 2.942) 8.419 6.959 ( 0.138 -9.077 9.364) 13.042 7.240 ( -3.153 3.147 -6.613) 7.974 7.891 ( 1.794 -3.262 -3.142) 4.871 8.010 ( -2.960 0.872 -5.539) 6.340 8.370 ( 1.470 2.397 4.872) 5.625 8.507 ( -1.303 -0.221 1.315) 1.864 11.693 ( -0.315 4.425 3.756) 5.813 11.840 ( 1.177 6.567 -0.493) 6.690 11.973 ( 0.486 0.395 -1.059) 1.231 12.023 ( -1.313 -3.497 -0.378) 3.754 12.478 ( -0.553 -12.050 1.875) 12.208 12.665 ( 0.841 -10.784 -3.174) 11.273 13.598 ( 1.789 1.408 -1.662) 2.819 13.666 ( 0.039 0.710 -3.098) 3.178 14.083 ( -1.248 1.680 3.225) 3.844 14.159 ( 0.117 0.832 1.232) 1.492 ======================= Grid point 262 (128/216) ======================= q-point: ( 0.10 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -2.118 2.852 -2.077) 4.115 1.021 ( 1.435 3.917 -0.203) 4.176 1.604 ( -0.041 6.164 5.908) 8.539 1.915 ( -1.083 4.654 -1.107) 4.905 2.393 ( -5.895 4.973 2.047) 7.979 2.603 ( 4.411 6.380 7.707) 10.934 3.029 ( -0.961 11.834 4.851) 12.826 3.818 ( -0.130 2.087 -8.911) 9.153 3.909 ( 0.514 -0.430 -8.510) 8.536 4.020 ( -0.742 3.887 -0.233) 3.964 4.899 ( 10.034 15.763 10.143) 21.262 5.035 ( -8.771 9.431 0.218) 12.881 5.921 ( -5.057 -2.144 2.189) 5.913 6.457 ( 4.994 -2.289 5.776) 7.971 6.969 ( -0.779 -1.724 0.956) 2.120 7.177 ( -1.044 2.234 -1.782) 3.042 7.937 ( 2.655 -1.423 -2.056) 3.647 7.956 ( -0.088 -1.864 -4.307) 4.694 8.375 ( -1.515 4.479 2.008) 5.137 8.537 ( 3.453 0.486 1.789) 3.919 11.675 ( -2.375 4.226 2.990) 5.696 11.856 ( 0.449 7.636 -0.158) 7.650 11.968 ( -0.621 -1.224 -0.365) 1.420 12.018 ( 0.822 -1.545 -0.656) 1.869 12.487 ( 0.850 -11.873 1.711) 12.026 12.684 ( 2.017 -9.714 -3.095) 10.393 13.625 ( 1.438 1.060 -1.793) 2.531 13.653 ( -0.212 0.972 -3.576) 3.712 14.060 ( -2.106 2.137 3.444) 4.568 14.164 ( 0.082 0.295 1.420) 1.452 ======================= Grid point 263 (129/216) ======================= q-point: ( 0.20 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -2.848 3.898 -2.309) 5.351 1.062 ( 2.175 0.807 -0.450) 2.363 1.617 ( -0.244 4.653 3.612) 5.895 1.895 ( -0.511 5.435 0.932) 5.538 2.294 ( -4.835 2.309 -1.687) 5.617 2.687 ( 1.738 0.815 7.377) 7.622 3.022 ( -1.310 12.176 5.782) 13.543 3.800 ( 0.642 -3.299 -10.930) 11.435 3.833 ( -2.396 -0.757 -11.402) 11.675 4.051 ( 1.978 3.512 6.162) 7.363 4.909 ( -4.617 6.901 3.198) 8.898 5.118 ( 8.511 11.554 10.234) 17.625 5.800 ( -7.930 -6.886 1.728) 10.644 6.503 ( -2.754 -8.798 10.494) 13.968 6.938 ( -0.106 4.732 -13.843) 14.630 7.197 ( 1.685 -0.477 5.280) 5.563 7.947 ( 1.906 1.200 -1.121) 2.516 8.009 ( 3.713 -0.931 -1.407) 4.078 8.360 ( 0.240 7.715 -1.600) 7.883 8.616 ( 3.743 0.495 1.084) 3.928 11.632 ( -2.737 4.913 2.588) 6.191 11.856 ( -0.082 9.096 -0.939) 9.144 11.961 ( -0.114 -1.737 0.841) 1.934 12.035 ( 0.965 0.263 -0.601) 1.167 12.516 ( 1.448 -11.049 1.741) 11.278 12.715 ( 1.957 -7.903 -3.155) 8.732 13.624 ( -0.613 1.471 -3.117) 3.501 13.653 ( 1.273 0.065 -3.083) 3.336 14.028 ( -2.337 2.505 3.816) 5.128 14.170 ( 0.005 -0.670 1.571) 1.708 ======================= Grid point 264 (130/216) ======================= q-point: ( 0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -0.434 3.026 -0.801) 3.160 1.088 ( 0.855 -1.053 -1.984) 2.403 1.612 ( -1.253 2.016 1.624) 2.876 1.916 ( 2.680 3.354 0.712) 4.352 2.190 ( -5.017 1.580 -4.111) 6.675 2.704 ( -2.485 -4.720 4.917) 7.254 3.024 ( -0.326 11.551 6.594) 13.304 3.688 ( -4.610 -5.778 -13.104) 15.045 3.889 ( 7.657 -3.193 -3.687) 9.079 4.115 ( 2.206 3.136 8.615) 9.430 4.873 ( -0.509 2.111 3.812) 4.387 5.255 ( 1.686 5.595 7.036) 9.146 5.649 ( -7.622 -9.543 4.130) 12.893 6.445 ( -6.471 -11.403 14.021) 19.196 6.883 ( -0.523 4.852 -17.714) 18.374 7.232 ( 0.361 -2.500 1.345) 2.862 8.021 ( 5.387 3.848 2.241) 6.990 8.070 ( 2.745 2.166 -0.213) 3.503 8.376 ( 2.281 9.760 -4.531) 11.000 8.676 ( 2.366 0.553 -0.690) 2.526 11.595 ( -1.949 6.194 2.780) 7.064 11.851 ( -0.025 10.447 -1.853) 10.610 11.967 ( 0.398 -1.054 1.185) 1.635 12.049 ( 0.504 1.447 -0.129) 1.538 12.546 ( 0.966 -10.014 1.974) 10.252 12.736 ( 1.275 -5.870 -3.207) 6.809 13.601 ( -0.677 1.442 -3.160) 3.538 13.666 ( 1.108 -0.681 -3.629) 3.855 14.000 ( -1.777 2.445 4.354) 5.300 14.173 ( -0.291 -1.637 1.356) 2.145 ======================= Grid point 265 (131/216) ======================= q-point: ( 0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 2.324 0.504 0.793) 2.507 1.084 ( -0.254 -3.253 -3.346) 4.673 1.583 ( -2.034 1.227 1.511) 2.815 1.988 ( 3.025 -1.386 -2.140) 3.956 2.106 ( -0.621 2.769 -1.692) 3.304 2.609 ( -8.098 -10.332 -1.062) 13.170 3.050 ( 0.564 10.473 6.845) 12.524 3.586 ( -1.655 -4.282 -10.443) 11.408 4.068 ( 10.333 -4.420 2.751) 11.571 4.183 ( 1.519 4.402 11.039) 11.981 4.909 ( 3.245 -3.038 1.956) 4.857 5.174 ( -10.907 -6.484 1.003) 12.729 5.592 ( -0.642 -4.292 8.951) 9.948 6.370 ( -5.762 -13.095 16.043) 21.496 6.804 ( -2.131 4.132 -17.270) 17.885 7.225 ( -0.150 -3.531 -3.914) 5.273 8.108 ( 1.619 4.521 -0.160) 4.804 8.144 ( 5.337 5.601 4.350) 8.876 8.411 ( 2.824 10.062 -5.429) 11.777 8.698 ( 0.460 0.598 -2.841) 2.939 11.576 ( -1.052 7.535 3.384) 8.327 11.839 ( -0.529 10.912 -2.506) 11.209 11.986 ( 1.301 0.193 0.919) 1.605 12.052 ( -0.201 2.296 0.209) 2.314 12.563 ( 0.061 -9.122 2.236) 9.393 12.745 ( 0.857 -4.425 -3.140) 5.493 13.581 ( -0.381 1.287 -2.627) 2.950 13.672 ( 0.823 -1.241 -4.310) 4.560 13.990 ( -0.721 1.894 4.875) 5.279 14.166 ( -0.761 -2.204 0.870) 2.489 ======================= Grid point 266 (132/216) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 2.152 -1.328 1.379) 2.880 1.069 ( 0.124 -5.971 -3.844) 7.102 1.555 ( -1.435 1.365 2.702) 3.350 1.981 ( 0.267 -0.024 -5.165) 5.172 2.179 ( 2.729 -0.126 3.960) 4.811 2.424 ( -6.710 -13.015 -6.912) 16.192 3.073 ( -0.560 10.096 5.846) 11.680 3.567 ( 2.470 -2.859 -7.803) 8.670 4.224 ( -1.289 5.770 11.923) 13.309 4.267 ( 7.684 -0.065 6.754) 10.231 4.916 ( -14.454 -8.899 -0.143) 16.974 5.005 ( 6.270 -8.405 -0.438) 10.495 5.634 ( 1.439 -3.913 9.046) 9.961 6.342 ( -2.287 -14.832 17.315) 22.913 6.697 ( -3.515 3.712 -15.387) 16.214 7.218 ( 1.418 -3.857 -7.265) 8.347 8.126 ( 0.296 6.450 0.940) 6.525 8.229 ( 1.939 6.749 1.992) 7.299 8.446 ( 2.083 8.392 -3.258) 9.240 8.679 ( -1.056 0.239 -4.717) 4.839 11.573 ( -0.614 8.346 4.091) 9.315 11.816 ( -0.944 10.734 -2.963) 11.175 12.020 ( 1.768 0.680 0.670) 2.010 12.042 ( -0.890 2.934 0.209) 3.073 12.564 ( -0.583 -8.597 2.315) 8.922 12.751 ( 0.751 -4.266 -3.020) 5.281 13.570 ( -0.132 1.066 -2.121) 2.377 13.671 ( 0.570 -1.365 -4.654) 4.884 14.003 ( 0.373 1.087 5.209) 5.334 14.150 ( -1.118 -2.075 0.417) 2.393 ======================= Grid point 267 (133/216) ======================= q-point: (-0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.791 -1.335 -0.119) 1.556 1.068 ( 0.660 -6.043 -3.056) 6.804 1.543 ( -1.055 1.420 3.920) 4.300 2.008 ( 3.786 -1.788 -5.627) 7.014 2.062 ( -10.262 -1.270 -1.268) 10.417 2.472 ( 8.710 -7.019 0.886) 11.221 3.059 ( -2.479 10.592 4.069) 11.614 3.618 ( 4.786 -2.934 -7.074) 9.031 4.167 ( -8.523 7.622 9.123) 14.628 4.389 ( 2.792 2.623 4.566) 5.960 4.678 ( -9.546 -2.064 2.336) 10.042 5.134 ( 6.939 -10.310 0.498) 12.438 5.695 ( 2.071 -5.384 8.215) 10.037 6.381 ( 0.317 -10.848 11.704) 15.961 6.599 ( -1.643 -0.498 -6.976) 7.184 7.235 ( 2.926 -4.601 -8.672) 10.244 8.129 ( -0.454 7.650 1.862) 7.887 8.227 ( -2.160 8.060 -1.139) 8.422 8.454 ( -0.897 5.631 -1.746) 5.964 8.642 ( -0.968 -0.690 -4.203) 4.368 11.577 ( -0.342 8.273 4.452) 9.401 11.791 ( -0.526 10.235 -3.007) 10.681 12.021 ( -1.325 2.493 0.401) 2.852 12.053 ( 1.457 0.542 0.222) 1.571 12.557 ( -0.898 -8.647 2.192) 8.965 12.753 ( 0.302 -5.504 -3.008) 6.279 13.561 ( -0.099 0.865 -2.071) 2.247 13.667 ( 0.537 -1.009 -4.350) 4.498 14.034 ( 1.021 0.400 5.158) 5.274 14.130 ( -0.966 -1.228 0.263) 1.585 ======================= Grid point 268 (134/216) ======================= q-point: (-0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 1.082 0.426 -2.275) 2.555 1.060 ( -0.657 -3.292 -1.863) 3.839 1.536 ( -0.908 2.296 4.541) 5.169 1.890 ( -4.479 0.899 -5.569) 7.204 2.103 ( 5.383 1.424 1.118) 5.679 2.642 ( 7.007 -4.172 4.413) 9.273 3.016 ( -2.649 10.865 2.602) 11.482 3.685 ( 4.214 -4.537 -8.439) 10.467 3.988 ( -10.247 9.757 4.083) 14.727 4.394 ( -2.758 4.716 -1.007) 5.556 4.575 ( -3.539 6.545 6.815) 10.090 5.264 ( 5.729 -7.649 3.803) 10.286 5.765 ( 2.706 -5.424 7.584) 9.709 6.357 ( -3.308 5.723 -6.122) 9.009 6.648 ( 4.909 -14.125 12.249) 19.330 7.271 ( 3.439 -5.525 -8.625) 10.805 8.113 ( -3.241 9.207 2.535) 10.085 8.160 ( -2.443 6.755 -3.406) 7.950 8.400 ( -3.456 2.950 -3.075) 5.487 8.619 ( -0.912 -1.389 -0.736) 1.817 11.590 ( 0.416 7.457 4.281) 8.608 11.781 ( 0.458 9.073 -2.448) 9.408 11.996 ( -1.260 2.139 0.258) 2.496 12.074 ( 0.598 -0.770 0.032) 0.975 12.543 ( -1.269 -9.328 2.062) 9.637 12.740 ( -0.682 -7.617 -3.153) 8.272 13.554 ( 0.110 0.966 -2.269) 2.468 13.666 ( 0.655 -0.508 -3.597) 3.691 14.067 ( 0.713 0.187 4.457) 4.518 14.120 ( -0.044 -0.104 0.649) 0.659 ======================= Grid point 269 (135/216) ======================= q-point: (-0.20 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -1.117 2.015 -3.033) 3.808 1.056 ( 0.847 1.147 -0.599) 1.547 1.547 ( 0.470 4.505 4.996) 6.744 1.850 ( 1.330 4.713 -4.235) 6.475 2.213 ( 5.132 3.483 4.532) 7.682 2.727 ( -0.521 0.097 4.944) 4.973 2.991 ( -0.551 9.728 2.840) 10.149 3.714 ( 2.631 -4.185 -10.568) 11.667 3.872 ( -2.692 13.176 3.052) 13.790 4.300 ( -5.389 4.820 -4.959) 8.768 4.555 ( -1.108 11.398 7.442) 13.657 5.364 ( 2.773 -2.087 4.622) 5.780 5.845 ( 3.264 -3.267 7.265) 8.609 6.266 ( -3.195 10.034 -6.995) 12.642 6.793 ( 4.940 -14.616 13.765) 20.677 7.305 ( 2.434 -5.070 -7.476) 9.355 8.006 ( -6.120 6.576 -1.934) 9.189 8.137 ( -0.650 5.992 -2.690) 6.600 8.329 ( -2.538 1.255 -0.783) 2.938 8.593 ( -2.042 -1.736 1.435) 3.040 11.621 ( 1.477 6.333 3.990) 7.629 11.793 ( 1.322 7.531 -1.659) 7.823 11.977 ( -0.781 1.313 0.005) 1.527 12.075 ( -0.479 -1.947 -0.261) 2.022 12.521 ( -1.706 -10.405 2.041) 10.740 12.709 ( -1.378 -9.673 -3.314) 10.317 13.555 ( 0.799 1.344 -2.176) 2.679 13.669 ( 0.651 -0.108 -3.013) 3.084 14.084 ( -0.083 0.781 3.165) 3.261 14.133 ( 0.774 0.436 1.545) 1.783 ======================= Grid point 270 (136/216) ======================= q-point: (-0.10 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -0.153 4.550 -1.144) 4.694 1.066 ( 0.031 2.848 -1.255) 3.113 1.571 ( -0.019 5.312 6.130) 8.112 1.890 ( 3.473 4.491 -4.503) 7.246 2.332 ( 5.509 7.788 7.530) 12.153 2.660 ( -7.059 5.202 4.638) 9.920 3.004 ( 0.519 9.647 3.347) 10.225 3.767 ( 6.173 -0.800 -9.258) 11.156 3.860 ( -0.454 10.942 2.048) 11.141 4.178 ( -5.001 3.164 -7.117) 9.256 4.585 ( 2.238 14.997 7.110) 16.748 5.367 ( -4.091 4.991 1.139) 6.553 5.931 ( 2.962 0.255 6.712) 7.341 6.225 ( 1.238 7.683 -2.336) 8.125 6.904 ( 2.395 -12.164 11.394) 16.838 7.303 ( -0.726 -1.155 -6.350) 6.495 7.907 ( -2.666 0.904 -3.548) 4.529 8.088 ( -2.971 3.336 -5.491) 7.078 8.322 ( 1.157 1.745 3.795) 4.334 8.550 ( -2.890 -1.404 1.934) 3.750 11.666 ( 1.570 5.267 3.965) 6.777 11.816 ( 1.489 6.485 -1.058) 6.738 11.969 ( 0.045 0.557 -0.502) 0.751 12.054 ( -1.448 -2.893 -0.464) 3.268 12.494 ( -1.609 -11.460 2.022) 11.747 12.675 ( -0.785 -10.823 -3.313) 11.346 13.571 ( 1.519 1.560 -1.856) 2.861 13.670 ( 0.439 0.280 -2.854) 2.901 14.089 ( -0.468 1.339 2.979) 3.299 14.150 ( 0.438 0.753 1.438) 1.681 ======================= Grid point 271 (137/216) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.267 3.540 -0.146) 3.553 1.094 ( -0.639 1.253 -1.746) 2.242 1.698 ( 0.822 5.494 2.047) 5.920 1.899 ( 1.805 -4.164 -4.693) 6.528 2.613 ( 0.427 6.382 8.452) 10.599 2.659 ( -3.423 3.928 8.145) 9.669 3.277 ( 2.188 13.950 -5.911) 15.308 3.733 ( 3.328 -8.042 -14.381) 16.810 4.017 ( -1.739 5.124 -1.697) 5.671 4.107 ( -2.827 0.381 -5.949) 6.597 5.026 ( 5.541 16.316 11.845) 20.910 5.358 ( -4.163 2.504 1.377) 5.050 6.036 ( -4.918 5.274 8.927) 11.476 6.313 ( -0.584 -4.549 6.755) 8.164 6.878 ( 6.355 2.527 4.580) 8.231 7.207 ( 1.683 -6.536 -5.762) 8.874 7.874 ( -1.793 1.846 -4.319) 5.027 7.998 ( -4.586 -2.042 -5.907) 7.752 8.429 ( 2.164 3.151 3.859) 5.432 8.503 ( 0.242 -0.461 2.144) 2.206 11.787 ( -0.961 4.934 4.210) 6.557 11.928 ( -1.042 -0.769 0.916) 1.586 11.980 ( 1.111 1.706 0.418) 2.079 12.040 ( 0.543 7.358 -2.984) 7.958 12.254 ( -0.504 -10.580 1.400) 10.684 12.444 ( 1.386 -11.554 -3.714) 12.215 13.628 ( 1.397 1.575 -1.836) 2.793 13.670 ( 0.457 -0.267 -2.685) 2.737 14.114 ( -0.857 1.517 3.055) 3.517 14.161 ( -0.172 -0.553 1.765) 1.857 ======================= Grid point 272 (138/216) ======================= q-point: ( 0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -1.529 3.154 -1.059) 3.661 1.077 ( -0.352 1.486 -0.960) 1.804 1.718 ( 0.580 5.581 1.395) 5.782 1.913 ( 1.214 -3.467 -4.567) 5.861 2.540 ( -7.276 8.028 7.133) 12.972 2.677 ( -0.523 1.367 8.562) 8.687 3.283 ( 0.246 13.311 -4.563) 14.073 3.721 ( 0.605 -8.205 -15.254) 17.331 3.964 ( -3.195 3.333 -5.323) 7.046 4.058 ( -0.889 -0.367 -1.411) 1.708 5.155 ( 0.837 10.928 9.059) 14.220 5.256 ( -3.560 9.930 3.648) 11.162 5.915 ( -9.833 2.534 8.821) 13.451 6.314 ( -2.723 -11.549 11.057) 16.219 7.009 ( 5.755 5.121 -1.125) 7.786 7.191 ( -0.818 -1.266 -5.768) 5.961 7.891 ( 4.007 -1.397 -2.310) 4.832 7.930 ( -0.373 -1.812 -4.107) 4.504 8.468 ( 1.263 4.299 1.445) 4.708 8.545 ( 3.215 0.052 1.957) 3.765 11.768 ( -2.063 4.977 3.611) 6.486 11.914 ( -0.683 -2.327 1.641) 2.928 12.008 ( 1.435 3.351 0.646) 3.702 12.053 ( 1.724 7.894 -3.209) 8.694 12.268 ( 1.481 -10.126 1.063) 10.289 12.476 ( 3.010 -11.287 -3.631) 12.233 13.646 ( 1.040 1.036 -2.087) 2.551 13.666 ( -0.002 0.266 -3.174) 3.185 14.100 ( -1.634 1.866 3.267) 4.103 14.158 ( -0.652 -0.889 1.932) 2.224 ======================= Grid point 273 (139/216) ======================= q-point: ( 0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -2.203 4.015 -1.727) 4.894 1.072 ( -0.197 -0.162 -0.441) 0.510 1.724 ( -0.198 5.866 -0.469) 5.889 1.919 ( 1.034 -2.540 -4.648) 