----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:49:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.474652325070761 -5.222758390000000 0.000000000000000 b 3.474652325070761 5.222758390000000 0.000000000000000 c -0.719677419493675 0.000000000000000 4.188467503018712 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 *2 Y 0.67607919570506 0.32392080429494 0.00000000000000 88.906 3 Y 0.32392080429494 0.67607919570506 0.00000000000000 88.906 *4 F 0.32679118940900 0.04709554101443 0.06240054886242 18.998 5 F 0.04709554101443 0.32679118940900 0.06240054886242 18.998 *6 F 0.39138348523171 0.39138348523171 0.72245670381238 18.998 *7 F 0.25918930385088 0.74081069614912 0.50000000000000 18.998 8 F 0.74081069614912 0.25918930385088 0.50000000000000 18.998 9 F 0.60861651476829 0.60861651476829 0.27754329618762 18.998 10 F 0.95290445898557 0.67320881059100 0.93759945113758 18.998 11 F 0.67320881059100 0.95290445898557 0.93759945113758 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.949304650141522 0.000000000000000 0.000000000000000 b 0.000000000000000 10.445516780000000 0.000000000000000 c -0.719677419493675 0.000000000000000 4.188467503018712 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 1 2 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 1 *3 Y 0.50000000000000 0.82392080429494 0.00000000000000 88.906 > 2 4 Y 0.50000000000000 0.17607919570506 0.00000000000000 88.906 > 3 5 Y 0.00000000000000 0.32392080429494 0.00000000000000 88.906 > 2 6 Y 0.00000000000000 0.67607919570506 0.00000000000000 88.906 > 3 *7 F 0.18694336521171 0.86015217580272 0.06240054886242 18.998 > 4 8 F 0.18694336521171 0.13984782419728 0.06240054886242 18.998 > 5 *9 F 0.39138348523171 0.00000000000000 0.72245670381238 18.998 > 6 *10 F 0.50000000000000 0.24081069614912 0.50000000000000 18.998 > 7 11 F 0.50000000000000 0.75918930385088 0.50000000000000 18.998 > 8 12 F 0.60861651476829 0.00000000000000 0.27754329618762 18.998 > 9 13 F 0.81305663478829 0.86015217580272 0.93759945113758 18.998 > 10 14 F 0.81305663478829 0.13984782419728 0.93759945113758 18.998 > 11 15 F 0.68694336521171 0.36015217580272 0.06240054886242 18.998 > 4 16 F 0.68694336521171 0.63984782419728 0.06240054886242 18.998 > 5 17 F 0.89138348523171 0.50000000000000 0.72245670381238 18.998 > 6 18 F 0.00000000000000 0.74081069614912 0.50000000000000 18.998 > 7 19 F 0.00000000000000 0.25918930385088 0.50000000000000 18.998 > 8 20 F 0.10861651476829 0.50000000000000 0.27754329618762 18.998 > 9 21 F 0.31305663478829 0.36015217580272 0.93759945113758 18.998 > 10 22 F 0.31305663478829 0.63984782419728 0.93759945113758 18.998 > 11 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.898609300283043 0.000000000000000 0.000000000000000 b 0.000000000000000 10.445516780000000 0.000000000000000 c -2.159032258481025 0.000000000000000 12.565402509056137 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.16666666666667 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.16666666666667 137.327 > 1 3 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 1 4 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 1 5 Ba 0.00000000000000 0.00000000000000 0.83333333333333 137.327 > 1 6 Ba 0.50000000000000 0.00000000000000 0.83333333333333 137.327 > 1 7 Ba 0.25000000000000 0.50000000000000 0.16666666666667 137.327 > 1 8 Ba 0.75000000000000 0.50000000000000 0.16666666666667 137.327 > 1 9 Ba 0.25000000000000 0.50000000000000 0.50000000000000 137.327 > 1 10 Ba 0.75000000000000 0.50000000000000 0.50000000000000 137.327 > 1 11 Ba 0.25000000000000 0.50000000000000 0.83333333333333 137.327 > 1 12 Ba 0.75000000000000 0.50000000000000 0.83333333333333 137.327 > 1 *13 Y 0.25000000000000 0.82392080429494 0.00000000000000 88.906 > 2 14 Y 0.75000000000000 0.82392080429494 0.00000000000000 88.906 > 2 15 Y 0.25000000000000 0.82392080429494 0.33333333333333 88.906 > 2 16 Y 0.75000000000000 0.82392080429494 0.33333333333333 88.906 > 2 17 Y 0.25000000000000 0.82392080429494 0.66666666666667 88.906 > 2 18 Y 0.75000000000000 0.82392080429494 0.66666666666667 88.906 > 2 19 Y 0.25000000000000 0.17607919570506 0.00000000000000 88.906 > 3 20 Y 0.75000000000000 0.17607919570506 0.00000000000000 88.906 > 3 21 Y 0.25000000000000 0.17607919570506 0.33333333333333 88.906 > 3 22 Y 0.75000000000000 0.17607919570506 0.33333333333333 88.906 > 3 23 Y 0.25000000000000 0.17607919570506 0.66666666666667 88.906 > 3 24 Y 0.75000000000000 0.17607919570506 0.66666666666667 88.906 > 3 25 Y 0.00000000000000 0.32392080429494 0.00000000000000 88.906 > 2 26 Y 0.50000000000000 0.32392080429494 0.00000000000000 88.906 > 2 27 Y 0.00000000000000 0.32392080429494 0.33333333333333 88.906 > 2 28 Y 0.50000000000000 0.32392080429494 0.33333333333333 88.906 > 2 29 Y 0.00000000000000 0.32392080429494 0.66666666666667 88.906 > 2 30 Y 0.50000000000000 0.32392080429494 0.66666666666667 88.906 > 2 31 Y 0.00000000000000 0.67607919570506 0.00000000000000 88.906 > 3 32 Y 0.50000000000000 0.67607919570506 0.00000000000000 88.906 > 3 33 Y 0.00000000000000 0.67607919570506 0.33333333333333 88.906 > 3 34 Y 0.50000000000000 0.67607919570506 0.33333333333333 88.906 > 3 35 Y 0.00000000000000 0.67607919570506 0.66666666666667 88.906 > 3 36 Y 0.50000000000000 0.67607919570506 0.66666666666667 88.906 > 3 *37 F 0.09347168260586 0.86015217580272 0.02080018295414 18.998 > 4 38 F 0.59347168260586 0.86015217580272 0.02080018295414 18.998 > 4 39 F 0.09347168260586 0.86015217580272 0.35413351628747 18.998 > 4 40 F 0.59347168260586 0.86015217580272 0.35413351628747 18.998 > 4 41 F 0.09347168260586 0.86015217580272 0.68746684962081 18.998 > 4 42 F 0.59347168260586 0.86015217580272 0.68746684962081 18.998 > 4 43 F 0.09347168260586 0.13984782419728 0.02080018295414 18.998 > 5 44 F 0.59347168260586 0.13984782419728 0.02080018295414 18.998 > 5 45 F 0.09347168260586 0.13984782419728 0.35413351628747 18.998 > 5 46 F 0.59347168260586 0.13984782419728 0.35413351628747 18.998 > 5 47 F 0.09347168260586 0.13984782419728 0.68746684962081 18.998 > 5 48 F 0.59347168260586 0.13984782419728 0.68746684962081 18.998 > 5 *49 F 0.19569174261586 0.00000000000000 0.24081890127079 18.998 > 6 50 F 0.69569174261586 0.00000000000000 0.24081890127079 18.998 > 6 51 F 0.19569174261586 0.00000000000000 0.57415223460413 18.998 > 6 52 F 0.69569174261586 0.00000000000000 0.57415223460413 18.998 > 6 53 F 0.19569174261586 0.00000000000000 0.90748556793746 18.998 > 6 54 F 0.69569174261586 0.00000000000000 0.90748556793746 18.998 > 6 *55 F 0.25000000000000 0.24081069614912 0.16666666666667 18.998 > 7 56 F 0.75000000000000 0.24081069614912 0.16666666666667 18.998 > 7 57 F 0.25000000000000 0.24081069614912 0.50000000000000 18.998 > 7 58 F 0.75000000000000 0.24081069614912 0.50000000000000 18.998 > 7 59 F 0.25000000000000 0.24081069614912 0.83333333333333 18.998 > 7 60 F 0.75000000000000 0.24081069614912 0.83333333333333 18.998 > 7 61 F 0.25000000000000 0.75918930385088 0.16666666666667 18.998 > 8 62 F 0.75000000000000 0.75918930385088 0.16666666666667 18.998 > 8 63 F 0.25000000000000 0.75918930385088 0.50000000000000 18.998 > 8 64 F 0.75000000000000 0.75918930385088 0.50000000000000 18.998 > 8 65 F 0.25000000000000 0.75918930385088 0.83333333333333 18.998 > 8 66 F 0.75000000000000 0.75918930385088 0.83333333333333 18.998 > 8 67 F 0.30430825738414 0.00000000000000 0.09251443206254 18.998 > 9 68 F 0.80430825738414 0.00000000000000 0.09251443206254 18.998 > 9 69 F 0.30430825738414 0.00000000000000 0.42584776539587 18.998 > 9 70 F 0.80430825738414 0.00000000000000 0.42584776539587 18.998 > 9 71 F 0.30430825738414 0.00000000000000 0.75918109872921 18.998 > 9 72 F 0.80430825738414 0.00000000000000 0.75918109872921 18.998 > 9 73 F 0.40652831739414 0.86015217580272 0.31253315037919 18.998 > 10 74 F 0.90652831739414 0.86015217580272 0.31253315037919 18.998 > 10 75 F 0.40652831739414 0.86015217580272 0.64586648371253 18.998 > 10 76 F 0.90652831739414 0.86015217580272 0.64586648371253 18.998 > 10 77 F 0.40652831739414 0.86015217580272 0.97919981704586 18.998 > 10 78 F 0.90652831739414 0.86015217580272 0.97919981704586 18.998 > 10 79 F 0.40652831739414 0.13984782419728 0.31253315037919 18.998 > 11 80 F 0.90652831739414 0.13984782419728 0.31253315037919 18.998 > 11 81 F 0.40652831739414 0.13984782419728 0.64586648371253 18.998 > 11 82 F 0.90652831739414 0.13984782419728 0.64586648371253 18.998 > 11 83 F 0.40652831739414 0.13984782419728 0.97919981704586 18.998 > 11 84 F 0.90652831739414 0.13984782419728 0.97919981704586 18.998 > 11 85 F 0.34347168260586 0.36015217580272 0.02080018295414 18.998 > 4 86 F 0.84347168260586 0.36015217580272 0.02080018295414 18.998 > 4 87 F 0.34347168260586 0.36015217580272 0.35413351628747 18.998 > 4 88 F 0.84347168260586 0.36015217580272 0.35413351628747 18.998 > 4 89 F 0.34347168260586 0.36015217580272 0.68746684962081 18.998 > 4 90 F 0.84347168260586 0.36015217580272 0.68746684962081 18.998 > 4 91 F 0.34347168260586 0.63984782419728 0.02080018295414 18.998 > 5 92 F 0.84347168260586 0.63984782419728 0.02080018295414 18.998 > 5 93 F 0.34347168260586 0.63984782419728 0.35413351628747 18.998 > 5 94 F 0.84347168260586 0.63984782419728 0.35413351628747 18.998 > 5 95 F 0.34347168260586 0.63984782419728 0.68746684962081 18.998 > 5 96 F 0.84347168260586 0.63984782419728 0.68746684962081 18.998 > 5 97 F 0.44569174261586 0.50000000000000 0.24081890127079 18.998 > 6 98 F 0.94569174261586 0.50000000000000 0.24081890127079 18.998 > 6 99 F 0.44569174261586 0.50000000000000 0.57415223460413 18.998 > 6 100 F 0.94569174261586 0.50000000000000 0.57415223460413 18.998 > 6 101 F 0.44569174261586 0.50000000000000 0.90748556793746 18.998 > 6 102 F 0.94569174261586 0.50000000000000 0.90748556793746 18.998 > 6 103 F 0.00000000000000 0.74081069614912 0.16666666666667 18.998 > 7 104 F 0.50000000000000 0.74081069614912 0.16666666666667 18.998 > 7 105 F 0.00000000000000 0.74081069614912 0.50000000000000 18.998 > 7 106 F 0.50000000000000 0.74081069614912 0.50000000000000 18.998 > 7 107 F 0.00000000000000 0.74081069614912 0.83333333333333 18.998 > 7 108 F 0.50000000000000 0.74081069614912 0.83333333333333 18.998 > 7 109 F 0.00000000000000 0.25918930385088 0.16666666666667 18.998 > 8 110 F 0.50000000000000 0.25918930385088 0.16666666666667 18.998 > 8 111 F 0.00000000000000 0.25918930385088 0.50000000000000 18.998 > 8 112 F 0.50000000000000 0.25918930385088 0.50000000000000 18.998 > 8 113 F 0.00000000000000 0.25918930385088 0.83333333333333 18.998 > 8 114 F 0.50000000000000 0.25918930385088 0.83333333333333 18.998 > 8 115 F 0.05430825738414 0.50000000000000 0.09251443206254 18.998 > 9 116 F 0.55430825738414 0.50000000000000 0.09251443206254 18.998 > 9 117 F 0.05430825738414 0.50000000000000 0.42584776539587 18.998 > 9 118 F 0.55430825738414 0.50000000000000 0.42584776539587 18.998 > 9 119 F 0.05430825738414 0.50000000000000 0.75918109872921 18.998 > 9 120 F 0.55430825738414 0.50000000000000 0.75918109872921 18.998 > 9 121 F 0.15652831739414 0.36015217580272 0.31253315037919 18.998 > 10 122 F 0.65652831739414 0.36015217580272 0.31253315037919 18.998 > 10 123 F 0.15652831739414 0.36015217580272 0.64586648371253 18.998 > 10 124 F 0.65652831739414 0.36015217580272 0.64586648371253 18.998 > 10 125 F 0.15652831739414 0.36015217580272 0.97919981704586 18.998 > 10 126 F 0.65652831739414 0.36015217580272 0.97919981704586 18.998 > 10 127 F 0.15652831739414 0.63984782419728 0.31253315037919 18.998 > 11 128 F 0.65652831739414 0.63984782419728 0.31253315037919 18.998 > 11 129 F 0.15652831739414 0.63984782419728 0.64586648371253 18.998 > 11 130 F 0.65652831739414 0.63984782419728 0.64586648371253 18.998 > 11 131 F 0.15652831739414 0.63984782419728 0.97919981704586 18.998 > 11 132 F 0.65652831739414 0.63984782419728 0.97919981704586 18.998 > 11 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5993823 0.0000000 -0.0109517 0.0000000 2.6524855 0.0000000 -0.0109515 0.0000000 2.5583758 -------------------------- Born effective charges -------------------------- 1 Ba 2.6166536 0.0000000 0.0488202 0.0000000 2.8098281 0.0000000 0.1117379 0.0000000 2.7077981 2 Y 3.7886308 0.0000000 -0.0737191 0.0000000 3.8347571 0.0000000 -0.1262014 0.0000000 3.5453885 3 Y 3.7886308 0.0000000 -0.0737191 0.0000000 3.8347571 0.0000000 -0.1262014 0.0000000 3.5453885 4 F -1.6221454 -0.0448917 0.0784643 -0.0766005 -1.2301528 -0.0363700 0.0602639 -0.0505133 -0.9665324 5 F -1.6221454 0.0448917 0.0784643 0.0766005 -1.2301528 0.0363700 0.0602639 0.0505133 -0.9665324 6 F -1.0870200 0.0000000 -0.2882818 0.0000000 -1.6389532 0.0000000 -0.2640668 0.0000000 -1.0227899 7 F -0.7656468 0.0000000 0.1806622 0.0000000 -1.1404123 0.0000000 0.2138716 0.0000000 -1.9434329 8 F -0.7656468 0.0000000 0.1806622 0.0000000 -1.1404123 0.0000000 0.2138716 0.0000000 -1.9434329 9 F -1.0870200 0.0000000 -0.2882818 0.0000000 -1.6389532 0.0000000 -0.2640668 0.0000000 -1.0227899 10 F -1.6221454 0.0448917 0.0784643 0.0766005 -1.2301528 0.0363700 0.0602639 0.0505133 -0.9665324 11 F -1.6221454 -0.0448917 0.0784643 -0.0766005 -1.2301528 -0.0363700 0.0602639 -0.0505133 -0.9665324 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 8628/8628 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1771 Number of blocks in projector: 1771 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: 403 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (1771, 1743), data: False |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (324, 322), data: True |-- (324, 322), data: True |-- (403, 394), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 3.121 Solver_block: 200 / 400 - Time: 3.163 Solver_block: 300 / 400 - Time: 3.154 Solver_block: 400 / 400 - Time: 3.170 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.664 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 8628/8628 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1771 Number of blocks in projector: 1771 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: 403 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (1771, 1743), data: False |-- (240, 235), data: True |-- (240, 235), data: True |-- (240, 235), data: True |-- (324, 322), data: True |-- (324, 322), data: True |-- (403, 394), 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 2026-01-09 00:50:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:50:22]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.474652325070761 -5.222758390000000 0.000000000000000 b 3.474652325070761 5.222758390000000 0.000000000000000 c -0.719677419493675 0.000000000000000 4.188467503018712 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 2 Y 0.67607919570506 0.32392080429494 0.00000000000000 88.906 3 Y 0.32392080429494 0.67607919570506 0.00000000000000 88.906 4 F 0.32679118940900 0.04709554101443 0.06240054886242 18.998 5 F 0.04709554101443 0.32679118940900 0.06240054886242 18.998 6 F 0.39138348523171 0.39138348523171 0.72245670381238 18.998 7 F 0.25918930385088 0.74081069614912 0.50000000000000 18.998 8 F 0.74081069614912 0.25918930385088 0.50000000000000 18.998 9 F 0.60861651476829 0.60861651476829 0.27754329618762 18.998 10 F 0.95290445898557 0.67320881059100 0.93759945113758 18.998 11 F 0.67320881059100 0.95290445898557 0.93759945113758 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.898609300283043 0.000000000000000 0.000000000000000 b 0.000000000000000 10.445516780000000 0.000000000000000 c -2.159032258481025 0.000000000000000 12.565402509056137 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.16666666666667 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.16666666666667 137.327 > 1 3 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 1 4 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 1 5 Ba 0.00000000000000 0.00000000000000 0.83333333333333 137.327 > 1 6 Ba 0.50000000000000 0.00000000000000 0.83333333333333 137.327 > 1 7 Ba 0.25000000000000 0.50000000000000 0.16666666666667 137.327 > 1 8 Ba 0.75000000000000 0.50000000000000 0.16666666666667 137.327 > 1 9 Ba 0.25000000000000 0.50000000000000 0.50000000000000 137.327 > 1 10 Ba 0.75000000000000 0.50000000000000 0.50000000000000 137.327 > 1 11 Ba 0.25000000000000 0.50000000000000 0.83333333333333 137.327 > 1 12 Ba 0.75000000000000 0.50000000000000 0.83333333333333 137.327 > 1 13 Y 0.25000000000000 0.82392080429494 0.00000000000000 88.906 > 13 14 Y 0.75000000000000 0.82392080429494 0.00000000000000 88.906 > 13 15 Y 0.25000000000000 0.82392080429494 0.33333333333333 88.906 > 13 16 Y 0.75000000000000 0.82392080429494 0.33333333333333 88.906 > 13 17 Y 0.25000000000000 0.82392080429494 0.66666666666667 88.906 > 13 18 Y 0.75000000000000 0.82392080429494 0.66666666666667 88.906 > 13 19 Y 0.25000000000000 0.17607919570506 0.00000000000000 88.906 > 19 20 Y 0.75000000000000 0.17607919570506 0.00000000000000 88.906 > 19 21 Y 0.25000000000000 0.17607919570506 0.33333333333333 88.906 > 19 22 Y 0.75000000000000 0.17607919570506 0.33333333333333 88.906 > 19 23 Y 0.25000000000000 0.17607919570506 0.66666666666667 88.906 > 19 24 Y 0.75000000000000 0.17607919570506 0.66666666666667 88.906 > 19 25 Y 0.00000000000000 0.32392080429494 0.00000000000000 88.906 > 13 26 Y 0.50000000000000 0.32392080429494 0.00000000000000 88.906 > 13 27 Y 0.00000000000000 0.32392080429494 0.33333333333333 88.906 > 13 28 Y 0.50000000000000 0.32392080429494 0.33333333333333 88.906 > 13 29 Y 0.00000000000000 0.32392080429494 0.66666666666667 88.906 > 13 30 Y 0.50000000000000 0.32392080429494 0.66666666666667 88.906 > 13 31 Y 0.00000000000000 0.67607919570506 0.00000000000000 88.906 > 19 32 Y 0.50000000000000 0.67607919570506 0.00000000000000 88.906 > 19 33 Y 0.00000000000000 0.67607919570506 0.33333333333333 88.906 > 19 34 Y 0.50000000000000 0.67607919570506 0.33333333333333 88.906 > 19 35 Y 0.00000000000000 0.67607919570506 0.66666666666667 88.906 > 19 36 Y 0.50000000000000 0.67607919570506 0.66666666666667 88.906 > 19 37 F 0.09347168260586 0.86015217580272 0.02080018295414 18.998 > 37 38 F 0.59347168260586 0.86015217580272 0.02080018295414 18.998 > 37 39 F 0.09347168260586 0.86015217580272 0.35413351628747 18.998 > 37 40 F 0.59347168260586 0.86015217580272 0.35413351628747 18.998 > 37 41 F 0.09347168260586 0.86015217580272 0.68746684962081 18.998 > 37 42 F 0.59347168260586 0.86015217580272 0.68746684962081 18.998 > 37 43 F 0.09347168260586 0.13984782419728 0.02080018295414 18.998 > 43 44 F 0.59347168260586 0.13984782419728 0.02080018295414 18.998 > 43 45 F 0.09347168260586 0.13984782419728 0.35413351628747 18.998 > 43 46 F 0.59347168260586 0.13984782419728 0.35413351628747 18.998 > 43 47 F 0.09347168260586 0.13984782419728 0.68746684962081 18.998 > 43 48 F 0.59347168260586 0.13984782419728 0.68746684962081 18.998 > 43 49 F 0.19569174261586 0.00000000000000 0.24081890127079 18.998 > 49 50 F 0.69569174261586 0.00000000000000 0.24081890127079 18.998 > 49 51 F 0.19569174261586 0.00000000000000 0.57415223460413 18.998 > 49 52 F 0.69569174261586 0.00000000000000 0.57415223460413 18.998 > 49 53 F 0.19569174261586 0.00000000000000 0.90748556793746 18.998 > 49 54 F 0.69569174261586 0.00000000000000 0.90748556793746 18.998 > 49 55 F 0.25000000000000 0.24081069614912 0.16666666666667 18.998 > 55 56 F 0.75000000000000 0.24081069614912 0.16666666666667 18.998 > 55 57 F 0.25000000000000 0.24081069614912 0.50000000000000 18.998 > 55 58 F 0.75000000000000 0.24081069614912 0.50000000000000 18.998 > 55 59 F 0.25000000000000 0.24081069614912 0.83333333333333 18.998 > 55 60 F 0.75000000000000 0.24081069614912 0.83333333333333 18.998 > 55 61 F 0.25000000000000 0.75918930385088 0.16666666666667 18.998 > 61 62 F 0.75000000000000 0.75918930385088 0.16666666666667 18.998 > 61 63 F 0.25000000000000 0.75918930385088 0.50000000000000 18.998 > 61 64 F 0.75000000000000 0.75918930385088 0.50000000000000 18.998 > 61 65 F 0.25000000000000 0.75918930385088 0.83333333333333 18.998 > 61 66 F 0.75000000000000 0.75918930385088 0.83333333333333 18.998 > 61 67 F 0.30430825738414 0.00000000000000 0.09251443206254 18.998 > 67 68 F 0.80430825738414 0.00000000000000 0.09251443206254 18.998 > 67 69 F 0.30430825738414 0.00000000000000 0.42584776539587 18.998 > 67 70 F 0.80430825738414 0.00000000000000 0.42584776539587 18.998 > 67 71 F 0.30430825738414 0.00000000000000 0.75918109872921 18.998 > 67 72 F 0.80430825738414 0.00000000000000 0.75918109872921 18.998 > 67 73 F 0.40652831739414 0.86015217580272 0.31253315037919 18.998 > 73 74 F 0.90652831739414 0.86015217580272 0.31253315037919 18.998 > 73 75 F 0.40652831739414 0.86015217580272 0.64586648371253 18.998 > 73 76 F 0.90652831739414 0.86015217580272 0.64586648371253 18.998 > 73 77 F 0.40652831739414 0.86015217580272 0.97919981704586 18.998 > 73 78 F 0.90652831739414 0.86015217580272 0.97919981704586 18.998 > 73 79 F 0.40652831739414 0.13984782419728 0.31253315037919 18.998 > 79 80 F 0.90652831739414 0.13984782419728 0.31253315037919 18.998 > 79 81 F 0.40652831739414 0.13984782419728 0.64586648371253 18.998 > 79 82 F 0.90652831739414 0.13984782419728 0.64586648371253 18.998 > 79 83 F 0.40652831739414 0.13984782419728 0.97919981704586 18.998 > 79 84 F 0.90652831739414 0.13984782419728 0.97919981704586 18.998 > 79 85 F 0.34347168260586 0.36015217580272 0.02080018295414 18.998 > 37 86 F 0.84347168260586 0.36015217580272 0.02080018295414 18.998 > 37 87 F 0.34347168260586 0.36015217580272 0.35413351628747 18.998 > 37 88 F 0.84347168260586 0.36015217580272 0.35413351628747 18.998 > 37 89 F 0.34347168260586 0.36015217580272 0.68746684962081 18.998 > 37 90 F 0.84347168260586 0.36015217580272 0.68746684962081 18.998 > 37 91 F 0.34347168260586 0.63984782419728 0.02080018295414 18.998 > 43 92 F 0.84347168260586 0.63984782419728 0.02080018295414 18.998 > 43 93 F 0.34347168260586 0.63984782419728 0.35413351628747 18.998 > 43 94 F 0.84347168260586 0.63984782419728 0.35413351628747 18.998 > 43 95 F 0.34347168260586 0.63984782419728 0.68746684962081 18.998 > 43 96 F 0.84347168260586 0.63984782419728 0.68746684962081 18.998 > 43 97 F 0.44569174261586 0.50000000000000 0.24081890127079 18.998 > 49 98 F 0.94569174261586 0.50000000000000 0.24081890127079 18.998 > 49 99 F 0.44569174261586 0.50000000000000 0.57415223460413 18.998 > 49 100 F 0.94569174261586 0.50000000000000 0.57415223460413 18.998 > 49 101 F 0.44569174261586 0.50000000000000 0.90748556793746 18.998 > 49 102 F 0.94569174261586 0.50000000000000 0.90748556793746 18.998 > 49 103 F 0.00000000000000 0.74081069614912 0.16666666666667 18.998 > 55 104 F 0.50000000000000 0.74081069614912 0.16666666666667 18.998 > 55 105 F 0.00000000000000 0.74081069614912 0.50000000000000 18.998 > 55 106 F 0.50000000000000 0.74081069614912 0.50000000000000 18.998 > 55 107 F 0.00000000000000 0.74081069614912 0.83333333333333 18.998 > 55 108 F 0.50000000000000 0.74081069614912 0.83333333333333 18.998 > 55 109 F 0.00000000000000 0.25918930385088 0.16666666666667 18.998 > 61 110 F 0.50000000000000 0.25918930385088 0.16666666666667 18.998 > 61 111 F 0.00000000000000 0.25918930385088 0.50000000000000 18.998 > 61 112 F 0.50000000000000 0.25918930385088 0.50000000000000 18.998 > 61 113 F 0.00000000000000 0.25918930385088 0.83333333333333 18.998 > 61 114 F 0.50000000000000 0.25918930385088 0.83333333333333 18.998 > 61 115 F 0.05430825738414 0.50000000000000 0.09251443206254 18.998 > 67 116 F 0.55430825738414 0.50000000000000 0.09251443206254 18.998 > 67 117 F 0.05430825738414 0.50000000000000 0.42584776539587 18.998 > 67 118 F 0.55430825738414 0.50000000000000 0.42584776539587 18.998 > 67 119 F 0.05430825738414 0.50000000000000 0.75918109872921 18.998 > 67 120 F 0.55430825738414 0.50000000000000 0.75918109872921 18.998 > 67 121 F 0.15652831739414 0.36015217580272 0.31253315037919 18.998 > 73 122 F 0.65652831739414 0.36015217580272 0.31253315037919 18.998 > 73 123 F 0.15652831739414 0.36015217580272 0.64586648371253 18.998 > 73 124 F 0.65652831739414 0.36015217580272 0.64586648371253 18.998 > 73 125 F 0.15652831739414 0.36015217580272 0.97919981704586 18.998 > 73 126 F 0.65652831739414 0.36015217580272 0.97919981704586 18.998 > 73 127 F 0.15652831739414 0.63984782419728 0.31253315037919 18.998 > 79 128 F 0.65652831739414 0.63984782419728 0.31253315037919 18.998 > 79 129 F 0.15652831739414 0.63984782419728 0.64586648371253 18.998 > 79 130 F 0.65652831739414 0.63984782419728 0.64586648371253 18.998 > 79 131 F 0.15652831739414 0.63984782419728 0.97919981704586 18.998 > 79 132 F 0.65652831739414 0.63984782419728 0.97919981704586 18.998 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5993823 0.0000000 -0.0109517 0.0000000 2.6524855 0.0000000 -0.0109515 0.0000000 2.5583758 -------------------------- Born effective charges -------------------------- 1 Ba 2.6166536 0.0000000 0.0488202 0.0000000 2.8098281 0.0000000 0.1117379 0.0000000 2.7077981 2 Y 3.7886308 0.0000000 -0.0737191 0.0000000 3.8347571 0.0000000 -0.1262014 0.0000000 3.5453885 3 Y 3.7886308 0.0000000 -0.0737191 0.0000000 3.8347571 0.0000000 -0.1262014 0.0000000 3.5453885 4 F -1.6221454 -0.0448917 0.0784643 -0.0766005 -1.2301528 -0.0363700 0.0602639 -0.0505133 -0.9665324 5 F -1.6221454 0.0448917 0.0784643 0.0766005 -1.2301528 0.0363700 0.0602639 0.0505133 -0.9665324 6 F -1.0870200 0.0000000 -0.2882818 0.0000000 -1.6389532 0.0000000 -0.2640668 0.0000000 -1.0227899 7 F -0.7656468 0.0000000 0.1806622 0.0000000 -1.1404123 0.0000000 0.2138716 0.0000000 -1.9434329 8 F -0.7656468 0.0000000 0.1806622 0.0000000 -1.1404123 0.0000000 0.2138716 0.0000000 -1.9434329 9 F -1.0870200 0.0000000 -0.2882818 0.0000000 -1.6389532 0.0000000 -0.2640668 0.0000000 -1.0227899 10 F -1.6221454 0.0448917 0.0784643 0.0766005 -1.2301528 0.0363700 0.0602639 0.0505133 -0.9665324 11 F -1.6221454 -0.0448917 0.0784643 -0.0766005 -1.2301528 -0.0363700 0.0602639 -0.0505133 -0.9665324 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 37, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 55, 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] [-0.0017 0.0000 0.0099] [ 0.0017 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: -0.00000000 (zx) -0.00000000 (zx) 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 2026-01-09 00:50:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:50:44]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.474652325070761 -5.222758390000000 0.000000000000000 b 3.474652325070761 5.222758390000000 0.000000000000000 c -0.719677419493675 0.000000000000000 4.188467503018712 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 2 Y 0.67607919570506 0.32392080429494 0.00000000000000 88.906 3 Y 0.32392080429494 0.67607919570506 0.00000000000000 88.906 4 F 0.32679118940900 0.04709554101443 0.06240054886242 18.998 5 F 0.04709554101443 0.32679118940900 0.06240054886242 18.998 6 F 0.39138348523171 0.39138348523171 0.72245670381238 18.998 7 F 0.25918930385088 0.74081069614912 0.50000000000000 18.998 8 F 0.74081069614912 0.25918930385088 0.50000000000000 18.998 9 F 0.60861651476829 0.60861651476829 0.27754329618762 18.998 10 F 0.95290445898557 0.67320881059100 0.93759945113758 18.998 11 F 0.67320881059100 0.95290445898557 0.93759945113758 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.898609300283043 0.000000000000000 0.000000000000000 b 0.000000000000000 10.445516780000000 0.000000000000000 c -2.159032258481025 0.000000000000000 12.565402509056137 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.16666666666667 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.16666666666667 137.327 > 1 3 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 1 4 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 1 5 Ba 0.00000000000000 0.00000000000000 0.83333333333333 137.327 > 1 6 Ba 0.50000000000000 0.00000000000000 0.83333333333333 137.327 > 1 7 Ba 0.25000000000000 0.50000000000000 0.16666666666667 137.327 > 1 8 Ba 0.75000000000000 0.50000000000000 0.16666666666667 137.327 > 1 9 Ba 0.25000000000000 0.50000000000000 0.50000000000000 137.327 > 1 10 Ba 0.75000000000000 0.50000000000000 0.50000000000000 137.327 > 1 11 Ba 0.25000000000000 0.50000000000000 0.83333333333333 137.327 > 1 12 Ba 0.75000000000000 0.50000000000000 0.83333333333333 137.327 > 1 13 Y 0.25000000000000 0.82392080429494 0.00000000000000 88.906 > 13 14 Y 0.75000000000000 0.82392080429494 0.00000000000000 88.906 > 13 15 Y 0.25000000000000 0.82392080429494 0.33333333333333 88.906 > 13 16 Y 0.75000000000000 0.82392080429494 0.33333333333333 88.906 > 13 17 Y 0.25000000000000 0.82392080429494 0.66666666666667 88.906 > 13 18 Y 0.75000000000000 0.82392080429494 0.66666666666667 88.906 > 13 19 Y 0.25000000000000 0.17607919570506 0.00000000000000 88.906 > 19 20 Y 0.75000000000000 0.17607919570506 0.00000000000000 88.906 > 19 21 Y 0.25000000000000 0.17607919570506 0.33333333333333 88.906 > 19 22 Y 0.75000000000000 0.17607919570506 0.33333333333333 88.906 > 19 23 Y 0.25000000000000 0.17607919570506 0.66666666666667 88.906 > 19 24 Y 0.75000000000000 0.17607919570506 0.66666666666667 88.906 > 19 25 Y 0.00000000000000 0.32392080429494 0.00000000000000 88.906 > 13 26 Y 0.50000000000000 0.32392080429494 0.00000000000000 88.906 > 13 27 Y 0.00000000000000 0.32392080429494 0.33333333333333 88.906 > 13 28 Y 0.50000000000000 0.32392080429494 0.33333333333333 88.906 > 13 29 Y 0.00000000000000 0.32392080429494 0.66666666666667 88.906 > 13 30 Y 0.50000000000000 0.32392080429494 0.66666666666667 88.906 > 13 31 Y 0.00000000000000 0.67607919570506 0.00000000000000 88.906 > 19 32 Y 0.50000000000000 0.67607919570506 0.00000000000000 88.906 > 19 33 Y 0.00000000000000 0.67607919570506 0.33333333333333 88.906 > 19 34 Y 0.50000000000000 0.67607919570506 0.33333333333333 88.906 > 19 35 Y 0.00000000000000 0.67607919570506 0.66666666666667 88.906 > 19 36 Y 0.50000000000000 0.67607919570506 0.66666666666667 88.906 > 19 37 F 0.09347168260586 0.86015217580272 0.02080018295414 18.998 > 37 38 F 0.59347168260586 0.86015217580272 0.02080018295414 18.998 > 37 39 F 0.09347168260586 0.86015217580272 0.35413351628747 18.998 > 37 40 F 0.59347168260586 0.86015217580272 0.35413351628747 18.998 > 37 41 F 0.09347168260586 0.86015217580272 0.68746684962081 18.998 > 37 42 F 0.59347168260586 0.86015217580272 0.68746684962081 18.998 > 37 43 F 0.09347168260586 0.13984782419728 0.02080018295414 18.998 > 43 44 F 0.59347168260586 0.13984782419728 0.02080018295414 18.998 > 43 45 F 0.09347168260586 0.13984782419728 0.35413351628747 18.998 > 43 46 F 0.59347168260586 0.13984782419728 0.35413351628747 18.998 > 43 47 F 0.09347168260586 0.13984782419728 0.68746684962081 18.998 > 43 48 F 0.59347168260586 0.13984782419728 0.68746684962081 18.998 > 43 49 F 0.19569174261586 0.00000000000000 0.24081890127079 18.998 > 49 50 F 0.69569174261586 0.00000000000000 0.24081890127079 18.998 > 49 51 F 0.19569174261586 0.00000000000000 0.57415223460413 18.998 > 49 52 F 0.69569174261586 0.00000000000000 0.57415223460413 18.998 > 49 53 F 0.19569174261586 0.00000000000000 0.90748556793746 18.998 > 49 54 F 0.69569174261586 0.00000000000000 0.90748556793746 18.998 > 49 55 F 0.25000000000000 0.24081069614912 0.16666666666667 18.998 > 55 56 F 0.75000000000000 0.24081069614912 0.16666666666667 18.998 > 55 57 F 0.25000000000000 0.24081069614912 0.50000000000000 18.998 > 55 58 F 0.75000000000000 0.24081069614912 0.50000000000000 18.998 > 55 59 F 0.25000000000000 0.24081069614912 0.83333333333333 18.998 > 55 60 F 0.75000000000000 0.24081069614912 0.83333333333333 18.998 > 55 61 F 0.25000000000000 0.75918930385088 0.16666666666667 18.998 > 61 62 F 0.75000000000000 0.75918930385088 0.16666666666667 18.998 > 61 63 F 0.25000000000000 0.75918930385088 0.50000000000000 18.998 > 61 64 F 0.75000000000000 0.75918930385088 0.50000000000000 18.998 > 61 65 F 0.25000000000000 0.75918930385088 0.83333333333333 18.998 > 61 66 F 0.75000000000000 0.75918930385088 0.83333333333333 18.998 > 61 67 F 0.30430825738414 0.00000000000000 0.09251443206254 18.998 > 67 68 F 0.80430825738414 0.00000000000000 0.09251443206254 18.998 > 67 69 F 0.30430825738414 0.00000000000000 0.42584776539587 18.998 > 67 70 F 0.80430825738414 0.00000000000000 0.42584776539587 18.998 > 67 71 F 0.30430825738414 0.00000000000000 0.75918109872921 18.998 > 67 72 F 0.80430825738414 0.00000000000000 0.75918109872921 18.998 > 67 73 F 0.40652831739414 0.86015217580272 0.31253315037919 18.998 > 73 74 F 0.90652831739414 0.86015217580272 0.31253315037919 18.998 > 73 75 F 0.40652831739414 0.86015217580272 0.64586648371253 18.998 > 73 76 F 0.90652831739414 0.86015217580272 0.64586648371253 18.998 > 73 77 F 0.40652831739414 0.86015217580272 0.97919981704586 18.998 > 73 78 F 0.90652831739414 0.86015217580272 0.97919981704586 18.998 > 73 79 F 0.40652831739414 0.13984782419728 0.31253315037919 18.998 > 79 80 F 0.90652831739414 0.13984782419728 0.31253315037919 18.998 > 79 81 F 0.40652831739414 0.13984782419728 0.64586648371253 18.998 > 79 82 F 0.90652831739414 0.13984782419728 0.64586648371253 18.998 > 79 83 F 0.40652831739414 0.13984782419728 0.97919981704586 18.998 > 79 84 F 0.90652831739414 0.13984782419728 0.97919981704586 18.998 > 79 85 F 0.34347168260586 0.36015217580272 0.02080018295414 18.998 > 37 86 F 0.84347168260586 0.36015217580272 0.02080018295414 18.998 > 37 87 F 0.34347168260586 0.36015217580272 0.35413351628747 18.998 > 37 88 F 0.84347168260586 0.36015217580272 0.35413351628747 18.998 > 37 89 F 0.34347168260586 0.36015217580272 0.68746684962081 18.998 > 37 90 F 0.84347168260586 0.36015217580272 0.68746684962081 18.998 > 37 91 F 0.34347168260586 0.63984782419728 0.02080018295414 18.998 > 43 92 F 0.84347168260586 0.63984782419728 0.02080018295414 18.998 > 43 93 F 0.34347168260586 0.63984782419728 0.35413351628747 18.998 > 43 94 F 0.84347168260586 0.63984782419728 0.35413351628747 18.998 > 43 95 F 0.34347168260586 0.63984782419728 0.68746684962081 18.998 > 43 96 F 0.84347168260586 0.63984782419728 0.68746684962081 18.998 > 43 97 F 0.44569174261586 0.50000000000000 0.24081890127079 18.998 > 49 98 F 0.94569174261586 0.50000000000000 0.24081890127079 18.998 > 49 99 F 0.44569174261586 0.50000000000000 0.57415223460413 18.998 > 49 100 F 0.94569174261586 0.50000000000000 0.57415223460413 18.998 > 49 101 F 0.44569174261586 0.50000000000000 0.90748556793746 18.998 > 49 102 F 0.94569174261586 0.50000000000000 0.90748556793746 18.998 > 49 103 F 0.00000000000000 0.74081069614912 0.16666666666667 18.998 > 55 104 F 0.50000000000000 0.74081069614912 0.16666666666667 18.998 > 55 105 F 0.00000000000000 0.74081069614912 0.50000000000000 18.998 > 55 106 F 0.50000000000000 0.74081069614912 0.50000000000000 18.998 > 55 107 F 0.00000000000000 0.74081069614912 0.83333333333333 18.998 > 55 108 F 0.50000000000000 0.74081069614912 0.83333333333333 18.998 > 55 109 F 0.00000000000000 0.25918930385088 0.16666666666667 18.998 > 61 110 F 0.50000000000000 0.25918930385088 0.16666666666667 18.998 > 61 111 F 0.00000000000000 0.25918930385088 0.50000000000000 18.998 > 61 112 F 0.50000000000000 0.25918930385088 0.50000000000000 18.998 > 61 113 F 0.00000000000000 0.25918930385088 0.83333333333333 18.998 > 61 114 F 0.50000000000000 0.25918930385088 0.83333333333333 18.998 > 61 115 F 0.05430825738414 0.50000000000000 0.09251443206254 18.998 > 67 116 F 0.55430825738414 0.50000000000000 0.09251443206254 18.998 > 67 117 F 0.05430825738414 0.50000000000000 0.42584776539587 18.998 > 67 118 F 0.55430825738414 0.50000000000000 0.42584776539587 18.998 > 67 119 F 0.05430825738414 0.50000000000000 0.75918109872921 18.998 > 67 120 F 0.55430825738414 0.50000000000000 0.75918109872921 18.998 > 67 121 F 0.15652831739414 0.36015217580272 0.31253315037919 18.998 > 73 122 F 0.65652831739414 0.36015217580272 0.31253315037919 18.998 > 73 123 F 0.15652831739414 0.36015217580272 0.64586648371253 18.998 > 73 124 F 0.65652831739414 0.36015217580272 0.64586648371253 18.998 > 73 125 F 0.15652831739414 0.36015217580272 0.97919981704586 18.998 > 73 126 F 0.65652831739414 0.36015217580272 0.97919981704586 18.998 > 73 127 F 0.15652831739414 0.63984782419728 0.31253315037919 18.998 > 79 128 F 0.65652831739414 0.63984782419728 0.31253315037919 18.998 > 79 129 F 0.15652831739414 0.63984782419728 0.64586648371253 18.998 > 79 130 F 0.65652831739414 0.63984782419728 0.64586648371253 18.998 > 79 131 F 0.15652831739414 0.63984782419728 0.97919981704586 18.998 > 79 132 F 0.65652831739414 0.63984782419728 0.97919981704586 18.998 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5993823 0.0000000 -0.0109517 0.0000000 2.6524855 0.0000000 -0.0109515 0.0000000 2.5583758 -------------------------- Born effective charges -------------------------- 1 Ba 2.6166536 0.0000000 0.0488202 0.0000000 2.8098281 0.0000000 0.1117379 0.0000000 2.7077981 2 Y 3.7886308 0.0000000 -0.0737191 0.0000000 3.8347571 0.0000000 -0.1262014 0.0000000 3.5453885 3 Y 3.7886308 0.0000000 -0.0737191 0.0000000 3.8347571 0.0000000 -0.1262014 0.0000000 3.5453885 4 F -1.6221454 -0.0448917 0.0784643 -0.0766005 -1.2301528 -0.0363700 0.0602639 -0.0505133 -0.9665324 5 F -1.6221454 0.0448917 0.0784643 0.0766005 -1.2301528 0.0363700 0.0602639 0.0505133 -0.9665324 6 F -1.0870200 0.0000000 -0.2882818 0.0000000 -1.6389532 0.0000000 -0.2640668 0.0000000 -1.0227899 7 F -0.7656468 0.0000000 0.1806622 0.0000000 -1.1404123 0.0000000 0.2138716 0.0000000 -1.9434329 8 F -0.7656468 0.0000000 0.1806622 0.0000000 -1.1404123 0.0000000 0.2138716 0.0000000 -1.9434329 9 F -1.0870200 0.0000000 -0.2882818 0.0000000 -1.6389532 0.0000000 -0.2640668 0.0000000 -1.0227899 10 F -1.6221454 0.0448917 0.0784643 0.0766005 -1.2301528 0.0363700 0.0602639 0.0505133 -0.9665324 11 F -1.6221454 -0.0448917 0.0784643 -0.0766005 -1.2301528 -0.0363700 0.0602639 -0.0505133 -0.9665324 ---------------------------------------------------------------------------- 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 ... [ 9 9 12 ] 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: 0.78, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/275) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 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 2.203 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.749 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 9.046 ( 0.000 0.000 0.000) 0.000 9.528 ( 0.000 0.000 0.000) 0.000 9.677 ( 0.000 0.000 0.000) 0.000 9.900 ( 0.000 0.000 0.000) 0.000 9.977 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 11.084 ( 0.000 0.000 0.000) 0.000 11.773 ( 0.000 0.000 0.000) 0.000 11.798 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/275) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 20.068 -13.681 8.165) 25.623 0.621 ( 14.249 -37.180 -2.762) 39.913 0.999 ( 52.583 -10.908 1.331) 53.719 2.208 ( 0.867 0.559 1.586) 1.892 3.170 ( -1.422 1.346 1.850) 2.694 3.270 ( -0.311 -1.049 -4.400) 4.534 3.598 ( 6.468 18.674 6.330) 20.751 4.081 ( -9.862 -4.421 -2.968) 11.208 4.543 ( -6.523 3.790 21.979) 23.238 5.053 ( 0.029 0.800 1.829) 1.996 5.612 ( 1.258 9.773 2.564) 10.182 5.764 ( -1.947 -3.117 -1.573) 3.998 5.794 ( 6.093 2.516 -19.049) 20.158 6.260 ( 1.964 2.786 -7.368) 8.119 6.813 ( 4.753 4.925 9.356) 11.593 7.149 ( 7.250 0.480 -1.305) 7.382 7.349 ( -7.595 3.752 9.726) 12.898 7.543 ( 1.696 5.554 -5.007) 7.668 7.686 ( 0.791 -2.388 -5.292) 5.859 8.028 ( -3.971 -12.866 -8.840) 16.107 8.144 ( 1.503 6.100 5.254) 8.189 9.035 ( -2.477 -1.954 -4.450) 5.455 9.296 ( -1.959 4.255 16.499) 17.151 9.596 ( -7.899 -8.720 6.028) 13.220 9.834 ( -0.683 -4.363 5.092) 6.740 10.094 ( 12.831 2.527 -4.908) 13.968 10.579 ( 3.387 -2.365 1.829) 4.518 11.089 ( -2.326 -4.974 -1.786) 5.775 11.779 ( -0.326 0.033 -5.339) 5.349 11.783 ( 0.746 -0.363 -5.119) 5.186 12.381 ( -6.900 -2.690 6.417) 9.799 13.131 ( 13.855 25.281 -5.998) 29.446 13.936 ( -8.899 -17.416 -17.647) 26.342 ======================= Grid point 2 (3/275) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 18.734 -12.054 5.620) 22.975 1.225 ( 13.205 -35.812 -1.997) 38.221 1.849 ( 37.584 -4.399 3.410) 37.994 2.258 ( 7.270 -1.930 1.743) 7.721 3.057 ( -7.729 3.228 -0.098) 8.377 3.329 ( 3.644 -3.558 -4.167) 6.580 3.492 ( 0.020 10.860 -1.433) 10.954 3.919 ( -4.797 9.399 -3.259) 11.044 4.429 ( -9.720 2.252 16.048) 18.897 5.048 ( -0.895 0.547 3.660) 3.807 5.534 ( -5.567 4.030 7.657) 10.289 5.709 ( -1.372 -0.950 -5.477) 5.725 5.878 ( 9.571 0.371 -13.758) 16.764 6.212 ( 2.036 7.530 -10.898) 13.402 6.861 ( 5.491 5.639 1.625) 8.037 7.235 ( -4.012 1.326 10.723) 11.525 7.263 ( -0.931 -4.632 1.270) 4.892 7.464 ( 1.308 11.038 -6.980) 13.125 7.676 ( -3.924 -5.469 6.090) 9.077 8.032 ( -7.777 -7.413 -4.133) 11.512 8.203 ( 9.746 0.278 -1.670) 9.892 8.985 ( -3.531 -0.643 -3.349) 4.909 9.331 ( 7.841 5.967 7.315) 12.272 9.470 ( -9.843 2.986 6.930) 12.403 9.958 ( 0.608 -10.544 2.838) 10.937 10.295 ( 16.810 2.313 -2.565) 17.161 10.691 ( 5.915 -2.000 5.384) 8.245 11.106 ( -4.859 -10.421 -4.244) 12.256 11.724 ( -2.773 -0.601 -14.473) 14.749 11.807 ( 2.142 -0.192 -1.132) 2.430 12.299 ( -10.783 -4.409 12.417) 17.027 13.033 ( 3.632 16.585 -4.244) 17.501 13.929 ( -2.368 -4.879 -7.951) 9.624 ======================= Grid point 3 (4/275) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 15.278 -9.223 1.639) 17.921 1.774 ( 9.228 -31.862 0.001) 33.171 2.149 ( 9.459 5.297 8.250) 13.624 2.564 ( 13.235 -3.973 -0.956) 13.852 2.911 ( -6.871 -1.218 -5.117) 8.653 3.313 ( -3.265 11.272 0.992) 11.777 3.436 ( 4.339 2.187 -6.371) 