5.397 2.410 ( -8.056 8.540 5.002) 12.761 2.668 ( -3.237 -2.888 7.655) 8.799 3.269 ( -0.277 12.344 -2.712) 12.642 3.664 ( -1.806 -8.225 -15.021) 17.221 3.878 ( -2.444 3.899 -6.897) 8.291 4.063 ( 1.120 -2.620 2.443) 3.754 5.049 ( -8.185 8.094 3.817) 12.128 5.303 ( 0.139 2.864 6.744) 7.328 5.748 ( -9.801 4.885 12.895) 16.918 6.275 ( -5.561 -13.932 14.822) 21.089 7.045 ( 0.390 5.346 -13.109) 14.162 7.177 ( 0.625 -1.564 -2.249) 2.810 7.960 ( 4.804 0.534 -1.164) 4.972 7.993 ( 5.969 -0.858 -0.559) 6.056 8.501 ( 2.227 6.056 -1.157) 6.556 8.617 ( 3.452 -0.513 1.097) 3.658 11.740 ( -1.742 5.840 3.375) 6.966 11.913 ( -0.067 -2.668 2.375) 3.573 12.035 ( 1.289 6.088 0.544) 6.247 12.082 ( 2.293 7.095 -3.300) 8.154 12.309 ( 2.239 -9.539 1.020) 9.851 12.528 ( 3.444 -10.869 -3.880) 12.043 13.648 ( -0.322 0.897 -3.116) 3.259 13.657 ( 0.555 0.260 -3.245) 3.302 14.074 ( -2.039 2.228 3.563) 4.671 14.149 ( -0.942 -1.472 2.160) 2.779 ======================= Grid point 274 (140/216) ======================= q-point: ( 0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -1.934 4.094 -1.461) 4.757 1.059 ( -0.994 -2.029 -1.391) 2.654 1.703 ( -1.475 6.607 -2.842) 7.342 1.928 ( 1.485 -2.530 -4.975) 5.775 2.274 ( -6.821 6.981 1.574) 9.887 2.589 ( -7.285 -7.003 4.485) 11.056 3.263 ( 0.379 11.638 -1.055) 11.691 3.569 ( -2.546 -6.033 -12.978) 14.536 3.875 ( 4.143 2.655 -2.098) 5.349 4.116 ( 3.193 -3.723 4.763) 6.837 4.925 ( -5.892 3.822 4.591) 8.390 5.213 ( -10.708 -9.125 2.808) 14.346 5.667 ( -3.961 10.587 17.179) 20.565 6.198 ( -7.364 -13.535 16.524) 22.594 6.986 ( -1.192 5.311 -16.016) 16.916 7.169 ( -0.291 -3.843 -5.990) 7.123 8.080 ( 7.053 2.272 0.549) 7.430 8.105 ( 5.450 1.175 0.946) 5.655 8.542 ( 2.644 6.806 -3.165) 7.958 8.675 ( 2.293 -0.792 -0.368) 2.453 11.727 ( -0.743 7.000 3.700) 7.953 11.922 ( 0.053 -2.435 2.878) 3.770 12.060 ( 1.082 7.121 0.350) 7.211 12.117 ( 2.415 8.030 -3.592) 9.122 12.351 ( 1.589 -9.351 1.324) 9.577 12.578 ( 2.903 -10.105 -4.264) 11.346 13.628 ( -0.519 1.231 -3.527) 3.772 13.656 ( 0.434 -0.381 -3.719) 3.763 14.047 ( -1.878 2.378 3.871) 4.916 14.136 ( -1.121 -2.078 2.197) 3.225 ======================= Grid point 275 (141/216) ======================= q-point: ( 0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -0.753 1.834 -1.456) 2.460 1.019 ( -2.419 -3.473 -3.028) 5.204 1.657 ( -1.951 6.526 -3.819) 7.809 1.941 ( 1.418 -4.239 -6.513) 7.899 2.183 ( -2.132 4.769 -0.075) 5.224 2.420 ( -10.452 -8.496 -0.325) 13.473 3.274 ( 0.775 11.121 -0.258) 11.151 3.516 ( 0.729 -3.072 -9.352) 9.871 4.021 ( 10.260 0.633 4.351) 11.163 4.212 ( 4.761 -2.332 7.487) 9.174 4.855 ( -2.715 -2.026 2.992) 4.519 4.972 ( -14.045 -10.456 2.952) 17.757 5.659 ( -2.998 8.474 16.375) 18.680 6.107 ( -7.427 -13.282 17.681) 23.328 6.905 ( -1.934 5.853 -16.328) 17.453 7.139 ( -0.053 -5.273 -9.495) 10.861 8.188 ( 3.863 3.418 0.381) 5.173 8.223 ( 5.984 2.283 2.423) 6.848 8.574 ( 1.756 6.439 -4.195) 7.883 8.697 ( 0.273 -0.757 -1.990) 2.146 11.733 ( -0.132 8.010 4.412) 9.146 11.931 ( -0.059 -1.484 2.681) 3.065 12.074 ( 0.117 6.344 0.595) 6.372 12.149 ( 2.141 9.803 -4.187) 10.873 12.375 ( 0.431 -9.507 1.778) 9.682 12.610 ( 1.842 -9.336 -4.527) 10.538 13.609 ( -0.284 1.414 -3.336) 3.635 13.652 ( 0.417 -0.895 -4.302) 4.414 14.030 ( -1.203 2.141 4.122) 4.798 14.121 ( -1.144 -2.411 2.039) 3.358 ======================= Grid point 276 (142/216) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 1.190 -1.293 -1.838) 2.543 0.964 ( -1.464 -4.407 -4.058) 6.168 1.615 ( -1.256 5.167 -2.421) 5.843 1.929 ( -0.311 -6.597 -8.699) 10.922 2.192 ( -1.399 0.895 1.136) 2.012 2.245 ( -1.895 -4.101 -2.804) 5.317 3.284 ( 0.248 10.564 -0.806) 10.598 3.528 ( 2.845 -1.895 -7.409) 8.159 4.254 ( 10.252 1.269 8.585) 13.431 4.329 ( 3.702 1.986 9.836) 10.696 4.733 ( -9.975 -7.006 1.964) 12.347 4.846 ( 1.389 -7.878 -1.393) 8.120 5.650 ( -3.026 4.709 15.858) 16.816 6.041 ( -5.033 -14.633 19.923) 25.227 6.814 ( -2.143 7.445 -15.857) 17.649 7.116 ( 1.135 -6.539 -11.264) 13.074 8.244 ( 1.890 5.329 1.435) 5.833 8.322 ( 3.434 2.467 1.557) 4.506 8.578 ( -0.194 4.971 -3.898) 6.320 8.671 ( -2.003 -0.884 -3.482) 4.113 11.744 ( -0.355 8.646 5.195) 10.093 11.937 ( -0.024 0.069 1.737) 1.739 12.067 ( -1.117 5.202 0.772) 5.376 12.168 ( 1.066 10.347 -4.254) 11.238 12.380 ( -0.549 -9.849 2.098) 10.085 12.618 ( 0.533 -9.198 -4.598) 10.297 13.596 ( -0.039 1.513 -3.093) 3.443 13.647 ( 0.579 -1.124 -4.506) 4.680 14.029 ( -0.227 1.577 4.284) 4.571 14.107 ( -0.864 -2.243 1.853) 3.035 ======================= Grid point 277 (143/216) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 2.253 -1.575 -2.174) 3.504 0.962 ( 2.307 -4.200 -3.163) 5.742 1.596 ( -0.247 4.239 -0.424) 4.267 1.875 ( -1.727 -8.508 -9.845) 13.126 2.137 ( 0.281 5.633 1.542) 5.847 2.356 ( 8.516 -5.198 0.949) 10.022 3.273 ( -0.834 10.556 -2.532) 10.888 3.561 ( 2.718 -3.666 -7.751) 8.995 4.316 ( -6.007 7.831 5.750) 11.423 4.430 ( 3.047 1.484 6.185) 7.052 4.673 ( 2.473 1.093 3.105) 4.117 4.920 ( 7.253 -10.829 -1.787) 13.155 5.657 ( -1.016 1.809 16.166) 16.299 6.057 ( 0.103 -17.281 22.421) 28.308 6.732 ( -1.447 9.720 -14.276) 17.331 7.111 ( 2.088 -7.985 -11.525) 14.176 8.273 ( 0.592 6.786 2.231) 7.167 8.355 ( -0.472 4.390 -0.221) 4.421 8.537 ( -3.160 2.765 -3.364) 5.380 8.609 ( -2.804 -2.305 -3.207) 4.844 11.749 ( -0.865 8.798 5.529) 10.427 11.942 ( 0.116 2.067 0.572) 2.148 12.039 ( -1.864 3.774 0.888) 4.302 12.162 ( -0.411 9.274 -3.631) 9.968 12.369 ( -1.235 -10.215 2.082) 10.498 12.600 ( -0.944 -9.900 -4.559) 10.940 13.587 ( 0.140 1.674 -3.039) 3.473 13.646 ( 0.775 -1.140 -4.138) 4.361 14.047 ( 0.634 0.958 4.258) 4.410 14.101 ( -0.232 -1.586 1.761) 2.381 ======================= Grid point 278 (144/216) ======================= q-point: (-0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 2.630 -0.211 -1.876) 3.237 1.008 ( 3.103 -1.940 -1.714) 4.041 1.606 ( 1.342 4.701 0.563) 4.922 1.833 ( 0.589 -5.559 -8.150) 9.882 2.210 ( 5.658 8.153 4.282) 10.809 2.531 ( 8.221 -6.838 4.233) 11.501 3.242 ( -0.937 11.316 -4.573) 12.241 3.581 ( 2.394 -6.093 -9.339) 11.405 4.200 ( -5.351 11.076 -1.368) 12.377 4.432 ( -3.195 -0.242 -0.586) 3.257 4.750 ( 3.194 9.493 5.201) 11.286 5.091 ( 9.220 -9.199 3.161) 13.402 5.725 ( 2.878 1.997 16.510) 16.878 6.178 ( 4.594 -17.859 21.394) 28.244 6.673 ( -0.376 11.123 -11.042) 15.678 7.121 ( 2.472 -9.569 -10.851) 14.677 8.284 ( -0.506 8.019 3.317) 8.692 8.295 ( -4.902 6.560 -3.404) 8.868 8.437 ( -5.374 0.563 -4.879) 7.280 8.561 ( -1.917 -4.396 0.798) 4.862 11.750 ( -0.708 8.376 5.239) 9.904 11.944 ( 0.057 4.317 -0.340) 4.331 12.006 ( -1.839 1.663 1.137) 2.728 12.133 ( -1.444 7.259 -2.809) 7.916 12.346 ( -1.842 -10.516 1.888) 10.842 12.555 ( -2.176 -10.961 -4.458) 12.031 13.584 ( 0.501 1.933 -2.890) 3.513 13.651 ( 0.880 -1.110 -3.461) 3.740 14.075 ( 0.854 0.627 3.898) 4.040 14.110 ( 0.560 -0.825 1.802) 2.060 ======================= Grid point 279 (145/216) ======================= q-point: (-0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 1.234 1.942 -0.981) 2.502 1.064 ( 2.823 -0.353 -1.165) 3.074 1.642 ( 1.797 5.072 1.060) 5.484 1.842 ( 2.442 -4.014 -6.485) 8.008 2.358 ( 7.337 9.697 7.308) 14.187 2.668 ( 3.579 -5.082 6.970) 9.339 3.223 ( 0.982 12.496 -5.969) 13.883 3.611 ( 4.505 -6.553 -11.032) 13.599 4.114 ( -2.745 10.734 -5.048) 12.175 4.332 ( -5.819 -0.904 -4.604) 7.475 4.822 ( 2.362 14.114 7.997) 16.393 5.262 ( 6.971 -7.713 4.706) 11.412 5.863 ( 5.825 5.303 15.725) 17.588 6.312 ( 2.077 -10.571 13.171) 17.016 6.665 ( 2.595 7.079 -3.295) 8.229 7.138 ( 2.764 -11.153 -9.443) 14.872 8.150 ( -8.323 7.129 -3.523) 11.512 8.254 ( -4.345 4.837 -4.604) 7.967 8.351 ( -1.157 1.415 1.437) 2.325 8.533 ( -1.785 -4.309 2.820) 5.450 11.759 ( 0.052 7.349 4.776) 8.765 11.943 ( 0.005 5.373 -0.637) 5.411 11.980 ( -1.257 0.019 1.163) 1.713 12.093 ( -1.764 5.366 -2.318) 6.105 12.312 ( -2.261 -10.668 1.761) 11.046 12.496 ( -2.305 -11.699 -4.284) 12.670 13.590 ( 1.023 2.083 -2.464) 3.384 13.658 ( 0.905 -1.000 -2.855) 3.157 14.100 ( 0.465 0.826 3.272) 3.407 14.132 ( 0.929 -0.495 1.951) 2.217 ======================= Grid point 280 (146/216) ======================= q-point: (-0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.970 3.569 -0.453) 3.726 1.098 ( 0.949 0.353 -1.269) 1.623 1.674 ( 1.112 5.245 1.692) 5.622 1.873 ( 2.489 -4.126 -5.350) 7.200 2.513 ( 5.731 9.060 8.905) 13.936 2.703 ( -2.079 -0.449 7.690) 7.979 3.244 ( 2.897 13.594 -6.350) 15.281 3.681 ( 5.978 -6.989 -12.301) 15.359 4.058 ( -1.668 7.868 -4.693) 9.312 4.204 ( -5.348 -0.295 -5.616) 7.760 4.904 ( 3.508 16.539 10.359) 19.828 5.369 ( 2.300 -4.642 3.535) 6.271 6.012 ( 3.768 7.356 12.808) 15.244 6.324 ( -2.302 -1.093 4.759) 5.398 6.752 ( 5.319 0.596 4.595) 7.054 7.172 ( 3.378 -11.139 -7.048) 13.607 7.981 ( -7.233 5.551 -4.696) 10.256 8.125 ( -6.168 -0.050 -6.557) 9.002 8.375 ( 1.783 3.487 4.115) 5.680 8.510 ( -1.456 -2.630 2.972) 4.227 11.778 ( 0.241 5.957 4.523) 7.483 11.940 ( -0.292 2.962 0.015) 2.977 11.968 ( -0.123 0.671 0.632) 0.930 12.056 ( -1.215 5.199 -2.466) 5.881 12.275 ( -1.974 -10.667 1.666) 10.975 12.451 ( -0.849 -11.812 -4.015) 12.504 13.607 ( 1.396 1.958 -2.004) 3.130 13.666 ( 0.793 -0.720 -2.555) 2.771 14.113 ( -0.085 1.205 2.996) 3.230 14.152 ( 0.487 -0.462 1.845) 1.964 ======================= Grid point 281 (147/216) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.103 -1.539 -0.842) 1.757 1.090 ( -0.103 1.539 -0.842) 1.757 1.803 ( 1.523 -5.251 -1.819) 5.762 1.803 ( 1.523 5.251 -1.819) 5.762 2.687 ( -1.419 -1.105 8.751) 8.934 2.687 ( -1.419 1.105 8.751) 8.934 3.536 ( 2.814 -11.982 -12.119) 17.273 3.536 ( 2.814 11.982 -12.119) 17.273 4.087 ( -2.839 -2.295 -4.310) 5.648 4.087 ( -2.839 2.295 -4.310) 5.648 5.291 ( 2.365 -9.404 7.888) 12.500 5.291 ( 2.365 9.404 7.888) 12.500 6.170 ( -5.990 -8.154 9.606) 13.951 6.170 ( -5.990 8.154 9.606) 13.951 7.026 ( 6.778 -10.353 -2.087) 12.549 7.026 ( 6.778 10.353 -2.087) 12.549 7.938 ( -4.646 -3.784 -5.409) 8.072 7.938 ( -4.646 3.784 -5.409) 8.072 8.481 ( 1.682 -1.935 2.919) 3.885 8.481 ( 1.682 1.935 2.919) 3.885 11.872 ( -1.305 -3.666 3.105) 4.979 11.872 ( -1.305 3.666 3.105) 4.979 12.075 ( 0.169 -7.349 0.416) 7.363 12.075 ( 0.169 7.349 0.416) 7.363 12.224 ( 1.432 -10.692 -3.425) 11.318 12.224 ( 1.432 10.692 -3.425) 11.318 13.656 ( 0.928 -1.166 -2.208) 2.664 13.656 ( 0.928 1.166 -2.208) 2.664 14.141 ( -0.489 -1.277 2.449) 2.804 14.141 ( -0.489 1.277 2.449) 2.804 ======================= Grid point 283 (148/216) ======================= q-point: ( 0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -1.066 -1.532 -0.879) 2.063 1.075 ( -1.066 1.532 -0.879) 2.063 1.823 ( 1.254 -5.195 -2.288) 5.814 1.823 ( 1.254 5.195 -2.288) 5.814 2.657 ( -4.437 -3.529 8.399) 10.133 2.657 ( -4.437 3.529 8.399) 10.133 3.528 ( 0.477 -11.405 -11.786) 16.407 3.528 ( 0.477 11.405 -11.786) 16.407 4.023 ( -2.639 -2.677 -3.481) 5.123 4.023 ( -2.639 2.677 -3.481) 5.123 5.315 ( -2.627 -4.056 5.539) 7.351 5.315 ( -2.627 4.056 5.539) 7.351 6.064 ( -7.618 -12.130 12.588) 19.069 6.064 ( -7.618 12.130 12.588) 19.069 7.123 ( 3.543 -5.409 -4.329) 7.781 7.123 ( 3.543 5.409 -4.329) 7.781 7.894 ( 1.796 -1.452 -3.314) 4.039 7.894 ( 1.796 1.452 -3.314) 4.039 8.529 ( 2.605 -1.904 1.693) 3.644 8.529 ( 2.605 1.904 1.693) 3.644 11.855 ( -1.336 -3.676 3.076) 4.976 11.855 ( -1.336 3.676 3.076) 4.976 12.095 ( 1.602 -6.381 0.422) 6.593 12.095 ( 1.602 6.381 0.422) 6.593 12.256 ( 2.866 -10.853 -3.475) 11.751 12.256 ( 2.866 10.853 -3.475) 11.751 13.662 ( 0.503 -0.569 -2.591) 2.700 13.662 ( 0.503 0.569 -2.591) 2.700 14.133 ( -1.170 -1.555 2.629) 3.271 14.133 ( -1.170 1.555 2.629) 3.271 ======================= Grid point 285 (149/216) ======================= q-point: ( 0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -1.527 -2.342 -0.942) 2.951 1.048 ( -1.527 2.342 -0.942) 2.951 1.836 ( 0.972 -5.329 -3.585) 6.495 1.836 ( 0.972 5.329 -3.585) 6.496 2.571 ( -7.049 -6.982 7.023) 12.155 2.571 ( -7.049 6.982 7.023) 12.155 3.488 ( -0.771 -9.990 -10.718) 14.672 3.488 ( -0.771 9.990 -10.718) 14.672 3.974 ( -1.037 -5.507 -2.203) 6.022 3.974 ( -1.037 5.507 -2.203) 6.022 5.218 ( -8.667 -8.364 3.963) 12.680 5.218 ( -8.667 8.364 3.963) 12.680 5.980 ( -6.022 -15.378 16.854) 23.597 5.980 ( -6.022 15.378 16.854) 23.597 7.131 ( -0.039 -3.323 -8.861) 9.464 7.131 ( -0.039 3.323 -8.861) 9.464 7.975 ( 6.523 -0.961 -0.631) 6.624 7.975 ( 6.523 0.961 -0.631) 6.624 8.587 ( 2.992 -2.813 0.171) 4.110 8.587 ( 2.992 2.813 0.171) 4.110 11.845 ( -0.698 -4.494 3.358) 5.653 11.845 ( -0.698 4.494 3.358) 5.653 12.133 ( 2.093 -5.847 0.603) 6.240 12.133 ( 2.093 5.847 0.603) 6.240 12.306 ( 3.420 -11.162 -3.952) 12.325 12.306 ( 3.420 11.162 -3.952) 12.325 13.659 ( 0.063 -0.204 -3.177) 3.184 13.659 ( 0.063 0.204 -3.177) 3.184 14.115 ( -1.579 -1.941 2.891) 3.824 14.115 ( -1.579 1.941 2.891) 3.824 ======================= Grid point 287 (150/216) ======================= q-point: ( 0.30 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -2.202 -3.104 -1.432) 4.067 1.009 ( -2.202 3.104 -1.432) 4.067 1.836 ( 0.433 -6.289 -5.383) 8.289 1.836 ( 0.433 6.289 -5.383) 8.290 2.434 ( -8.753 -8.595 3.599) 12.784 2.434 ( -8.753 8.595 3.599) 12.784 3.446 ( -0.013 -7.164 -8.565) 11.166 3.446 ( -0.013 7.164 -8.565) 11.166 3.989 ( 3.091 -7.825 1.059) 8.480 3.989 ( 3.091 7.825 1.059) 8.480 5.036 ( -11.045 -7.636 4.897) 14.293 5.036 ( -11.045 7.636 4.897) 14.293 5.924 ( -5.864 -14.212 17.838) 23.550 5.924 ( -5.864 14.212 17.838) 23.550 7.085 ( -1.029 -4.725 -12.040) 12.975 7.085 ( -1.029 4.725 -12.040) 12.975 8.110 ( 7.015 -0.706 0.683) 7.084 8.110 ( 7.015 0.706 0.683) 7.084 8.639 ( 2.403 -3.179 -1.352) 4.208 8.639 ( 2.403 3.179 -1.352) 4.208 11.850 ( 0.006 -5.098 3.843) 6.384 11.850 ( 0.006 5.098 3.843) 6.384 12.172 ( 1.566 -6.272 0.919) 6.529 12.172 ( 1.566 6.272 0.919) 6.529 12.357 ( 3.188 -11.687 -4.648) 12.975 12.357 ( 3.188 11.687 -4.648) 12.975 13.647 ( -0.124 -0.699 -3.658) 3.726 13.647 ( -0.124 0.699 -3.658) 3.726 14.093 ( -1.643 -2.277 3.071) 4.162 14.093 ( -1.643 2.277 3.071) 4.162 ======================= Grid point 289 (151/216) ======================= q-point: ( 0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -2.756 -3.017 -2.600) 4.843 0.954 ( -2.756 3.017 -2.600) 4.843 1.813 ( -0.983 -8.294 -7.069) 10.942 1.813 ( -0.983 8.294 -7.069) 10.942 2.284 ( -6.576 -5.679 0.101) 8.690 2.284 ( -6.576 5.679 0.101) 8.690 3.440 ( 1.591 -5.584 -6.020) 8.364 3.440 ( 1.591 5.584 -6.020) 8.364 4.104 ( 7.806 -6.923 5.339) 11.720 4.104 ( 7.806 6.923 5.339) 11.720 4.849 ( -9.622 -2.174 4.780) 10.962 4.849 ( -9.622 2.174 4.780) 10.962 5.861 ( -6.484 -11.661 17.785) 22.234 5.861 ( -6.484 11.661 17.785) 22.234 7.025 ( -0.893 -6.170 -13.768) 15.113 7.025 ( -0.893 6.170 -13.768) 15.113 8.234 ( 5.446 -1.075 1.211) 5.682 8.234 ( 5.446 1.075 1.211) 5.682 8.664 ( 0.704 -2.879 -2.620) 3.956 8.664 ( 0.704 2.879 -2.620) 3.956 11.866 ( 0.268 -5.154 4.330) 6.737 11.866 ( 0.268 5.154 4.330) 6.737 12.195 ( 0.430 -7.198 1.118) 7.297 12.195 ( 0.430 7.198 1.118) 7.297 12.394 ( 2.186 -12.092 -5.180) 13.335 12.394 ( 2.186 12.092 -5.180) 13.335 13.633 ( 0.012 -1.057 -3.883) 4.024 13.633 ( 0.012 1.057 -3.883) 4.024 14.074 ( -1.321 -2.342 3.132) 4.128 14.074 ( -1.321 2.342 3.132) 4.128 ======================= Grid point 291 (152/216) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.725 -1.508 -3.821) 4.172 0.905 ( -0.725 1.508 -3.821) 4.172 1.758 ( -1.967 -9.046 -7.265) 11.768 1.758 ( -1.967 9.046 -7.264) 11.768 2.211 ( -0.635 -1.065 -0.766) 1.458 2.211 ( -0.635 1.065 -0.766) 1.458 3.455 ( 1.337 -6.295 -5.213) 8.282 3.455 ( 1.337 6.295 -5.213) 8.282 4.303 ( 9.550 -3.312 8.787) 13.393 4.303 ( 9.550 3.312 8.787) 13.393 4.715 ( -4.643 -4.516 1.343) 6.615 4.715 ( -4.643 4.516 1.343) 6.615 5.796 ( -5.885 -10.119 18.925) 22.253 5.796 ( -5.885 10.119 18.925) 22.253 6.970 ( -0.183 -8.075 -14.191) 16.328 6.970 ( -0.183 8.075 -14.191) 16.328 8.322 ( 3.366 -2.281 1.589) 4.365 8.322 ( 3.366 2.281 1.589) 4.365 8.644 ( -1.819 -2.092 -3.502) 4.466 8.644 ( -1.819 2.092 -3.502) 4.466 11.883 ( -0.016 -5.056 4.644) 6.865 11.883 ( -0.016 5.056 4.644) 6.865 12.195 ( -0.720 -8.155 1.001) 8.247 12.195 ( -0.720 8.155 1.001) 8.247 12.404 ( 0.529 -12.180 -5.289) 13.290 12.404 ( 0.529 12.180 -5.289) 13.290 13.624 ( 0.291 -1.294 -3.881) 4.101 13.624 ( 0.291 1.294 -3.881) 4.101 14.064 ( -0.613 -2.028 3.141) 3.789 14.064 ( -0.613 2.028 3.141) 3.789 ======================= Grid point 293 (153/216) ======================= q-point: (-0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 3.078 -0.497 -3.369) 4.590 0.917 ( 3.078 0.497 -3.369) 4.590 1.713 ( -0.311 -7.544 -5.708) 9.466 1.713 ( -0.311 7.544 -5.708) 9.466 2.251 ( 4.594 -5.731 0.741) 7.383 2.251 ( 4.594 5.731 0.741) 7.383 3.453 ( 0.360 -7.516 -6.157) 9.722 3.453 ( 0.360 7.516 -6.157) 9.722 4.432 ( -0.358 -2.503 5.278) 5.852 4.432 ( -0.358 2.503 5.278) 5.852 4.739 ( 7.730 -6.730 0.174) 10.250 4.739 ( 7.730 6.730 0.174) 10.250 5.776 ( -2.131 -10.558 21.491) 24.039 5.776 ( -2.131 10.558 21.491) 24.039 6.931 ( 0.618 -10.145 -13.379) 16.801 6.931 ( 0.618 10.145 -13.379) 16.801 8.373 ( 1.470 -2.698 1.858) 3.591 8.373 ( 1.470 2.698 1.858) 3.591 8.571 ( -4.555 -1.346 -3.856) 6.118 8.571 ( -4.555 1.346 -3.856) 6.118 11.893 ( -0.556 -5.331 4.673) 7.111 11.893 ( -0.556 5.331 4.673) 7.111 12.176 ( -1.475 -8.955 0.657) 9.099 12.176 ( -1.475 8.955 0.657) 9.099 12.381 ( -1.262 -12.012 -5.001) 13.072 12.381 ( -1.262 12.012 -5.001) 13.072 13.620 ( 0.534 -1.562 -3.670) 4.024 13.620 ( 0.534 1.562 -3.670) 4.024 14.071 ( 0.253 -1.456 3.100) 3.434 14.071 ( 0.253 1.456 3.100) 3.434 ======================= Grid point 295 (154/216) ======================= q-point: (-0.30 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 3.969 -0.761 -1.787) 4.419 0.982 ( 3.969 0.761 -1.787) 4.419 1.713 ( 1.814 -6.093 -4.145) 7.589 1.713 ( 1.814 6.093 -4.145) 7.589 2.379 ( 7.526 -8.577 4.008) 12.094 2.379 ( 7.526 8.577 4.008) 12.094 3.439 ( 0.897 -8.626 -8.161) 11.909 3.439 ( 0.897 8.626 -8.161) 11.909 4.376 ( -4.321 -6.006 -2.916) 7.953 4.376 ( -4.321 6.006 -2.916) 7.953 4.921 ( 8.667 -8.262 3.668) 12.523 4.921 ( 8.667 8.262 3.668) 12.523 5.865 ( 4.164 -12.437 22.499) 26.043 5.865 ( 4.164 12.437 22.499) 26.043 6.907 ( 0.934 -11.923 -11.757) 16.771 6.907 ( 0.934 11.923 -11.757) 16.771 8.384 ( -1.647 -1.413 -0.559) 2.241 8.384 ( -1.647 1.413 -0.559) 2.241 8.459 ( -5.028 -4.892 -1.278) 7.131 8.459 ( -5.028 4.892 -1.278) 7.131 11.892 ( -0.902 -5.691 4.375) 7.234 11.892 ( -0.902 5.691 4.375) 7.234 12.146 ( -1.764 -9.282 0.383) 9.456 12.146 ( -1.764 9.282 0.383) 9.456 12.329 ( -2.416 -11.573 -4.521) 12.657 12.329 ( -2.416 11.573 -4.521) 12.657 13.622 ( 0.767 -1.801 -3.227) 3.775 13.622 ( 0.767 1.801 -3.227) 3.775 14.091 ( 0.826 -0.973 2.939) 3.205 14.091 ( 0.826 0.973 2.939) 3.205 ======================= Grid point 297 (155/216) ======================= q-point: (-0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 2.794 -1.599 -0.821) 3.322 1.044 ( 2.794 1.599 -0.821) 3.322 1.744 ( 2.325 -5.351 -3.088) 6.601 1.744 ( 2.325 5.351 -3.088) 6.601 2.538 ( 6.491 -8.155 7.293) 12.721 2.538 ( 6.491 8.155 7.293) 12.721 3.449 ( 3.343 -10.133 -10.177) 14.745 3.449 ( 3.343 10.133 -10.177) 14.745 4.272 ( -4.746 -5.360 -6.330) 9.557 4.272 ( -4.746 5.360 -6.330) 9.557 5.075 ( 5.932 -11.422 6.485) 14.412 5.075 ( 5.932 11.422 6.485) 14.412 6.047 ( 6.693 -12.912 19.293) 24.161 6.047 ( 6.693 12.912 19.293) 24.161 6.894 ( 1.391 -13.207 -9.411) 16.277 6.894 ( 1.391 13.207 -9.411) 16.277 8.259 ( -8.158 -3.589 -5.499) 10.473 8.259 ( -8.158 3.589 -5.499) 10.473 8.431 ( -0.168 -5.736 3.716) 6.836 8.431 ( -0.168 5.736 3.716) 6.836 11.888 ( -0.875 -5.405 3.866) 6.703 11.888 ( -0.875 5.405 3.866) 6.703 12.113 ( -1.718 -8.833 0.372) 9.006 12.113 ( -1.718 8.833 0.372) 9.006 12.269 ( -2.249 -10.979 -4.071) 11.924 12.269 ( -2.249 10.979 -4.071) 11.924 13.630 ( 1.009 -1.841 -2.663) 3.390 13.630 ( 1.009 1.841 -2.663) 3.390 14.117 ( 0.809 -0.906 2.684) 2.946 14.117 ( 0.809 0.906 2.684) 2.946 ======================= Grid point 299 (156/216) ======================= q-point: (-0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 1.343 -1.923 -0.689) 2.445 1.081 ( 1.343 1.923 -0.689) 2.445 1.777 ( 1.890 -5.246 -2.224) 6.003 1.777 ( 1.890 5.246 -2.224) 6.003 2.651 ( 2.447 -4.856 8.703) 10.262 2.651 ( 2.447 4.856 8.703) 10.262 3.497 ( 4.713 -11.636 -11.435) 16.981 3.497 ( 4.713 11.636 -11.435) 16.981 4.167 ( -3.952 -3.554 -6.005) 8.019 4.167 ( -3.952 3.554 -6.005) 8.019 5.196 ( 4.486 -12.569 8.124) 15.623 5.196 ( 4.486 12.569 8.124) 15.623 6.187 ( 1.356 -9.687 13.334) 16.537 6.187 ( 1.356 9.687 13.334) 16.537 6.921 ( 4.402 -13.034 -5.293) 14.741 6.921 ( 4.402 13.034 -5.293) 14.741 8.082 ( -8.013 -4.094 -5.760) 10.684 8.082 ( -8.013 4.094 -5.760) 10.684 8.448 ( 0.693 -3.661 3.638) 5.208 8.448 ( 0.693 3.661 3.638) 5.208 11.883 ( -0.894 -4.494 3.392) 5.702 11.883 ( -0.894 4.494 3.392) 5.702 12.085 ( -1.219 -8.019 0.453) 8.124 12.085 ( -1.219 8.019 0.453) 8.124 12.227 ( -0.633 -10.633 -3.707) 11.279 12.227 ( -0.633 10.633 -3.707) 11.279 13.643 ( 1.110 -1.618 -2.243) 2.980 13.643 ( 1.110 1.618 -2.243) 2.980 14.136 ( 0.273 -1.078 2.475) 2.713 14.136 ( 0.273 1.078 2.475) 2.713 ======================= Grid point 341 (157/216) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 4.864 0.000 1.929) 5.232 0.855 ( -2.209 0.000 0.940) 2.400 1.461 ( 5.254 0.000 8.077) 9.635 1.489 ( -1.985 0.000 5.888) 6.213 2.253 ( 0.028 0.000 13.621) 13.621 2.460 ( -2.931 0.000 -8.979) 9.445 3.230 ( -2.933 0.000 13.074) 13.399 3.292 ( -4.733 0.000 5.036) 6.911 3.642 ( 5.606 0.000 -2.351) 6.079 3.790 ( 3.199 0.000 -12.101) 12.517 4.199 ( -4.497 0.000 20.606) 21.091 4.630 ( 2.954 0.000 -18.391) 18.626 6.009 ( -2.238 0.000 -5.792) 6.210 6.016 ( 5.190 0.000 -4.467) 6.848 7.066 ( 3.969 0.000 11.593) 12.253 7.271 ( -5.422 0.000 -8.922) 10.441 7.956 ( -1.436 0.000 3.474) 3.759 7.988 ( 0.535 0.000 -0.173) 0.563 8.521 ( -3.033 0.000 0.202) 3.039 8.526 ( 2.573 0.000 -0.243) 2.584 11.582 ( 1.131 0.000 1.856) 2.173 11.613 ( -0.857 0.000 -1.664) 1.872 12.053 ( 0.797 0.000 2.984) 3.089 12.112 ( -0.887 0.000 -2.934) 3.065 13.017 ( 1.468 0.000 1.428) 2.048 13.045 ( -1.939 0.000 -1.391) 2.387 13.534 ( -0.954 0.000 -0.452) 1.055 13.535 ( 1.132 0.000 -0.419) 1.207 14.038 ( 3.024 0.000 0.581) 3.080 14.041 ( -3.317 0.000 0.265) 3.328 ======================= Grid point 342 (158/216) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -0.073 0.000 -0.493) 0.498 0.962 ( 6.263 0.000 -2.475) 6.734 1.549 ( 6.636 0.000 0.344) 6.645 1.655 ( 11.189 0.000 2.463) 11.457 2.296 ( 0.976 0.000 13.208) 13.244 2.341 ( -5.593 0.000 -7.131) 9.063 3.265 ( -0.225 0.000 19.725) 19.727 3.337 ( 7.262 0.000 5.204) 8.934 3.819 ( 14.337 0.000 -7.831) 16.336 3.830 ( 4.447 0.000 -13.680) 14.384 4.242 ( 2.589 0.000 20.876) 21.036 4.665 ( 6.526 0.000 -17.573) 18.746 5.962 ( -0.460 0.000 -6.732) 6.748 6.105 ( 5.639 0.000 -6.235) 8.407 7.147 ( -4.460 0.000 -7.656) 8.861 7.193 ( 5.024 0.000 12.698) 13.656 7.937 ( -1.735 0.000 4.049) 4.405 7.989 ( -0.436 0.000 0.003) 0.436 8.431 ( -6.278 0.000 0.616) 6.308 8.557 ( 0.708 0.000 -0.166) 0.727 11.569 ( -3.072 0.000 -1.943) 3.635 11.586 ( -1.259 0.000 1.507) 1.964 12.068 ( -0.308 0.000 3.243) 3.258 12.080 ( -1.415 0.000 -2.958) 3.279 12.977 ( -4.413 0.000 -0.695) 4.468 13.022 ( -1.458 0.000 1.587) 2.155 13.525 ( 0.075 0.000 -0.349) 0.357 13.569 ( 2.407 0.000 -0.596) 2.480 13.987 ( -2.335 0.000 0.569) 2.404 14.105 ( 3.588 0.000 0.603) 3.638 ======================= Grid point 343 (159/216) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 2.237 0.000 1.261) 2.568 1.063 ( 5.479 0.000 -4.608) 7.159 1.715 ( 10.350 0.000 -3.288) 10.859 1.815 ( 3.277 0.000 3.457) 4.764 2.232 ( -3.849 0.000 -2.817) 4.770 2.427 ( 10.901 0.000 1.789) 11.047 3.320 ( -0.684 0.000 20.599) 20.611 3.536 ( 8.934 0.000 10.600) 13.863 3.857 ( 3.140 0.000 -14.742) 15.073 4.094 ( 15.216 0.000 -7.716) 17.060 4.433 ( 10.836 0.000 16.321) 19.591 4.773 ( 10.202 0.000 -15.178) 18.288 5.953 ( 1.717 0.000 -7.546) 7.739 6.182 ( 4.461 0.000 -7.812) 8.996 7.066 ( -1.677 0.000 -4.288) 4.604 7.324 ( 4.329 0.000 11.557) 12.341 7.917 ( -1.575 0.000 4.142) 4.432 7.971 ( -1.405 0.000 0.590) 1.524 8.295 ( -8.116 0.000 2.448) 8.478 8.553 ( -0.812 0.000 -2.190) 2.336 11.492 ( -4.100 0.000 -1.905) 4.521 11.545 ( -3.248 0.000 0.893) 3.368 12.044 ( -1.243 0.000 -2.916) 3.170 12.061 ( -1.498 0.000 3.483) 3.792 12.886 ( -4.618 0.000 -0.125) 4.620 12.977 ( -3.454 0.000 1.209) 3.659 13.534 ( 0.857 0.000 0.295) 0.906 13.616 ( 2.603 0.000 -1.325) 2.921 13.960 ( -0.718 0.000 1.738) 1.880 14.169 ( 2.836 0.000 -0.103) 2.838 ======================= Grid point 344 (160/216) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 3.899 0.000 4.922) 6.280 1.145 ( 4.707 0.000 -5.212) 7.023 1.825 ( -2.607 0.000 6.744) 7.230 1.884 ( 7.375 0.000 -5.766) 9.362 2.195 ( 0.892 0.000 3.536) 3.647 2.674 ( 14.145 0.000 -9.832) 17.227 3.368 ( -0.889 0.000 19.160) 19.180 3.671 ( 0.268 0.000 10.801) 10.804 3.893 ( 5.921 0.000 -9.037) 10.804 4.300 ( 8.170 0.000 -6.827) 10.647 4.722 ( 13.687 0.000 10.643) 17.338 4.958 ( 12.944 0.000 -11.459) 17.288 5.971 ( 2.397 0.000 -7.191) 7.580 6.220 ( 2.061 0.000 -8.917) 9.152 7.067 ( 2.665 0.000 -0.510) 2.714 7.417 ( 1.812 0.000 7.551) 7.765 7.911 ( -0.131 0.000 4.157) 4.159 7.942 ( -1.831 0.000 1.227) 2.204 8.149 ( -8.107 0.000 5.630) 9.870 8.514 ( -1.928 0.000 -5.642) 5.962 11.411 ( -3.538 0.000 -1.557) 3.865 11.474 ( -4.103 0.000 0.239) 4.110 12.018 ( -0.445 0.000 -2.821) 2.855 12.035 ( -2.313 0.000 3.594) 4.274 12.810 ( -3.172 0.000 0.265) 3.183 12.907 ( -3.954 0.000 0.558) 3.993 13.556 ( 1.096 0.000 1.190) 1.618 13.654 ( 1.863 0.000 -2.236) 2.910 13.972 ( 1.107 0.000 3.333) 3.512 14.206 ( 1.179 0.000 -1.299) 1.754 ======================= Grid point 345 (161/216) ======================= q-point: ( 0.40 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 3.428 0.000 7.200) 7.974 1.205 ( 3.200 0.000 -5.813) 6.635 1.790 ( -2.911 0.000 7.788) 8.314 1.932 ( 0.780 0.000 -7.502) 7.542 2.303 ( 6.716 0.000 10.972) 12.864 2.836 ( 5.534 0.000 -15.532) 16.489 3.401 ( -1.603 0.000 17.284) 17.358 3.653 ( -1.887 0.000 1.002) 2.136 4.008 ( 5.188 0.000 5.571) 7.613 4.366 ( 1.205 0.000 -6.215) 6.331 4.976 ( 9.173 0.000 6.712) 11.367 5.154 ( 9.754 0.000 -9.391) 13.540 5.996 ( 2.137 0.000 -4.105) 4.628 6.202 ( -0.878 0.000 -9.552) 9.592 7.160 ( 6.412 0.000 1.720) 6.639 7.421 ( -3.203 0.000 2.429) 4.020 7.914 ( -1.430 0.000 1.750) 2.260 7.942 ( 1.918 0.000 0.182) 1.927 8.046 ( -4.331 0.000 12.860) 13.570 8.447 ( -2.337 0.000 -9.713) 9.990 11.356 ( -1.512 0.000 -1.009) 1.818 11.400 ( -3.440 0.000 -0.192) 3.445 11.999 ( -2.444 0.000 3.564) 4.321 12.012 ( 0.690 0.000 -2.700) 2.787 12.772 ( -0.864 0.000 0.531) 1.014 12.838 ( -3.134 0.000 -0.089) 3.135 13.581 ( 0.913 0.000 2.094) 2.285 13.670 ( 0.671 0.000 -2.963) 3.038 14.020 ( 2.383 0.000 4.562) 5.147 14.204 ( -0.769 0.000 -2.580) 2.692 ======================= Grid point 346 (162/216) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.642 0.000 7.261) 7.289 1.220 ( 0.191 0.000 -6.889) 6.892 1.774 ( -1.232 0.000 8.232) 8.324 1.913 ( 0.174 0.000 -6.413) 6.415 2.460 ( 4.233 0.000 15.284) 15.859 2.767 ( -7.077 0.000 -15.434) 16.979 3.416 ( -2.087 0.000 16.094) 16.229 3.645 ( 1.166 0.000 -3.294) 3.494 4.098 ( 1.014 0.000 12.335) 12.376 4.317 ( -4.238 0.000 -5.969) 7.320 5.092 ( 0.785 0.000 4.395) 4.464 5.239 ( 1.816 0.000 -9.636) 9.805 6.036 ( 2.898 0.000 -0.272) 2.911 6.130 ( -3.387 0.000 -9.274) 9.873 7.300 ( 7.058 0.000 2.409) 7.457 7.318 ( -7.444 0.000 0.568) 7.466 7.901 ( -0.581 0.000 2.205) 2.280 7.939 ( -0.770 0.000 -0.998) 1.261 8.109 ( 4.769 0.000 13.542) 14.358 8.374 ( -1.276 0.000 -13.279) 13.341 11.351 ( -1.430 0.000 -0.243) 1.451 11.351 ( 1.223 0.000 -0.464) 1.308 