8.012 3.813 ( 8.622 7.833 -3.511) 12.166 4.302 ( -8.233 -0.089 13.383) 15.713 5.026 ( -3.400 -0.472 2.518) 4.257 5.346 ( -12.956 3.621 3.394) 13.874 5.783 ( 6.940 -2.655 4.970) 8.940 5.980 ( 8.016 2.003 -13.386) 15.731 6.131 ( 2.855 6.854 -11.207) 13.443 6.865 ( 2.100 4.303 -3.514) 5.939 7.145 ( -14.325 0.652 10.112) 17.546 7.220 ( -4.379 -3.135 5.768) 7.891 7.392 ( 4.556 7.705 -6.135) 10.852 7.754 ( 3.665 -4.727 2.839) 6.621 7.971 ( -3.976 -0.990 1.144) 4.254 8.367 ( 7.856 -5.114 -5.812) 11.030 8.928 ( -2.758 0.700 -1.045) 3.031 9.289 ( -9.608 1.683 7.007) 12.010 9.443 ( 9.769 6.189 2.519) 11.836 10.058 ( -0.018 -6.504 0.877) 6.563 10.545 ( 18.367 3.980 -0.781) 18.810 10.819 ( 5.437 0.130 9.994) 11.378 11.124 ( -8.324 -14.816 -6.706) 18.269 11.632 ( -3.852 -0.940 -15.821) 16.310 11.847 ( 2.960 -0.389 -2.232) 3.728 12.217 ( -9.538 -4.515 14.973) 18.318 12.881 ( -0.828 13.155 -3.929) 13.754 13.921 ( -0.355 -0.855 -4.010) 4.115 ======================= Grid point 4 (5/275) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 6.580 -3.897 -0.999) 7.713 2.060 ( -0.097 -6.741 4.033) 7.856 2.390 ( 14.614 -9.355 3.930) 17.791 2.623 ( -1.778 -0.183 0.032) 1.788 2.803 ( -9.953 -2.440 -7.768) 12.860 3.076 ( -3.087 15.351 2.042) 15.791 3.501 ( 4.849 0.404 -3.806) 6.178 3.919 ( 4.662 1.607 0.183) 4.935 4.325 ( 6.066 -2.756 5.620) 8.717 4.913 ( -10.099 0.980 -1.028) 10.198 5.168 ( -3.990 1.674 2.266) 4.884 5.934 ( 0.742 -3.986 9.146) 10.004 6.006 ( 6.940 5.008 -5.823) 10.352 6.119 ( 2.369 0.967 -10.925) 11.221 6.837 ( 0.058 0.248 -7.342) 7.346 6.937 ( -8.931 2.682 9.904) 13.603 7.224 ( -1.138 -1.771 2.594) 3.341 7.373 ( 1.199 2.401 -1.864) 3.268 7.841 ( 2.198 -0.253 0.345) 2.239 7.947 ( -1.094 -1.423 0.988) 2.049 8.504 ( 4.115 -3.139 -3.595) 6.302 8.877 ( -1.857 1.208 0.774) 2.347 9.173 ( -3.841 1.051 2.890) 4.921 9.518 ( 3.885 1.971 0.651) 4.405 10.105 ( 0.001 -2.134 0.148) 2.140 10.770 ( 15.381 5.574 -2.263) 16.516 10.887 ( -1.413 -0.263 10.151) 10.252 11.098 ( -8.562 -9.703 -5.894) 14.220 11.564 ( -1.150 -0.687 -7.301) 7.423 11.888 ( 1.823 -0.310 -1.925) 2.669 12.180 ( -3.804 -2.425 8.043) 9.222 12.742 ( -1.253 6.034 -2.164) 6.532 13.915 ( 0.035 0.050 -1.260) 1.261 ======================= Grid point 10 (6/275) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 21.133 0.000 -1.738) 21.205 0.863 ( 24.743 0.000 0.927) 24.760 1.821 ( 47.320 0.000 4.234) 47.509 2.247 ( 4.061 0.000 3.104) 5.111 3.089 ( -9.445 -0.000 -0.057) 9.445 3.285 ( 4.553 0.000 -4.667) 6.520 3.664 ( -6.693 -0.000 -2.342) 7.091 3.994 ( -0.642 -0.000 -3.417) 3.477 4.450 ( -11.701 -0.000 19.972) 23.147 5.071 ( -0.156 -0.000 5.347) 5.350 5.558 ( -13.288 -0.000 7.565) 15.291 5.703 ( 0.395 0.000 -2.972) 2.998 5.869 ( 9.159 0.000 -14.967) 17.548 6.350 ( 6.704 0.000 -21.269) 22.301 6.967 ( 6.314 0.000 9.329) 11.265 7.119 ( -10.017 -0.000 0.472) 10.029 7.349 ( 0.527 0.000 3.173) 3.216 7.431 ( -9.644 -0.000 13.086) 16.256 7.770 ( -1.100 -0.000 -11.929) 11.980 7.832 ( 9.495 0.000 -11.350) 14.798 8.285 ( 0.051 0.000 6.210) 6.211 8.969 ( -1.885 -0.000 -2.554) 3.174 9.439 ( -7.385 -0.000 6.530) 9.858 9.530 ( 11.971 0.000 9.710) 15.413 9.784 ( -0.348 -0.000 3.509) 3.527 10.332 ( 15.943 0.000 -3.272) 16.276 10.593 ( 1.787 0.000 0.490) 1.853 10.993 ( -3.680 -0.000 -0.717) 3.749 11.714 ( -1.916 -0.000 -21.784) 21.868 11.805 ( 2.002 0.000 -0.583) 2.085 12.236 ( -11.466 -0.000 18.809) 22.028 13.384 ( -2.254 -0.000 2.461) 3.337 13.743 ( 3.819 0.000 -17.010) 17.434 ======================= Grid point 11 (7/275) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 18.858 -20.424 1.347) 27.831 1.257 ( 19.871 -5.998 -2.732) 20.936 2.231 ( 6.674 2.011 7.095) 9.947 2.536 ( 23.798 0.180 0.426) 23.803 2.910 ( -11.414 0.219 -2.429) 11.672 3.351 ( 3.240 -1.504 -4.395) 5.664 3.564 ( 2.426 5.220 -5.008) 7.630 3.960 ( 1.444 3.979 -4.372) 6.086 4.316 ( -9.919 0.543 16.701) 19.432 5.065 ( -1.254 3.099 6.277) 7.112 5.334 ( -17.371 -2.911 3.231) 17.907 5.744 ( 4.318 -0.751 2.907) 5.260 5.993 ( 10.267 -0.296 -14.016) 17.377 6.338 ( 5.157 8.843 -18.883) 21.479 6.890 ( -14.208 -2.340 0.904) 14.428 7.102 ( 3.368 -1.487 4.576) 5.873 7.234 ( -8.814 5.595 6.488) 12.292 7.422 ( -6.396 -7.769 3.547) 10.670 7.761 ( 10.941 6.799 -8.079) 15.205 7.978 ( 5.221 -1.395 -4.744) 7.191 8.279 ( 0.091 -2.099 2.933) 3.607 8.938 ( -1.249 0.272 -2.036) 2.405 9.316 ( -9.207 1.421 8.885) 12.874 9.648 ( 9.489 11.479 2.802) 15.155 9.893 ( 3.879 -9.108 2.193) 10.140 10.592 ( 16.116 0.176 -0.568) 16.127 10.642 ( -2.037 -10.585 -5.058) 11.907 10.975 ( -0.383 -0.934 5.383) 5.477 11.615 ( -1.689 -0.487 -24.753) 24.815 11.842 ( 2.611 -0.136 -0.494) 2.661 12.136 ( -9.574 -2.162 23.091) 25.090 13.236 ( -2.673 15.776 0.498) 16.009 13.802 ( -0.867 -8.657 -8.610) 12.240 ======================= Grid point 12 (8/275) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 13.398 -5.388 0.327) 14.444 1.643 ( 13.038 -23.107 -0.921) 26.547 2.332 ( 7.870 1.454 4.359) 9.113 2.651 ( -3.923 2.497 -0.462) 4.673 2.742 ( -8.968 -1.925 -5.546) 10.719 3.353 ( -1.889 3.499 -2.138) 4.515 3.579 ( 6.058 9.102 -2.901) 11.312 3.979 ( 3.520 2.562 -2.110) 4.838 4.292 ( 6.358 -0.387 10.004) 11.859 4.943 ( -12.150 2.381 1.404) 12.461 5.161 ( -7.011 -2.394 4.381) 8.607 5.843 ( 2.220 -3.009 6.789) 7.751 6.097 ( 8.116 2.152 -16.995) 18.956 6.251 ( 1.953 10.234 -5.765) 11.908 6.736 ( -10.827 -8.465 -1.879) 13.871 7.006 ( -9.708 5.186 2.740) 11.343 7.198 ( 3.130 -0.505 2.576) 4.085 7.383 ( -6.027 -4.483 -1.248) 7.615 7.882 ( 11.441 3.938 -4.304) 12.842 7.969 ( -1.070 4.698 -0.329) 4.830 8.394 ( 5.747 -7.440 -2.501) 9.729 8.911 ( -0.885 1.464 0.211) 1.724 9.180 ( -8.420 0.995 9.409) 12.666 9.651 ( 4.205 9.243 -0.585) 10.171 10.038 ( 4.288 -4.310 0.609) 6.110 10.628 ( -13.695 -17.417 -7.213) 23.301 10.853 ( 11.982 3.479 -1.719) 12.595 11.029 ( 5.472 -1.863 8.913) 10.623 11.579 ( 5.910 1.525 -19.034) 19.988 11.884 ( 2.142 -0.113 0.408) 2.183 12.108 ( -4.659 -2.840 21.255) 21.944 13.008 ( -3.795 15.816 -0.967) 16.294 13.834 ( -3.377 -7.282 -4.323) 9.117 ======================= Grid point 13 (9/275) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 1.838 0.328 -0.942) 2.091 2.002 ( 3.953 -10.508 1.650) 11.347 2.510 ( 2.692 -12.473 -10.164) 16.314 2.524 ( -2.173 1.543 1.849) 3.244 2.647 ( -0.860 -0.995 -1.128) 1.732 3.220 ( -1.399 12.978 3.878) 13.617 3.517 ( -4.658 4.447 1.087) 6.531 3.937 ( -4.035 2.950 0.310) 5.008 4.404 ( -1.267 4.313 -1.801) 4.843 4.857 ( 6.996 -5.289 1.396) 8.881 5.130 ( -1.044 -0.495 1.429) 1.838 5.881 ( -3.451 -3.549 6.378) 8.073 6.047 ( -5.665 3.791 -15.961) 17.356 6.190 ( 1.284 6.667 8.205) 10.649 6.741 ( -2.115 -7.968 5.221) 9.758 6.864 ( -2.083 -2.129 -8.182) 8.707 7.249 ( 1.260 -0.903 2.393) 2.851 7.333 ( -3.231 -2.312 -6.022) 7.215 7.896 ( -1.668 3.570 -0.401) 3.961 7.991 ( 8.946 4.360 -3.876) 10.680 8.529 ( 3.076 -1.576 -0.408) 3.480 8.880 ( -0.160 1.656 1.074) 1.980 9.115 ( -2.806 -2.874 6.557) 7.690 9.578 ( -2.231 6.380 -2.973) 7.384 10.125 ( 3.374 -0.555 0.205) 3.426 10.535 ( -17.054 -15.308 -4.838) 23.422 10.861 ( -3.324 0.065 -4.368) 5.489 11.250 ( 14.328 1.471 6.728) 15.897 11.629 ( 7.957 5.173 -8.690) 12.868 11.898 ( -1.265 0.637 4.739) 4.946 12.167 ( 2.461 -2.091 12.358) 12.773 12.814 ( -0.579 10.798 -1.446) 10.910 13.836 ( -4.452 -6.970 -1.536) 8.412 ======================= Grid point 14 (10/275) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -8.528 8.659 0.335) 12.158 2.028 ( -7.122 -4.930 -8.170) 11.907 2.256 ( -12.459 10.858 -2.290) 16.685 2.685 ( 5.096 4.135 -2.479) 7.015 2.901 ( 12.722 -21.947 -2.886) 25.531 3.099 ( -0.449 15.771 10.771) 19.103 3.365 ( -10.375 -3.989 2.695) 11.437 3.761 ( -12.916 3.104 2.678) 13.551 4.339 ( 5.007 3.167 -9.308) 11.034 5.071 ( 6.298 2.521 2.012) 7.076 5.181 ( 6.005 -10.060 -4.998) 12.737 5.835 ( -9.713 1.667 -4.074) 10.664 5.892 ( -3.798 -4.413 8.020) 9.911 6.133 ( -2.767 5.349 6.746) 9.043 6.753 ( -5.226 -5.845 4.767) 9.176 6.989 ( 6.283 -10.698 -7.512) 14.503 7.259 ( -6.047 -7.090 -0.123) 9.319 7.310 ( 4.298 4.249 -6.429) 8.824 7.837 ( -0.968 3.120 -3.089) 4.496 8.070 ( 10.900 7.332 -3.765) 13.665 8.481 ( -6.012 5.625 7.344) 11.032 8.912 ( 3.855 -0.648 0.023) 3.909 9.185 ( 3.221 -6.085 1.260) 6.999 9.444 ( -4.873 4.029 -5.486) 8.371 10.163 ( 2.938 2.894 0.224) 4.130 10.396 ( -16.088 -10.132 -0.855) 19.032 10.773 ( -6.421 -1.711 -7.537) 10.048 11.399 ( 6.344 7.204 3.541) 10.232 11.667 ( 4.998 3.650 2.367) 6.626 11.859 ( -3.856 0.774 6.050) 7.216 12.265 ( 5.565 0.268 1.345) 5.732 12.788 ( 6.824 4.210 1.401) 8.139 13.843 ( -3.748 -7.460 0.930) 8.400 ======================= Grid point 15 (11/275) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -13.063 14.582 -2.770) 19.773 1.676 ( -31.025 6.192 -5.866) 32.176 2.091 ( 3.006 9.293 -3.864) 10.504 2.513 ( -9.663 27.573 3.140) 29.385 2.965 ( -1.308 -3.518 1.454) 4.025 3.273 ( 8.084 -10.972 -0.226) 13.630 3.383 ( -0.674 -4.396 3.162) 5.457 3.615 ( -4.261 -10.905 4.115) 12.410 4.406 ( 7.134 0.540 -11.486) 13.532 5.076 ( 0.965 2.785 -2.305) 3.741 5.361 ( -0.040 -10.736 -4.164) 11.515 5.726 ( -0.814 0.710 4.460) 4.589 5.886 ( -5.174 -0.271 8.553) 10.000 6.100 ( 1.753 -2.404 4.515) 5.407 6.744 ( -4.816 -5.507 1.452) 7.458 7.103 ( -10.233 -12.970 0.706) 16.536 7.262 ( 2.194 -6.471 -12.194) 13.978 7.330 ( 3.279 2.546 1.927) 4.577 7.782 ( 1.390 4.872 -6.220) 8.022 8.149 ( 4.612 6.023 -1.841) 7.806 8.350 ( 2.397 10.000 8.201) 13.153 8.986 ( 3.752 -0.268 4.485) 5.853 9.225 ( -6.366 -4.071 -6.059) 9.685 9.439 ( 11.491 -0.066 -5.823) 12.882 10.154 ( 1.947 6.915 -0.796) 7.228 10.226 ( -15.112 -4.531 2.125) 15.920 10.657 ( -8.248 -2.737 -6.557) 10.887 11.328 ( -3.747 8.207 3.240) 9.586 11.733 ( 3.813 0.519 4.014) 5.560 11.813 ( -2.474 0.368 3.195) 4.057 12.342 ( 3.855 -0.141 -1.138) 4.022 12.895 ( 8.532 2.860 3.065) 9.506 13.890 ( -0.646 -7.233 3.393) 8.015 ======================= Grid point 16 (12/275) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -14.481 17.637 -6.500) 23.728 1.008 ( -36.771 11.205 -2.408) 38.516 1.806 ( -4.567 47.976 2.357) 48.250 2.198 ( -3.050 1.099 -1.089) 3.420 3.052 ( 0.594 -9.427 -2.015) 9.658 3.310 ( -5.425 2.234 2.612) 6.423 3.410 ( 2.346 -1.973 0.168) 3.070 3.910 ( 10.626 -20.432 2.295) 23.144 4.440 ( -1.150 -1.889 -10.138) 10.377 5.058 ( 0.679 1.158 -1.613) 2.098 5.407 ( -4.598 -9.313 -1.730) 10.529 5.722 ( -6.178 -0.950 11.523) 13.110 5.845 ( 3.380 3.312 -1.662) 5.016 6.250 ( 9.462 -2.659 4.034) 10.624 6.724 ( -3.969 -4.123 -0.351) 5.734 7.002 ( -15.299 -11.182 0.207) 18.951 7.335 ( 4.729 -0.986 -12.113) 13.041 7.386 ( -0.929 -6.830 6.859) 9.725 7.760 ( 4.571 4.041 -8.130) 10.164 8.007 ( -12.356 2.925 5.421) 13.807 8.436 ( 16.535 14.899 2.741) 22.425 9.025 ( -3.181 -1.476 5.997) 6.947 9.227 ( 8.844 -3.031 -9.855) 13.584 9.646 ( 13.755 -0.186 -4.541) 14.486 9.980 ( -14.149 2.655 -0.527) 14.406 10.111 ( -0.758 6.901 1.794) 7.171 10.544 ( -8.835 -4.315 -2.410) 10.124 11.184 ( -6.370 3.303 1.895) 7.422 11.777 ( 0.839 -0.041 -1.324) 1.568 11.794 ( 0.071 0.591 3.903) 3.948 12.377 ( -0.735 -1.870 0.772) 2.153 12.974 ( 4.249 4.160 2.338) 6.390 13.999 ( 3.801 -6.025 5.138) 8.783 ======================= Grid point 17 (13/275) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.000 16.828 0.000) 16.828 0.527 ( 0.000 24.229 0.000) 24.229 1.194 ( 0.000 55.480 0.000) 55.480 2.189 ( -0.000 -1.228 -0.000) 1.228 3.136 ( -0.000 -6.217 -0.000) 6.217 3.241 ( 0.000 0.581 0.000) 0.581 3.418 ( 0.000 1.923 0.000) 1.923 4.300 ( -0.000 -20.543 -0.000) 20.543 4.342 ( 0.000 2.267 0.000) 2.267 5.060 ( 0.000 0.478 0.000) 0.478 5.434 ( -0.000 -6.814 -0.000) 6.814 5.682 ( -0.000 -1.655 -0.000) 1.655 5.847 ( 0.000 3.171 0.000) 3.171 6.357 ( 0.000 4.711 0.000) 4.711 6.720 ( -0.000 -2.567 -0.000) 2.567 6.967 ( -0.000 -11.041 -0.000) 11.041 7.389 ( -0.000 -4.254 -0.000) 4.254 7.443 ( -0.000 -3.312 -0.000) 3.312 7.771 ( 0.000 7.781 0.000) 7.781 7.846 ( -0.000 -4.404 -0.000) 4.404 8.440 ( 0.000 14.535 0.000) 14.535 9.016 ( -0.000 -2.534 -0.000) 2.534 9.428 ( -0.000 -5.894 -0.000) 5.894 9.766 ( 0.000 2.165 0.000) 2.165 9.778 ( 0.000 4.024 0.000) 4.024 10.027 ( 0.000 6.119 0.000) 6.119 10.489 ( -0.000 -4.121 -0.000) 4.121 11.100 ( 0.000 1.221 0.000) 1.221 11.774 ( 0.000 0.109 0.000) 0.109 11.802 ( 0.000 0.372 0.000) 0.372 12.380 ( -0.000 -2.264 -0.000) 2.264 12.944 ( 0.000 6.241 0.000) 6.241 14.133 ( -0.000 -6.437 -0.000) 6.437 ======================= Grid point 20 (14/275) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 21.412 0.000 0.087) 21.412 1.501 ( 13.901 0.000 -2.851) 14.191 2.355 ( 6.889 0.000 4.472) 8.213 2.698 ( -2.825 -0.000 -0.350) 2.847 2.708 ( -12.034 -0.000 -4.026) 12.689 3.361 ( 0.170 0.000 -5.429) 5.431 3.712 ( 8.414 0.000 -0.648) 8.438 3.998 ( 2.817 0.000 -4.800) 5.566 4.293 ( 4.610 0.000 12.284) 13.121 4.991 ( -21.571 -0.000 0.389) 21.575 5.109 ( 0.751 0.000 8.063) 8.098 5.815 ( 3.055 0.000 4.392) 5.350 6.115 ( 9.417 0.000 -16.932) 19.375 6.438 ( 6.919 0.000 -15.899) 17.339 6.572 ( -19.405 -0.000 8.219) 21.073 7.131 ( -11.437 -0.000 5.839) 12.842 7.216 ( 6.808 0.000 -1.854) 7.055 7.225 ( -10.143 -0.000 -1.526) 10.257 7.934 ( 7.056 0.000 -10.390) 12.559 8.103 ( 9.350 0.000 -1.030) 9.407 8.241 ( 0.558 0.000 3.211) 3.259 8.928 ( -0.069 -0.000 -0.578) 0.582 9.203 ( -9.086 -0.000 10.285) 13.724 9.843 ( 1.908 0.000 1.318) 2.319 9.920 ( 7.531 0.000 -0.464) 7.545 10.394 ( -11.773 -0.000 -9.861) 15.357 10.919 ( 19.714 0.000 -0.213) 19.715 10.974 ( -4.168 -0.000 7.144) 8.271 11.600 ( 9.145 0.000 -21.221) 23.108 11.882 ( 2.284 0.000 1.253) 2.605 12.078 ( -4.397 -0.000 24.819) 25.206 13.242 ( -7.498 -0.000 3.194) 8.150 13.699 ( -2.736 -0.000 -8.120) 8.569 ======================= Grid point 21 (15/275) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 6.351 -0.696 -2.897) 7.015 1.699 ( 16.448 -11.380 2.285) 20.132 2.407 ( -3.384 0.458 -9.563) 10.154 2.525 ( -9.030 -1.443 -5.086) 10.464 2.654 ( 3.320 0.936 8.527) 9.198 3.309 ( -5.362 -0.290 -5.491) 7.680 3.698 ( -4.083 6.682 6.251) 10.020 4.015 ( 0.779 3.291 -1.717) 3.792 4.495 ( 9.478 3.901 0.919) 10.291 4.708 ( -8.575 -6.724 -1.136) 10.956 5.149 ( 1.634 1.200 7.851) 8.108 5.841 ( -1.604 -0.483 2.579) 3.076 6.111 ( -6.320 1.757 -18.392) 19.527 6.340 ( -1.282 5.962 9.258) 11.086 6.569 ( 2.939 -6.639 0.774) 7.301 6.897 ( -9.978 5.791 -4.387) 12.343 7.107 ( -12.065 -10.440 -1.336) 16.011 7.316 ( 6.174 0.193 -4.945) 7.912 7.931 ( -2.476 0.554 -6.804) 7.262 8.176 ( 11.721 10.645 -0.636) 15.846 8.415 ( 9.011 -8.347 -1.523) 12.377 8.926 ( 0.133 1.609 2.152) 2.690 9.096 ( -6.249 0.592 9.717) 11.568 9.761 ( -3.420 10.884 -2.452) 11.669 10.027 ( -2.330 -10.761 -2.141) 11.216 10.261 ( -6.234 -6.172 -4.605) 9.908 10.878 ( -6.480 0.925 0.470) 6.562 11.220 ( 15.216 -2.006 -0.191) 15.349 11.718 ( 9.869 2.220 -13.765) 17.082 11.909 ( -0.471 0.278 5.422) 5.450 12.149 ( 5.484 0.168 22.351) 23.014 13.070 ( -5.388 9.963 0.850) 11.358 13.658 ( -6.008 -7.663 -4.842) 10.875 ======================= Grid point 22 (16/275) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -0.417 2.809 -0.768) 2.942 1.946 ( -2.333 -3.616 -1.525) 4.565 2.304 ( -7.210 -4.721 -6.049) 10.529 2.487 ( 4.145 -11.048 -6.043) 13.258 2.762 ( 6.687 4.526 2.411) 8.427 3.192 ( -8.890 -5.386 -1.257) 10.470 3.540 ( -5.125 12.045 8.895) 15.826 3.909 ( -5.388 10.537 1.983) 12.000 4.419 ( 0.531 4.046 -6.645) 7.798 4.916 ( 9.836 -11.398 -4.497) 15.712 5.169 ( 1.762 3.819 5.310) 6.773 5.813 ( -3.226 -1.363 4.591) 5.774 5.880 ( -12.591 1.056 -6.064) 14.015 6.288 ( -1.716 8.275 3.035) 8.980 6.628 ( -5.748 -5.295 7.959) 11.155 6.799 ( -0.424 -6.136 -4.880) 7.852 7.042 ( -8.966 -12.240 -8.319) 17.304 7.384 ( 5.610 2.335 -5.050) 7.901 7.869 ( -1.675 0.141 -6.018) 6.248 8.269 ( 13.820 10.625 -1.896) 17.535 8.570 ( 2.383 0.804 2.560) 3.589 8.915 ( 2.098 1.587 1.502) 3.029 9.093 ( 2.355 -2.357 5.789) 6.679 9.545 ( -9.370 5.045 -5.123) 11.811 10.075 ( -6.103 -12.174 -1.699) 13.724 10.253 ( -0.126 -0.545 0.990) 1.137 10.767 ( -5.921 0.643 -3.894) 7.115 11.418 ( 5.974 -2.433 -2.825) 7.041 11.763 ( 3.243 3.112 -5.447) 7.063 11.878 ( -5.299 0.768 10.902) 12.146 12.317 ( 10.059 4.912 13.019) 17.170 12.949 ( 4.659 8.655 -0.553) 9.845 13.640 ( -6.764 -10.469 -2.036) 12.629 ======================= Grid point 23 (17/275) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -6.927 12.419 -0.582) 14.233 1.750 ( -18.958 2.910 -7.335) 20.535 2.189 ( -5.179 2.035 -1.369) 5.731 2.757 ( -2.099 -3.350 -5.117) 6.466 2.840 ( 11.754 -24.070 -1.591) 26.833 3.185 ( -2.949 -2.106 3.579) 5.093 3.341 ( 0.997 20.308 9.513) 22.448 3.664 ( -8.668 11.880 2.128) 14.859 4.432 ( 5.395 1.463 -9.281) 10.835 5.108 ( 0.824 -5.967 -6.894) 9.154 5.173 ( 2.577 -0.522 1.611) 3.083 5.724 ( -3.601 -1.423 0.249) 3.880 5.822 ( -1.892 -3.563 9.476) 10.300 6.147 ( -4.808 5.457 0.665) 7.304 6.627 ( -3.359 -5.325 2.317) 6.709 6.810 ( -13.448 -13.820 4.568) 19.817 7.065 ( 0.497 -10.108 -13.325) 16.732 7.415 ( 3.757 3.959 -2.634) 6.060 7.847 ( 1.424 0.565 -6.838) 7.007 8.313 ( 0.246 9.338 3.926) 10.133 8.564 ( 10.342 9.554 0.783) 14.101 8.979 ( 4.455 -0.602 3.328) 5.593 9.168 ( -1.579 -0.912 -1.060) 2.109 9.434 ( 4.686 -1.375 -5.120) 7.075 10.068 ( -9.056 -8.758 -0.146) 12.599 10.262 ( 2.082 2.600 2.976) 4.466 10.642 ( -6.988 1.450 -5.838) 9.220 11.403 ( -9.175 -0.856 -2.033) 9.437 11.763 ( 2.121 1.971 0.407) 2.924 11.822 ( -3.132 0.482 7.448) 8.094 12.399 ( 5.506 6.950 4.937) 10.149 13.022 ( 11.740 6.542 1.412) 13.513 13.670 ( -3.907 -12.400 0.380) 13.007 ======================= Grid point 24 (18/275) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -21.182 15.718 -7.015) 27.293 1.317 ( -13.049 15.994 0.984) 20.666 2.141 ( -0.127 -0.510 -1.631) 1.713 2.796 ( 0.834 -4.402 -5.395) 7.012 2.889 ( -4.029 35.249 6.390) 36.050 3.295 ( 10.491 -19.756 -0.572) 22.376 3.323 ( -0.541 -4.366 2.196) 4.918 3.485 ( -4.294 -1.267 3.040) 5.411 4.451 ( 0.709 1.553 -7.102) 7.304 5.087 ( -0.886 1.011 -2.371) 2.725 5.236 ( -0.937 -6.111 -1.361) 6.330 5.734 ( -1.817 0.909 7.411) 7.684 5.878 ( 3.093 -1.326 -0.813) 3.462 6.131 ( 5.475 -6.028 3.307) 8.789 6.634 ( -2.532 -4.123 0.918) 4.924 6.713 ( -17.614 -14.984 0.937) 23.144 7.162 ( 1.205 -10.246 -8.219) 13.190 7.408 ( 1.505 4.306 -0.108) 4.563 7.858 ( 4.496 2.572 -7.783) 9.349 8.132 ( -9.466 8.904 8.333) 15.438 8.700 ( 15.804 9.958 -2.748) 18.881 9.022 ( -4.662 1.840 7.648) 9.144 9.152 ( 6.390 -4.092 -6.598) 10.055 9.628 ( 13.865 -1.969 -3.932) 14.545 9.962 ( -11.327 -2.466 1.225) 11.657 10.275 ( 2.689 4.511 2.901) 6.000 10.479 ( -9.708 0.771 -4.493) 10.725 11.217 ( -11.593 -0.460 0.715) 11.624 11.779 ( 0.813 0.248 -1.845) 2.031 11.808 ( 0.004 0.709 4.408) 4.465 12.396 ( 1.182 4.728 2.133) 5.320 13.115 ( 7.455 7.246 1.108) 10.455 13.785 ( 0.470 -13.014 1.887) 13.158 ======================= Grid point 25 (19/275) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 20.113 0.000) 20.113 1.018 ( 0.000 21.658 0.000) 21.658 2.157 ( -0.000 -1.725 -0.000) 1.725 2.345 ( 0.000 52.294 0.000) 52.294 2.925 ( -0.000 -12.523 -0.000) 12.523 3.292 ( 0.000 2.246 0.000) 2.246 3.438 ( 0.000 0.466 0.000) 0.466 3.734 ( -0.000 -30.452 -0.000) 30.452 4.403 ( 0.000 3.118 0.000) 3.118 5.073 ( 0.000 0.665 0.000) 0.665 5.286 ( -0.000 -6.406 -0.000) 6.406 5.694 ( 0.000 2.271 0.000) 2.271 5.900 ( 0.000 1.523 0.000) 1.523 6.344 ( -0.000 -6.755 -0.000) 6.755 6.649 ( -0.000 -5.246 -0.000) 5.246 6.672 ( -0.000 -13.742 -0.000) 13.742 7.272 ( -0.000 -10.619 -0.000) 10.619 7.379 ( 0.000 2.888 0.000) 2.888 7.887 ( 0.000 2.657 0.000) 2.657 7.927 ( 0.000 9.819 0.000) 9.819 8.731 ( 0.000 12.224 0.000) 12.224 8.963 ( -0.000 -1.636 -0.000) 1.636 9.305 ( -0.000 -5.839 -0.000) 5.839 9.789 ( -0.000 -1.859 -0.000) 1.859 9.827 ( 0.000 2.961 0.000) 2.961 10.231 ( 0.000 11.175 0.000) 11.175 10.378 ( -0.000 -5.597 -0.000) 5.597 11.118 ( 0.000 0.012 0.000) 0.012 11.778 ( 0.000 0.181 0.000) 0.181 11.812 ( 0.000 0.547 0.000) 0.547 12.366 ( 0.000 1.942 0.000) 1.942 13.098 ( 0.000 7.603 0.000) 7.603 13.935 ( -0.000 -11.932 -0.000) 11.932 ======================= Grid point 30 (20/275) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 2.097 0.000 -2.997) 3.658 1.873 ( 9.171 0.000 3.713) 9.894 2.256 ( -9.278 -0.000 -9.150) 13.031 2.383 ( -2.927 -0.000 -7.775) 8.307 2.837 ( 11.779 0.000 8.696) 14.642 3.110 ( -17.380 -0.000 -6.460) 18.542 3.651 ( -6.971 -0.000 8.270) 10.816 4.068 ( 2.561 0.000 2.400) 3.510 4.483 ( -3.979 -0.000 -6.164) 7.337 4.757 ( 12.332 0.000 -5.338) 13.438 5.218 ( 1.712 0.000 9.100) 9.260 5.805 ( -2.745 -0.000 1.783) 3.273 5.892 ( -14.284 -0.000 -6.947) 15.884 6.412 ( 2.768 0.000 1.456) 3.127 6.563 ( -5.942 -0.000 12.414) 13.763 6.742 ( -18.290 -0.000 -2.942) 18.525 6.856 ( 1.114 0.000 -14.347) 14.390 7.408 ( 6.147 0.000 -4.922) 7.875 7.867 ( -2.441 -0.000 -7.010) 7.422 8.466 ( 15.246 0.000 -3.734) 15.697 8.495 ( 6.988 0.000 1.466) 7.140 8.956 ( 0.820 0.000 4.812) 4.882 9.069 ( 1.501 0.000 6.004) 6.188 9.627 ( -18.986 -0.000 -7.583) 20.444 9.889 ( 0.435 0.000 0.851) 0.956 10.253 ( 2.700 0.000 1.361) 3.024 10.778 ( -5.585 -0.000 -2.750) 6.225 11.383 ( 6.199 0.000 -5.066) 8.006 11.791 ( 2.284 0.000 -6.476) 6.867 11.886 ( -5.623 -0.000 11.887) 13.150 12.390 ( 14.601 0.000 16.103) 21.737 13.071 ( -0.237 -0.000 0.045) 0.241 13.492 ( -6.920 -0.000 -4.453) 8.230 ======================= Grid point 31 (21/275) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -1.036 2.006 -2.104) 3.086 1.870 ( -7.175 7.473 -2.393) 10.632 2.147 ( -4.875 -5.490 -3.508) 8.137 2.455 ( 7.374 -9.435 -3.600) 12.504 2.732 ( -19.753 1.285 -4.268) 20.250 3.067 ( 7.542 -4.718 5.045) 10.227 3.558 ( -4.934 2.655 7.011) 8.974 4.070 ( 5.051 15.791 3.351) 16.914 4.459 ( 3.143 0.995 -8.335) 8.963 4.935 ( 7.806 -6.524 -8.770) 13.432 5.224 ( -2.092 2.035 6.182) 6.837 5.682 ( -9.475 -1.410 -1.388) 9.679 5.786 ( -0.857 -0.332 6.439) 6.504 6.289 ( -11.191 7.532 -1.870) 13.619 6.518 ( -8.586 -9.146 3.990) 13.164 6.540 ( -8.838 -5.713 0.999) 10.571 6.901 ( 3.299 -4.240 -9.529) 10.940 7.476 ( 4.500 1.536 -3.449) 5.874 7.833 ( 0.168 -0.876 -6.829) 6.887 8.504 ( -0.586 6.865 5.179) 8.619 8.703 ( 14.085 2.015 -4.613) 14.957 8.980 ( 2.793 1.432 5.030) 5.929 9.188 ( 7.160 2.302 0.603) 7.545 9.358 ( -8.216 -5.016 -4.874) 10.790 9.912 ( -2.296 -4.376 0.706) 4.992 10.293 ( 1.564 0.623 3.746) 4.107 10.682 ( -4.433 1.410 -5.227) 6.997 11.358 ( -8.953 -1.858 -4.801) 10.328 11.791 ( 0.310 0.583 -2.589) 2.672 11.831 ( -3.796 0.266 11.671) 12.275 12.592 ( 9.185 8.055 9.011) 15.181 13.113 ( 7.712 1.427 0.086) 7.844 13.429 ( -4.948 -7.735 -2.434) 9.500 ======================= Grid point 32 (22/275) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -13.975 15.644 -4.637) 21.483 1.612 ( -2.804 11.384 -0.080) 11.724 2.120 ( -2.971 -2.063 -0.702) 3.685 2.519 ( -9.089 -13.334 -3.543) 16.522 2.758 ( 6.979 -20.090 0.248) 21.270 3.222 ( 5.087 -2.608 2.420) 6.208 3.488 ( -1.552 3.508 4.825) 6.164 3.855 ( 0.277 33.875 1.058) 33.892 4.479 ( 2.084 0.908 -6.510) 6.896 5.062 ( 2.864 -3.557 -6.943) 8.310 5.175 ( -2.842 0.011 3.055) 4.172 5.688 ( 4.426 -6.970 2.044) 8.506 5.810 ( 0.444 -1.464 6.872) 7.040 6.068 ( -9.686 -1.346 -1.835) 9.950 6.412 ( -13.937 -11.456 -0.055) 18.041 6.556 ( -0.649 -2.988 0.861) 3.176 6.976 ( 1.343 -6.570 -5.158) 8.460 7.495 ( 2.033 3.354 -1.477) 4.191 7.851 ( 1.808 -2.018 -5.137) 5.808 8.363 ( -5.232 11.230 5.681) 13.630 8.857 ( 10.496 3.795 -4.795) 12.148 9.068 ( 5.804 -2.087 -3.420) 7.053 9.092 ( -5.777 3.349 6.729) 9.479 9.549 ( 14.353 -5.186 -3.497) 15.657 9.892 ( -5.792 -3.496 0.952) 6.832 10.308 ( -0.280 0.896 4.421) 4.520 10.567 ( -4.106 4.673 -5.125) 8.060 11.174 ( -12.978 -2.797 -0.558) 13.287 11.785 ( 0.140 0.229 -1.519) 1.542 11.822 ( -0.389 0.489 5.331) 5.367 12.578 ( 2.264 11.385 2.944) 11.976 13.237 ( 7.192 3.083 0.946) 7.882 13.486 ( -1.238 -13.418 -0.186) 13.476 ======================= Grid point 33 (23/275) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.000 21.824 0.000) 21.824 1.430 ( 0.000 16.552 0.000) 16.552 2.118 ( -0.000 -1.964 -0.000) 1.964 2.617 ( -0.000 -16.156 -0.000) 16.156 3.076 ( -0.000 -25.426 -0.000) 25.426 3.294 ( -0.000 -1.936 -0.000) 1.936 3.412 ( 0.000 43.327 0.000) 43.327 3.463 ( 0.000 1.811 0.000) 1.811 4.463 ( 0.000 2.315 0.000) 2.315 5.083 ( 0.000 0.042 0.000) 0.042 5.179 ( -0.000 -3.549 -0.000) 3.549 5.749 ( 0.000 2.223 0.000) 2.223 5.903 ( -0.000 -1.466 -0.000) 1.466 6.087 ( -0.000 -16.379 -0.000) 16.379 6.376 ( -0.000 -10.517 -0.000) 10.517 6.581 ( -0.000 -2.998 -0.000) 2.998 7.059 ( -0.000 -8.634 -0.000) 8.634 7.467 ( 0.000 4.356 0.000) 4.356 7.887 ( -0.000 -2.086 -0.000) 2.086 8.185 ( 0.000 13.283 0.000) 13.283 8.930 ( 0.000 5.103 0.000) 5.103 8.970 ( 0.000 2.382 0.000) 2.382 9.185 ( -0.000 -4.405 -0.000) 4.405 9.736 ( -0.000 -2.609 -0.000) 2.609 9.848 ( -0.000 -1.955 -0.000) 1.955 10.298 ( -0.000 -0.908 -0.000) 0.908 10.448 ( 0.000 8.491 0.000) 8.491 11.087 ( -0.000 -2.796 -0.000) 2.796 11.781 ( 0.000 0.168 0.000) 0.168 11.823 ( 0.000 0.464 0.000) 0.464 12.486 ( 0.000 9.190 0.000) 9.190 13.245 ( 0.000 5.740 0.000) 5.740 13.641 ( -0.000 -15.124 -0.000) 15.124 ======================= Grid point 40 (24/275) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -0.952 -0.000 -2.113) 2.318 1.843 ( -4.865 -0.000 -1.247) 5.022 2.026 ( -2.730 -0.000 -2.577) 3.754 2.354 ( -16.023 -0.000 -1.839) 16.128 2.533 ( 4.217 0.000 -0.557) 4.254 3.185 ( 5.953 0.000 2.749) 6.557 3.518 ( -2.903 -0.000 3.683) 4.689 4.298 ( 7.498 0.000 1.693) 7.686 4.491 ( 2.266 0.000 -5.216) 5.687 4.992 ( 7.010 0.000 -10.140) 12.327 5.182 ( -5.686 -0.000 6.845) 8.898 5.574 ( -1.457 -0.000 1.592) 2.158 5.804 ( 0.396 0.000 6.662) 6.674 6.035 ( -18.333 -0.000 -4.798) 18.950 6.296 ( -6.926 -0.000 0.201) 6.929 6.521 ( 0.591 0.000 0.584) 0.831 6.903 ( 1.469 0.000 -3.504) 3.800 7.534 ( 2.422 0.000 -1.728) 2.975 7.821 ( 0.920 0.000 -4.600) 4.692 8.515 ( -2.995 -0.000 4.954) 5.789 8.854 ( 3.509 0.000 -2.347) 4.222 9.078 ( 5.139 0.000 -7.822) 9.359 9.136 ( -4.872 -0.000 8.018) 9.382 9.469 ( 17.817 0.000 -2.900) 18.052 9.850 ( -4.675 -0.000 1.516) 4.915 10.323 ( 0.382 0.000 4.235) 4.252 10.621 ( -2.648 -0.000 -5.005) 5.663 11.137 ( -13.254 -0.000 -0.935) 13.287 11.787 ( -0.108 -0.000 -1.361) 1.365 11.827 ( -0.567 -0.000 5.497) 5.526 12.758 ( 2.294 0.000 4.791) 5.312 13.203 ( 4.564 0.000 -0.414) 4.583 13.355 ( 0.516 0.000 -0.988) 1.114 ======================= Grid point 42 (25/275) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.000 14.992 0.000) 14.992 1.707 ( 0.000 10.482 0.000) 10.482 2.055 ( -0.000 -5.351 -0.000) 5.351 2.280 ( -0.000 -12.344 -0.000) 12.344 2.640 ( -0.000 -11.785 -0.000) 11.785 3.246 ( -0.000 -1.647 -0.000) 1.647 3.495 ( 0.000 0.889 0.000) 0.889 4.215 ( 0.000 26.234 0.000) 26.234 4.497 ( 0.000 0.846 0.000) 0.846 5.065 ( -0.000 -1.793 -0.000) 1.793 5.131 ( -0.000 -1.039 -0.000) 1.039 5.677 ( -0.000 -12.182 -0.000) 12.182 5.822 ( -0.000 -1.346 -0.000) 1.346 5.851 ( -0.000 -2.223 -0.000) 2.223 6.248 ( -0.000 -2.197 -0.000) 2.197 6.534 ( -0.000 -1.266 -0.000) 1.266 6.927 ( -0.000 -3.344 -0.000) 3.344 7.540 ( 0.000 2.076 0.000) 2.076 7.835 ( -0.000 -1.928 -0.000) 1.928 8.442 ( 0.000 9.067 0.000) 9.067 8.899 ( -0.000 -5.118 -0.000) 5.118 9.039 ( 0.000 2.760 0.000) 2.760 9.172 ( 0.000 1.453 0.000) 1.453 9.693 ( -0.000 -1.182 -0.000) 1.182 9.769 ( -0.000 -3.456 -0.000) 3.456 10.322 ( 0.000 1.644 0.000) 1.644 10.573 ( 0.000 3.077 0.000) 3.077 11.025 ( -0.000 -2.138 -0.000) 2.138 11.784 ( 0.000 0.068 0.000) 0.068 11.830 ( 0.000 0.179 0.000) 0.179 12.715 ( 0.000 9.852 0.000) 9.852 13.293 ( -0.000 -5.900 -0.000) 5.900 13.371 ( -0.000 -3.528 -0.000) 3.528 ======================= Grid point 83 (26/275) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -6.147 -0.000 22.626) 23.446 0.534 ( 6.306 0.000 26.418) 27.160 1.062 ( -8.991 -0.000 50.478) 51.272 2.802 ( -21.535 -0.000 13.705) 25.526 3.181 ( -2.675 -0.000 -2.780) 3.858 3.484 ( -3.285 -0.000 20.996) 21.251 3.543 ( 27.779 0.000 -3.064) 27.948 4.023 ( -2.329 -0.000 0.969) 2.523 4.390 ( 23.860 0.000 -0.977) 23.880 5.009 ( 3.496 0.000 -3.920) 5.252 5.415 ( 3.730 0.000 -16.294) 16.715 5.706 ( -16.344 -0.000 6.140) 17.459 6.069 ( -8.009 -0.000 14.733) 16.769 6.252 ( -3.623 -0.000 -1.040) 3.769 7.018 ( 9.191 0.000 -5.094) 10.508 7.068 ( -0.809 -0.000 -2.137) 2.285 7.428 ( 3.445 0.000 -1.878) 3.923 7.574 ( 0.951 0.000 -5.710) 5.789 7.864 ( -27.804 -0.000 2.019) 27.877 7.900 ( -10.851 -0.000 -6.315) 12.555 8.252 ( 7.650 0.000 6.595) 10.100 8.980 ( -4.331 -0.000 -6.440) 7.761 9.251 ( 70.049 0.000 7.929) 70.496 9.534 ( 2.791 0.000 0.585) 2.851 9.820 ( 10.064 0.000 -4.824) 11.161 9.970 ( -28.402 -0.000 4.329) 28.730 10.068 ( -9.160 -0.000 5.896) 10.893 10.536 ( 0.864 0.000 0.219) 0.892 11.083 ( -1.646 -0.000 -0.158) 1.654 11.651 ( 1.503 0.000 -11.106) 11.207 12.380 ( 0.726 0.000 -3.392) 3.468 13.531 ( -0.511 -0.000 11.683) 11.694 14.838 ( -29.255 -0.000 -3.466) 29.459 ======================= Grid point 84 (27/275) ======================= q-point: ( 0.11 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 6.629 -30.049 11.323) 32.789 0.976 ( 17.541 -7.683 23.944) 30.660 1.368 ( 28.302 -7.618 34.018) 44.903 2.549 ( -9.447 3.844 24.799) 26.815 3.150 ( -1.016 -1.526 -7.165) 7.396 3.437 ( -6.408 3.818 21.188) 22.463 3.582 ( -2.081 9.220 -5.440) 10.906 3.990 ( -4.902 0.509 -3.130) 5.838 4.756 ( 13.830 6.746 0.373) 15.392 5.015 ( 1.253 -0.584 -3.896) 4.134 5.408 ( 4.909 4.554 -15.688) 17.057 5.553 ( -3.398 -1.346 1.812) 4.079 5.955 ( -9.231 0.319 11.531) 14.774 6.166 ( -8.222 -2.379 -2.970) 9.060 6.966 ( 0.027 12.518 -1.159) 12.571 7.092 ( 7.122 1.734 -3.277) 8.029 7.358 ( 2.135 10.407 -1.188) 10.689 7.579 ( 8.113 -6.179 -4.796) 11.269 7.699 ( -10.745 -1.762 7.835) 13.414 7.935 ( -10.331 -22.326 1.199) 24.630 8.298 ( 5.122 10.580 8.136) 14.296 8.909 ( -1.857 0.054 -7.348) 7.579 9.526 ( -1.642 4.963 7.090) 8.809 9.746 ( -7.209 -1.927 8.306) 11.166 9.928 ( 5.996 -1.341 2.676) 6.702 10.016 ( 7.368 0.292 -1.282) 7.484 10.426 ( 34.749 -7.926 -36.227) 50.820 10.655 ( 2.802 -22.204 -11.883) 25.340 11.113 ( 6.528 -0.751 -2.526) 7.040 11.655 ( 2.324 -0.565 -11.111) 11.366 12.387 ( 2.740 1.805 -3.727) 4.965 13.503 ( -3.336 8.304 17.305) 19.482 14.213 ( -29.908 3.827 18.228) 35.233 ======================= Grid point 85 (28/275) ======================= q-point: ( 0.22 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 12.005 -21.512 7.577) 25.774 1.363 ( 6.978 -23.785 19.076) 31.278 2.085 ( 37.196 -3.812 18.885) 41.890 2.494 ( -2.733 2.479 20.657) 20.984 3.101 ( -6.050 -0.571 -5.139) 7.958 3.365 ( -1.717 2.946 11.064) 11.578 3.420 ( -6.037 4.887 -1.938) 8.005 3.850 ( -3.337 10.111 -1.013) 10.696 4.712 ( -7.766 4.220 10.493) 13.719 5.084 ( 4.350 2.400 0.348) 4.980 5.398 ( 3.991 3.800 -15.353) 16.312 5.585 ( 6.837 -1.143 -5.166) 8.645 5.855 ( -7.648 -2.766 7.344) 10.958 6.044 ( -5.111 1.798 -6.237) 8.262 6.878 ( 2.661 9.312 -1.908) 9.871 7.194 ( 5.219 1.899 -4.769) 7.321 7.288 ( 1.016 2.387 -0.673) 2.680 7.551 ( -12.682 -3.781 3.146) 13.602 7.746 ( 4.266 -2.683 2.158) 5.482 7.998 ( -6.319 -14.515 5.339) 16.707 8.280 ( 3.653 8.148 6.327) 10.944 8.876 ( 0.097 0.252 -6.191) 6.197 9.504 ( 2.540 4.077 9.174) 10.355 9.617 ( -8.333 5.080 7.460) 12.284 10.009 ( -1.314 -7.934 2.362) 8.382 10.248 ( 18.930 1.502 -2.098) 19.105 10.704 ( 15.061 0.459 -8.374) 17.238 10.819 ( -5.983 -20.014 -26.555) 33.787 11.240 ( 4.410 -4.013 -10.057) 11.691 11.673 ( 2.960 -0.496 -11.162) 11.558 12.393 ( 2.366 4.044 -2.944) 5.533 13.345 ( -8.579 11.733 24.116) 28.158 13.965 ( -8.705 -2.307 7.968) 12.025 ======================= Grid point 86 (29/275) ======================= q-point: ( 0.33 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 8.656 -8.547 11.305) 16.606 1.850 ( 8.854 -33.214 7.397) 35.161 2.449 ( -0.704 5.306 19.790) 20.501 2.617 ( 13.026 -1.526 5.737) 14.315 2.951 ( -10.527 0.606 2.777) 10.904 3.331 ( 1.126 2.175 0.814) 2.581 3.342 ( -0.438 7.609 2.264) 7.951 3.765 ( 8.884 6.852 1.200) 11.283 4.570 ( -8.381 2.055 11.927) 14.722 5.039 ( -4.836 4.179 -1.212) 6.506 5.335 ( -5.701 1.277 -3.341) 6.730 5.745 ( 6.920 -0.084 -7.833) 10.453 5.836 ( 8.239 1.609 -3.314) 9.025 5.978 ( -0.491 -4.033 -2.439) 4.739 6.808 ( 0.266 7.676 -2.727) 8.150 7.145 ( -3.319 1.902 -5.411) 6.627 7.320 ( -9.592 -7.298 5.055) 13.070 7.417 ( -0.537 3.042 1.442) 3.410 7.819 ( 2.111 -2.018 3.356) 4.448 8.041 ( -5.968 -7.005 7.365) 11.787 8.315 ( 6.117 0.966 0.379) 6.205 8.869 ( 1.385 0.823 -4.116) 4.420 9.438 ( -8.028 7.209 7.860) 13.349 9.553 ( 3.841 2.164 7.939) 9.081 10.069 ( -0.442 -5.154 0.378) 5.186 10.510 ( 16.648 3.700 -2.898) 17.299 10.823 ( -6.421 -14.894 -24.484) 29.369 10.925 ( 12.433 -2.263 -2.353) 12.855 11.269 ( -2.137 -5.826 -8.907) 10.855 11.695 ( 3.410 0.201 -11.886) 12.367 12.350 ( -0.044 6.541 -1.063) 6.627 13.160 ( -8.310 8.706 24.429) 27.233 13.931 ( -1.878 -1.862 4.489) 5.210 ======================= Grid point 87 (30/275) ======================= q-point: ( 0.44 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 3.809 -4.865 9.965) 11.725 2.220 ( -4.824 -6.238 9.962) 12.705 2.485 ( 8.812 -11.059 3.190) 14.496 2.645 ( -8.355 -0.535 0.562) 8.391 2.824 ( -7.261 -1.322 8.992) 11.633 3.204 ( 0.288 12.816 10.177) 16.368 3.403 ( 6.713 0.730 0.100) 6.753 3.933 ( 8.291 -0.537 0.957) 8.364 4.491 ( -4.540 1.505 9.922) 11.015 4.878 ( -5.876 3.483 -2.358) 7.227 5.195 ( -7.381 2.456 0.695) 7.809 5.737 ( 1.058 0.720 -11.493) 11.564 5.951 ( 6.566 0.451 -6.987) 9.598 6.196 ( 13.560 -9.246 7.592) 18.083 6.713 ( -1.784 5.222 -3.405) 6.485 7.042 ( -5.271 1.517 -4.400) 7.032 7.200 ( -11.768 -5.691 5.436) 14.157 7.444 ( 2.134 0.111 2.025) 2.944 7.873 ( 2.974 1.907 2.632) 4.406 8.012 ( -7.871 -5.728 6.520) 11.716 8.430 ( 6.365 -2.926 -2.620) 7.479 8.875 ( 1.556 1.230 -1.871) 2.727 9.262 ( -5.132 9.009 6.665) 12.325 9.596 ( -1.033 -1.057 6.204) 6.378 10.102 ( -0.040 -1.621 -0.325) 1.654 10.632 ( 1.431 -2.904 -13.699) 14.076 10.823 ( -1.494 -5.474 -13.876) 14.992 11.076 ( 7.037 4.430 3.380) 8.976 11.343 ( 6.116 -9.572 -9.287) 14.672 11.709 ( 3.899 1.648 -13.799) 14.434 12.247 ( -1.622 9.758 -0.094) 9.892 13.056 ( -5.027 2.652 24.939) 25.579 13.950 ( -0.057 -2.059 4.899) 5.315 ======================= Grid point 88 (31/275) ======================= q-point: (-0.44 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -7.665 4.018 10.486) 13.596 2.090 ( -4.445 5.813 6.067) 9.506 2.343 ( -15.665 10.583 -0.704) 18.918 2.783 ( -3.359 -1.479 12.438) 12.968 2.914 ( 11.020 -19.907 1.661) 22.814 3.197 ( 3.459 3.405 15.365) 16.113 3.485 ( 1.564 -2.208 -1.269) 2.989 3.962 ( -4.967 -1.734 3.660) 6.408 4.283 ( -15.777 5.769 1.327) 16.851 4.914 ( 9.342 2.312 -1.016) 9.678 5.102 ( 0.574 -0.297 -3.945) 3.997 5.717 ( -0.267 -0.414 -8.395) 8.409 6.048 ( 4.322 -5.185 -1.596) 6.936 6.446 ( -1.913 -2.701 18.094) 18.394 6.721 ( 12.722 -3.087 -9.916) 16.423 6.946 ( -3.829 -0.357 -3.861) 5.449 7.108 ( -6.723 -2.605 0.845) 7.259 7.481 ( 0.535 -1.568 3.627) 3.987 7.887 ( -0.053 2.595 5.008) 5.641 7.948 ( -7.556 -4.256 1.865) 8.870 8.531 ( 3.089 -0.456 -0.478) 3.159 8.881 ( 0.894 0.283 0.023) 0.938 9.149 ( 1.639 7.449 2.214) 7.942 9.560 ( -8.529 -3.915 3.393) 9.979 10.095 ( -0.138 2.722 -0.847) 2.854 10.597 ( -5.996 -7.970 -17.582) 20.214 10.749 ( -8.523 -0.650 -4.615) 9.714 11.137 ( 10.565 10.819 -1.565) 15.203 11.540 ( 5.182 -8.093 -4.958) 10.814 11.717 ( 7.284 4.134 -16.090) 18.140 12.113 ( -0.372 10.337 0.879) 10.381 13.084 ( -0.829 -3.445 24.236) 24.494 14.000 ( 0.808 -3.114 7.238) 7.921 ======================= Grid point 89 (32/275) ======================= q-point: (-0.33 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -16.536 12.489 10.175) 23.085 1.851 ( -14.002 23.721 6.494) 28.301 2.122 ( -6.711 -6.851 5.318) 10.966 2.737 ( -11.771 3.580 15.034) 19.427 3.149 ( 0.859 1.903 16.078) 16.213 3.299 ( 2.024 -12.314 0.206) 12.481 3.488 ( -2.862 -3.014 0.239) 4.163 3.889 ( -8.092 -7.811 4.298) 12.040 4.111 ( 3.162 3.696 -4.417) 6.570 4.938 ( 2.215 3.683 -6.189) 7.535 5.222 ( 8.456 -2.910 -7.304) 11.546 5.707 ( 1.429 -0.090 -2.143) 2.577 6.170 ( 1.271 -5.208 4.613) 7.072 6.398 ( -9.882 -7.076 13.847) 18.425 6.888 ( -3.561 -4.003 -4.013) 6.694 7.029 ( 17.988 -1.505 -5.875) 18.983 7.043 ( -3.742 -1.366 -1.360) 4.209 7.512 ( 1.413 0.849 1.963) 2.563 7.792 ( -11.634 -3.410 8.224) 14.650 7.946 ( 2.541 -0.918 -1.247) 2.976 8.506 ( -2.589 6.648 6.637) 9.744 8.911 ( 2.467 -0.977 -2.071) 3.365 9.185 ( 8.907 2.345 -2.204) 9.471 9.433 ( -13.869 -6.070 -0.209) 15.140 10.030 ( -0.585 7.848 -1.913) 8.099 10.518 ( -11.892 -7.304 -6.941) 15.587 10.592 ( -5.419 0.995 -8.446) 10.084 11.153 ( 8.180 13.443 -4.150) 16.274 11.561 ( -4.013 -1.662 -14.355) 14.998 11.762 ( 4.251 4.052 -9.428) 11.107 12.096 ( 9.641 5.048 1.100) 10.938 13.211 ( 0.974 -6.910 22.059) 23.136 14.091 ( 2.726 -4.485 12.177) 13.260 ======================= Grid point 90 (33/275) ======================= q-point: (-0.22 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -16.065 16.288 13.140) 26.383 1.347 ( -21.988 18.840 9.065) 30.342 1.976 ( -25.867 6.329 15.321) 30.723 2.456 ( -9.693 2.962 20.951) 23.274 3.222 ( 0.202 -7.667 10.999) 13.409 3.384 ( -1.058 1.443 1.001) 2.050 3.473 ( -2.243 -3.427 0.541) 4.131 3.963 ( 1.414 -10.238 2.298) 10.588 4.178 ( 8.155 1.871 -7.164) 11.015 4.931 ( 3.057 1.726 -7.465) 8.249 5.322 ( 3.887 -3.154 -10.877) 11.974 5.757 ( 5.477 2.132 1.037) 5.968 6.167 ( -7.009 -1.876 12.297) 14.278 6.419 ( -8.882 -13.847 7.578) 18.113 6.876 ( -1.231 -2.902 2.083) 3.779 7.022 ( 0.565 -3.643 -7.003) 7.914 7.230 ( 3.922 -0.751 -1.926) 4.433 7.473 ( 2.232 8.884 -5.735) 10.807 7.773 ( -2.795 -12.100 13.427) 18.289 8.008 ( 2.776 -2.479 -3.236) 4.932 8.387 ( -2.708 10.542 11.930) 16.150 8.953 ( 3.407 0.694 -5.264) 6.309 9.248 ( -11.701 -4.359 -2.366) 12.709 9.358 ( 9.814 -1.060 -3.942) 10.629 9.896 ( -2.104 11.769 -3.327) 12.410 10.344 ( -13.248 -3.005 2.149) 13.753 10.523 ( -2.512 -1.721 -10.905) 11.322 11.088 ( 4.962 15.927 -9.020) 18.964 11.402 ( -10.229 1.832 -19.651) 22.229 11.718 ( 0.039 3.170 -9.258) 9.786 12.247 ( 10.252 0.897 -0.571) 10.307 13.359 ( 0.251 -7.738 18.686) 20.226 14.279 ( 8.136 -8.206 21.041) 24.006 ======================= Grid point 91 (34/275) ======================= q-point: (-0.11 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -11.852 20.952 16.578) 29.228 0.824 ( -30.029 5.858 14.282) 33.765 1.372 ( -32.637 14.878 35.301) 50.326 2.595 ( 11.063 -10.999 29.115) 33.031 3.270 ( -3.241 2.495 3.636) 5.473 3.335 ( -6.880 -8.362 -4.918) 11.894 3.469 ( -0.292 2.790 11.939) 12.264 4.069 ( 2.959 0.699 -1.233) 3.281 4.243 ( 4.625 1.799 -5.584) 7.470 4.957 ( 4.089 0.619 -6.331) 7.562 5.379 ( 2.924 -3.828 -13.405) 14.245 5.812 ( 2.016 1.008 1.261) 2.582 6.116 ( -7.682 -4.476 13.447) 16.120 6.360 ( -9.506 -1.428 2.425) 9.914 6.902 ( -3.003 -6.198 8.106) 10.636 7.157 ( -6.437 1.080 -0.137) 6.528 7.182 ( 9.619 -13.467 -5.559) 17.458 7.467 ( 7.585 5.410 -7.525) 11.976 7.967 ( 3.367 -10.248 9.215) 14.187 8.023 ( -6.365 -9.508 0.734) 11.465 8.299 ( 2.363 12.529 8.403) 15.270 8.938 ( 5.049 14.684 -7.109) 17.078 9.095 ( -8.683 -1.457 -3.292) 9.399 9.507 ( 9.769 6.556 -2.951) 12.130 9.744 ( -0.200 5.099 -3.834) 6.383 10.192 ( -11.118 -2.723 4.753) 12.394 10.454 ( -6.945 -1.452 -13.974) 15.672 10.792 ( -13.416 25.879 -25.083) 38.456 11.160 ( -8.911 0.418 -2.295) 9.211 11.671 ( 0.552 1.222 -10.549) 10.634 12.357 ( 3.908 -0.532 -2.933) 4.915 13.473 ( -0.640 -5.591 13.928) 15.022 14.681 ( 15.329 -18.928 20.457) 31.808 ======================= Grid point 93 (35/275) ======================= q-point: ( 0.11 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 15.123 0.000 11.100) 18.760 1.190 ( 10.200 0.000 24.540) 26.576 2.063 ( 42.776 0.000 19.076) 46.837 2.525 ( -4.013 -0.000 22.552) 22.907 3.080 ( -4.866 -0.000 -7.722) 9.127 3.399 ( -6.437 -0.000 20.441) 21.431 3.504 ( -7.459 -0.000 -12.019) 14.145 3.946 ( -1.906 -0.000 -0.204) 1.916 4.762 ( -10.830 -0.000 9.539) 14.432 5.136 ( 7.874 0.000 1.316) 7.983 5.434 ( -0.116 -0.000 -16.482) 16.483 5.576 ( 7.317 0.000 -5.645) 9.241 5.823 ( -8.783 -0.000 7.374) 11.468 6.055 ( -2.616 -0.000 -8.351) 8.751 7.043 ( 1.755 0.000 -3.917) 4.293 7.131 ( -3.446 -0.000 0.539) 3.488 7.402 ( -3.391 -0.000 1.577) 3.739 7.530 ( -2.107 -0.000 -10.960) 11.161 7.605 ( -4.089 -0.000 3.583) 5.436 7.850 ( 8.406 0.000 11.817) 14.501 8.401 ( -1.212 -0.000 5.220) 5.359 8.872 ( 0.003 0.000 -5.932) 5.932 9.565 ( -2.634 -0.000 5.543) 6.137 9.728 ( 2.878 0.000 9.628) 10.049 9.864 ( -3.553 -0.000 4.726) 5.912 10.269 ( 18.153 0.000 -2.926) 18.387 10.491 ( -4.119 -0.000 -15.684) 16.216 10.743 ( 18.801 0.000 -21.800) 28.787 11.197 ( 3.408 0.000 -6.580) 7.411 11.668 ( 3.497 0.000 -11.881) 12.385 12.435 ( 1.894 0.000 -0.983) 2.134 13.561 ( -2.717 -0.000 13.821) 14.085 13.875 ( -16.834 -0.000 16.836) 23.808 ======================= Grid point 94 (36/275) ======================= q-point: ( 0.22 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 17.275 -21.358 5.330) 27.983 1.432 ( 9.497 -4.089 17.030) 19.923 2.523 ( -2.709 1.746 18.818) 19.092 2.647 ( 20.473 2.025 11.634) 23.635 2.944 ( -10.836 -0.847 -1.409) 10.960 3.360 ( -3.624 0.549 9.584) 10.261 3.423 ( 6.797 1.828 -7.492) 10.280 3.910 ( 0.864 4.081 1.165) 4.331 4.613 ( -9.237 1.350 11.599) 14.889 5.159 ( -2.723 6.447 3.350) 7.759 5.318 ( -10.082 -2.975 -4.882) 11.590 5.742 ( 11.263 -0.667 -6.239) 12.893 5.770 ( 