11.968 ( -1.843 0.000 3.430) 3.894 12.027 ( 1.746 0.000 -2.595) 3.128 12.781 ( 1.596 0.000 0.587) 1.701 12.792 ( -1.379 0.000 -0.563) 1.489 13.602 ( 0.471 0.000 2.695) 2.736 13.661 ( -0.521 0.000 -3.262) 3.303 14.084 ( 2.522 0.000 4.913) 5.523 14.163 ( -2.380 0.000 -3.497) 4.230 ======================= Grid point 347 (163/216) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -2.487 0.000 6.459) 6.921 1.166 ( -3.446 0.000 -7.872) 8.594 1.788 ( -0.499 0.000 7.911) 7.926 1.905 ( 0.451 0.000 -4.030) 4.055 2.519 ( -12.959 0.000 -11.259) 17.167 2.529 ( -2.323 0.000 14.978) 15.157 3.433 ( -1.305 0.000 17.102) 17.152 3.653 ( 0.331 0.000 -3.595) 3.610 4.118 ( -3.309 0.000 14.163) 14.544 4.175 ( -8.422 0.000 -6.252) 10.489 5.029 ( -8.429 0.000 2.777) 8.875 5.168 ( -5.459 0.000 -10.722) 12.031 6.030 ( -3.986 0.000 -7.048) 8.097 6.095 ( 2.711 0.000 0.650) 2.788 7.167 ( -7.946 0.000 0.949) 8.002 7.426 ( 4.991 0.000 1.880) 5.334 7.905 ( 0.177 0.000 2.277) 2.284 7.935 ( 0.411 0.000 0.216) 0.464 8.258 ( 6.408 0.000 9.557) 11.506 8.328 ( 1.232 0.000 -14.431) 14.483 11.347 ( 1.111 0.000 0.088) 1.115 11.397 ( 3.539 0.000 -0.149) 3.542 11.953 ( -0.741 0.000 3.233) 3.317 12.059 ( 2.327 0.000 -2.552) 3.454 12.785 ( 0.807 0.000 -0.742) 1.096 12.833 ( 3.573 0.000 0.376) 3.593 13.613 ( -0.199 0.000 2.725) 2.732 13.633 ( -1.388 0.000 -3.053) 3.354 14.098 ( -3.078 0.000 -3.673) 4.792 14.139 ( 1.539 0.000 4.360) 4.623 ======================= Grid point 348 (164/216) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -4.188 0.000 5.707) 7.078 1.047 ( -6.196 0.000 -7.626) 9.826 1.765 ( -5.613 0.000 6.291) 8.431 1.884 ( -3.003 0.000 1.035) 3.177 2.268 ( -8.998 0.000 -3.636) 9.705 2.483 ( -4.997 0.000 8.459) 9.824 3.468 ( -1.490 0.000 19.479) 19.536 3.627 ( -2.459 0.000 0.083) 2.460 3.964 ( -11.280 0.000 -6.853) 13.198 4.064 ( -6.222 0.000 10.770) 12.438 4.801 ( -15.505 0.000 2.688) 15.736 4.990 ( -8.375 0.000 -13.105) 15.553 5.949 ( -2.384 0.000 -3.939) 4.605 6.131 ( 0.875 0.000 -0.809) 1.192 7.039 ( -5.719 0.000 2.337) 6.178 7.493 ( 1.609 0.000 -0.562) 1.705 7.920 ( 0.784 0.000 1.519) 1.709 7.950 ( 0.865 0.000 0.730) 1.132 8.335 ( 3.741 0.000 -11.679) 12.264 8.398 ( 5.367 0.000 6.365) 8.325 11.391 ( 3.104 0.000 0.681) 3.178 11.476 ( 4.502 0.000 -0.199) 4.507 11.960 ( 0.440 0.000 3.022) 3.054 12.096 ( 2.195 0.000 -2.600) 3.403 12.818 ( 2.826 0.000 -0.539) 2.877 12.913 ( 4.550 0.000 -0.104) 4.551 13.593 ( -1.753 0.000 -2.446) 3.009 13.610 ( -0.976 0.000 2.148) 2.360 14.032 ( -2.507 0.000 -2.949) 3.871 14.164 ( -0.148 0.000 3.182) 3.185 ======================= Grid point 349 (165/216) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -6.723 0.000 -3.681) 7.665 0.970 ( -4.408 0.000 4.938) 6.619 1.605 ( -11.461 0.000 6.418) 13.136 1.771 ( -10.124 0.000 7.733) 12.739 2.183 ( -0.965 0.000 3.843) 3.962 2.445 ( 0.510 0.000 -0.775) 0.928 3.473 ( -5.521 0.000 19.272) 20.047 3.562 ( -5.433 0.000 5.567) 7.779 3.721 ( -10.414 0.000 -6.910) 12.498 3.949 ( -7.571 0.000 0.822) 7.615 4.500 ( -16.134 0.000 7.676) 17.867 4.799 ( -6.150 0.000 -16.087) 17.222 5.919 ( 0.327 0.000 -2.482) 2.503 6.121 ( -1.188 0.000 -2.847) 3.085 6.972 ( -2.363 0.000 5.136) 5.653 7.481 ( -2.007 0.000 -4.480) 4.909 7.944 ( 1.299 0.000 0.695) 1.473 7.966 ( 0.294 0.000 1.434) 1.464 8.391 ( 4.790 0.000 -6.804) 8.321 8.497 ( 3.271 0.000 3.683) 4.926 11.462 ( 3.795 0.000 1.340) 4.025 11.557 ( 3.798 0.000 -0.592) 3.844 11.987 ( 1.252 0.000 2.867) 3.129 12.123 ( 1.370 0.000 -2.720) 3.046 12.884 ( 4.016 0.000 0.029) 4.016 12.997 ( 4.066 0.000 -0.819) 4.148 13.554 ( -1.485 0.000 -1.648) 2.219 13.590 ( -1.568 0.000 1.168) 1.956 13.992 ( -0.813 0.000 -1.580) 1.777 14.152 ( -1.965 0.000 1.813) 2.674 ======================= Grid point 350 (166/216) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -1.875 0.000 2.647) 3.244 0.905 ( -3.644 0.000 3.488) 5.045 1.445 ( -6.248 0.000 9.166) 11.093 1.588 ( -10.159 0.000 9.331) 13.794 2.207 ( 0.774 0.000 8.741) 8.775 2.479 ( 2.826 0.000 -6.284) 6.890 3.337 ( -11.032 0.000 9.414) 14.503 3.437 ( -9.985 0.000 7.909) 12.738 3.604 ( -1.233 0.000 1.097) 1.650 3.816 ( -3.156 0.000 -9.618) 10.123 4.281 ( -10.266 0.000 16.103) 19.097 4.671 ( -1.443 0.000 -17.959) 18.017 5.945 ( 3.191 0.000 -2.975) 4.363 6.073 ( -2.448 0.000 -4.575) 5.188 6.982 ( 1.167 0.000 8.742) 8.820 7.396 ( -4.576 0.000 -7.725) 8.979 7.968 ( -0.725 0.000 2.430) 2.535 7.970 ( 1.217 0.000 0.146) 1.226 8.464 ( 4.203 0.000 -2.597) 4.941 8.542 ( 0.502 0.000 1.454) 1.538 11.534 ( 3.036 0.000 1.802) 3.531 11.609 ( 1.753 0.000 -1.154) 2.099 12.022 ( 1.391 0.000 2.841) 3.163 12.129 ( 0.175 0.000 -2.849) 2.854 12.962 ( 3.662 0.000 0.794) 3.747 13.051 ( 1.687 0.000 -1.476) 2.241 13.531 ( -0.456 0.000 -0.871) 0.983 13.561 ( -1.619 0.000 0.147) 1.626 13.994 ( 1.320 0.000 -0.212) 1.337 14.104 ( -3.226 0.000 0.735) 3.309 ======================= Grid point 351 (167/216) ======================= q-point: ( 0.00 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 3.092 1.125 2.898) 4.385 0.885 ( -1.167 1.942 -1.100) 2.518 1.522 ( -4.264 6.634 9.489) 12.339 1.599 ( 6.585 8.848 2.283) 11.264 2.263 ( 0.275 2.062 11.192) 11.384 2.431 ( -2.649 -2.063 -7.313) 8.047 3.211 ( -3.146 -0.230 19.672) 19.923 3.430 ( -5.332 10.313 -0.953) 11.649 3.667 ( 7.821 2.912 -4.113) 9.303 3.783 ( 2.083 -0.100 -12.658) 12.829 4.318 ( -1.935 11.206 19.575) 22.638 4.702 ( 0.043 7.087 -16.144) 17.632 5.994 ( -1.422 0.127 -0.560) 1.533 6.072 ( 5.017 4.104 -7.112) 9.623 7.086 ( 2.733 1.975 9.698) 10.267 7.259 ( -4.748 -1.383 -7.129) 8.676 7.942 ( -1.925 -1.071 2.649) 3.445 7.980 ( 1.377 -1.229 -1.266) 2.239 8.478 ( -0.266 -2.735 2.674) 3.835 8.521 ( -0.377 -0.964 -1.542) 1.857 11.606 ( 1.007 2.362 1.843) 3.161 11.636 ( -0.699 2.296 -1.492) 2.826 12.039 ( 0.772 -1.344 2.811) 3.210 12.096 ( -0.915 -1.609 -2.850) 3.398 12.940 ( 0.490 -7.267 2.036) 7.562 12.978 ( -0.852 -6.461 -1.758) 6.750 13.541 ( 0.855 0.788 -0.048) 1.164 13.556 ( -0.418 1.570 -1.564) 2.255 14.056 ( -0.845 1.915 1.524) 2.589 14.076 ( 0.455 2.706 -0.478) 2.786 ======================= Grid point 352 (168/216) ======================= q-point: ( 0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -0.783 1.033 -1.286) 1.826 0.953 ( 5.325 -0.308 -1.176) 5.462 1.536 ( 3.824 1.590 4.577) 6.172 1.746 ( 6.587 5.937 -0.538) 8.884 2.271 ( -2.948 -0.882 2.293) 3.837 2.402 ( 2.607 5.091 1.883) 6.022 3.229 ( -2.613 -2.106 22.529) 22.778 3.421 ( 5.691 7.243 -0.590) 9.230 3.788 ( 3.812 -3.702 -15.164) 16.068 3.850 ( 10.168 3.121 -4.455) 11.531 4.404 ( 4.743 14.669 17.169) 23.075 4.715 ( 6.127 4.793 -13.068) 15.208 5.957 ( -1.246 -0.163 -2.862) 3.126 6.158 ( 6.027 4.954 -9.586) 12.359 7.112 ( -3.808 -2.654 0.377) 4.657 7.228 ( 3.910 2.505 5.700) 7.352 7.913 ( -1.922 -1.702 3.043) 3.982 7.995 ( 0.462 -0.179 -1.005) 1.120 8.399 ( -6.380 -2.444 1.325) 6.959 8.552 ( 1.706 -0.322 0.156) 1.743 11.584 ( -3.058 1.700 -0.781) 3.585 11.618 ( -1.126 3.148 0.390) 3.366 12.055 ( -0.215 -1.277 2.839) 3.120 12.066 ( -1.102 -1.336 -2.514) 3.052 12.918 ( -2.905 -5.734 0.276) 6.434 12.960 ( -0.975 -6.107 0.484) 6.203 13.536 ( -0.230 1.128 -0.963) 1.501 13.578 ( 2.122 0.712 -0.849) 2.394 14.013 ( -2.368 2.387 1.220) 3.577 14.124 ( 2.894 1.639 0.266) 3.336 ======================= Grid point 353 (169/216) ======================= q-point: ( 0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 1.295 -0.833 0.097) 1.543 1.045 ( 4.859 -1.290 -2.815) 5.762 1.686 ( 10.325 -2.455 -0.063) 10.613 1.809 ( 0.192 0.194 1.104) 1.138 2.194 ( -4.146 -1.848 -2.409) 5.139 2.533 ( 9.496 8.099 0.644) 12.497 3.252 ( -2.318 -4.353 22.762) 23.290 3.613 ( 11.850 4.925 2.743) 13.123 3.786 ( 1.556 -6.277 -14.844) 16.192 4.041 ( 10.355 -2.102 -1.744) 10.709 4.573 ( 8.233 10.475 5.642) 14.468 4.857 ( 11.118 8.304 -4.255) 14.514 5.936 ( 0.249 -1.526 -4.392) 4.657 6.229 ( 4.712 4.492 -11.927) 13.588 7.042 ( -2.603 -2.586 0.032) 3.669 7.341 ( 4.211 1.460 8.750) 9.820 7.893 ( -0.930 -1.320 2.841) 3.268 7.992 ( -0.546 1.111 -0.172) 1.250 8.268 ( -7.561 -1.995 2.398) 8.179 8.569 ( 0.179 1.536 -1.322) 2.035 11.511 ( -3.947 2.024 -1.173) 4.588 11.579 ( -2.949 3.389 0.128) 4.495 12.033 ( -1.096 -1.020 -2.113) 2.590 12.056 ( -0.990 -0.521 2.804) 3.019 12.855 ( -3.343 -3.174 -0.282) 4.619 12.931 ( -2.381 -4.772 1.133) 5.452 13.537 ( 0.492 0.319 -0.314) 0.665 13.616 ( 2.141 0.017 -1.475) 2.600 13.984 ( -1.025 2.242 2.107) 3.243 14.175 ( 2.268 0.503 -0.219) 2.333 ======================= Grid point 354 (170/216) ======================= q-point: ( 0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 3.693 -2.152 3.515) 5.534 1.121 ( 4.097 -2.104 -3.389) 5.718 1.770 ( -2.092 -2.721 2.656) 4.340 1.918 ( 10.366 -0.079 -0.491) 10.378 2.116 ( -2.196 -5.335 -0.837) 5.830 2.721 ( 9.739 3.507 -6.507) 12.227 3.280 ( -2.024 -5.881 21.328) 22.216 3.692 ( -2.299 -3.451 -8.525) 9.480 3.897 ( 10.746 3.073 2.919) 11.551 4.224 ( 8.699 -5.621 -1.721) 10.499 4.753 ( 10.265 3.141 -0.373) 10.741 5.067 ( 9.961 9.035 0.331) 13.452 5.935 ( 0.920 -3.529 -4.125) 5.506 6.259 ( 2.375 3.686 -13.217) 13.926 7.027 ( 0.631 -4.004 3.036) 5.064 7.413 ( 0.378 -1.120 5.243) 5.374 7.907 ( 1.799 1.260 2.346) 3.214 7.977 ( -0.880 2.513 0.865) 2.799 8.141 ( -6.460 -0.146 5.064) 8.209 8.549 ( -1.388 3.108 -4.208) 5.412 11.437 ( -3.251 2.708 -0.803) 4.307 11.513 ( -3.628 3.921 -0.557) 5.371 12.012 ( -0.492 -0.532 -1.676) 1.826 12.038 ( -1.659 0.247 2.573) 3.071 12.798 ( -2.315 -1.334 -0.231) 2.681 12.880 ( -3.131 -2.941 0.900) 4.389 13.551 ( 0.868 -0.405 0.756) 1.220 13.646 ( 1.545 -0.719 -2.341) 2.896 13.989 ( 0.650 1.623 3.400) 3.823 14.204 ( 0.881 -0.270 -1.274) 1.572 ======================= Grid point 355 (171/216) ======================= q-point: ( 0.40 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 4.006 -2.178 5.864) 7.428 1.174 ( 2.454 -2.886 -4.275) 5.712 1.747 ( -1.284 -2.945 5.650) 6.500 1.955 ( -2.973 1.092 -5.282) 6.159 2.235 ( 10.729 -6.367 7.200) 14.404 2.812 ( 1.550 -2.669 -11.837) 12.233 3.303 ( -2.277 -6.829 19.337) 20.633 3.616 ( -1.341 -5.563 -9.806) 11.353 4.076 ( 5.432 6.693 9.944) 13.160 4.336 ( 3.403 -3.174 -2.745) 5.403 4.964 ( 10.959 -0.778 0.141) 10.987 5.196 ( 3.210 3.362 -1.715) 4.954 5.948 ( 1.433 -4.458 -0.559) 4.716 6.235 ( -0.562 3.029 -13.472) 13.820 7.086 ( 4.119 -6.884 4.773) 9.335 7.378 ( -4.666 -4.630 0.716) 6.612 7.941 ( -0.207 3.112 0.987) 3.271 7.984 ( 1.319 3.907 -2.393) 4.768 8.086 ( -0.413 4.069 12.603) 13.250 8.492 ( -2.446 3.960 -7.958) 9.219 11.389 ( -1.484 3.383 0.020) 3.694 11.446 ( -2.866 4.656 -1.217) 5.601 12.001 ( -1.134 0.149 1.743) 2.085 12.017 ( -0.248 0.520 -0.819) 1.002 12.770 ( -0.425 -0.337 -0.061) 0.546 12.823 ( -2.797 -1.670 0.453) 3.289 13.572 ( 0.800 -0.830 1.830) 2.162 13.659 ( 0.600 -1.132 -3.111) 3.364 14.028 ( 1.930 0.778 4.466) 4.927 14.199 ( -0.796 -0.532 -2.443) 2.625 ======================= Grid point 356 (172/216) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.818 -1.632 6.231) 6.493 1.184 ( 0.316 -3.327 -6.079) 6.937 1.749 ( -1.588 -2.211 8.793) 9.205 1.899 ( 0.451 -1.377 -6.773) 6.926 2.434 ( 4.324 -2.838 13.139) 14.120 2.703 ( -6.662 -6.568 -14.163) 16.974 3.311 ( -2.903 -7.479 18.052) 19.754 3.598 ( 2.472 -5.579 -10.737) 12.350 4.162 ( -0.370 6.009 13.708) 14.972 4.337 ( -2.010 1.306 -3.680) 4.392 5.086 ( -3.243 -0.654 4.633) 5.693 5.218 ( 4.347 -2.427 -7.823) 9.273 5.988 ( 1.929 -4.003 3.837) 5.871 6.158 ( -2.864 2.383 -12.811) 13.342 7.193 ( 3.121 -9.296 6.149) 11.574 7.278 ( -2.886 -4.473 -2.677) 5.958 7.933 ( -0.737 3.348 2.055) 3.997 7.974 ( -0.652 3.621 -1.539) 3.988 8.187 ( 4.558 6.863 11.464) 14.117 8.419 ( -1.348 4.041 -11.845) 12.588 11.379 ( -0.134 3.544 1.226) 3.752 11.408 ( -0.151 5.070 -1.830) 5.392 11.977 ( -1.688 0.925 3.001) 3.566 12.029 ( 1.645 0.150 -2.198) 2.750 12.781 ( -0.015 -0.463 0.104) 0.475 12.783 ( 0.183 -0.855 -0.037) 0.875 13.590 ( 0.360 -1.086 2.522) 2.769 13.650 ( -0.325 -1.113 -3.499) 3.687 14.084 ( 2.210 0.035 4.810) 5.293 14.161 ( -2.158 -0.289 -3.263) 3.923 ======================= Grid point 357 (173/216) ======================= q-point: (-0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -3.493 -2.746 2.880) 5.295 1.153 ( -1.794 -1.511 -4.992) 5.516 1.734 ( -1.834 -3.566 6.586) 7.711 1.936 ( 3.381 1.591 -2.246) 4.360 2.332 ( -14.161 -11.040 -0.839) 17.976 2.636 ( -0.316 2.996 3.320) 4.483 3.319 ( -1.807 -8.779 18.319) 20.394 3.619 ( 2.693 -4.274 -11.102) 12.197 4.140 ( -6.795 2.759 12.560) 14.545 4.247 ( -5.870 5.312 -2.345) 8.257 4.918 ( -12.559 -6.722 1.939) 14.376 5.269 ( 0.867 5.286 -5.902) 7.970 6.004 ( -2.450 -1.843 -1.003) 3.226 6.087 ( 0.141 -0.645 -4.093) 4.146 7.136 ( -4.907 -3.254 0.013) 5.888 7.359 ( 5.974 -6.755 2.131) 9.266 7.926 ( -0.904 2.854 2.421) 3.850 7.965 ( 0.105 2.889 -0.193) 2.898 8.266 ( 0.942 2.162 0.758) 2.477 8.410 ( 4.065 6.088 -5.890) 9.396 11.385 ( 0.842 3.799 0.690) 3.951 11.437 ( 3.077 4.053 -0.531) 5.117 11.962 ( -0.842 0.834 2.769) 3.012 12.060 ( 2.146 0.005 -2.206) 3.078 12.771 ( 0.389 -1.409 -0.114) 1.466 12.829 ( 3.124 -0.718 -0.137) 3.208 13.596 ( -0.701 -1.567 1.822) 2.503 13.630 ( -0.569 -0.411 -2.609) 2.701 14.102 ( -2.627 0.359 -3.227) 4.176 14.135 ( 1.437 -0.313 4.181) 4.432 ======================= Grid point 358 (174/216) ======================= q-point: (-0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -5.078 -3.594 -1.687) 6.446 1.084 ( -4.198 0.694 -1.232) 4.430 1.727 ( -1.427 -2.650 5.784) 6.520 1.886 ( -11.810 -0.816 3.380) 12.311 2.148 ( 0.099 -7.382 -3.651) 8.236 2.595 ( -5.222 7.375 5.816) 10.746 3.355 ( -1.237 -8.703 20.283) 22.106 3.624 ( 1.267 -1.787 -9.785) 10.027 3.962 ( -13.342 -0.729 1.009) 13.400 4.126 ( -7.473 5.631 5.749) 10.982 4.673 ( -12.859 -5.318 2.978) 14.230 5.193 ( -6.253 12.682 -7.986) 16.239 5.939 ( -1.945 -0.335 -3.681) 4.177 6.099 ( 0.161 -2.904 1.708) 3.373 7.059 ( -3.105 1.207 -0.310) 3.346 7.449 ( 2.394 -4.668 1.225) 5.387 7.916 ( -0.369 0.591 1.019) 1.234 7.973 ( 0.462 1.912 0.569) 2.048 8.281 ( 2.609 -1.967 -6.028) 6.856 8.489 ( 3.856 5.639 0.488) 6.849 11.421 ( 2.680 3.175 0.891) 4.249 11.507 ( 4.091 3.159 -0.116) 5.170 11.964 ( 0.175 0.356 2.618) 2.648 12.092 ( 1.904 -0.359 -2.370) 3.061 12.795 ( 2.081 -2.290 0.033) 3.094 12.893 ( 3.538 -2.198 -0.500) 4.195 13.573 ( -1.578 -1.651 -0.535) 2.346 13.617 ( -0.558 0.356 -0.242) 0.704 14.047 ( -1.942 1.385 -2.615) 3.539 14.162 ( 0.033 -0.253 3.192) 3.203 ======================= Grid point 359 (175/216) ======================= q-point: (-0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -4.664 -1.943 -1.903) 5.398 0.999 ( -4.401 1.737 1.770) 5.052 1.629 ( -10.532 1.781 4.823) 11.720 1.720 ( -5.039 -2.675 8.750) 10.445 2.192 ( 2.504 0.040 0.210) 2.513 2.515 ( -3.262 6.732 1.786) 7.690 3.368 ( -5.319 -7.015 21.628) 23.351 3.607 ( -0.380 1.309 -6.935) 7.068 3.697 ( -11.406 -2.233 -4.073) 12.315 3.984 ( -8.667 4.218 2.587) 9.980 4.469 ( -9.950 0.870 7.753) 12.644 5.006 ( -9.133 15.672 -11.583) 21.522 5.923 ( 1.193 0.757 -2.071) 2.507 6.093 ( -1.191 -2.420 0.929) 2.853 7.018 ( -1.327 3.768 1.784) 4.375 7.451 ( -1.934 -3.008 -2.075) 4.135 7.925 ( 1.156 -1.497 -0.432) 1.941 7.979 ( -0.271 1.004 0.986) 1.433 8.336 ( 4.495 -3.591 -3.665) 6.822 8.544 ( 1.605 3.273 0.852) 3.744 11.487 ( 3.589 2.564 1.383) 4.623 11.582 ( 3.540 2.541 -0.334) 4.370 11.983 ( 0.915 -0.333 2.553) 2.733 12.114 ( 1.052 -0.893 -2.606) 2.949 12.846 ( 2.953 -3.828 0.514) 4.862 12.953 ( 2.714 -4.411 -1.016) 5.278 13.543 ( -1.157 -0.994 -0.698) 1.677 13.601 ( -0.994 0.933 -0.247) 1.386 14.018 ( -0.323 2.368 -1.409) 2.774 14.155 ( -1.524 0.321 1.929) 2.479 ======================= Grid point 360 (176/216) ======================= q-point: (-0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.725 0.593 2.403) 2.579 0.932 ( -3.176 2.368 1.364) 4.190 1.521 ( -1.720 6.750 5.565) 8.916 1.626 ( -7.619 3.880 10.316) 13.399 2.227 ( 0.566 1.995 6.144) 6.484 2.485 ( -0.650 1.218 -4.270) 4.488 3.269 ( -9.216 -3.192 17.860) 20.349 3.548 ( -3.997 6.054 -5.137) 8.889 3.591 ( 0.095 0.118 0.787) 0.801 3.835 ( -4.946 2.730 -6.637) 8.716 4.347 ( -6.386 6.510 14.604) 17.217 4.811 ( -6.099 12.596 -14.844) 20.401 5.965 ( 3.475 2.189 -1.890) 4.521 6.063 ( -1.523 -0.650 -1.518) 2.247 7.024 ( 0.898 3.778 5.684) 6.884 7.373 ( -4.504 -2.360 -5.621) 7.580 7.952 ( 1.653 -1.831 -0.941) 2.640 7.968 ( -1.205 -0.095 1.667) 2.059 8.417 ( 4.325 -3.607 -0.285) 5.639 8.553 ( -0.886 0.758 0.024) 1.167 11.558 ( 3.073 2.385 1.761) 4.271 11.631 ( 1.616 2.258 -0.863) 2.908 12.011 ( 1.137 -1.001 2.604) 3.013 12.115 ( -0.045 -1.388 -2.792) 3.118 12.903 ( 2.505 -5.770 1.246) 6.413 12.985 ( 0.913 -6.349 -1.507) 6.589 13.530 ( 0.010 -0.037 -0.326) 0.328 13.578 ( -1.166 1.505 -0.932) 2.120 14.026 ( 1.381 2.807 -0.196) 3.135 14.119 ( -2.629 1.280 0.889) 3.056 ======================= Grid point 361 (177/216) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 3.424 3.463 1.943) 5.243 0.933 ( -2.858 3.088 -1.931) 4.630 1.656 ( -3.346 5.296 9.008) 10.972 1.770 ( 4.304 7.108 -2.121) 8.576 2.373 ( 2.338 9.376 4.892) 10.831 2.430 ( -3.442 3.329 -1.988) 5.185 3.208 ( -3.392 -0.120 21.048) 21.320 3.585 ( 0.850 2.263 -15.226) 15.417 3.747 ( 2.840 6.511 0.752) 7.143 3.836 ( 0.779 5.558 -8.569) 10.243 4.596 ( 4.104 16.443 16.829) 23.884 4.891 ( -5.976 11.772 -12.008) 17.846 6.024 ( -3.243 3.074 5.662) 7.213 6.170 ( 7.686 5.677 -7.576) 12.194 7.131 ( -0.428 2.147 4.223) 4.757 7.205 ( -2.516 -4.376 -1.665) 5.315 7.923 ( -2.111 -0.949 -0.502) 2.368 7.933 ( 2.141 -3.244 -1.668) 4.230 8.443 ( 0.748 -0.568 4.177) 4.282 8.504 ( -1.360 -0.483 -2.002) 2.468 11.669 ( 0.045 3.998 2.226) 4.576 11.704 ( 0.359 4.681 -1.525) 4.936 12.007 ( 0.685 -1.783 2.256) 2.956 12.054 ( -0.983 -2.471 -2.411) 3.590 12.756 ( -0.286 -11.049 2.758) 11.391 12.812 ( 0.150 -10.132 -2.845) 10.525 13.561 ( 1.443 1.196 0.329) 1.903 13.587 ( -0.758 1.496 -2.313) 2.857 14.099 ( -1.135 2.263 2.257) 3.392 14.129 ( 0.681 2.463 -0.765) 2.667 ======================= Grid point 362 (178/216) ======================= q-point: ( 0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -2.585 2.106 -1.971) 3.873 0.971 ( 3.767 2.216 0.820) 4.447 1.624 ( -1.474 5.965 5.650) 8.348 1.828 ( 1.846 2.270 -2.114) 3.610 2.291 ( -5.284 3.674 -1.029) 6.517 2.539 ( 7.754 8.604 3.034) 11.973 3.208 ( -3.794 0.049 21.394) 21.727 3.562 ( 2.574 4.547 -10.150) 11.416 3.717 ( -0.757 -1.692 -12.265) 12.404 3.939 ( 7.081 5.630 -0.233) 9.050 4.729 ( 1.888 16.092 3.491) 16.575 4.855 ( 7.518 10.562 2.632) 13.229 5.967 ( -3.795 1.361 2.485) 4.736 6.280 ( 6.794 7.056 -12.665) 16.011 7.051 ( -5.891 -3.698 3.561) 7.814 7.260 ( 4.378 -0.023 4.246) 6.099 7.887 ( -1.033 -0.728 -0.474) 1.349 7.971 ( 2.054 -2.034 -1.057) 3.078 8.368 ( -6.161 -0.169 1.345) 6.309 8.552 ( 3.323 0.336 0.811) 3.437 11.636 ( -3.117 3.639 0.648) 4.835 11.704 ( -0.566 5.454 -0.971) 5.569 12.022 ( -0.262 -1.999 1.255) 2.375 12.035 ( -0.002 -1.677 -0.716) 1.823 12.757 ( -0.441 -10.454 2.312) 10.716 12.809 ( 0.266 -8.870 -2.174) 9.137 13.563 ( -0.690 1.457 -2.185) 2.715 13.592 ( 1.494 0.730 -0.422) 1.715 14.067 ( -2.210 2.860 1.992) 4.127 14.157 ( 1.671 1.484 -0.076) 2.236 ======================= Grid point 363 (179/216) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.468 0.585 -0.228) 0.783 1.035 ( 2.860 0.514 -0.649) 2.978 1.659 ( 3.927 0.140 2.540) 4.679 1.825 ( -1.005 1.109 -2.016) 2.511 2.191 ( -5.008 1.839 -2.145) 5.750 2.686 ( 6.415 6.861 0.787) 9.425 3.201 ( -3.657 -0.529 21.096) 21.417 3.639 ( 2.316 -6.105 -16.761) 17.988 3.678 ( 6.854 -0.100 -4.376) 8.133 4.070 ( 6.068 4.411 3.852) 8.433 4.754 ( 2.987 7.767 -5.289) 9.860 5.080 ( 10.173 13.421 10.926) 20.075 5.901 ( -3.435 -1.748 0.708) 3.918 6.343 ( 4.580 6.770 -16.972) 18.837 6.965 ( -4.568 -5.174 6.337) 9.370 7.342 ( 1.917 -2.501 4.378) 5.394 7.896 ( 2.422 1.843 0.081) 3.044 8.003 ( 1.537 0.309 -0.308) 1.598 8.255 ( -5.781 1.368 1.575) 6.146 8.603 ( 1.721 1.655 -0.192) 2.395 11.573 ( -3.412 4.279 0.302) 5.481 11.673 ( -2.077 6.057 -1.415) 6.558 12.010 ( -0.478 -1.259 -0.894) 1.617 12.043 ( 0.036 -0.701 1.975) 2.096 12.753 ( -0.548 -7.750 1.075) 7.843 12.805 ( -0.266 -7.340 -0.800) 7.388 13.547 ( -0.192 0.777 -1.777) 1.949 13.616 ( 1.173 -0.051 -1.113) 1.618 14.037 ( -1.510 2.890 2.527) 4.125 14.184 ( 1.153 0.304 -0.311) 1.232 ======================= Grid point 364 (180/216) ======================= q-point: ( 0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 2.921 -1.022 2.319) 3.867 1.080 ( 2.175 -1.779 -1.228) 3.066 1.724 ( -1.153 -3.097 4.089) 5.258 1.861 ( 8.851 -2.977 -3.593) 10.005 2.081 ( -5.553 1.380 -2.799) 6.370 2.772 ( 2.304 1.187 -2.485) 3.591 3.200 ( -3.003 -1.806 18.889) 19.211 3.555 ( -2.572 -7.904 -15.060) 17.202 3.919 ( 14.986 -2.845 -0.336) 15.257 4.192 ( 4.877 3.114 6.018) 8.348 4.819 ( 5.551 3.140 -4.969) 8.085 5.253 ( 3.863 8.828 7.702) 12.336 5.850 ( -2.051 -4.285 2.654) 5.441 6.351 ( 2.248 5.554 -18.898) 19.825 6.917 ( -2.919 -7.024 9.089) 11.852 7.338 ( -3.044 -6.785 -0.028) 7.436 7.979 ( 4.785 4.595 0.460) 6.650 8.037 ( 2.983 4.688 0.976) 5.642 8.169 ( -3.697 3.382 2.944) 5.811 8.613 ( -0.360 2.937 -2.339) 3.772 11.517 ( -2.418 5.459 0.785) 6.022 11.624 ( -2.294 7.233 -2.181) 7.895 12.002 ( -0.072 -0.392 -0.479) 0.623 12.043 ( -0.610 0.301 1.747) 1.874 12.744 ( -0.440 -4.877 0.094) 4.897 12.791 ( -1.049 -5.626 0.221) 5.728 13.545 ( 0.361 -0.033 -0.638) 0.734 13.629 ( 0.730 -0.952 -2.077) 2.399 14.029 ( -0.272 2.238 3.376) 4.060 14.196 ( 0.217 -0.599 -1.095) 1.267 ======================= Grid point 365 (181/216) ======================= q-point: ( 0.40 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 4.485 -2.130 3.800) 6.252 1.108 ( 1.039 -3.667 -1.923) 4.269 1.702 ( -1.419 -1.800 5.608) 6.059 1.941 ( -4.405 -3.208 -5.511) 7.750 2.108 ( 12.850 -4.387 1.515) 13.662 2.724 ( -6.548 -6.418 -5.924) 10.916 3.207 ( -1.964 -2.296 16.031) 16.313 3.478 ( -0.438 -6.761 -12.533) 14.247 4.183 ( 10.478 0.531 3.704) 11.126 4.286 ( 2.930 1.317 5.813) 6.642 4.940 ( 8.710 -2.029 -4.267) 9.909 5.248 ( -6.070 0.613 2.511) 6.598 5.855 ( 0.816 -3.516 8.538) 9.270 6.311 ( -0.355 4.625 -18.783) 19.347 6.916 ( -0.268 -10.049 10.681) 14.668 7.248 ( -4.714 -8.150 -4.546) 10.455 8.021 ( 0.604 4.626 0.806) 4.734 8.100 ( 0.092 7.742 -4.260) 8.837 8.191 ( 5.904 6.204 9.638) 12.893 8.574 ( -2.292 3.931 -5.311) 6.994 11.488 ( -1.023 6.655 1.814) 6.973 11.576 ( -1.696 8.500 -2.927) 9.148 12.005 ( 0.275 0.261 0.518) 0.642 12.032 ( -0.768 1.030 0.627) 1.429 12.741 ( -0.002 -3.661 0.244) 3.669 12.768 ( -1.198 -3.581 0.001) 3.776 13.555 ( 0.554 -0.642 0.778) 1.151 13.630 ( 0.256 -1.608 -3.076) 3.480 14.047 ( 0.923 1.170 4.135) 4.395 14.184 ( -0.860 -0.923 -1.998) 2.363 ======================= Grid point 366 (182/216) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 1.144 -2.338 4.146) 4.895 1.107 ( 0.343 -4.442 -4.239) 6.150 1.704 ( -1.780 -2.130 9.175) 9.586 1.868 ( 0.878 -1.450 -7.531) 7.719 2.347 ( 4.899 -5.721 8.169) 11.111 2.520 ( -6.793 -11.393 -9.968) 16.592 3.208 ( -3.461 -2.292 14.990) 15.554 3.470 ( 3.542 -5.941 -12.209) 14.032 4.286 ( -1.907 5.827 8.259) 10.286 4.352 ( 2.592 0.377 0.521) 2.671 5.051 ( -10.631 -3.663 3.311) 11.722 5.130 ( 8.243 -6.715 -4.218) 11.438 5.917 ( 1.656 -2.219 12.481) 12.785 6.221 ( -2.945 4.252 -17.432) 18.183 6.972 ( 2.093 -12.714 11.450) 17.238 7.163 ( -1.266 -6.949 -8.121) 10.763 8.028 ( -0.251 6.124 2.109) 6.482 8.079 ( -0.795 6.835 -2.644) 7.372 8.332 ( 4.161 7.262 8.115) 11.658 8.505 ( -1.611 4.217 -9.083) 10.143 11.486 ( -0.130 7.299 2.933) 7.868 11.546 ( -0.308 8.847 -3.260) 9.433 12.002 ( -1.136 1.527 1.949) 2.724 12.034 ( 1.222 0.371 -1.162) 1.727 12.734 ( -1.125 -4.032 1.628) 4.492 12.764 ( 1.241 -2.089 -1.564) 2.890 13.567 ( 0.070 -1.078 1.800) 2.099 13.621 ( 0.065 -1.670 -3.702) 4.062 14.085 ( 1.488 0.137 4.433) 4.678 14.152 ( -1.615 -0.536 -2.592) 3.101 ======================= Grid point 367 (183/216) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -3.590 -2.538 -0.409) 4.415 1.106 ( -0.065 -3.191 -2.532) 4.074 1.686 ( -1.870 -1.256 7.305) 7.645 1.938 ( 6.963 -2.206 -4.439) 8.548 2.127 ( -16.962 -8.042 -1.179) 18.809 2.630 ( 7.639 -3.764 3.264) 9.120 3.180 ( -3.433 -3.974 14.672) 15.583 3.518 ( 4.854 -4.897 -12.415) 14.201 4.188 ( -10.511 1.684 4.134) 11.420 4.349 ( -2.925 4.790 -0.279) 5.619 4.820 ( -11.974 -3.193 6.041) 13.786 5.292 ( 7.127 -3.671 -1.626) 8.180 5.981 ( 0.490 -0.630 13.099) 13.123 6.102 ( -3.797 3.440 -14.648) 15.519 7.028 ( 0.612 -8.454 4.518) 9.605 7.186 ( 5.583 -9.685 -3.411) 11.688 8.027 ( -0.736 6.772 2.857) 7.387 8.048 ( -1.963 5.971 -1.480) 6.458 8.335 ( -3.273 4.315 -2.647) 6.028 8.521 ( 4.107 4.782 -2.279) 6.703 11.494 ( 0.164 7.309 2.223) 7.642 11.553 ( 1.876 7.679 -1.597) 8.065 11.985 ( -1.026 1.576 1.607) 2.474 12.059 ( 1.629 -0.020 -1.274) 2.068 12.722 ( -0.459 -3.944 1.399) 4.210 12.792 ( 1.876 -3.385 -1.595) 4.186 13.562 ( -1.016 -1.581 0.913) 2.090 13.616 ( 0.467 -0.871 -2.502) 2.690 14.110 ( -1.506 0.390 -1.823) 2.397 14.128 ( 1.129 -0.365 3.321) 3.527 ======================= Grid point 368 (184/216) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -3.518 -0.999 -3.234) 4.882 1.076 ( -2.309 -1.284 -1.013) 2.829 1.689 ( -1.026 -1.332 8.261) 8.430 1.829 ( -11.643 -4.283 -1.886) 12.548 2.075 ( 7.202 0.196 -1.575) 7.375 2.711 ( -0.275 3.867 3.538) 5.249 3.195 ( -0.248 -6.544 17.066) 18.279 3.565 ( 4.239 -3.525 -13.644) 14.716 3.929 ( -15.535 -1.630 -0.487) 15.628 4.254 ( -6.622 6.556 0.185) 9.320 4.657 ( -7.939 2.943 9.336) 12.604 5.363 ( 0.534 3.108 -2.668) 4.131 5.983 ( -1.822 5.908 -6.492) 8.965 6.039 ( -0.592 -2.553 8.343) 8.745 7.046 ( 1.250 -3.214 -2.183) 4.082 7.299 ( 5.151 -10.530 1.800) 11.860 7.979 ( -4.285 5.751 0.654) 7.202 8.026 ( -0.516 4.157 0.258) 4.197 8.279 ( -0.347 1.376 -5.679) 5.853 8.582 ( 2.096 3.628 0.230) 4.196 11.515 ( 1.541 6.336 1.481) 6.687 11.598 ( 2.902 6.102 -0.137) 6.758 11.976 ( -0.461 0.934 1.613) 1.920 12.082 ( 1.149 -0.632 -1.701) 2.148 12.725 ( 0.280 -5.072 1.453) 5.283 12.819 ( 1.348 -5.625 -1.894) 6.086 13.541 ( -1.081 -1.267 0.029) 1.666 13.619 ( 0.324 -0.095 -1.342) 1.384 14.079 ( -0.834 1.720 -1.814) 2.635 14.156 ( 0.447 -0.364 3.044) 3.098 ======================= Grid point 369 (185/216) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -1.897 1.504 -2.571) 3.531 1.028 ( -2.267 1.344 0.209) 2.644 1.641 ( -4.003 0.548 5.791) 7.061 1.737 ( -0.618 2.880 3.644) 4.686 2.194 ( 5.508 1.164 -0.975) 5.714 2.669 ( -4.441 7.911 2.158) 9.326 3.241 ( -2.221 -5.637 19.645) 20.558 3.589 ( 2.265 -3.011 -14.050) 14.546 3.678 ( -7.190 1.799 -3.580) 8.231 4.109 ( -8.235 7.373 -0.143) 11.054 4.561 ( -5.528 7.899 11.575) 15.065 5.285 ( -6.852 10.958 -7.517) 14.951 5.966 ( 2.643 3.904 -5.219) 7.033 6.057 ( -1.047 -0.065 10.611) 10.662 7.065 ( 1.612 -0.276 -3.286) 3.671 7.358 ( -0.235 -6.890 2.033) 7.187 7.910 ( -2.126 0.690 -1.176) 2.526 8.008 ( -1.353 2.471 -0.873) 2.949 8.294 ( 2.961 -0.368 -2.029) 3.608 8.598 ( -0.487 1.994 0.169) 2.060 11.563 ( 2.879 5.192 1.549) 6.135 11.655 ( 2.763 4.835 0.099) 5.570 11.977 ( 0.060 -0.105 1.735) 1.739 12.090 ( 0.247 -1.432 -2.167) 2.610 12.738 ( 0.434 -7.173 1.768) 7.400 12.828 ( 0.345 -8.220 -2.289) 8.540 13.528 ( -0.205 -0.265 0.162) 0.372 13.617 ( -0.100 0.601 -1.331) 1.464 14.070 ( 0.345 2.676 -0.869) 2.835 14.162 ( -0.598 0.306 1.967) 2.078 ======================= Grid point 370 (186/216) ======================= q-point: (-0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 1.079 3.413 0.682) 3.644 0.987 ( -2.269 3.024 -0.624) 3.832 1.645 ( 1.723 4.592 5.394) 7.291 1.733 ( -1.077 6.260 4.189) 7.609 2.283 ( 4.174 4.217 1.248) 6.064 2.562 ( -7.031 6.923 0.288) 9.872 3.222 ( -5.014 -2.014 20.452) 21.153 3.588 ( 3.413 -0.878 -13.957) 14.396 3.655 ( 3.555 5.588 -3.781) 7.626 3.949 ( -7.716 7.784 -2.440) 11.229 4.527 ( -1.818 11.876 14.304) 18.680 5.087 ( -9.602 14.043 -11.241) 20.390 6.036 ( 3.414 5.113 0.582) 6.175 6.066 ( 0.883 1.297 3.727) 4.044 7.092 ( 2.081 1.674 -1.013) 2.857 7.305 ( -5.064 -4.366 0.159) 6.688 7.900 ( 1.269 -3.179 -1.713) 3.828 7.970 ( -2.182 0.609 -1.079) 2.509 8.366 ( 4.295 -1.011 1.532) 4.670 8.566 ( -2.763 0.506 -0.506) 2.854 11.627 ( 2.932 4.577 1.824) 5.734 11.695 ( 1.335 4.244 -0.373) 4.464 11.988 ( 0.476 -1.184 1.906) 2.294 12.079 ( -0.626 -2.159 -2.439) 3.317 12.750 ( 0.114 -9.548 2.297) 9.821 12.821 ( -0.148 -10.041 -2.657) 10.388 13.536 ( 0.889 0.743 0.396) 1.224 13.606 ( -0.540 1.218 -1.789) 2.230 14.085 ( 1.134 2.851 0.283) 3.082 14.146 ( -1.404 1.383 0.889) 2.162 ======================= Grid point 371 (187/216) ======================= q-point: ( 0.00 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 1.759 4.032 1.124) 4.540 1.002 ( -1.938 3.645 -2.034) 4.602 1.720 ( -0.854 1.911 6.959) 7.268 1.840 ( 1.785 0.403 -5.416) 5.717 2.567 ( 0.925 9.721 3.536) 10.385 2.596 ( -1.857 11.471 0.977) 11.661 3.215 ( -1.513 1.097 15.412) 15.524 3.548 ( 2.535 -4.000 -17.859) 18.476 3.892 ( 0.707 6.490 0.709) 6.567 3.943 ( -0.970 4.532 -5.296) 7.037 4.933 ( 7.147 17.220 13.293) 22.897 5.138 ( -8.417 12.689 -7.707) 17.067 6.111 ( -5.406 5.603 9.639) 12.391 6.282 ( 8.934 5.514 -6.446) 12.320 7.088 ( -2.761 -6.968 4.351) 8.667 7.150 ( 0.330 -1.093 -2.963) 3.175 7.864 ( 2.305 -2.762 0.590) 3.646 7.913 ( -2.563 -0.595 -4.225) 4.977 8.455 ( 1.197 1.512 3.751) 4.218 8.506 ( -1.265 0.611 -1.464) 2.029 11.760 ( -1.038 5.359 3.253) 6.354 11.814 ( 1.567 6.481 -2.266) 7.042 11.977 ( 0.430 -1.051 1.345) 1.761 12.007 ( -0.967 -2.214 -1.378) 2.781 12.526 ( -0.935 -12.141 3.159) 12.580 12.595 ( 1.079 -11.706 -3.921) 12.392 13.585 ( 1.302 1.288 0.387) 1.872 13.612 ( -0.563 1.040 -2.287) 2.574 14.138 ( -0.875 1.632 2.346) 2.988 14.166 ( 0.445 1.280 -0.534) 1.457 ======================= Grid point 372 (188/216) ======================= q-point: ( 0.10 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -3.072 3.939 -1.021) 5.099 1.026 ( 2.057 2.857 0.606) 3.572 1.712 ( -1.975 2.765 5.133) 6.156 1.845 ( 0.714 -0.325 -5.833) 5.885 2.432 ( -8.179 10.248 1.377) 13.184 2.707 ( 5.208 7.644 2.767) 9.655 3.228 ( -2.187 1.906 15.041) 15.318 3.533 ( 2.040 -4.830 -17.829) 18.584 3.777 ( -6.053 5.486 -3.670) 8.956 4.036 ( 5.653 3.338 0.956) 6.634 4.982 ( -5.194 11.661 -6.109) 14.152 5.138 ( 9.136 15.368 12.496) 21.813 6.011 ( -7.329 3.270 6.649) 10.422 6.415 ( 7.277 6.043 -10.919) 14.446 6.967 ( -7.815 -4.690 3.669) 9.825 7.213 ( 3.057 -4.634 1.212) 5.682 7.882 ( 0.937 -0.096 -2.751) 2.908 7.931 ( 4.016 -1.660 1.421) 4.572 8.399 ( -4.180 3.175 0.243) 5.255 8.562 ( 3.843 0.539 0.849) 3.972 11.725 ( -2.951 5.353 2.158) 6.482 11.828 ( 0.263 7.200 -2.505) 7.627 11.982 ( -0.095 -1.897 0.770) 2.050 12.009 ( 1.160 -0.777 0.297) 1.428 12.531 ( 0.535 -12.091 2.983) 12.465 12.616 ( 2.181 -10.709 -3.789) 11.567 13.590 ( -0.848 1.288 -2.664) 3.078 13.607 ( 0.835 0.780 -0.075) 1.145 14.117 ( -1.792 2.139 2.171) 3.535 14.177 ( 0.605 0.606 -0.072) 0.859 ======================= Grid point 373 (189/216) ======================= q-point: ( 0.20 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -1.863 3.888 0.323) 4.323 1.055 ( 0.803 1.040 -0.341) 1.358 1.682 ( -2.153 1.824 3.040) 4.148 1.837 ( 0.502 -0.231 -6.186) 6.211 2.282 ( -7.633 7.643 -0.029) 10.802 2.783 ( 1.369 2.706 2.327) 3.823 3.225 ( -2.777 2.486 13.579) 14.081 3.504 ( -0.429 -6.505 -16.465) 17.709 3.712 ( 2.273 3.642 -1.830) 4.667 4.145 ( 4.999 1.778 3.977) 6.631 4.902 ( -1.767 8.031 -4.073) 9.176 5.318 ( 5.090 9.080 8.372) 13.358 5.893 ( -6.724 2.173 7.895) 10.595 6.481 ( 4.008 6.753 -16.693) 18.447 6.843 ( -6.945 -7.020 8.746) 13.191 7.232 ( -1.078 -8.134 -2.401) 8.549 7.941 ( 5.268 2.125 0.342) 5.691 8.020 ( 4.730 1.388 2.593) 5.570 8.330 ( -2.729 5.985 -1.316) 6.708 8.626 ( 2.526 0.570 -0.010) 2.589 11.676 ( -2.560 6.217 1.964) 7.004 11.813 ( -0.588 8.290 -3.064) 8.858 11.987 ( 0.293 -1.048 0.773) 1.334 12.034 ( 1.115 0.017 0.922) 1.447 12.560 ( 1.356 -11.139 2.879) 11.585 12.647 ( 2.049 -9.188 -3.635) 10.092 13.567 ( -0.639 1.162 -2.588) 2.908 13.616 ( 0.273 0.111 -0.729) 0.786 14.089 ( -1.697 2.352 2.435) 3.787 14.185 ( 0.124 -0.272 -0.153) 0.335 ======================= Grid point 374 (190/216) ======================= q-point: ( 0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.528 1.880 1.723) 2.604 1.054 ( -0.455 -1.085 -1.432) 1.853 1.661 ( -1.130 -1.898 3.656) 4.272 1.837 ( 2.225 -0.769 -7.804) 8.151 2.147 ( -5.844 5.339 -0.892) 7.966 2.751 ( -5.613 -3.609 0.129) 6.674 3.213 ( -1.983 2.791 9.946) 10.519 3.431 ( -1.548 -4.414 -11.078) 12.025 3.863 ( 12.256 -1.090 1.402) 12.384 4.253 ( 4.587 1.305 6.026) 7.685 4.878 ( 0.221 3.212 -3.331) 4.633 5.341 ( -4.727 -1.445 1.121) 5.069 5.836 ( -2.440 4.697 14.195) 15.150 6.471 ( 1.361 6.569 -20.540) 21.608 6.755 ( -6.010 -9.495 13.763) 17.768 7.167 ( -3.556 -10.089 -7.677) 13.167 8.046 ( 4.574 3.144 0.978) 5.636 8.143 ( 6.661 3.923 6.259) 9.947 8.290 ( -0.563 8.863 -3.846) 9.678 8.654 ( 0.509 1.110 -1.585) 2.001 11.646 ( -1.264 7.574 2.527) 8.084 11.793 ( -0.440 9.946 -3.786) 10.651 11.997 ( 0.392 -0.247 1.158) 1.247 12.053 ( 0.519 0.851 0.685) 1.209 12.594 ( 1.044 -9.755 2.900) 10.231 12.669 ( 1.368 -7.552 -3.479) 8.426 13.552 ( -0.077 0.738 -1.886) 2.027 13.614 ( -0.135 -0.550 -1.507) 1.610 14.071 ( -1.022 1.992 2.939) 3.694 14.180 ( -0.459 -0.965 -0.654) 1.253 ======================= Grid point 375 (191/216) ======================= q-point: ( 0.40 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 2.620 -1.936 1.870) 3.756 1.034 ( -1.080 -3.822 -1.632) 4.294 1.657 ( -0.931 -2.818 6.133) 6.814 1.859 ( 1.366 -3.654 -8.904) 9.721 2.100 ( 2.984 2.459 -0.519) 3.901 2.568 ( -12.505 -9.019 -2.904) 15.689 3.220 ( -0.514 3.300 8.749) 9.365 3.390 ( 0.442 -2.042 -8.320) 8.578 4.137 ( 14.044 -2.166 4.427) 14.883 4.350 ( 3.112 2.432 6.416) 7.534 4.889 ( 2.392 -2.700 -3.867) 5.288 5.169 ( -12.037 -8.446 -1.290) 14.761 5.869 ( -0.079 5.190 18.169) 18.896 6.413 ( -0.478 5.804 -21.196) 21.981 6.702 ( -4.141 -11.614 16.268) 20.413 7.072 ( -2.612 -9.688 -11.580) 15.322 8.118 ( 2.726 5.197 1.424) 6.039 8.239 ( -0.180 5.140 2.047) 5.535 8.332 ( 6.958 8.444 0.169) 10.942 8.633 ( -1.783 1.935 -3.620) 4.475 11.643 ( -0.148 8.950 3.540) 9.626 11.771 ( -0.593 11.064 -4.353) 11.904 12.012 ( 0.814 0.483 1.323) 1.627 12.057 ( -0.251 1.555 0.192) 1.586 12.615 ( 0.112 -8.562 3.136) 9.119 12.679 ( 0.964 -6.306 -3.544) 7.298 13.552 ( 0.335 0.283 -0.617) 0.757 13.603 ( -0.274 -1.039 -2.459) 2.683 14.071 ( -0.057 1.158 3.428) 3.619 14.164 ( -0.936 -1.196 -1.236) 1.958 ======================= Grid point 376 (192/216) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 1.364 -4.118 1.800) 4.697 1.007 ( -0.332 -5.746 -2.668) 6.344 1.664 ( -0.810 -2.124 8.224) 8.533 1.837 ( 0.733 -2.400 -9.044) 9.386 2.243 ( 4.117 -3.995 2.722) 6.350 2.307 ( -6.389 -8.922 -4.644) 11.915 3.223 ( -2.641 3.449 9.063) 10.051 3.400 ( 3.468 -1.181 -9.232) 9.932 4.363 ( 4.828 1.366 4.198) 6.542 4.384 ( -0.506 3.967 2.871) 4.923 4.923 ( -11.986 -9.031 1.267) 15.062 4.967 ( 7.389 -9.428 -2.835) 12.310 5.929 ( -0.158 3.418 20.109) 20.398 6.325 ( -1.866 6.300 -19.672) 20.740 6.710 ( -0.271 -13.850 16.881) 21.837 7.011 ( 0.623 -8.538 -13.881) 16.308 8.160 ( 0.833 6.976 2.669) 7.515 8.221 ( -0.801 7.083 -2.986) 7.728 8.457 ( 3.537 5.326 4.565) 7.856 8.571 ( -2.197 2.348 -6.357) 7.124 11.656 ( 0.013 9.831 4.593) 10.851 11.744 ( -0.618 11.028 -4.407) 11.892 12.033 ( 0.726 1.510 0.984) 1.943 12.047 ( -0.451 1.308 -0.207) 1.399 12.618 ( -0.787 -7.813 3.286) 8.513 12.686 ( 0.894 -6.197 -3.673) 7.259 13.555 ( -0.238 -0.081 0.645) 0.693 13.593 ( 0.395 -1.081 -3.244) 3.443 14.089 ( 0.736 0.231 3.670) 3.750 14.139 ( -1.031 -0.801 -1.577) 2.047 ======================= Grid point 377 (193/216) ======================= q-point: (-0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -1.535 -2.941 -1.613) 3.689 1.027 ( 1.430 -4.868 -0.980) 5.168 1.671 ( -1.125 -0.863 8.485) 8.603 1.826 ( -0.967 -7.201 -9.560) 12.007 2.082 ( -4.167 2.030 1.145) 4.775 2.511 ( 12.358 -7.311 2.788) 14.627 3.180 ( -4.058 3.395 7.797) 9.423 3.452 ( 4.501 -1.776 -9.415) 10.586 4.218 ( -13.038 2.022 -2.821) 13.492 4.426 ( -1.178 2.940 -1.131) 3.363 4.779 ( -4.459 -1.359 6.931) 8.353 5.142 ( 10.099 -10.497 1.032) 14.603 5.983 ( -0.737 1.439 19.601) 19.668 6.231 ( -1.843 8.940 -15.968) 18.393 6.795 ( 3.422 -14.617 15.726) 21.741 7.011 ( 3.867 -8.573 -14.087) 16.938 8.154 ( -1.933 6.539 -0.995) 6.891 8.204 ( -0.662 8.654 1.231) 8.766 8.415 ( -5.587 3.601 -4.011) 7.763 8.587 ( 2.907 1.834 0.011) 3.438 11.664 ( -0.670 9.806 3.930) 10.586 11.730 ( 0.505 10.086 -2.721) 10.459 12.023 ( -1.135 2.200 0.028) 2.476 12.060 ( 0.893 0.233 0.039) 0.924 12.608 ( -1.203 -7.736 3.122) 8.428 12.687 ( 0.330 -7.407 -3.648) 8.263 13.544 ( -0.823 -0.178 0.134) 0.853 13.600 ( 1.076 -0.680 -2.189) 2.532 14.114 ( -0.027 -0.017 1.134) 1.135 14.122 ( 0.454 -0.229 0.843) 0.985 ======================= Grid point 378 (194/216) ======================= q-point: (-0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -0.302 0.781 -3.183) 3.291 1.041 ( 0.474 -2.127 -0.149) 2.184 1.667 ( -2.184 -0.757 8.412) 8.723 1.762 ( -0.440 -2.507 -6.247) 6.746 2.130 ( 6.178 5.027 1.154) 8.048 2.720 ( 7.493 -3.304 3.169) 8.781 3.142 ( -2.103 1.573 9.777) 10.124 3.498 ( 3.331 -3.390 -10.529) 11.552 3.943 ( -12.195 3.683 -5.986) 14.075 4.350 ( -5.245 2.645 -3.824) 7.009 4.752 ( -1.852 6.196 9.359) 11.376 5.319 ( 7.032 -6.280 2.494) 9.752 6.019 ( -0.689 1.210 11.920) 12.001 6.167 ( -0.951 11.578 -6.300) 13.215 6.911 ( 3.691 -11.206 9.595) 15.207 7.071 ( 6.216 -11.443 -9.105) 15.889 8.086 ( -4.520 5.269 -3.225) 7.654 8.173 ( -4.165 9.761 2.959) 11.017 8.314 ( -1.756 1.761 -5.592) 6.120 8.624 ( 0.568 0.568 1.215) 1.457 11.665 ( 0.072 8.775 2.212) 9.050 11.743 ( 1.263 8.646 -0.367) 8.745 12.001 ( -1.128 1.595 0.287) 1.974 12.070 ( 0.177 -0.495 -0.655) 0.840 12.592 ( -1.488 -8.544 2.934) 9.156 12.672 ( -0.752 -9.263 -3.633) 9.978 13.532 ( -0.262 0.411 0.051) 0.490 13.614 ( 0.913 -0.360 -1.538) 1.824 14.108 ( 0.099 1.160 -0.756) 1.388 14.148 ( 0.839 -0.432 2.567) 2.735 ======================= Grid point 379 (195/216) ======================= q-point: (-0.20 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.452 3.736 -2.631) 4.591 1.050 ( 0.344 0.797 0.046) 0.870 1.670 ( 0.338 1.971 6.692) 6.985 1.771 ( 2.063 0.127 -2.806) 3.485 2.271 ( 7.666 7.091 1.493) 10.549 2.789 ( -0.953 3.393 1.470) 3.819 3.167 ( -0.078 -1.248 13.997) 14.053 3.514 ( 2.416 -4.319 -11.379) 12.409 3.776 ( -2.257 7.658 -7.918) 11.244 4.219 ( -6.806 2.994 -3.900) 8.396 4.756 ( -0.837 11.582 10.744) 15.820 5.398 ( 0.281 0.844 -0.643) 1.098 6.044 ( 2.146 4.474 0.535) 4.991 6.156 ( -0.726 9.671 7.181) 12.067 6.986 ( 2.727 -7.552 1.318) 8.137 7.171 ( 4.926 -11.938 -1.960) 13.062 7.963 ( -6.686 4.386 -2.041) 8.253 8.082 ( -4.422 4.612 -3.209) 7.150 8.318 ( 2.238 2.726 -0.141) 3.529 8.616 ( -1.667 -0.231 0.961) 1.938 11.687 ( 1.660 7.407 1.853) 7.814 11.771 ( 1.507 7.052 0.230) 7.215 11.982 ( -0.938 0.651 0.612) 1.295 12.062 ( -0.710 -1.312 -1.240) 1.940 12.569 ( -1.811 -9.922 2.856) 10.482 12.638 ( -1.417 -10.946 -3.621) 11.616 13.537 ( 0.666 1.110 0.359) 1.343 13.624 ( 0.521 0.052 -1.482) 1.571 14.115 ( 0.699 1.813 -0.067) 1.944 14.165 ( 0.252 0.001 1.711) 1.729 ======================= Grid point 380 (196/216) ======================= q-point: (-0.10 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 1.828 4.826 -0.493) 5.185 1.042 ( -1.157 2.470 -1.122) 2.949 1.703 ( 0.315 1.886 7.217) 7.466 1.810 ( 2.781 0.983 -3.943) 4.924 2.426 ( 7.753 10.282 2.334) 13.087 2.719 ( -6.079 7.700 1.295) 9.895 3.196 ( -1.545 -0.224 15.467) 15.546 3.538 ( 3.872 -3.768 -14.854) 15.806 3.793 ( 5.285 7.760 -4.935) 10.607 4.073 ( -7.155 4.038 -3.353) 8.874 4.802 ( 2.320 15.585 12.246) 19.956 5.318 ( -6.950 8.875 -6.014) 12.776 6.125 ( 4.616 5.102 3.492) 7.715 6.164 ( 0.038 7.748 4.805) 9.117 7.040 ( 3.066 -6.608 0.345) 7.293 7.208 ( -1.139 -6.443 -1.255) 6.662 7.862 ( -2.584 0.182 -0.819) 2.717 7.991 ( -3.865 1.175 -4.469) 6.024 8.380 ( 3.693 2.238 2.186) 4.840 8.569 ( -3.307 -0.226 0.200) 3.320 11.734 ( 2.188 6.300 2.340) 7.068 11.796 ( 1.064 6.087 -0.430) 6.194 11.972 ( -0.335 -0.393 0.822) 0.971 12.036 ( -1.368 -1.965 -1.492) 2.821 12.543 ( -1.771 -11.283 3.057) 11.823 12.604 ( -0.699 -11.849 -3.804) 12.464 13.558 ( 1.298 1.444 0.540) 2.015 13.624 ( -0.009 0.562 -1.792) 1.878 14.131 ( 0.710 1.842 0.980) 2.204 14.168 ( -0.302 0.750 0.641) 1.031 ======================= Grid point 381 (197/216) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.320 2.916 0.513) 2.978 1.061 ( -0.573 2.104 -1.506) 2.650 1.751 ( 0.001 1.504 3.338) 3.661 1.819 ( 1.270 -1.836 -3.792) 4.400 2.744 ( -0.653 7.321 5.003) 8.891 2.777 ( -0.845 6.261 2.499) 6.794 3.261 ( 0.562 3.670 5.165) 6.361 3.456 ( 1.747 -5.174 -13.730) 14.777 3.982 ( -0.498 2.937 -1.028) 3.151 4.004 ( -1.071 1.761 -3.643) 4.185 5.237 ( 5.710 12.871 8.930) 16.674 5.348 ( -5.199 7.632 -2.877) 9.673 6.228 ( -7.190 6.052 10.169) 13.847 6.365 ( 5.518 2.088 -2.572) 6.436 6.965 ( 0.883 -4.100 5.152) 6.643 7.082 ( 2.028 -5.522 -6.786) 8.981 7.840 ( 0.140 0.316 0.814) 0.885 7.895 ( -2.897 -1.305 -4.551) 5.550 8.491 ( 1.183 1.931 2.533) 3.397 8.520 ( -0.339 0.572 -0.361) 0.756 11.870 ( -1.624 5.145 4.305) 6.902 11.935 ( 1.116 2.829 -1.454) 3.371 11.981 ( 0.688 2.111 -0.189) 2.228 11.990 ( -0.373 3.746 -1.257) 3.969 12.294 ( -1.156 -11.259 2.952) 11.697 12.365 ( 1.583 -11.549 -4.255) 12.409 13.609 ( 0.877 1.086 -0.054) 1.397 13.626 ( -0.132 0.367 -1.740) 1.783 14.163 ( -0.525 0.921 1.845) 2.128 14.180 ( 0.142 0.162 0.101) 0.238 ======================= Grid point 382 (198/216) ======================= q-point: ( 0.10 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -2.306 3.670 -0.300) 