2.397 -2.596 -3.946) 5.296 6.012 ( 2.075 2.259 -11.802) 12.194 6.945 ( -8.487 4.342 2.512) 9.859 7.103 ( -2.007 -4.483 -3.964) 6.312 7.283 ( -7.617 5.258 0.503) 9.269 7.481 ( -2.512 1.220 -2.505) 3.752 7.652 ( 1.579 -10.078 -0.117) 10.201 8.015 ( 7.238 1.774 8.209) 11.087 8.354 ( -2.583 1.713 3.987) 5.050 8.877 ( 1.978 -0.067 -3.352) 3.893 9.501 ( -6.484 1.663 9.012) 11.226 9.727 ( 3.637 10.632 5.130) 12.352 9.933 ( 2.117 -7.772 2.081) 8.320 10.410 ( -9.916 -13.652 -17.422) 24.253 10.574 ( 20.590 0.579 -1.236) 20.635 10.964 ( 17.110 1.312 -16.936) 24.110 11.175 ( -5.005 -2.482 -2.621) 6.171 11.699 ( 4.498 0.095 -12.431) 13.220 12.437 ( -0.706 1.790 4.620) 5.004 13.434 ( -6.361 14.251 17.220) 23.239 13.803 ( -6.057 -9.393 6.799) 13.082 ======================= Grid point 95 (37/275) ======================= q-point: ( 0.33 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 9.280 -7.137 6.487) 13.384 1.730 ( 13.017 -23.952 8.901) 28.677 2.450 ( -7.945 2.843 4.859) 9.737 2.746 ( -7.609 3.388 7.230) 11.029 2.790 ( -3.360 -0.333 8.199) 8.867 3.324 ( -2.585 0.122 2.080) 3.320 3.555 ( 10.295 9.199 2.677) 14.063 3.947 ( 6.563 1.373 0.849) 6.759 4.534 ( -2.126 2.053 12.229) 12.581 4.949 ( -13.214 3.152 -0.560) 13.596 5.216 ( -5.282 0.245 1.491) 5.493 5.758 ( 1.683 0.556 -15.216) 15.319 5.920 ( -0.252 -4.394 -0.323) 4.413 6.109 ( 19.739 1.661 -6.702) 20.912 6.771 ( -10.738 0.419 5.059) 11.878 7.073 ( -8.949 2.263 -2.167) 9.481 7.120 ( -1.193 -0.514 -2.905) 3.183 7.419 ( -6.803 -4.241 1.649) 8.184 7.790 ( 3.417 -6.670 -3.285) 8.183 8.048 ( 1.106 7.139 7.493) 10.409 8.372 ( 3.347 -3.155 0.106) 4.601 8.907 ( 2.841 1.307 -0.423) 3.156 9.383 ( -7.826 3.129 10.348) 13.347 9.674 ( -0.000 7.932 2.897) 8.444 10.046 ( 3.367 -3.937 0.267) 5.188 10.360 ( -10.425 -16.666 -17.607) 26.391 10.830 ( 9.938 3.881 -2.735) 11.014 11.143 ( 3.557 -8.612 -9.509) 13.313 11.179 ( 13.053 3.585 -4.045) 14.128 11.740 ( 5.814 1.059 -13.112) 14.382 12.410 ( -0.158 4.998 6.642) 8.314 13.228 ( -6.542 12.598 19.912) 24.454 13.835 ( -4.501 -8.685 4.402) 10.727 ======================= Grid point 96 (38/275) ======================= q-point: (-0.56 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 1.986 -2.481 9.009) 9.553 2.119 ( -4.484 -4.230 7.690) 9.856 2.376 ( 3.856 -18.708 -3.306) 19.385 2.572 ( -8.737 3.223 3.623) 9.992 2.781 ( -1.044 3.244 9.330) 9.932 3.309 ( 0.503 -0.348 5.374) 5.409 3.554 ( 2.653 11.076 7.185) 13.466 3.969 ( -3.355 2.007 2.323) 4.548 4.423 ( -12.254 6.896 3.494) 14.489 4.884 ( 5.565 -6.212 1.759) 8.524 5.126 ( -3.038 4.078 -1.853) 5.412 5.716 ( -0.337 0.395 -14.935) 14.944 5.955 ( 0.324 -4.146 1.344) 4.371 6.412 ( 12.281 -0.202 9.171) 15.328 6.639 ( -4.675 -2.666 -3.685) 6.522 6.914 ( -9.400 -3.360 2.706) 10.342 7.120 ( 3.745 3.448 -8.763) 10.134 7.373 ( -8.118 -8.443 4.127) 12.419 7.841 ( -4.157 -4.896 -3.106) 7.134 8.018 ( 4.866 8.375 5.390) 11.085 8.491 ( 6.583 -3.074 -2.271) 7.612 8.921 ( 1.151 3.053 1.693) 3.676 9.267 ( -4.898 2.937 8.615) 10.335 9.560 ( -6.732 4.219 0.751) 7.981 10.121 ( 2.905 -0.977 -0.690) 3.142 10.335 ( -7.952 -13.944 -13.450) 20.942 10.782 ( -5.837 2.781 -4.281) 7.754 11.313 ( 10.715 4.090 -4.381) 12.277 11.357 ( 9.222 -7.024 -9.397) 14.922 11.795 ( 8.413 2.816 -12.537) 15.359 12.347 ( 0.441 10.535 4.504) 11.466 13.109 ( -2.757 5.684 24.178) 24.989 13.868 ( -4.287 -8.916 4.996) 11.083 ======================= Grid point 97 (39/275) ======================= q-point: (-0.44 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -10.108 9.353 11.943) 18.228 1.972 ( -12.266 -4.611 1.483) 13.188 2.297 ( -8.172 14.104 6.590) 17.582 2.766 ( -0.530 -0.571 6.369) 6.417 2.857 ( 12.892 -24.707 -1.603) 27.915 3.369 ( 2.486 8.926 15.038) 17.663 3.411 ( -10.453 2.928 6.372) 12.588 3.823 ( -11.618 1.678 3.385) 12.217 4.212 ( -0.998 5.444 -3.056) 6.322 5.036 ( -1.473 2.807 -5.643) 6.473 5.088 ( 7.388 -6.752 -2.778) 10.387 5.685 ( 0.579 -1.706 -7.560) 7.771 6.038 ( 2.265 -5.764 5.344) 8.180 6.358 ( -13.005 1.967 11.909) 17.743 6.758 ( 2.763 -6.356 -2.344) 7.316 6.902 ( 1.841 -7.386 -0.404) 7.622 7.112 ( 2.939 3.254 -9.860) 10.791 7.377 ( -4.645 -9.818 6.439) 12.626 7.773 ( -6.189 -0.720 -2.041) 6.556 8.048 ( 8.510 8.472 1.647) 12.121 8.588 ( 2.607 1.666 2.281) 3.844 8.906 ( 1.145 1.027 0.281) 1.564 9.239 ( 1.924 0.708 3.515) 4.069 9.387 ( -9.553 2.553 -0.711) 9.914 10.154 ( 2.271 2.434 -1.265) 3.561 10.317 ( -7.186 -9.883 -7.153) 14.159 10.627 ( -7.629 2.269 -5.662) 9.768 11.370 ( 5.782 6.342 -8.188) 11.861 11.476 ( 0.721 -5.140 -12.581) 13.609 11.863 ( 5.979 4.298 -6.577) 9.873 12.261 ( 4.125 10.415 0.891) 11.238 13.147 ( 2.277 0.889 25.089) 25.208 13.928 ( -2.842 -10.447 7.500) 13.171 ======================= Grid point 98 (40/275) ======================= q-point: (-0.33 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -16.141 13.894 12.860) 24.878 1.659 ( -25.954 7.648 4.287) 27.395 2.173 ( 3.423 9.018 10.674) 14.386 2.696 ( -9.485 16.032 14.034) 23.322 3.079 ( -11.061 0.208 7.889) 13.588 3.277 ( 11.153 -15.260 -1.491) 18.960 3.442 ( -1.877 -0.576 5.961) 6.276 3.707 ( -5.487 -7.997 6.499) 11.675 4.228 ( 7.096 2.769 -5.631) 9.472 4.986 ( 1.067 2.718 -6.139) 6.798 5.213 ( 1.214 -6.825 -7.847) 10.470 5.757 ( 6.501 -2.578 -0.676) 7.026 6.115 ( -11.204 -1.663 10.955) 15.758 6.201 ( -1.127 -6.442 4.944) 8.199 6.790 ( -3.842 -4.876 2.937) 6.867 6.997 ( 0.971 -1.132 -5.552) 5.749 7.099 ( -5.114 -9.954 -6.968) 13.183 7.479 ( 2.456 -7.367 9.302) 12.118 7.670 ( -3.021 3.564 -2.748) 5.420 8.111 ( 9.888 9.263 -0.963) 13.583 8.550 ( -2.117 5.126 9.876) 11.326 8.955 ( 4.827 -0.469 -6.469) 8.085 9.198 ( -8.820 -0.087 1.570) 8.959 9.360 ( 11.314 1.255 -1.813) 11.527 10.116 ( -1.450 6.636 -2.697) 7.308 10.260 ( -7.993 -4.065 0.257) 8.971 10.487 ( -5.529 -0.556 -8.519) 10.171 11.314 ( -3.951 3.560 -4.486) 6.958 11.449 ( 1.188 3.090 -21.702) 21.953 11.823 ( -0.928 6.100 -3.518) 7.102 12.288 ( 7.108 3.624 -2.692) 8.421 13.259 ( 2.440 -0.832 23.144) 23.287 14.055 ( 0.249 -12.657 11.914) 17.384 ======================= Grid point 99 (41/275) ======================= q-point: (-0.22 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -26.278 10.402 12.132) 30.756 1.176 ( -15.222 18.312 16.523) 28.984 1.993 ( -8.296 36.500 15.999) 40.707 2.431 ( -4.749 -0.842 23.128) 23.626 3.105 ( -1.147 -11.026 2.547) 11.375 3.353 ( -5.052 3.108 1.742) 6.182 3.495 ( 3.038 -1.218 9.487) 10.035 3.874 ( 4.767 -17.970 -2.120) 18.712 4.290 ( 5.162 2.623 -4.098) 7.093 4.981 ( 3.022 1.339 -5.585) 6.490 5.263 ( 0.283 -6.347 -9.439) 11.378 5.846 ( -3.606 1.973 1.398) 4.341 5.971 ( -5.750 -5.887 10.076) 13.010 6.333 ( 4.066 -3.677 4.932) 7.374 6.778 ( -4.768 -5.070 3.580) 7.826 6.946 ( -8.968 -9.156 -5.075) 13.784 7.128 ( 0.679 -4.627 -5.879) 7.512 7.555 ( 2.065 4.644 -2.427) 5.632 7.696 ( 3.079 -9.705 11.709) 15.516 8.088 ( -2.225 8.368 1.723) 8.828 8.541 ( 5.680 8.634 7.387) 12.703 8.970 ( -2.441 -2.142 -10.608) 11.094 9.169 ( 9.795 3.339 2.542) 10.656 9.568 ( 15.429 0.451 -3.124) 15.749 9.937 ( -9.111 7.878 -2.953) 12.401 10.173 ( -4.705 2.122 3.394) 6.177 10.399 ( -6.155 -3.130 -10.423) 12.502 11.168 ( -9.454 -0.079 -4.578) 10.504 11.317 ( 2.888 16.861 -25.984) 31.109 11.730 ( -1.001 4.596 -6.619) 8.120 12.342 ( 2.379 -0.249 -3.463) 4.208 13.355 ( -0.634 -2.952 21.238) 21.452 14.265 ( 0.301 -17.427 16.075) 23.711 ======================= Grid point 100 (42/275) ======================= q-point: (-0.11 0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 6.929 9.788 22.322) 25.340 0.897 ( -0.969 21.777 19.822) 29.463 1.465 ( -8.652 38.104 28.770) 48.523 2.537 ( -5.619 -11.890 25.576) 28.759 3.195 ( -1.275 -2.376 -3.995) 4.820 3.312 ( 3.104 -5.768 10.718) 12.561 3.530 ( -1.331 0.514 12.884) 12.963 4.063 ( -2.500 -8.729 -10.722) 14.050 4.391 ( 16.234 -0.158 0.463) 16.242 5.014 ( 3.043 0.489 -4.174) 5.189 5.321 ( 2.158 -6.547 -10.962) 12.949 5.683 ( -11.748 -0.255 4.108) 12.448 6.013 ( -2.979 -2.360 9.982) 10.681 6.339 ( -5.354 3.780 0.253) 6.559 6.815 ( 0.950 -9.060 1.553) 9.241 6.966 ( -2.268 -12.545 1.036) 12.790 7.202 ( 6.169 -3.922 -6.850) 10.018 7.544 ( 4.538 4.747 -3.933) 7.655 7.886 ( -7.715 0.495 11.297) 13.689 7.972 ( 4.936 -7.883 10.201) 13.805 8.422 ( -7.844 17.429 -1.839) 19.201 8.939 ( -1.694 -3.268 -6.903) 7.823 9.437 ( 20.276 -0.720 -0.225) 20.290 9.712 ( -1.223 8.285 -3.030) 8.906 9.788 ( 10.329 0.404 -0.038) 10.337 10.072 ( -4.336 4.408 2.784) 6.781 10.278 ( -1.363 3.502 -17.471) 17.870 10.951 ( 2.514 28.505 -21.597) 35.851 11.107 ( -2.060 5.706 -4.858) 7.771 11.671 ( 0.745 1.957 -9.507) 9.735 12.357 ( -0.006 -1.785 -3.231) 3.691 13.426 ( -3.230 -6.166 20.235) 21.398 14.434 ( -15.582 -21.553 14.468) 30.276 ======================= Grid point 103 (43/275) ======================= q-point: ( 0.22 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 20.905 0.000 4.692) 21.425 1.593 ( 7.581 0.000 10.908) 13.283 2.489 ( -7.986 -0.000 5.876) 9.915 2.744 ( -13.273 -0.000 2.437) 13.495 2.824 ( 2.180 0.000 13.335) 13.512 3.319 ( -4.453 -0.000 4.099) 6.053 3.657 ( 16.182 0.000 -2.634) 16.395 3.965 ( 3.119 0.000 2.918) 4.271 4.559 ( -1.763 -0.000 12.400) 12.525 4.991 ( -21.262 -0.000 -0.521) 21.269 5.217 ( 0.339 0.000 3.336) 3.353 5.760 ( 2.494 0.000 -16.600) 16.786 5.863 ( 2.362 0.000 -0.112) 2.365 6.142 ( 16.830 0.000 -11.882) 20.602 6.764 ( -12.896 -0.000 9.265) 15.879 7.121 ( 4.675 0.000 -7.879) 9.162 7.175 ( -11.135 -0.000 -2.999) 11.532 7.286 ( -15.359 -0.000 9.116) 17.861 7.722 ( 8.130 0.000 -10.066) 12.940 8.164 ( 6.111 0.000 6.061) 8.607 8.310 ( -2.257 -0.000 3.541) 4.199 8.921 ( 3.743 0.000 0.343) 3.759 9.425 ( -7.852 -0.000 11.129) 13.620 9.861 ( 1.058 0.000 0.587) 1.209 9.913 ( -0.454 -0.000 -1.057) 1.150 10.147 ( -5.019 -0.000 -13.053) 13.984 10.908 ( 19.686 0.000 -0.736) 19.700 11.014 ( -7.464 -0.000 -9.049) 11.730 11.218 ( 14.791 0.000 -8.349) 16.984 11.751 ( 6.339 0.000 -12.665) 14.163 12.462 ( 0.667 0.000 10.666) 10.687 13.462 ( -8.801 -0.000 16.663) 18.844 13.653 ( -4.986 -0.000 3.804) 6.272 ======================= Grid point 104 (44/275) ======================= q-point: ( 0.33 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 4.981 -1.535 6.981) 8.713 1.793 ( 17.317 -13.306 5.343) 22.483 2.315 ( -11.400 2.627 -0.866) 11.731 2.554 ( -12.534 -2.309 5.232) 13.777 2.899 ( 4.351 4.857 14.038) 15.478 3.250 ( -6.153 -2.931 1.851) 7.063 3.765 ( 2.369 5.628 2.028) 6.435 4.028 ( 3.146 2.556 3.862) 5.599 4.562 ( -8.019 6.254 4.504) 11.123 4.716 ( -6.598 -8.048 2.375) 10.675 5.226 ( 1.709 3.573 0.407) 3.982 5.724 ( -0.932 0.179 -18.224) 18.249 5.881 ( -0.099 -2.056 1.467) 2.528 6.417 ( 18.470 0.176 -4.836) 19.093 6.626 ( -8.247 0.288 9.691) 12.728 6.904 ( -14.656 4.357 0.558) 15.300 7.135 ( -15.812 -10.890 5.014) 19.843 7.185 ( 6.649 0.596 -7.629) 10.137 7.769 ( -0.270 -1.629 -8.211) 8.375 8.208 ( 6.118 8.437 3.489) 10.990 8.396 ( 6.796 -5.692 -0.258) 8.869 8.980 ( 3.339 1.719 3.098) 4.868 9.317 ( -7.641 1.999 11.524) 13.971 9.691 ( -9.769 6.913 -4.952) 12.952 9.959 ( -3.231 -11.572 -4.536) 12.842 10.175 ( 5.308 -1.484 -2.967) 6.260 10.845 ( -8.001 2.429 -3.983) 9.262 11.192 ( 10.860 -4.803 -2.709) 12.180 11.400 ( 12.291 1.765 -14.551) 19.129 11.833 ( 8.299 0.779 -10.724) 13.583 12.516 ( 4.361 4.424 10.667) 12.344 13.291 ( -7.621 9.571 18.459) 22.146 13.648 ( -6.431 -10.239 4.597) 12.935 ======================= Grid point 105 (45/275) ======================= q-point: (-0.56 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -0.461 -1.765 7.928) 8.135 2.009 ( -11.545 6.305 5.563) 14.282 2.298 ( 9.355 -16.777 2.790) 19.411 2.452 ( -4.165 -5.744 3.873) 8.083 2.847 ( -4.692 8.874 3.837) 10.746 3.259 ( -1.470 -7.549 9.109) 11.922 3.695 ( -2.814 7.385 6.769) 10.405 3.971 ( -3.594 12.278 5.458) 13.909 4.325 ( -6.422 4.679 -2.967) 8.482 4.840 ( 2.381 -10.874 -2.458) 11.400 5.189 ( 1.252 6.638 -1.981) 7.040 5.651 ( -2.131 -1.200 -12.673) 12.907 5.937 ( 2.089 -3.605 5.932) 7.249 6.449 ( -12.460 6.050 8.459) 16.230 6.653 ( 5.288 -3.196 -2.396) 6.627 6.757 ( -1.045 -5.789 -0.417) 5.897 7.008 ( -16.902 -12.137 3.666) 21.129 7.288 ( 9.294 1.280 -3.782) 10.115 7.734 ( -3.055 -2.252 -6.284) 7.341 8.250 ( 10.431 9.627 0.409) 14.201 8.577 ( 8.646 -2.853 -1.443) 9.218 8.975 ( -1.003 5.031 3.338) 6.120 9.241 ( -2.265 0.345 8.227) 8.540 9.462 ( -10.025 2.470 -2.900) 10.725 10.013 ( -3.237 -10.286 -4.131) 11.547 10.261 ( 5.086 1.001 -0.106) 5.185 10.682 ( -7.819 2.533 -4.136) 9.201 11.324 ( 0.088 -5.476 -6.799) 8.731 11.493 ( 8.142 2.820 -16.627) 18.727 11.921 ( 5.767 1.342 -5.352) 7.981 12.515 ( 3.398 12.093 4.865) 13.470 13.212 ( 0.799 4.120 21.973) 22.370 13.675 ( -6.490 -12.233 5.968) 15.079 ======================= Grid point 106 (46/275) ======================= q-point: (-0.44 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -16.909 12.599 7.289) 22.311 1.748 ( -8.330 2.705 9.664) 13.042 2.325 ( -4.947 4.130 14.097) 15.500 2.713 ( -4.886 -7.095 -1.282) 8.710 2.807 ( 12.711 -22.127 -1.703) 25.575 3.329 ( -1.640 0.597 10.547) 10.690 3.565 ( -2.233 16.706 13.411) 21.539 3.697 ( -10.941 10.431 1.527) 15.194 4.283 ( 4.943 2.198 -5.251) 7.538 4.950 ( 0.233 -7.510 -7.473) 10.597 5.147 ( 1.361 2.787 -2.730) 4.132 5.665 ( 3.914 -5.171 -4.821) 8.081 6.040 ( 1.515 -4.321 9.359) 10.419 6.191 ( -13.090 3.547 3.186) 13.931 6.686 ( -3.229 -4.700 3.436) 6.657 6.832 ( -14.223 -14.454 -5.783) 21.087 6.924 ( 1.428 -4.888 2.567) 5.703 7.413 ( 7.091 0.695 2.500) 7.551 7.704 ( -0.617 -0.890 -5.836) 5.936 8.327 ( 11.349 10.353 -1.322) 15.418 8.644 ( -0.682 4.031 4.997) 6.456 8.944 ( 3.563 0.175 -4.593) 5.816 9.232 ( -2.866 2.542 4.885) 6.209 9.380 ( 5.134 -0.525 0.070) 5.162 10.036 ( -5.833 -8.283 -2.887) 10.534 10.311 ( 4.332 4.112 1.625) 6.189 10.515 ( -7.755 2.869 -5.849) 10.128 11.281 ( -8.419 -4.273 -8.944) 13.005 11.524 ( 5.888 3.081 -17.581) 18.795 11.927 ( -1.283 2.947 -0.008) 3.214 12.440 ( 3.240 10.944 -0.588) 11.429 13.296 ( 4.588 2.959 20.600) 21.312 13.755 ( -3.564 -14.914 8.093) 17.338 ======================= Grid point 107 (47/275) ======================= q-point: (-0.33 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -20.553 15.107 9.002) 27.050 1.532 ( -9.234 14.753 17.569) 24.731 2.297 ( 0.102 1.052 15.847) 15.883 2.763 ( -0.395 -4.517 0.488) 4.561 3.059 ( -7.450 29.158 10.977) 32.034 3.247 ( 9.979 -21.701 -4.689) 24.342 3.414 ( -4.929 2.373 4.549) 7.115 3.587 ( -4.724 -4.245 10.746) 12.482 4.346 ( 6.427 2.380 -3.048) 7.501 4.984 ( 1.454 -2.168 -7.313) 7.765 5.154 ( 0.657 -2.301 -4.384) 4.995 5.843 ( 9.414 -5.135 0.244) 10.726 5.918 ( -13.587 2.220 5.572) 14.852 6.201 ( 4.525 -6.987 3.819) 9.159 6.677 ( -16.511 -11.564 -1.023) 20.184 6.687 ( -6.322 -7.257 0.284) 9.629 7.057 ( 6.624 -3.578 -1.665) 7.711 7.510 ( 2.402 -2.603 8.945) 9.621 7.698 ( 3.028 2.584 -5.892) 7.111 8.288 ( -3.947 10.222 5.179) 12.120 8.655 ( 8.266 3.404 -1.207) 9.021 8.973 ( -0.505 1.198 -6.710) 6.834 9.220 ( 6.221 2.404 7.088) 9.732 9.564 ( 14.388 -1.254 -2.412) 14.643 9.963 ( -10.564 -3.342 -1.255) 11.151 10.316 ( 3.211 8.822 0.109) 9.389 10.351 ( -7.842 -0.721 -5.796) 9.778 11.139 ( -9.489 -2.873 -7.115) 12.204 11.520 ( 4.935 4.677 -19.392) 20.549 11.844 ( -3.078 4.768 -0.754) 5.725 12.386 ( 1.060 5.360 -3.226) 6.345 13.365 ( 0.944 2.923 18.524) 18.777 13.912 ( -1.793 -16.406 9.932) 19.262 ======================= Grid point 108 (48/275) ======================= q-point: (-0.22 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 5.516 16.439 16.516) 23.946 1.304 ( -3.026 17.902 21.869) 28.424 2.345 ( 2.322 12.102 11.449) 16.821 2.447 ( -8.747 28.929 17.103) 34.726 3.006 ( 2.015 -10.889 4.707) 12.032 3.333 ( -2.227 3.355 2.397) 4.686 3.499 ( -1.385 -6.006 3.652) 7.164 3.666 ( -3.436 -22.087 0.766) 22.366 4.430 ( 9.381 3.034 2.210) 10.104 5.021 ( 3.216 -0.288 -5.684) 6.537 5.192 ( 1.461 -4.888 -6.461) 8.233 5.713 ( -9.209 2.647 1.899) 9.768 5.985 ( 1.944 -0.771 5.989) 6.344 6.307 ( -7.932 -7.098 -1.548) 10.756 6.641 ( 1.901 -13.498 -2.265) 13.818 6.694 ( -1.278 -6.660 1.623) 6.973 7.178 ( 6.597 -0.120 -4.042) 7.737 7.600 ( -0.149 -3.699 11.808) 12.375 7.746 ( 8.144 -0.201 -1.623) 8.307 8.091 ( -8.193 9.087 7.146) 14.169 8.707 ( 1.117 8.759 -2.199) 9.100 8.891 ( -2.671 0.485 -5.639) 6.259 9.383 ( 6.602 -3.492 5.982) 9.569 9.783 ( 8.866 -0.909 -0.524) 8.927 9.814 ( -4.201 2.024 -1.319) 4.846 10.190 ( -3.882 2.827 -7.361) 8.789 10.306 ( 3.596 4.834 -2.466) 6.510 11.062 ( 0.163 -1.308 -4.399) 4.592 11.456 ( 3.668 10.915 -23.620) 26.278 11.741 ( -1.981 4.457 -4.810) 6.850 12.339 ( -1.201 1.146 -3.527) 3.898 13.372 ( -3.773 1.034 19.759) 20.143 14.056 ( -6.412 -15.830 9.768) 19.675 ======================= Grid point 109 (49/275) ======================= q-point: (-0.11 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 15.270 13.856 15.869) 26.019 1.247 ( 23.371 12.291 18.981) 32.520 1.921 ( 2.401 42.079 15.102) 44.772 2.448 ( -3.212 -4.433 22.298) 22.960 3.144 ( -0.228 -6.357 -1.938) 6.650 3.309 ( 0.781 -0.949 5.494) 5.630 3.474 ( -6.970 -2.967 8.624) 11.479 3.801 ( -6.971 -18.108 -4.528) 19.925 4.618 ( 9.968 -3.431 6.665) 12.472 5.037 ( 1.472 1.277 -3.718) 4.197 5.281 ( 5.111 -6.364 -10.514) 13.310 5.590 ( -2.573 2.394 -1.690) 3.899 5.970 ( -5.340 1.378 8.509) 10.140 6.166 ( -11.850 -3.905 -3.474) 12.952 6.745 ( 1.976 -7.558 -1.156) 7.897 6.958 ( 12.804 -11.130 -1.752) 17.056 7.249 ( 4.175 0.290 -4.340) 6.029 7.645 ( 0.880 -0.471 8.471) 8.530 7.825 ( -6.374 6.924 2.022) 9.626 8.020 ( 8.450 -5.894 7.452) 12.715 8.417 ( -15.476 17.041 0.633) 23.028 8.883 ( 0.271 -1.911 -7.371) 7.619 9.433 ( -4.302 -4.619 10.333) 12.109 9.738 ( -9.681 -0.428 4.322) 10.610 9.950 ( 16.502 -0.873 -2.284) 16.682 10.109 ( -1.085 6.826 0.002) 6.912 10.440 ( 17.942 -0.683 -13.532) 22.483 11.116 ( 2.670 2.182 -4.680) 5.813 11.255 ( 4.626 20.053 -28.303) 34.994 11.680 ( 0.864 1.779 -8.683) 8.905 12.327 ( 0.731 -2.848 -3.768) 4.780 13.342 ( -8.658 -3.807 24.093) 25.883 14.072 ( -11.231 -9.080 8.826) 16.926 ======================= Grid point 113 (50/275) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.072 0.000 6.718) 6.718 2.015 ( 15.014 0.000 5.609) 16.027 2.177 ( -7.680 -0.000 0.477) 7.695 2.364 ( -9.772 -0.000 6.056) 11.496 3.050 ( -15.972 -0.000 2.226) 16.126 3.084 ( 8.049 0.000 13.903) 16.065 3.756 ( -5.546 -0.000 2.575) 6.114 4.148 ( 5.559 0.000 6.624) 8.648 4.386 ( -9.803 -0.000 -3.839) 10.528 4.692 ( 2.998 0.000 -0.910) 3.133 5.277 ( 0.835 0.000 -1.307) 1.551 5.639 ( -3.578 -0.000 -14.419) 14.857 5.897 ( 2.420 0.000 5.610) 6.110 6.558 ( -7.624 -0.000 9.405) 12.107 6.625 ( 6.011 0.000 -8.131) 10.111 6.678 ( -14.869 -0.000 -3.140) 15.197 6.821 ( -11.902 -0.000 12.954) 17.592 7.309 ( 9.772 0.000 -4.854) 10.911 7.706 ( -2.722 -0.000 -7.988) 8.439 8.399 ( 10.138 0.000 -2.308) 10.397 8.503 ( 11.067 0.000 -0.357) 11.073 9.050 ( 2.082 0.000 4.042) 4.547 9.250 ( -5.255 -0.000 10.917) 12.116 9.476 ( -14.447 -0.000 -7.015) 16.060 9.890 ( 0.500 0.000 -0.761) 0.910 10.272 ( 6.412 0.000 0.450) 6.428 10.714 ( -7.978 -0.000 -3.373) 8.662 11.257 ( 1.425 0.000 -7.570) 7.703 11.523 ( 7.590 0.000 -16.608) 18.261 11.933 ( 5.364 0.000 -4.923) 7.281 12.672 ( 6.974 0.000 7.123) 9.968 13.277 ( -5.694 -0.000 18.149) 19.021 13.502 ( -5.300 -0.000 6.741) 8.575 ======================= Grid point 114 (51/275) ======================= q-point: (-0.56 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -2.538 0.417 6.644) 7.125 1.973 ( -8.196 12.872 8.854) 17.643 2.235 ( -3.072 -11.112 10.881) 15.852 2.405 ( 9.060 -9.806 -1.500) 13.435 2.731 ( -18.516 3.316 5.722) 19.662 3.262 ( 5.432 -3.268 12.168) 13.721 3.655 ( -6.825 0.760 3.072) 7.523 4.136 ( 0.502 13.977 2.119) 14.146 4.336 ( 5.036 4.055 -2.374) 6.888 4.770 ( 3.180 -7.631 -6.967) 10.811 5.240 ( -1.345 4.035 -1.791) 4.615 5.572 ( -0.915 -2.840 -7.616) 8.180 5.975 ( 2.957 -1.586 8.923) 9.533 6.274 ( -18.113 3.229 -0.149) 18.399 6.535 ( -16.507 -9.559 -2.355) 19.220 6.612 ( -2.031 -2.775 5.857) 6.792 6.846 ( 4.046 -1.965 4.268) 6.200 7.445 ( 7.875 1.305 0.295) 7.988 7.664 ( -0.316 -1.713 -8.303) 8.484 8.527 ( 11.978 7.587 -3.832) 14.687 8.674 ( 5.603 -1.979 1.699) 6.180 9.006 ( -3.342 5.121 -1.849) 6.388 9.269 ( 3.449 -0.618 6.470) 7.358 9.318 ( -3.495 -3.245 1.419) 4.976 9.904 ( -1.341 -3.176 -1.335) 3.697 10.363 ( 4.702 1.066 2.976) 5.666 10.575 ( -6.539 1.922 -4.983) 8.443 11.197 ( -7.306 -2.631 -10.180) 12.803 11.568 ( 4.981 1.030 -16.468) 17.236 11.958 ( -1.120 0.463 0.562) 1.336 12.699 ( 1.930 10.390 -0.445) 10.577 13.312 ( 2.650 -3.281 17.158) 17.668 13.494 ( -3.767 -6.129 9.467) 11.890 ======================= Grid point 115 (52/275) ======================= q-point: (-0.44 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -10.971 15.877 7.372) 20.659 1.784 ( -3.739 9.374 14.160) 17.388 2.306 ( -3.596 -3.019 18.483) 19.070 2.508 ( -6.276 -10.505 2.167) 12.427 2.738 ( 6.443 -19.341 -1.897) 20.474 3.378 ( 2.050 -1.146 10.145) 10.414 3.552 ( -6.462 -0.137 3.342) 7.276 3.882 ( -2.426 31.693 1.620) 31.827 4.394 ( 7.653 3.019 -1.599) 8.381 4.886 ( 3.718 -6.360 -9.234) 11.813 5.173 ( -1.098 3.028 -1.219) 3.444 5.683 ( 8.811 -8.943 -2.260) 12.756 5.966 ( -12.514 1.334 4.500) 13.365 6.081 ( -2.459 -4.711 4.387) 6.891 6.374 ( -15.562 -11.405 -2.845) 19.502 6.621 ( -2.218 -2.078 4.629) 5.538 6.961 ( 4.908 -4.425 3.787) 7.616 7.517 ( 3.239 2.148 2.869) 4.830 7.693 ( 3.324 -2.415 -7.404) 8.467 8.516 ( -3.451 10.719 6.418) 12.961 8.735 ( 7.692 3.794 -6.153) 10.556 8.960 ( 0.081 -2.367 -3.859) 4.528 9.286 ( 2.292 3.187 8.878) 9.707 9.494 ( 12.830 -5.019 -1.788) 13.892 9.885 ( -5.045 -2.869 -1.520) 6.000 10.364 ( -6.077 1.680 0.022) 6.304 10.478 ( 3.073 5.493 -2.226) 6.676 11.058 ( -9.348 -4.027 -9.109) 13.659 11.581 ( 4.311 1.649 -16.476) 17.110 11.907 ( -3.904 1.437 2.026) 4.627 12.574 ( -0.763 11.144 -4.135) 11.911 13.429 ( 1.908 1.507 15.771) 15.958 13.574 ( -1.972 -13.846 8.850) 16.551 ======================= Grid point 116 (53/275) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 3.727 19.897 12.085) 23.576 1.649 ( -2.818 13.787 17.791) 22.684 2.323 ( -1.811 -1.154 20.067) 20.182 2.658 ( 3.298 -14.772 2.744) 15.383 3.026 ( 0.073 -24.315 -4.309) 24.694 3.367 ( -8.083 13.973 0.499) 16.150 3.448 ( 1.469 14.274 8.894) 16.883 3.506 ( -4.878 10.424 6.072) 13.013 4.494 ( 8.305 2.887 2.831) 9.237 4.977 ( 4.538 -3.909 -10.247) 11.869 5.142 ( -0.085 0.176 -1.245) 1.261 5.767 ( -9.020 1.216 0.873) 9.143 5.954 ( 9.742 -3.125 2.239) 10.473 6.071 ( -12.782 -13.083 1.260) 18.334 6.352 ( 2.957 -10.727 -2.520) 11.409 6.617 ( -1.780 -2.031 2.482) 3.668 7.119 ( 6.240 -5.673 5.210) 9.913 7.540 ( 0.368 0.557 6.851) 6.883 7.763 ( 5.685 -1.009 -6.996) 9.071 8.316 ( -6.995 11.888 8.601) 16.255 8.800 ( 6.408 2.746 -10.025) 12.211 8.959 ( -2.165 1.976 -0.073) 2.932 9.319 ( -1.578 -1.509 9.399) 9.649 9.729 ( 8.112 -3.366 -1.188) 8.863 9.821 ( -2.614 -2.158 -2.412) 4.160 10.214 ( -5.285 2.355 -6.376) 8.610 10.476 ( 4.611 8.100 1.510) 9.442 11.001 ( 0.757 -4.203 -6.831) 8.056 11.581 ( 4.188 2.808 -17.620) 18.327 11.823 ( -4.199 2.548 -0.249) 4.918 12.437 ( -1.887 7.974 -5.609) 9.930 13.430 ( -3.230 3.373 15.742) 16.420 13.723 ( -2.991 -15.312 7.823) 17.453 ======================= Grid point 117 (54/275) ======================= q-point: (-0.22 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 24.277 12.877 12.146) 30.045 1.537 ( 4.113 14.411 20.695) 25.552 2.374 ( -2.031 -2.312 20.828) 21.054 2.793 ( 3.040 21.544 -2.374) 21.886 2.981 ( -2.178 7.000 9.938) 12.349 3.238 ( -5.618 -22.223 -4.561) 23.372 3.400 ( -4.216 0.805 -1.240) 4.468 3.446 ( -1.762 -2.022 11.347) 11.659 4.605 ( 5.384 1.041 7.667) 9.426 5.045 ( 2.972 -1.488 -8.476) 9.104 5.173 ( 3.802 -2.808 -3.672) 5.985 5.649 ( -2.727 2.539 -2.000) 4.229 5.942 ( -12.092 -7.588 5.191) 15.190 6.071 ( -0.083 -0.278 -2.088) 2.108 6.611 ( 3.750 -6.974 -3.816) 8.790 6.685 ( 11.216 -11.598 0.790) 16.153 7.275 ( 6.037 -1.013 1.229) 6.243 7.567 ( -2.667 -3.947 14.121) 14.903 7.863 ( 6.569 -1.104 -4.547) 8.065 8.122 ( -2.699 11.393 6.068) 13.188 8.724 ( -12.299 11.360 -2.286) 16.898 8.860 ( 0.067 0.540 -5.397) 5.424 9.323 ( -3.770 -5.354 9.316) 11.387 9.717 ( -10.734 -2.336 4.944) 12.046 9.922 ( 11.622 -2.120 -2.629) 12.103 10.181 ( 2.450 0.482 -7.308) 7.723 10.502 ( 10.576 6.474 -1.918) 12.547 11.114 ( 9.804 -1.693 -7.438) 12.422 11.537 ( 1.993 7.073 -20.427) 21.709 11.727 ( -2.867 2.288 -4.018) 5.440 12.321 ( -2.571 3.260 -5.529) 6.914 13.343 ( -9.443 2.676 19.032) 21.414 13.838 ( -3.356 -12.463 6.509) 14.455 ======================= Grid point 118 (55/275) ======================= q-point: (-0.11 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 6.258 12.296 15.251) 20.565 1.859 ( 26.242 10.745 11.185) 30.483 2.360 ( -3.658 9.482 22.921) 25.073 2.525 ( 9.085 20.933 3.735) 23.123 3.038 ( -4.089 -5.960 3.240) 7.920 3.302 ( -4.868 -6.757 0.410) 8.338 3.332 ( -5.326 -5.733 1.998) 8.076 3.555 ( 4.137 -10.233 2.684) 11.359 4.640 ( -5.105 -1.683 10.798) 12.062 5.059 ( -0.318 -1.095 -4.596) 4.735 5.300 ( 6.913 -4.434 -6.693) 10.595 5.625 ( 5.128 2.291 -5.207) 7.659 5.855 ( -8.656 -5.004 3.556) 10.612 6.035 ( -0.611 3.671 -1.906) 4.181 6.701 ( 2.582 -7.172 -3.581) 8.422 7.025 ( 10.413 -11.859 -2.752) 16.020 7.323 ( 3.017 3.664 -0.921) 4.835 7.585 ( -8.745 -2.834 16.221) 18.645 7.835 ( -2.447 6.521 -2.026) 7.254 8.155 ( 9.845 -1.451 1.267) 10.031 8.322 ( -15.605 14.005 4.388) 21.422 8.860 ( 0.862 -0.755 -6.620) 6.719 9.381 ( -0.484 -6.832 8.683) 11.059 9.577 ( -8.443 0.115 7.602) 11.361 10.139 ( 0.743 3.722 -1.699) 4.158 10.195 ( 14.489 -3.924 -1.629) 15.100 10.670 ( 14.439 -0.567 -7.554) 16.305 11.179 ( 0.337 10.182 -12.260) 15.940 11.375 ( -0.230 8.814 -18.616) 20.599 11.686 ( 1.469 0.563 -9.025) 9.161 12.287 ( -0.079 -4.360 -4.641) 6.368 13.208 ( -12.245 -1.206 24.348) 27.281 13.917 ( -1.525 -6.148 5.304) 8.262 ======================= Grid point 123 (56/275) ======================= q-point: ( 0.44 -0.56 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -0.314 -0.000 8.595) 8.601 2.030 ( -8.057 -0.000 14.275) 16.392 2.070 ( -1.037 -0.000 6.070) 6.158 2.433 ( -6.315 -0.000 8.048) 10.230 2.530 ( -1.685 -0.000 4.648) 4.944 3.355 ( 2.595 0.000 11.832) 12.113 3.554 ( -6.452 -0.000 0.719) 6.492 4.231 ( 4.104 0.000 -7.039) 8.148 4.520 ( 7.628 0.000 6.968) 10.332 4.752 ( 4.950 0.000 -12.928) 13.843 5.234 ( -1.804 -0.000 0.692) 1.932 5.544 ( 2.420 0.000 -3.758) 4.470 5.971 ( -16.779 -0.000 -1.850) 16.881 6.011 ( -2.833 -0.000 10.877) 11.239 6.264 ( -9.212 -0.000 -2.662) 9.589 6.598 ( -1.006 -0.000 6.223) 6.304 6.908 ( 3.509 0.000 4.459) 5.674 7.555 ( 4.053 0.000 3.419) 5.302 7.649 ( 3.025 0.000 -10.088) 10.532 8.682 ( -3.522 -0.000 9.267) 9.914 8.754 ( 10.834 0.000 -8.032) 13.486 8.925 ( -5.932 -0.000 -4.913) 7.702 9.325 ( 1.666 0.000 9.025) 9.177 9.419 ( 14.528 0.000 -1.821) 14.642 9.855 ( -3.645 -0.000 -0.847) 3.742 10.389 ( -4.800 -0.000 1.428) 5.008 10.538 ( 3.526 0.000 -2.296) 4.207 11.007 ( -9.550 -0.000 -10.126) 13.919 11.599 ( 3.980 0.000 -15.612) 16.111 11.920 ( -3.949 -0.000 2.522) 4.685 12.741 ( -2.518 -0.000 -7.129) 7.561 13.340 ( 1.115 0.000 13.047) 13.095 13.490 ( -0.141 -0.000 13.262) 13.263 ======================= Grid point 125 (57/275) ======================= q-point: (-0.44 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 1.806 14.393 9.869) 17.545 1.883 ( -0.625 10.479 13.319) 16.959 2.232 ( -0.222 -13.929 13.957) 19.720 2.384 ( -0.289 -4.073 13.183) 13.801 2.618 ( 0.621 -10.832 -0.756) 10.876 3.389 ( -3.921 -1.461 13.392) 14.031 3.458 ( -4.587 0.495 -3.303) 5.674 4.159 ( 0.221 21.216 -4.755) 21.744 4.571 ( 5.603 5.493 5.797) 9.755 4.864 ( 6.008 -6.607 -13.900) 16.522 5.184 ( -1.706 3.417 2.265) 4.440 5.619 ( -5.149 -12.912 -4.279) 14.544 5.874 ( 5.610 -0.659 2.135) 6.038 5.924 ( -7.988 -2.440 7.120) 10.976 6.221 ( 1.468 -2.264 -3.068) 4.085 6.597 ( -1.428 -0.106 5.621) 5.800 7.000 ( 3.804 -3.829 7.991) 9.643 7.587 ( 1.177 2.589 3.485) 4.499 7.710 ( 5.318 -2.838 -8.651) 10.544 8.564 ( -5.922 9.727 9.380) 14.754 8.859 ( 4.075 1.802 -11.275) 12.124 8.902 ( 2.091 -5.325 0.161) 5.723 9.334 ( -3.947 1.643 9.945) 10.825 9.661 ( 12.803 -2.387 -3.746) 13.551 9.758 ( -9.332 -2.280 -0.443) 9.617 10.282 ( -4.692 2.579 -3.224) 6.249 10.605 ( 5.364 3.511 2.360) 6.832 10.910 ( 0.980 -3.192 -9.645) 10.207 11.615 ( 3.919 0.729 -15.258) 15.770 11.852 ( -4.827 0.541 1.433) 5.064 12.626 ( -2.774 7.307 -9.351) 12.187 13.417 ( -2.750 -7.771 11.076) 13.807 13.509 ( -1.420 0.007 13.034) 13.111 ======================= Grid point 126 (58/275) ======================= q-point: (-0.33 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 10.862 11.731 10.541) 19.150 1.820 ( 4.218 12.557 16.604) 21.240 2.331 ( -2.053 -3.270 19.269) 19.652 2.631 ( 12.003 -12.182 6.168) 18.180 2.748 ( -3.586 -17.576 1.056) 17.969 3.325 ( -11.351 -3.955 11.954) 16.953 3.376 ( -1.893 5.661 -4.251) 7.328 3.831 ( -1.472 29.951 -1.621) 30.031 4.632 ( 2.328 1.199 8.238) 8.645 4.973 ( 4.693 -4.530 -15.206) 16.546 5.158 ( 0.836 0.391 2.340) 2.516 5.620 ( -4.498 -7.818 -4.115) 9.914 5.795 ( -6.721 -1.265 4.318) 8.088 6.108 ( 8.922 1.935 1.184) 9.206 6.366 ( 12.204 -11.412 -3.860) 17.148 6.591 ( -1.044 -0.750 3.983) 4.185 7.157 ( 4.418 -7.585 11.800) 14.706 7.569 ( -1.386 2.667 5.345) 6.132 7.814 ( 5.966 -3.130 -6.513) 9.371 8.388 ( -3.409 12.309 6.870) 14.503 8.853 ( 0.625 1.904 -11.704) 11.874 8.927 ( -6.422 2.508 2.126) 7.215 9.247 ( -4.040 0.076 9.098) 9.955 9.627 ( -11.576 -6.060 4.165) 13.714 9.845 ( 7.491 -4.205 -3.854) 9.415 10.211 ( 0.978 2.402 -4.892) 5.537 10.644 ( 5.865 5.755 1.944) 8.444 11.052 ( 13.635 -3.612 -10.677) 17.691 11.620 ( 3.395 1.885 -15.873) 16.341 11.761 ( -5.715 0.853 -0.862) 5.843 12.461 ( -4.086 8.475 -9.463) 13.344 13.392 ( -9.368 0.007 13.902) 16.764 13.585 ( 0.566 -9.127 9.747) 13.366 ======================= Grid point 127 (59/275) ======================= q-point: (-0.22 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 1.938 9.259 12.652) 15.798 1.995 ( 20.185 4.746 15.101) 25.652 2.367 ( -2.868 -1.419 14.977) 15.315 2.861 ( -3.831 -14.390 4.334) 15.509 2.954 ( 5.431 -11.109 6.805) 14.114 3.175 ( -1.948 23.622 0.617) 23.710 3.227 ( -7.876 -5.085 5.350) 10.794 3.620 ( 6.816 13.209 -1.729) 14.964 4.631 ( -4.753 0.356 10.002) 11.079 5.009 ( -0.430 -3.100 -12.828) 13.205 5.213 ( 1.228 -4.704 2.671) 5.547 5.652 ( 4.700 -1.296 -6.100) 7.809 5.752 ( -2.002 -1.198 2.312) 3.284 6.150 ( 4.224 5.644 -0.893) 7.106 6.583 ( 0.730 -3.471 -1.327) 3.787 6.753 ( 13.086 -12.717 -0.621) 18.258 7.334 ( 3.451 -5.741 9.511) 11.633 7.519 ( -4.943 0.648 9.565) 10.786 7.906 ( 2.195 -0.874 -1.366) 2.729 8.254 ( 1.265 10.040 0.603) 10.137 8.590 ( -15.800 10.626 1.151) 19.075 8.864 ( 0.757 1.157 -5.231) 5.411 9.249 ( -5.060 -4.890 5.330) 8.828 9.567 ( -2.709 -1.812 7.838) 8.489 10.043 ( 11.167 -8.921 -2.521) 14.514 10.199 ( 0.449 1.724 -3.266) 3.721 10.702 ( 7.450 2.990 -0.931) 8.081 11.281 ( 14.493 1.067 -13.959) 20.151 11.546 ( -4.447 5.829 -14.103) 15.895 11.685 ( -0.626 -0.790 -7.068) 7.139 12.278 ( -6.189 4.054 -7.121) 10.269 13.241 ( -11.982 2.798 18.414) 22.147 13.741 ( 2.984 -9.331 7.535) 12.359 ======================= Grid point 128 (60/275) ======================= q-point: (-0.11 0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 3.585 7.612 11.744) 14.447 2.300 ( 2.502 -8.085 16.822) 18.831 2.346 ( 6.519 9.364 6.021) 12.901 2.838 ( -6.110 10.950 5.150) 13.556 2.943 ( -4.705 5.339 0.349) 7.125 3.051 ( -4.248 -12.866 11.834) 17.990 3.296 ( 6.529 -0.999 -0.291) 6.611 3.731 ( 15.769 3.124 0.038) 16.075 4.550 ( -7.241 0.332 10.785) 12.994 4.963 ( -5.711 -3.337 -8.015) 10.391 5.256 ( -5.682 -6.711 2.588) 9.166 5.741 ( 0.896 -0.370 -5.222) 5.311 5.784 ( 12.227 0.436 -6.738) 13.967 6.150 ( 5.708 9.181 2.861) 11.183 6.644 ( 1.085 -7.140 -4.099) 8.304 7.025 ( 4.506 -8.633 -1.327) 9.828 7.399 ( 2.088 2.083 1.660) 3.384 7.435 ( -12.302 -0.094 13.764) 18.461 7.859 ( -1.221 4.178 -0.967) 4.459 8.180 ( -7.510 3.636 6.266) 10.434 8.375 ( 4.992 7.479 -1.335) 9.091 8.857 ( 1.164 0.159 -4.867) 5.007 9.233 ( -7.139 -9.935 5.635) 13.470 9.587 ( 2.025 2.980 8.284) 9.033 10.149 ( -2.014 2.199 -1.044) 3.159 10.379 ( 17.089 -8.860 -2.131) 19.367 10.815 ( 7.849 -2.533 -7.795) 11.349 11.242 ( -8.688 13.879 -9.961) 19.166 11.395 ( 3.400 5.533 -15.869) 17.146 11.689 ( 2.124 -0.551 -10.644) 10.868 12.195 ( -3.070 -6.086 -3.777) 7.793 13.095 ( -9.168 1.719 23.365) 25.158 13.892 ( 3.099 -4.934 5.796) 8.219 ======================= Grid point 134 (61/275) ======================= q-point: (-0.44 0.56 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.250 0.000 10.839) 10.842 2.081 ( 1.484 0.000 15.994) 16.063 2.162 ( 4.606 0.000 9.289) 10.368 2.501 ( 14.298 0.000 13.330) 19.548 2.561 ( -0.633 -0.000 5.599) 5.635 3.275 ( -12.056 -0.000 10.652) 16.088 3.424 ( -0.029 -0.000 -4.208) 4.208 4.228 ( -6.330 -0.000 -4.196) 7.594 4.650 ( -0.733 -0.000 9.305) 9.334 4.893 ( 7.798 0.000 -19.313) 20.828 5.168 ( -5.183 -0.000 6.744) 8.505 5.487 ( 2.553 0.000 -6.174) 6.681 5.805 ( -4.340 -0.000 5.081) 6.683 6.126 ( 19.930 0.000 3.167) 20.180 6.232 ( 2.536 0.000 -6.036) 6.547 6.592 ( -1.614 -0.000 7.281) 7.457 7.059 ( 3.026 0.000 12.344) 12.709 7.611 ( -1.740 -0.000 5.195) 5.479 7.768 ( 6.763 0.000 -8.345) 10.741 8.557 ( -5.157 -0.000 8.155) 9.648 8.850 ( 1.461 0.000 -5.354) 5.550 8.932 ( -1.017 -0.000 -6.114) 6.198 9.300 ( -1.327 -0.000 10.805) 10.886 9.520 ( -17.016 -0.000 1.710) 17.102 9.795 ( 6.407 0.000 -3.673) 7.385 10.245 ( -0.986 -0.000 -3.203) 3.351 10.713 ( 4.001 0.000 3.898) 5.586 11.002 ( 15.828 0.000 -13.042) 20.509 11.639 ( 3.592 0.000 -14.631) 15.065 11.769 ( -6.346 -0.000 -0.254) 6.351 12.580 ( -4.603 -0.000 -13.100) 13.885 13.340 ( -5.445 -0.000 11.851) 13.042 13.516 ( -1.673 -0.000 13.863) 13.963 ======================= Grid point 136 (62/275) ======================= q-point: (-0.33 0.56 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -0.612 2.815 10.659) 11.041 2.069 ( -1.030 1.355 13.159) 13.269 2.305 ( 4.478 -2.951 8.932) 10.418 2.613 ( -0.317 -5.053 15.485) 16.292 2.872 ( 20.967 0.121 8.994) 22.815 3.104 ( -12.690 -4.806 8.727) 16.133 3.413 ( 1.951 3.133 -5.332) 6.485 4.008 ( -5.157 14.754 -2.817) 15.881 4.643 ( -3.421 0.536 9.683) 10.283 4.951 ( 2.914 -2.136 -18.906) 19.248 5.097 ( -8.068 -4.554 7.186) 11.725 5.604 ( 11.505 -1.503 -7.854) 14.011 5.788 ( 0.912 2.119 4.838) 5.359 6.242 ( 4.956 2.720 -8.388) 10.115 6.508 ( 18.970 -6.622 0.986) 20.117 6.580 ( -2.087 0.209 7.842) 8.117 7.171 ( 1.863 -6.037 16.228) 17.414 7.566 ( -4.161 1.829 5.146) 6.866 7.865 ( 5.754 -1.635 -3.830) 7.103 8.467 ( -2.650 7.373 3.107) 8.428 8.743 ( -14.187 3.248 -4.689) 15.291 8.878 ( 0.188 -0.576 -0.705) 0.930 9.224 ( -11.827 2.853 2.986) 12.528 9.485 ( 9.241 -5.169 7.436) 12.939 9.876 ( 3.674 -4.930 -2.799) 6.756 10.229 ( 0.279 0.873 -2.336) 2.509 10.760 ( 2.712 1.738 1.922) 3.751 11.271 ( 19.524 -0.953 -15.370) 24.866 11.627 ( -4.525 2.278 -8.747) 10.108 11.662 ( -1.601 -1.219 -8.894) 9.119 12.400 ( -9.759 4.843 -11.189) 15.617 13.277 ( -7.716 0.212 13.721) 15.744 13.581 ( 3.195 -4.307 12.566) 13.662 ======================= Grid point 137 (63/275) ======================= q-point: (-0.22 0.56 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -1.109 3.462 10.754) 11.351 2.083 ( -8.954 -11.241 10.158) 17.599 2.444 ( 9.069 1.951 4.118) 10.149 2.710 ( -1.023 -5.811 17.453) 18.424 2.878 ( -12.319 -3.127 14.343) 19.164 3.257 ( 10.070 1.835 5.204) 11.482 3.371 ( 4.980 10.285 -5.569) 12.712 3.879 ( 9.249 10.463 -1.210) 14.017 4.582 ( -4.830 2.601 9.160) 10.676 4.900 ( -6.743 -2.480 -11.490) 13.551 5.069 ( -6.240 -9.413 2.065) 11.481 5.775 ( 3.930 2.906 -2.656) 5.563 5.814 ( 12.065 1.494 -5.945) 13.533 6.298 ( 8.990 3.306 -5.968) 11.286 6.555 ( -2.677 -0.218 7.154) 7.642 6.845 ( 12.288 -6.601 0.228) 13.951 7.310 ( -1.019 -8.176 15.925) 17.931 7.472 ( -5.982 2.439 3.904) 7.549 7.935 ( 1.848 1.412 0.233) 2.337 8.294 ( -8.812 8.431 0.298) 12.199 8.529 ( -3.127 4.157 0.187) 5.205 8.878 ( 0.883 1.246 -2.816) 3.204 9.063 ( -9.425 -4.762 2.987) 10.974 9.658 ( 6.577 4.146 6.046) 9.849 10.080 ( 8.380 -11.591 -0.994) 14.338 10.229 ( 3.914 -1.091 -0.962) 4.175 10.791 ( 2.888 -0.022 -3.200) 4.310 11.423 ( -12.698 3.830 -4.158) 13.900 11.491 ( 12.727 2.872 -20.345) 24.169 11.663 ( 2.392 -1.579 -12.966) 13.279 12.156 ( -10.788 2.082 -5.027) 12.083 13.176 ( -6.123 4.590 17.635) 19.223 13.755 ( 6.000 -6.809 9.679) 13.268 ======================= Grid point 138 (64/275) ======================= q-point: (-0.11 -0.44 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -2.827 1.258 10.340) 10.793 2.077 ( -11.132 -14.371 7.848) 19.800 2.475 ( -6.020 -1.311 -1.679) 6.386 2.806 ( -4.332 -3.896 16.646) 17.636 2.844 ( 4.737 -0.117 15.154) 15.877 3.194 ( 3.193 16.346 3.463) 17.011 3.436 ( 7.767 2.999 -3.521) 9.040 3.976 ( 6.376 3.722 2.846) 7.912 4.483 ( -9.654 0.913 5.858) 11.329 4.803 ( -2.002 -3.357 -4.427) 5.905 5.089 ( -2.931 -7.164 -1.640) 7.912 5.751 ( -0.145 1.839 -5.208) 5.525 5.982 ( 11.773 3.348 -8.822) 15.088 6.405 ( 9.765 8.874 10.163) 16.655 6.572 ( 1.851 -6.656 -4.643) 8.324 7.006 ( 0.976 -1.591 0.604) 1.962 7.281 ( -11.489 1.108 8.790) 14.509 7.437 ( 1.504 -1.603 3.089) 3.791 7.887 ( -0.547 4.599 -0.563) 4.665 8.113 ( -7.957 3.491 7.048) 11.188 8.503 ( 2.631 2.515 -1.356) 3.883 8.873 ( 1.151 1.120 -2.383) 2.873 9.052 ( -2.353 -8.685 2.588) 9.363 9.669 ( -0.576 4.846 5.479) 7.338 10.116 ( -3.336 -0.393 -0.545) 3.403 10.537 ( 15.316 -9.524 -3.386) 18.351 10.837 ( 3.346 -3.381 -13.245) 14.074 11.120 ( -15.309 5.696 -0.895) 16.359 11.528 ( 7.596 6.986 -15.372) 18.515 11.679 ( 1.470 -0.988 -12.289) 12.416 12.053 ( -4.286 -6.863 -1.076) 8.163 13.101 ( -2.763 5.790 21.203) 22.153 13.929 ( 4.638 -3.681 7.861) 9.842 ======================= Grid point 145 (65/275) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -2.995 -0.000 10.692) 11.104 1.935 ( -13.371 -0.000 7.882) 15.521 2.460 ( 9.756 0.000 5.814) 11.357 2.675 ( 3.284 0.000 21.951) 22.195 2.836 ( -16.618 -0.000 11.487) 20.202 3.265 ( 17.149 0.000 8.876) 19.310 3.470 ( 5.178 0.000 -7.745) 9.316 4.031 ( 1.959 0.000 -1.363) 2.386 4.633 ( -0.645 -0.000 8.677) 8.701 4.858 ( -14.216 -0.000 -2.150) 14.378 4.949 ( -1.449 -0.000 -9.508) 9.618 5.818 ( 17.341 0.000 -11.024) 20.549 5.830 ( 0.032 0.000 3.003) 3.003 6.319 ( 7.970 0.000 -11.989) 14.397 6.566 ( -3.282 -0.000 12.430) 12.856 6.791 ( 17.817 0.000 2.046) 17.934 7.189 ( -1.182 -0.000 18.513) 18.551 7.499 ( -7.007 -0.000 4.137) 8.137 7.943 ( 5.342 0.000 -0.028) 5.342 8.465 ( -4.026 -0.000 0.112) 4.028 8.504 ( -14.750 -0.000 -0.980) 14.783 8.888 ( 1.307 0.000 -1.165) 1.751 9.035 ( -9.473 -0.000 2.017) 9.685 9.768 ( 20.228 0.000 6.573) 21.269 9.858 ( 0.067 0.000 -2.228) 2.229 10.229 ( -0.056 -0.000 -0.657) 0.659 10.794 ( 1.087 0.000 -2.232) 2.483 11.456 ( -13.348 -0.000 -0.445) 13.355 11.515 ( 15.588 0.000 -19.473) 24.944 11.646 ( 1.958 0.000 -16.919) 17.032 12.198 ( -14.174 -0.000 -6.401) 15.552 13.238 ( -2.829 -0.000 13.936) 14.221 13.666 ( 6.024 0.000 12.991) 14.320 ======================= Grid point 146 (66/275) ======================= q-point: (-0.22 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -17.032 -7.769 7.085) 20.016 1.823 ( -6.666 -2.524 11.959) 13.922 2.500 ( -8.158 1.878 -3.236) 8.975 2.740 ( 2.824 -1.381 19.797) 20.045 2.816 ( 4.774 -1.400 21.113) 21.691 3.423 ( 3.333 3.525 6.079) 7.777 3.526 ( 7.167 3.937 -8.494) 11.791 4.081 ( 3.989 4.396 4.020) 7.169 4.523 ( -19.829 2.247 2.852) 20.159 4.741 ( 6.548 -2.286 0.959) 7.001 4.942 ( 0.651 -4.899 -10.242) 11.372 5.794 ( -2.755 1.610 -1.821) 3.674 6.051 ( 15.678 1.963 -13.017) 20.472 6.455 ( 11.407 -1.534 -8.697) 14.426 6.548 ( -2.317 1.727 18.384) 18.609 7.018 ( 10.429 3.398 1.906) 11.133 7.234 ( -4.467 -5.224 13.460) 15.114 7.385 ( -6.669 -1.493 2.359) 7.230 8.007 ( 3.328 3.832 1.084) 5.190 8.224 ( -10.318 8.292 3.109) 13.597 8.441 ( -6.863 -8.438 0.883) 10.912 8.903 ( 1.311 1.005 -0.405) 1.701 8.971 ( 1.354 0.421 -1.515) 2.075 9.795 ( 0.124 6.688 0.849) 6.742 10.062 ( -0.567 -5.344 1.851) 5.684 10.323 ( 13.955 -6.759 1.445) 15.573 10.795 ( 0.769 -0.668 -9.486) 9.540 11.196 ( -17.116 1.444 -2.999) 17.437 11.614 ( 3.968 1.570 -19.554) 20.014 11.664 ( 5.838 -0.614 -13.911) 15.099 11.985 ( -9.418 -0.402 1.234) 9.507 13.238 ( 0.828 5.104 14.681) 15.565 13.830 ( 6.686 -3.993 12.354) 14.603 ======================= Grid point 147 (67/275) ======================= q-point: (-0.11 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -17.544 -11.773 6.777) 22.188 1.796 ( -10.028 -12.810 12.670) 20.620 2.312 ( -10.017 3.006 1.544) 10.572 2.815 ( -1.965 1.543 14.482) 14.696 2.998 ( 7.499 -2.099 18.523) 20.093 3.392 ( 1.294 9.348 2.668) 9.807 3.552 ( 2.418 4.180 -4.510) 6.608 4.046 ( -2.470 5.355 5.398) 7.995 4.190 ( -18.906 -2.915 -0.840) 19.148 4.874 ( 6.049 -0.409 -6.130) 8.622 5.061 ( 10.226 -4.186 -4.185) 11.816 5.728 ( -2.278 0.609 -3.656) 4.350 6.169 ( 6.845 4.707 -5.855) 10.163 6.506 ( -2.493 3.569 14.468) 15.109 6.721 ( 17.738 -2.042 -3.591) 18.212 7.041 ( -1.256 7.914 -0.586) 8.034 7.134 ( -9.201 -0.930 5.084) 10.553 7.430 ( 1.971 -6.316 1.847) 6.869 7.937 ( -2.476 7.873 1.369) 8.366 8.043 ( -7.254 4.444 6.108) 10.473 8.457 ( -3.599 -8.718 3.206) 9.962 8.905 ( 1.258 1.997 -0.732) 2.471 9.042 ( 7.086 -1.147 -2.891) 7.739 9.683 ( -6.899 7.011 1.924) 10.023 10.018 ( -5.743 -4.380 -1.486) 7.374 10.613 ( 5.047 -5.031 -7.581) 10.405 10.795 ( -3.056 -0.312 -13.558) 13.902 10.927 ( -6.886 -4.901 3.806) 9.269 11.637 ( 2.323 -2.634 -17.505) 17.854 11.674 ( 5.183 3.729 -9.353) 11.324 11.949 ( 0.390 -4.579 3.032) 5.505 13.227 ( 1.368 8.502 17.354) 19.373 14.001 ( 5.192 -2.497 11.958) 13.273 ======================= Grid point 155 (68/275) ======================= q-point: (-0.22 -0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -21.029 -0.000 9.415) 23.041 1.682 ( -14.222 -0.000 13.219) 19.417 2.352 ( -8.470 -0.000 3.058) 9.005 2.838 ( -0.605 -0.000 13.234) 13.248 2.971 ( 7.292 0.000 21.072) 22.298 3.468 ( -1.427 -0.000 5.109) 5.305 3.619 ( 3.195 0.000 -8.522) 9.102 4.123 ( -2.516 -0.000 7.095) 7.528 4.155 ( -19.478 -0.000 -1.309) 19.522 4.894 ( 1.501 0.000 -12.684) 12.773 4.983 ( 17.471 0.000 -0.272) 17.473 5.737 ( -3.684 -0.000 -2.577) 4.496 6.210 ( 5.029 0.000 -7.727) 9.219 6.618 ( 11.197 0.000 -1.280) 11.270 6.640 ( 8.390 0.000 14.900) 17.100 7.111 ( -10.625 -0.000 4.304) 11.463 7.223 ( 8.820 0.000 -1.910) 9.025 7.260 ( -5.918 -0.000 5.240) 7.905 8.091 ( 0.278 0.000 4.056) 4.065 8.189 ( -6.177 -0.000 6.352) 8.860 8.201 ( -7.840 -0.000 -0.054) 7.840 8.934 ( 1.512 0.000 0.250) 1.533 9.052 ( 7.795 0.000 -4.127) 8.820 9.808 ( -2.259 -0.000 -2.110) 3.092 9.932 ( -11.941 -0.000 0.187) 11.942 10.507 ( 10.432 0.000 1.053) 10.485 10.771 ( 1.927 0.000 -12.878) 13.021 10.908 ( -18.304 -0.000 -1.581) 18.372 11.607 ( 2.112 0.000 -17.783) 17.908 11.710 ( 3.403 0.000 -13.710) 14.126 11.908 ( 0.299 0.000 6.577) 6.583 13.345 ( 3.270 0.000 11.656) 12.106 13.953 ( 6.526 0.000 16.247) 17.509 ======================= Grid point 156 (69/275) ======================= q-point: (-0.11 -0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -19.837 -13.073 9.909) 25.741 1.480 ( -19.483 -7.906 15.875) 26.346 2.242 ( -7.252 3.356 6.688) 10.421 2.676 ( -23.611 -1.411 14.916) 27.964 3.146 ( 6.687 0.421 19.799) 20.902 3.427 ( -3.739 1.044 2.732) 4.747 3.562 ( -2.455 3.560 -5.466) 6.970 4.029 ( 1.024 1.858 -3.660) 4.230 4.082 ( 0.374 1.649 2.115) 2.708 4.896 ( 2.698 -0.434 -10.146) 10.508 5.230 ( 12.190 -0.754 -6.105) 13.654 5.696 ( -0.290 -0.673 -0.957) 1.206 6.213 ( -2.781 -0.090 6.303) 6.890 6.661 ( 1.660 14.846 12.136) 19.246 6.897 ( 3.741 -0.971 -9.259) 10.033 6.982 ( 3.393 -8.304 3.559) 9.650 7.141 ( -0.501 7.664 0.491) 7.696 7.373 ( 0.906 -8.766 -2.271) 9.100 7.943 ( -8.069 9.484 9.061) 15.400 8.066 ( -0.004 7.047 1.338) 7.173 8.291 ( -2.751 -12.613 5.099) 13.880 8.943 ( 0.906 1.624 -1.042) 2.131 9.178 ( 9.950 0.776 -4.204) 10.830 9.604 ( -14.340 9.406 -2.566) 17.340 9.841 ( -5.002 -9.581 -3.140) 11.255 10.569 ( -3.926 -0.697 -5.868) 7.094 10.619 ( -12.782 1.676 -3.917) 13.474 10.870 ( 6.388 -9.535 -5.406) 12.687 11.556 ( -3.859 -0.912 -18.165) 18.593 11.712 ( 1.485 -0.944 -11.640) 11.772 12.038 ( 11.484 -0.938 5.475) 12.757 13.384 ( 1.883 6.628 12.950) 14.669 14.123 ( 7.556 -0.515 20.084) 21.465 ======================= Grid point 165 (70/275) ======================= q-point: (-0.11 -0.11 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -19.585 -0.000 14.902) 24.610 1.140 ( -22.937 -0.000 20.085) 30.488 1.920 ( -41.658 -0.000 14.377) 44.069 2.449 ( -1.217 -0.000 21.889) 21.923 3.306 ( 2.909 0.000 19.552) 19.768 3.356 ( -3.417 -0.000 2.435) 4.195 3.541 ( -1.770 -0.000 -12.889) 13.010 4.072 ( -2.005 -0.000 4.744) 5.150 4.137 ( 8.808 0.000 -8.276) 12.086 4.916 ( 3.410 0.000 -9.319) 9.923 5.359 ( 6.745 0.000 -10.746) 12.688 5.718 ( 4.198 0.000 0.994) 4.314 6.176 ( -4.610 -0.000 13.959) 14.700 6.627 ( -16.037 -0.000 -0.258) 16.039 6.941 ( 1.430 0.000 10.985) 11.078 7.124 ( 12.383 0.000 1.271) 12.448 7.194 ( 6.389 0.000 -9.744) 11.652 7.274 ( -3.525 -0.000 -4.431) 5.662 7.976 ( 1.202 0.000 8.202) 8.289 8.141 ( -0.419 -0.000 15.073) 15.078 8.166 ( -1.729 -0.000 -5.329) 5.603 8.937 ( -2.649 -0.000 -3.633) 4.496 9.330 ( 9.757 0.000 -3.850) 10.489 9.375 ( -18.259 -0.000 -6.326) 19.324 9.719 ( -1.335 -0.000 -3.057) 3.336 10.395 ( -13.272 -0.000 2.982) 13.603 10.524 ( -1.514 -0.000 -6.812) 6.978 10.848 ( 0.281 0.000 -16.189) 16.191 11.379 ( -11.511 -0.000 -17.394) 20.858 11.686 ( 0.449 0.000 -11.269) 11.278 12.238 ( 11.002 0.000 1.675) 11.129 13.474 ( 0.702 0.000 10.400) 10.424 14.377 ( 16.366 0.000 29.342) 33.598 ======================= Grid point 166 (71/275) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -6.694 -0.000 23.771) 24.696 1.043 ( 7.290 0.000 24.483) 25.545 1.951 ( -6.969 -0.000 37.761) 38.398 3.071 ( -5.514 -0.000 -7.683) 9.457 3.156 ( -8.081 -0.000 16.510) 18.382 3.506 ( 3.961 0.000 4.324) 5.865 3.819 ( -1.394 -0.000 2.875) 3.195 4.264 ( -6.001 -0.000 30.144) 30.736 4.360 ( 19.666 0.000 -2.058) 19.773 4.930 ( 4.465 0.000 -3.369) 5.594 5.103 ( 1.171 0.000 -14.778) 14.825 5.848 ( -8.174 -0.000 7.378) 11.011 6.240 ( -6.553 -0.000 0.357) 6.562 6.336 ( -9.026 -0.000 11.862) 14.905 6.896 ( -1.604 -0.000 -6.641) 6.832 7.019 ( -0.564 -0.000 -2.278) 2.347 7.372 ( 2.306 0.000 -3.560) 4.241 7.412 ( 6.951 0.000 -9.824) 12.034 7.809 ( -10.470 -0.000 -2.645) 10.799 7.914 ( -2.302 -0.000 2.566) 3.447 8.349 ( 8.266 0.000 2.719) 8.701 8.800 ( -3.540 -0.000 -11.334) 11.874 9.464 ( 23.172 0.000 12.728) 26.438 9.549 ( 4.401 0.000 0.866) 4.485 9.739 ( 9.641 0.000 -3.005) 10.099 10.070 ( -10.789 -0.000 4.794) 11.806 10.183 ( -8.047 -0.000 5.487) 9.740 10.559 ( -0.164 -0.000 2.956) 2.961 11.075 ( -1.829 -0.000 -0.735) 1.971 11.385 ( 1.901 0.000 -14.504) 14.628 12.287 ( 1.254 0.000 -5.672) 5.809 13.809 ( -0.293 -0.000 15.059) 15.062 14.732 ( -13.816 -0.000 -7.162) 15.562 ======================= Grid point 167 (72/275) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 0.700 -17.487 18.580) 25.525 1.410 ( 21.107 -3.677 21.082) 30.058 2.090 ( 9.627 -4.991 33.870) 35.564 2.978 ( -3.476 -0.703 -9.384) 10.032 3.086 ( -6.364 1.743 24.483) 25.357 3.406 ( -9.163 4.342 -4.981) 11.297 3.749 ( -4.389 5.013 0.547) 6.685 4.227 ( -7.712 2.525 31.098) 32.140 4.724 ( 23.641 0.832 -2.390) 23.776 4.931 ( -1.715 0.714 -3.982) 4.394 5.096 ( 2.925 0.212 -14.255) 14.553 5.695 ( -9.713 3.114 9.006) 13.607 6.081 ( -9.248 2.921 0.450) 9.708 6.213 ( -13.385 -3.056 8.466) 16.130 6.829 ( 1.763 7.346 -9.048) 11.787 7.056 ( 5.092 -0.263 -1.115) 5.219 7.352 ( 5.991 16.918 -1.023) 17.976 7.423 ( -0.145 -8.768 -8.022) 11.884 7.774 ( -6.736 -11.539 0.299) 13.364 8.015 ( 0.961 -11.540 3.711) 12.160 8.428 ( 3.880 4.798 4.293) 7.517 8.754 ( 0.699 -0.264 -8.155) 8.189 9.618 ( 2.184 -2.049 2.471) 3.882 9.834 ( 13.300 3.647 -1.026) 13.829 9.950 ( 1.668 0.051 0.175) 1.678 9.962 ( 14.873 -3.010 -2.931) 15.455 10.102 ( -5.107 -4.400 5.348) 8.605 10.583 ( -3.193 -6.949 -1.862) 7.871 11.100 ( 5.491 0.416 0.158) 5.509 11.394 ( 2.216 -2.290 -14.071) 14.428 12.285 ( 1.992 1.795 -6.231) 6.783 13.832 ( -1.171 2.372 16.056) 16.272 14.399 ( -19.374 5.018 2.404) 20.157 ======================= Grid point 168 (73/275) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 7.088 -23.305 10.330) 26.459 1.770 ( 7.576 -11.024 19.497) 23.645 2.509 ( 22.500 -1.394 21.069) 30.856 2.915 ( -3.412 -1.800 -10.459) 11.148 3.025 ( -7.991 4.121 29.653) 30.986 3.229 ( -1.985 0.164 -10.585) 10.770 3.593 ( -5.562 8.365 1.538) 10.162 4.140 ( -7.144 6.462 30.106) 31.609 4.825 ( -4.988 2.147 1.824) 5.729 5.048 ( 9.653 3.659 -4.737) 11.358 5.133 ( 10.565 -1.841 -9.960) 14.636 5.565 ( -3.713 1.679 3.052) 5.091 5.945 ( -4.791 0.128 -1.029) 4.902 6.016 ( -15.902 -1.212 6.065) 17.062 6.769 ( 3.489 7.802 -7.566) 11.415 7.171 ( 6.888 0.086 1.020) 6.964 7.258 ( 0.869 8.102 -1.837) 8.353 7.448 ( -9.325 -13.436 -7.862) 18.147 7.834 ( 2.759 -2.468 3.432) 5.048 8.131 ( -1.115 -9.488 4.965) 10.767 8.412 ( -0.782 4.867 6.163) 7.892 8.767 ( 2.734 0.409 -4.561) 5.334 9.672 ( 0.065 -2.393 6.698) 7.113 9.760 ( -4.123 8.249 7.021) 11.590 10.044 ( 0.202 -2.423 -1.103) 2.670 10.204 ( 17.081 -0.321 -4.893) 17.771 10.240 ( 7.237 -8.091 -12.366) 16.455 10.606 ( -0.155 -8.735 -8.432) 12.142 11.202 ( 5.187 -0.466 1.149) 5.333 11.419 ( 1.993 -2.854 -13.387) 13.833 12.278 ( 3.631 4.759 -7.744) 9.788 13.777 ( -6.589 6.593 18.603) 20.808 14.129 ( -9.907 1.157 7.137) 12.264 ======================= Grid point 169 (74/275) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 8.009 -15.464 7.999) 19.164 2.069 ( 4.844 -21.467 13.588) 25.864 2.644 ( -8.298 4.042 3.217) 9.775 2.832 ( -4.474 -2.553 -10.867) 12.026 2.965 ( -2.522 7.787 20.274) 21.864 3.385 ( 14.673 -3.122 0.812) 15.024 3.457 ( 0.086 5.646 10.382) 11.818 4.058 ( -2.161 7.784 27.576) 28.735 4.733 ( -4.233 1.388 4.368) 6.239 4.987 ( -4.232 6.820 -3.234) 8.653 5.285 ( 2.060 -1.736 -1.124) 2.919 5.625 ( 9.455 0.198 -5.349) 10.865 5.759 ( -10.570 2.778 -2.153) 11.139 5.971 ( 1.930 -7.789 0.933) 8.078 6.724 ( 3.406 7.712 -5.588) 10.114 7.121 ( -6.325 2.126 2.035) 6.976 7.335 ( 7.882 -0.460 -2.718) 8.350 7.383 ( -13.216 -12.135 -2.566) 18.125 7.897 ( 2.459 0.371 3.733) 4.485 8.219 ( -3.364 -8.689 7.951) 12.249 8.360 ( -0.135 3.421 3.911) 5.198 8.797 ( 3.765 2.107 -2.660) 5.068 9.589 ( -6.451 7.420 6.650) 11.870 9.738 ( 0.988 1.094 10.727) 10.828 10.069 ( 0.109 -2.834 -1.627) 3.270 10.281 ( -5.509 -11.219 -20.563) 24.063 10.457 ( 16.111 4.681 -5.773) 17.743 10.784 ( 12.857 -9.119 -8.773) 18.040 11.250 ( -0.083 -0.098 1.687) 1.692 11.439 ( 1.338 -2.502 -12.588) 12.904 12.247 ( 3.675 8.345 -8.540) 12.493 13.625 ( -8.126 6.458 20.125) 22.644 14.071 ( -2.486 -1.641 8.861) 9.349 ======================= Grid point 170 (75/275) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 3.485 -6.813 10.871) 13.295 2.374 ( -8.437 -0.644 4.234) 9.462 2.492 ( 4.325 -15.252 0.055) 15.854 2.716 ( -10.301 0.231 2.650) 10.639 2.871 ( -2.090 2.310 -1.266) 3.362 3.442 ( 1.630 -0.447 11.893) 12.013 3.633 ( 6.110 2.835 15.789) 17.166 4.085 ( 3.322 3.482 19.612) 20.194 4.673 ( -7.896 2.995 7.801) 11.497 4.828 ( -0.252 5.941 -2.325) 6.385 5.202 ( -11.308 2.725 0.137) 11.633 5.567 ( -3.688 -5.049 -5.881) 8.583 5.842 ( 12.865 2.994 -3.763) 13.734 6.197 ( 14.253 -9.347 -5.578) 17.934 6.692 ( 2.715 4.746 -1.241) 5.606 6.990 ( -9.905 -0.896 1.338) 10.035 7.271 ( -12.816 -8.594 -0.193) 15.432 7.453 ( 4.576 -1.999 1.250) 5.147 7.928 ( 1.731 1.843 2.677) 3.682 8.199 ( -9.750 -4.570 10.626) 15.128 8.415 ( 4.675 -3.446 1.004) 5.894 8.824 ( 3.998 3.194 -2.384) 5.646 9.420 ( -5.067 10.228 8.250) 14.083 9.721 ( -6.640 -1.005 4.973) 8.356 10.092 ( -0.087 -1.212 -0.964) 1.551 10.254 ( -3.576 -9.522 -18.239) 20.884 10.591 ( 9.123 3.870 -9.969) 14.056 11.076 ( 9.786 -6.223 -2.976) 11.973 11.244 ( 5.821 2.837 -3.153) 7.203 11.441 ( -0.549 -2.490 -11.176) 11.463 12.167 ( 2.400 11.305 -8.026) 14.071 13.530 ( -4.109 2.981 20.891) 21.499 14.102 ( -0.372 -3.332 9.679) 10.243 ======================= Grid point 171 (76/275) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -8.413 6.608 11.101) 15.416 2.226 ( -3.408 -4.389 5.843) 8.064 2.377 ( -12.325 14.919 4.095) 19.780 2.840 ( 1.492 -6.028 -4.483) 7.659 2.956 ( 6.517 -21.638 1.258) 22.634 3.525 ( 1.804 -2.481 10.648) 11.081 3.686 ( -0.193 3.306 20.227) 20.497 4.119 ( -3.582 0.215 17.722) 18.082 4.357 ( -21.782 7.015 5.599) 23.558 4.861 ( 4.891 6.726 -4.342) 9.382 5.042 ( -1.193 -0.728 -1.884) 2.346 5.608 ( 0.722 -6.437 -3.307) 7.273 6.012 ( 11.290 -0.720 -0.734) 11.336 6.501 ( 16.184 -0.487 -12.237) 20.296 6.741 ( 4.128 -5.229 7.528) 10.053 6.835 ( -10.887 -2.313 -1.482) 11.228 7.164 ( -11.017 -7.138 1.458) 13.208 7.530 ( 2.289 -0.712 3.347) 4.117 7.927 ( -0.685 0.752 0.687) 1.228 8.105 ( -9.505 -2.195 10.426) 14.278 8.535 ( 4.029 -3.724 1.898) 5.805 8.847 ( 3.454 2.077 -2.326) 4.653 9.274 ( -1.840 9.893 8.694) 13.298 9.575 ( -13.945 -3.322 -4.080) 14.905 10.071 ( -0.434 3.906 -1.566) 4.231 10.279 ( -0.372 -7.555 -10.769) 13.160 10.607 ( -0.457 1.416 -8.392) 8.523 11.088 ( -1.967 3.167 -2.640) 4.568 11.393 ( 2.472 2.579 -14.367) 14.804 11.478 ( 12.636 -2.509 -2.795) 13.182 12.057 ( 2.490 10.978 -7.194) 13.359 13.542 ( -0.278 -0.401 20.321) 20.327 14.184 ( 1.506 -5.536 10.242) 11.740 ======================= Grid point 172 (77/275) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -13.105 13.540 12.210) 22.454 1.982 ( -19.166 12.269 6.509) 23.669 2.326 ( 1.854 -4.167 13.041) 13.815 2.896 ( 0.201 -4.207 -2.471) 4.883 3.261 ( 5.242 -13.046 -1.603) 14.151 3.557 ( -10.730 3.537 19.257) 22.327 3.622 ( -8.139 -2.025 13.837) 16.181 4.002 ( -6.741 -0.781 5.890) 8.986 4.167 ( -1.150 -0.321 14.534) 14.582 4.804 ( 1.854 5.991 -6.586) 9.094 5.103 ( 3.568 -1.658 -4.558) 6.021 5.690 ( 3.575 -3.461 0.091) 4.977 6.213 ( 9.970 -3.817 1.237) 10.747 6.582 ( -9.242 -7.946 3.334) 12.636 6.727 ( 3.449 3.776 -9.246) 10.566 6.969 ( 8.080 -7.032 -0.501) 10.723 7.091 ( -6.013 -6.803 2.450) 9.404 7.543 ( 0.054 5.152 3.448) 6.200 7.894 ( -6.346 -6.636 -0.405) 9.191 8.030 ( -2.937 1.408 9.735) 10.266 8.595 ( 1.967 4.105 2.097) 5.012 8.886 ( 1.699 -2.129 0.948) 2.884 9.230 ( 4.470 5.391 6.098) 9.287 9.352 ( -15.522 -3.938 -9.122) 18.429 9.985 ( -0.918 9.268 -2.431) 9.625 10.318 ( -1.195 -5.788 -6.645) 8.893 10.516 ( -7.270 -0.430 -3.142) 7.932 11.003 ( 0.277 8.228 -8.306) 11.695 11.320 ( -4.432 -0.359 -10.556) 11.454 11.605 ( 5.257 7.600 -5.729) 10.873 12.044 ( 9.105 3.369 -6.514) 11.691 13.620 ( 1.011 -2.211 18.397) 18.557 14.332 ( 4.673 -8.168 10.181) 13.864 ======================= Grid point 173 (78/275) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -12.280 16.430 15.524) 25.724 1.549 ( -24.144 7.784 10.849) 27.590 2.340 ( -10.495 3.069 17.987) 21.050 2.927 ( 1.546 -1.848 16.090) 16.269 3.320 ( -12.597 -3.359 12.664) 18.176 3.344 ( -2.706 -0.575 -3.809) 4.707 3.678 ( 1.985 -5.172 7.655) 9.449 4.048 ( 3.826 -3.293 3.274) 6.017 4.227 ( 0.042 -1.702 18.771) 18.848 4.786 ( 4.623 3.651 -6.580) 8.832 5.133 ( 0.507 -1.822 -7.979) 8.200 5.791 ( 6.072 0.338 2.590) 6.610 6.344 ( -2.924 -3.772 5.809) 7.518 6.515 ( -8.288 -8.809 3.306) 12.538 6.810 ( 9.480 -4.365 -6.934) 12.530 6.985 ( -7.899 -7.265 -1.187) 10.797 7.196 ( 2.410 -4.305 -1.449) 5.142 7.427 ( -2.163 11.755 1.986) 12.116 7.931 ( 0.660 -8.803 -0.716) 8.856 8.025 ( 0.296 0.137 7.021) 7.028 8.510 ( -1.291 13.331 -2.039) 13.547 8.954 ( -1.048 -7.558 7.705) 10.843 9.129 ( -9.957 0.312 -9.644) 13.865 9.334 ( 9.647 1.072 1.851) 9.881 9.833 ( -2.493 11.962 -2.723) 12.519 10.314 ( -4.123 -3.924 -5.246) 7.741 10.399 ( -7.807 -1.418 1.198) 8.025 10.848 ( -2.928 12.963 -9.145) 16.132 11.221 ( -5.907 -1.597 -6.003) 8.571 11.518 ( 0.059 8.483 -9.214) 12.524 12.173 ( 8.603 -0.509 -6.228) 10.633 13.704 ( 0.242 -2.316 16.301) 16.467 14.561 ( 7.701 -10.899 6.444) 14.819 ======================= Grid point 174 (79/275) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -10.666 14.161 20.202) 26.878 1.143 ( -21.581 2.669 17.274) 27.772 2.087 ( -16.283 7.282 31.897) 36.546 3.124 ( 0.955 -8.986 11.911) 14.951 3.238 ( -8.079 -2.681 7.396) 11.276 3.302 ( 8.257 3.465 3.770) 9.716 3.782 ( 1.689 -3.592 6.025) 7.215 4.158 ( 5.914 -2.132 0.723) 6.328 4.273 ( -2.371 0.974 22.767) 22.911 4.840 ( 6.971 0.842 -4.985) 8.612 5.126 ( -0.048 -1.474 -11.711) 11.803 5.873 ( 2.612 0.392 4.431) 5.158 6.298 ( -9.405 -8.017 4.656) 13.206 6.458 ( -4.811 4.670 7.826) 10.306 6.927 ( -6.782 -7.672 -2.728) 10.597 7.077 ( 4.686 -8.689 -6.014) 11.560 7.161 ( -0.667 -6.149 -1.902) 6.470 7.356 ( 4.299 5.274 -2.099) 7.120 7.958 ( -1.889 1.811 -0.731) 2.717 8.139 ( 3.354 -2.465 0.825) 4.243 8.241 ( -5.793 16.805 -6.068) 18.783 8.922 ( -9.466 -3.527 -11.468) 15.283 9.138 ( 10.295 -0.962 17.242) 20.104 9.480 ( 10.264 4.836 0.380) 11.352 9.685 ( -0.385 5.891 -1.957) 6.219 10.229 ( -9.137 -1.838 -2.542) 9.660 10.298 ( -7.788 -0.808 3.472) 8.565 10.632 ( -3.414 10.635 -0.720) 11.193 11.136 ( -5.424 -1.346 -1.903) 5.903 11.422 ( 0.770 4.185 -13.031) 13.708 12.263 ( 3.786 -0.808 -6.047) 7.180 13.765 ( -0.369 -1.422 15.162) 15.233 14.783 ( 2.615 -9.615 -3.897) 10.699 ======================= Grid point 176 (80/275) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 7.066 0.000 18.087) 19.418 1.657 ( 6.424 0.000 21.472) 22.412 2.508 ( 28.755 0.000 23.387) 37.064 2.884 ( -3.903 -0.000 -10.866) 11.545 3.071 ( -6.339 -0.000 29.362) 30.038 3.243 ( -7.494 -0.000 -11.990) 14.139 3.687 ( -6.768 -0.000 1.150) 6.865 4.207 ( -6.835 -0.000 30.126) 30.892 4.846 ( -6.549 -0.000 0.387) 6.560 5.098 ( 21.417 0.000 -4.510) 21.886 5.114 ( 3.455 0.000 -14.154) 14.570 5.597 ( -6.717 -0.000 5.983) 8.995 5.962 ( -6.357 -0.000 -1.124) 6.455 5.973 ( -16.660 -0.000 7.095) 18.107 6.879 ( 2.707 0.000 -10.397) 10.744 7.140 ( 2.155 0.000 0.609) 2.239 7.281 ( -2.473 -0.000 -9.816) 10.123 7.487 ( -6.656 -0.000 3.170) 7.372 7.645 ( 3.062 0.000 -0.015) 3.062 8.060 ( 6.762 0.000 6.727) 9.538 8.483 ( -1.365 -0.000 2.878) 3.185 8.765 ( 3.366 0.000 -4.405) 5.544 9.641 ( 1.175 0.000 1.990) 2.311 9.896 ( -0.864 -0.000 6.182) 6.243 9.972 ( -5.485 -0.000 5.778) 7.967 10.098 ( 5.394 0.000 -12.589) 13.696 10.220 ( 19.190 0.000 -1.709) 19.266 10.521 ( 3.058 0.000 -6.213) 6.925 11.196 ( 4.569 0.000 2.260) 5.097 11.388 ( 3.306 0.000 -15.173) 15.529 12.332 ( 4.770 0.000 -7.792) 9.136 13.870 ( -1.934 -0.000 15.977) 16.093 14.130 ( -17.034 -0.000 7.916) 18.784 ======================= Grid point 177 (81/275) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 12.427 -15.291 11.217) 22.673 1.805 ( 2.818 -4.833 18.846) 19.659 2.725 ( -7.503 3.039 3.018) 8.640 2.795 ( -5.588 -1.309 -10.167) 11.675 3.081 ( -1.140 2.512 22.028) 22.200 3.337 ( 22.261 -0.994 4.682) 22.770 3.558 ( -6.887 2.874 3.134) 8.094 4.179 ( -4.166 2.923 27.103) 27.577 4.753 ( -4.412 0.435 2.942) 5.321 5.095 ( -1.916 2.583 -8.258) 8.862 5.294 ( 1.366 2.398 2.478) 3.709 5.618 ( 11.845 -0.466 -5.865) 13.225 5.736 ( -14.103 -4.181 0.016) 14.709 5.896 ( -1.304 0.505 0.045) 1.399 6.869 ( 3.009 5.039 -8.545) 10.366 7.080 ( -10.411 -6.367 -0.325) 12.207 7.274 ( -5.290 0.978 -0.235) 5.385 7.383 ( 5.931 7.768 -3.442) 10.362 7.718 ( -5.381 -13.864 3.628) 15.308 8.180 ( 5.756 1.781 5.847) 8.396 8.427 ( -3.916 2.218 3.207) 5.526 8.831 ( 5.782 0.838 -0.971) 5.923 9.645 ( -2.647 0.467 4.903) 5.592 9.851 ( -0.151 6.902 6.736) 9.645 9.987 ( -0.010 -5.189 3.520) 6.270 10.051 ( -8.340 -7.458 -14.527) 18.336 10.536 ( 19.039 2.810 -3.924) 19.641 10.641 ( 12.802 -4.290 -10.479) 17.091 11.240 ( -0.314 -0.514 3.967) 4.013 11.408 ( 3.859 -0.597 -15.631) 16.112 12.380 ( 5.739 3.442 -8.298) 10.660 13.797 ( -7.254 8.704 17.003) 20.432 13.986 ( -7.550 -6.119 10.075) 13.998 ======================= Grid point 178 (82/275) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 12.260 -15.510 6.050) 20.676 1.983 ( 3.651 -13.705 14.687) 20.417 2.499 ( -13.608 3.105 0.571) 13.970 2.699 ( -5.238 -1.683 -8.230) 9.899 3.039 ( -3.437 7.973 11.122) 14.110 3.438 ( -3.045 0.656 4.124) 5.169 3.698 ( 12.940 2.067 12.523) 18.126 4.174 ( -0.820 3.843 23.571) 23.897 4.724 ( -1.173 1.352 6.209) 6.462 4.932 ( -9.783 3.678 -0.508) 10.463 5.231 ( -6.376 1.240 0.140) 6.497 5.510 ( -7.728 -1.094 -9.662) 12.421 5.908 ( 3.999 0.945 1.527) 4.383 5.982 ( 20.774 -6.982 -7.078) 23.030 6.825 ( 0.495 5.394 -3.643) 6.528 6.977 ( -7.662 -1.234 -0.573) 7.782 7.128 ( -10.397 -2.156 0.371) 10.625 7.422 ( 1.866 -0.443 0.043) 1.918 7.790 ( -4.886 -12.973 2.763) 14.136 8.209 ( -0.269 4.742 7.317) 8.723 8.387 ( 0.893 -0.517 1.177) 1.566 8.904 ( 5.862 3.659 0.173) 6.912 9.564 ( -6.140 3.590 7.070) 10.028 9.759 ( -7.729 4.089 4.972) 10.059 9.996 ( -3.138 -9.794 -11.923) 15.745 10.074 ( 3.205 -3.714 -1.252) 5.063 10.666 ( 7.204 3.256 -12.044) 14.407 10.957 ( 16.737 -4.811 -2.810) 17.640 11.242 ( -0.526 -1.660 2.491) 3.039 11.435 ( 5.685 1.055 -16.273) 17.270 12.385 ( 5.112 8.119 -7.765) 12.343 13.643 ( -5.946 7.324 19.214) 21.405 13.991 ( -4.985 -6.917 10.401) 13.450 ======================= Grid point 179 (83/275) ======================= q-point: (-0.56 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 2.917 -5.540 9.960) 11.764 2.231 ( -10.942 1.823 3.461) 11.620 2.384 ( 8.921 -22.949 3.702) 24.898 2.615 ( -4.519 1.374 -0.552) 4.756 2.877 ( -4.990 9.680 2.463) 11.165 3.455 ( 0.457 -3.798 4.046) 5.568 3.802 ( 2.770 5.590 15.898) 17.079 4.166 ( -3.791 3.852 21.417) 22.088 4.513 ( -19.894 6.917 5.493) 21.766 4.919 ( 4.267 -4.606 0.925) 6.347 5.063 ( -6.137 6.144 -4.249) 9.668 5.475 ( 1.202 -4.837 -9.194) 10.458 5.991 ( 4.681 -2.201 3.601) 6.302 6.377 ( 19.788 -6.661 -8.177) 22.423 6.750 ( -4.413 2.989 5.980) 8.010 6.852 ( -5.076 2.260 -3.757) 6.707 7.032 ( -5.400 -3.681 -1.684) 6.749 7.448 ( -3.433 -6.280 4.192) 8.294 7.830 ( -6.486 -9.331 2.340) 11.602 8.157 ( -0.112 6.197 7.569) 9.783 8.463 ( 5.468 -2.744 -0.395) 6.130 8.932 ( 3.460 5.205 -0.308) 6.257 9.434 ( -6.772 4.149 6.433) 10.220 9.569 ( -11.003 2.787 -0.348) 11.356 10.050 ( -0.567 -8.697 -6.429) 10.830 10.154 ( 4.136 -0.430 -1.670) 4.481 10.653 ( -1.183 2.758 -8.422) 8.941 11.119 ( 3.306 0.418 -6.818) 7.589 11.307 ( -0.812 -6.581 -4.542) 8.038 11.533 ( 16.703 3.809 -11.329) 20.539 12.320 ( 3.062 12.428 -7.169) 14.671 13.577 ( -1.864 3.560 20.946) 21.328 14.029 ( -3.952 -8.664 10.315) 14.039 ======================= Grid point 180 (84/275) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -11.038 10.156 10.898) 18.540 2.051 ( -9.169 -4.788 6.303) 12.113 2.471 ( -0.789 14.343 8.827) 16.860 2.789 ( -1.202 -3.974 -3.366) 5.345 2.838 ( 10.307 -24.265 0.795) 26.376 3.512 ( -0.636 -4.490 -0.078) 4.536 3.780 ( -5.445 10.978 22.782) 25.869 4.009 ( -17.593 3.400 17.153) 24.805 4.219 ( -3.459 3.626 6.109) 7.901 4.923 ( -2.413 2.796 -4.836) 6.085 5.040 ( 3.891 -2.194 -2.570) 5.154 5.565 ( 4.344 -7.112 -4.639) 9.537 6.119 ( 5.415 -4.582 3.713) 8.007 6.486 ( -11.562 -1.477 0.906) 11.691 6.774 ( 0.092 -1.384 -3.203) 3.491 6.839 ( 9.544 -6.252 -0.550) 11.423 6.995 ( -1.140 1.433 -1.673) 2.481 7.488 ( -2.215 -8.833 5.239) 10.506 7.792 ( -7.959 -4.193 4.096) 9.885 8.132 ( 3.209 6.832 6.153) 9.738 8.595 ( 6.942 -2.055 -0.375) 7.249 8.902 ( -1.437 3.078 -1.194) 3.600 9.303 ( -6.992 1.317 -1.475) 7.266 9.391 ( -3.751 6.314 4.266) 8.493 10.098 ( -0.772 -3.671 -3.962) 5.456 10.202 ( 2.489 0.236 -2.115) 3.275 10.540 ( -6.646 2.348 -3.976) 8.092 11.116 ( 2.754 3.220 -12.453) 13.154 11.278 ( -5.757 -3.869 -10.121) 12.270 11.732 ( 11.999 3.934 -5.258) 13.678 12.208 ( 3.221 11.588 -7.161) 13.997 13.608 ( 1.018 1.139 20.211) 20.269 14.117 ( -1.655 -11.580 10.294) 15.582 ======================= Grid point 181 (85/275) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -18.446 9.185 11.551) 23.623 1.820 ( -13.961 13.775 10.663) 22.324 2.435 ( 3.946 6.984 13.327) 15.555 2.855 ( 1.507 -6.581 0.539) 6.773 3.200 ( 7.564 -15.343 -4.535) 17.697 3.408 ( -21.345 13.315 26.019) 36.193 3.531 ( -2.813 -5.323 -0.674) 6.058 3.953 ( -1.020 -4.055 13.416) 14.052 4.237 ( 3.606 1.599 11.444) 12.105 4.871 ( 1.355 3.373 -4.443) 5.741 5.082 ( -0.137 -2.685 -5.603) 6.214 5.736 ( 8.395 -5.998 -0.991) 10.365 6.277 ( -13.465 -1.947 5.961) 14.854 6.279 ( 1.990 -9.221 2.996) 9.898 6.770 ( -1.315 -3.982 -6.811) 7.998 6.931 ( -4.236 2.391 -1.425) 5.068 7.022 ( -0.119 -9.885 -0.188) 9.888 7.589 ( 2.671 0.345 4.255) 5.036 7.738 ( -1.450 -5.305 6.126) 8.233 8.138 ( 5.017 7.969 4.056) 10.253 8.686 ( 3.307 2.350 2.169) 4.600 8.824 ( -5.652 -2.007 -5.286) 7.995 9.194 ( -0.586 4.675 -1.834) 5.056 9.378 ( 6.696 3.187 3.656) 8.268 10.054 ( -2.958 5.265 -3.241) 6.854 10.216 ( -1.474 -2.110 -2.716) 3.742 10.400 ( -6.716 1.218 -0.652) 6.857 11.062 ( 0.895 6.504 -15.446) 16.784 11.179 ( -6.605 -2.537 -8.754) 11.255 11.734 ( 0.226 9.985 -4.766) 11.066 12.191 ( 6.317 3.285 -7.411) 10.277 13.673 ( 0.668 -0.091 18.375) 18.387 14.280 ( 0.849 -14.676 8.928) 17.199 ======================= Grid point 182 (86/275) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -19.797 8.033 16.237) 26.835 1.492 ( -7.070 21.240 14.444) 26.641 2.359 ( -5.999 15.651 17.976) 24.578 2.960 ( 0.796 -5.416 15.064) 16.028 3.152 ( -8.725 -1.601 14.365) 16.883 3.337 ( 2.246 -1.131 -1.741) 3.058 3.614 ( 0.299 -12.358 -0.118) 12.362 4.051 ( 1.512 -6.605 12.870) 14.544 4.319 ( 4.278 2.805 13.339) 14.286 4.867 ( 2.957 1.184 -5.050) 5.971 5.085 ( 0.457 -1.898 -8.225) 8.453 5.879 ( 1.018 -0.137 2.004) 2.253 6.124 ( -8.876 -7.713 5.877) 13.146 6.443 ( 1.708 -6.735 5.518) 8.873 6.788 ( -3.783 -7.306 -3.637) 8.995 6.823 ( -5.235 -5.778 -5.544) 9.567 7.064 ( -3.113 -5.064 -1.645) 6.167 7.534 ( 0.840 9.341 2.687) 9.756 7.934 ( 7.789 -9.972 6.939) 14.431 8.109 ( 0.483 8.565 2.422) 8.914 8.635 ( -0.718 13.621 -2.468) 13.861 8.770 ( -3.905 -7.139 -7.275) 10.915 9.212 ( 10.527 5.730 3.927) 12.612 9.528 ( 12.914 0.690 -0.718) 12.953 9.887 ( -6.290 8.936 -1.645) 11.051 10.170 ( -6.652 -2.440 -3.211) 7.779 10.300 ( -4.827 1.433 2.362) 5.561 10.916 ( -1.107 11.856 -11.969) 16.883 11.094 ( -4.601 -2.084 -6.488) 8.222 11.582 ( -1.873 10.058 -7.541) 12.710 12.240 ( 2.995 -0.744 -6.556) 7.246 13.729 ( -0.539 -1.221 17.083) 17.135 14.474 ( -1.516 -16.941 4.371) 17.561 ======================= Grid point 183 (87/275) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 6.126 6.705 22.471) 24.237 1.224 ( -1.929 22.194 16.251) 27.575 2.118 ( -7.008 15.635 30.915) 35.346 3.031 ( -3.249 -4.072 5.631) 7.671 3.112 ( -6.086 -2.728 10.981) 12.848 3.412 ( 0.948 -5.917 4.426) 7.450 3.722 ( -1.690 -9.106 -0.784) 9.295 4.194 ( -1.444 -6.933 22.129) 23.234 4.413 ( 12.899 4.242 6.299) 14.969 4.910 ( 3.344 -1.576 -5.996) 7.044 5.094 ( 1.751 -0.611 -10.515) 10.677 5.798 ( -10.254 -3.013 6.507) 12.513 6.144 ( -3.575 -4.955 3.187) 6.892 6.410 ( -9.851 1.599 6.615) 11.973 6.760 ( -2.494 -7.444 -4.433) 9.016 6.989 ( 1.539 -14.603 0.326) 14.687 7.073 ( 5.992 -3.920 -6.744) 9.836 7.485 ( 4.260 8.619 -1.167) 9.685 7.971 ( -6.182 5.907 0.397) 8.560 8.169 ( 3.312 -3.999 4.536) 6.895 8.375 ( -2.572 19.397 -2.257) 19.697 8.772 ( -1.183 -3.294 -9.577) 10.197 9.445 ( 20.488 1.402 3.391) 20.814 9.704 ( 2.153 7.961 1.898) 8.463 9.751 ( 10.841 0.820 -3.129) 11.313 10.046 ( -10.039 -1.875 0.327) 10.218 10.212 ( -4.927 3.016 4.812) 7.518 10.739 ( -0.235 14.412 -5.313) 15.362 11.051 ( -1.121 -2.058 -2.747) 3.611 11.453 ( 0.117 6.075 -11.355) 12.879 12.264 ( 0.664 -1.920 -5.805) 6.150 13.780 ( -1.026 -2.156 16.457) 16.629 14.554 ( -11.525 -14.158 -0.438) 18.261 ======================= Grid point 186 (88/275) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 16.524 0.000 8.661) 18.656 1.867 ( 2.007 0.000 15.116) 15.249 2.534 ( -14.041 -0.000 -0.888) 14.069 2.679 ( -5.449 -0.000 -7.286) 9.099 3.124 ( -0.047 -0.000 12.442) 12.442 3.457 ( -7.758 -0.000 4.230) 8.836 3.715 ( 16.104 0.000 11.006) 19.505 4.217 ( -1.451 -0.000 23.164) 23.209 4.735 ( 0.199 0.000 4.623) 4.627 4.975 ( -14.834 -0.000 -0.454) 14.841 5.257 ( -4.494 -0.000 0.885) 4.581 5.493 ( -7.451 -0.000 -9.860) 12.359 5.848 ( 6.973 0.000 -1.001) 7.044 5.975 ( 17.488 0.000 -4.654) 18.097 6.883 ( -8.742 -0.000 1.114) 8.812 6.939 ( 4.929 0.000 -9.072) 10.324 7.152 ( -11.807 -0.000 2.376) 12.044 7.465 ( -12.573 -0.000 8.029) 14.918 7.562 ( 7.253 0.000 -5.435) 9.063 8.279 ( 3.123 0.000 4.289) 5.306 8.376 ( -3.407 -0.000 2.965) 4.517 8.950 ( 7.150 0.000 2.221) 7.487 9.613 ( -4.624 -0.000 6.836) 8.254 9.794 ( -13.245 -0.000 -8.916) 15.966 9.878 ( -1.456 -0.000 1.682) 2.225 10.031 ( 6.741 0.000 1.624) 6.934 10.711 ( 6.295 0.000 -14.667) 15.960 10.894 ( 18.783 0.000 -0.611) 18.793 11.221 ( -1.987 -0.000 2.179) 2.949 11.449 ( 7.677 0.000 -16.455) 18.158 12.477 ( 6.547 0.000 -7.531) 9.979 13.819 ( -7.156 -0.000 17.679) 19.072 13.821 ( -6.826 -0.000 11.102) 13.033 ======================= Grid point 187 (89/275) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 13.879 -6.838 5.241) 16.335 1.960 ( 2.965 -8.109 11.340) 14.253 2.328 ( -10.192 2.057 1.736) 10.542 2.586 ( -5.027 -1.569 -2.177) 5.699 3.116 ( -0.696 8.803 6.196) 10.787 3.372 ( -4.895 -3.712 5.387) 8.171 3.872 ( 1.960 1.106 11.359) 11.579 4.257 ( 0.447 3.388 19.794) 20.087 4.630 ( -20.215 4.086 3.211) 20.873 4.783 ( -3.233 -5.904 2.578) 7.208 5.197 ( -0.442 4.373 -2.708) 5.163 5.415 ( 0.009 -1.113 -12.470) 12.519 5.923 ( 2.979 -2.698 3.222) 5.152 6.306 ( 20.754 -0.804 -5.300) 21.435 6.776 ( -5.700 -1.021 0.962) 5.870 6.904 ( -14.306 3.760 3.159) 15.126 7.025 ( 6.824 0.567 -6.560) 9.482 7.303 ( -12.733 -5.539 9.335) 16.731 7.652 ( 0.174 -5.219 -2.306) 5.708 8.291 ( 1.832 5.440 4.146) 7.081 8.403 ( 3.945 -3.202 0.763) 5.138 9.036 ( 4.326 3.476 1.952) 5.882 9.506 ( -8.410 3.797 4.287) 10.174 9.593 ( -10.692 -2.435 -0.833) 10.997 9.887 ( -0.064 -4.003 -1.863) 4.415 10.152 ( 7.271 -0.196 0.501) 7.291 10.710 ( -0.946 1.986 -8.907) 9.174 11.102 ( 5.977 -1.779 -5.872) 8.566 11.212 ( 0.270 -1.642 -5.342) 5.595 11.585 ( 14.992 1.130 -12.357) 19.461 12.529 ( 5.633 5.822 -8.088) 11.447 13.681 ( -5.191 6.016 18.600) 20.226 13.839 ( -6.642 -8.483 13.146) 16.997 ======================= Grid point 188 (90/275) ======================= q-point: (-0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -2.106 -2.985 8.139) 8.922 2.136 ( -6.737 6.224 7.490) 11.842 2.334 ( 11.821 -19.427 2.705) 22.902 2.561 ( -1.713 -4.372 3.334) 5.759 2.939 ( -5.653 15.015 5.756) 17.045 3.404 ( -0.799 -6.051 0.193) 6.107 3.883 ( -2.760 0.035 14.849) 15.104 4.211 ( -11.049 11.989 17.695) 24.061 4.290 ( -8.335 2.864 0.894) 8.858 4.817 ( -2.973 -8.399 -0.368) 8.918 5.132 ( 1.535 7.044 -3.535) 8.029 5.439 ( 3.018 -4.162 -8.168) 9.651 6.026 ( 4.057 -3.781 3.331) 6.469 6.492 ( -3.664 1.479 -1.070) 4.093 6.689 ( -8.202 -6.700 -4.355) 11.451 6.743 ( 0.577 -0.717 6.207) 6.275 7.075 ( -1.221 2.905 0.752) 3.240 7.289 ( 2.941 -7.370 4.901) 9.327 7.675 ( -3.830 -5.834 1.809) 7.210 8.285 ( 4.720 6.964 2.834) 8.877 8.543 ( 9.000 -2.836 -1.496) 9.554 8.999 ( -3.466 5.474 -1.170) 6.584 9.356 ( -4.624 3.064 1.528) 5.753 9.479 ( -5.895 0.993 5.970) 8.449 9.937 ( -0.804 -6.972 -2.821) 7.564 10.258 ( 6.752 2.008 0.150) 7.046 10.603 ( -6.266 3.130 -4.033) 8.082 11.135 ( -0.556 -2.819 -11.906) 12.248 11.204 ( -0.169 -0.589 -11.398) 11.414 11.784 ( 12.671 1.275 -6.827) 14.450 12.472 ( 2.083 11.470 -8.933) 14.686 13.650 ( -0.341 2.015 20.084) 20.188 13.871 ( -5.737 -10.344 12.537) 17.236 ======================= Grid point 189 (91/275) ======================= q-point: (-0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -14.791 7.408 8.209) 18.467 2.017 ( -3.762 6.078 14.161) 15.863 2.637 ( 3.625 1.594 12.463) 13.077 2.667 ( -1.527 -8.251 -2.641) 8.797 2.804 ( 6.551 -10.802 3.063) 12.999 3.429 ( -2.359 -3.783 -3.540) 5.693 3.815 ( -16.792 15.156 10.098) 24.772 3.899 ( -1.727 2.697 18.976) 19.244 4.269 ( 3.131 2.009 6.603) 7.579 4.854 ( -1.865 -5.393 -1.442) 5.886 5.089 ( 1.676 4.042 -3.385) 5.533 5.570 ( 7.990 -8.031 -4.280) 12.110 6.137 ( 2.406 -4.619 1.224) 5.350 6.276 ( -15.140 1.022 5.317) 16.079 6.651 ( -6.486 -7.534 -6.185) 11.708 6.804 ( -5.723 -7.492 1.622) 9.566 7.009 ( -0.488 2.142 4.780) 5.261 7.493 ( 10.471 -4.077 4.655) 12.162 7.682 ( -2.880 -4.010 4.998) 7.025 8.310 ( 7.524 7.739 0.168) 10.794 8.697 ( 5.088 0.316 0.074) 5.098 8.848 ( -4.394 3.087 -4.751) 7.170 9.306 ( 2.408 5.369 2.470) 6.382 9.437 ( 1.373 1.243 5.091) 5.418 9.973 ( -3.811 -7.034 -2.739) 8.456 10.314 ( 4.756 6.041 -1.019) 7.756 10.443 ( -7.550 2.744 -1.345) 8.145 11.078 ( -7.153 -4.698 -11.051) 13.977 11.176 ( 2.853 2.791 -16.057) 16.545 11.878 ( 3.133 3.441 -3.637) 5.906 12.343 ( 1.167 10.386 -9.476) 14.108 13.698 ( 1.062 1.858 18.562) 18.684 13.963 ( -3.168 -14.339 11.426) 18.606 ======================= Grid point 190 (92/275) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -14.934 12.736 13.968) 24.090 1.876 ( -5.259 13.828 15.523) 21.444 2.604 ( 1.731 6.846 8.261) 10.868 2.808 ( 3.373 -9.184 6.064) 11.510 3.123 ( 5.838 -19.042 -5.470) 20.655 3.380 ( -8.685 14.623 16.928) 23.997 3.420 ( -7.958 3.599 1.490) 8.860 3.935 ( -1.945 -3.869 18.450) 18.951 4.363 ( 7.384 1.108 6.895) 10.163 4.857 ( -1.688 -2.621 -3.809) 4.922 5.079 ( 2.218 1.934 -3.774) 4.786 5.823 ( 11.469 -6.902 -1.454) 13.464 6.007 ( -14.836 -1.989 3.272) 15.322 6.277 ( 2.728 -6.836 3.694) 8.235 6.591 ( -12.368 -12.019 -5.105) 17.986 6.720 ( -8.408 -3.254 1.063) 9.078 7.050 ( 5.244 2.391 -0.053) 5.763 7.668 ( 2.650 2.064 3.980) 5.208 7.731 ( 4.332 -7.958 10.883) 14.161 8.321 ( 3.190 10.249 -0.542) 10.748 8.639 ( -4.031 -1.508 -1.824) 4.674 8.858 ( 5.340 5.307 -4.604) 8.825 9.333 ( 7.856 5.356 4.522) 10.529 9.539 ( 10.685 -0.052 -0.022) 10.685 9.925 ( -9.076 -4.053 -1.721) 10.088 10.212 ( -6.741 5.208 -4.347) 9.563 10.369 ( 1.132 5.075 2.213) 5.651 10.987 ( -5.421 -4.136 -7.470) 10.114 11.133 ( 2.470 5.037 -18.229) 19.072 11.794 ( -3.158 8.344 -3.888) 9.732 12.263 ( 0.908 3.674 -8.830) 9.607 13.732 ( -0.603 1.475 17.556) 17.629 14.114 ( -3.104 -16.405 8.811) 18.878 ======================= Grid point 191 (93/275) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 6.030 11.882 19.237) 23.401 1.681 ( -1.732 18.677 15.013) 24.026 2.527 ( -1.167 16.845 9.338) 19.295 2.940 ( -0.188 -4.747 9.845) 10.931 3.107 ( -6.028 6.927 19.389) 21.453 3.309 ( -1.119 -5.334 -4.688) 7.189 3.439 ( -2.617 -15.002 -0.070) 15.229 4.019 ( -3.095 -7.909 23.468) 24.958 4.500 ( 10.884 3.346 6.841) 13.284 4.864 ( 1.487 -3.016 -8.283) 8.939 5.092 ( 2.193 0.791 -4.284) 4.877 5.770 ( -11.504 0.389 3.968) 12.175 6.051 ( 2.398 -4.267 0.286) 4.903 6.341 ( -10.304 -7.151 4.813) 13.435 6.592 ( -0.726 -12.888 -1.900) 13.047 6.693 ( 2.948 -6.771 -1.935) 7.635 7.094 ( 5.140 3.486 -4.072) 7.427 7.658 ( 2.614 6.331 2.119) 7.170 7.956 ( 5.334 -10.437 11.890) 16.696 8.171 ( -5.675 11.076 1.178) 12.501 8.646 ( -0.738 -2.011 -4.247) 4.757 8.787 ( -0.602 11.080 -4.263) 11.887 9.484 ( 13.009 1.321 3.711) 13.593 9.745 ( 12.656 -1.606 -4.044) 13.384 9.801 ( -4.762 0.610 1.652) 5.077 10.031 ( -9.457 1.460 -3.993) 10.368 10.324 ( 0.678 7.330 2.457) 7.761 10.984 ( 2.351 -2.847 -3.298) 4.950 11.031 ( 0.295 9.453 -18.788) 21.034 11.625 ( -3.204 9.290 -6.706) 11.897 12.228 ( -0.803 -0.778 -7.081) 7.169 13.750 ( -2.225 -0.145 17.659) 17.799 14.226 ( -7.560 -15.599 6.032) 18.354 ======================= Grid point 192 (94/275) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 8.904 15.696 13.254) 22.390 1.584 ( 18.362 14.510 16.533) 28.653 2.338 ( 1.953 18.619 22.468) 29.245 2.974 ( -2.693 -2.437 6.207) 7.192 3.048 ( -5.439 0.182 15.574) 16.497 3.294 ( -4.809 -4.608 -6.206) 9.104 3.549 ( -3.674 -13.352 -0.348) 13.853 4.100 ( -7.741 -8.874 29.885) 32.121 4.710 ( 15.307 0.076 3.362) 15.672 4.909 ( 3.051 -1.926 -8.310) 9.060 5.099 ( 1.892 0.722 -7.334) 7.609 5.631 ( -8.117 -1.581 5.025) 9.677 6.035 ( -5.873 -1.255 -1.547) 6.202 6.217 ( -13.265 -3.456 7.994) 15.868 6.661 ( 1.244 -7.138 -5.483) 9.087 6.977 ( 10.732 -11.357 2.499) 15.824 7.143 ( 6.778 0.757 -6.299) 9.284 7.643 ( 4.093 8.200 -2.707) 9.556 7.910 ( -10.151 7.715 1.701) 12.863 8.184 ( 3.789 -5.323 6.221) 9.021 8.467 ( -8.031 12.674 4.201) 15.581 8.742 ( 1.908 -0.580 -6.794) 7.081 9.627 ( 0.382 -3.187 8.547) 9.130 9.802 ( -0.620 1.361 2.272) 2.720 9.929 ( 7.468 -2.104 -2.619) 8.189 9.975 ( 12.540 -0.528 -8.702) 15.273 10.262 ( 2.729 8.930 0.219) 9.340 10.828 ( -4.484 12.752 -15.354) 20.456 11.088 ( 8.104 -0.305 -1.125) 8.188 11.486 ( -0.594 6.166 -10.215) 11.947 12.223 ( 0.100 -3.485 -6.470) 7.350 13.763 ( -4.375 -3.014 18.396) 19.148 14.226 ( -11.234 -10.078 5.380) 16.022 ======================= Grid point 196 (95/275) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -1.466 -0.000 9.923) 10.031 2.071 ( 15.690 0.000 2.407) 15.873 2.239 ( -4.297 -0.000 5.415) 6.912 2.493 ( -5.735 -0.000 4.690) 7.408 3.220 ( -11.404 -0.000 12.055) 16.594 3.236 ( 5.045 0.000 -1.946) 5.407 3.873 ( -4.881 -0.000 12.393) 13.320 4.314 ( -18.078 -0.000 -2.638) 18.270 4.381 ( 5.330 0.000 16.355) 17.202 4.693 ( -4.801 -0.000 -0.137) 4.802 5.231 ( 1.003 0.000 -2.946) 3.112 5.392 ( 1.679 0.000 -9.673) 9.818 5.982 ( 4.777 0.000 2.955) 5.617 6.520 ( 6.260 0.000 -2.426) 6.714 6.596 ( -18.203 -0.000 -2.982) 18.446 6.741 ( -5.362 -0.000 6.066) 8.096 7.079 ( -10.029 -0.000 11.655) 15.376 7.232 ( 15.143 0.000 -1.547) 15.222 7.601 ( -2.971 -0.000 -1.148) 3.185 8.385 ( 4.244 0.000 0.898) 4.338 8.491 ( 10.314 0.000 -0.715) 10.338 9.077 ( -3.192 -0.000 -2.075) 3.808 9.400 ( -4.714 -0.000 0.713) 4.768 9.461 ( -6.682 -0.000 9.459) 11.581 9.863 ( -0.025 -0.000 -1.771) 1.772 10.278 ( 7.893 0.000 0.475) 7.907 10.644 ( -6.160 -0.000 -3.824) 7.251 11.083 ( -3.005 -0.000 -9.761) 10.213 11.211 ( 3.252 0.000 -13.789) 14.167 11.796 ( 12.348 0.000 -7.261) 14.325 12.613 ( 3.184 0.000 -11.282) 11.723 13.669 ( -6.689 -0.000 19.123) 20.259 13.749 ( -2.463 -0.000 15.603) 15.797 ======================= Grid point 197 (96/275) ======================= q-point: (-0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -2.149 2.700 9.404) 10.017 2.162 ( -3.443 7.429 10.279) 13.142 2.354 ( 9.593 -10.861 1.197) 14.540 2.461 ( -4.133 -8.736 6.311) 11.542 2.997 ( -9.787 10.352 17.394) 22.483 3.338 ( 2.504 -4.462 -6.519) 8.287 3.826 ( -6.318 -1.383 15.364) 16.670 4.095 ( -6.423 2.492 -4.413) 8.182 4.431 ( 3.538 12.843 9.432) 16.322 4.693 ( -0.323 -9.267 0.435) 9.283 5.202 ( 0.430 5.094 -2.144) 5.543 5.435 ( 4.429 -4.238 -5.499) 8.236 6.072 ( 4.097 -1.448 1.180) 4.502 6.273 ( -20.103 -1.748 0.255) 20.181 6.496 ( -10.367 -4.167 -0.310) 11.178 6.718 ( -1.906 -1.541 3.129) 3.975 7.026 ( -0.710 -0.019 12.289) 12.309 7.468 ( 11.947 1.022 1.652) 12.104 7.574 ( -1.847 -4.562 0.809) 4.988 8.449 ( 7.471 4.428 -2.759) 9.113 8.683 ( 11.025 -1.295 -1.010) 11.146 8.942 ( -7.266 4.134 -3.772) 9.171 9.395 ( 1.762 2.202 5.328) 6.029 9.413 ( -1.789 -2.205 7.402) 7.928 9.866 ( -1.058 -2.421 -2.241) 3.465 10.398 ( 7.809 1.809 0.351) 8.024 10.503 ( -8.544 2.120 -1.973) 9.022 10.981 ( -7.861 -3.156 -11.057) 13.929 11.220 ( 3.883 1.148 -17.256) 17.724 11.913 ( 4.325 0.547 -3.713) 5.726 12.552 ( -1.297 6.854 -13.266) 14.988 13.675 ( -2.197 -5.620 17.470) 18.482 13.770 ( -1.775 -0.883 16.242) 16.363 ======================= Grid point 198 (97/275) ======================= q-point: (-0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -7.677 14.501 11.059) 19.787 2.076 ( -2.358 6.105 14.562) 15.965 2.523 ( -0.355 -12.079 2.587) 12.358 2.645 ( 3.312 -15.577 0.609) 15.937 2.866 ( -0.696 5.560 22.094) 22.793 3.363 ( -0.624 -1.554 -8.510) 8.673 3.772 ( -4.140 4.376 9.906) 11.594 3.962 ( -5.038 9.912 11.220) 15.796 4.402 ( 6.835 4.785 1.040) 8.408 4.779 ( -0.128 -3.943 0.816) 4.029 5.154 ( 1.149 4.727 -0.913) 4.950 5.623 ( 11.072 -10.169 -3.292) 15.390 5.986 ( -15.264 -1.778 -0.745) 15.386 6.170 ( 1.556 -3.680 2.336) 4.629 6.341 ( -16.345 -8.839 0.963) 18.607 6.696 ( -2.397 0.461 1.958) 3.129 7.093 ( 5.197 1.118 7.548) 9.232 7.579 ( 1.901 -5.428 6.100) 8.384 7.662 ( 4.118 -2.038 3.182) 5.589 8.507 ( 7.520 6.516 -5.416) 11.329 8.704 ( -5.629 6.606 1.675) 8.839 8.902 ( 6.500 -0.562 -2.449) 6.969 9.426 ( 4.869 2.427 4.607) 7.130 9.500 ( 5.905 -2.957 3.185) 7.332 9.845 ( -4.527 -2.255 -2.074) 5.466 10.314 ( -9.278 4.113 -3.179) 10.635 10.486 ( 6.088 4.887 1.350) 7.922 10.870 ( -6.907 -5.900 -9.009) 12.794 11.214 ( 3.919 2.521 -19.093) 19.653 11.905 ( -2.123 2.477 -1.651) 3.657 12.397 ( -2.686 7.566 -13.264) 15.504 13.765 ( -0.838 -1.959 15.948) 16.089 13.808 ( -2.741 -8.421 13.758) 16.362 ======================= Grid point 199 (98/275) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 4.476 15.919 14.515) 22.003 1.994 ( -2.017 10.569 15.751) 19.075 2.652 ( 3.407 -4.108 1.145) 5.458 2.792 ( -1.580 -9.965 10.382) 14.477 2.988 ( 3.144 -11.892 7.175) 14.240 3.313 ( -4.367 -0.566 -5.382) 6.954 3.564 ( -3.806 25.678 9.955) 27.802 3.882 ( -6.857 -4.684 23.821) 25.227 4.545 ( 12.230 0.631 0.559) 12.259 4.789 ( -1.011 -3.041 -5.121) 6.041 5.133 ( 1.214 2.960 -0.173) 3.204 5.768 ( -11.832 -3.487 -0.830) 12.363 5.939 ( 9.817 -5.493 -1.603) 11.363 6.178 ( -11.579 -6.925 7.300) 15.340 6.291 ( 2.897 -11.771 -2.901) 12.465 6.655 ( -1.322 1.212 0.833) 1.977 7.177 ( 6.492 3.417 0.157) 7.338 7.723 ( 1.604 0.062 2.885) 3.302 7.737 ( 4.186 -9.786 12.564) 16.466 8.435 ( -3.534 13.014 1.821) 13.608 8.617 ( 1.904 1.003 -6.499) 6.846 8.961 ( 1.298 3.670 0.018) 3.893 9.499 ( 1.890 0.616 8.080) 8.321 9.654 ( 6.411 -5.946 -5.512) 10.336 9.794 ( 0.311 -0.956 0.167) 1.019 10.109 ( -8.189 5.370 -3.335) 10.345 10.490 ( 3.029 7.381 -0.032) 7.978 10.876 ( 1.578 -6.328 -5.281) 8.392 11.185 ( 4.035 4.745 -20.545) 21.468 11.796 ( -4.739 5.785 -2.720) 7.957 12.257 ( -2.717 3.754 -11.695) 12.580 13.770 ( -3.395 1.242 16.694) 17.081 13.915 ( -4.009 -12.876 10.297) 16.968 ======================= Grid point 200 (99/275) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 17.412 10.869 14.270) 24.999 1.912 ( 5.515 13.207 15.633) 21.196 2.691 ( 2.445 7.045 3.452) 8.218 2.881 ( -3.371 -7.319 5.870) 9.970 3.167 ( 1.958 -5.551 2.786) 6.512 3.187 ( -7.799 4.708 7.496) 11.798 3.323 ( -2.380 5.691 5.523) 8.280 3.910 ( -8.056 -8.030 28.795) 30.960 4.730 ( 9.225 1.606 4.447) 10.366 4.823 ( 3.148 -6.215 -11.121) 13.123 5.128 ( 2.338 1.974 -1.929) 3.617 5.628 ( -6.885 0.173 -0.029) 6.887 5.979 ( -7.306 -5.566 -0.726) 9.213 6.131 ( -5.298 -1.986 7.261) 9.205 6.526 ( 5.072 -7.285 -3.622) 9.587 6.717 ( 9.461 -9.142 1.133) 13.205 7.229 ( 6.655 5.222 -4.121) 9.409 7.741 ( 1.532 1.401 2.341) 3.128 7.947 ( 1.842 -8.265 11.464) 14.252 8.218 ( -4.335 12.818 2.699) 13.798 8.611 ( -1.886 0.928 -5.668) 6.045 8.840 ( -5.471 8.992 0.889) 10.563 9.508 ( -4.761 -6.647 8.993) 12.155 9.819 ( -2.039 -1.336 3.148) 3.981 9.847 ( 8.107 -5.739 -4.212) 10.788 10.008 ( 7.961 4.561 -6.640) 11.326 10.456 ( 4.228 8.792 -1.532) 9.875 10.955 ( 1.777 -1.617 -11.847) 