4.345 1.068 ( 0.397 1.146 -0.027) 1.214 1.750 ( -1.010 1.643 1.978) 2.762 1.823 ( 0.552 -1.745 -4.890) 5.221 2.642 ( -8.154 9.964 3.050) 13.231 2.809 ( -0.037 2.299 4.116) 4.715 3.279 ( -0.320 3.152 4.608) 5.592 3.435 ( 0.658 -4.841 -13.958) 14.788 3.886 ( -5.099 5.478 -1.152) 7.572 4.051 ( 2.791 -1.687 0.852) 3.371 5.208 ( -6.892 10.826 -2.327) 13.043 5.366 ( 3.434 6.467 5.367) 9.079 6.113 ( -7.559 7.749 11.055) 15.473 6.463 ( 4.470 -2.877 0.750) 5.368 6.906 ( -6.046 0.059 -3.863) 7.174 7.099 ( 0.810 -6.484 -5.840) 8.764 7.880 ( 2.839 0.098 -0.171) 2.846 7.907 ( 5.075 -0.987 3.029) 5.992 8.475 ( -1.118 4.044 -0.717) 4.257 8.566 ( 3.094 -0.374 0.209) 3.124 11.837 ( -2.562 5.597 3.369) 7.017 11.949 ( 0.200 -1.448 1.628) 2.188 11.983 ( 1.340 8.203 -3.890) 9.177 12.017 ( 1.861 2.603 0.361) 3.220 12.300 ( 0.927 -11.207 2.527) 11.526 12.398 ( 2.989 -11.409 -4.317) 12.559 13.612 ( -0.623 0.907 -2.175) 2.437 13.620 ( 0.271 0.481 -0.535) 0.769 14.150 ( -1.288 1.294 1.778) 2.548 14.180 ( -0.180 -0.259 0.331) 0.457 ======================= Grid point 383 (199/216) ======================= q-point: ( 0.20 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -2.287 4.229 0.063) 4.809 1.063 ( -0.912 -0.417 -0.491) 1.117 1.722 ( -2.312 2.256 0.401) 3.255 1.814 ( 0.442 -1.915 -6.023) 6.335 2.470 ( -10.205 10.648 1.078) 14.788 2.780 ( -4.696 -3.133 3.341) 6.560 3.279 ( -0.669 2.796 2.864) 4.058 3.398 ( -0.097 -4.270 -11.412) 12.185 3.825 ( -0.308 7.578 2.092) 7.868 4.116 ( 3.504 -4.595 3.870) 6.954 5.074 ( -6.284 9.371 -1.447) 11.375 5.376 ( -3.924 -2.961 0.822) 4.984 6.033 ( -4.727 11.906 15.205) 19.882 6.525 ( 0.901 -5.945 5.006) 7.824 6.762 ( -6.246 2.259 -9.066) 11.238 7.056 ( -2.268 -9.264 -10.680) 14.319 7.981 ( 6.398 2.083 2.831) 7.300 8.036 ( 6.696 -0.036 4.870) 8.280 8.461 ( 0.247 6.633 -2.852) 7.225 8.620 ( 2.519 -1.343 -0.826) 2.971 11.806 ( -1.557 6.666 3.323) 7.610 11.963 ( 0.641 -1.469 2.345) 2.840 11.996 ( 1.264 10.066 -4.338) 11.034 12.055 ( 1.923 2.667 0.356) 3.307 12.340 ( 2.177 -10.937 2.387) 11.404 12.445 ( 3.201 -11.268 -4.540) 12.563 13.591 ( -0.746 1.216 -2.388) 2.781 13.617 ( -0.264 -0.076 -1.007) 1.044 14.128 ( -1.552 1.593 1.873) 2.908 14.174 ( -0.643 -0.819 0.322) 1.090 ======================= Grid point 384 (200/216) ======================= q-point: ( 0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -2.316 3.021 0.017) 3.807 1.027 ( -2.514 -1.884 -1.874) 3.658 1.671 ( -2.743 2.580 -0.259) 3.775 1.804 ( 0.634 -2.686 -7.182) 7.694 2.283 ( -8.544 8.344 -0.512) 11.954 2.635 ( -10.866 -7.856 0.225) 13.411 3.281 ( 0.673 3.496 0.427) 3.585 3.376 ( 0.579 -1.827 -5.011) 5.365 3.910 ( 7.787 5.917 5.705) 11.322 4.214 ( 5.126 -5.301 6.135) 9.593 4.958 ( -5.562 5.119 -1.207) 7.655 5.230 ( -10.656 -7.914 -1.293) 13.336 6.017 ( -2.844 12.250 17.657) 21.678 6.524 ( -4.199 -10.128 14.522) 18.196 6.628 ( -2.968 5.549 -17.837) 18.914 6.965 ( -2.619 -10.146 -14.875) 18.195 8.111 ( 5.824 3.309 2.925) 7.309 8.183 ( 6.340 0.454 6.379) 9.005 8.466 ( 1.515 8.214 -4.600) 9.536 8.652 ( 1.136 -1.413 -2.024) 2.718 11.802 ( -0.126 7.841 3.837) 8.731 11.976 ( -0.281 0.493 1.214) 1.340 12.016 ( 2.336 10.019 -3.377) 10.828 12.088 ( 1.296 3.198 0.149) 3.454 12.389 ( 1.873 -10.696 2.763) 11.204 12.487 ( 2.664 -10.871 -4.854) 12.200 13.572 ( -0.397 1.165 -2.142) 2.470 13.605 ( -0.555 -0.428 -1.426) 1.589 14.105 ( -1.344 1.543 2.089) 2.924 14.158 ( -0.975 -1.232 0.075) 1.572 ======================= Grid point 385 (201/216) ======================= q-point: ( 0.40 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -1.627 -0.592 -0.815) 1.914 0.960 ( -3.440 -3.730 -2.759) 5.776 1.632 ( -1.223 1.104 1.344) 2.127 1.789 ( 0.192 -4.189 -8.313) 9.311 2.172 ( -2.219 4.495 -1.038) 5.119 2.399 ( -12.384 -7.736 -1.486) 14.677 3.307 ( 1.183 4.633 2.093) 5.220 3.382 ( 1.332 0.360 -3.752) 3.998 4.139 ( 13.117 2.694 7.615) 15.405 4.346 ( 6.165 -3.230 6.807) 9.736 4.853 ( -4.594 -0.636 -2.777) 5.405 4.985 ( -13.785 -8.512 -1.667) 16.286 6.024 ( -2.666 9.774 19.914) 22.343 6.467 ( -6.139 -11.873 17.385) 21.929 6.540 ( -0.531 6.825 -19.322) 20.499 6.878 ( -0.875 -9.933 -17.332) 19.996 8.216 ( 4.175 4.489 2.642) 6.675 8.297 ( 3.270 1.028 4.542) 5.690 8.493 ( 2.716 7.259 -3.766) 8.617 8.646 ( -0.958 -0.695 -3.119) 3.336 11.822 ( 0.732 8.679 4.651) 9.874 11.963 ( -0.964 4.229 -1.115) 4.478 12.056 ( 2.284 7.865 -1.372) 8.304 12.103 ( 0.276 3.694 -0.350) 3.721 12.424 ( 0.677 -10.561 3.380) 11.109 12.514 ( 1.795 -10.390 -5.116) 11.720 13.564 ( 0.081 0.826 -1.438) 1.660 13.589 ( -0.509 -0.482 -1.866) 1.994 14.092 ( -0.688 1.083 2.335) 2.665 14.139 ( -0.993 -1.297 -0.197) 1.645 ======================= Grid point 386 (202/216) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 1.243 -4.312 -0.582) 4.525 0.897 ( -1.498 -4.983 -2.704) 5.864 1.632 ( 0.059 -0.578 3.974) 4.016 1.755 ( -0.999 -5.573 -8.491) 10.205 2.198 ( -4.035 -1.094 -0.057) 4.182 2.207 ( 2.948 -1.671 -1.143) 3.577 3.316 ( -1.499 5.217 3.577) 6.501 3.405 ( 2.525 0.791 -5.561) 6.159 4.401 ( 9.190 2.488 6.191) 11.357 4.449 ( 0.206 2.295 2.134) 3.141 4.745 ( -7.558 -7.584 0.600) 10.724 4.790 ( 0.726 -7.860 -3.619) 8.684 6.036 ( -3.072 7.208 22.780) 24.090 6.432 ( -0.983 -9.041 7.334) 11.683 6.477 ( -1.754 4.044 -6.657) 7.984 6.832 ( 1.907 -9.642 -18.054) 20.557 8.285 ( 1.919 5.363 2.724) 6.314 8.332 ( 0.387 3.721 -1.327) 3.969 8.539 ( 1.749 3.164 0.811) 3.705 8.596 ( -2.712 0.276 -4.108) 4.930 11.851 ( 0.291 9.077 5.603) 10.671 11.937 ( -0.874 6.376 -2.601) 6.941 12.078 ( -0.393 4.555 0.791) 4.640 12.104 ( 0.740 5.735 -2.062) 6.140 12.435 ( -0.640 -10.570 3.791) 11.248 12.522 ( 0.685 -10.286 -5.147) 11.522 13.561 ( -0.242 0.579 -0.460) 0.778 13.580 ( 0.411 -0.397 -2.359) 2.428 14.095 ( 0.164 0.406 2.517) 2.554 14.122 ( -0.583 -0.912 -0.305) 1.125 ======================= Grid point 387 (203/216) ======================= q-point: (-0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 2.056 -2.431 -1.718) 3.618 0.930 ( 3.547 -4.515 0.033) 5.742 1.647 ( -0.161 -1.008 5.110) 5.211 1.714 ( -0.178 -4.229 -6.223) 7.526 2.154 ( 2.000 4.778 0.713) 5.229 2.375 ( 11.150 -6.399 1.014) 12.896 3.278 ( -3.157 5.730 2.330) 6.945 3.430 ( 1.590 -1.312 -5.831) 6.185 4.286 ( -11.488 5.023 -6.627) 14.182 4.455 ( -3.209 -0.350 -3.495) 4.757 4.766 ( 4.873 0.201 5.727) 7.523 4.931 ( 12.029 -9.763 2.870) 15.755 6.053 ( -2.230 6.024 22.518) 23.416 6.424 ( 0.496 10.126 -13.714) 17.054 6.496 ( 2.335 -14.803 19.140) 24.309 6.834 ( 3.841 -9.667 -17.104) 20.018 8.278 ( -2.495 5.744 -2.870) 6.889 8.345 ( 1.249 4.662 0.136) 4.828 8.476 ( -6.343 3.009 -2.653) 7.505 8.593 ( 0.949 -1.188 1.790) 2.348 11.856 ( -1.377 8.782 4.327) 9.887 11.924 ( 0.284 8.330 -1.509) 8.470 12.054 ( -1.814 2.016 0.260) 2.724 12.110 ( 0.085 5.887 -1.426) 6.058 12.424 ( -1.657 -10.800 3.776) 11.561 12.507 ( -0.688 -10.723 -4.863) 11.794 13.553 ( -0.240 0.950 -0.514) 1.107 13.589 ( 1.008 -0.611 -1.693) 2.063 14.112 ( 0.615 -0.084 2.165) 2.252 14.118 ( 0.317 -0.272 0.116) 0.434 ======================= Grid point 388 (204/216) ======================= q-point: (-0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 3.104 1.060 -1.720) 3.703 0.998 ( 3.319 -2.064 0.757) 3.981 1.665 ( 0.891 0.476 4.353) 4.469 1.718 ( 1.716 -2.105 -2.894) 3.969 2.262 ( 8.298 8.217 1.669) 11.797 2.605 ( 11.190 -7.693 3.070) 13.922 3.225 ( -2.688 5.720 2.388) 6.756 3.427 ( 0.407 -4.032 -6.519) 7.676 4.068 ( -7.619 8.402 -9.670) 14.905 4.345 ( -5.579 -3.142 -6.898) 9.412 4.883 ( 4.851 6.904 6.366) 10.570 5.170 ( 10.590 -8.072 4.470) 14.046 6.101 ( 0.605 7.409 18.458) 19.899 6.395 ( -0.443 10.416 -6.344) 12.204 6.637 ( 5.894 -14.347 16.589) 22.711 6.865 ( 4.628 -10.345 -15.642) 19.316 8.193 ( -4.881 5.350 -5.407) 9.037 8.316 ( -7.096 0.689 -6.719) 9.796 8.376 ( -0.167 7.779 4.490) 8.983 8.603 ( -0.663 -2.708 2.827) 3.971 11.839 ( -1.053 8.228 2.118) 8.561 11.929 ( 0.075 9.506 0.667) 9.529 12.020 ( -1.673 0.198 -0.285) 1.709 12.096 ( -1.131 4.491 -0.907) 4.720 12.397 ( -2.342 -11.164 3.405) 11.905 12.467 ( -1.912 -11.345 -4.322) 12.290 13.553 ( 0.392 1.486 -0.275) 1.561 13.604 ( 1.025 -0.772 -1.263) 1.801 14.124 ( 0.677 0.527 0.346) 0.925 14.139 ( 1.035 -0.418 1.853) 2.163 ======================= Grid point 389 (205/216) ======================= q-point: (-0.20 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 2.051 3.238 -1.461) 4.102 1.055 ( 2.144 -0.410 0.200) 2.192 1.703 ( 1.138 1.303 4.810) 5.112 1.753 ( 2.758 -1.486 -2.760) 4.176 2.453 ( 10.144 10.553 2.793) 14.902 2.779 ( 5.039 -4.130 3.536) 7.413 3.206 ( -0.295 4.638 4.402) 6.401 3.422 ( 1.972 -5.096 -8.388) 10.011 3.948 ( -1.745 9.216 -9.620) 13.436 4.217 ( -5.453 -3.053 -6.332) 8.897 4.989 ( 4.240 11.654 7.389) 14.436 5.345 ( 6.102 -5.616 3.565) 9.027 6.184 ( 2.873 9.917 11.097) 15.157 6.362 ( -1.908 9.847 -0.488) 10.042 6.793 ( 4.580 -11.020 12.982) 17.633 6.923 ( 6.561 -12.504 -11.881) 18.454 8.058 ( -7.363 4.786 -5.035) 10.123 8.149 ( -7.422 1.405 -6.166) 9.751 8.400 ( 1.184 5.471 3.263) 6.479 8.587 ( -1.796 -2.771 2.507) 4.146 11.838 ( 0.337 7.232 1.760) 7.451 11.930 ( -0.106 9.032 0.883) 9.076 11.990 ( -1.293 -0.564 -0.390) 1.464 12.064 ( -1.835 3.035 -0.696) 3.614 12.359 ( -2.604 -11.378 2.949) 12.039 12.413 ( -2.175 -11.741 -3.810) 12.534 13.566 ( 0.998 1.732 0.053) 1.999 13.619 ( 0.849 -0.629 -1.126) 1.544 14.141 ( 0.844 0.910 0.675) 1.412 14.162 ( 0.759 -0.309 1.329) 1.561 ======================= Grid point 390 (206/216) ======================= q-point: (-0.10 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 1.736 3.754 -0.601) 4.179 1.075 ( 0.139 0.766 -0.856) 1.157 1.733 ( 0.588 1.374 4.215) 4.472 1.795 ( 2.347 -1.645 -2.956) 4.118 2.638 ( 7.573 10.118 3.645) 13.153 2.818 ( -1.362 1.858 3.142) 3.896 3.230 ( 0.742 3.832 5.683) 6.894 3.447 ( 3.270 -5.403 -11.546) 13.160 3.937 ( 2.717 6.635 -5.944) 9.313 4.101 ( -4.925 -0.965 -4.346) 6.639 5.101 ( 5.067 14.150 8.658) 17.345 5.411 ( -0.145 0.233 0.424) 0.505 6.266 ( 2.631 8.679 5.389) 10.550 6.320 ( -2.696 7.424 2.598) 8.315 6.890 ( 3.449 -7.090 6.493) 10.214 7.030 ( 5.921 -11.019 -5.138) 13.523 7.906 ( -6.222 3.527 -2.839) 7.695 8.001 ( -5.934 -0.382 -6.117) 8.531 8.441 ( 2.129 3.645 2.756) 5.041 8.554 ( -2.257 -1.486 1.491) 3.086 11.860 ( 0.990 5.819 2.783) 6.526 11.931 ( -0.032 7.051 -0.193) 7.053 11.971 ( -0.294 0.139 -0.432) 0.541 12.024 ( -2.044 2.328 -0.653) 3.167 12.320 ( -2.308 -11.303 3.018) 11.924 12.370 ( -0.761 -11.784 -4.011) 12.471 13.589 ( 1.192 1.566 0.167) 1.975 13.628 ( 0.446 -0.207 -1.305) 1.395 14.157 ( 0.476 0.925 1.262) 1.636 14.175 ( 0.292 0.014 0.619) 0.685 ======================= Grid point 391 (207/216) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.088 -0.550 -0.451) 0.716 1.077 ( -0.088 0.550 -0.451) 0.716 1.783 ( 0.692 -1.777 -0.410) 1.951 1.783 ( 0.692 1.777 -0.410) 1.951 2.828 ( -0.899 -1.004 4.913) 5.094 2.828 ( -0.899 1.004 4.913) 5.094 3.352 ( 1.426 -5.310 -6.010) 8.145 3.352 ( 1.426 5.310 -6.010) 8.145 4.015 ( -1.057 -0.566 -2.372) 2.658 4.015 ( -1.057 0.566 -2.372) 2.658 5.399 ( 0.951 -2.989 3.014) 4.350 5.399 ( 0.951 2.989 3.014) 4.350 6.337 ( -3.662 -4.502 6.054) 8.386 6.337 ( -3.662 4.502 6.054) 8.386 6.971 ( 4.273 -4.380 -2.682) 6.681 6.971 ( 4.273 4.380 -2.682) 6.681 7.864 ( -2.204 -1.719 -2.042) 3.462 7.864 ( -2.204 1.719 -2.042) 3.462 8.519 ( 0.647 -0.761 1.062) 1.457 8.519 ( 0.647 0.761 1.062) 1.457 11.927 ( -0.877 -1.351 2.040) 2.599 11.927 ( -0.877 1.351 2.040) 2.599 12.091 ( -0.246 -8.046 1.396) 8.170 12.091 ( -0.246 8.046 1.396) 8.170 12.154 ( 1.254 -9.274 -3.388) 9.953 12.154 ( 1.254 9.274 -3.388) 9.953 13.625 ( 0.374 -0.462 -0.876) 1.058 13.625 ( 0.374 0.462 -0.876) 1.058 14.176 ( -0.181 -0.461 0.985) 1.103 14.176 ( -0.181 0.461 0.985) 1.103 ======================= Grid point 393 (208/216) ======================= q-point: ( 0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -1.084 -1.525 -0.201) 1.882 1.064 ( -1.084 1.525 -0.201) 1.882 1.785 ( -0.094 -1.928 -1.710) 2.579 1.785 ( -0.094 1.928 -1.710) 2.579 2.788 ( -4.890 -4.449 4.404) 7.944 2.788 ( -4.890 4.449 4.404) 7.944 3.349 ( 0.287 -3.980 -6.172) 7.350 3.349 ( 0.287 3.980 -6.172) 7.350 3.986 ( -1.391 -4.547 0.374) 4.770 3.986 ( -1.391 4.547 0.374) 4.770 5.373 ( -4.173 -5.085 0.356) 6.588 5.373 ( -4.173 5.085 0.356) 6.588 6.308 ( -2.332 -10.927 11.343) 15.922 6.308 ( -2.332 10.927 11.343) 15.922 6.975 ( -1.454 -5.763 -9.958) 11.597 6.975 ( -1.454 5.763 -9.958) 11.597 7.889 ( 4.441 -0.778 2.570) 5.190 7.889 ( 4.441 0.778 2.570) 5.190 8.540 ( 1.423 -2.351 -0.568) 2.807 8.540 ( 1.423 2.351 -0.568) 2.807 11.916 ( -0.938 -2.351 2.794) 3.770 11.916 ( -0.938 2.351 2.794) 3.770 12.107 ( 1.442 -7.988 1.044) 8.184 12.107 ( 1.442 7.988 1.044) 8.184 12.180 ( 2.529 -10.564 -4.027) 11.585 12.180 ( 2.529 10.564 -4.027) 11.585 13.623 ( -0.210 -0.203 -1.347) 1.378 13.623 ( -0.210 0.203 -1.347) 1.378 14.170 ( -0.767 -0.780 1.044) 1.512 14.170 ( -0.767 0.780 1.044) 1.512 ======================= Grid point 395 (209/216) ======================= q-point: ( 0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -2.013 -2.534 -0.401) 3.261 1.034 ( -2.013 2.534 -0.401) 3.261 1.769 ( -0.731 -2.473 -3.193) 4.105 1.769 ( -0.731 2.473 -3.193) 4.105 2.664 ( -9.249 -8.457 2.245) 12.732 2.664 ( -9.249 8.457 2.246) 12.732 3.332 ( 0.212 -2.760 -5.075) 5.781 3.332 ( 0.212 2.760 -5.075) 5.781 3.985 ( 1.168 -8.138 3.872) 9.087 3.985 ( 1.168 8.138 3.872) 9.087 5.253 ( -7.903 -8.450 -0.519) 11.581 5.253 ( -7.903 8.450 -0.519) 11.581 6.302 ( -3.188 -14.133 15.528) 21.237 6.302 ( -3.188 14.133 15.528) 21.237 6.884 ( -3.021 -8.119 -15.736) 17.963 6.884 ( -3.021 8.119 -15.736) 17.963 8.019 ( 7.055 -1.613 4.750) 8.656 8.019 ( 7.055 1.613 4.750) 8.656 8.568 ( 1.845 -4.078 -2.139) 4.961 8.568 ( 1.845 4.078 -2.139) 4.961 11.914 ( -0.257 -3.878 3.338) 5.124 11.914 ( -0.257 3.878 3.338) 5.124 12.148 ( 2.268 -6.953 0.933) 7.373 12.148 ( 2.268 6.953 0.933) 7.373 12.220 ( 2.878 -10.794 -4.552) 12.063 12.220 ( 2.878 10.794 -4.552) 12.063 13.610 ( -0.582 -0.702 -1.703) 1.932 13.610 ( -0.582 0.702 -1.703) 1.932 14.154 ( -1.182 -1.156 1.069) 1.969 14.154 ( -1.182 1.156 1.069) 1.969 ======================= Grid point 397 (210/216) ======================= q-point: ( 0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -3.407 -2.737 -1.424) 4.596 0.981 ( -3.407 2.737 -1.424) 4.596 1.738 ( -1.242 -3.774 -4.471) 5.982 1.738 ( -1.242 3.774 -4.471) 5.982 2.461 ( -11.360 -9.450 -0.319) 14.780 2.461 ( -11.360 9.450 -0.319) 14.780 3.338 ( 1.784 -2.304 -2.808) 4.046 3.338 ( 1.784 2.304 -2.808) 4.046 4.066 ( 5.554 -8.933 7.012) 12.642 4.066 ( 5.554 8.933 7.012) 12.642 5.078 ( -10.031 -7.144 -0.597) 12.329 5.078 ( -10.031 7.144 -0.597) 12.329 6.276 ( -4.904 -13.625 17.719) 22.883 6.276 ( -4.904 13.625 17.719) 22.883 6.780 ( -2.025 -8.712 -18.938) 20.944 6.780 ( -2.025 8.712 -18.938) 20.944 8.166 ( 6.360 -2.030 4.911) 8.287 8.166 ( 6.360 2.030 4.911) 8.287 8.593 ( 1.568 -4.679 -3.305) 5.939 8.593 ( 1.568 4.679 -3.305) 5.939 11.927 ( 0.407 -4.462 3.633) 5.768 11.927 ( 0.407 4.462 3.633) 5.768 12.193 ( 1.946 -6.966 1.289) 7.346 12.193 ( 1.946 6.966 1.289) 7.346 12.258 ( 2.615 -11.272 -5.110) 12.650 12.258 ( 2.615 11.272 -5.110) 12.650 13.593 ( -0.577 -0.881 -1.797) 2.082 13.593 ( -0.577 0.881 -1.797) 2.082 14.133 ( -1.286 -1.339 1.046) 2.131 14.133 ( -1.286 1.339 1.046) 2.131 ======================= Grid point 399 (211/216) ======================= q-point: ( 0.40 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -4.193 -2.266 -2.831) 5.544 0.897 ( -4.193 2.266 -2.831) 5.544 1.696 ( -1.572 -4.778 -4.581) 6.803 1.696 ( -1.572 4.778 -4.581) 6.803 2.270 ( -7.424 -5.635 -1.021) 9.376 2.270 ( -7.424 5.635 -1.021) 9.376 3.373 ( 2.118 -1.793 -1.402) 3.109 3.373 ( 2.118 1.793 -1.402) 3.109 4.238 ( 9.594 -6.619 8.385) 14.359 4.238 ( 9.594 6.619 8.385) 14.359 4.873 ( -10.698 -2.996 -1.914) 11.273 4.873 ( -10.698 2.996 -1.914) 11.273 6.234 ( -5.282 -11.526 19.811) 23.521 6.234 ( -5.282 11.526 19.811) 23.521 6.694 ( -0.442 -8.702 -20.143) 21.947 6.694 ( -0.442 8.702 -20.143) 21.947 8.284 ( 4.404 -2.241 3.853) 6.266 8.284 ( 4.404 2.241 3.853) 6.266 8.602 ( 0.390 -3.884 -3.555) 5.280 8.602 ( 0.390 3.884 -3.555) 5.280 11.948 ( 0.509 -3.710 3.515) 5.136 11.948 ( 0.509 3.710 3.515) 5.136 12.223 ( 0.529 -8.529 2.013) 8.779 12.223 ( 0.529 8.529 2.013) 8.779 12.287 ( 2.054 -12.140 -5.547) 13.505 12.287 ( 2.054 12.140 -5.547) 13.505 13.579 ( -0.286 -0.663 -1.665) 1.815 13.579 ( -0.286 0.663 -1.665) 1.815 14.114 ( -0.955 -1.187 1.047) 1.849 14.114 ( -0.955 1.187 1.047) 1.849 ======================= Grid point 401 (212/216) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -0.557 -0.783 -2.599) 2.771 0.834 ( -0.557 0.783 -2.599) 2.771 1.659 ( -0.829 -3.458 -2.741) 4.490 1.659 ( -0.829 3.458 -2.741) 4.490 2.194 ( -0.143 -0.311 -0.699) 0.779 2.194 ( -0.143 0.311 -0.699) 0.779 3.395 ( 0.413 -2.309 -1.334) 2.699 3.395 ( 0.413 2.309 -1.334) 2.699 4.451 ( 7.479 -2.064 5.731) 9.646 4.451 ( 7.479 2.064 5.731) 9.646 4.686 ( -5.431 -1.966 -2.900) 6.463 4.686 ( -5.431 1.966 -2.900) 6.463 6.207 ( -4.132 -10.370 22.350) 24.983 6.207 ( -4.132 10.370 22.350) 24.983 6.643 ( 1.670 -9.451 -19.486) 21.722 6.643 ( 1.670 9.451 -19.486) 21.722 8.354 ( 2.037 -1.420 1.330) 2.816 8.354 ( 2.037 1.420 1.330) 2.816 8.584 ( -1.363 -1.443 -2.171) 2.942 8.584 ( -1.363 1.443 -2.171) 2.942 11.964 ( 0.054 -2.242 2.921) 3.683 11.964 ( 0.054 2.242 2.921) 3.683 12.225 ( -1.048 -10.088 2.430) 10.429 12.225 ( -1.048 10.088 2.430) 10.429 12.299 ( 0.905 -11.970 -5.221) 13.091 12.299 ( 0.905 11.970 -5.221) 13.091 13.572 ( 0.088 -0.462 -1.425) 1.500 13.572 ( 0.088 0.462 -1.425) 1.500 14.106 ( -0.234 -0.717 1.119) 1.349 14.106 ( -0.234 0.717 1.119) 1.349 ======================= Grid point 403 (213/216) ======================= q-point: (-0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 4.428 -1.037 -0.655) 4.595 0.872 ( 4.428 1.037 -0.655) 4.595 1.654 ( 0.810 -1.834 -0.359) 2.036 1.654 ( 0.810 1.834 -0.359) 2.036 2.258 ( 6.725 -5.685 0.255) 8.809 2.258 ( 6.725 5.685 0.255) 8.809 3.378 ( -1.550 -4.083 -1.911) 4.767 3.378 ( -1.550 4.083 -1.911) 4.767 4.397 ( -7.607 -5.341 -7.130) 11.715 4.397 ( -7.607 5.341 -7.130) 11.715 4.798 ( 11.216 -3.684 5.054) 12.842 4.798 ( 11.216 3.684 5.054) 12.842 6.226 ( -1.215 -11.608 23.531) 26.266 6.226 ( -1.215 11.608 23.531) 26.266 6.635 ( 3.280 -10.581 -16.977) 20.271 6.635 ( 3.280 10.581 -16.977) 20.271 8.362 ( -1.215 -2.388 -3.398) 4.328 8.362 ( -1.215 2.388 -3.398) 4.328 8.545 ( -2.267 -3.519 1.667) 4.506 8.545 ( -2.267 3.519 1.667) 4.506 11.966 ( -0.590 -2.497 2.042) 3.279 11.966 ( -0.590 2.497 2.042) 3.279 12.202 ( -2.005 -11.233 2.573) 11.697 12.202 ( -2.005 11.233 2.573) 11.697 12.286 ( -0.671 -11.154 -4.379) 12.001 12.286 ( -0.671 11.154 -4.379) 12.001 13.573 ( 0.458 -0.972 -1.119) 1.551 13.573 ( 0.458 0.972 -1.119) 1.551 14.113 ( 0.547 -0.173 1.192) 1.323 14.113 ( 0.547 0.173 1.192) 1.323 ======================= Grid point 405 (214/216) ======================= q-point: (-0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 4.535 -1.437 0.066) 4.758 0.964 ( 4.535 1.437 0.066) 4.758 1.683 ( 1.943 -1.352 0.917) 2.538 1.683 ( 1.943 1.352 0.917) 2.538 2.437 ( 10.887 -9.165 2.104) 14.386 2.437 ( 10.887 9.165 2.104) 14.386 3.336 ( -1.666 -5.297 -2.590) 6.127 3.336 ( -1.666 5.297 -2.590) 6.127 4.235 ( -6.078 -7.726 -9.673) 13.791 4.235 ( -6.078 7.726 -9.673) 13.791 5.020 ( 9.708 -7.208 5.063) 13.109 5.020 ( 9.708 7.208 5.063) 13.109 6.307 ( 1.927 -13.019 21.341) 25.073 6.307 ( 1.927 13.019 21.341) 25.073 6.656 ( 3.889 -10.723 -13.211) 17.454 6.656 ( 3.889 10.723 -13.211) 17.454 8.282 ( -5.265 -3.416 -6.789) 9.246 8.282 ( -5.265 3.416 -6.789) 9.246 8.518 ( -1.521 -5.972 4.358) 7.548 8.518 ( -1.521 5.972 4.358) 7.548 11.956 ( -0.930 -3.674 1.267) 3.997 11.956 ( -0.930 3.674 1.267) 3.997 12.168 ( -2.245 -11.684 2.480) 12.153 12.168 ( -2.245 11.684 2.480) 12.153 12.248 ( -1.930 -10.308 -3.432) 11.035 12.248 ( -1.930 10.308 -3.432) 11.035 13.583 ( 0.806 -1.392 -0.773) 1.785 13.583 ( 0.806 1.392 -0.773) 1.785 14.132 ( 0.976 -0.350 1.167) 1.561 14.132 ( 0.976 0.350 1.167) 1.561 ======================= Grid point 407 (215/216) ======================= q-point: (-0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 2.721 -1.803 -0.274) 3.276 1.033 ( 2.721 1.803 -0.274) 3.276 1.726 ( 2.017 -1.216 0.998) 2.558 1.726 ( 2.017 1.216 0.998) 2.558 2.649 ( 9.269 -8.765 3.707) 13.285 2.649 ( 9.269 8.765 3.707) 13.285 3.314 ( 0.567 -5.845 -3.362) 6.767 3.314 ( 0.567 5.845 -3.362) 6.767 4.113 ( -3.525 -7.220 -8.714) 11.853 4.113 ( -3.525 7.220 -8.714) 11.853 5.197 ( 7.157 -9.299 5.235) 12.849 5.197 ( 7.157 9.299 5.235) 12.849 6.397 ( 0.666 -9.138 13.060) 15.953 6.397 ( 0.666 9.138 13.060) 15.953 6.715 ( 5.991 -6.885 -5.932) 10.885 6.715 ( 5.991 6.885 -5.932) 10.885 8.134 ( -7.507 -2.644 -6.842) 10.496 8.134 ( -7.507 2.644 -6.842) 10.496 8.509 ( -0.852 -5.104 3.887) 6.472 8.509 ( -0.852 5.104 3.887) 6.472 11.943 ( -0.739 -3.530 0.963) 3.732 11.943 ( -0.739 3.530 0.963) 3.732 12.135 ( -2.014 -10.904 2.168) 11.299 12.135 ( -2.014 10.904 2.168) 11.299 12.197 ( -2.146 -9.526 -2.783) 10.154 12.197 ( -2.146 9.526 -2.783) 10.154 13.598 ( 0.997 -1.413 -0.524) 1.807 13.598 ( 0.997 1.413 -0.524) 1.807 14.154 ( 0.898 -0.510 1.061) 1.480 14.154 ( 0.898 0.510 1.061) 1.480 ======================= Grid point 409 (216/216) ======================= q-point: (-0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 1.182 -1.532 -0.568) 2.016 1.068 ( 1.182 1.532 -0.568) 2.016 1.762 ( 1.462 -1.635 0.502) 2.250 1.762 ( 1.462 1.635 0.502) 2.250 2.788 ( 3.799 -4.791 4.531) 7.611 2.788 ( 3.799 4.791 4.531) 7.611 3.332 ( 2.189 -6.065 -4.743) 8.005 3.332 ( 2.189 6.065 -4.743) 8.005 4.046 ( -1.289 -4.393 -5.554) 7.197 4.046 ( -1.289 4.393 -5.554) 7.197 5.328 ( 4.772 -8.412 4.962) 10.870 5.328 ( 4.772 8.412 4.962) 10.870 6.395 ( -3.293 -1.907 4.990) 6.275 6.395 ( -3.293 1.907 4.990) 6.275 6.848 ( 7.882 -4.791 0.251) 9.228 6.848 ( 7.882 4.791 0.251) 9.228 7.971 ( -6.938 -2.682 -5.480) 9.239 7.971 ( -6.938 2.682 -5.480) 9.239 8.509 ( -0.170 -3.026 2.587) 3.985 8.509 ( -0.170 3.026 2.587) 3.985 11.935 ( -0.521 -2.265 1.271) 2.649 11.935 ( -0.521 2.265 1.271) 2.649 12.106 ( -1.593 -8.602 1.843) 8.941 12.106 ( -1.593 8.602 1.843) 8.941 12.159 ( -0.748 -8.415 -2.847) 8.915 12.159 ( -0.748 8.415 -2.847) 8.915 13.615 ( 0.854 -1.057 -0.545) 1.464 13.615 ( 0.854 1.057 -0.545) 1.464 14.170 ( 0.437 -0.456 0.978) 1.165 14.170 ( 0.437 0.456 0.978) 1.165 =================== 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 3/21000 10.0 15.221 9.795 10.624 0.000 2.336 0.000 3/21000 20.0 5.506 5.298 6.458 0.000 0.068 0.000 3/21000 30.0 4.044 4.286 5.168 0.000 -0.070 0.000 3/21000 40.0 3.316 3.762 4.493 0.000 -0.094 0.000 3/21000 50.0 2.833 3.387 4.026 0.000 -0.098 0.000 3/21000 60.0 2.479 3.084 3.651 0.000 -0.095 0.000 3/21000 70.0 2.204 2.834 3.336 0.000 -0.088 0.000 3/21000 80.0 1.985 2.626 3.067 0.000 -0.081 0.000 3/21000 90.0 1.805 2.453 2.834 0.000 -0.073 0.000 3/21000 100.0 1.656 2.306 2.633 0.000 -0.067 0.000 3/21000 110.0 1.530 2.181 2.456 0.000 -0.061 0.000 3/21000 120.0 1.422 2.072 2.300 0.000 -0.056 0.000 3/21000 130.0 1.328 1.976 2.163 0.000 -0.051 0.000 3/21000 140.0 1.246 1.889 2.040 0.000 -0.048 0.000 3/21000 150.0 1.173 1.811 1.930 0.000 -0.044 0.000 3/21000 160.0 1.109 1.739 1.831 0.000 -0.041 0.000 3/21000 170.0 1.051 1.673 1.741 0.000 -0.039 0.000 3/21000 180.0 0.999 1.611 1.659 0.000 -0.037 0.000 3/21000 190.0 0.951 1.553 1.585 0.000 -0.035 0.000 3/21000 200.0 0.908 1.499 1.516 0.000 -0.033 0.000 3/21000 210.0 0.869 1.448 1.453 0.000 -0.031 0.000 3/21000 220.0 0.833 1.401 1.395 0.000 -0.030 0.000 3/21000 230.0 0.800 1.356 1.341 0.000 -0.029 0.000 3/21000 240.0 0.769 1.313 1.292 0.000 -0.027 0.000 3/21000 250.0 0.740 1.273 1.245 0.000 -0.026 0.000 3/21000 260.0 0.714 1.235 1.202 0.000 -0.025 0.000 3/21000 270.0 0.689 1.199 1.161 0.000 -0.024 0.000 3/21000 280.0 0.666 1.165 1.124 0.000 -0.023 0.000 3/21000 290.0 0.644 1.132 1.088 0.000 -0.023 0.000 3/21000 300.0 0.624 1.101 1.055 0.000 -0.022 0.000 3/21000 310.0 0.605 1.072 1.023 0.000 -0.021 0.000 3/21000 320.0 0.587 1.044 0.993 0.000 -0.020 0.000 3/21000 330.0 0.570 1.017 0.965 0.000 -0.020 0.000 3/21000 340.0 0.554 0.992 0.939 0.000 -0.019 0.000 3/21000 350.0 0.539 0.967 0.913 0.000 -0.019 0.000 3/21000 360.0 0.525 0.944 0.890 0.000 -0.018 0.000 3/21000 370.0 0.511 0.922 0.867 0.000 -0.018 0.000 3/21000 380.0 0.498 0.901 0.845 0.000 -0.017 0.000 3/21000 390.0 0.486 0.880 0.825 0.000 -0.017 0.000 3/21000 400.0 0.474 0.861 0.805 0.000 -0.016 0.000 3/21000 410.0 0.463 0.842 0.786 0.000 -0.016 0.000 3/21000 420.0 0.452 0.824 0.768 0.000 -0.016 0.000 3/21000 430.0 0.442 0.807 0.751 0.000 -0.015 0.000 3/21000 440.0 0.432 0.790 0.735 0.000 -0.015 0.000 3/21000 450.0 0.423 0.774 0.719 0.000 -0.015 0.000 3/21000 460.0 0.414 0.759 0.704 0.000 -0.014 0.000 3/21000 470.0 0.406 0.744 0.690 0.000 -0.014 0.000 3/21000 480.0 0.397 0.730 0.676 0.000 -0.014 0.000 3/21000 490.0 0.389 0.716 0.663 0.000 -0.013 0.000 3/21000 500.0 0.382 0.703 0.650 0.000 -0.013 0.000 3/21000 510.0 0.375 0.690 0.638 0.000 -0.013 0.000 3/21000 520.0 0.367 0.678 0.626 0.000 -0.013 0.000 3/21000 530.0 0.361 0.666 0.614 0.000 -0.012 0.000 3/21000 540.0 0.354 0.654 0.603 0.000 -0.012 0.000 3/21000 550.0 0.348 0.643 0.592 0.000 -0.012 0.000 3/21000 560.0 0.342 0.632 0.582 0.000 -0.012 0.000 3/21000 570.0 0.336 0.622 0.572 0.000 -0.011 0.000 3/21000 580.0 0.330 0.612 0.563 0.000 -0.011 0.000 3/21000 590.0 0.325 0.602 0.553 0.000 -0.011 0.000 3/21000 600.0 0.319 0.593 0.544 0.000 -0.011 0.000 3/21000 610.0 0.314 0.583 0.536 0.000 -0.011 0.000 3/21000 620.0 0.309 0.575 0.527 0.000 -0.011 0.000 3/21000 630.0 0.304 0.566 0.519 0.000 -0.010 0.000 3/21000 640.0 0.300 0.557 0.511 0.000 -0.010 0.000 3/21000 650.0 0.295 0.549 0.503 0.000 -0.010 0.000 3/21000 660.0 0.291 0.541 0.496 0.000 -0.010 0.000 3/21000 670.0 0.287 0.534 0.489 0.000 -0.010 0.000 3/21000 680.0 0.282 0.526 0.482 0.000 -0.010 0.000 3/21000 690.0 0.278 0.519 0.475 0.000 -0.009 0.000 3/21000 700.0 0.274 0.512 0.468 0.000 -0.009 0.000 3/21000 710.0 0.271 0.505 0.462 0.000 -0.009 0.000 3/21000 720.0 0.267 0.498 0.455 0.000 -0.009 0.000 3/21000 730.0 0.263 0.491 0.449 0.000 -0.009 0.000 3/21000 740.0 0.260 0.485 0.443 0.000 -0.009 0.000 3/21000 750.0 0.256 0.479 0.437 0.000 -0.009 0.000 3/21000 760.0 0.253 0.473 0.432 0.000 -0.009 0.000 3/21000 770.0 0.250 0.467 0.426 0.000 -0.008 0.000 3/21000 780.0 0.247 0.461 0.421 0.000 -0.008 0.000 3/21000 790.0 0.244 0.455 0.416 0.000 -0.008 0.000 3/21000 800.0 0.241 0.450 0.410 0.000 -0.008 0.000 3/21000 810.0 0.238 0.444 0.405 0.000 -0.008 0.000 3/21000 820.0 0.235 0.439 0.401 0.000 -0.008 0.000 3/21000 830.0 0.232 0.434 0.396 0.000 -0.008 0.000 3/21000 840.0 0.229 0.429 0.391 0.000 -0.008 0.000 3/21000 850.0 0.227 0.424 0.387 0.000 -0.008 0.000 3/21000 860.0 0.224 0.419 0.382 0.000 -0.008 0.000 3/21000 870.0 0.221 0.415 0.378 0.000 -0.007 0.000 3/21000 880.0 0.219 0.410 0.374 0.000 -0.007 0.000 3/21000 890.0 0.216 0.406 0.369 0.000 -0.007 0.000 3/21000 900.0 0.214 0.401 0.365 0.000 -0.007 0.000 3/21000 910.0 0.212 0.397 0.361 0.000 -0.007 0.000 3/21000 920.0 0.209 0.393 0.358 0.000 -0.007 0.000 3/21000 930.0 0.207 0.389 0.354 0.000 -0.007 0.000 3/21000 940.0 0.205 0.385 0.350 0.000 -0.007 0.000 3/21000 950.0 0.203 0.381 0.346 0.000 -0.007 0.000 3/21000 960.0 0.201 0.377 0.343 0.000 -0.007 0.000 3/21000 970.0 0.199 0.373 0.339 0.000 -0.007 0.000 3/21000 980.0 0.197 0.369 0.336 0.000 -0.007 0.000 3/21000 990.0 0.195 0.366 0.332 0.000 -0.007 0.000 3/21000 1000.0 0.193 0.362 0.329 0.000 -0.007 0.000 3/21000 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:37:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|