12.089 11.148 ( 6.794 5.923 -14.029) 16.675 11.637 ( -4.299 7.159 -5.607) 10.058 12.169 ( -2.489 -0.786 -9.076) 9.443 13.727 ( -7.392 -0.706 17.658) 19.156 14.002 ( -3.659 -10.261 9.061) 14.170 ======================= Grid point 201 (100/275) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 4.674 13.642 11.378) 18.369 2.085 ( 17.708 13.518 11.326) 24.991 2.641 ( 5.161 10.127 7.985) 13.891 2.874 ( -6.221 -4.830 11.486) 13.927 3.001 ( -7.493 4.248 5.730) 10.345 3.254 ( 6.354 1.917 -7.128) 9.739 3.370 ( -2.107 -10.491 9.470) 14.290 3.958 ( -7.061 -9.248 30.565) 32.705 4.776 ( -2.993 -2.069 1.338) 3.877 4.945 ( 2.714 -5.837 -3.568) 7.360 5.190 ( 10.427 2.620 -5.407) 12.034 5.554 ( -1.020 0.536 -1.170) 1.642 5.907 ( -9.011 -4.208 1.400) 10.043 6.050 ( -5.155 2.951 3.512) 6.901 6.612 ( 2.855 -5.485 -4.671) 7.749 7.028 ( 8.652 -10.808 2.138) 14.008 7.262 ( 5.749 4.580 -4.385) 8.559 7.751 ( -3.988 11.290 -5.075) 13.004 7.818 ( -6.800 0.443 6.489) 9.410 8.237 ( 5.615 -2.111 5.411) 8.078 8.444 ( -9.415 8.568 6.977) 14.517 8.755 ( 1.205 0.456 -3.647) 3.868 9.557 ( -4.059 -9.773 8.634) 13.657 9.732 ( -3.926 1.798 8.093) 9.173 10.066 ( 6.282 -0.527 -9.360) 11.285 10.148 ( 15.039 -3.639 -0.340) 15.476 10.430 ( 4.887 8.532 -9.944) 13.984 10.845 ( -0.355 10.622 -18.471) 21.310 11.217 ( 5.720 1.110 -1.776) 6.091 11.504 ( -1.217 4.868 -9.309) 10.576 12.159 ( 0.294 -5.524 -8.053) 9.770 13.660 ( -9.628 -3.770 19.428) 22.008 14.063 ( -2.055 -4.770 8.599) 10.046 ======================= Grid point 206 (101/275) ======================= q-point: ( 0.44 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 1.315 0.000 11.812) 11.885 2.223 ( -0.263 -0.000 8.653) 8.657 2.259 ( -9.649 -0.000 9.502) 13.542 2.442 ( 6.020 0.000 -1.019) 6.105 2.966 ( -6.780 -0.000 29.358) 30.131 3.342 ( 2.025 0.000 -12.033) 12.203 3.779 ( -4.651 -0.000 18.772) 19.340 4.073 ( 3.703 0.000 -8.499) 9.271 4.528 ( -2.864 -0.000 -8.502) 8.972 4.716 ( 7.775 0.000 12.309) 14.559 5.244 ( 1.292 0.000 -0.011) 1.292 5.466 ( 4.359 0.000 -3.384) 5.518 5.944 ( -15.427 -0.000 -0.921) 15.454 6.123 ( 2.480 0.000 -1.560) 2.930 6.261 ( -15.440 -0.000 5.137) 16.272 6.709 ( -0.181 -0.000 2.898) 2.903 7.102 ( 4.466 0.000 14.619) 15.286 7.513 ( -0.352 -0.000 -1.369) 1.414 7.638 ( 5.870 0.000 4.053) 7.134 8.582 ( 7.440 0.000 -7.841) 10.809 8.820 ( 4.543 0.000 3.903) 5.989 8.866 ( -3.490 -0.000 -1.648) 3.859 9.409 ( 4.684 0.000 1.025) 4.795 9.491 ( 3.548 0.000 7.784) 8.554 9.825 ( -2.505 -0.000 -1.762) 3.063 10.366 ( -8.712 -0.000 -2.542) 9.075 10.545 ( 8.421 0.000 1.869) 8.626 10.791 ( -8.810 -0.000 -10.830) 13.961 11.241 ( 4.139 0.000 -19.026) 19.471 11.927 ( -1.591 -0.000 -1.175) 1.978 12.497 ( -4.460 -0.000 -16.421) 17.016 13.646 ( -2.163 -0.000 15.836) 15.983 13.803 ( -0.966 -0.000 16.614) 16.642 ======================= Grid point 208 (102/275) ======================= q-point: (-0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 2.511 15.323 11.050) 19.058 2.145 ( -0.606 4.723 13.111) 13.949 2.395 ( 2.095 -16.915 4.288) 17.575 2.549 ( 2.469 -6.727 1.017) 7.237 2.970 ( -1.265 2.879 32.133) 32.286 3.307 ( -2.263 -0.080 -11.010) 11.241 3.769 ( -4.999 -2.110 20.900) 21.593 4.060 ( 1.003 13.574 -3.722) 14.111 4.505 ( 5.151 -3.593 -12.503) 13.992 4.798 ( 0.345 3.233 8.404) 9.011 5.223 ( 0.596 5.916 1.539) 6.142 5.543 ( -5.463 -13.429 -3.084) 14.823 5.891 ( 8.997 -0.598 -0.359) 9.024 6.052 ( -10.879 -3.601 2.657) 11.763 6.158 ( -0.354 -1.976 0.518) 2.073 6.705 ( -0.131 2.218 3.276) 3.958 7.225 ( 6.205 1.105 12.470) 13.972 7.563 ( 3.662 -5.316 0.923) 6.521 7.707 ( 1.278 -0.783 4.300) 4.554 8.636 ( 4.258 2.856 -9.887) 11.137 8.731 ( -3.651 10.853 5.713) 12.797 8.930 ( 1.119 -6.203 2.929) 6.951 9.522 ( -3.357 1.030 7.419) 8.208 9.546 ( 9.084 -3.051 -5.662) 11.131 9.765 ( -4.362 -1.266 1.044) 4.661 10.222 ( -5.249 3.934 -2.342) 6.965 10.620 ( 2.885 5.015 -3.248) 6.635 10.735 ( 2.743 -6.289 -4.876) 8.417 11.249 ( 4.687 1.481 -20.247) 20.835 11.866 ( -4.773 1.305 -0.114) 4.950 12.353 ( -4.473 3.548 -17.239) 18.160 13.677 ( -3.957 -5.921 13.571) 15.326 13.820 ( -1.834 0.756 16.588) 16.706 ======================= Grid point 209 (103/275) ======================= q-point: (-0.33 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 9.947 10.913 11.514) 18.724 2.130 ( 3.459 7.624 14.036) 16.343 2.578 ( -5.664 -15.236 1.710) 16.345 2.715 ( 11.674 -4.924 2.193) 12.859 3.036 ( 0.948 0.236 26.778) 26.796 3.229 ( -3.294 -0.182 -8.545) 9.160 3.751 ( -11.997 0.193 23.568) 26.447 3.819 ( -0.498 19.702 4.952) 20.321 4.652 ( 4.799 -9.290 -14.624) 17.978 4.781 ( 2.331 2.934 5.115) 6.341 5.186 ( 1.373 3.719 1.093) 4.113 5.550 ( -6.074 -8.585 -2.647) 10.845 5.893 ( -5.171 -0.310 3.541) 6.275 6.115 ( -0.191 -0.479 1.458) 1.546 6.300 ( 15.575 -11.218 -2.478) 19.354 6.682 ( 0.535 3.223 3.552) 4.826 7.327 ( 6.792 3.624 3.291) 8.372 7.722 ( -0.323 -4.254 10.317) 11.164 7.749 ( 5.176 -6.800 2.555) 8.919 8.523 ( -4.977 14.039 2.562) 15.114 8.637 ( 0.131 2.180 -6.495) 6.853 8.971 ( -3.103 0.932 2.570) 4.136 9.407 ( -8.777 -0.802 5.799) 10.550 9.689 ( 0.762 -8.666 -0.350) 8.707 9.771 ( 3.148 -2.307 0.030) 3.903 10.133 ( 2.434 5.890 -2.482) 6.840 10.618 ( 5.407 6.240 -4.567) 9.435 10.863 ( 5.815 -5.719 -7.413) 11.022 11.251 ( 5.585 3.238 -19.195) 20.251 11.751 ( -6.331 3.162 -0.960) 7.142 12.201 ( -4.010 3.194 -15.669) 16.487 13.682 ( -8.013 -4.606 13.507) 16.367 13.851 ( 0.012 -2.552 15.719) 15.925 ======================= Grid point 210 (104/275) ======================= q-point: (-0.22 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 1.961 7.821 12.512) 14.885 2.260 ( 15.570 4.452 10.882) 19.510 2.590 ( -10.252 -11.068 3.621) 15.515 2.905 ( 7.727 3.388 -4.618) 9.618 3.083 ( -5.479 -1.933 9.751) 11.350 3.245 ( 7.615 0.197 8.220) 11.207 3.470 ( -3.614 19.162 10.854) 22.318 3.797 ( -4.835 -4.378 25.612) 26.429 4.707 ( -1.684 -5.641 -9.111) 10.847 4.842 ( 0.205 -2.526 3.366) 4.214 5.219 ( 5.818 0.165 -2.060) 6.175 5.541 ( -1.147 -3.402 -3.861) 5.272 5.845 ( -3.921 0.541 5.715) 6.952 6.088 ( -1.114 -0.485 -3.569) 3.770 6.580 ( 6.326 1.646 -0.373) 6.547 6.778 ( 10.228 -10.432 2.577) 14.835 7.378 ( 5.236 5.584 -1.778) 7.859 7.743 ( -2.090 -3.314 7.216) 8.211 7.912 ( -0.810 -2.795 4.997) 5.783 8.295 ( -3.823 10.185 1.675) 11.007 8.575 ( -3.514 3.423 -0.796) 4.969 8.840 ( -4.582 6.847 2.263) 8.544 9.355 ( -7.151 -8.422 5.135) 12.183 9.732 ( -1.356 -2.023 8.449) 8.793 9.958 ( 12.100 -8.241 -6.332) 15.951 10.149 ( 5.123 2.876 -0.937) 5.949 10.598 ( 2.302 7.090 -7.690) 10.711 10.964 ( 6.416 0.320 -18.377) 19.468 11.263 ( 5.003 3.025 -10.019) 11.600 11.605 ( -5.550 3.898 -3.615) 7.686 12.085 ( -3.401 -0.713 -11.739) 12.243 13.609 ( -9.329 -1.681 16.606) 19.121 13.953 ( 2.094 -4.755 12.965) 13.967 ======================= Grid point 211 (105/275) ======================= q-point: (-0.11 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 2.167 7.878 11.957) 14.482 2.448 ( 7.322 6.206 4.402) 10.560 2.532 ( -9.374 -9.261 2.933) 13.500 2.886 ( -3.060 3.734 1.096) 4.950 2.936 ( -5.809 9.043 -0.846) 10.781 3.357 ( 1.761 -0.101 21.098) 21.171 3.474 ( 11.136 4.210 7.652) 14.152 3.902 ( 3.368 -5.546 22.622) 23.534 4.700 ( -2.519 -2.049 1.214) 3.467 4.837 ( -5.878 -6.300 -0.988) 8.673 5.288 ( -2.362 -3.464 0.622) 4.239 5.608 ( 9.266 -1.121 -6.967) 11.647 5.739 ( -7.071 2.842 1.346) 7.738 6.112 ( 7.053 3.133 -5.075) 9.236 6.621 ( 3.123 0.290 -0.085) 3.137 7.030 ( 3.155 -7.289 2.248) 8.254 7.377 ( 3.368 3.965 -2.385) 5.723 7.642 ( -16.383 8.483 4.056) 18.889 7.841 ( 3.311 -0.490 0.901) 3.466 8.292 ( 0.424 -2.630 5.339) 5.966 8.448 ( -3.249 9.825 7.054) 12.523 8.772 ( 1.247 0.899 -2.831) 3.221 9.368 ( -6.544 -11.640 7.211) 15.176 9.755 ( 0.104 1.050 8.214) 8.281 10.113 ( 1.702 1.115 -3.396) 3.959 10.327 ( 14.652 -7.015 -2.392) 16.420 10.478 ( -3.228 7.014 -19.208) 20.702 10.987 ( 10.669 7.939 -16.329) 21.059 11.251 ( -2.718 0.703 -0.178) 2.813 11.504 ( -0.629 2.918 -8.275) 8.797 12.068 ( -0.198 -7.236 -9.120) 11.643 13.539 ( -7.200 -1.695 19.486) 20.842 14.063 ( 2.159 -2.047 10.718) 11.124 ======================= Grid point 217 (106/275) ======================= q-point: (-0.44 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -0.316 -0.000 13.944) 13.948 2.259 ( 1.927 0.000 3.808) 4.268 2.323 ( 4.236 0.000 6.194) 7.504 2.641 ( 13.917 0.000 6.980) 15.569 3.068 ( 0.443 0.000 33.261) 33.263 3.221 ( -4.665 -0.000 -11.019) 11.966 3.697 ( -9.175 -0.000 24.021) 25.713 4.155 ( -2.401 -0.000 -2.225) 3.274 4.490 ( 5.131 0.000 -19.150) 19.826 4.826 ( -1.685 -0.000 7.435) 7.623 5.281 ( -1.969 -0.000 4.371) 4.794 5.373 ( -0.706 -0.000 -4.020) 4.082 5.911 ( -3.684 -0.000 2.672) 4.551 6.117 ( -3.065 -0.000 -2.199) 3.772 6.150 ( 19.949 0.000 -0.454) 19.954 6.737 ( 0.846 0.000 4.523) 4.601 7.371 ( 5.330 0.000 17.753) 18.535 7.615 ( 7.650 0.000 -3.899) 8.586 7.712 ( -1.461 -0.000 4.704) 4.925 8.651 ( -0.311 -0.000 -10.880) 10.884 8.762 ( -7.702 -0.000 11.200) 13.593 8.898 ( 2.391 0.000 -0.121) 2.394 9.493 ( -9.859 -0.000 -5.629) 11.353 9.510 ( -1.715 -0.000 10.182) 10.326 9.744 ( 3.498 0.000 -0.178) 3.502 10.206 ( 0.027 0.000 -0.502) 0.503 10.713 ( 10.903 0.000 -14.264) 17.954 10.763 ( 2.300 0.000 0.717) 2.410 11.285 ( 5.516 0.000 -19.320) 20.092 11.781 ( -6.903 -0.000 0.842) 6.954 12.248 ( -4.416 -0.000 -19.491) 19.985 13.611 ( -5.245 -0.000 14.015) 14.964 13.839 ( -1.569 -0.000 17.041) 17.114 ======================= Grid point 219 (107/275) ======================= q-point: (-0.33 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -1.071 3.525 13.001) 13.513 2.264 ( -3.090 -4.347 7.283) 9.027 2.422 ( 2.727 -1.864 3.262) 4.642 2.957 ( 16.049 1.259 7.963) 17.959 3.085 ( -5.421 2.289 1.357) 6.038 3.218 ( 8.192 -2.194 17.213) 19.189 3.627 ( -9.120 -1.752 25.092) 26.756 3.984 ( -4.369 14.114 2.637) 15.008 4.561 ( 3.056 -6.304 -17.771) 19.102 4.822 ( -1.438 -0.168 6.415) 6.577 5.216 ( -5.236 -0.068 4.473) 6.887 5.440 ( 5.519 -3.841 -6.608) 9.427 5.905 ( 1.491 2.960 5.122) 6.101 6.056 ( -2.198 -1.333 -7.488) 7.917 6.502 ( 18.977 -5.767 -1.140) 19.866 6.750 ( 1.581 3.647 5.703) 6.951 7.472 ( 3.756 2.550 10.796) 11.712 7.684 ( -4.295 -1.204 7.864) 9.041 7.785 ( 8.357 -5.738 -0.478) 10.148 8.529 ( -8.439 7.761 -5.681) 12.795 8.635 ( -4.668 2.977 4.347) 7.039 8.922 ( -2.542 -1.155 3.119) 4.186 9.269 ( -11.607 1.337 0.717) 11.706 9.645 ( 8.329 -5.257 8.461) 12.985 9.811 ( 4.325 -3.703 -3.077) 6.472 10.211 ( 1.883 2.035 0.748) 2.872 10.723 ( -1.217 4.193 -6.527) 7.852 10.914 ( 13.037 -3.205 -17.582) 22.121 11.314 ( 4.831 1.372 -14.883) 15.708 11.653 ( -8.574 0.838 1.004) 8.673 12.111 ( -4.947 1.680 -17.515) 18.278 13.573 ( -5.889 -1.398 14.690) 15.888 13.887 ( 1.559 -1.342 16.730) 16.856 ======================= Grid point 220 (108/275) ======================= q-point: (-0.22 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -2.455 2.780 12.189) 12.741 2.272 ( -10.207 -11.814 8.300) 17.682 2.479 ( 2.316 0.236 0.850) 2.478 2.963 ( -2.581 2.425 -6.729) 7.604 3.098 ( 2.215 4.532 14.059) 14.936 3.459 ( 8.527 4.309 16.380) 18.963 3.570 ( -3.781 2.883 22.305) 22.806 3.896 ( 9.438 7.049 7.138) 13.774 4.611 ( 1.441 -5.511 -11.992) 13.276 4.779 ( -7.027 0.671 7.268) 10.132 5.150 ( -9.897 -7.864 4.510) 13.421 5.584 ( 11.862 -0.978 -10.110) 15.617 5.844 ( -4.765 4.599 3.252) 7.378 6.104 ( 8.946 -1.320 -9.945) 13.442 6.735 ( 4.263 7.791 4.573) 9.990 6.843 ( 10.893 -8.739 1.554) 14.052 7.476 ( -0.928 4.397 1.152) 4.639 7.647 ( -7.542 -3.618 11.760) 14.432 7.916 ( 1.930 1.722 -0.444) 2.625 8.300 ( -5.252 5.287 0.931) 7.510 8.568 ( -2.647 1.108 3.184) 4.286 8.863 ( -1.824 5.811 2.183) 6.470 9.148 ( -8.002 -7.345 4.309) 11.685 9.769 ( 2.189 0.796 4.379) 4.960 10.047 ( 12.533 -8.515 -1.650) 15.242 10.234 ( 3.971 -0.097 1.812) 4.366 10.594 ( -5.135 3.924 -15.418) 16.717 11.063 ( 9.807 0.054 -20.285) 22.532 11.306 ( -0.960 3.587 -5.577) 6.700 11.531 ( -4.123 -0.594 -2.592) 4.906 11.983 ( -4.054 -0.669 -12.451) 13.112 13.533 ( -4.635 0.540 16.799) 17.435 14.006 ( 4.422 -2.695 14.296) 15.205 ======================= Grid point 221 (109/275) ======================= q-point: (-0.11 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -5.376 -1.039 11.184) 12.452 2.247 ( -8.460 -8.932 7.916) 14.629 2.466 ( -7.374 -4.120 0.755) 8.481 2.896 ( 0.586 4.636 -6.220) 7.780 3.066 ( 3.494 14.529 4.939) 15.738 3.479 ( 1.458 5.032 21.113) 21.753 3.614 ( 0.851 0.307 18.786) 18.808 4.060 ( 8.092 1.933 9.910) 12.939 4.612 ( -16.848 -3.313 5.529) 18.038 4.704 ( 6.458 -4.133 -3.671) 8.500 5.090 ( -8.956 -7.586 1.682) 11.857 5.690 ( -1.252 4.667 -1.182) 4.974 5.814 ( 12.791 0.528 -7.900) 15.044 6.275 ( 13.937 -1.018 -10.876) 17.708 6.727 ( 3.600 7.308 6.355) 10.332 6.996 ( -2.185 -0.940 1.304) 2.713 7.389 ( -7.113 1.594 0.245) 7.293 7.525 ( -6.270 3.921 5.532) 9.236 7.890 ( 2.051 1.836 1.448) 3.110 8.244 ( -5.391 -0.110 5.887) 7.983 8.535 ( 0.360 4.011 4.654) 6.154 8.805 ( 1.810 2.685 -2.220) 3.926 9.177 ( -3.692 -11.039 7.767) 13.993 9.761 ( -3.854 1.874 2.458) 4.940 10.103 ( -4.420 0.111 -1.118) 4.560 10.395 ( -0.693 2.553 -13.828) 14.079 10.502 ( 11.107 -3.457 -10.105) 15.409 11.136 ( -3.444 -5.220 -5.709) 8.467 11.218 ( 8.066 6.008 -8.114) 12.923 11.502 ( -0.006 1.468 -6.656) 6.816 11.958 ( -0.234 -7.002 -8.899) 11.326 13.516 ( -2.177 1.341 18.974) 19.146 14.133 ( 4.190 -0.191 11.685) 12.415 ======================= Grid point 228 (110/275) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -11.966 -0.000 8.812) 14.861 2.111 ( -3.269 -0.000 13.981) 14.358 2.484 ( 2.009 0.000 -0.462) 2.062 2.990 ( -4.005 -0.000 -5.247) 6.601 3.152 ( 3.421 0.000 19.610) 19.906 3.497 ( 14.314 0.000 16.164) 21.591 3.575 ( -4.311 -0.000 22.092) 22.509 4.035 ( 3.903 0.000 3.575) 5.293 4.537 ( 2.947 0.000 -17.318) 17.567 4.806 ( -2.006 -0.000 7.828) 8.081 5.039 ( -16.429 -0.000 7.207) 17.940 5.573 ( 13.921 0.000 -11.856) 18.285 5.886 ( -6.706 -0.000 1.997) 6.997 6.104 ( 10.860 0.000 -8.810) 13.985 6.732 ( 11.975 0.000 2.498) 12.233 6.840 ( 6.312 0.000 2.590) 6.822 7.527 ( -2.875 -0.000 8.508) 8.981 7.599 ( -7.879 -0.000 11.435) 13.886 7.907 ( 9.902 0.000 -1.209) 9.976 8.430 ( -7.279 -0.000 -4.793) 8.716 8.532 ( -9.745 -0.000 6.113) 11.504 8.910 ( 0.399 0.000 2.597) 2.628 9.100 ( -9.306 -0.000 3.297) 9.873 9.808 ( 0.528 0.000 -2.367) 2.426 9.891 ( 18.851 0.000 5.923) 19.760 10.245 ( 0.540 0.000 2.605) 2.660 10.638 ( -6.500 -0.000 -13.815) 15.268 11.054 ( 9.708 0.000 -20.937) 23.078 11.351 ( 3.303 0.000 -10.451) 10.961 11.514 ( -8.637 -0.000 1.761) 8.815 11.989 ( -5.220 -0.000 -14.746) 15.643 13.542 ( -2.618 -0.000 15.358) 15.579 13.973 ( 4.470 0.000 16.322) 16.923 ======================= Grid point 229 (111/275) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -15.801 -4.655 10.412) 19.488 2.093 ( -6.450 -3.651 14.195) 16.013 2.462 ( -3.360 1.194 -0.384) 3.586 2.959 ( 1.867 1.431 -4.131) 4.754 3.234 ( 3.862 3.225 14.573) 15.417 3.599 ( -0.527 1.192 19.301) 19.345 3.621 ( 0.129 2.250 16.604) 16.756 4.162 ( 9.561 5.300 5.533) 12.252 4.516 ( -8.360 -3.936 -6.442) 11.264 4.717 ( -7.189 4.618 2.571) 8.923 4.905 ( -2.812 -8.819 4.410) 10.253 5.756 ( 3.955 2.641 -4.752) 6.723 5.811 ( 7.151 -1.882 -7.620) 10.618 6.272 ( 13.531 1.065 -9.024) 16.299 6.847 ( 2.101 1.177 10.392) 10.668 6.988 ( 10.739 1.740 -3.670) 11.481 7.398 ( -11.645 0.100 0.849) 11.676 7.540 ( -6.600 -1.352 12.427) 14.135 8.012 ( 4.213 5.764 0.617) 7.166 8.274 ( -5.204 5.018 2.492) 7.646 8.468 ( -5.690 -9.008 2.264) 10.892 8.913 ( 0.603 4.005 2.596) 4.810 9.027 ( -1.818 -2.217 4.901) 5.679 9.791 ( -1.195 1.064 -1.106) 1.945 10.094 ( -5.035 -1.023 -0.209) 5.142 10.335 ( 11.971 -3.710 0.358) 12.538 10.508 ( -0.478 1.298 -15.517) 15.578 11.049 ( -5.570 -2.209 -12.776) 14.111 11.338 ( 2.332 4.917 -6.751) 8.671 11.465 ( 0.430 -3.985 -5.768) 7.024 11.892 ( -1.881 -0.365 -10.253) 10.430 13.558 ( -0.115 1.629 16.044) 16.126 14.113 ( 6.534 -1.012 14.523) 15.957 ======================= Grid point 230 (112/275) ======================= q-point: (-0.11 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -16.090 -10.190 10.820) 21.904 2.065 ( -11.210 -10.155 12.871) 19.861 2.377 ( -2.750 5.597 5.117) 8.067 2.947 ( 1.275 4.098 -5.674) 7.115 3.286 ( 5.623 7.797 5.328) 10.991 3.584 ( -1.787 3.733 16.684) 17.190 3.670 ( -0.982 -0.015 19.309) 19.334 4.179 ( -3.197 5.344 10.394) 12.117 4.239 ( -21.437 -3.379 5.831) 22.472 4.726 ( 2.641 -5.494 -7.298) 9.509 5.020 ( 6.527 -2.201 -0.393) 6.900 5.700 ( -1.286 2.114 0.369) 2.502 6.032 ( 15.618 0.397 -6.582) 16.953 6.466 ( 14.553 -0.543 -10.390) 17.890 6.863 ( -1.315 4.523 9.803) 10.876 6.985 ( -1.871 9.699 -3.175) 10.375 7.255 ( -8.335 -0.793 3.143) 8.943 7.486 ( -2.868 -3.131 4.157) 5.942 7.962 ( 0.759 6.335 2.026) 6.694 8.162 ( -7.995 2.520 4.829) 9.674 8.520 ( -1.053 -7.582 3.232) 8.309 8.882 ( 2.356 5.257 0.816) 5.818 9.096 ( 2.488 -5.217 6.347) 8.584 9.675 ( -11.524 5.370 -4.702) 13.556 9.962 ( -7.129 -5.791 -4.620) 10.281 10.391 ( 0.298 2.763 -9.114) 9.528 10.594 ( 4.081 0.104 -6.851) 7.975 10.955 ( -6.507 -8.319 -1.452) 10.660 11.350 ( 4.678 0.448 -11.310) 12.248 11.499 ( 2.111 -2.313 -6.649) 7.349 11.907 ( 4.955 -2.693 -7.200) 9.145 13.585 ( 0.865 2.974 17.245) 17.521 14.258 ( 6.611 1.619 12.218) 13.986 ======================= Grid point 238 (113/275) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -19.065 -0.000 14.002) 23.654 1.956 ( -12.723 -0.000 13.273) 18.386 2.442 ( -0.846 -0.000 5.907) 5.967 2.993 ( 1.164 0.000 -4.704) 4.846 3.357 ( 4.747 0.000 9.852) 10.936 3.639 ( -3.769 -0.000 14.922) 15.390 3.659 ( -0.860 -0.000 18.925) 18.944 4.187 ( -24.031 -0.000 3.887) 24.343 4.283 ( -0.625 -0.000 10.790) 10.808 4.656 ( 1.542 0.000 -10.092) 10.209 4.988 ( 10.368 0.000 0.897) 10.407 5.719 ( -2.679 -0.000 0.499) 2.725 6.028 ( 17.105 0.000 -8.543) 19.119 6.475 ( 13.928 0.000 -9.730) 16.990 6.925 ( 3.362 0.000 11.121) 11.618 7.147 ( 7.914 0.000 -5.098) 9.414 7.170 ( -15.510 -0.000 1.101) 15.549 7.442 ( -8.456 -0.000 9.235) 12.522 8.122 ( 2.438 0.000 1.295) 2.761 8.221 ( -9.537 -0.000 0.823) 9.572 8.311 ( -1.491 -0.000 5.410) 5.612 8.966 ( 1.341 0.000 3.854) 4.081 9.049 ( 4.197 0.000 3.198) 5.277 9.764 ( -2.432 -0.000 -2.162) 3.254 9.867 ( -17.862 -0.000 -9.040) 20.019 10.411 ( 1.367 0.000 -6.774) 6.911 10.601 ( 10.123 0.000 -2.595) 10.451 10.843 ( -13.092 -0.000 -5.230) 14.098 11.383 ( 0.312 0.000 -6.248) 6.256 11.437 ( 2.495 0.000 -11.954) 12.212 11.892 ( 5.817 0.000 -6.832) 8.973 13.626 ( 1.477 0.000 15.082) 15.154 14.271 ( 8.793 0.000 13.769) 16.337 ======================= Grid point 239 (114/275) ======================= q-point: (-0.11 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -17.595 -8.759 15.632) 25.113 1.777 ( -17.582 -5.122 12.997) 22.457 2.435 ( -2.471 3.596 11.371) 12.179 2.943 ( -5.210 0.573 3.027) 6.053 3.402 ( -0.246 2.373 0.079) 2.387 3.552 ( -15.456 2.190 17.844) 23.708 3.648 ( -1.530 -0.777 15.728) 15.821 3.994 ( 0.002 -0.839 1.165) 1.436 4.251 ( -3.050 4.561 15.435) 16.381 4.700 ( 3.995 -3.140 -8.885) 10.235 5.118 ( 5.591 0.244 -4.893) 7.433 5.713 ( 1.680 -0.342 2.360) 2.917 6.257 ( 11.956 0.534 -0.098) 11.968 6.652 ( 9.824 -0.896 -10.847) 14.662 6.845 ( -9.414 12.861 4.627) 16.596 7.081 ( 5.729 -2.244 2.977) 6.836 7.175 ( -3.646 4.122 0.359) 5.515 7.369 ( -5.547 -8.057 2.728) 10.156 8.046 ( -1.797 8.399 0.872) 8.633 8.091 ( -5.264 4.353 2.618) 7.316 8.394 ( -1.422 -12.447 2.717) 12.820 8.971 ( 0.870 3.923 5.879) 7.121 9.162 ( 7.508 -1.290 2.195) 7.928 9.482 ( -17.847 7.054 -10.768) 22.006 9.774 ( -3.841 -9.207 -3.130) 10.455 10.391 ( -0.731 1.293 -6.208) 6.383 10.575 ( -8.443 5.233 -1.867) 10.107 10.774 ( -1.820 -11.214 -3.604) 11.919 11.330 ( -3.442 0.975 -7.026) 7.884 11.462 ( 1.513 -4.590 -11.536) 12.507 12.024 ( 11.407 0.213 -5.524) 12.676 13.676 ( 0.991 2.045 15.296) 15.464 14.452 ( 10.545 2.901 11.018) 15.524 ======================= Grid point 248 (115/275) ======================= q-point: (-0.11 -0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -16.053 -0.000 19.928) 25.590 1.469 ( -22.617 -0.000 13.294) 26.235 2.304 ( -20.778 -0.000 19.991) 28.834 2.961 ( 7.331 0.000 22.027) 23.215 3.331 ( -7.285 -0.000 -3.732) 8.185 3.386 ( -9.531 -0.000 4.720) 10.636 3.724 ( 3.707 0.000 13.323) 13.829 4.071 ( 6.414 0.000 0.249) 6.419 4.268 ( -3.661 -0.000 19.802) 20.138 4.743 ( 6.031 0.000 -7.645) 9.737 5.157 ( 1.523 0.000 -9.109) 9.235 5.774 ( 5.233 0.000 4.355) 6.808 6.395 ( 3.112 0.000 7.967) 8.553 6.563 ( -12.333 -0.000 -3.411) 12.796 7.003 ( 12.504 0.000 -5.926) 13.837 7.162 ( -9.436 -0.000 4.237) 10.343 7.163 ( 2.266 0.000 -1.381) 2.654 7.191 ( 2.285 0.000 0.201) 2.293 8.054 ( -2.327 -0.000 -1.731) 2.900 8.110 ( 0.692 0.000 1.046) 1.254 8.250 ( -5.982 -0.000 -3.293) 6.828 9.021 ( 0.530 0.000 10.396) 10.409 9.208 ( -16.348 -0.000 -9.025) 18.674 9.297 ( 9.240 0.000 0.533) 9.255 9.665 ( -1.821 -0.000 -2.144) 2.813 10.352 ( -3.370 -0.000 -5.979) 6.863 10.446 ( -10.266 -0.000 2.087) 10.476 10.647 ( -4.791 -0.000 -2.755) 5.527 11.244 ( -6.067 -0.000 -2.371) 6.513 11.420 ( 1.213 0.000 -14.241) 14.293 12.182 ( 8.960 0.000 -5.884) 10.720 13.736 ( 0.080 0.000 14.582) 14.582 14.690 ( 12.619 0.000 4.336) 13.344 ======================= Grid point 249 (116/275) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -6.636 -0.000 24.508) 25.390 1.499 ( 8.929 0.000 21.176) 22.982 2.556 ( -2.685 -0.000 23.412) 23.565 2.889 ( -6.387 -0.000 -10.186) 12.023 3.200 ( -4.688 -0.000 -5.637) 7.331 3.749 ( -1.507 -0.000 -7.066) 7.225 3.927 ( -6.156 -0.000 29.450) 30.087 4.312 ( 16.008 0.000 -2.259) 16.166 4.833 ( -0.763 -0.000 -12.258) 12.281 4.892 ( 5.547 0.000 -0.256) 5.553 4.973 ( -5.192 -0.000 36.169) 36.540 5.975 ( -4.102 -0.000 4.753) 6.278 6.279 ( -9.123 -0.000 3.668) 9.833 6.535 ( -8.468 -0.000 8.067) 11.696 6.771 ( -7.197 -0.000 -5.420) 9.010 7.002 ( -0.132 -0.000 1.164) 1.172 7.211 ( 13.043 0.000 -9.877) 16.360 7.300 ( -2.117 -0.000 -3.375) 3.984 7.785 ( -7.520 -0.000 -0.156) 7.522 7.957 ( 0.343 0.000 1.588) 1.624 8.357 ( 9.473 0.000 -1.753) 9.634 8.549 ( 0.526 0.000 -13.266) 13.277 9.565 ( 4.328 0.000 0.626) 4.373 9.704 ( 8.161 0.000 -0.552) 8.180 9.710 ( 10.340 0.000 10.152) 14.490 10.139 ( -7.475 -0.000 2.953) 8.037 10.282 ( -6.217 -0.000 4.439) 7.639 10.690 ( -2.795 -0.000 10.477) 10.844 11.048 ( -0.506 -0.000 -2.121) 2.180 11.104 ( 1.470 0.000 -13.310) 13.391 12.165 ( 1.480 0.000 -6.345) 6.515 14.094 ( 0.212 0.000 13.012) 13.014 14.554 ( -7.466 -0.000 -10.630) 12.989 ======================= Grid point 250 (117/275) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -2.349 -8.710 22.257) 24.015 1.816 ( 17.820 -2.649 19.228) 26.350 2.657 ( 6.741 -1.246 22.149) 23.186 2.774 ( -3.925 -0.507 -9.414) 10.212 3.092 ( -6.050 -0.051 -10.740) 12.327 3.647 ( -4.875 7.320 -3.448) 9.446 3.830 ( -12.583 -0.829 27.401) 30.163 4.601 ( 17.582 2.401 -6.162) 18.785 4.771 ( 0.272 0.071 -5.665) 5.672 4.938 ( -0.846 -1.250 1.585) 2.188 4.999 ( -2.176 2.020 28.909) 29.061 5.862 ( -9.492 3.851 7.591) 12.749 6.100 ( -9.396 3.566 1.740) 10.199 6.378 ( -14.614 -1.159 7.557) 16.493 6.667 ( -0.943 3.144 -6.309) 7.112 7.052 ( 5.253 -0.359 1.097) 5.378 7.275 ( -0.971 -2.883 -5.472) 6.261 7.313 ( 7.918 8.439 -3.993) 12.242 7.773 ( -4.228 -12.354 0.243) 13.060 8.036 ( 3.328 -6.709 -1.228) 7.590 8.457 ( 5.876 2.303 -1.409) 6.467 8.592 ( 5.831 -1.781 -7.748) 9.859 9.634 ( 3.203 -2.809 -0.263) 4.269 9.864 ( 11.011 2.831 -0.881) 11.403 9.899 ( 9.494 -0.124 4.056) 10.325 10.036 ( -3.665 -0.426 2.387) 4.395 10.218 ( -5.223 -2.902 5.766) 8.304 10.605 ( -8.499 1.768 5.276) 10.159 11.092 ( 6.622 0.602 -3.644) 7.582 11.134 ( 2.373 -4.420 -9.117) 10.406 12.151 ( 0.428 1.730 -6.910) 7.136 14.123 ( -0.496 1.782 12.573) 12.708 14.367 ( -9.986 2.139 -4.514) 11.166 ======================= Grid point 251 (118/275) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 2.944 -15.070 16.109) 22.255 2.124 ( 7.414 -7.052 15.697) 18.738 2.663 ( -2.921 0.108 -10.123) 10.537 2.855 ( -5.546 1.526 3.173) 6.569 3.077 ( 17.423 -2.583 2.763) 17.829 3.439 ( -7.765 10.876 3.089) 13.716 3.748 ( -7.373 -2.186 21.363) 22.705 4.613 ( -2.244 5.735 4.129) 7.414 4.895 ( -4.662 -4.211 0.454) 6.299 4.967 ( 10.843 3.819 5.271) 12.647 5.035 ( 8.041 2.419 6.937) 10.892 5.645 ( -11.735 4.888 3.940) 13.309 5.985 ( -4.281 0.809 5.629) 7.118 6.143 ( -17.979 -1.774 6.624) 19.242 6.626 ( 2.498 4.658 -6.178) 8.130 7.151 ( 5.598 2.123 -3.327) 6.849 7.268 ( -0.670 -2.903 1.745) 3.453 7.320 ( -1.698 -3.202 -3.288) 4.893 7.869 ( 2.639 -5.498 0.590) 6.127 8.160 ( 2.784 -8.317 -1.408) 8.883 8.491 ( -0.327 0.343 1.280) 1.364 8.690 ( 6.588 0.303 -3.565) 7.497 9.719 ( 1.403 -4.535 -2.297) 5.274 9.857 ( -0.902 4.341 1.526) 4.689 10.003 ( 3.685 3.418 4.362) 6.656 10.162 ( 4.064 -5.382 -1.855) 6.995 10.227 ( 5.222 -1.345 4.927) 7.304 10.479 ( -2.654 0.136 -1.915) 3.276 11.149 ( 0.812 -4.511 -11.095) 12.005 11.234 ( 6.934 -0.074 -0.759) 6.976 12.108 ( 0.914 4.362 -8.883) 9.938 14.060 ( -6.099 6.024 8.401) 12.003 14.249 ( -3.438 -1.203 6.200) 7.191 ======================= Grid point 252 (119/275) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 6.037 -15.104 10.195) 19.197 2.318 ( 1.830 -10.484 9.092) 13.998 2.611 ( -1.849 -2.709 -8.575) 9.181 2.661 ( -11.026 2.193 -1.906) 11.402 3.194 ( -9.409 9.452 4.958) 14.229 3.425 ( 11.930 -1.357 4.946) 12.986 3.804 ( 6.295 -1.996 19.985) 21.048 4.542 ( 0.314 6.783 10.949) 12.884 4.826 ( -6.038 0.635 7.752) 9.846 4.974 ( -1.134 6.476 5.693) 8.696 5.251 ( 10.082 -0.312 -3.166) 10.572 5.514 ( 3.914 1.041 -4.817) 6.293 5.778 ( -22.073 -0.604 4.647) 22.565 6.055 ( -0.261 -3.374 7.904) 8.598 6.608 ( 3.990 5.102 -5.855) 8.731 7.114 ( -5.348 -0.839 -3.861) 6.650 7.302 ( -6.331 -6.878 -2.395) 9.650 7.382 ( 6.578 -3.261 5.987) 9.474 7.948 ( 2.852 -0.282 1.424) 3.200 8.301 ( 2.924 -9.705 1.009) 10.186 8.452 ( -4.934 -0.351 3.901) 6.299 8.761 ( 5.262 2.975 -1.439) 6.213 9.675 ( -4.220 4.843 1.515) 6.600 9.878 ( -1.758 -3.065 -10.932) 11.489 9.992 ( -0.201 2.106 14.543) 14.696 10.131 ( -6.023 -3.490 -1.097) 7.047 10.361 ( 7.222 1.570 -2.715) 7.874 10.645 ( 19.001 -3.178 -4.851) 19.866 11.162 ( -1.367 -3.968 -10.777) 11.565 11.311 ( 2.115 -0.535 -0.479) 2.234 12.040 ( 2.202 7.745 -11.477) 14.020 13.925 ( -4.977 5.162 9.970) 12.281 14.259 ( -1.308 -2.152 9.362) 9.695 ======================= Grid point 253 (120/275) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 4.677 -9.968 8.535) 13.932 2.394 ( -7.362 -0.479 -2.145) 7.683 2.480 ( -1.578 1.075 -0.958) 2.136 2.704 ( 2.556 -12.592 -0.488) 12.858 2.968 ( -9.436 5.230 9.330) 14.263 3.520 ( -1.823 -5.403 -0.809) 5.759 4.001 ( 6.707 1.365 18.417) 19.648 4.552 ( 2.213 5.292 17.050) 17.989 4.765 ( 1.211 3.214 0.109) 3.436 4.854 ( -5.497 7.910 8.216) 12.660 5.231 ( -15.047 0.850 5.083) 15.905 5.495 ( -10.146 -9.051 -1.147) 13.645 5.742 ( 22.720 4.229 -7.698) 24.358 6.139 ( 4.322 -2.730 2.588) 5.730 6.629 ( 4.525 0.452 -4.227) 6.209 7.008 ( -9.063 -2.460 -1.686) 9.541 7.251 ( -9.299 -8.101 -0.674) 12.351 7.535 ( 6.274 -1.914 7.410) 9.896 7.973 ( 0.800 1.831 1.743) 2.651 8.373 ( -7.481 -1.356 6.135) 9.769 8.461 ( 2.841 -10.126 3.009) 10.939 8.792 ( 4.170 4.185 -1.042) 5.999 9.549 ( -4.041 6.932 3.562) 8.779 9.693 ( -13.591 2.496 -6.948) 15.467 10.074 ( -0.860 -2.171 0.922) 2.510 10.119 ( 3.238 -3.064 3.979) 5.976 10.434 ( 4.793 0.836 -4.932) 6.928 10.984 ( 21.224 1.046 -6.689) 22.278 11.123 ( -4.843 -2.600 -7.032) 8.926 11.323 ( -0.858 -2.816 -2.363) 3.775 11.950 ( 3.152 10.839 -12.931) 17.165 13.861 ( -1.510 2.841 12.462) 12.871 14.297 ( -0.724 -3.449 8.910) 9.582 ======================= Grid point 254 (121/275) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -9.044 8.274 8.274) 14.789 2.305 ( -4.371 -6.995 2.631) 8.657 2.457 ( 1.514 4.193 3.358) 5.581 2.755 ( -0.277 -0.085 -1.475) 1.504 3.032 ( 2.510 -16.987 6.682) 18.426 3.532 ( -3.037 -7.116 -5.985) 9.781 4.084 ( 1.216 1.612 15.582) 15.712 4.477 ( -14.482 2.570 11.554) 18.704 4.694 ( -6.231 8.941 22.129) 24.667 4.770 ( -0.465 5.339 3.077) 6.180 5.004 ( -4.754 -2.320 -2.124) 5.701 5.556 ( 1.027 -10.595 -2.404) 10.912 6.035 ( 19.235 4.991 1.907) 19.964 6.277 ( 12.172 -0.801 -8.222) 14.710 6.717 ( 2.643 -6.390 -3.284) 7.656 6.876 ( -8.749 -1.858 -0.469) 8.956 7.182 ( -9.808 -8.099 0.745) 12.741 7.648 ( 3.881 0.634 8.338) 9.219 7.946 ( -3.046 0.435 1.185) 3.297 8.274 ( -6.873 1.247 6.280) 9.393 8.602 ( 1.102 -6.079 3.212) 6.964 8.824 ( 4.044 -0.398 0.095) 4.064 9.400 ( -15.667 -1.205 -8.766) 17.993 9.445 ( -1.629 10.540 6.482) 12.481 10.037 ( -0.399 5.166 -1.718) 5.459 10.234 ( 1.079 -6.524 4.715) 8.122 10.466 ( 1.488 0.131 -5.048) 5.265 11.009 ( -5.462 2.589 -6.840) 9.128 11.161 ( 1.792 -0.043 -7.214) 7.433 11.429 ( 11.831 -1.494 -2.585) 12.202 11.849 ( 4.090 10.751 -12.768) 17.185 13.877 ( 0.936 0.549 13.467) 13.510 14.361 ( 0.460 -5.058 6.685) 8.396 ======================= Grid point 255 (122/275) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -11.084 10.177 10.990) 18.634 2.107 ( -15.961 7.080 5.988) 18.459 2.560 ( 4.306 -3.103 9.150) 10.578 2.840 ( 6.621 -5.305 1.085) 8.553 3.217 ( -0.350 -10.181 -2.832) 10.573 3.569 ( 0.206 -8.306 -5.725) 10.090 4.057 ( -13.896 3.177 2.162) 14.417 4.187 ( -11.157 0.976 29.220) 31.293 4.654 ( 2.342 4.635 14.397) 15.305 4.699 ( -3.322 1.228 7.564) 8.352 5.034 ( 2.101 -0.965 -1.507) 2.760 5.698 ( 4.845 -7.270 0.391) 8.745 6.264 ( 12.462 -0.449 4.540) 13.271 6.472 ( 12.477 -0.964 -9.802) 15.896 6.679 ( -12.465 -4.940 1.215) 13.463 6.903 ( 4.996 -4.829 -5.284) 8.729 7.129 ( -6.214 -7.133 0.647) 9.482 7.666 ( 0.589 8.965 8.141) 12.125 7.892 ( -6.685 -6.750 0.611) 9.520 8.174 ( -3.249 4.410 4.314) 6.972 8.596 ( -1.918 5.876 -1.449) 6.348 8.936 ( -1.772 -10.363 -1.974) 10.697 9.148 ( -8.046 1.708 -3.885) 9.097 9.387 ( 1.838 5.795 8.518) 10.465 9.941 ( -1.185 9.566 -1.817) 9.809 10.300 ( -2.450 -5.324 3.614) 6.886 10.459 ( -1.913 -1.986 -2.019) 3.417 10.868 ( -4.786 4.547 -5.333) 8.487 11.122 ( -3.247 -1.753 -8.990) 9.717 11.516 ( 2.892 9.891 -3.959) 11.039 11.869 ( 11.493 1.477 -10.043) 15.334 13.938 ( 1.390 -0.817 13.444) 13.540 14.456 ( 2.239 -6.421 2.222) 7.154 ======================= Grid point 256 (123/275) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -11.538 9.101 14.689) 20.778 1.769 ( -18.195 7.626 11.841) 23.009 2.625 ( -1.851 0.013 10.444) 10.607 3.029 ( 3.205 -8.080 1.015) 8.752 3.245 ( 1.242 -1.061 -4.285) 4.586 3.661 ( -0.064 -6.713 -1.173) 6.816 3.773 ( -11.216 1.310 12.604) 16.923 4.196 ( -2.225 -1.265 18.118) 18.297 4.672 ( 6.223 4.691 -4.845) 9.177 4.741 ( -0.322 -4.085 20.051) 20.466 5.042 ( -2.121 0.153 4.141) 4.655 5.854 ( 6.602 -2.860 3.420) 7.966 6.436 ( -0.396 -2.639 4.440) 5.181 6.575 ( -2.942 -4.514 2.819) 6.081 6.646 ( 8.086 -9.087 -9.225) 15.266 6.939 ( -6.254 -6.378 -2.387) 9.246 7.153 ( -0.098 -3.229 -2.961) 4.382 7.519 ( -3.428 14.657 5.902) 16.168 7.920 ( -0.735 -8.587 0.410) 8.628 8.108 ( 0.870 5.578 1.015) 5.736 8.420 ( -6.447 12.999 -4.137) 15.088 8.814 ( -12.680 -4.408 -15.732) 20.681 9.228 ( 7.423 -4.188 11.165) 14.046 9.427 ( 5.242 1.737 7.256) 9.118 9.796 ( -1.857 11.150 -0.772) 11.330 10.291 ( -5.114 -3.486 2.011) 6.508 10.439 ( -4.285 -2.704 2.836) 5.807 10.742 ( -2.771 4.979 -2.148) 6.089 11.071 ( -3.112 -3.425 -8.598) 9.764 11.377 ( -2.218 11.413 -5.322) 12.787 12.028 ( 9.461 -1.110 -7.751) 12.281 14.002 ( 0.571 -1.084 13.245) 13.302 14.569 ( 2.760 -6.692 -4.483) 8.515 ======================= Grid point 257 (124/275) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -10.646 2.516 16.494) 19.792 1.493 ( -9.974 7.481 21.827) 25.137 2.583 ( -5.286 2.283 18.338) 19.221 3.016 ( -7.405 -3.324 -9.625) 12.590 3.270 ( -1.891 0.294 -0.056) 1.914 3.729 ( 2.178 -6.182 1.192) 6.662 3.802 ( 6.981 0.339 14.543) 16.135 4.207 ( -1.717 -0.470 10.537) 10.686 4.760 ( 8.150 -0.462 -2.740) 8.610 4.829 ( 2.125 -1.410 7.633) 8.048 4.997 ( -5.769 0.603 16.400) 17.396 5.966 ( 2.583 -1.355 4.374) 5.258 6.374 ( -8.323 -3.980 4.124) 10.106 6.602 ( -0.960 1.378 5.602) 5.848 6.875 ( -7.870 -7.176 -1.975) 10.832 6.924 ( 8.351 -15.611 -8.868) 19.801 7.101 ( -4.404 2.456 -2.363) 5.569 7.362 ( -0.241 9.172 1.373) 9.277 7.962 ( 0.268 5.505 0.524) 5.537 8.050 ( -7.532 8.411 -4.562) 12.177 8.210 ( 4.533 1.833 -0.832) 4.960 8.640 ( -6.666 -0.799 -15.434) 16.831 9.428 ( 7.780 -4.475 7.754) 11.861 9.543 ( 8.159 0.882 6.619) 10.543 9.676 ( 0.415 7.541 1.746) 7.752 10.233 ( -6.640 -2.367 2.292) 7.412 10.378 ( -6.009 0.454 3.803) 7.126 10.684 ( -0.587 1.457 5.914) 6.119 11.053 ( -2.345 -5.175 -7.133) 9.120 11.205 ( -2.549 9.296 -7.432) 12.172 12.131 ( 4.650 -0.943 -6.818) 8.307 14.052 ( 0.084 -0.722 13.113) 13.133 14.630 ( -1.014 -4.372 -10.524) 11.442 ======================= Grid point 259 (125/275) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 1.682 0.000 22.267) 22.331 2.044 ( 5.823 0.000 17.190) 18.149 2.670 ( -4.211 -0.000 -10.192) 11.028 2.871 ( -4.181 -0.000 2.478) 4.860 3.044 ( 18.151 0.000 5.543) 18.978 3.608 ( -4.288 -0.000 -6.877) 8.104 3.688 ( -11.096 -0.000 27.744) 29.881 4.712 ( -3.373 -0.000 2.862) 4.424 4.787 ( 1.178 0.000 -6.976) 7.075 5.035 ( 15.844 0.000 0.186) 15.845 5.056 ( -1.034 -0.000 21.767) 21.792 5.716 ( -13.305 -0.000 5.270) 14.311 6.010 ( -4.757 -0.000 4.840) 6.787 6.104 ( -20.696 -0.000 6.332) 21.643 6.683 ( 2.935 0.000 -8.329) 8.831 7.105 ( -6.882 -0.000 -7.086) 9.879 7.178 ( 8.546 0.000 2.968) 9.047 7.559 ( -7.213 -0.000 3.782) 8.144 7.597 ( 7.852 0.000 -4.607) 9.104 8.103 ( 7.805 0.000 -1.325) 7.917 8.511 ( -0.061 -0.000 -0.137) 0.150 8.690 ( 8.910 0.000 -3.680) 9.640 9.652 ( 1.769 0.000 -0.656) 1.886 9.941 ( -5.111 -0.000 1.039) 5.216 10.043 ( 6.003 0.000 1.471) 6.180 10.054 ( 1.435 0.000 1.268) 1.914 10.225 ( 12.873 0.000 2.942) 13.205 10.487 ( -7.738 -0.000 4.442) 8.922 11.095 ( 2.357 0.000 -13.790) 13.990 11.235 ( 6.774 0.000 1.161) 6.873 12.157 ( 1.990 0.000 -9.292) 9.502 14.161 ( -1.084 -0.000 12.736) 12.782 14.204 ( -9.671 -0.000 0.094) 9.672 ======================= Grid point 260 (126/275) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 6.573 -9.114 17.299) 20.628 2.146 ( 0.012 -4.349 14.513) 15.150 2.584 ( -2.853 0.033 -9.169) 9.602 2.686 ( -12.124 -0.040 -5.409) 13.276 3.333 ( 0.425 1.823 9.793) 9.970 3.485 ( -0.156 5.767 -2.440) 6.264 3.755 ( 11.386 -2.460 21.015) 24.028 4.652 ( -1.457 3.793 7.402) 8.444 4.778 ( -3.567 -3.865 0.485) 5.282 5.078 ( -0.785 2.731 15.120) 15.385 5.290 ( 11.112 2.574 -3.225) 11.854 5.538 ( -1.784 1.166 -1.012) 2.360 5.760 ( -24.158 -1.462 2.667) 24.349 5.990 ( -1.203 -1.506 7.699) 7.937 6.708 ( 4.574 3.049 -6.614) 8.600 6.999 ( -8.357 -5.987 -6.105) 11.956 7.335 ( 7.994 -1.068 4.677) 9.323 7.366 ( -5.286 10.476 2.029) 11.908 7.751 ( -2.144 -14.920 -0.459) 15.081 8.224 ( 7.249 0.716 -0.481) 7.300 8.475 ( -3.356 1.099 1.372) 3.789 8.822 ( 8.832 2.112 -0.736) 9.111 9.687 ( 0.307 -2.694 -0.877) 2.850 9.839 ( -5.657 1.652 -3.133) 6.674 10.033 ( -6.519 -3.158 5.578) 9.143 10.080 ( 0.357 2.009 6.428) 6.744 10.417 ( 4.567 3.156 -3.152) 6.384 10.567 ( 20.469 -3.656 -0.429) 20.797 11.102 ( 2.098 -1.401 -14.182) 14.405 11.301 ( 0.408 -0.311 1.598) 1.678 12.163 ( 4.499 3.223 -12.495) 13.666 14.045 ( -5.811 5.325 7.133) 10.630 14.191 ( -3.316 -3.823 10.562) 11.712 ======================= Grid point 261 (127/275) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 8.899 -12.374 10.479) 18.496 2.236 ( -1.330 -8.844 8.015) 12.009 2.498 ( -8.543 -0.986 1.398) 8.713 2.551 ( -0.744 -1.012 -4.618) 4.786 3.173 ( -7.974 9.899 3.299) 13.132 3.449 ( -2.971 -1.220 -0.800) 3.310 4.035 ( 10.472 1.250 17.953) 20.821 4.640 ( -2.079 2.292 13.610) 13.958 4.770 ( 1.405 -1.524 -1.202) 2.396 5.023 ( -6.360 6.138 13.221) 15.904 5.236 ( -7.545 0.649 1.688) 7.759 5.378 ( -19.934 -1.980 -2.974) 20.252 5.790 ( 24.457 -0.869 -9.487) 26.247 6.038 ( 0.625 -3.398 8.849) 9.499 6.718 ( 4.086 5.454 -4.861) 8.371 6.926 ( -6.559 -5.583 -4.823) 9.872 7.181 ( -9.567 2.715 3.545) 10.558 7.475 ( 4.841 -2.229 6.015) 8.037 7.854 ( -4.003 -13.641 2.859) 14.501 8.303 ( 2.368 0.690 1.961) 3.151 8.418 ( -1.470 0.511 1.936) 2.484 8.905 ( 6.653 5.557 -0.411) 8.678 9.643 ( -7.664 3.419 0.851) 8.435 9.725 ( -6.432 -1.808 -5.485) 8.644 9.979 ( -3.752 -3.074 7.925) 9.292 10.114 ( 3.109 0.288 4.555) 5.522 10.465 ( 5.654 1.913 -6.831) 9.071 10.936 ( 16.595 -3.831 -0.157) 17.032 11.116 ( 6.104 0.888 -15.109) 16.320 11.271 ( -4.677 -1.883 0.166) 5.045 12.154 ( 5.560 7.403 -14.440) 17.153 13.947 ( -2.770 4.788 11.128) 12.427 14.206 ( -3.917 -4.823 10.123) 11.878 ======================= Grid point 262 (128/275) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 2.198 -8.074 6.051) 10.326 2.279 ( -3.897 -0.927 1.562) 4.300 2.478 ( 2.217 -4.922 5.160) 7.467 2.617 ( 2.818 -9.786 3.099) 10.645 2.948 ( -6.571 10.576 4.353) 13.189 3.415 ( -3.016 -3.478 -4.940) 6.752 4.142 ( 1.458 3.190 15.593) 15.983 4.533 ( -12.205 1.888 8.455) 14.967 4.826 ( -15.504 3.667 28.485) 32.637 4.883 ( 4.716 -2.102 -5.088) 7.249 4.970 ( -9.188 5.443 -4.549) 11.608 5.344 ( 2.150 -7.588 -4.096) 8.887 6.116 ( 2.147 -2.697 8.210) 8.904 6.183 ( 24.009 -1.565 -10.043) 26.072 6.701 ( 1.291 2.887 -4.076) 5.159 6.872 ( -3.095 1.027 -0.894) 3.381 7.038 ( -9.242 -4.218 2.562) 10.477 7.560 ( -2.117 -6.292 6.840) 9.532 7.927 ( -2.929 -7.097 6.957) 10.361 8.283 ( -2.438 1.799 4.545) 5.462 8.469 ( 4.320 -3.369 0.630) 5.514 8.917 ( 3.102 6.377 -1.172) 7.187 9.428 ( -12.103 3.524 -3.490) 13.080 9.621 ( -3.884 5.137 3.582) 7.369 10.015 ( -1.433 -6.433 2.039) 6.899 10.178 ( 3.920 1.160 4.096) 5.787 10.494 ( 2.540 2.308 -6.430) 7.289 11.005 ( -4.043 -1.675 -6.953) 8.215 11.155 ( -4.069 -1.312 -7.652) 8.765 11.397 ( 19.117 -0.850 -3.699) 19.490 12.093 ( 4.016 10.864 -14.577) 18.618 13.917 ( -0.080 2.956 13.192) 13.519 14.232 ( -3.514 -6.646 9.005) 11.731 ======================= Grid point 263 (129/275) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -10.667 2.085 3.442) 11.401 2.236 ( -3.631 4.253 10.930) 12.278 2.585 ( 6.257 4.132 2.544) 7.918 2.735 ( 0.508 -4.082 0.563) 4.152 2.923 ( 2.655 -13.176 6.139) 14.776 3.413 ( -0.815 -5.683 -6.346) 8.558 4.106 ( -8.864 1.861 2.841) 9.492 4.272 ( -14.417 5.588 19.475) 24.866 4.639 ( -10.399 -1.710 22.588) 24.926 4.855 ( 2.496 8.231 -1.673) 8.762 4.986 ( 2.136 -3.577 0.095) 4.167 5.493 ( 5.696 -10.126 -2.658) 11.918 6.205 ( 1.707 -5.670 4.092) 7.198 6.444 ( 7.141 0.657 -3.835) 8.132 6.658 ( -4.909 -0.457 -2.942) 5.741 6.856 ( 5.512 -0.335 -1.392) 5.695 6.997 ( -2.385 -2.797 1.146) 3.850 7.601 ( -4.005 -9.313 5.691) 11.625 7.928 ( -3.335 2.271 9.176) 10.024 8.248 ( -0.070 2.858 4.412) 5.257 8.594 ( 4.771 -4.244 -0.144) 6.388 8.856 ( -4.439 2.861 -3.248) 6.200 9.221 ( -4.195 5.799 -2.457) 7.568 9.528 ( -1.727 5.900 6.942) 9.273 10.046 ( -1.469 -2.626 -1.329) 3.290 10.223 ( 1.527 1.217 3.875) 4.339 10.460 ( -1.856 1.755 -3.675) 4.475 10.919 ( -3.944 0.750 -7.884) 8.847 11.074 ( -5.481 -3.084 -9.604) 11.480 11.651 ( 12.036 2.516 -3.222) 12.711 11.992 ( 3.943 9.776 -13.639) 17.237 13.944 ( 1.303 1.353 13.440) 13.571 14.290 ( -2.091 -8.779 6.373) 11.048 ======================= Grid point 264 (130/275) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -15.012 6.695 8.746) 18.619 2.046 ( -8.737 15.147 11.647) 21.010 2.626 ( 2.303 0.823 5.564) 6.078 2.862 ( 3.307 -7.139 0.665) 7.896 3.117 ( 3.581 -11.194 -3.723) 12.328 3.490 ( 1.935 -8.051 -0.460) 8.293 3.840 ( -14.372 4.268 9.181) 17.580 4.181 ( -3.756 1.386 19.444) 19.852 4.628 ( -2.722 -4.690 14.366) 15.355 4.833 ( 5.615 7.897 -0.241) 9.692 5.017 ( -3.042 -2.605 4.654) 6.140 5.721 ( 9.349 -9.594 -0.565) 13.408 6.308 ( -3.445 -10.797 -0.583) 11.348 6.405 ( -5.056 -0.390 7.520) 9.069 6.607 ( -1.731 -2.990 -6.701) 7.539 6.912 ( -1.352 2.041 -1.366) 2.803 7.024 ( -0.579 -6.179 0.058) 6.206 7.699 ( 3.261 -5.254 5.089) 8.009 7.836 ( -1.778 7.153 5.288) 9.072 8.238 ( 2.032 5.298 4.194) 7.056 8.640 ( 0.089 6.712 -3.889) 7.758 8.708 ( -8.868 -3.593 -8.553) 12.834 9.213 ( 8.048 3.101 4.984) 9.962 9.491 ( 1.568 3.860 7.160) 8.284 10.000 ( -2.434 4.826 -2.081) 5.792 10.214 ( -3.569 -1.212 2.300) 4.416 10.406 ( -2.598 -0.003 0.833) 2.728 10.828 ( -2.291 2.762 -8.206) 8.956 11.000 ( -4.829 -3.753 -8.868) 10.772 11.633 ( -1.245 11.409 -5.648) 12.791 12.014 ( 7.885 0.576 -9.423) 12.300 13.991 ( 0.825 0.335 13.263) 13.292 14.382 ( -0.839 -10.291 1.560) 10.442 ======================= Grid point 265 (131/275) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -11.077 6.590 15.384) 20.070 1.776 ( -6.767 17.255 14.648) 23.624 2.647 ( -0.949 2.415 10.405) 10.723 2.916 ( -2.966 -5.022 -8.013) 9.911 3.237 ( -0.597 -5.086 -3.720) 6.330 3.573 ( -2.111 -7.038 2.245) 7.683 3.776 ( 3.615 -1.482 21.825) 22.172 4.182 ( -0.826 -1.340 10.385) 10.504 4.703 ( 1.942 -4.434 4.256) 6.446 4.864 ( 5.972 4.997 3.786) 8.658 4.985 ( -6.024 -2.364 10.454) 12.294 5.921 ( 4.028 -2.860 2.198) 5.407 6.235 ( -11.245 -8.600 5.778) 15.291 6.540 ( 4.444 -10.197 3.830) 11.764 6.611 ( 0.578 -7.627 -9.194) 11.960 6.809 ( -8.160 0.076 0.844) 8.203 7.048 ( -3.434 -4.281 0.125) 5.490 7.630 ( -2.889 12.684 5.874) 14.274 7.947 ( 9.606 -3.490 -2.723) 10.577 8.195 ( -1.223 5.675 4.047) 7.076 8.481 ( -0.812 14.463 -8.989) 17.048 8.612 ( -3.558 0.063 -10.138) 10.744 9.375 ( 10.054 0.000 9.899) 14.109 9.545 ( 6.430 0.480 2.713) 6.995 9.878 ( -2.287 8.526 0.774) 8.861 10.161 ( -6.644 -3.582 1.849) 7.771 10.374 ( -2.936 -0.017 4.338) 5.238 10.744 ( -1.400 3.505 -5.670) 6.812 10.961 ( -2.223 -4.075 -6.578) 8.051 11.439 ( -3.781 12.061 -6.816) 14.360 12.099 ( 3.974 -1.799 -7.204) 8.422 14.034 ( -0.024 -0.563 13.127) 13.139 14.468 ( -2.391 -10.015 -3.954) 11.030 ======================= Grid point 266 (132/275) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 1.723 7.084 20.130) 21.409 1.580 ( 2.124 11.634 18.925) 22.316 2.614 ( -1.995 4.607 18.534) 19.201 2.864 ( -4.273 -1.848 -10.646) 11.620 3.196 ( -4.761 -0.830 -5.625) 7.416 3.629 ( -3.044 -9.342 -1.835) 9.995 3.901 ( -5.424 -2.783 30.271) 30.879 4.303 ( 14.881 -1.036 -1.487) 14.991 4.772 ( 1.078 -3.194 -7.918) 8.605 4.921 ( 1.580 0.355 12.776) 12.879 4.962 ( -3.041 -0.721 15.758) 16.065 5.923 ( -5.983 -3.036 5.863) 8.910 6.190 ( -8.644 -6.955 2.425) 11.357 6.539 ( -7.830 -1.718 4.871) 9.380 6.698 ( -6.283 -3.053 -0.759) 7.026 6.905 ( 13.207 -15.886 -6.756) 21.735 7.036 ( -0.398 -1.634 2.121) 2.707 7.468 ( -1.168 13.001 -1.068) 13.097 7.956 ( -6.271 4.431 -1.133) 7.762 8.161 ( 0.009 12.073 -3.055) 12.453 8.330 ( 8.384 6.865 -3.397) 11.356 8.571 ( 1.765 0.494 -9.954) 10.121 9.556 ( 8.572 -0.142 5.405) 10.135 9.684 ( 9.678 -1.061 -2.282) 10.000 9.800 ( 2.966 6.369 6.439) 9.530 10.097 ( -6.848 -3.502 3.225) 8.340 10.317 ( -4.667 2.224 5.354) 7.443 10.681 ( -3.436 0.219 -0.081) 3.444 10.989 ( 3.021 -2.848 -3.425) 5.382 11.247 ( -2.311 9.715 -8.867) 13.355 12.139 ( 0.985 -2.238 -6.393) 6.845 14.077 ( -0.287 -1.343 12.894) 12.966 14.473 ( -6.769 -6.991 -6.717) 11.824 ======================= Grid point 269 (133/275) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 10.160 0.000 14.888) 18.025 2.140 ( -2.084 -0.000 10.587) 10.790 2.493 ( -9.339 -0.000 -1.207) 9.417 2.538 ( -0.405 -0.000 -5.465) 5.480 3.285 ( -7.812 -0.000 5.517) 9.564 3.451 ( -2.918 -0.000 -3.618) 4.648 4.047 ( 11.695 0.000 18.445) 21.840 4.657 ( -3.559 -0.000 11.769) 12.295 4.745 ( 1.787 0.000 -3.148) 3.620 5.090 ( -7.909 -0.000 17.534) 19.235 5.259 ( -8.576 -0.000 -0.515) 8.592 5.362 ( -19.999 -0.000 -3.743) 20.347 5.755 ( 21.065 0.000 -6.549) 22.059 6.018 ( 4.530 0.000 6.585) 7.993 6.802 ( 6.823 0.000 -4.049) 7.934 6.831 ( -7.116 -0.000 -4.383) 8.358 7.250 ( -12.858 -0.000 5.359) 13.930 7.529 ( 8.419 0.000 2.767) 8.862 7.576 ( -6.472 -0.000 2.759) 7.035 8.325 ( 4.463 0.000 1.002) 4.574 8.424 ( -3.505 -0.000 1.790) 3.935 8.978 ( 7.915 0.000 0.070) 7.916 9.669 ( -0.600 -0.000 -0.871) 1.058 9.699 ( -11.107 -0.000 -0.441) 11.116 9.945 ( -4.854 -0.000 4.508) 6.625 10.122 ( 2.325 0.000 6.976) 7.353 10.492 ( 5.503 0.000 -6.733) 8.696 10.886 ( 15.786 0.000 -0.285) 15.788 11.128 ( 9.909 0.000 -15.155) 18.107 11.250 ( -6.377 -0.000 0.482) 6.396 12.237 ( 6.588 0.000 -15.205) 16.571 14.025 ( -3.138 -0.000 8.463) 9.026 14.127 ( -5.553 -0.000 12.748) 13.905 ======================= Grid point 270 (134/275) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 10.316 -5.332 9.532) 15.023 2.147 ( -1.981 -5.510 5.537) 8.059 2.400 ( -3.750 -0.779 6.482) 7.529 2.549 ( 2.205 -0.736 0.198) 2.333 3.147 ( -6.055 5.013 -1.584) 8.019 3.400 ( -1.825 1.630 -1.069) 2.670 4.180 ( 0.680 0.147 16.476) 16.490 4.568 ( -13.104 1.809 4.720) 14.046 4.773 ( -1.421 -4.630 -3.525) 5.991 4.854 ( -18.292 -0.195 20.607) 27.555 5.126 ( -3.150 5.685 -4.091) 7.679 5.252 ( 1.691 -2.045 -2.408) 3.583 5.979 ( 4.846 -4.342 0.451) 6.522 6.241 ( 21.446 2.273 0.329) 21.569 6.718 ( -6.212 -1.099 -3.774) 7.351 6.917 ( 8.588 2.506 -1.471) 9.066 7.019 ( -13.902 0.820 3.497) 14.359 7.466 ( -6.837 -1.301 6.846) 9.762 7.706 ( 1.911 -9.239 7.429) 12.008 8.357 ( 1.074 3.645 2.365) 4.475 8.421 ( 2.414 -2.119 1.113) 3.400 9.040 ( 2.027 3.948 -1.211) 4.600 9.514 ( -9.115 3.340 1.576) 9.834 9.653 ( -2.840 -1.156 1.149) 3.275 9.900 ( -3.393 -2.948 3.215) 5.526 10.199 ( 5.141 0.479 4.468) 6.828 10.543 ( 3.619 1.653 -6.786) 7.867 10.965 ( -1.270 -1.502 -8.431) 8.658 11.125 ( -8.106 -0.866 -3.731) 8.965 11.389 ( 21.122 -0.072 -6.784) 22.185 12.267 ( 5.140 4.586 -16.723) 18.087 13.991 ( -1.706 3.690 12.301) 12.955 14.099 ( -5.646 -5.261 11.607) 13.938 ======================= Grid point 271 (135/275) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -2.309 -0.957 4.610) 5.244 2.281 ( 3.501 -2.077 6.269) 7.475 2.450 ( 3.172 -10.652 8.636) 14.075 2.622 ( 3.046 -2.982 4.815) 6.430 2.989 ( -2.846 9.610 -2.509) 10.332 3.354 ( -1.191 1.008 -0.998) 1.852 4.151 ( -11.960 2.148 4.888) 13.098 4.314 ( -10.947 -2.899 9.552) 14.815 4.629 ( -11.679 1.382 11.453) 16.416 4.867 ( -0.081 -5.985 9.992) 11.648 5.036 ( 2.256 7.635 -5.738) 9.814 5.334 ( 4.606 -4.503 -1.802) 6.689 6.076 ( 1.409 -5.037 1.166) 5.359 6.491 ( 9.029 2.657 1.394) 9.514 6.606 ( -11.074 -3.756 -2.555) 11.970 6.817 ( -6.681 -1.986 1.099) 7.056 7.068 ( 11.385 6.442 -0.148) 13.082 7.426 ( -3.461 -5.972 7.318) 10.060 7.828 ( -2.441 -9.007 12.607) 15.685 8.343 ( 2.581 5.402 2.429) 6.461 8.523 ( 6.775 -2.641 -0.458) 7.286 8.953 ( -5.936 4.821 -2.308) 7.988 9.374 ( -0.954 7.516 1.336) 7.694 9.603 ( -4.061 0.884 4.571) 6.177 9.918 ( -2.151 -6.371 0.987) 6.797 10.283 ( 5.419 2.297 2.772) 6.506 10.518 ( -1.813 3.116 -4.316) 5.624 10.911 ( -3.328 -1.598 -10.273) 10.916 11.007 ( -6.440 -2.221 -8.475) 10.873 11.671 ( 14.975 0.189 -4.437) 15.620 12.204 ( 1.689 8.433 -16.861) 18.928 13.981 ( -0.115 1.580 12.961) 13.057 14.114 ( -4.474 -6.738 10.814) 13.504 ======================= Grid point 272 (136/275) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -8.940 5.799 7.096) 12.802 2.282 ( -2.177 6.032 12.177) 13.762 2.636 ( -0.612 -5.004 0.056) 5.041 2.737 ( 5.410 -8.218 1.563) 9.963 2.899 ( 2.300 1.310 -0.252) 2.659 3.366 ( 1.748 -2.828 2.809) 4.353 3.898 ( -12.133 1.093 -1.114) 12.233 4.278 ( -3.356 4.967 18.798) 19.731 4.517 ( -6.167 -4.808 10.232) 12.878 4.943 ( -2.091 -3.676 10.178) 11.022 4.996 ( 4.286 6.827 -4.284) 9.129 5.503 ( 8.995 -9.088 -2.328) 12.997 6.139 ( -1.524 -5.561 -0.562) 5.794 6.388 ( -14.131 -2.603 4.877) 15.174 6.550 ( -1.967 -1.374 -1.868) 3.041 6.799 ( -5.873 -7.384 -1.980) 9.640 7.100 ( 3.098 8.276 4.461) 9.898 7.570 ( 10.357 -4.834 3.185) 11.865 7.888 ( -3.536 -4.675 13.506) 14.723 8.336 ( 2.953 5.121 1.963) 6.228 8.669 ( 7.778 -0.482 -2.151) 8.085 8.766 ( -7.555 5.815 -2.869) 9.956 9.343 ( 6.993 7.924 1.890) 10.736 9.553 ( -1.915 1.256 5.861) 6.293 9.943 ( -3.863 -6.216 -0.298) 7.324 10.302 ( -0.083 6.051 0.318) 6.060 10.432 ( -1.997 2.083 -0.340) 2.906 10.852 ( -2.392 -1.652 -10.821) 11.204 10.917 ( -4.821 -2.469 -10.172) 11.525 11.803 ( 3.903 3.925 -3.903) 6.772 12.088 ( 1.656 6.421 -15.046) 16.443 14.012 ( 0.717 1.016 12.250) 12.313 14.162 ( -3.404 -9.281 8.340) 12.934 ======================= Grid point 273 (137/275) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -9.197 9.903 13.024) 18.769 2.143 ( -4.433 14.936 11.606) 19.428 2.651 ( 0.303 -2.141 0.625) 2.251 2.847 ( 2.774 -1.038 -6.290) 6.952 3.018 ( 1.192 -13.227 -5.028) 14.201 3.450 ( -0.847 -4.729 8.134) 9.447 3.795 ( 0.059 2.498 14.274) 14.491 4.203 ( -2.436 4.507 13.878) 14.793 4.582 ( 1.097 -7.663 7.094) 10.500 4.917 ( -7.024 -2.616 8.095) 11.033 5.001 ( 5.048 6.877 0.300) 8.536 5.795 ( 13.179 -9.899 -1.322) 16.535 6.064 ( -14.835 -6.024 2.853) 16.264 6.337 ( 0.675 -7.583 0.622) 7.638 6.517 ( -4.810 -3.679 0.216) 6.059 6.723 ( -11.290 -6.189 -0.763) 12.897 7.077 ( 2.953 6.550 3.406) 7.951 7.764 ( 3.933 -1.132 4.337) 5.963 7.916 ( 4.209 0.440 6.624) 7.861 8.330 ( 0.675 5.269 2.222) 5.758 8.565 ( -4.838 3.993 -4.549) 7.749 8.772 ( 6.587 6.818 -4.636) 10.553 9.433 ( 10.577 4.936 5.818) 13.041 9.564 ( 3.618 0.663 2.804) 4.625 9.916 ( -6.415 -4.543 0.643) 7.887 10.171 ( -6.741 4.517 -0.011) 8.115 10.411 ( 0.958 3.533 1.763) 4.062 10.809 ( 0.024 2.176 -11.929) 12.126 10.860 ( -3.042 -5.440 -7.219) 9.537 11.687 ( -4.159 10.454 -7.261) 13.391 12.070 ( 2.249 -0.569 -9.417) 9.699 14.038 ( -0.379 0.828 12.224) 12.258 14.238 ( -3.222 -10.751 4.110) 11.953 ======================= Grid point 274 (138/275) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 6.376 8.180 17.651) 20.473 1.936 ( -1.917 18.225 11.732) 21.759 2.678 ( 0.285 -0.029 3.207) 3.220 2.852 ( 0.908 1.449 -7.605) 7.795 3.104 ( -3.435 -9.329 -9.211) 13.553 3.460 ( -5.202 -4.815 6.110) 9.358 3.847 ( -4.402 -0.227 33.734) 34.021 4.270 ( 11.123 -1.614 2.313) 11.475 4.704 ( 3.315 -4.449 -2.152) 5.950 4.856 ( -8.021 -4.661 18.914) 21.067 5.007 ( 3.746 4.710 -3.022) 6.734 5.875 ( -11.490 -2.806 6.632) 13.560 6.038 ( 0.238 -6.407 -0.628) 6.442 6.462 ( -6.134 -5.317 6.901) 10.654 6.566 ( 6.234 -15.224 -2.529) 16.644 6.620 ( -2.526 -3.837 -3.256) 5.631 7.068 ( 2.749 5.019 2.037) 6.075 7.724 ( -1.585 8.597 3.578) 9.446 8.034 ( 3.199 0.392 -3.609) 4.838 8.220 ( -2.559 6.527 4.386) 8.269 8.542 ( 2.811 -2.003 -5.595) 6.574 8.702 ( 1.882 15.929 -5.040) 16.813 9.572 ( 8.745 1.443 6.091) 10.754 9.674 ( 9.349 0.012 -2.898) 9.788 9.878 ( -2.254 -1.828 5.543) 6.257 10.033 ( -7.174 -0.047 2.890) 7.734 10.379 ( -0.544 4.199 2.705) 5.025 10.716 ( -3.838 2.589 -12.159) 13.011 10.919 ( 5.123 -4.039 -3.503) 7.405 11.474 ( -4.483 10.978 -8.463) 14.568 12.082 ( -0.283 -2.812 -6.968) 7.520 14.053 ( -1.716 -0.690 11.771) 11.915 14.291 ( -4.772 -9.289 1.450) 10.543 ======================= Grid point 275 (139/275) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 1.260 15.896 14.208) 21.358 1.923 ( 18.222 7.633 16.695) 25.866 2.686 ( 0.801 0.761 3.889) 4.043 2.819 ( 1.534 4.138 -0.028) 4.413 3.070 ( -4.920 -3.383 -11.420) 12.887 3.446 ( -7.104 -8.760 3.600) 11.839 3.824 ( -9.260 -0.766 29.788) 31.203 4.518 ( 9.507 -5.152 2.406) 11.078 4.754 ( 5.340 -1.276 -3.786) 6.669 4.914 ( -0.756 -6.012 19.859) 20.762 4.986 ( -0.592 3.252 -3.146) 4.563 5.756 ( -11.204 -5.326 6.825) 14.159 6.029 ( -4.399 -1.547 2.158) 5.138 6.371 ( -12.446 -2.142 6.748) 14.319 6.577 ( -2.150 -5.476 -2.120) 6.253 6.967 ( 14.590 -12.651 -5.331) 20.034 7.094 ( 5.657 1.294 3.887) 6.984 7.574 ( -3.176 14.202 -4.597) 15.261 7.915 ( -5.162 5.125 0.050) 7.274 8.227 ( 1.959 3.220 -0.910) 3.877 8.527 ( -0.015 10.903 0.323) 10.908 8.613 ( 5.514 1.032 -5.996) 8.212 9.703 ( 7.620 2.213 -1.730) 8.121 9.795 ( 3.158 -3.712 -1.926) 5.240 9.906 ( 2.460 0.841 8.273) 8.671 10.017 ( 4.086 -2.235 3.954) 6.109 10.316 ( -2.143 5.756 3.936) 7.295 10.579 ( -6.872 0.450 -8.328) 10.806 11.066 ( 9.175 -2.030 -1.655) 9.541 11.285 ( -2.239 8.929 -9.766) 13.421 12.087 ( -0.958 -3.933 -6.719) 7.844 14.062 ( -3.778 -3.414 10.460) 11.633 14.289 ( -5.166 -4.710 2.258) 7.346 ======================= Grid point 279 (140/275) ======================= q-point: ( 0.33 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -1.034 -0.000 5.549) 5.645 2.162 ( 11.414 0.000 7.110) 13.448 2.383 ( -1.046 -0.000 8.383) 8.448 2.591 ( 1.601 0.000 6.502) 6.697 3.084 ( -2.603 -0.000 -9.848) 10.186 3.408 ( -0.575 -0.000 6.032) 6.059 4.183 ( -4.426 -0.000 15.770) 16.379 4.242 ( -22.845 -0.000 -4.134) 23.216 4.666 ( -6.104 -0.000 -2.526) 6.606 4.775 ( -1.743 -0.000 18.944) 19.024 5.146 ( 1.480 0.000 -5.792) 5.978 5.280 ( 3.710 0.000 -0.332) 3.725 6.021 ( 3.175 0.000 0.803) 3.275 6.524 ( 9.247 0.000 2.498) 9.579 6.553 ( -13.988 -0.000 -0.875) 14.015 6.797 ( -10.490 -0.000 -0.185) 10.491 7.154 ( 16.041 0.000 -0.103) 16.042 7.369 ( -4.090 -0.000 10.935) 11.675 7.697 ( -1.616 -0.000 10.661) 10.783 8.428 ( 1.769 0.000 3.350) 3.789 8.473 ( 8.176 0.000 -1.172) 8.260 9.014 ( -6.094 -0.000 -2.520) 6.594 9.478 ( -0.126 -0.000 5.492) 5.493 9.591 ( -4.522 -0.000 2.666) 5.249 9.842 ( -2.198 -0.000 0.529) 2.261 10.306 ( 6.468 0.000 2.842) 7.065 10.559 ( -1.453 -0.000 -4.482) 4.712 10.880 ( -4.947 -0.000 -10.394) 11.512 10.989 ( -5.153 -0.000 -8.581) 10.010 11.672 ( 15.345 0.000 -4.987) 16.135 12.301 ( 1.704 0.000 -18.757) 18.835 13.991 ( -6.041 -0.000 12.716) 14.078 14.044 ( -0.233 -0.000 13.085) 13.087 ======================= Grid point 281 (141/275) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -0.034 4.140 6.178) 7.437 2.353 ( 3.826 0.429 6.904) 7.905 2.424 ( 3.150 -7.615 7.262) 10.984 2.603 ( -5.310 -3.299 8.542) 10.585 3.022 ( 1.074 3.106 -13.421) 13.818 3.401 ( 0.655 4.496 13.424) 14.172 3.931 ( -10.411 2.847 -5.819) 12.262 4.201 ( -3.781 -8.657 13.989) 16.880 4.537 ( -6.883 3.564 1.307) 7.861 4.863 ( 3.074 -2.940 13.543) 14.195 5.132 ( 2.847 5.173 -5.127) 7.820 5.370 ( 5.463 -3.653 -0.425) 6.585 6.069 ( 0.983 -1.072 -0.683) 1.607 6.287 ( -19.688 -4.813 1.425) 20.318 6.543 ( -5.921 0.078 4.731) 7.579 6.707 ( -3.072 -1.508 -3.643) 4.998 7.275 ( 3.034 6.687 11.234) 13.421 7.506 ( 14.079 -1.187 2.440) 14.338 7.720 ( -3.977 -7.712 13.087) 15.702 8.441 ( 1.765 3.467 2.115) 4.428 8.648 ( 11.984 -1.130 -2.166) 12.230 8.886 ( -5.685 3.946 -1.171) 7.019 9.492 ( 2.749 4.696 3.832) 6.656 9.543 ( -2.647 -1.375 4.980) 5.805 9.833 ( -1.638 -3.178 -0.421) 3.600 10.397 ( 2.608 2.328 0.246) 3.504 10.480 ( -2.801 1.901 -1.134) 3.570 10.768 ( -7.154 -3.521 -10.156) 12.912 10.914 ( -0.795 0.473 -12.900) 12.933 11.839 ( 6.975 0.437 -3.466) 7.801 12.219 ( -2.122 4.031 -19.262) 19.793 13.965 ( -3.632 -3.763 11.200) 12.361 14.077 ( -0.518 0.213 13.689) 13.700 ======================= Grid point 282 (142/275) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -4.556 11.433 9.176) 15.352 2.348 ( -1.442 5.055 12.001) 13.102 2.574 ( -1.132 -4.495 2.956) 5.498 2.632 ( 0.324 -15.396 -0.499) 15.407 2.983 ( 3.836 4.485 -13.494) 14.728 3.422 ( 0.588 3.726 16.656) 17.078 3.833 ( 2.719 1.778 0.635) 3.310 4.304 ( -1.902 -5.123 17.550) 18.381 4.403 ( -4.724 -1.110 -0.111) 4.854 4.917 ( -1.846 2.991 8.519) 9.216 5.131 ( 4.570 5.005 0.136) 6.779 5.563 ( 10.892 -10.081 -2.460) 15.044 5.969 ( -14.092 -3.107 -0.350) 14.435 6.179 ( -3.292 -7.662 -0.258) 8.344 6.427 ( -11.102 -3.323 6.689) 13.380 6.668 ( -1.676 0.216 -4.251) 4.575 7.258 ( 2.777 9.894 9.866) 14.246 7.716 ( 7.755 -1.909 2.243) 8.295 7.815 ( -0.149 -9.650 14.228) 17.193 8.428 ( 1.874 4.402 -1.277) 4.952 8.731 ( -3.149 8.909 1.572) 9.579 8.847 ( 10.551 1.182 -3.189) 11.086 9.498 ( -0.232 -2.050 3.740) 4.272 9.585 ( 7.042 3.317 3.890) 8.701 9.823 ( -4.069 -2.627 0.227) 4.849 10.267 ( -8.605 4.065 -1.458) 9.628 10.500 ( 3.459 4.093 -0.335) 5.370 10.710 ( -2.326 -7.120 -7.157) 10.360 10.862 ( 0.027 1.707 -15.199) 15.294 11.852 ( -1.512 4.551 -4.188) 6.366 12.087 ( -2.148 2.148 -16.219) 16.501 14.000 ( -2.917 -6.250 8.100) 10.638 14.099 ( -1.034 -0.064 13.825) 13.864 ======================= Grid point 283 (143/275) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 4.730 11.148 13.041) 17.797 2.263 ( -2.032 10.968 10.998) 15.665 2.637 ( 3.123 -3.101 -1.707) 4.720 2.772 ( -2.083 -13.440 -4.498) 14.325 2.975 ( 4.352 2.700 -12.765) 13.754 3.403 ( -4.422 0.430 11.875) 12.679 3.917 ( 2.369 4.596 22.368) 22.958 4.267 ( 0.644 1.766 9.875) 10.053 4.520 ( 2.421 -12.511 2.617) 13.009 4.830 ( -5.402 3.135 5.508) 8.328 5.130 ( 2.109 6.080 0.696) 6.473 5.744 ( -11.236 -9.715 -1.162) 14.899 5.929 ( 9.455 -4.204 0.697) 10.371 6.247 ( 0.490 -13.286 -1.079) 13.338 6.341 ( -7.048 -4.953 8.594) 12.168 6.620 ( -0.508 2.730 -4.124) 4.972 7.223 ( 3.194 9.170 5.988) 11.408 7.790 ( 0.033 -0.953 3.047) 3.193 7.987 ( 4.784 -5.875 9.318) 12.009 8.389 ( -0.578 5.826 -2.303) 6.292 8.586 ( -1.431 8.791 1.425) 9.020 8.937 ( 5.027 6.398 -2.966) 8.660 9.565 ( 3.176 -4.637 0.685) 5.662 9.662 ( 0.133 -0.229 5.529) 5.535 9.813 ( 4.171 -1.088 1.653) 4.617 10.085 ( -8.022 4.001 0.624) 8.986 10.478 ( 0.734 3.793 -1.406) 4.111 10.758 ( -2.664 -0.284 -10.083) 10.433 10.831 ( 7.344 -2.316 -10.661) 13.152 11.692 ( -5.189 9.093 -8.635) 13.571 12.028 ( -2.038 -2.247 -9.531) 10.002 14.020 ( -4.677 -4.337 6.912) 9.405 14.135 ( -0.980 -3.151 12.339) 12.773 ======================= Grid point 284 (144/275) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 11.841 8.865 13.762) 20.204 2.161 ( 6.042 12.937 9.724) 17.275 2.695 ( 2.840 0.583 -4.509) 5.361 2.824 ( -4.767 -9.291 -5.346) 11.731 2.998 ( 6.333 2.180 -9.345) 11.498 3.344 ( -7.396 -1.444 8.617) 11.448 3.868 ( -7.073 6.356 32.120) 33.498 4.395 ( 3.129 -5.963 12.360) 14.076 4.680 ( 1.616 -8.961 0.611) 9.126 4.788 ( 2.974 -2.088 2.663) 4.506 5.081 ( 0.231 5.574 -2.546) 6.132 5.645 ( -9.256 -5.141 1.388) 10.678 6.007 ( -2.476 -2.387 4.350) 5.546 6.296 ( -9.762 -4.397 9.437) 14.272 6.469 ( 3.121 -5.442 -2.449) 6.735 6.690 ( 13.980 -9.450 -4.078) 17.360 7.205 ( 4.482 7.835 3.082) 9.538 7.783 ( 0.214 3.733 1.823) 4.160 8.031 ( -5.231 4.316 -4.272) 8.015 8.298 ( 1.103 5.771 6.753) 8.951 8.555 ( 1.782 -0.337 -0.584) 1.905 8.843 ( -2.260 12.019 -1.395) 12.309 9.655 ( -4.276 -9.723 2.049) 10.818 9.713 ( 8.279 -0.754 0.018) 8.314 9.943 ( -4.221 -1.764 6.173) 7.683 9.978 ( 10.423 3.302 2.352) 11.183 10.447 ( 1.478 5.701 -0.118) 5.890 10.623 ( -5.789 2.860 -16.402) 17.627 11.005 ( 10.744 -3.420 -4.671) 12.204 11.486 ( -4.433 9.488 -9.679) 14.260 12.000 ( -2.843 -4.066 -7.134) 8.690 13.988 ( -6.653 -3.727 7.617) 10.778 14.194 ( -0.356 -3.548 10.438) 11.030 ======================= Grid point 285 (145/275) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 3.015 15.162 10.339) 18.598 2.298 ( 11.536 7.788 9.238) 16.706 2.684 ( -0.414 1.788 -8.272) 8.473 2.787 ( -8.276 -5.561 -3.885) 10.701 3.137 ( 17.835 3.527 2.370) 18.335 3.256 ( -9.074 -4.410 6.493) 11.998 3.793 ( -5.583 3.381 26.415) 27.209 4.471 ( -4.414 -7.413 11.967) 14.753 4.807 ( -0.421 -8.733 10.282) 13.497 4.935 ( 3.172 -3.726 1.089) 5.013 5.048 ( 10.402 4.676 -8.923) 14.480 5.561 ( -7.164 -2.706 0.846) 7.704 5.994 ( -4.199 0.171 8.745) 9.702 6.144 ( -14.000 -1.515 5.642) 15.170 6.524 ( 2.683 -2.888 -4.191) 5.754 7.042 ( 10.404 -9.848 -2.449) 14.533 7.234 ( 6.796 3.378 3.763) 8.471 7.633 ( -8.132 16.016 -6.963) 19.265 7.888 ( -1.134 -0.741 2.060) 2.466 8.319 ( 3.755 4.228 2.732) 6.280 8.563 ( -3.242 3.790 4.026) 6.410 8.703 ( 1.419 4.753 -2.452) 5.533 9.680 ( -5.405 -8.235 1.755) 10.005 9.854 ( 8.921 1.464 -5.407) 10.534 9.929 ( -0.492 -1.944 10.406) 10.597 10.172 ( 11.017 -1.537 0.558) 11.137 10.344 ( -7.547 6.460 0.322) 9.939 10.512 ( 4.924 3.510 -13.122) 14.449 11.185 ( 7.874 -1.791 -2.713) 8.518 11.312 ( -1.682 7.387 -9.701) 12.309 11.992 ( -1.750 -5.948 -7.985) 10.110 13.943 ( -6.848 -4.567 8.714) 11.987 14.246 ( -0.021 -1.163 9.535) 9.606 ======================= Grid point 290 (146/275) ======================= q-point: ( 0.44 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 3.470 0.000 6.110) 7.027 2.393 ( -7.847 -0.000 3.120) 8.445 2.408 ( -0.976 -0.000 9.459) 9.510 2.508 ( 1.568 0.000 8.882) 9.019 3.021 ( 2.310 0.000 -17.728) 17.878 3.513 ( 2.446 0.000 23.981) 24.105 3.899 ( 4.432 0.000 -8.763) 9.820 4.109 ( -3.318 -0.000 11.928) 12.381 4.450 ( -7.204 -0.000 1.648) 7.391 4.977 ( 5.919 0.000 12.240) 13.596 5.202 ( 4.007 0.000 -4.858) 6.298 5.427 ( 4.364 0.000 0.036) 4.365 5.942 ( -16.429 -0.000 1.048) 16.462 6.071 ( -1.451 -0.000 -1.755) 2.277 6.397 ( -11.319 -0.000 7.224) 13.428 6.676 ( 0.593 0.000 -5.155) 5.189 7.432 ( 5.843 0.000 16.315) 17.329 7.634 ( -4.010 -0.000 12.396) 13.028 7.696 ( 8.074 0.000 2.243) 8.380 8.483 ( 1.443 0.000 -1.507) 2.087 8.838 ( 11.689 0.000 -1.432) 11.776 8.862 ( -0.771 -0.000 1.755) 1.917 9.445 ( -4.554 -0.000 1.832) 4.909 9.634 ( 5.174 0.000 6.429) 8.253 9.801 ( -0.719 -0.000 -0.301) 0.780 10.322 ( -7.940 -0.000 -1.650) 8.109 10.574 ( 8.649 0.000 0.380) 8.657 10.589 ( -8.125 -0.000 -9.368) 12.401 10.882 ( 0.631 0.000 -15.976) 15.988 11.894 ( 0.741 0.000 -1.901) 2.040 12.122 ( -5.146 -0.000 -20.516) 21.151 13.919 ( -3.170 -0.000 10.880) 11.332 14.109 ( -0.754 -0.000 13.534) 13.555 ======================= Grid point 292 (147/275) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 2.500 12.995 7.491) 15.206 2.400 ( -1.449 2.380 11.171) 11.514 2.429 ( -0.076 -14.129 0.192) 14.130 2.612 ( 5.587 -1.665 4.902) 7.617 3.003 ( 1.364 -0.546 -17.266) 17.329 3.534 ( -2.033 8.723 18.881) 20.898 3.990 ( 10.261 3.556 6.008) 12.411 4.206 ( 0.373 -12.950 8.836) 15.682 4.328 ( -6.597 0.779 2.119) 6.972 4.980 ( -4.282 8.522 7.594) 12.191 5.238 ( 3.126 3.609 -0.014) 4.775 5.499 ( -4.336 -10.978 -1.081) 11.853 5.870 ( 8.505 -0.908 -1.264) 8.646 6.028 ( -5.883 -6.371 -0.995) 8.729 6.282 ( -6.184 -1.055 8.159) 10.292 6.676 ( 1.847 1.614 -5.304) 5.844 7.456 ( 3.079 12.375 11.808) 17.380 7.723 ( 0.449 -8.308 7.466) 11.179 7.810 ( 4.042 -5.338 10.141) 12.152 8.479 ( 0.679 2.583 -5.161) 5.811 8.818 ( -0.081 9.747 4.462) 10.720 8.989 ( 5.661 -1.127 1.318) 5.920 9.419 ( -2.321 -5.699 -3.690) 7.175 9.690 ( -0.695 1.708 7.470) 7.695 9.796 ( 0.816 -1.068 2.121) 2.511 10.193 ( -4.073 4.918 -0.719) 6.426 10.485 ( -2.383 -2.669 -7.510) 8.319 10.719 ( 6.206 -0.773 0.623) 6.285 10.843 ( 2.994 1.032 -20.039) 20.287 11.842 ( -4.004 4.443 -3.801) 7.087 11.986 ( -4.590 -1.576 -17.124) 17.798 13.913 ( -3.862 -3.384 9.498) 10.797 14.127 ( -1.071 0.466 13.650) 13.700 ======================= Grid point 293 (148/275) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 9.988 7.820 9.846) 16.058 2.367 ( 0.472 5.762 8.751) 10.488 2.567 ( -2.519 -12.315 -1.463) 12.655 2.730 ( 8.479 2.989 -1.362) 9.093 3.013 ( 4.411 -3.314 -11.263) 12.542 3.422 ( -3.465 9.568 10.151) 14.373 4.058 ( -2.520 9.207 21.325) 23.364 4.273 ( -2.172 -5.910 21.608) 22.506 4.417 ( 3.115 -13.047 -6.713) 15.000 4.825 ( -2.586 4.487 -0.740) 5.231 5.210 ( 0.197 6.067 0.534) 6.093 5.516 ( -4.646 -7.420 -0.454) 8.767 5.925 ( -3.819 -3.851 1.491) 5.625 6.225 ( -4.602 -2.149 8.348) 9.772 6.256 ( 15.468 -10.721 -1.859) 18.911 6.671 ( 3.363 3.324 -4.366) 6.436 7.409 ( 3.960 11.212 7.027) 13.812 7.780 ( 0.356 -2.245 2.008) 3.033 7.994 ( 1.983 -7.891 10.894) 13.597 8.415 ( -1.930 4.555 -4.585) 6.745 8.689 ( -1.460 11.907 5.113) 13.040 9.026 ( -0.746 4.185 1.750) 4.597 9.428 ( -6.463 -9.902 -1.761) 11.955 9.695 ( 4.190 -0.367 3.715) 5.612 9.854 ( -1.071 -4.899 5.730) 7.615 10.116 ( 4.095 7.461 0.420) 8.521 10.508 ( 3.774 -0.799 -5.929) 7.073 10.675 ( -5.675 1.823 -13.159) 14.446 10.950 ( 11.962 -1.084 -9.259) 15.165 11.673 ( -5.252 7.800 -9.320) 13.240 11.916 ( -4.211 -3.911 -9.650) 11.232 13.903 ( -5.472 -3.733 8.556) 10.820 14.154 ( 0.042 -0.512 13.674) 13.684 ======================= Grid point 294 (149/275) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 1.952 8.172 11.012) 13.851 2.412 ( 8.766 3.002 3.601) 9.941 2.583 ( -8.156 -8.817 -2.464) 12.261 2.775 ( 3.752 3.242 -8.105) 9.501 3.194 ( 11.150 -1.691 1.805) 11.421 3.294 ( 1.331 9.797 4.801) 10.991 3.936 ( -5.663 9.526 26.148) 28.400 4.328 ( -6.265 -5.271 19.265) 20.932 4.559 ( -0.388 -13.514 -0.009) 13.519 4.871 ( 6.215 -2.221 -1.816) 6.846 5.155 ( 3.594 5.288 -3.626) 7.350 5.507 ( -3.671 -3.365 0.002) 4.980 5.944 ( -0.364 -4.107 3.836) 5.631 6.106 ( -13.194 -1.162 6.771) 14.876 6.541 ( 7.727 1.734 -3.167) 8.529 6.800 ( 13.026 -9.432 -1.214) 16.128 7.380 ( 4.112 9.185 3.286) 10.586 7.823 ( 2.001 -1.312 3.277) 4.058 7.949 ( -10.460 7.572 -4.585) 13.703 8.370 ( 0.612 0.429 7.357) 7.395 8.602 ( 0.708 4.601 2.487) 5.278 8.900 ( -4.379 10.055 2.525) 11.254 9.444 ( -6.886 -12.883 3.587) 15.042 9.824 ( 5.216 -2.525 -2.940) 6.498 9.911 ( 4.232 -2.729 7.364) 8.922 10.170 ( 7.642 2.501 2.296) 8.362 10.459 ( -9.564 4.242 -7.801) 13.051 10.591 ( 7.740 2.377 -14.768) 16.842 11.130 ( 9.857 -2.599 -5.521) 11.593 11.482 ( -4.386 8.038 -9.455) 13.162 11.872 ( -4.180 -5.209 -8.070) 10.475 13.868 ( -5.727 -2.584 9.455) 11.353 14.215 ( 1.518 -1.412 12.274) 12.448 ======================= Grid point 295 (150/275) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 2.469 9.960 9.591) 14.046 2.483 ( 2.248 3.699 -1.889) 4.722 2.515 ( -8.940 -7.482 -2.246) 11.873 2.765 ( 2.568 4.740 -6.128) 8.161 3.094 ( -10.102 3.388 10.659) 15.071 3.501 ( 14.638 5.208 2.326) 15.710 3.869 ( 1.190 5.094 22.306) 22.911 4.382 ( 0.545 -7.360 15.124) 16.828 4.690 ( -1.354 -11.393 4.616) 12.367 4.891 ( -5.038 -0.766 3.816) 6.367 5.270 ( 10.427 -0.198 -2.628) 10.755 5.489 ( 2.064 -1.540 -4.448) 5.140 5.819 ( -17.944 3.941 7.013) 19.665 6.057 ( 3.138 -3.882 0.822) 5.059 6.582 ( 5.007 3.709 -3.404) 7.100 7.070 ( 3.969 -5.922 0.103) 7.129 7.376 ( 3.821 3.478 3.238) 6.098 7.607 ( -11.597 13.352 -4.949) 18.364 7.896 ( 3.325 -2.388 3.523) 5.401 8.399 ( 0.102 -0.055 5.198) 5.200 8.582 ( -1.369 5.955 5.048) 7.926 8.752 ( -0.805 5.539 0.315) 5.606 9.496 ( -4.842 -11.915 4.891) 13.760 9.848 ( -4.269 -2.442 -2.666) 5.594 10.053 ( 8.099 3.371 3.292) 9.370 10.184 ( -7.290 2.340 -10.468) 12.969 10.339 ( 5.095 -0.956 3.837) 6.449 10.703 ( 15.286 2.152 -11.193) 19.068 11.233 ( -0.555 1.075 -3.505) 3.708 11.345 ( 1.056 3.944 -7.311) 8.374 11.865 ( -1.516 -7.967 -10.118) 12.967 13.843 ( -3.860 -2.373 11.123) 12.011 14.281 ( 1.389 0.096 10.261) 10.355 ======================= Grid point 301 (151/275) ======================= q-point: (-0.44 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 2.980 0.000 3.476) 4.579 2.339 ( 3.011 0.000 7.760) 8.323 2.425 ( 0.006 0.000 6.070) 6.070 2.790 ( 15.928 0.000 7.370) 17.550 2.938 ( -2.298 -0.000 -16.367) 16.527 3.590 ( -3.671 -0.000 13.650) 14.135 4.149 ( 1.387 0.000 8.782) 8.891 4.217 ( -7.118 -0.000 3.179) 7.796 4.227 ( 8.797 0.000 12.404) 15.207 4.904 ( -9.662 -0.000 0.265) 9.666 5.315 ( 2.425 0.000 -1.716) 2.971 5.377 ( -2.515 -0.000 4.565) 5.212 5.882 ( -4.580 -0.000 -1.885) 4.953 6.121 ( 20.026 0.000 -2.132) 20.139 6.210 ( -6.066 -0.000 8.697) 10.603 6.714 ( 3.474 0.000 -5.577) 6.570 7.646 ( 1.079 0.000 5.165) 5.276 7.677 ( 3.776 0.000 9.175) 9.921 7.856 ( 2.254 0.000 12.679) 12.878 8.470 ( -1.508 -0.000 -6.320) 6.497 8.926 ( 1.876 0.000 3.649) 4.103 8.978 ( -5.422 -0.000 10.146) 11.503 9.319 ( -3.920 -0.000 -10.343) 11.061 9.702 ( -0.612 -0.000 9.036) 9.057 9.781 ( -0.709 -0.000 3.127) 3.206 10.224 ( 1.971 0.000 2.134) 2.904 10.464 ( 6.129 0.000 -10.663) 12.298 10.696 ( -5.647 -0.000 -10.100) 11.572 10.946 ( 11.921 0.000 -11.516) 16.575 11.794 ( -5.841 -0.000 0.517) 5.863 11.839 ( -4.263 -0.000 -20.793) 21.225 13.859 ( -4.211 -0.000 10.274) 11.104 14.152 ( -0.580 -0.000 13.707) 13.720 ======================= Grid point 303 (152/275) ======================= q-point: (-0.33 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 0.216 3.470 9.380) 10.004 2.414 ( -2.597 -4.092 7.754) 9.144 2.460 ( 2.078 -0.729 0.809) 2.346 2.836 ( -1.517 2.003 -12.714) 12.960 3.153 ( 20.246 -1.477 6.528) 21.323 3.521 ( 0.885 8.725 4.815) 10.004 4.097 ( -7.304 3.106 16.509) 18.318 4.249 ( 0.877 -4.487 13.601) 14.349 4.323 ( -2.952 -3.794 6.016) 7.701 4.840 ( 4.173 -0.649 -4.588) 6.236 5.269 ( -1.640 5.146 1.429) 5.587 5.404 ( -2.092 -5.484 2.105) 6.235 5.867 ( 1.969 -2.311 -3.922) 4.960 6.108 ( -9.685 0.845 8.730) 13.066 6.467 ( 18.759 -5.001 -2.223) 19.541 6.755 ( 4.925 1.639 -4.083) 6.604 7.588 ( 0.369 8.547 2.820) 9.008 7.789 ( 3.504 -0.320 5.023) 6.133 7.945 ( -1.977 -6.294 8.959) 11.126 8.408 ( -2.074 2.636 -1.304) 3.599 8.780 ( -6.130 10.581 6.846) 14.015 9.013 ( -2.875 -3.869 6.684) 8.241 9.225 ( -6.527 -3.507 -5.016) 8.947 9.782 ( 3.848 -0.867 1.006) 4.070 9.817 ( 5.163 -4.264 8.229) 10.609 10.254 ( 3.865 3.588 2.848) 5.994 10.523 ( -9.736 1.745 -12.951) 16.296 10.588 ( 9.601 -1.711 -13.633) 16.762 11.098 ( 9.730 -0.492 -7.763) 12.457 11.638 ( -6.051 6.215 -6.557) 10.874 11.767 ( -4.450 -4.724 -11.951) 13.599 13.830 ( -3.784 -0.996 10.740) 11.430 14.195 ( 1.264 -0.449 13.306) 13.374 ======================= Grid point 304 (153/275) ======================= q-point: (-0.22 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -4.481 0.971 10.195) 11.179 2.401 ( -4.447 -1.480 4.178) 6.279 2.500 ( 0.586 -1.646 0.770) 1.909 2.781 ( -0.655 -0.175 -8.359) 8.387 3.273 ( -0.924 8.752 5.957) 10.627 3.633 ( 16.962 6.844 1.637) 18.364 4.008 ( -3.951 5.524 19.771) 20.905 4.268 ( -0.317 -2.085 18.479) 18.599 4.430 ( 2.478 -11.558 -3.007) 12.197 4.900 ( -1.747 1.261 5.491) 5.898 5.231 ( -1.591 -2.900 3.141) 4.562 5.438 ( 3.387 -2.722 -3.560) 5.617 5.909 ( -10.424 -0.499 1.683) 10.571 5.974 ( 5.184 1.454 -0.584) 5.416 6.694 ( 8.103 4.225 -4.993) 10.413 6.899 ( 10.677 -7.289 1.371) 13.000 7.493 ( -3.188 5.895 0.787) 6.748 7.786 ( -8.151 2.517 1.432) 8.650 7.928 ( 2.004 4.638 2.279) 5.543 8.378 ( -1.631 -0.115 7.358) 7.537 8.642 ( -3.304 2.315 3.356) 5.248 8.953 ( -2.730 8.520 5.841) 10.685 9.216 ( -4.397 -12.064 2.907) 13.165 9.805 ( -1.447 -1.738 -0.439) 2.303 10.051 ( 10.002 -3.000 1.203) 10.512 10.260 ( -3.103 4.114 -11.251) 12.375 10.327 ( -1.272 0.152 3.323) 3.561 10.720 ( 10.092 -0.675 -13.399) 16.788 11.217 ( 5.285 -1.261 -4.590) 7.113 11.461 ( -5.034 5.668 -6.269) 9.837 11.722 ( -3.512 -5.339 -11.199) 12.894 13.818 ( -2.218 -0.287 11.665) 11.877 14.272 ( 2.895 -0.721 11.412) 11.795 ======================= Grid point 305 (154/275) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -8.354 -4.563 8.959) 13.072 2.369 ( 1.108 4.043 4.953) 6.489 2.479 ( -5.727 -2.057 -1.227) 6.208 2.762 ( -0.477 -0.858 -3.866) 3.989 3.155 ( 0.669 14.098 5.479) 15.140 3.669 ( -0.981 8.083 -0.982) 8.201 4.006 ( 1.786 1.807 18.330) 18.505 4.446 ( 6.698 -4.022 20.368) 21.815 4.588 ( 3.627 -10.395 -3.335) 11.504 4.791 ( -9.731 0.586 8.658) 13.039 5.173 ( -14.234 -4.725 8.457) 17.218 5.651 ( 20.027 -3.700 -6.650) 21.425 5.702 ( -6.509 8.202 0.206) 10.473 6.114 ( 9.258 -2.480 -4.356) 10.528 6.722 ( 5.899 6.955 -3.968) 9.945 7.045 ( -3.430 0.223 1.263) 3.662 7.391 ( -5.845 1.861 -0.176) 6.136 7.580 ( -3.376 4.943 1.398) 6.147 7.954 ( 2.361 2.312 4.714) 5.757 8.353 ( -5.531 -1.672 5.246) 7.804 8.625 ( -0.354 -0.329 2.688) 2.731 8.832 ( 0.209 10.131 4.620) 11.136 9.321 ( -1.689 -12.804 6.430) 14.428 9.699 ( -12.171 2.400 -8.674) 15.137 10.023 ( -5.091 -4.216 -5.723) 8.744 10.250 ( 5.203 6.552 2.320) 8.682 10.419 ( 5.420 -1.063 -0.169) 5.526 10.900 ( 12.704 -5.823 -10.970) 17.766 11.200 ( -4.278 3.593 -0.829) 5.648 11.381 ( 1.838 2.101 -5.936) 6.560 11.734 ( 0.792 -8.378 -12.337) 14.934 13.833 ( -0.287 0.048 12.769) 12.772 14.346 ( 2.589 1.175 8.715) 9.167 ======================= Grid point 312 (155/275) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -8.174 -0.000 9.266) 12.356 2.383 ( -2.982 -0.000 12.276) 12.633 2.481 ( 0.091 0.000 0.251) 0.267 2.784 ( 0.296 0.000 -11.642) 11.645 3.374 ( 2.464 0.000 5.723) 6.231 3.732 ( 16.288 0.000 3.637) 16.689 4.047 ( -5.518 -0.000 17.285) 18.144 4.276 ( 4.634 0.000 -5.467) 7.167 4.282 ( -1.967 -0.000 16.889) 17.003 4.923 ( 4.664 0.000 5.668) 7.340 5.186 ( -13.551 -0.000 7.377) 15.429 5.406 ( 7.031 0.000 -4.145) 8.162 5.868 ( -2.057 -0.000 -3.652) 4.192 6.031 ( 0.132 0.000 2.125) 2.129 6.711 ( 14.751 0.000 -3.700) 15.208 6.842 ( 6.686 0.000 -1.559) 6.865 7.561 ( -7.464 -0.000 -1.175) 7.556 7.830 ( -8.242 -0.000 5.518) 9.919 7.948 ( 8.990 0.000 5.031) 10.302 8.413 ( -0.095 -0.000 5.266) 5.267 8.674 ( -14.911 -0.000 7.093) 16.513 8.975 ( 1.181 0.000 4.203) 4.366 9.135 ( -3.433 -0.000 0.149) 3.437 9.783 ( -0.328 -0.000 0.263) 0.421 10.000 ( 12.124 0.000 3.962) 12.755 10.308 ( -7.115 -0.000 -16.259) 17.748 10.339 ( 0.086 0.000 6.650) 6.651 10.702 ( 8.758 0.000 -14.200) 16.683 11.203 ( 6.372 0.000 -6.034) 8.776 11.540 ( -10.048 -0.000 0.896) 10.088 11.651 ( -0.623 -0.000 -17.974) 17.985 13.818 ( -1.213 -0.000 11.916) 11.978 14.262 ( 3.142 0.000 11.875) 12.284 ======================= Grid point 313 (156/275) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -12.662 -1.385 11.271) 17.008 2.350 ( -7.807 -4.092 10.116) 13.418 2.487 ( 1.842 2.147 3.287) 4.337 2.781 ( 2.915 1.266 -8.934) 9.482 3.367 ( 0.922 5.220 2.090) 5.698 3.830 ( -1.094 5.717 0.763) 5.870 4.032 ( -2.008 -0.006 16.057) 16.182 4.366 ( 3.881 -5.128 1.354) 6.572 4.439 ( 12.412 -1.076 12.480) 17.634 4.861 ( -15.634 5.663 10.859) 19.860 5.038 ( -8.009 -7.253 10.167) 14.836 5.595 ( 17.851 -1.371 -6.629) 19.091 5.786 ( -5.314 0.491 0.896) 5.411 6.116 ( 10.520 1.762 -6.342) 12.409 6.844 ( 7.007 3.403 -6.995) 10.469 7.007 ( 8.887 -2.349 3.613) 9.876 7.392 ( -11.435 -0.043 -1.748) 11.568 7.681 ( -9.226 2.552 1.784) 9.737 8.063 ( 5.281 4.856 4.382) 8.407 8.360 ( -6.779 4.679 6.225) 10.324 8.535 ( -6.249 -7.858 4.110) 10.849 9.016 ( 0.772 2.827 7.443) 7.999 9.113 ( 0.408 -3.107 3.143) 4.438 9.757 ( -4.416 2.226 -2.831) 5.699 9.935 ( -12.992 -3.189 -13.398) 18.934 10.367 ( 6.498 3.682 2.628) 7.917 10.388 ( 8.913 -1.317 4.015) 9.864 10.781 ( 4.116 -4.008 -11.945) 13.255 11.259 ( 1.397 1.783 -3.426) 4.107 11.388 ( -5.843 -1.025 -2.861) 6.586 11.630 ( 2.606 -1.618 -14.592) 14.911 13.846 ( 0.780 0.699 12.620) 12.664 14.355 ( 4.451 -0.036 8.936) 9.983 ======================= Grid point 314 (157/275) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -12.900 -6.216 12.087) 18.739 2.264 ( -13.302 -6.566 6.240) 16.093 2.512 ( 4.653 5.771 7.830) 10.782 2.796 ( 4.228 2.614 -4.709) 6.847 3.318 ( 1.380 8.663 -0.034) 8.773 3.697 ( -3.610 7.586 -4.592) 9.574 4.067 ( 0.498 -0.612 12.910) 12.934 4.451 ( -20.447 -3.739 18.259) 27.667 4.514 ( 1.986 -2.354 5.430) 6.243 4.692 ( -0.857 -2.651 16.774) 17.004 5.021 ( -0.927 -0.436 0.222) 1.048 5.719 ( -0.312 3.805 0.702) 3.882 5.945 ( 22.170 -3.197 -1.440) 22.446 6.273 ( 13.148 0.680 -8.169) 15.494 6.879 ( 6.405 5.935 -5.944) 10.563 6.973 ( -10.955 7.592 0.720) 13.348 7.297 ( -5.356 -0.677 1.042) 5.498 7.553 ( -2.661 -3.473 2.642) 5.111 8.033 ( -1.316 7.582 4.824) 9.082 8.233 ( -8.128 -1.607 2.897) 8.777 8.566 ( -2.560 -7.082 1.140) 7.616 8.985 ( 2.969 9.544 7.875) 12.725 9.221 ( 1.115 -8.726 4.512) 9.887 9.480 ( -16.118 5.743 -11.177) 20.438 9.879 ( -3.051 -8.658 -2.602) 9.542 10.363 ( -0.138 4.465 4.715) 6.496 10.497 ( 3.153 3.591 -2.886) 5.582 10.872 ( -1.091 -9.185 -5.966) 11.007 11.192 ( -1.479 2.697 -4.978) 5.852 11.397 ( 1.930 -5.026 -4.289) 6.884 11.706 ( 9.009 -2.067 -11.814) 15.000 13.890 ( 1.497 1.327 13.170) 13.321 14.437 ( 4.221 2.117 5.207) 7.030 ======================= Grid point 322 (158/275) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -15.685 -0.000 15.428) 22.001 2.180 ( -12.755 -0.000 8.386) 15.265 2.580 ( 4.728 0.000 7.308) 8.704 2.828 ( 4.830 0.000 -6.206) 7.864 3.406 ( -0.126 -0.000 -1.440) 1.446 3.796 ( -4.464 -0.000 -2.874) 5.309 4.056 ( 0.256 0.000 11.093) 11.096 4.356 ( -6.781 -0.000 10.535) 12.529 4.553 ( -17.700 -0.000 6.280) 18.781 4.655 ( 5.603 0.000 24.167) 24.808 5.011 ( 1.781 0.000 1.220) 2.159 5.746 ( -0.619 -0.000 2.032) 2.124 5.909 ( 23.069 0.000 -2.746) 23.232 6.292 ( 12.435 0.000 -8.201) 14.896 6.945 ( 6.103 0.000 -7.353) 9.555 7.154 ( 7.314 0.000 5.211) 8.980 7.161 ( -14.588 -0.000 -2.321) 14.771 7.542 ( -10.387 -0.000 1.151) 10.451 8.164 ( 1.359 0.000 2.027) 2.440 8.241 ( -11.783 -0.000 2.091) 11.967 8.415 ( -3.605 -0.000 5.335) 6.439 9.086 ( 2.961 0.000 6.864) 7.476 9.138 ( 2.841 0.000 4.867) 5.636 9.589 ( -17.953 -0.000 -15.366) 23.631 9.736 ( -2.745 -0.000 -0.186) 2.751 10.406 ( -0.690 -0.000 5.228) 5.273 10.592 ( 8.785 0.000 1.197) 8.866 10.711 ( -4.635 -0.000 -7.182) 8.548 11.259 ( -4.627 -0.000 -6.259) 7.783 11.291 ( 0.409 0.000 -4.069) 4.089 11.698 ( 10.758 0.000 -11.331) 15.624 13.909 ( 1.719 0.000 12.900) 13.014 14.458 ( 5.811 0.000 4.714) 7.483 ======================= Grid point 323 (159/275) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -14.438 -4.795 17.289) 23.029 1.985 ( -16.954 -3.490 7.528) 18.876 2.633 ( 0.614 2.337 7.344) 7.731 2.930 ( 10.332 2.569 2.807) 11.010 3.340 ( -5.101 2.250 -5.658) 7.944 3.722 ( 0.321 4.863 -4.617) 6.714 3.999 ( -17.500 -1.754 6.384) 18.710 4.185 ( -7.266 -0.236 29.423) 30.308 4.535 ( 5.637 -3.359 -6.403) 9.169 4.743 ( -1.657 2.116 27.016) 27.150 5.039 ( 1.622 -0.059 -2.519) 2.997 5.776 ( 3.755 0.893 3.635) 5.302 6.264 ( 18.883 -0.133 1.641) 18.955 6.465 ( 11.720 -0.478 -7.794) 14.083 6.874 ( -11.327 10.068 -1.676) 15.248 7.011 ( 5.453 3.082 -6.619) 9.113 7.234 ( -3.905 2.089 2.703) 5.189 7.424 ( -5.746 -9.636 2.641) 11.526 8.082 ( -5.430 7.092 3.288) 9.518 8.106 ( -4.748 0.502 -0.993) 4.876 8.406 ( -6.148 -10.011 -0.071) 11.749 9.102 ( -8.887 -1.834 -7.509) 11.778 9.170 ( 3.581 8.548 4.030) 10.106 9.336 ( -2.076 0.139 4.344) 4.816 9.733 ( -3.045 -7.867 -0.749) 8.469 10.379 ( -3.098 1.910 3.834) 5.287 10.548 ( -3.849 5.785 -0.626) 6.977 10.727 ( -2.377 -7.597 -1.111) 8.038 11.169 ( -1.946 2.876 -8.939) 9.590 11.313 ( -1.302 -7.452 -4.371) 8.736 11.872 ( 13.304 0.567 -8.764) 15.942 13.963 ( 1.224 0.996 13.098) 13.193 14.550 ( 5.826 2.247 -0.577) 6.271 ======================= Grid point 332 (160/275) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -12.824 -0.000 21.317) 24.877 1.698 ( -18.904 -0.000 9.798) 21.292 2.623 ( -5.230 -0.000 11.936) 13.031 3.167 ( 12.410 0.000 7.067) 14.281 3.204 ( -9.057 -0.000 -8.920) 12.712 3.742 ( -11.756 -0.000 15.729) 19.637 3.764 ( 2.270 0.000 -5.479) 5.930 4.207 ( -1.711 -0.000 17.771) 17.853 4.615 ( 8.821 0.000 -5.298) 10.290 4.802 ( -1.216 -0.000 21.932) 21.966 5.034 ( -2.150 -0.000 2.765) 3.502 5.876 ( 6.112 0.000 5.547) 8.254 6.511 ( -4.254 -0.000 -1.887) 4.654 6.511 ( 9.450 0.000 4.463) 10.451 6.881 ( 6.208 0.000 -6.815) 9.219 7.074 ( 1.318 0.000 -4.627) 4.811 7.167 ( -12.328 -0.000 -2.531) 12.585 7.273 ( 1.022 0.000 4.895) 5.000 8.009 ( -5.035 -0.000 -2.066) 5.442 8.120 ( 1.160 0.000 -0.209) 1.179 8.185 ( -10.799 -0.000 -1.113) 10.857 8.859 ( -13.174 -0.000 -16.195) 20.877 9.339 ( 7.332 0.000 3.063) 7.946 9.384 ( 4.829 0.000 14.378) 15.167 9.642 ( -1.943 -0.000 0.092) 1.946 10.333 ( -5.059 -0.000 3.023) 5.894 10.476 ( -7.094 -0.000 0.942) 7.156 10.671 ( -1.115 -0.000 4.519) 4.654 11.152 ( -0.018 -0.000 -12.262) 12.262 11.202 ( -4.556 -0.000 -2.149) 5.038 12.042 ( 9.683 0.000 -7.570) 12.291 14.017 ( 0.391 0.000 13.082) 13.088 14.644 ( 4.727 0.000 -7.378) 8.762 ======================= Grid point 333 (161/275) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -5.778 -0.000 23.858) 24.548 1.878 ( 10.672 0.000 16.778) 19.884 2.686 ( -5.417 -0.000 -9.637) 11.055 2.854 ( 0.160 0.000 3.615) 3.618 3.132 ( -9.469 -0.000 3.018) 9.938 3.565 ( -0.859 -0.000 -11.262) 11.294 4.221 ( 16.113 0.000 -1.720) 16.205 4.517 ( -12.607 -0.000 22.430) 25.730 4.619 ( -1.822 -0.000 -9.132) 9.312 4.928 ( 8.542 0.000 4.249) 9.541 5.603 ( -2.608 -0.000 25.500) 25.633 6.015 ( -1.631 -0.000 -0.946) 1.885 6.382 ( -12.763 -0.000 6.398) 14.277 6.664 ( -6.024 -0.000 5.248) 7.989 6.703 ( -7.536 -0.000 -1.057) 7.610 7.030 ( 15.832 0.000 -8.165) 17.813 7.079 ( -0.114 -0.000 6.358) 6.359 7.245 ( -5.977 -0.000 -2.055) 6.320 7.790 ( -4.784 -0.000 0.350) 4.797 7.974 ( -2.718 -0.000 -0.014) 2.718 8.296 ( 9.496 0.000 -3.850) 10.247 8.298 ( 5.075 0.000 -11.155) 12.256 9.574 ( 3.408 0.000 0.318) 3.423 9.710 ( 5.779 0.000 0.792) 5.833 9.799 ( 6.129 0.000 -0.980) 6.206 10.254 ( -7.392 -0.000 8.841) 11.524 10.358 ( -4.166 -0.000 3.198) 5.252 10.868 ( 0.768 0.000 -10.184) 10.212 10.957 ( -2.654 -0.000 15.281) 15.509 10.987 ( -0.136 -0.000 -3.875) 3.877 12.043 ( 1.449 0.000 -5.728) 5.908 14.312 ( 0.544 0.000 8.733) 8.750 14.321 ( -3.317 -0.000 -12.249) 12.690 ======================= Grid point 334 (162/275) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -3.286 -3.502 23.033) 23.528 2.154 ( 13.979 -1.880 14.025) 19.890 2.572 ( -4.060 2.246 -8.213) 9.433 2.853 ( -1.529 -0.469 -8.688) 8.834 3.068 ( 3.003 1.331 13.388) 13.785 3.501 ( -2.962 1.135 -8.810) 9.364 4.339 ( -15.641 0.363 18.230) 24.023 4.447 ( 11.857 -0.077 -6.092) 13.331 4.599 ( 2.672 -1.434 -7.853) 8.419 5.030 ( 3.175 0.814 7.207) 7.917 5.562 ( -4.582 8.744 21.111) 23.305 6.002 ( -6.956 -0.045 6.685) 9.648 6.131 ( -9.304 3.276 1.608) 9.994 6.516 ( -12.332 1.264 6.359) 13.932 6.609 ( -5.776 -0.607 0.796) 5.862 7.092 ( 4.015 5.078 1.569) 6.661 7.186 ( -4.011 -6.591 -4.042) 8.710 7.249 ( 12.911 3.167 -0.037) 13.294 7.785 ( -3.725 -10.428 0.815) 11.103 7.991 ( 2.284 -4.479 -2.602) 5.661 8.376 ( 10.019 3.001 -6.091) 12.103 8.462 ( 8.186 -4.082 -5.378) 10.611 9.621 ( 1.372 -1.816 -0.963) 2.472 9.816 ( 8.931 3.552 -3.318) 10.169 9.915 ( 6.103 -4.597 -3.100) 8.246 10.160 ( -4.374 2.497 9.749) 10.973 10.328 ( -3.581 -3.253 5.327) 7.196 10.751 ( -5.883 8.629 4.535) 11.386 10.933 ( -3.945 -8.122 -3.457) 9.668 11.095 ( 8.650 1.793 0.075) 8.834 12.021 ( -1.201 1.460 -6.022) 6.312 14.210 ( -3.719 3.504 -6.836) 8.535 14.356 ( 0.074 -1.857 6.847) 7.094 ======================= Grid point 335 (163/275) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.080 -7.306 19.145) 20.492 2.341 ( 2.063 -2.265 3.125) 4.377 2.489 ( -0.950 -0.015 -4.732) 4.827 2.763 ( -5.846 0.272 -4.080) 7.134 3.286 ( 17.390 4.037 7.242) 19.266 3.415 ( -1.613 0.977 1.291) 2.285 4.138 ( -13.996 -1.459 13.235) 19.318 4.526 ( 3.983 2.206 -6.698) 8.099 4.730 ( 8.593 -6.067 -9.412) 14.115 5.081 ( 4.085 2.715 7.451) 8.921 5.415 ( -4.812 13.020 15.729) 20.978 5.720 ( -15.331 7.578 3.935) 17.548 6.160 ( -1.412 -5.687 11.181) 12.624 6.289 ( -16.946 -0.928 7.896) 18.718 6.533 ( -1.389 3.540 -2.875) 4.767 7.070 ( -2.960 -1.150 -4.360) 5.393 7.221 ( 2.481 -1.758 -2.867) 4.179 7.405 ( 8.586 0.615 7.898) 11.682 7.872 ( 0.751 -8.465 -0.187) 8.500 8.114 ( 4.591 -8.732 -2.286) 10.127 8.465 ( 3.609 -0.664 -3.517) 5.083 8.617 ( 8.983 -0.740 -3.730) 9.755 9.651 ( 1.042 -1.146 -3.591) 3.911 9.835 ( -1.249 2.210 -4.083) 4.808 10.056 ( 4.820 -1.250 -1.122) 5.104 10.183 ( 7.188 -1.483 5.562) 9.209 10.344 ( -0.015 -2.389 6.091) 6.543 10.581 ( -6.092 6.957 10.369) 13.894 10.948 ( -2.102 -6.368 -7.770) 10.264 11.206 ( 8.386 2.578 -2.608) 9.153 11.943 ( -3.034 3.262 -7.308) 8.558 14.105 ( -2.634 3.846 -1.887) 5.029 14.391 ( -0.435 -1.749 6.594) 6.836 ======================= Grid point 336 (164/275) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 2.488 -9.090 12.908) 15.982 2.333 ( -2.001 -1.397 -5.048) 5.607 2.510 ( 0.754 -2.731 -2.872) 4.035 2.682 ( -2.731 0.254 3.992) 4.844 3.261 ( -6.817 0.905 2.871) 7.452 3.569 ( 2.441 0.401 8.406) 8.762 4.091 ( 6.010 -1.178 7.234) 9.478 4.543 ( 4.655 3.593 -5.063) 7.760 4.863 ( 0.866 -5.801 -3.582) 6.873 5.114 ( 0.333 10.303 1.217) 10.380 5.304 ( 6.414 4.728 10.652) 13.302 5.476 ( -6.914 3.804 0.870) 7.939 5.960 ( -25.061 -2.973 12.436) 28.135 6.261 ( -0.597 -1.047 11.870) 11.931 6.497 ( 4.182 3.566 -4.967) 7.409 7.014 ( -6.562 -5.094 -5.479) 9.952 7.253 ( -0.184 -1.781 -1.890) 2.603 7.567 ( 7.741 -1.299 11.043) 13.548 7.961 ( 2.526 -2.540 -0.009) 3.582 8.294 ( 4.123 -12.254 -1.141) 12.979 8.490 ( -1.750 -2.585 0.116) 3.123 8.725 ( 6.692 2.670 -2.137) 7.515 9.641 ( -0.391 2.935 -4.177) 5.121 9.747 ( -6.417 -0.003 -3.546) 7.331 10.090 ( 0.574 0.787 -0.718) 1.210 10.311 ( -0.334 -0.634 13.980) 13.998 10.372 ( 0.545 0.890 3.259) 3.422 10.598 ( 14.536 1.576 1.157) 14.667 10.961 ( -1.246 -5.713 -8.676) 10.462 11.280 ( 4.233 1.777 -3.236) 5.617 11.820 ( -3.143 5.615 -9.960) 11.858 14.043 ( -0.367 3.231 2.747) 4.256 14.415 ( -1.171 -2.036 5.851) 6.305 ======================= Grid point 337 (165/275) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -1.597 -6.466 -0.295) 6.667 2.336 ( 2.479 -4.894 3.095) 6.299 2.512 ( 0.717 4.704 3.699) 6.027 2.716 ( 2.337 -4.065 1.194) 4.839 3.173 ( -7.592 -4.356 10.183) 13.428 3.495 ( -10.048 -3.123 -1.264) 10.597 4.255 ( 6.890 2.657 6.418) 9.784 4.605 ( 9.419 3.106 -5.537) 11.359 4.832 ( -7.490 2.252 3.705) 8.654 4.960 ( -3.149 5.291 1.933) 6.454 5.383 ( -1.895 -3.967 2.861) 5.245 5.575 ( 5.379 -1.294 1.728) 5.796 5.638 ( -6.168 0.174 9.419) 11.260 6.262 ( 1.622 5.368 7.205) 9.130 6.565 ( 4.665 -2.830 -0.943) 5.537 6.934 ( -8.126 -4.463 -4.908) 10.490 7.243 ( -4.766 -4.265 -0.169) 6.398 7.722 ( 6.437 -0.238 10.035) 11.924 7.997 ( 0.664 0.813 0.694) 1.258 8.463 ( -2.132 0.088 3.329) 3.954 8.491 ( -0.345 -15.288 -0.152) 15.292 8.770 ( 4.315 3.693 -1.367) 5.842 9.533 ( -8.547 3.350 -2.770) 9.589 9.627 ( -3.716 4.054 -0.362) 5.511 10.066 ( -0.218 3.300 -0.091) 3.309 10.329 ( 0.543 0.429 12.566) 12.585 10.403 ( -0.828 -3.503 1.780) 4.016 10.821 ( 10.967 2.794 -8.000) 13.860 11.028 ( 6.787 -5.320 -3.141) 9.178 11.278 ( -1.750 -0.353 -2.670) 3.212 11.685 ( 0.169 8.572 -13.016) 15.586 14.039 ( 1.562 1.822 5.810) 6.286 14.431 ( -1.582 -2.464 4.352) 5.245 ======================= Grid point 338 (166/275) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -6.605 -0.401 -2.536) 7.087 2.423 ( -3.973 3.613 8.540) 10.088 2.531 ( 6.581 -3.901 3.548) 8.432 2.808 ( 4.170 -2.831 6.722) 8.401 3.168 ( -6.518 -8.445 4.021) 11.400 3.397 ( -3.776 -4.522 -4.835) 7.621 4.262 ( -3.318 3.431 4.367) 6.469 4.576 ( -3.202 7.307 -7.346) 10.844 4.780 ( -2.489 -3.122 11.801) 12.458 4.920 ( -1.051 -1.985 -2.911) 3.677 5.305 ( -11.894 4.635 23.118) 26.408 5.503 ( 1.325 -11.833 -2.912) 12.258 5.990 ( 26.112 1.398 -5.053) 26.634 6.272 ( 4.987 4.738 5.739) 8.959 6.675 ( 3.311 -5.814 -0.167) 6.693 6.824 ( -7.759 -1.399 -3.950) 8.818 7.195 ( -7.947 -6.006 0.808) 9.993 7.823 ( 5.346 3.919 8.063) 10.438 7.971 ( -4.331 -1.248 1.202) 4.664 8.376 ( -6.854 2.953 4.486) 8.707 8.604 ( -1.544 -4.828 -2.932) 5.855 8.811 ( 1.877 -3.154 -2.051) 4.205 9.321 ( -11.221 2.128 1.752) 11.554 9.557 ( 1.185 6.644 4.367) 8.038 10.015 ( -0.458 5.698 -0.178) 5.719 10.388 ( 0.287 -3.871 8.410) 9.263 10.415 ( -1.829 -2.433 0.359) 3.065 10.845 ( 0.019 1.045 -7.247) 7.322 11.084 ( -6.864 -1.306 -2.311) 7.360 11.375 ( 14.254 -0.850 -2.673) 14.527 11.580 ( 3.724 9.079 -13.637) 16.801 14.079 ( 2.319 -0.004 6.864) 7.246 14.441 ( -1.486 -2.523 1.762) 3.417 ======================= Grid point 339 (167/275) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -9.651 2.906 1.814) 10.241 2.269 ( -9.152 7.572 10.725) 16.004 2.687 ( 4.062 -4.793 4.065) 7.484 2.968 ( 3.226 -6.489 8.785) 11.388 3.123 ( -3.414 -5.082 -5.663) 8.339 3.467 ( 5.241 -4.806 -3.047) 7.736 4.092 ( -14.391 1.288 1.696) 14.548 4.502 ( 4.712 4.883 -4.673) 8.240 4.764 ( -6.864 -0.759 19.901) 21.065 4.865 ( -8.087 -3.216 -4.010) 9.583 5.277 ( 3.445 0.495 19.897) 20.200 5.693 ( 7.178 -10.315 -1.113) 12.616 6.290 ( 9.666 -4.224 -7.477) 12.930 6.400 ( 14.879 3.654 7.912) 17.244 6.689 ( -7.600 -0.166 -0.991) 7.666 6.808 ( 5.058 -5.350 -3.107) 7.991 7.129 ( -7.806 -5.715 0.173) 9.676 7.816 ( 2.547 16.009 5.660) 17.170 7.929 ( -7.927 -11.194 3.350) 14.120 8.225 ( -5.766 6.533 1.569) 8.854 8.540 ( -4.192 4.400 -4.794) 7.740 8.762 ( -11.991 -2.280 -8.193) 14.700 9.256 ( 2.167 -2.337 7.886) 8.506 9.544 ( 2.804 4.901 6.837) 8.867 9.924 ( -1.502 8.369 0.339) 8.509 10.391 ( -5.326 -4.162 3.030) 7.407 10.469 ( 0.897 -4.790 4.332) 6.521 10.791 ( -2.868 1.618 -1.924) 3.814 10.968 ( -6.395 -2.103 -6.585) 9.417 11.425 ( 0.809 9.819 -5.660) 11.363 11.684 ( 14.877 -1.041 -7.595) 16.736 14.143 ( 2.056 -1.619 6.553) 7.056 14.445 ( -1.070 -1.977 -2.092) 3.070 ======================= Grid point 340 (168/275) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -9.746 2.966 6.836) 12.268 2.071 ( -9.552 6.911 16.891) 20.598 2.780 ( 1.289 -2.575 5.414) 6.132 2.932 ( -8.914 -5.106 -9.834) 14.221 3.269 ( 4.798 -6.953 4.559) 9.599 3.590 ( 5.675 -0.359 -2.439) 6.187 3.875 ( -7.526 0.524 0.913) 7.599 4.571 ( 10.053 2.949 -3.064) 10.915 4.696 ( -8.352 0.395 20.875) 22.487 4.775 ( -5.593 -2.633 -2.793) 6.783 5.414 ( 3.161 -3.135 20.336) 20.818 5.912 ( 7.585 -6.387 2.145) 10.145 6.462 ( 3.521 -13.180 -8.781) 16.224 6.531 ( 0.358 3.465 4.204) 5.460 6.634 ( 4.853 -0.406 3.576) 6.042 6.909 ( -3.405 -7.735 -0.331) 8.458 7.092 ( 0.145 -0.744 -2.660) 2.766 7.626 ( -4.731 16.481 4.444) 17.713 7.957 ( -3.567 -9.436 3.343) 10.627 8.086 ( -0.768 9.837 -2.345) 10.141 8.371 ( -6.427 9.209 -1.878) 11.386 8.521 ( -13.955 -1.357 -12.001) 18.456 9.385 ( 6.487 -1.971 5.226) 8.560 9.574 ( 2.786 1.470 5.661) 6.478 9.808 ( -0.765 9.070 1.914) 9.302 10.355 ( -6.064 -4.854 3.640) 8.577 10.516 ( -2.542 -1.639 4.965) 5.814 10.747 ( -0.802 -1.674 2.168) 2.854 10.904 ( -2.436 -2.472 -7.891) 8.620 11.293 ( -2.819 8.920 -3.132) 9.865 11.884 ( 10.304 -1.293 -6.322) 12.158 14.209 ( 1.208 -2.427 6.291) 6.850 14.435 ( -0.770 -1.008 -6.850) 6.967 ======================= Grid point 341 (169/275) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -2.605 1.656 13.333) 13.685 1.932 ( -7.547 3.480 21.751) 23.285 2.791 ( -6.000 -3.743 -8.163) 10.800 2.846 ( -1.114 0.517 4.059) 4.241 3.284 ( -10.070 -3.302 1.041) 10.648 3.595 ( 0.246 0.484 -8.409) 8.427 3.965 ( 14.371 0.173 2.872) 14.657 4.618 ( -7.910 -0.045 18.876) 20.466 4.683 ( -1.829 -1.003 -5.710) 6.079 4.756 ( 8.883 0.247 2.461) 9.221 5.534 ( -0.239 -3.556 23.246) 23.518 6.033 ( 0.385 -1.841 2.307) 2.976 6.466 ( -3.340 -0.963 4.296) 5.526 6.655 ( 1.905 -7.413 -1.741) 7.849 6.778 ( 8.609 -5.985 -2.934) 10.888 6.853 ( -10.502 -6.331 0.026) 12.263 7.095 ( 0.334 2.737 1.391) 3.088 7.393 ( -4.995 11.881 1.814) 13.015 7.938 ( -3.005 11.608 -2.675) 12.285 8.024 ( -2.458 -5.069 1.295) 5.781 8.190 ( -0.667 3.978 -0.630) 4.082 8.343 ( -3.921 0.950 -13.628) 14.213 9.504 ( 6.107 1.022 2.161) 6.558 9.629 ( 1.851 -3.048 2.014) 4.095 9.748 ( 3.741 6.870 2.912) 8.347 10.319 ( -6.728 -4.704 5.882) 10.099 10.447 ( -4.801 3.431 3.586) 6.905 10.818 ( 1.377 -6.593 2.733) 7.269 10.894 ( 1.588 -0.684 -5.301) 5.576 11.134 ( -6.053 6.674 0.840) 9.049 12.002 ( 5.241 -0.932 -5.946) 7.980 14.266 ( 0.448 -2.346 6.790) 7.198 14.398 ( -1.446 0.297 -10.639) 10.741 ======================= Grid point 343 (170/275) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -0.853 -0.000 23.518) 23.534 2.304 ( 2.227 0.000 6.922) 7.272 2.503 ( -3.118 -0.000 -5.841) 6.621 2.751 ( -6.956 -0.000 -3.843) 7.947 3.337 ( 20.807 0.000 14.844) 25.559 3.437 ( -2.698 -0.000 -10.133) 10.486 4.121 ( -15.243 -0.000 14.829) 21.266 4.593 ( 7.555 0.000 -11.246) 13.548 4.613 ( 3.699 0.000 -5.515) 6.641 5.113 ( 5.266 0.000 6.690) 8.514 5.583 ( -6.682 -0.000 21.949) 22.944 5.820 ( -16.566 -0.000 5.541) 17.468 6.089 ( 0.589 0.000 2.264) 2.339 6.247 ( -22.172 -0.000 8.796) 23.853 6.582 ( 1.440 0.000 -1.589) 2.144 6.987 ( -6.944 -0.000 -4.627) 8.344 7.284 ( 8.990 0.000 7.606) 11.776 7.482 ( 10.084 0.000 -6.354) 11.919 7.631 ( -6.575 -0.000 3.268) 7.342 8.059 ( 8.596 0.000 -2.125) 8.855 8.479 ( 2.288 0.000 -2.903) 3.696 8.604 ( 13.267 0.000 -5.045) 14.194 9.623 ( 0.710 0.000 -2.169) 2.282 9.881 ( -1.399 -0.000 -6.240) 6.395 10.030 ( 9.070 0.000 -2.836) 9.503 10.163 ( 0.209 0.000 9.889) 9.891 10.318 ( 5.327 0.000 5.383) 7.573 10.679 ( -11.224 -0.000 12.832) 17.048 10.855 ( 1.455 0.000 -9.941) 10.047 11.235 ( 7.271 0.000 -1.077) 7.350 11.981 ( -2.264 -0.000 -8.079) 8.391 14.157 ( -2.754 -0.000 -4.152) 4.982 14.364 ( -0.696 -0.000 7.472) 7.504 ======================= Grid point 344 (171/275) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 2.272 -3.797 20.343) 20.819 2.299 ( -3.719 -1.536 -0.793) 4.101 2.465 ( 0.352 -0.507 -2.317) 2.398 2.652 ( -6.089 -1.988 4.590) 7.880 3.347 ( -2.836 4.504 -6.983) 8.780 3.572 ( -3.170 -0.412 9.909) 10.412 4.080 ( 10.390 -0.051 10.045) 14.452 4.603 ( 3.582 3.143 -6.870) 8.361 4.721 ( 2.874 -6.605 -4.573) 8.533 5.237 ( 8.511 2.419 -0.211) 8.851 5.470 ( -7.793 7.372 14.080) 17.701 5.575 ( -9.824 3.681 4.066) 11.252 5.892 ( -26.070 -2.589 12.003) 28.817 6.143 ( -0.277 -5.753 7.003) 9.067 6.619 ( 6.080 4.463 -2.581) 7.971 6.889 ( -6.895 -4.250 -4.476) 9.254 7.374 ( 1.894 11.399 1.082) 11.606 7.505 ( 3.604 -2.516 9.529) 10.494 7.717 ( -0.247 -16.781 -2.224) 16.930 8.205 ( 9.341 0.717 -0.675) 9.393 8.479 ( -0.949 0.292 -0.838) 1.300 8.784 ( 11.082 2.159 -3.103) 11.709 9.633 ( 0.311 -1.932 -3.704) 4.189 9.795 ( -5.289 3.060 -3.084) 6.845 10.080 ( -1.133 -1.432 0.371) 1.863 10.229 ( 2.164 -2.264 7.498) 8.126 10.495 ( 2.901 6.067 8.123) 10.545 10.592 ( 9.981 -2.533 4.353) 11.179 10.862 ( 0.112 -2.822 -9.286) 9.706 11.302 ( 1.332 0.427 -1.624) 2.143 11.913 ( -0.748 2.505 -12.040) 12.320 14.113 ( -0.316 2.470 0.711) 2.589 14.368 ( -2.396 -1.793 6.539) 7.191 ======================= Grid point 345 (172/275) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 3.116 -5.215 11.885) 13.348 2.258 ( -2.197 -3.072 -0.987) 3.904 2.526 ( 4.921 -2.366 2.165) 5.874 2.629 ( -3.018 -3.924 8.574) 9.900 3.199 ( -6.861 6.730 -0.122) 9.611 3.445 ( -10.627 -2.389 0.336) 10.898 4.313 ( 10.596 2.470 8.908) 14.061 4.639 ( 5.768 -0.157 -7.932) 9.809 4.780 ( -3.588 -4.174 1.689) 5.757 5.145 ( -9.608 8.482 -0.818) 12.842 5.303 ( -11.158 -1.477 0.994) 11.299 5.573 ( -17.656 -0.396 18.873) 25.848 5.653 ( 18.692 0.994 -2.123) 18.838 6.225 ( -0.372 -5.701 8.908) 10.583 6.645 ( 5.663 7.435 -2.780) 9.751 6.839 ( -3.273 -4.156 -3.017) 6.090 7.238 ( -7.054 3.926 2.559) 8.469 7.627 ( 0.877 -5.366 7.106) 8.947 7.907 ( 3.776 -12.928 3.557) 13.931 8.315 ( 4.994 0.812 0.109) 5.061 8.457 ( -1.456 -0.607 1.876) 2.451 8.881 ( 7.129 5.661 -2.014) 9.324 9.630 ( -8.686 3.220 -1.011) 9.319 9.648 ( -0.063 0.617 -3.587) 3.640 10.072 ( -2.744 -2.674 1.589) 4.148 10.294 ( 0.181 -1.515 10.120) 10.234 10.432 ( -0.558 3.686 5.154) 6.361 10.843 ( 2.495 -0.835 -11.673) 11.965 10.943 ( 18.553 -2.138 0.628) 18.686 11.256 ( -6.214 -1.292 -1.737) 6.580 11.846 ( 2.686 5.856 -15.774) 17.039 14.099 ( 1.390 3.357 4.687) 5.930 14.364 ( -3.416 -3.412 5.494) 7.314 ======================= Grid point 346 (173/275) ======================= q-point: (-0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -2.736 -2.458 -0.475) 3.708 2.354 ( 4.696 -5.604 6.552) 9.817 2.608 ( 2.004 3.477 7.351) 8.375 2.715 ( 4.319 -6.110 6.094) 9.650 3.024 ( -9.725 -1.278 2.123) 10.036 3.343 ( -3.361 -0.631 -0.877) 3.531 4.349 ( -4.560 4.782 5.467) 8.576 4.677 ( -8.744 -1.209 0.045) 8.827 4.732 ( 2.854 -1.960 -3.256) 4.752 4.900 ( -9.477 3.262 -2.039) 10.228 5.225 ( -7.208 -9.887 2.554) 12.499 5.424 ( -4.189 2.942 17.934) 18.650 5.992 ( 19.382 -2.153 -7.584) 20.924 6.306 ( 4.919 -0.310 8.858) 10.137 6.642 ( 1.665 1.860 -1.735) 3.040 6.843 ( 2.410 2.962 -0.746) 3.891 7.097 ( -10.109 -2.669 3.144) 10.918 7.679 ( -5.035 -8.582 4.127) 10.772 8.089 ( 6.146 -0.207 8.605) 10.576 8.340 ( -3.430 -3.388 1.832) 5.157 8.482 ( 2.955 -1.503 1.182) 3.520 8.888 ( 2.713 6.603 -1.719) 7.343 9.414 ( -9.821 6.368 2.144) 11.900 9.642 ( 0.285 1.142 -1.150) 1.646 10.059 ( -2.636 -2.082 1.583) 3.714 10.328 ( -0.492 -0.591 9.522) 9.553 10.422 ( 1.189 2.020 -0.252) 2.357 10.824 ( -2.005 -2.308 -9.214) 9.708 11.065 ( -8.284 -0.525 -2.666) 8.718 11.340 ( 17.808 -1.956 -2.252) 18.056 11.776 ( 3.224 8.303 -16.593) 18.832 14.108 ( 1.694 2.496 6.171) 6.869 14.366 ( -3.154 -4.279 4.520) 6.978 ======================= Grid point 347 (174/275) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -5.478 1.361 0.207) 5.648 2.442 ( -2.481 4.862 9.258) 10.747 2.596 ( 3.341 -0.217 -0.845) 3.453 2.850 ( -1.140 -4.643 8.427) 9.688 2.968 ( -2.356 -8.469 -1.103) 8.860 3.380 ( 5.835 -2.391 4.133) 7.539 4.118 ( -17.386 1.001 -0.025) 17.415 4.590 ( -1.151 2.673 5.484) 6.208 4.767 ( -1.981 -2.633 -3.959) 5.150 4.775 ( -5.282 -0.897 2.646) 5.976 5.260 ( -1.373 -4.787 13.922) 14.786 5.481 ( 4.895 -6.057 3.787) 8.660 6.172 ( 1.535 -6.444 -6.643) 9.381 6.478 ( 12.711 3.755 7.064) 15.019 6.652 ( -2.855 -3.562 1.027) 4.679 6.822 ( 2.273 4.943 -1.011) 5.534 7.023 ( -3.331 -2.852 1.780) 4.733 7.693 ( -5.880 -9.862 3.230) 11.928 8.126 ( 2.855 11.163 9.405) 14.873 8.296 ( -4.538 -0.547 1.330) 4.760 8.557 ( 2.462 -1.403 -3.110) 4.207 8.804 ( -5.700 5.519 -1.572) 8.089 9.263 ( -0.665 4.145 5.572) 6.976 9.635 ( 0.870 2.427 3.753) 4.553 10.033 ( -2.308 0.348 -0.144) 2.338 10.331 ( -2.761 0.027 5.201) 5.889 10.419 ( 0.379 0.065 0.654) 0.759 10.785 ( -3.265 -2.059 -5.358) 6.604 10.919 ( -8.587 -2.417 -5.795) 10.637 11.594 ( 8.993 3.420 -3.174) 10.132 11.701 ( 7.007 4.877 -14.382) 16.725 14.132 ( 1.451 0.586 5.045) 5.283 14.378 ( -2.413 -4.068 3.322) 5.780 ======================= Grid point 348 (175/275) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -7.727 5.090 4.666) 10.363 2.274 ( -6.835 11.842 10.897) 17.484 2.706 ( 3.511 -4.520 2.484) 6.239 2.790 ( -8.954 -6.629 -7.878) 13.644 3.095 ( 0.928 -9.161 2.510) 9.544 3.566 ( 10.370 -1.661 7.266) 12.771 3.882 ( -9.082 -0.438 -0.572) 9.110 4.590 ( -1.192 -0.129 11.653) 11.715 4.697 ( -4.857 -3.636 -5.719) 8.337 4.763 ( 0.969 3.854 5.522) 6.804 5.337 ( -0.981 -4.001 16.869) 17.365 5.708 ( 9.968 -11.901 -0.824) 15.546 6.233 ( 0.384 -7.502 -5.704) 9.432 6.561 ( -13.187 -5.697 4.314) 14.998 6.592 ( 3.180 1.092 7.933) 8.616 6.863 ( 3.237 1.098 -3.471) 4.872 7.035 ( 1.194 -1.268 1.336) 2.195 7.749 ( 1.544 -7.103 0.609) 7.294 7.992 ( -5.362 13.926 9.697) 17.796 8.260 ( 3.027 4.589 -2.230) 5.933 8.524 ( -2.612 5.592 -7.871) 10.002 8.590 ( -9.129 7.824 -1.200) 12.083 9.338 ( 7.735 -0.854 5.911) 9.772 9.637 ( 1.049 2.988 6.784) 7.487 9.974 ( -1.666 4.275 -0.481) 4.613 10.275 ( -5.599 -1.577 3.057) 6.571 10.444 ( -0.159 -2.865 3.380) 4.433 10.733 ( -3.852 -0.710 -1.328) 4.136 10.835 ( -3.672 -4.029 -7.683) 9.421 11.495 ( -2.623 9.447 -8.424) 12.927 11.852 ( 9.698 -1.485 -6.220) 11.616 14.167 ( 0.934 -1.305 2.865) 3.283 14.389 ( -1.844 -3.112 1.407) 3.881 ======================= Grid point 349 (176/275) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -2.833 4.768 11.582) 12.842 2.081 ( -6.315 10.464 15.688) 19.887 2.687 ( -6.513 -5.444 -9.256) 12.559 2.816 ( 1.670 -3.454 2.348) 4.498 3.146 ( -5.995 -9.026 -5.666) 12.227 3.631 ( -2.888 2.424 3.994) 5.493 3.959 ( 14.909 -1.006 2.574) 15.163 4.570 ( -7.512 -3.242 12.023) 14.543 4.679 ( -4.034 -2.162 5.591) 7.226 4.784 ( 9.075 4.454 -2.467) 10.405 5.400 ( -4.542 -8.030 16.623) 19.011 5.970 ( 7.594 -4.930 3.030) 9.548 6.334 ( -2.759 -11.008 1.222) 11.414 6.445 ( -5.197 -8.864 -2.331) 10.536 6.652 ( 0.287 -3.724 5.054) 6.284 6.825 ( -4.764 0.568 0.718) 4.851 7.075 ( 0.014 -2.241 2.738) 3.538 7.726 ( -5.982 16.497 2.144) 17.678 7.907 ( 5.191 -5.130 0.723) 7.334 8.239 ( 2.201 11.265 -0.250) 11.481 8.319 ( -6.773 7.171 -6.976) 12.081 8.423 ( 0.795 9.489 -7.093) 11.873 9.497 ( 8.427 -1.287 2.556) 8.899 9.634 ( 0.375 2.773 4.588) 5.374 9.908 ( 1.327 6.660 1.560) 6.968 10.221 ( -5.955 -3.854 3.944) 8.116 10.470 ( -2.488 -2.008 5.317) 6.204 10.691 ( -2.898 -3.450 -0.076) 4.506 10.843 ( 1.516 -3.956 -4.974) 6.533 11.314 ( -5.060 9.037 -5.520) 11.736 11.968 ( 4.636 -2.041 -5.652) 7.590 14.202 ( -0.132 -2.991 0.615) 3.056 14.389 ( -1.543 -1.402 -0.183) 2.093 ======================= Grid point 350 (177/275) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 6.956 2.804 16.793) 18.392 1.955 ( -1.380 6.991 19.269) 20.544 2.628 ( -4.556 -4.570 -10.247) 12.109 2.859 ( 0.716 -0.121 2.202) 2.319 3.091 ( -7.435 -4.773 -2.707) 9.240 3.562 ( -3.108 0.647 -3.139) 4.464 4.226 ( 16.076 0.189 -1.783) 16.176 4.500 ( -10.459 -1.492 18.535) 21.335 4.623 ( -2.983 0.412 -2.198) 3.728 4.921 ( 8.382 -0.320 2.075) 8.640 5.470 ( -4.832 -11.021 17.130) 20.935 6.044 ( 0.355 2.592 7.273) 7.729 6.258 ( -15.331 -10.151 4.498) 18.929 6.580 ( -1.858 -5.115 -0.200) 5.445 6.726 ( -4.239 -0.645 0.907) 4.382 6.812 ( 9.058 -12.410 -0.883) 15.389 7.111 ( 2.381 -0.382 5.502) 6.007 7.442 ( -7.531 15.396 -1.361) 17.193 7.943 ( -4.864 4.031 -0.121) 6.318 8.097 ( -1.188 12.350 -3.094) 12.786 8.225 ( 8.670 3.945 -6.545) 11.557 8.404 ( 6.539 4.400 -6.451) 10.185 9.622 ( 1.848 3.215 1.446) 3.980 9.650 ( 7.776 -2.619 -1.119) 8.281 9.891 ( 4.296 5.990 0.909) 7.427 10.185 ( -5.768 -4.170 6.290) 9.499 10.419 ( -4.352 3.003 4.994) 7.273 10.716 ( -3.075 -8.476 1.043) 9.077 10.940 ( 6.539 -3.231 -0.612) 7.319 11.118 ( -6.037 8.578 -2.924) 10.889 12.019 ( 1.071 -2.105 -5.500) 5.985 14.225 ( -1.861 -4.515 -3.049) 5.757 14.370 ( -1.033 1.139 1.830) 2.391 ======================= Grid point 353 (178/275) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 4.664 0.000 18.784) 19.355 2.218 ( -4.129 -0.000 -1.525) 4.401 2.498 ( 4.586 0.000 2.025) 5.013 2.575 ( -4.191 -0.000 8.452) 9.434 3.342 ( 0.772 0.000 -6.887) 6.931 3.375 ( -16.584 -0.000 3.401) 16.929 4.344 ( 11.750 0.000 10.180) 15.546 4.627 ( 0.953 0.000 -8.344) 8.399 4.723 ( 1.385 0.000 0.141) 1.392 5.242 ( -8.944 -0.000 -0.744) 8.975 5.306 ( -21.601 -0.000 -0.950) 21.622 5.560 ( -15.062 -0.000 21.923) 26.598 5.668 ( 17.285 0.000 -1.221) 17.328 6.149 ( 3.583 0.000 5.795) 6.813 6.755 ( -5.938 -0.000 -2.740) 6.540 6.775 ( 9.685 0.000 0.445) 9.695 7.326 ( -14.286 -0.000 2.659) 14.531 7.585 ( -0.463 -0.000 -1.069) 1.165 7.675 ( 10.988 0.000 10.844) 15.438 8.348 ( 7.067 0.000 1.818) 7.297 8.446 ( -2.811 -0.000 0.410) 2.841 8.955 ( 8.456 0.000 -2.102) 8.714 9.611 ( -0.205 -0.000 -4.380) 4.384 9.713 ( -6.927 -0.000 0.165) 6.929 10.020 ( -4.357 -0.000 2.463) 5.005 10.284 ( 2.541 0.000 7.992) 8.386 10.481 ( -3.189 -0.000 6.537) 7.274 10.821 ( -0.654 -0.000 -9.790) 9.812 10.926 ( 24.449 0.000 -1.183) 24.477 11.239 ( -8.275 -0.000 -1.465) 8.404 11.911 ( 3.398 0.000 -16.760) 17.101 14.147 ( 1.815 0.000 3.933) 4.332 14.316 ( -4.726 -0.000 6.254) 7.839 ======================= Grid point 354 (179/275) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -0.647 0.849 2.990) 3.175 2.241 ( 4.930 -4.700 10.520) 12.533 2.565 ( -2.499 -3.768 8.521) 9.646 2.625 ( 8.097 -1.545 7.495) 11.141 3.102 ( -13.002 4.012 -2.437) 13.824 3.360 ( 2.849 1.525 -2.627) 4.165 4.443 ( -1.586 2.846 8.705) 9.295 4.602 ( -14.486 -1.968 -1.391) 14.685 4.657 ( -2.822 -4.190 -5.669) 7.593 5.006 ( -8.747 1.974 -1.795) 9.144 5.094 ( -6.461 -0.747 -0.151) 6.506 5.453 ( -6.598 -0.015 17.443) 18.649 5.930 ( 11.273 -2.185 -3.618) 12.039 6.313 ( 15.216 0.564 4.821) 15.971 6.662 ( -4.722 -0.052 -1.604) 4.987 6.931 ( 10.838 3.546 2.355) 11.644 7.073 ( -16.410 -0.293 2.338) 16.578 7.566 ( -3.016 -1.556 3.030) 4.550 7.917 ( 7.567 -8.436 12.864) 17.143 8.387 ( -0.046 3.413 0.684) 3.481 8.459 ( 3.364 -1.351 3.321) 4.917 9.016 ( 2.066 4.015 -0.978) 4.620 9.554 ( -5.707 5.475 0.874) 7.957 9.627 ( -1.042 -1.759 -2.425) 3.172 9.975 ( -4.698 -3.757 3.131) 6.782 10.339 ( 1.898 0.689 9.088) 9.309 10.467 ( 0.842 1.521 -0.181) 1.748 10.777 ( -2.588 -1.497 -9.579) 10.035 11.059 ( -11.764 -0.058 -3.039) 12.151 11.305 ( 21.318 -1.048 -2.263) 21.464 11.905 ( 3.478 3.305 -18.929) 19.528 14.173 ( 1.159 3.286 6.291) 7.191 14.274 ( -4.306 -3.941 5.856) 8.268 ======================= Grid point 355 (180/275) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -1.274 1.024 1.705) 2.362 2.398 ( 4.892 -3.998 5.714) 8.518 2.616 ( -0.779 -5.637 6.640) 8.745 2.788 ( 3.350 -1.023 11.360) 11.888 2.879 ( -6.626 2.689 -5.796) 9.204 3.402 ( 7.006 4.413 4.900) 9.622 4.139 ( -23.807 1.020 -2.553) 23.966 4.543 ( -3.019 -6.924 7.665) 10.762 4.650 ( -4.595 -4.182 -2.405) 6.662 4.886 ( 0.336 7.277 -4.872) 8.764 5.101 ( 0.165 -6.885 3.666) 7.802 5.437 ( -1.204 -0.850 11.744) 11.836 6.051 ( 2.299 -4.180 -3.352) 5.831 6.551 ( 8.483 2.561 4.376) 9.883 6.596 ( -2.588 -1.466 0.663) 3.047 6.821 ( -14.256 -3.593 0.083) 14.702 7.094 ( 13.021 6.658 2.902) 14.910 7.551 ( -1.979 -2.783 4.852) 5.933 8.110 ( -1.385 -8.624 14.103) 16.589 8.374 ( 4.817 5.913 0.902) 7.680 8.535 ( 4.283 -0.708 2.337) 4.930 8.936 ( -4.950 5.852 0.425) 7.677 9.416 ( -0.645 8.794 2.947) 9.297 9.635 ( -0.475 -1.952 -1.093) 2.287 9.962 ( -4.229 -5.153 2.608) 7.159 10.376 ( 1.612 2.503 6.114) 6.800 10.449 ( -0.630 2.170 -1.973) 3.000 10.723 ( -3.900 -3.160 -8.311) 9.709 10.874 ( -10.165 -1.577 -5.006) 11.440 11.604 ( 15.190 -0.475 -2.463) 15.395 11.839 ( 1.025 5.665 -19.047) 19.898 14.156 ( -1.242 1.205 4.631) 4.943 14.292 ( -1.469 -3.383 7.249) 8.133 ======================= Grid point 356 (181/275) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -3.743 4.200 2.490) 6.152 2.485 ( -0.518 1.903 7.359) 7.619 2.634 ( 1.105 2.497 -3.621) 4.536 2.702 ( -6.993 -2.183 -3.074) 7.945 2.904 ( -2.768 -7.176 6.594) 10.131 3.551 ( 11.742 1.414 12.696) 17.351 3.845 ( -10.789 -2.679 -3.392) 11.622 4.582 ( -7.172 -5.927 -1.191) 9.380 4.608 ( -0.641 -1.143 12.360) 12.430 4.839 ( 3.107 4.286 -6.042) 8.034 5.226 ( 1.500 -7.136 8.763) 11.400 5.504 ( 4.580 -5.194 3.642) 7.825 6.109 ( 0.649 -4.670 -2.463) 5.320 6.437 ( -15.825 -4.799 2.440) 16.715 6.624 ( -0.928 1.190 6.047) 6.233 6.748 ( -5.549 -8.125 -2.469) 10.144 7.190 ( 8.834 11.752 4.750) 15.451 7.633 ( 6.951 -3.417 3.081) 8.335 8.131 ( -6.098 -2.312 8.996) 11.111 8.377 ( 3.545 8.144 2.929) 9.353 8.630 ( 6.502 1.948 -1.245) 6.901 8.755 ( -7.600 8.351 1.353) 11.373 9.399 ( 7.731 6.516 3.649) 10.749 9.651 ( -0.525 -2.116 3.896) 4.464 9.951 ( -4.212 -4.306 0.774) 6.073 10.321 ( -4.693 4.325 0.974) 6.455 10.430 ( 0.763 1.086 0.420) 1.392 10.684 ( -3.378 -4.448 -6.068) 8.247 10.755 ( -5.529 -2.398 -5.562) 8.201 11.675 ( -2.025 7.101 -12.055) 14.137 11.826 ( 8.240 -0.868 -7.526) 11.194 14.146 ( -1.005 -1.091 1.563) 2.155 14.323 ( -1.158 -2.386 7.870) 8.305 ======================= Grid point 357 (182/275) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -2.737 6.398 7.886) 10.517 2.353 ( -4.683 13.413 9.931) 17.333 2.582 ( -5.576 -3.707 -11.769) 13.540 2.722 ( 3.976 -4.287 0.602) 5.878 2.936 ( -5.658 -10.095 -3.229) 12.014 3.658 ( -3.235 -0.265 10.132) 10.639 3.924 ( 15.801 -1.958 3.229) 16.246 4.508 ( -7.464 -2.644 7.864) 11.160 4.648 ( 0.136 -0.241 5.323) 5.330 4.862 ( 4.702 1.003 -2.144) 5.264 5.263 ( -6.452 -3.031 11.902) 13.874 5.768 ( 14.144 -12.675 -1.393) 19.043 6.128 ( -10.360 -8.493 3.527) 13.852 6.297 ( -3.527 -4.974 -1.939) 6.398 6.614 ( -2.124 -0.582 5.393) 5.826 6.705 ( -11.005 -9.797 0.357) 14.738 7.180 ( 4.607 11.180 6.481) 13.720 7.810 ( 8.092 -3.420 0.488) 8.799 8.017 ( -6.271 8.583 4.012) 11.362 8.371 ( 3.530 3.323 0.519) 4.876 8.519 ( -5.439 12.961 1.284) 14.114 8.674 ( 5.165 9.354 -4.891) 11.751 9.511 ( 10.233 3.484 1.246) 10.881 9.677 ( -0.222 -0.052 7.723) 7.726 9.938 ( -2.393 -4.311 1.413) 5.130 10.197 ( -6.079 1.907 2.209) 6.744 10.425 ( -0.910 -0.323 -0.403) 1.046 10.661 ( -3.159 -1.055 -1.767) 3.770 10.732 ( 0.345 -5.755 -6.052) 8.359 11.498 ( -4.991 7.978 -11.437) 14.811 11.924 ( 3.667 -2.056 -5.071) 6.588 14.148 ( -1.389 -2.267 -1.108) 2.880 14.349 ( -0.994 -1.801 7.366) 7.647 ======================= Grid point 358 (183/275) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 8.396 4.580 13.245) 16.337 2.173 ( -2.990 12.866 12.458) 18.157 2.530 ( -2.153 -3.831 -12.302) 13.063 2.832 ( 3.915 -2.547 1.007) 4.777 2.923 ( -6.159 -9.736 -8.656) 14.410 3.600 ( -5.604 1.756 7.442) 9.480 4.218 ( 15.655 -0.954 -1.334) 15.740 4.456 ( -6.539 -2.452 17.939) 19.250 4.638 ( -1.330 1.491 0.420) 2.042 4.942 ( 6.324 1.330 0.200) 6.465 5.221 ( -8.807 -9.696 10.722) 16.927 6.002 ( -16.564 -12.296 3.627) 20.945 6.078 ( 7.940 -2.359 6.720) 10.666 6.456 ( 13.504 -8.529 -5.729) 16.968 6.559 ( -7.685 -5.136 0.472) 9.255 6.667 ( -6.632 -7.747 7.579) 12.706 7.162 ( 3.687 7.146 6.759) 10.505 7.773 ( -8.188 13.494 0.479) 15.791 7.942 ( 2.835 -1.908 -3.271) 4.730 8.296 ( -2.599 12.215 3.269) 12.909 8.440 ( 6.820 3.338 -4.376) 8.764 8.590 ( 3.718 15.795 -5.897) 17.265 9.613 ( 4.384 0.270 -3.034) 5.338 9.697 ( 4.053 2.662 4.898) 6.892 9.980 ( 2.453 -0.253 2.964) 3.855 10.117 ( -4.584 -1.259 5.131) 6.995 10.417 ( -2.473 -3.221 1.753) 4.423 10.603 ( -4.648 -0.844 1.417) 4.932 10.840 ( 6.381 -6.016 -4.379) 9.802 11.297 ( -5.588 8.073 -8.904) 13.255 11.965 ( 0.165 -2.790 -4.735) 5.498 14.140 ( -2.668 -3.294 -2.717) 5.035 14.371 ( -0.420 -0.743 6.696) 6.750 ======================= Grid point 359 (184/275) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -1.264 9.969 16.577) 19.385 2.214 ( 14.038 3.071 11.167) 18.199 2.510 ( -1.046 -2.467 -9.610) 9.976 2.842 ( -3.520 -2.772 -10.388) 11.313 2.994 ( 6.817 -4.978 5.953) 10.329 3.496 ( -6.365 1.455 3.480) 7.398 4.316 ( -8.547 -1.573 8.649) 12.261 4.472 ( 3.266 1.811 5.880) 6.966 4.638 ( 7.821 2.051 -7.379) 10.947 5.009 ( 1.960 -0.426 5.157) 5.534 5.288 ( -4.167 -14.943 12.544) 19.950 5.867 ( -16.117 -10.024 4.015) 19.400 6.164 ( 2.520 3.683 11.203) 12.059 6.440 ( -8.071 -3.703 -0.464) 8.892 6.622 ( -9.459 -2.373 6.703) 11.834 6.859 ( 15.044 -12.496 -4.778) 20.132 7.218 ( 7.208 0.648 7.632) 10.518 7.470 ( -8.278 15.989 -5.188) 18.738 7.927 ( -2.279 2.592 1.076) 3.616 8.193 ( 2.254 9.807 -1.598) 10.188 8.453 ( 6.417 12.527 -6.357) 15.444 8.530 ( 5.586 2.384 -3.179) 6.855 9.643 ( 1.398 -0.444 -3.385) 3.689 9.784 ( 6.517 0.383 -0.729) 6.569 10.011 ( 4.291 4.113 -0.995) 6.026 10.106 ( -0.932 -1.997 7.017) 7.355 10.400 ( -2.853 1.623 4.451) 5.530 10.567 ( -5.743 -7.145 6.550) 11.267 11.017 ( 8.364 -4.760 -2.830) 10.031 11.109 ( -3.556 7.743 -7.509) 11.357 11.967 ( -2.030 -3.236 -5.145) 6.408 14.120 ( -3.500 -4.067 -3.098) 6.196 14.387 ( 0.096 0.692 6.555) 6.592 ======================= Grid point 363 (185/275) ======================= q-point: ( 0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 0.186 0.000 1.374) 1.386 2.345 ( 6.128 0.000 10.671) 12.305 2.525 ( -1.908 -0.000 4.676) 5.050 2.769 ( 6.254 0.000 11.065) 12.710 2.934 ( -8.387 -0.000 -3.996) 9.291 3.481 ( 9.549 0.000 2.277) 9.816 4.154 ( -28.281 -0.000 -4.533) 28.642 4.432 ( -5.395 -0.000 7.352) 9.119 4.605 ( -1.234 -0.000 -2.107) 2.442 4.985 ( 0.621 0.000 3.254) 3.312 5.023 ( -1.210 -0.000 -5.411) 5.545 5.420 ( -2.054 -0.000 11.484) 11.666 6.007 ( 3.437 0.000 -2.029) 3.991 6.569 ( -7.857 -0.000 2.285) 8.183 6.591 ( 11.797 0.000 3.319) 12.255 6.773 ( -17.512 -0.000 -1.113) 17.547 7.173 ( 15.411 0.000 1.994) 15.539 7.547 ( 0.334 0.000 6.386) 6.395 7.984 ( 0.195 0.000 16.694) 16.695 8.442 ( 6.545 0.000 -1.905) 6.816 8.524 ( 2.725 0.000 6.529) 7.075 9.008 ( -4.834 -0.000 1.795) 5.156 9.565 ( -1.248 -0.000 -4.174) 4.356 9.575 ( 0.147 0.000 3.591) 3.594 9.887 ( -4.338 -0.000 3.017) 5.284 10.404 ( 2.626 0.000 7.018) 7.493 10.480 ( -0.488 -0.000 -3.038) 3.077 10.682 ( -5.012 -0.000 -9.255) 10.525 10.857 ( -10.423 -0.000 -5.023) 11.570 11.597 ( 15.764 0.000 -2.645) 15.984 11.903 ( 0.637 0.000 -20.553) 20.563 14.169 ( -5.365 -0.000 5.336) 7.566 14.254 ( 1.911 0.000 8.038) 8.262 ======================= Grid point 365 (186/275) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.041 2.372 -0.777) 2.496 2.450 ( 2.850 -0.589 3.276) 4.382 2.553 ( 0.331 -6.238 3.255) 7.044 2.789 ( -6.065 3.930 5.350) 8.991 2.839 ( -3.786 -0.524 3.239) 5.010 3.648 ( 12.305 5.778 11.558) 17.843 3.796 ( -12.191 -1.307 -7.083) 14.160 4.390 ( -6.468 -8.361 3.262) 11.062 4.592 ( -1.572 -0.701 5.813) 6.063 4.963 ( 2.047 6.049 -5.453) 8.398 5.075 ( 3.997 -5.727 0.902) 7.042 5.452 ( 1.455 -1.249 7.645) 7.882 6.048 ( 1.348 -0.893 -1.626) 2.293 6.350 ( -20.555 -3.145 5.006) 21.388 6.614 ( -3.778 -1.629 -4.159) 5.850 6.652 ( -4.663 -0.714 4.609) 6.595 7.403 ( 13.658 5.781 2.212) 14.995 7.617 ( 7.601 1.970 7.684) 10.987 8.014 ( -4.927 -5.931 14.437) 16.367 8.524 ( 1.543 4.946 5.240) 7.369 8.616 ( 9.180 -2.201 -0.057) 9.440 8.917 ( -3.436 5.169 4.513) 7.674 9.528 ( 1.138 1.211 -0.097) 1.665 9.606 ( 1.968 1.823 1.632) 3.140 9.859 ( -2.973 -3.627 2.538) 5.332 10.401 ( -6.033 2.587 -1.155) 6.665 10.459 ( 2.434 0.985 -0.036) 2.626 10.581 ( -6.347 -3.737 -8.436) 11.199 10.730 ( -3.893 -0.431 -5.097) 6.428 11.775 ( 5.416 1.782 -5.196) 7.714 11.823 ( 0.240 0.689 -17.618) 17.633 14.116 ( -3.524 -1.203 4.190) 5.605 14.300 ( 0.635 -0.176 8.706) 8.731 ======================= Grid point 366 (187/275) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -0.397 5.754 0.779) 5.820 2.454 ( -3.894 -1.657 -3.893) 5.750 2.640 ( 0.352 -5.813 1.379) 5.985 2.651 ( -3.751 6.025 5.312) 8.865 2.778 ( -3.043 -1.263 -1.337) 3.556 3.661 ( -2.864 1.949 4.118) 5.381 3.898 ( 16.084 0.328 8.805) 18.339 4.401 ( -5.586 -8.699 0.618) 10.356 4.616 ( -0.486 -3.024 12.804) 13.165 4.909 ( 1.573 6.242 -6.230) 8.958 5.229 ( 3.944 -3.465 4.276) 6.771 5.547 ( 6.544 -6.082 1.584) 9.074 5.985 ( -13.304 -3.536 1.870) 13.893 6.183 ( -4.638 -6.696 0.653) 8.171 6.543 ( -9.229 -3.750 0.461) 9.972 6.600 ( -2.078 -1.302 2.073) 3.211 7.454 ( 4.957 12.815 8.148) 15.975 7.765 ( 7.531 -0.356 3.807) 8.446 8.051 ( -1.627 -4.582 8.090) 9.438 8.461 ( -2.724 4.555 3.926) 6.602 8.783 ( 10.012 1.804 -2.452) 10.464 8.804 ( -1.291 12.445 5.821) 13.799 9.586 ( -1.829 -7.842 4.894) 9.423 9.637 ( 10.112 7.048 1.536) 12.421 9.851 ( -3.418 -2.328 2.145) 4.659 10.248 ( -8.005 2.450 -0.830) 8.413 10.451 ( -1.522 1.404 -4.931) 5.348 10.549 ( -1.248 -7.213 -8.669) 11.346 10.693 ( -0.237 0.518 -1.186) 1.316 11.643 ( -4.922 5.395 -16.713) 18.239 11.883 ( 2.639 -1.735 -3.747) 4.901 14.098 ( -2.535 -2.239 2.054) 3.957 14.328 ( -0.194 -0.177 9.043) 9.047 ======================= Grid point 367 (188/275) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 6.530 5.363 6.723) 10.798 2.384 ( -3.110 2.053 -2.399) 4.432 2.546 ( 0.503 8.130 -2.292) 8.462 2.706 ( -2.459 -7.910 -2.984) 8.804 2.794 ( 3.631 -2.003 -2.300) 4.742 3.610 ( -4.854 0.236 8.614) 9.890 4.189 ( 14.679 -1.737 0.964) 14.813 4.399 ( -2.793 -3.618 11.045) 11.954 4.686 ( 0.755 -0.115 8.844) 8.877 4.865 ( -1.883 -2.977 -0.625) 3.577 5.199 ( -5.867 4.986 4.439) 8.887 5.731 ( -7.725 -12.596 -0.157) 14.776 5.955 ( 9.883 -7.220 1.530) 12.335 6.241 ( -0.005 -10.616 0.424) 10.625 6.471 ( -4.463 -4.509 0.556) 6.369 6.581 ( -2.761 0.145 4.519) 5.298 7.389 ( 2.241 12.905 9.139) 15.971 7.847 ( 0.151 -1.828 3.354) 3.823 8.044 ( -1.489 6.011 -1.951) 6.493 8.425 ( 1.291 0.429 3.942) 4.170 8.644 ( -1.011 15.573 4.584) 16.265 8.852 ( 5.970 8.079 -4.549) 11.028 9.616 ( -1.798 -3.213 1.939) 4.161 9.755 ( 4.475 3.353 4.109) 6.939 9.875 ( 4.730 -5.321 4.970) 8.683 10.119 ( -5.630 0.545 2.441) 6.161 10.382 ( -3.284 0.285 -8.247) 8.881 10.589 ( -1.936 -3.974 -2.995) 5.340 10.726 ( 5.950 -2.134 -2.906) 6.957 11.453 ( -5.335 6.347 -14.089) 16.348 11.907 ( -0.884 -2.487 -3.292) 4.220 14.082 ( -3.004 -2.234 0.356) 3.761 14.354 ( -0.094 -0.578 8.875) 8.894 ======================= Grid point 368 (189/275) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 10.646 4.635 9.430) 14.959 2.289 ( -0.039 6.886 2.688) 7.392 2.513 ( 4.842 3.940 -7.115) 9.465 2.704 ( -5.902 -8.410 -7.459) 12.696 2.931 ( 12.196 -0.973 1.010) 12.276 3.533 ( -7.314 1.061 9.756) 12.239 4.283 ( -2.883 -1.749 -0.351) 3.390 4.508 ( 1.319 1.808 16.128) 16.282 4.677 ( 6.524 1.586 -5.429) 8.634 4.954 ( -1.330 -13.515 10.112) 16.931 5.063 ( -4.522 3.318 1.288) 5.755 5.672 ( -10.367 -7.665 1.302) 12.958 6.133 ( -0.735 -6.409 6.628) 9.249 6.418 ( 0.790 -2.739 -1.864) 3.406 6.510 ( -7.723 -6.037 10.349) 14.254 6.597 ( 15.490 -8.386 -3.349) 17.929 7.329 ( 3.038 9.350 7.995) 12.671 7.791 ( -5.317 11.771 -2.312) 13.122 7.923 ( -2.455 -0.130 -2.886) 3.791 8.433 ( 1.039 10.408 6.307) 12.214 8.548 ( 4.070 2.803 -0.594) 4.977 8.777 ( 1.235 13.567 -4.699) 14.411 9.619 ( -0.996 -2.382 -2.449) 3.559 9.790 ( 2.324 -0.246 2.765) 3.621 10.046 ( 6.597 -1.773 3.828) 7.830 10.086 ( 0.280 0.074 5.981) 5.988 10.318 ( -3.348 -4.763 -6.323) 8.595 10.547 ( -4.264 1.780 5.594) 7.256 10.896 ( 10.156 -5.631 -6.584) 13.349 11.269 ( -4.153 6.973 -11.327) 13.935 11.896 ( -3.167 -3.309 -3.504) 5.767 14.053 ( -3.472 -2.217 0.094) 4.120 14.387 ( 0.446 -0.537 8.010) 8.041 ======================= Grid point 369 (190/275) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.577 11.186 11.775) 16.252 2.358 ( 2.342 0.046 -5.858) 6.309 2.540 ( 2.718 3.772 -2.412) 5.238 2.688 ( -3.273 -6.236 -3.838) 8.020 3.228 ( 19.843 -0.637 4.531) 20.364 3.422 ( -5.663 1.471 10.216) 11.773 4.180 ( -10.379 2.564 8.875) 13.895 4.479 ( -0.724 -2.740 -2.785) 3.974 4.842 ( 12.206 2.943 -9.506) 15.748 5.013 ( -1.504 -2.566 6.023) 6.717 5.122 ( -0.031 -12.947 14.083) 19.130 5.579 ( -9.837 -4.503 1.309) 10.897 6.196 ( -2.395 -7.417 5.782) 9.705 6.302 ( -13.731 4.493 12.773) 19.284 6.468 ( -2.130 -1.674 0.315) 2.727 6.964 ( 12.297 -8.079 -4.360) 15.346 7.360 ( 4.800 2.753 5.469) 7.780 7.498 ( -6.141 13.903 -4.318) 15.800 7.930 ( 1.020 -0.398 2.390) 2.629 8.359 ( 3.570 10.751 1.611) 11.443 8.599 ( -0.736 6.703 -0.467) 6.759 8.632 ( 4.400 5.678 -4.175) 8.308 9.627 ( -0.470 -3.101 -4.551) 5.527 9.819 ( -0.782 -0.047 -1.087) 1.340 10.087 ( 0.467 1.897 -2.223) 2.960 10.172 ( 6.286 -3.479 6.902) 9.962 10.381 ( 3.977 -3.223 -0.406) 5.135 10.470 ( -4.353 1.250 11.742) 12.585 11.059 ( 1.842 0.968 -9.678) 9.899 11.156 ( 5.515 0.907 -5.936) 8.152 11.859 ( -4.758 -4.207 -5.181) 8.196 14.030 ( -2.516 -2.691 1.062) 3.834 14.416 ( 0.313 0.450 6.827) 6.849 ======================= Grid point 374 (191/275) ======================= q-point: ( 0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 2.526 0.000 -7.867) 8.263 2.457 ( -6.495 -0.000 3.747) 7.498 2.520 ( 0.684 0.000 0.077) 0.689 2.704 ( -4.842 -0.000 9.592) 10.745 2.799 ( -1.266 -0.000 -0.196) 1.281 3.704 ( 1.307 0.000 -7.725) 7.834 3.944 ( 14.352 0.000 17.243) 22.435 4.233 ( -6.858 -0.000 2.700) 7.371 4.581 ( -2.127 -0.000 8.927) 9.177 5.059 ( 5.102 0.000 -8.729) 10.110 5.113 ( 6.722 0.000 0.557) 6.745 5.492 ( 1.696 0.000 5.905) 6.144 5.993 ( -19.501 -0.000 3.731) 19.855 6.057 ( -0.720 -0.000 -0.261) 0.766 6.525 ( -9.639 -0.000 5.292) 10.996 6.571 ( -0.120 -0.000 -3.987) 3.988 7.613 ( 7.144 0.000 1.685) 7.340 7.815 ( 10.356 0.000 9.079) 13.772 7.925 ( -5.703 -0.000 14.911) 15.965 8.517 ( -4.499 -0.000 4.234) 6.178 8.794 ( 12.314 0.000 -2.343) 12.535 8.967 ( 1.897 0.000 9.503) 9.690 9.465 ( -4.863 -0.000 0.270) 4.871 9.737 ( 7.136 0.000 3.540) 7.966 9.820 ( -0.133 -0.000 2.110) 2.114 10.293 ( -7.092 -0.000 -1.826) 7.323 10.417 ( -7.404 -0.000 -7.956) 10.868 10.492 ( 1.729 0.000 -9.137) 9.299 10.701 ( 0.824 0.000 -0.711) 1.088 11.707 ( -4.929 -0.000 -20.565) 21.147 11.859 ( 2.229 0.000 -1.450) 2.659 14.070 ( -2.787 -0.000 4.516) 5.307 14.329 ( -0.009 -0.000 8.517) 8.517 ======================= Grid point 376 (192/275) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 5.241 3.864 -6.391) 9.124 2.369 ( -1.505 -1.326 -2.035) 2.857 2.550 ( -1.440 -4.098 0.917) 4.439 2.718 ( 2.401 3.962 6.341) 7.853 2.784 ( 1.883 -0.053 -0.555) 1.964 3.670 ( -1.955 4.778 -0.931) 5.246 4.153 ( 4.476 -1.399 1.515) 4.928 4.273 ( 7.428 -6.647 13.279) 16.604 4.583 ( -3.106 -3.770 12.512) 13.432 5.011 ( -0.688 11.610 -4.559) 12.492 5.230 ( -1.957 -5.656 -1.670) 6.213 5.529 ( -1.733 -4.032 4.091) 6.000 5.854 ( 5.592 -1.412 -0.158) 5.770 6.041 ( -5.886 -6.760 1.689) 9.121 6.426 ( -3.972 -0.261 5.397) 6.706 6.577 ( 1.047 -0.614 -2.580) 2.851 7.636 ( 0.763 7.431 3.975) 8.462 7.851 ( -0.425 3.688 9.823) 10.501 8.033 ( 3.549 -5.885 7.258) 9.995 8.453 ( -2.404 1.687 2.857) 4.097 8.947 ( 6.431 4.867 -2.755) 8.523 8.960 ( 2.486 8.800 8.289) 12.342 9.433 ( -6.338 -10.091 4.523) 12.745 9.812 ( -0.702 2.351 4.574) 5.190 9.850 ( 5.979 -0.324 3.259) 6.817 10.177 ( -2.745 5.643 -1.604) 6.477 10.354 ( -2.778 -5.524 -5.564) 8.318 10.471 ( -0.064 -2.626 -16.630) 16.836 10.737 ( 4.149 1.017 1.507) 4.529 11.555 ( -5.077 2.758 -18.548) 19.427 11.865 ( -1.716 -1.278 -1.017) 2.369 14.046 ( -2.719 -1.016 3.995) 4.938 14.349 ( -0.251 0.009 8.520) 8.524 ======================= Grid point 377 (193/275) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 8.906 1.103 -5.746) 10.656 2.400 ( 4.069 2.019 0.965) 4.643 2.551 ( -3.316 -3.965 -1.164) 5.298 2.674 ( 0.734 7.110 0.782) 7.190 2.924 ( 14.400 -0.145 1.347) 14.463 3.565 ( -5.630 3.480 5.600) 8.670 4.203 ( -1.615 -6.314 -4.537) 7.941 4.532 ( 9.296 -0.229 15.872) 18.396 4.658 ( 1.766 -9.217 13.005) 16.038 4.779 ( -12.510 5.568 -2.651) 13.948 5.176 ( -1.553 4.821 -3.598) 6.213 5.543 ( -3.384 -4.418 2.686) 6.179 5.978 ( -4.373 -6.766 3.253) 8.688 6.205 ( 17.539 -11.122 -2.601) 20.930 6.411 ( -3.806 -2.214 8.023) 9.151 6.591 ( 2.584 1.619 -1.106) 3.243 7.551 ( -0.467 9.450 4.995) 10.699 7.852 ( 1.038 0.729 6.550) 6.672 8.046 ( -4.707 4.592 -3.903) 7.646 8.465 ( 2.531 -1.119 7.077) 7.599 8.798 ( -2.685 14.985 5.388) 16.149 8.994 ( 3.332 6.778 -3.441) 8.300 9.470 ( -6.592 -12.069 5.682) 14.880 9.789 ( 0.583 1.259 4.848) 5.043 9.972 ( 2.153 -4.901 5.930) 7.989 10.129 ( 6.306 5.467 0.492) 8.360 10.291 ( -4.427 0.685 -15.138) 15.787 10.509 ( 0.104 -5.917 -2.006) 6.248 10.830 ( 8.844 -0.224 -3.952) 9.690 11.396 ( -3.792 4.630 -15.412) 16.534 11.833 ( -4.265 -2.451 -1.257) 5.077 14.021 ( -2.927 -0.903 3.512) 4.660 14.374 ( 0.313 -0.468 8.325) 8.344 ======================= Grid point 378 (194/275) ======================= q-point: (-0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 3.667 2.034 -8.529) 9.505 2.415 ( 1.941 6.419 7.292) 9.906 2.529 ( -5.192 -4.424 -1.968) 7.099 2.658 ( 5.504 4.024 -1.821) 7.058 3.245 ( 23.565 1.607 3.973) 23.952 3.456 ( -6.364 1.989 9.365) 11.497 4.215 ( -2.686 -1.690 -0.688) 3.247 4.445 ( -11.475 1.750 2.766) 11.933 4.721 ( -2.334 -11.227 3.212) 11.908 4.924 ( 13.332 -5.420 11.073) 18.158 5.088 ( 0.190 7.593 -2.583) 8.022 5.524 ( -3.932 -1.778 1.613) 4.607 6.005 ( -2.874 -9.130 1.825) 9.744 6.320 ( -14.899 -1.209 12.969) 19.790 6.493 ( 6.861 0.891 -0.523) 6.938 6.752 ( 16.115 -9.063 -2.692) 18.684 7.473 ( 0.597 7.058 4.208) 8.239 7.804 ( -10.240 12.075 -7.838) 17.666 7.908 ( 3.944 0.136 5.653) 6.894 8.531 ( 0.704 1.348 7.541) 7.693 8.643 ( -0.133 7.970 1.404) 8.094 8.904 ( -0.458 12.132 -1.951) 12.296 9.503 ( -4.848 -9.723 2.257) 11.096 9.818 ( 0.658 0.043 1.266) 1.427 10.059 ( -0.110 -5.243 4.102) 6.657 10.129 ( -2.379 1.573 -5.769) 6.436 10.300 ( 11.101 -1.726 -1.039) 11.283 10.531 ( -1.430 0.971 5.075) 5.362 10.994 ( 10.152 -3.443 -8.621) 13.756 11.257 ( -1.796 5.534 -11.601) 12.978 11.775 ( -6.391 -3.633 -2.530) 7.774 13.996 ( -2.109 -0.577 3.846) 4.424 14.412 ( 0.831 -0.605 7.269) 7.341 ======================= Grid point 379 (195/275) ======================= q-point: (-0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 2.458 7.820 5.376) 9.803 2.379 ( -0.025 3.720 -6.154) 7.191 2.487 ( -4.023 -3.910 0.344) 5.621 2.703 ( 3.837 2.548 -0.655) 4.653 3.310 ( -7.513 3.521 10.375) 13.285 3.584 ( 8.632 2.448 5.662) 10.610 4.135 ( 0.861 2.878 2.898) 4.174 4.433 ( 4.583 -6.251 -2.891) 8.273 4.816 ( -3.392 -12.883 1.693) 13.429 4.994 ( -3.220 3.729 4.386) 6.596 5.241 ( 18.198 -2.017 2.472) 18.476 5.462 ( -4.403 1.525 1.824) 5.004 6.000 ( -19.508 0.218 7.886) 21.043 6.136 ( -2.596 -7.942 7.541) 11.255 6.540 ( 4.475 4.463 0.798) 6.371 7.034 ( 4.928 -3.338 -2.961) 6.648 7.403 ( -6.029 7.160 -4.242) 10.276 7.571 ( 2.931 3.279 4.032) 5.967 7.977 ( 2.983 1.407 4.834) 5.852 8.489 ( -0.512 4.651 3.462) 5.820 8.638 ( 0.257 2.214 1.445) 2.657 8.744 ( 0.166 11.801 -1.882) 11.952 9.540 ( -2.002 -6.869 -0.596) 7.180 9.747 ( -8.692 -0.177 -4.391) 9.740 10.037 ( -2.082 -4.465 -3.082) 5.811 10.226 ( 5.325 -2.523 9.892) 11.515 10.477 ( -2.785 4.109 8.507) 9.849 10.546 ( 16.285 -2.245 -3.559) 16.820 11.076 ( 1.079 4.185 -10.627) 11.472 11.231 ( 5.705 -1.879 -5.334) 8.033 11.699 ( -6.795 -5.349 -6.241) 10.665 13.997 ( -0.148 -0.934 4.815) 4.907 14.442 ( 0.208 0.452 5.618) 5.640 ======================= Grid point 385 (196/275) ======================= q-point: (-0.44 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 7.621 0.000 -13.616) 15.604 2.406 ( 4.930 0.000 4.764) 6.856 2.518 ( -0.985 -0.000 0.197) 1.004 2.757 ( -2.389 -0.000 3.158) 3.959 2.916 ( 15.796 0.000 4.992) 16.566 3.647 ( -4.329 -0.000 -3.256) 5.417 4.088 ( -2.277 -0.000 -0.461) 2.323 4.529 ( -4.780 -0.000 12.731) 13.599 4.541 ( 17.224 0.000 13.763) 22.048 4.884 ( -20.125 -0.000 -1.361) 20.171 5.215 ( 6.503 0.000 -7.439) 9.881 5.501 ( -2.772 -0.000 6.419) 6.992 5.894 ( -6.795 -0.000 2.478) 7.233 6.075 ( 20.063 0.000 -2.253) 20.190 6.394 ( -3.814 -0.000 8.949) 9.728 6.606 ( 3.675 0.000 -3.574) 5.126 7.652 ( -2.547 -0.000 -1.565) 2.990 7.903 ( 0.495 0.000 11.880) 11.891 8.050 ( -1.061 -0.000 2.613) 2.820 8.462 ( 1.529 0.000 6.244) 6.428 9.058 ( 4.655 0.000 -7.159) 8.539 9.070 ( -0.553 -0.000 11.239) 11.252 9.224 ( -11.219 -0.000 6.357) 12.895 9.852 ( -0.885 -0.000 3.831) 3.931 9.867 ( 1.351 0.000 7.473) 7.594 10.260 ( -0.259 -0.000 -2.350) 2.364 10.284 ( 4.320 0.000 -7.605) 8.746 10.390 ( 0.337 0.000 -13.963) 13.968 10.838 ( 7.485 0.000 -1.944) 7.734 11.449 ( -3.437 -0.000 -17.861) 18.188 11.803 ( -4.867 -0.000 0.423) 4.886 14.012 ( -2.497 -0.000 5.211) 5.778 14.369 ( 0.078 0.000 8.063) 8.063 ======================= Grid point 387 (197/275) ======================= q-point: (-0.33 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 7.040 0.752 -12.289) 14.182 2.478 ( -0.341 -0.415 5.107) 5.136 2.499 ( 0.110 1.302 2.609) 2.918 2.719 ( -1.644 1.079 3.819) 4.296 3.272 ( 24.202 0.634 5.068) 24.735 3.539 ( -2.744 4.822 -0.728) 5.596 4.103 ( -0.159 -5.864 -2.704) 6.460 4.500 ( -7.688 -1.854 10.328) 13.008 4.554 ( -14.374 -0.194 -3.361) 14.763 4.860 ( 17.026 -0.869 12.387) 21.073 5.250 ( 2.530 5.980 -3.736) 7.491 5.470 ( -4.003 -2.918 3.847) 6.272 5.847 ( -2.702 -4.679 1.335) 5.566 6.312 ( -10.602 0.341 11.179) 15.411 6.422 ( 18.014 -4.327 -2.016) 18.636 6.675 ( 7.228 -0.143 -2.233) 7.567 7.585 ( -3.121 2.472 -2.387) 4.642 7.926 ( -1.632 4.360 4.164) 6.246 7.987 ( -2.125 1.074 0.996) 2.581 8.527 ( 2.719 0.422 9.764) 10.145 8.881 ( -7.771 12.675 1.920) 14.991 9.090 ( 1.855 4.361 -1.360) 4.930 9.222 ( -6.953 -14.526 9.387) 18.640 9.830 ( -0.479 1.098 3.397) 3.602 9.970 ( 3.840 -3.117 5.612) 7.481 10.146 ( -6.060 0.221 -14.433) 15.655 10.337 ( 9.170 4.491 -3.502) 10.794 10.477 ( 3.165 -5.052 2.583) 6.497 10.959 ( 8.926 -0.235 -6.446) 11.013 11.350 ( -1.528 2.640 -15.471) 15.768 11.713 ( -7.712 -1.800 0.171) 7.921 13.994 ( -1.436 0.116 5.943) 6.116 14.399 ( 0.790 -0.427 7.156) 7.212 ======================= Grid point 388 (198/275) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 4.307 2.486 -7.383) 8.902 2.425 ( -4.751 0.610 2.340) 5.331 2.506 ( 0.132 3.460 7.180) 7.971 2.724 ( 0.984 -1.097 1.614) 2.186 3.379 ( -4.316 3.261 4.759) 7.205 3.673 ( 13.676 5.355 2.972) 14.985 4.158 ( -0.392 -3.167 -2.765) 4.222 4.337 ( 2.568 -0.595 -3.175) 4.127 4.558 ( -3.343 -10.004 5.976) 12.124 5.089 ( 0.613 4.944 11.013) 12.088 5.243 ( 13.952 2.274 -1.540) 14.220 5.453 ( -4.266 -3.383 4.016) 6.766 5.900 ( -0.110 -6.762 -0.422) 6.776 6.103 ( -15.289 2.736 10.658) 18.837 6.615 ( 6.558 2.018 -1.794) 7.092 6.902 ( 13.808 -6.740 -0.413) 15.370 7.479 ( -6.663 2.043 -2.668) 7.463 7.737 ( -7.849 7.846 -3.725) 11.707 8.037 ( 5.406 3.583 7.238) 9.718 8.546 ( -3.463 1.831 8.085) 8.984 8.680 ( -4.276 4.108 0.553) 5.955 9.024 ( 0.348 10.674 0.370) 10.686 9.315 ( -3.104 -13.513 7.481) 15.755 9.770 ( -8.644 2.439 -5.186) 10.372 9.933 ( -4.366 -4.549 -6.708) 9.205 10.213 ( 9.970 0.131 5.212) 11.251 10.471 ( 9.028 -0.971 4.835) 10.287 10.550 ( 2.795 -0.474 -0.319) 2.853 11.089 ( 8.046 -1.562 -8.682) 11.940 11.264 ( 0.353 3.871 -11.027) 11.692 11.600 ( -9.494 -3.875 -2.501) 10.556 13.998 ( 0.402 0.730 6.628) 6.680 14.438 ( 0.996 -0.593 5.260) 5.387 ======================= Grid point 389 (199/275) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -6.316 -0.166 -1.081) 6.410 2.433 ( -0.451 -0.430 1.544) 1.665 2.483 ( 3.637 7.230 6.567) 10.423 2.763 ( 1.990 -0.285 2.305) 3.059 3.290 ( -3.376 5.109 7.532) 9.707 3.599 ( -8.854 6.404 -5.251) 12.123 4.203 ( 3.022 -2.594 1.806) 4.373 4.521 ( 5.985 -4.859 -1.923) 7.945 4.689 ( 8.151 -6.698 3.541) 11.128 4.974 ( -6.684 4.139 8.692) 11.720 5.394 ( -6.382 -2.276 4.868) 8.344 5.566 ( 19.487 -2.076 3.685) 19.940 5.745 ( -13.351 7.908 4.598) 16.184 6.096 ( 5.664 -7.249 1.700) 9.355 6.664 ( 4.811 4.262 -0.559) 6.451 7.027 ( -5.164 3.692 -2.669) 6.887 7.347 ( -4.738 2.184 -3.550) 6.310 7.632 ( 2.616 -2.809 3.378) 5.113 8.065 ( 0.673 5.579 6.002) 8.222 8.452 ( -7.147 -0.731 4.310) 8.378 8.645 ( -1.041 -1.144 0.128) 1.552 8.893 ( 0.792 14.045 -0.514) 14.076 9.440 ( 0.080 -10.403 5.712) 11.868 9.530 ( -14.266 0.472 -5.896) 15.444 9.957 ( -0.676 -6.280 -0.847) 6.373 10.342 ( 6.005 2.450 4.613) 7.959 10.499 ( -2.830 4.017 7.548) 9.006 10.733 ( 11.703 -5.337 -5.315) 13.917 11.140 ( 2.996 4.292 -5.287) 7.440 11.266 ( 3.529 -0.807 -5.407) 6.507 11.513 ( -4.416 -7.038 -9.123) 12.339 14.029 ( 1.945 0.763 7.122) 7.422 14.462 ( 0.086 0.450 2.963) 2.998 ======================= Grid point 396 (200/275) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 3.091 0.000 -7.272) 7.902 2.469 ( -4.484 -0.000 8.789) 9.867 2.515 ( 2.217 0.000 1.041) 2.449 2.700 ( -1.514 -0.000 6.348) 6.526 3.425 ( -2.530 -0.000 -0.678) 2.620 3.757 ( 16.045 0.000 0.876) 16.069 4.078 ( 1.859 0.000 -2.167) 2.855 4.358 ( -0.201 -0.000 -8.352) 8.355 4.436 ( -4.317 -0.000 9.782) 10.692 5.167 ( 15.482 0.000 15.282) 21.754 5.298 ( -2.498 -0.000 2.505) 3.538 5.368 ( -4.349 -0.000 -0.523) 4.380 5.818 ( 1.383 0.000 -0.523) 1.479 6.144 ( -12.964 -0.000 8.807) 15.672 6.628 ( 9.914 0.000 -3.218) 10.423 6.827 ( 13.122 0.000 0.403) 13.128 7.500 ( -8.027 -0.000 -4.581) 9.242 7.829 ( -8.325 -0.000 -3.188) 8.914 8.074 ( 5.611 0.000 6.959) 8.940 8.591 ( 0.415 0.000 9.513) 9.522 8.757 ( -15.455 -0.000 -0.001) 15.455 9.099 ( 0.969 0.000 8.527) 8.582 9.150 ( 0.663 0.000 2.904) 2.978 9.821 ( -1.566 -0.000 3.208) 3.570 9.863 ( -12.564 -0.000 -15.896) 20.262 10.211 ( 13.567 0.000 5.303) 14.566 10.489 ( 7.676 0.000 -7.425) 10.680 10.512 ( 2.492 0.000 10.262) 10.560 11.071 ( 7.771 0.000 -7.571) 10.849 11.317 ( 0.982 0.000 -14.726) 14.759 11.551 ( -11.143 -0.000 0.293) 11.147 14.010 ( 0.806 0.000 7.460) 7.504 14.429 ( 1.130 0.000 4.978) 5.105 ======================= Grid point 397 (201/275) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -8.150 2.888 6.000) 10.524 2.424 ( -5.589 -2.082 1.274) 6.098 2.592 ( 6.068 2.461 5.341) 8.450 2.731 ( 2.737 -1.292 4.862) 5.727 3.372 ( -1.507 2.274 -1.234) 2.994 3.734 ( -8.114 4.935 -8.889) 13.008 4.133 ( 2.492 -3.288 -1.415) 4.361 4.419 ( -2.128 -3.272 4.552) 5.996 4.607 ( 22.908 -1.524 1.383) 23.000 5.115 ( -9.910 8.493 11.459) 17.368 5.295 ( -10.914 -7.111 9.648) 16.210 5.541 ( 20.956 -0.042 3.434) 21.236 5.819 ( -4.472 -0.891 2.119) 5.028 6.038 ( 3.044 1.244 -0.580) 3.339 6.726 ( 5.680 1.568 -3.653) 6.933 7.056 ( 10.253 -0.537 1.715) 10.410 7.319 ( -11.018 -1.520 -5.240) 12.295 7.676 ( -7.465 3.094 -0.939) 8.135 8.159 ( 3.304 2.023 4.785) 6.157 8.477 ( -12.326 4.062 4.022) 13.587 8.610 ( -4.655 -2.574 3.386) 6.306 9.131 ( 1.128 6.414 0.364) 6.523 9.207 ( 1.269 -7.902 9.330) 12.293 9.580 ( -13.788 2.609 -11.652) 18.239 9.829 ( -2.078 -4.626 1.623) 5.325 10.424 ( 10.512 4.527 3.089) 11.854 10.556 ( -0.518 1.354 10.601) 10.700 10.606 ( 7.596 -5.761 -5.015) 10.773 11.167 ( 5.097 -0.696 -6.080) 7.964 11.300 ( 2.141 3.601 -8.608) 9.574 11.392 ( -7.074 -4.475 -5.834) 10.203 14.054 ( 2.426 1.019 8.259) 8.668 14.459 ( 0.916 -0.368 1.727) 1.990 ======================= Grid point 398 (202/275) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -9.832 -0.119 3.709) 10.509 2.338 ( -9.370 -3.806 6.183) 11.853 2.655 ( 4.994 5.126 5.790) 9.205 2.846 ( 8.427 1.033 8.910) 12.307 3.299 ( -5.156 3.641 -2.394) 6.751 3.523 ( -3.670 6.413 -10.978) 13.233 4.195 ( -1.200 -2.943 2.820) 4.249 4.434 ( -1.669 -5.582 -4.909) 7.619 4.876 ( -4.961 5.552 17.182) 18.726 4.941 ( 3.701 0.314 0.027) 3.714 5.202 ( -9.253 -4.566 18.125) 20.857 5.709 ( 2.544 6.517 -1.238) 7.104 5.969 ( 23.879 -1.297 2.200) 24.015 6.171 ( 10.174 -2.650 -1.157) 10.577 6.775 ( 4.653 2.792 -3.583) 6.503 6.939 ( -11.912 8.197 -3.790) 14.948 7.296 ( -3.157 1.185 -0.243) 3.381 7.609 ( 0.700 -8.295 2.918) 8.822 8.126 ( -3.784 6.911 3.796) 8.746 8.295 ( -10.246 -2.693 3.423) 11.133 8.573 ( -4.640 -3.965 -0.252) 6.108 9.008 ( -5.137 10.033 -8.040) 13.845 9.275 ( -6.471 -4.229 5.020) 9.217 9.432 ( 1.379 -2.327 4.751) 5.467 9.864 ( -2.008 -7.336 1.127) 7.689 10.471 ( 2.801 5.078 0.115) 5.800 10.513 ( -3.168 4.619 8.475) 10.159 10.769 ( 2.789 -5.890 -3.132) 7.231 11.117 ( -7.396 1.838 -3.198) 8.265 11.314 ( 2.351 -6.652 -4.301) 8.263 11.476 ( 13.203 -0.241 -10.476) 16.855 14.103 ( 2.657 1.806 8.149) 8.760 14.469 ( 0.102 0.264 -1.355) 1.384 ======================= Grid point 406 (203/275) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -11.238 -0.000 -1.265) 11.309 2.252 ( -11.687 -0.000 15.159) 19.141 2.712 ( 3.331 0.000 6.223) 7.059 2.858 ( 12.050 0.000 8.563) 14.783 3.335 ( -4.926 -0.000 -5.710) 7.541 3.608 ( -4.313 -0.000 -13.906) 14.560 4.154 ( 0.977 0.000 1.916) 2.150 4.368 ( -1.891 -0.000 -1.667) 2.521 4.934 ( 12.104 0.000 -0.035) 12.104 4.970 ( -19.274 -0.000 22.973) 29.987 5.135 ( -1.856 -0.000 12.076) 12.218 5.786 ( 1.097 0.000 1.526) 1.880 5.928 ( 24.845 0.000 4.124) 25.185 6.162 ( 11.127 0.000 -4.352) 11.948 6.809 ( 5.207 0.000 -4.890) 7.143 7.067 ( -14.482 -0.000 -6.866) 16.027 7.245 ( 9.428 0.000 4.058) 10.264 7.545 ( -10.419 -0.000 0.261) 10.422 8.179 ( -4.592 -0.000 -0.277) 4.600 8.309 ( -9.481 -0.000 3.868) 10.240 8.509 ( -7.549 -0.000 3.703) 8.409 9.112 ( -10.590 -0.000 -7.320) 12.874 9.225 ( 3.356 0.000 3.939) 5.175 9.423 ( -1.832 -0.000 1.841) 2.597 9.769 ( -3.245 -0.000 3.452) 4.738 10.567 ( -2.664 -0.000 9.722) 10.080 10.588 ( 0.163 0.000 -4.767) 4.770 10.639 ( 7.047 0.000 3.416) 7.831 11.162 ( -10.248 -0.000 -4.103) 11.039 11.204 ( 1.959 0.000 -4.629) 5.026 11.482 ( 14.907 0.000 -9.570) 17.715 14.129 ( 2.823 0.000 9.098) 9.526 14.468 ( 0.717 0.000 -3.060) 3.143 ======================= Grid point 407 (204/275) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -12.274 0.562 3.720) 12.838 2.138 ( -11.660 -4.595 14.967) 19.522 2.758 ( 2.114 1.725 6.068) 6.653 3.093 ( 11.770 4.096 10.828) 16.509 3.179 ( -7.273 0.609 -9.406) 11.905 3.555 ( 3.167 2.753 -10.512) 11.319 4.074 ( -13.271 -0.364 3.092) 13.631 4.404 ( 6.637 -3.250 -6.221) 9.661 4.778 ( -11.666 0.211 26.214) 28.693 4.911 ( -6.350 1.068 -4.963) 8.130 5.285 ( 8.259 0.875 19.369) 21.074 5.839 ( 6.532 3.199 2.227) 7.607 6.334 ( 21.347 -1.502 4.097) 21.789 6.344 ( 12.589 0.449 -3.450) 13.061 6.776 ( -10.361 7.039 -7.403) 14.550 6.897 ( 4.682 0.261 -4.611) 6.577 7.262 ( -8.069 7.764 1.428) 11.288 7.492 ( -1.558 -13.636 4.036) 14.306 8.068 ( -6.488 -2.142 -2.534) 7.287 8.168 ( -8.039 6.067 4.970) 11.231 8.412 ( -8.569 -6.099 0.417) 10.526 8.829 ( -16.496 2.280 -13.165) 21.228 9.298 ( 4.722 0.994 5.163) 7.067 9.484 ( 4.442 -0.543 7.220) 8.495 9.753 ( -3.258 -5.768 2.871) 7.220 10.489 ( -5.129 4.822 4.297) 8.248 10.556 ( -1.916 1.149 3.199) 3.902 10.737 ( 1.353 -2.125 2.030) 3.235 11.009 ( -5.532 1.643 -7.061) 9.119 11.242 ( -0.257 -5.966 -2.883) 6.631 11.706 ( 15.143 0.700 -7.308) 16.829 14.185 ( 2.020 1.561 8.842) 9.203 14.463 ( 0.336 0.068 -7.075) 7.083 ======================= Grid point 416 (205/275) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -10.989 -0.000 6.923) 12.988 1.992 ( -9.742 -0.000 20.827) 22.993 2.809 ( 1.002 0.000 7.371) 7.439 2.986 ( -9.580 -0.000 -12.553) 15.791 3.355 ( 6.413 0.000 11.392) 13.072 3.589 ( 3.014 0.000 -11.255) 11.651 3.869 ( -7.220 -0.000 1.557) 7.386 4.525 ( 11.105 0.000 -3.379) 11.607 4.704 ( -7.035 -0.000 25.533) 26.484 4.800 ( -5.973 -0.000 -6.978) 9.186 5.453 ( 4.238 0.000 22.267) 22.667 5.980 ( 6.603 0.000 4.487) 7.983 6.483 ( 2.278 0.000 -1.115) 2.536 6.600 ( 10.160 0.000 4.663) 11.179 6.708 ( 3.158 0.000 -10.312) 10.785 6.990 ( 8.012 0.000 -3.823) 8.877 7.135 ( -15.076 -0.000 0.377) 15.081 7.371 ( -3.070 -0.000 5.069) 5.926 7.959 ( -4.182 -0.000 -3.320) 5.340 8.131 ( -3.058 -0.000 1.969) 3.637 8.204 ( -10.747 -0.000 2.231) 10.977 8.548 ( -14.320 -0.000 -14.154) 20.134 9.399 ( 5.729 0.000 2.789) 6.372 9.588 ( 5.791 0.000 5.830) 8.217 9.676 ( -2.641 -0.000 3.217) 4.163 10.448 ( -6.953 -0.000 7.892) 10.518 10.486 ( -4.306 -0.000 0.130) 4.308 10.787 ( 3.147 0.000 5.345) 6.202 10.938 ( -2.141 -0.000 -9.271) 9.515 11.174 ( -3.609 -0.000 0.351) 3.626 11.899 ( 10.498 0.000 -6.455) 12.324 14.243 ( 0.989 0.000 9.408) 9.459 14.441 ( 0.080 0.000 -12.043) 12.044 ======================= Grid point 417 (206/275) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 10.247 0.000 11.277) 15.237 2.305 ( -4.141 -0.000 17.691) 18.169 2.539 ( -2.881 -0.000 -3.279) 4.365 2.777 ( -6.358 -0.000 -6.584) 9.153 3.268 ( -2.989 -0.000 6.456) 7.115 3.311 ( 0.157 0.000 -13.609) 13.610 4.182 ( 8.034 0.000 -1.431) 8.160 4.477 ( -1.286 -0.000 -4.971) 5.135 4.817 ( -6.067 -0.000 7.333) 9.518 5.075 ( 4.978 0.000 9.153) 10.419 5.959 ( -1.391 -0.000 -3.554) 3.816 5.959 ( -0.523 -0.000 10.618) 10.631 6.520 ( -15.014 -0.000 7.005) 16.568 6.710 ( -0.871 -0.000 0.578) 1.046 6.754 ( -2.969 -0.000 3.652) 4.706 6.890 ( 13.273 0.000 -5.657) 14.429 7.192 ( 1.566 0.000 1.036) 1.878 7.249 ( -7.274 -0.000 5.188) 8.934 7.791 ( -2.359 -0.000 -0.287) 2.376 7.943 ( -4.194 -0.000 -3.017) 5.166 8.142 ( 5.896 0.000 -4.006) 7.128 8.226 ( 6.279 0.000 -2.635) 6.810 9.579 ( 2.006 0.000 0.183) 2.014 9.726 ( 2.897 0.000 0.675) 2.974 9.741 ( 2.645 0.000 -3.284) 4.217 10.409 ( -2.117 -0.000 1.924) 2.861 10.441 ( -5.433 -0.000 8.689) 10.248 10.707 ( 0.276 0.000 -5.862) 5.869 10.890 ( 2.785 0.000 -5.252) 5.945 11.258 ( -3.703 -0.000 13.169) 13.679 11.941 ( 1.216 0.000 -4.427) 4.591 14.098 ( -0.828 -0.000 -9.163) 9.200 14.440 ( 0.454 0.000 4.156) 4.180 ======================= Grid point 418 (207/275) ======================= q-point: ( 0.11 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -0.175 2.327 8.114) 8.443 2.341 ( 0.767 -3.135 9.010) 9.571 2.483 ( -2.037 2.138 1.278) 3.218 2.734 ( 3.699 0.780 -0.778) 3.859 3.185 ( 5.492 9.259 -5.656) 12.161 3.395 ( 0.881 -9.517 2.161) 9.799 4.274 ( 4.479 0.811 -7.401) 8.689 4.480 ( 3.681 -0.319 -3.496) 5.086 4.631 ( -17.548 -1.567 7.638) 19.203 5.189 ( 4.573 0.627 7.132) 8.496 5.787 ( -0.068 17.091 3.920) 17.535 6.122 ( -2.411 -10.518 4.352) 11.635 6.202 ( -15.203 4.806 5.567) 16.889 6.608 ( -6.572 6.344 2.937) 9.595 6.692 ( -8.425 -2.588 5.848) 10.577 7.070 ( 12.848 10.563 -3.819) 17.066 7.113 ( -9.344 -7.422 -1.825) 12.072 7.346 ( 8.577 -5.359 7.277) 12.459 7.800 ( -3.055 -8.610 0.738) 9.166 7.953 ( 3.025 -4.019 -0.825) 5.097 8.253 ( 10.974 3.187 -5.787) 12.809 8.362 ( 8.164 -4.787 -4.783) 10.604 9.597 ( -0.727 -1.291 -1.396) 2.035 9.734 ( 3.788 3.022 -4.285) 6.469 9.857 ( 6.020 -5.152 -2.416) 8.284 10.335 ( -1.946 5.168 6.509) 8.536 10.443 ( -2.823 -4.576 6.776) 8.650 10.698 ( 1.201 0.788 -4.404) 4.632 10.923 ( 1.564 -1.318 -3.199) 3.797 11.207 ( -3.447 4.295 10.226) 11.615 11.917 ( -2.214 0.900 -4.367) 4.978 14.063 ( 0.056 1.108 -6.210) 6.308 14.461 ( 0.188 -0.952 3.197) 3.341 ======================= Grid point 419 (208/275) ======================= q-point: ( 0.22 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -1.331 1.199 -2.587) 3.147 2.372 ( -1.777 -1.828 13.724) 13.958 2.444 ( -0.198 0.944 -0.342) 1.023 2.769 ( 1.034 3.421 1.752) 3.980 3.247 ( 5.457 -2.627 -4.243) 7.395 3.580 ( 14.295 -0.841 9.213) 17.027 4.195 ( -10.434 2.799 -7.455) 13.125 4.446 ( -5.669 -1.575 -0.271) 5.890 4.591 ( 7.845 -3.825 -3.885) 9.554 5.233 ( 0.433 1.985 6.248) 6.570 5.616 ( -2.347 14.188 6.629) 15.835 5.809 ( -15.949 10.059 4.807) 19.459 6.311 ( 3.097 -6.027 1.158) 6.874 6.425 ( -10.133 1.505 5.472) 11.614 6.574 ( -11.439 -1.924 7.488) 13.806 6.991 ( -7.510 -3.154 -3.330) 8.800 7.169 ( 8.716 5.949 -2.618) 10.873 7.586 ( 11.104 -3.040 9.239) 14.761 7.865 ( -2.021 -10.765 -0.175) 10.954 8.092 ( 5.522 -7.784 0.282) 9.548 8.367 ( 7.589 0.149 -5.880) 9.601 8.543 ( 9.641 -3.025 -3.630) 10.737 9.580 ( -0.571 0.791 -3.508) 3.641 9.740 ( -0.503 -0.476 -4.390) 4.444 10.008 ( 6.814 -3.251 -3.224) 8.210 10.310 ( 3.190 2.850 5.995) 7.365 10.469 ( -0.380 -1.592 6.541) 6.743 10.712 ( 1.596 -0.506 -0.266) 1.695 10.917 ( -5.325 -1.103 4.086) 6.802 11.151 ( 3.616 6.396 -1.093) 7.429 11.825 ( -6.065 1.676 -4.494) 7.732 14.049 ( 1.652 1.636 -2.514) 3.424 14.480 ( -0.569 -1.520 2.263) 2.785 ======================= Grid point 420 (209/275) ======================= q-point: ( 0.33 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -1.127 -1.208 -4.409) 4.708 2.399 ( 0.431 0.254 11.346) 11.357 2.498 ( 5.446 -1.838 2.931) 6.453 2.734 ( -0.148 3.244 0.307) 3.262 3.324 ( -3.092 -8.609 3.370) 9.749 3.715 ( -10.456 1.368 4.585) 11.498 4.095 ( 14.276 3.021 -5.078) 15.451 4.425 ( 1.917 0.585 -5.494) 5.848 4.759 ( 7.937 -4.181 -4.361) 9.975 5.167 ( -5.033 7.981 2.977) 9.894 5.484 ( 0.204 8.142 6.597) 10.481 5.533 ( -9.553 2.769 4.893) 11.085 6.161 ( -15.850 2.672 5.327) 16.934 6.417 ( -1.727 5.321 0.910) 5.668 6.506 ( -1.242 -9.444 8.766) 12.945 6.912 ( -6.508 -4.401 -4.472) 9.040 7.224 ( 4.758 3.146 -1.348) 5.861 7.783 ( 8.059 0.551 9.766) 12.674 7.952 ( 0.833 -6.490 -0.820) 6.595 8.276 ( 4.128 -12.162 -0.240) 12.846 8.466 ( 4.416 -2.520 -2.356) 5.604 8.686 ( 6.734 0.253 -1.583) 6.923 9.544 ( 0.005 3.082 -5.020) 5.890 9.701 ( -4.263 -1.379 -1.256) 4.653 10.083 ( 1.538 0.192 -1.029) 1.861 10.395 ( 3.138 -1.871 0.966) 3.779 10.515 ( 6.296 4.198 5.134) 9.144 10.750 ( -0.801 -1.608 9.475) 9.644 10.843 ( -0.832 -0.277 -0.452) 0.987 11.178 ( 6.262 3.383 -6.569) 9.685 11.663 ( -9.418 2.491 -5.627) 11.250 14.068 ( 3.181 1.627 0.675) 3.636 14.486 ( -1.558 -1.770 1.385) 2.735 ======================= Grid point 421 (210/275) ======================= q-point: (-0.56 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -1.547 -2.143 -3.005) 4.002 2.467 ( 3.118 -2.710 6.476) 7.682 2.606 ( 4.046 3.705 4.808) 7.295 2.752 ( 5.807 -2.939 3.077) 7.199 3.323 ( -12.571 -6.672 2.791) 14.503 3.475 ( -10.254 -0.792 0.040) 10.285 4.282 ( 9.138 5.532 -2.299) 10.926 4.482 ( 6.124 -1.045 -5.244) 8.130 4.838 ( -0.020 3.089 -1.647) 3.501 5.000 ( -4.964 1.413 1.696) 5.433 5.388 ( -2.859 -0.322 -0.293) 2.892 5.612 ( 12.186 -1.879 4.731) 13.207 5.881 ( -17.187 1.368 7.755) 18.906 6.356 ( 3.543 8.140 2.825) 9.316 6.622 ( 0.939 -7.374 5.215) 9.081 6.837 ( -6.106 -2.366 -4.297) 7.832 7.243 ( -0.616 -0.644 -0.003) 0.891 7.888 ( 4.394 1.540 5.998) 7.593 8.004 ( 0.243 -1.405 0.040) 1.426 8.463 ( 2.193 -10.819 -0.871) 11.073 8.529 ( -0.561 -2.489 2.100) 3.305 8.744 ( 3.376 2.196 -0.815) 4.109 9.477 ( -2.597 4.006 -3.100) 5.692 9.648 ( -2.968 -0.625 2.398) 3.867 10.073 ( -0.047 3.003 0.172) 3.008 10.418 ( -0.556 -0.364 1.251) 1.416 10.534 ( -0.960 1.708 1.808) 2.666 10.781 ( -0.266 -2.052 7.760) 8.031 10.978 ( 13.812 -1.269 -2.133) 14.033 11.208 ( 1.703 0.852 -4.426) 4.818 11.461 ( -7.514 4.408 -8.795) 12.379 14.112 ( 3.197 0.864 2.184) 3.967 14.476 ( -2.026 -1.403 0.590) 2.534 ======================= Grid point 422 (211/275) ======================= q-point: (-0.44 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -3.690 -0.363 -1.513) 4.004 2.569 ( -1.504 3.294 3.547) 5.069 2.581 ( 2.172 -5.127 3.333) 6.489 2.990 ( 13.087 -4.860 7.837) 16.010 3.097 ( -15.222 -3.402 -5.432) 16.516 3.432 ( -1.132 0.931 4.959) 5.171 4.307 ( 2.734 4.579 -0.345) 5.344 4.421 ( -10.103 2.980 -5.618) 11.938 4.829 ( 0.255 -2.340 -2.151) 3.189 4.990 ( -0.850 -5.274 4.838) 7.208 5.442 ( 3.736 -8.592 -2.794) 9.777 5.630 ( -9.470 3.736 9.350) 13.822 5.925 ( 18.024 -2.327 -1.028) 18.203 6.380 ( 7.899 5.584 3.770) 10.382 6.717 ( 1.300 -4.838 3.598) 6.167 6.743 ( -4.562 1.701 -3.675) 6.100 7.217 ( -5.785 -3.929 1.238) 7.102 7.937 ( 6.779 8.460 3.208) 11.306 7.992 ( -6.653 -6.442 0.788) 9.294 8.453 ( -5.623 5.564 2.603) 8.328 8.536 ( -4.884 -3.898 -2.133) 6.603 8.770 ( 0.408 -0.088 -1.699) 1.749 9.380 ( -4.163 1.200 2.514) 5.009 9.640 ( 1.661 2.629 4.051) 5.107 10.027 ( -0.756 4.476 1.191) 4.693 10.419 ( -0.957 -1.653 0.669) 2.023 10.520 ( -1.327 -2.848 1.823) 3.633 10.806 ( -1.794 -2.198 4.601) 5.406 11.045 ( -9.422 -0.858 -1.624) 9.599 11.303 ( 9.776 1.898 -9.481) 13.750 11.352 ( 8.464 3.718 -3.921) 10.042 14.154 ( 1.276 -0.826 1.018) 1.829 14.457 ( -1.376 -0.005 0.478) 1.457 ======================= Grid point 423 (212/275) ======================= q-point: (-0.33 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -5.241 1.556 1.247) 5.607 2.477 ( -6.200 2.503 8.969) 11.187 2.716 ( 4.221 -7.208 -1.264) 8.448 2.867 ( -12.193 -3.146 -11.452) 17.021 3.292 ( 4.966 -4.167 14.730) 16.093 3.444 ( 10.362 3.377 0.675) 10.919 4.112 ( -18.437 0.369 -0.548) 18.449 4.377 ( 8.175 3.915 -5.245) 10.473 4.772 ( -7.725 -1.615 -4.153) 8.918 5.087 ( -1.116 -6.578 10.815) 12.707 5.559 ( 1.583 -1.194 7.726) 7.976 5.654 ( 9.884 -9.296 -2.387) 13.777 6.182 ( 7.082 -7.428 -2.878) 10.659 6.531 ( 15.537 4.123 3.061) 16.363 6.635 ( -0.815 7.895 -2.610) 8.355 6.801 ( 2.165 -4.992 1.629) 5.680 7.152 ( -9.092 -5.588 1.926) 10.845 7.887 ( -1.035 11.314 2.337) 11.599 7.987 ( -2.310 -5.245 0.721) 5.777 8.262 ( -9.014 6.989 2.394) 11.655 8.428 ( -7.729 2.124 -4.572) 9.228 8.677 ( -9.342 3.417 -1.562) 10.069 9.378 ( 1.832 -1.889 4.454) 5.173 9.648 ( 2.383 4.517 3.404) 6.137 9.958 ( -1.971 5.775 3.053) 6.824 10.415 ( -3.290 -3.668 0.267) 4.934 10.574 ( 0.965 -5.334 3.875) 6.663 10.798 ( -2.820 -2.275 0.250) 3.632 10.876 ( -9.429 0.037 -0.174) 9.431 11.281 ( 2.379 4.513 -8.587) 9.988 11.590 ( 14.858 -0.466 -1.969) 14.995 14.172 ( -1.072 -2.604 -2.998) 4.113 14.438 ( -0.115 1.790 1.848) 2.575 ======================= Grid point 424 (213/275) ======================= q-point: (-0.22 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -3.026 1.696 5.930) 6.870 2.387 ( -6.314 0.878 13.544) 14.969 2.701 ( -8.108 -2.302 -9.867) 12.977 2.849 ( 2.867 -6.018 -1.213) 6.775 3.283 ( -6.252 -3.525 -3.329) 7.911 3.649 ( 3.325 4.348 7.602) 9.367 3.876 ( -2.311 -0.780 0.085) 2.441 4.498 ( 12.637 2.110 -3.124) 13.188 4.643 ( -7.682 -1.244 -5.200) 9.360 5.113 ( -4.689 -1.480 14.777) 15.574 5.685 ( 4.062 -6.416 6.768) 10.172 5.934 ( 11.141 -9.602 -0.078) 14.708 6.318 ( -0.460 -11.278 -4.948) 12.324 6.560 ( 5.183 9.118 -0.926) 10.529 6.712 ( 7.509 1.058 2.815) 8.088 6.925 ( 3.705 -6.452 1.236) 7.542 7.067 ( -5.560 -1.773 0.640) 5.871 7.695 ( -7.429 12.606 2.574) 14.857 7.984 ( 1.551 6.455 -3.260) 7.396 8.093 ( -8.031 -1.900 4.966) 9.631 8.255 ( -7.678 2.402 -7.304) 10.866 8.434 ( -12.868 6.362 0.982) 14.388 9.462 ( 4.510 -0.981 2.952) 5.479 9.641 ( 0.945 2.623 1.817) 3.328 9.863 ( -2.107 6.905 3.353) 7.960 10.404 ( -3.885 -5.068 0.977) 6.460 10.625 ( -2.343 -0.537 4.535) 5.132 10.751 ( -4.222 -2.125 -5.614) 7.338 10.810 ( 0.290 -1.785 2.289) 2.918 11.257 ( 0.405 1.368 -0.788) 1.630 11.787 ( 9.775 -0.702 -3.139) 10.290 14.162 ( -1.864 -2.872 -7.679) 8.407 14.427 ( 0.504 2.308 3.809) 4.482 ======================= Grid point 425 (214/275) ======================= q-point: (-0.11 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 3.320 0.736 10.713) 11.240 2.333 ( -5.163 0.181 16.981) 17.750 2.599 ( -4.747 -2.102 -7.233) 8.903 2.887 ( -3.735 -1.047 -1.619) 4.203 3.232 ( -6.069 -11.181 -8.348) 15.217 3.476 ( -5.640 10.882 -1.862) 12.398 4.031 ( 10.473 -0.156 4.343) 11.339 4.536 ( -5.116 -1.487 -5.900) 7.949 4.710 ( 14.548 1.124 0.261) 14.594 5.071 ( -6.191 -0.193 15.179) 16.395 5.823 ( -0.707 -11.494 5.527) 12.773 6.082 ( 0.339 4.735 3.551) 5.928 6.460 ( 11.340 -5.903 -5.594) 13.954 6.623 ( 2.086 -6.324 1.402) 6.805 6.788 ( 3.076 0.346 0.926) 3.231 6.889 ( -13.587 -5.255 3.554) 14.996 7.121 ( 8.327 2.935 0.390) 8.838 7.438 ( -8.698 10.448 2.429) 13.810 7.881 ( -1.186 8.957 -2.950) 9.505 8.066 ( -5.463 -4.572 1.867) 7.364 8.101 ( -5.574 0.046 -7.552) 9.386 8.219 ( -2.325 6.546 1.647) 7.139 9.538 ( 4.562 2.082 1.517) 5.239 9.653 ( 0.183 -3.831 0.547) 3.874 9.779 ( 0.274 6.823 1.250) 6.942 10.406 ( -3.341 -5.246 2.062) 6.552 10.544 ( -5.207 4.009 5.568) 8.614 10.719 ( -1.157 -1.710 -5.709) 6.071 10.857 ( 2.674 -0.769 -3.150) 4.203 11.260 ( -1.787 -1.332 8.742) 9.022 11.901 ( 4.947 -0.611 -4.031) 6.411 14.134 ( -1.408 -1.594 -10.003) 10.227 14.427 ( 0.508 1.330 4.634) 4.848 ======================= Grid point 427 (215/275) ======================= q-point: ( 0.11 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -3.517 -0.000 -6.580) 7.461 2.317 ( -0.370 -0.000 16.189) 16.193 2.477 ( -1.052 -0.000 5.608) 5.706 2.800 ( 0.178 0.000 6.182) 6.184 3.216 ( -1.012 -0.000 -11.334) 11.379 3.579 ( 21.108 0.000 9.305) 23.068 4.231 ( -12.431 -0.000 -6.185) 13.885 4.423 ( -2.897 -0.000 -2.129) 3.595 4.545 ( 5.766 0.000 -1.253) 5.900 5.250 ( 1.508 0.000 5.719) 5.914 5.852 ( -9.641 -0.000 6.122) 11.421 5.938 ( -17.232 -0.000 6.036) 18.258 6.125 ( 6.660 0.000 2.700) 7.187 6.455 ( -19.179 -0.000 10.832) 22.027 6.579 ( -2.494 -0.000 -0.123) 2.497 6.920 ( -7.535 -0.000 -2.234) 7.859 7.361 ( 11.799 0.000 -5.563) 13.045 7.455 ( 9.399 0.000 8.173) 12.455 7.689 ( -5.111 -0.000 2.902) 5.877 8.045 ( 9.762 0.000 1.104) 9.824 8.403 ( 4.641 0.000 -4.641) 6.563 8.495 ( 14.982 0.000 -5.663) 16.016 9.570 ( -1.022 -0.000 -3.048) 3.215 9.758 ( -0.119 -0.000 -5.346) 5.348 9.957 ( 8.870 0.000 -4.334) 9.873 10.374 ( -1.758 -0.000 10.532) 10.678 10.417 ( 4.078 0.000 4.244) 5.886 10.710 ( 1.443 0.000 -4.442) 4.671 10.900 ( -4.358 -0.000 6.194) 7.574 11.224 ( 0.664 0.000 1.678) 1.804 11.845 ( -5.720 -0.000 -5.436) 7.891 14.071 ( 2.029 0.000 -3.414) 3.972 14.460 ( -0.836 -0.000 2.326) 2.472 ======================= Grid point 428 (216/275) ======================= q-point: ( 0.22 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -2.504 0.319 -4.773) 5.400 2.383 ( 0.768 -1.379 16.808) 16.882 2.497 ( 3.622 1.176 6.404) 7.450 2.783 ( -2.837 0.415 5.471) 6.177 3.194 ( -0.409 -2.651 -7.155) 7.641 3.734 ( -14.180 0.446 5.206) 15.112 4.155 ( 16.274 1.930 -1.946) 16.503 4.423 ( 2.302 -0.130 -9.087) 9.375 4.665 ( 6.921 -3.466 -0.570) 7.761 5.279 ( 0.900 2.377 3.204) 4.090 5.617 ( -14.655 5.686 3.181) 16.038 5.678 ( -11.049 5.526 5.863) 13.675 6.154 ( -20.486 -1.035 11.147) 23.345 6.270 ( -0.118 -9.457 6.200) 11.309 6.572 ( 5.978 6.394 -3.011) 9.257 6.831 ( -5.122 -3.059 -1.318) 6.110 7.383 ( 3.367 10.955 -0.293) 11.465 7.664 ( -5.522 -11.299 0.461) 12.584 7.727 ( 11.473 -8.276 8.505) 16.506 8.217 ( 10.782 1.694 2.191) 11.132 8.445 ( 2.589 -0.145 -2.560) 3.643 8.707 ( 12.678 1.257 -4.367) 13.468 9.551 ( -0.913 -1.572 -4.470) 4.825 9.719 ( -1.934 2.177 -3.920) 4.883 10.051 ( 2.340 -1.963 -3.423) 4.587 10.387 ( 0.959 0.629 8.095) 8.176 10.559 ( 10.514 0.244 0.173) 10.518 10.733 ( 2.610 0.412 1.273) 2.933 10.823 ( -6.815 -1.379 9.756) 11.980 11.236 ( 1.936 1.578 -4.694) 5.317 11.708 ( -7.767 1.323 -8.071) 11.279 14.109 ( 4.114 1.506 -0.166) 4.384 14.446 ( -2.439 -1.412 1.455) 3.171 ======================= Grid point 429 (217/275) ======================= q-point: ( 0.33 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -0.648 -0.510 -1.648) 1.842 2.436 ( 0.517 -0.128 12.569) 12.580 2.638 ( 10.703 -1.114 9.113) 14.101 2.751 ( -1.474 1.152 2.654) 3.247 3.195 ( -4.766 -3.115 0.373) 5.706 3.439 ( -16.673 -2.202 -1.673) 16.901 4.397 ( 11.944 4.641 -0.801) 12.839 4.446 ( 3.851 -1.966 -8.779) 9.786 4.796 ( 2.098 -4.396 -0.028) 4.871 5.137 ( -11.846 8.445 0.871) 14.574 5.339 ( -16.249 -2.643 2.922) 16.720 5.652 ( 12.700 3.494 2.707) 13.447 5.895 ( -15.624 -0.075 10.630) 18.897 6.351 ( -3.169 -8.499 2.621) 9.441 6.604 ( 7.637 7.286 -0.634) 10.574 6.818 ( 0.866 -0.795 0.532) 1.290 7.286 ( -4.829 4.387 2.077) 6.847 7.700 ( -4.795 -9.945 0.772) 11.068 8.027 ( 11.352 -7.362 7.343) 15.395 8.328 ( 5.509 3.105 1.325) 6.461 8.495 ( 2.266 -2.209 2.090) 3.792 8.829 ( 7.992 5.094 -2.900) 9.911 9.553 ( 0.755 -1.173 -5.217) 5.401 9.625 ( -5.242 2.821 -0.199) 5.956 10.074 ( -0.884 -2.423 -1.439) 2.953 10.415 ( 0.813 0.769 4.492) 4.629 10.607 ( -2.909 3.390 0.254) 4.475 10.721 ( -2.976 -2.657 7.473) 8.471 10.963 ( 16.424 -0.625 1.299) 16.487 11.202 ( -4.551 -0.872 -3.781) 5.980 11.553 ( -3.548 3.669 -12.910) 13.883 14.158 ( 4.106 2.930 1.931) 5.401 14.426 ( -3.056 -2.944 0.995) 4.358 ======================= Grid point 430 (218/275) ======================= q-point: (-0.56 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.842 0.129 0.207) 0.877 2.488 ( 1.296 -2.282 5.822) 6.386 2.698 ( -0.829 5.901 1.458) 6.135 2.892 ( 11.076 -3.978 9.691) 15.246 3.017 ( -14.921 -3.032 -0.236) 15.228 3.391 ( 1.775 -3.758 4.387) 6.043 4.409 ( -4.628 4.950 0.544) 6.798 4.466 ( -2.531 -0.037 -10.927) 11.216 4.778 ( -5.730 -3.432 -0.650) 6.711 4.922 ( -5.523 0.560 3.826) 6.742 5.236 ( -4.818 -8.447 1.110) 9.788 5.716 ( -7.647 2.417 9.162) 12.176 5.893 ( 13.980 -1.049 -2.531) 14.246 6.407 ( 4.993 -1.929 0.137) 5.355 6.650 ( 1.753 -0.602 2.861) 3.408 6.855 ( 6.332 6.935 1.539) 9.517 7.162 ( -9.185 -1.572 3.330) 9.895 7.719 ( -6.048 -9.859 0.467) 11.576 8.214 ( 8.377 7.600 2.930) 11.684 8.392 ( 0.139 -7.149 3.792) 8.094 8.539 ( 1.053 2.211 4.580) 5.194 8.846 ( 3.247 6.541 -2.429) 7.696 9.464 ( -5.133 6.341 1.062) 8.227 9.616 ( 1.482 -4.384 -0.077) 4.628 10.068 ( -2.007 -1.152 -0.835) 2.460 10.414 ( -0.573 1.423 2.037) 2.550 10.514 ( -3.648 1.838 2.267) 4.672 10.735 ( -2.786 -4.145 3.547) 6.125 11.020 ( -10.932 -1.207 -1.895) 11.160 11.302 ( 17.034 -0.792 -2.025) 17.173 11.460 ( 1.941 4.886 -14.252) 15.191 14.175 ( 1.068 2.563 1.039) 2.964 14.425 ( -1.336 -2.824 1.892) 3.652 ======================= Grid point 431 (219/275) ======================= q-point: (-0.44 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -3.158 1.863 0.981) 3.795 2.555 ( -0.742 -4.160 -3.226) 5.317 2.591 ( -2.345 5.629 5.127) 7.967 2.807 ( -9.961 -2.971 -5.913) 11.958 3.176 ( 5.615 -5.928 16.206) 18.147 3.500 ( 9.172 1.537 5.973) 11.052 4.115 ( -20.764 -0.733 -0.596) 20.785 4.454 ( 4.917 2.764 -10.382) 11.816 4.736 ( -5.043 -1.179 -0.240) 5.184 4.934 ( -0.372 -6.792 7.370) 10.030 5.339 ( 2.982 -12.490 -0.425) 12.848 5.640 ( -2.133 1.375 6.520) 6.996 6.049 ( 3.678 -4.840 -4.597) 7.621 6.587 ( 15.363 1.456 0.664) 15.446 6.679 ( -2.486 -4.321 2.906) 5.771 6.838 ( -1.211 6.360 2.223) 6.846 7.078 ( -2.495 0.209 3.806) 4.556 7.725 ( -5.994 -9.556 0.204) 11.282 8.212 ( 4.764 9.740 -0.652) 10.862 8.386 ( -7.099 3.857 7.323) 10.904 8.520 ( 1.212 5.811 0.070) 5.937 8.777 ( -3.838 6.070 -1.461) 7.329 9.369 ( -0.111 2.388 3.749) 4.446 9.697 ( 3.249 -1.431 2.912) 4.592 10.032 ( -2.604 0.441 -0.199) 2.649 10.379 ( -3.006 0.737 1.264) 3.343 10.484 ( -1.054 -2.168 2.883) 3.758 10.725 ( -4.657 -4.266 -1.179) 6.424 10.858 ( -9.306 -1.795 0.860) 9.517 11.380 ( 1.396 4.584 -14.771) 15.529 11.581 ( 14.272 -0.399 -1.038) 14.316 14.152 ( -1.268 0.644 -1.970) 2.430 14.445 ( -0.004 -1.035 3.291) 3.450 ======================= Grid point 432 (220/275) ======================= q-point: (-0.33 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -2.883 2.349 3.400) 5.039 2.438 ( -5.158 4.043 2.930) 7.179 2.624 ( -6.285 -5.620 -3.442) 9.107 2.726 ( 1.462 -2.702 -2.289) 3.832 3.193 ( -12.847 -4.922 5.966) 14.995 3.733 ( 17.026 2.460 8.962) 19.397 3.865 ( -9.696 -0.196 -1.232) 9.775 4.504 ( 4.005 -1.913 -8.249) 9.367 4.655 ( -1.606 2.633 -0.204) 3.091 5.028 ( -1.659 -6.289 11.987) 13.638 5.530 ( -0.520 -9.571 2.376) 9.875 5.692 ( 7.668 -9.577 -0.618) 12.284 6.146 ( 4.220 -5.001 -2.291) 6.933 6.653 ( -10.603 -7.101 5.115) 13.748 6.731 ( -4.264 1.775 1.541) 4.869 6.798 ( 8.218 -1.150 -0.774) 8.334 7.087 ( 5.227 4.862 3.930) 8.149 7.737 ( -2.093 -4.937 -1.784) 5.652 8.172 ( -7.390 2.566 -2.081) 8.095 8.197 ( 2.498 15.697 6.910) 17.332 8.422 ( -0.819 12.377 -2.634) 12.680 8.584 ( -9.497 7.770 0.247) 12.273 9.420 ( 4.496 -1.339 2.447) 5.291 9.734 ( 1.655 3.927 2.784) 5.090 9.981 ( -1.843 2.628 1.192) 3.424 10.321 ( -4.592 -1.827 1.366) 5.128 10.536 ( -0.309 -6.069 5.441) 8.157 10.692 ( -2.778 -4.269 -6.518) 8.272 10.774 ( -4.568 -1.322 4.912) 6.836 11.305 ( -1.184 2.922 -10.464) 10.929 11.771 ( 9.140 -0.723 -2.174) 9.423 14.119 ( -1.539 -0.809 -4.992) 5.287 14.459 ( 0.077 0.477 3.965) 3.995 ======================= Grid point 433 (221/275) ======================= q-point: (-0.22 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 2.461 1.275 7.790) 8.269 2.354 ( -3.235 2.191 8.435) 9.296 2.533 ( -7.091 -3.310 -1.503) 7.969 2.824 ( 2.280 -5.002 -2.996) 6.260 3.021 ( -13.406 -7.787 -6.260) 16.719 3.696 ( -3.518 8.902 1.712) 9.724 4.019 ( 12.681 -0.774 4.151) 13.366 4.490 ( -4.364 -2.502 -5.959) 7.799 4.746 ( 13.896 1.509 0.224) 13.979 5.044 ( -7.112 -2.274 15.048) 16.799 5.557 ( -6.695 -11.857 0.656) 13.633 6.032 ( 14.663 -10.965 1.743) 18.392 6.285 ( 7.536 -5.070 -1.355) 9.183 6.521 ( -17.100 -9.796 5.546) 20.472 6.687 ( -2.599 -2.036 -2.184) 3.959 6.864 ( -0.122 -0.493 2.855) 2.900 7.156 ( 5.429 1.628 5.082) 7.613 7.689 ( -3.759 9.358 -4.471) 11.032 7.998 ( -5.021 0.268 5.967) 7.802 8.155 ( 4.411 11.888 -4.696) 13.522 8.236 ( -2.424 15.086 -2.791) 15.532 8.368 ( -4.830 7.800 0.579) 9.193 9.519 ( 4.472 -2.623 0.252) 5.190 9.695 ( -0.162 5.594 1.906) 5.911 9.923 ( 0.018 5.761 0.204) 5.765 10.294 ( -3.757 -4.527 2.560) 6.415 10.581 ( -3.182 -2.804 5.432) 6.891 10.675 ( -1.364 -0.894 -2.948) 3.370 10.800 ( 2.434 -5.017 0.877) 5.645 11.232 ( -3.557 -0.372 -2.697) 4.480 11.880 ( 4.371 -1.155 -3.077) 5.469 14.094 ( -1.188 -1.561 -7.056) 7.324 14.461 ( 0.093 1.302 4.091) 4.294 ======================= Grid point 434 (222/275) ======================= q-point: (-0.11 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 8.648 -0.304 8.751) 12.307 2.326 ( -1.669 2.030 15.219) 15.444 2.486 ( -3.509 -4.226 -0.894) 5.565 2.773 ( -6.620 -0.573 -7.137) 9.751 3.030 ( 0.896 -11.852 -6.434) 13.515 3.539 ( -3.056 11.036 0.781) 11.478 4.186 ( 7.767 0.129 -1.520) 7.916 4.455 ( -0.189 -1.387 -5.070) 5.260 4.861 ( -6.887 4.062 7.268) 10.805 5.038 ( 5.904 -4.023 9.370) 11.783 5.621 ( -3.519 -15.919 1.067) 16.339 6.213 ( 3.659 7.799 7.945) 11.719 6.361 ( -18.113 -11.659 5.268) 22.176 6.542 ( 8.134 -10.812 -3.303) 13.928 6.700 ( 0.690 -8.349 -1.666) 8.542 6.859 ( 0.038 0.307 2.940) 2.957 7.244 ( 5.372 0.880 7.069) 8.922 7.416 ( -10.728 13.707 -1.482) 17.469 7.951 ( -3.878 7.235 1.043) 8.275 8.040 ( -2.337 10.405 -2.633) 10.984 8.107 ( 8.175 4.868 -4.535) 10.540 8.313 ( 5.350 5.295 -2.818) 8.037 9.612 ( 0.873 -4.150 -1.481) 4.492 9.652 ( 3.754 5.030 0.505) 6.297 9.870 ( 1.857 6.224 -1.596) 6.688 10.304 ( -2.966 -5.330 4.473) 7.564 10.526 ( -4.136 3.062 5.813) 7.763 10.678 ( 0.453 -2.053 -3.211) 3.838 10.892 ( 4.339 -0.874 -4.719) 6.471 11.197 ( -5.060 -4.783 8.247) 10.793 11.925 ( 0.921 -1.312 -3.792) 4.117 14.075 ( -0.842 -1.669 -7.542) 7.770 14.460 ( 0.314 1.431 3.832) 4.102 ======================= Grid point 437 (223/275) ======================= q-point: ( 0.22 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -0.416 -0.000 -1.785) 1.833 2.442 ( 0.969 0.000 16.977) 17.004 2.625 ( 9.019 0.000 10.516) 13.854 2.738 ( -4.215 -0.000 6.805) 8.004 3.192 ( 4.178 0.000 -7.610) 8.682 3.405 ( -22.321 -0.000 -0.928) 22.340 4.419 ( 3.888 0.000 -8.176) 9.053 4.455 ( 11.331 0.000 -1.778) 11.470 4.734 ( 2.776 0.000 1.392) 3.105 5.262 ( -8.014 -0.000 3.054) 8.576 5.296 ( -25.344 -0.000 -0.102) 25.344 5.697 ( 9.164 0.000 3.185) 9.702 5.890 ( -15.613 -0.000 11.039) 19.122 6.236 ( 2.259 0.000 2.472) 3.349 6.730 ( -4.601 -0.000 0.115) 4.603 6.781 ( 13.156 0.000 -0.053) 13.156 7.368 ( -14.155 -0.000 1.459) 14.230 7.565 ( 3.129 0.000 -0.454) 3.161 7.905 ( 12.601 0.000 10.976) 16.711 8.410 ( 9.722 0.000 4.492) 10.710 8.443 ( -1.302 -0.000 -0.643) 1.452 8.901 ( 10.642 0.000 -3.099) 11.084 9.509 ( -1.007 -0.000 -5.592) 5.682 9.688 ( -2.879 -0.000 -2.394) 3.744 10.031 ( -1.848 -0.000 -1.478) 2.367 10.432 ( 1.529 0.000 7.466) 7.621 10.637 ( 0.821 0.000 -7.266) 7.312 10.699 ( -9.153 -0.000 12.563) 15.544 10.952 ( 19.467 0.000 2.429) 19.618 11.191 ( -7.601 -0.000 -3.536) 8.383 11.595 ( -2.530 -0.000 -14.338) 14.560 14.201 ( 5.506 0.000 2.222) 5.937 14.383 ( -4.539 -0.000 0.758) 4.602 ======================= Grid point 438 (224/275) ======================= q-point: (-0.67 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 0.505 0.328 1.137) 1.286 2.488 ( 0.672 1.768 11.476) 11.631 2.703 ( -4.698 -4.000 4.950) 7.910 2.832 ( 10.647 -1.470 12.496) 16.483 3.053 ( -14.242 4.649 -2.404) 15.173 3.311 ( 8.118 -3.089 -1.776) 8.866 4.426 ( 1.038 -1.966 -10.912) 11.136 4.524 ( -11.432 5.770 0.698) 12.824 4.658 ( -8.592 -6.645 0.104) 10.862 5.001 ( -5.985 3.467 1.964) 7.190 5.121 ( -8.350 -2.061 3.593) 9.321 5.716 ( -10.300 -1.399 8.100) 13.178 5.878 ( 9.210 -0.350 -1.489) 9.336 6.371 ( 13.203 -0.863 -0.006) 13.231 6.659 ( -3.110 0.689 1.231) 3.415 6.981 ( 11.460 4.018 2.255) 12.351 7.123 ( -15.670 -2.091 2.747) 16.046 7.603 ( -0.188 -1.487 1.309) 1.990 8.167 ( 11.942 -5.177 10.731) 16.869 8.390 ( -2.638 2.357 0.190) 3.543 8.561 ( 6.351 0.186 6.425) 9.036 8.995 ( 4.981 5.473 -1.074) 7.478 9.505 ( -0.273 -4.211 -4.699) 6.316 9.604 ( -3.354 4.967 -0.769) 6.042 10.005 ( -3.030 -3.210 -0.192) 4.418 10.458 ( 0.483 1.756 3.502) 3.947 10.568 ( -4.737 2.991 1.218) 5.733 10.645 ( -3.780 -4.092 3.682) 6.677 11.001 ( -13.348 -0.490 -2.799) 13.647 11.284 ( 19.493 -0.618 -0.073) 19.503 11.537 ( 1.128 2.013 -17.580) 17.731 14.251 ( 0.592 4.310 1.766) 4.695 14.346 ( -1.067 -4.325 2.132) 4.938 ======================= Grid point 439 (225/275) ======================= q-point: (-0.56 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -2.808 0.870 0.629) 3.006 2.485 ( -1.723 0.009 2.209) 2.801 2.697 ( -3.592 -5.085 1.991) 6.536 2.796 ( -5.620 8.164 -1.374) 10.006 3.064 ( 4.970 -4.297 14.498) 15.918 3.524 ( 15.330 1.070 6.958) 16.869 4.084 ( -28.258 -1.491 -2.684) 28.424 4.444 ( 0.615 -3.501 -10.367) 10.960 4.707 ( 1.429 -3.536 1.748) 4.195 4.880 ( -4.352 3.882 4.381) 7.294 5.127 ( 0.189 -7.189 1.104) 7.276 5.633 ( -5.261 -2.004 6.026) 8.247 5.975 ( 3.520 -2.183 -3.664) 5.530 6.592 ( 6.830 0.127 -1.652) 7.028 6.642 ( 4.443 -0.399 3.730) 5.815 6.831 ( -18.782 -3.563 0.987) 19.143 7.178 ( 11.964 5.148 5.253) 14.044 7.613 ( 0.428 -0.705 1.717) 1.905 8.305 ( -5.292 0.686 2.454) 5.874 8.418 ( 9.804 -0.854 6.075) 11.565 8.634 ( 3.132 4.112 6.967) 8.675 8.944 ( -1.051 8.965 0.035) 9.026 9.482 ( -1.036 6.371 2.674) 6.987 9.590 ( 2.658 -6.491 -2.233) 7.361 9.992 ( -3.497 -3.484 0.103) 4.938 10.423 ( -2.802 2.210 0.596) 3.618 10.481 ( -3.066 1.497 -0.459) 3.443 10.631 ( -5.527 -4.190 1.294) 7.056 10.813 ( -9.471 -1.990 -0.331) 9.684 11.466 ( 0.641 3.253 -17.969) 18.272 11.571 ( 14.171 -0.556 -1.028) 14.219 14.187 ( -2.808 2.208 -0.748) 3.650 14.405 ( 1.378 -2.270 4.260) 5.020 ======================= Grid point 440 (226/275) ======================= q-point: (-0.44 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -4.634 -0.125 -1.725) 4.946 2.455 ( -3.491 -1.910 -5.219) 6.563 2.652 ( -1.650 9.141 4.273) 10.224 2.697 ( -1.355 -1.855 0.102) 2.299 3.094 ( -12.772 -3.719 10.543) 16.974 3.748 ( 4.277 -1.451 -0.304) 4.527 3.842 ( 3.297 -1.168 10.117) 10.705 4.454 ( -0.447 -3.035 -9.694) 10.168 4.722 ( 0.694 3.364 1.544) 3.766 4.881 ( 0.177 -6.304 7.038) 9.450 5.268 ( 4.014 -12.375 -1.681) 13.118 5.602 ( -2.149 -1.100 3.573) 4.312 6.059 ( 4.786 -3.807 -2.234) 6.511 6.518 ( -17.044 -4.139 4.893) 18.209 6.648 ( -7.594 -7.256 -3.027) 10.931 6.763 ( 2.532 -1.796 2.688) 4.106 7.297 ( 10.775 11.053 5.989) 16.557 7.671 ( 6.214 -0.302 0.368) 6.232 8.208 ( -5.828 1.390 -0.144) 5.993 8.486 ( 1.595 9.413 6.764) 11.701 8.636 ( 3.069 5.832 1.917) 6.863 8.788 ( -4.132 12.184 1.699) 12.977 9.456 ( 4.876 5.207 1.177) 7.230 9.725 ( 4.036 -6.209 3.967) 8.401 9.963 ( -3.727 -2.461 0.221) 4.471 10.331 ( -5.785 1.577 0.099) 5.997 10.440 ( -2.566 -2.272 0.357) 3.446 10.576 ( -5.213 -5.978 -4.855) 9.300 10.747 ( -3.305 -1.195 4.632) 5.814 11.371 ( -2.037 3.031 -16.165) 16.572 11.758 ( 8.682 -0.541 -1.518) 8.830 14.125 ( -2.057 1.092 -2.589) 3.482 14.450 ( 0.503 -1.034 4.672) 4.811 ======================= Grid point 441 (227/275) ======================= q-point: (-0.33 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -0.092 -1.619 -0.716) 1.773 2.388 ( -3.181 -0.235 -4.082) 5.180 2.543 ( -4.323 6.554 8.023) 11.226 2.725 ( 2.346 -3.274 -1.949) 4.475 2.897 ( -14.912 -4.149 -0.535) 15.488 3.778 ( -1.560 -2.417 2.092) 3.557 4.045 ( 13.266 3.800 8.878) 16.409 4.441 ( -1.044 -1.780 -7.804) 8.072 4.752 ( 5.721 -0.360 3.120) 6.527 4.978 ( -0.039 -4.964 9.538) 10.753 5.365 ( -7.256 -5.954 -0.987) 9.438 5.741 ( 13.142 -12.753 -1.212) 18.353 6.192 ( 2.474 -7.242 2.446) 8.034 6.304 ( -14.765 -6.955 2.362) 16.491 6.608 ( -7.258 -6.134 -3.098) 9.995 6.791 ( -3.191 -4.888 4.774) 7.541 7.321 ( 6.626 12.700 7.302) 16.078 7.790 ( 7.986 1.781 -2.772) 8.639 8.065 ( -8.705 4.714 0.651) 9.921 8.400 ( 1.486 9.536 3.649) 10.318 8.570 ( -3.927 12.399 -0.162) 13.007 8.600 ( 3.316 15.781 0.386) 16.130 9.504 ( 5.058 2.032 -1.311) 5.606 9.795 ( 0.211 2.811 3.335) 4.367 9.968 ( 0.649 -2.628 1.504) 3.096 10.236 ( -4.945 -0.852 1.004) 5.118 10.447 ( -3.679 -7.345 3.878) 9.084 10.607 ( 1.642 -8.096 -5.860) 10.128 10.724 ( -2.174 0.294 6.040) 6.426 11.255 ( -3.921 2.145 -12.491) 13.267 11.857 ( 3.696 -0.931 -1.928) 4.272 14.082 ( -1.326 0.429 -4.039) 4.273 14.472 ( 0.029 -0.186 4.482) 4.486 ======================= Grid point 442 (228/275) ======================= q-point: (-0.22 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 5.658 -3.687 -0.628) 6.783 2.381 ( 3.479 0.341 2.070) 4.062 2.435 ( -4.862 3.902 11.918) 13.450 2.733 ( -9.289 -4.450 -8.211) 13.172 2.828 ( 5.295 -5.011 -3.772) 8.208 3.729 ( -3.758 5.365 4.972) 8.224 4.187 ( 5.829 0.394 -0.514) 5.865 4.440 ( 3.147 0.313 -6.709) 7.417 4.895 ( -3.736 -6.006 12.238) 14.135 4.993 ( 4.742 4.950 4.144) 8.010 5.313 ( -6.575 -12.183 0.352) 13.848 6.051 ( -11.091 -15.533 2.039) 19.195 6.212 ( 8.478 -10.185 4.138) 13.883 6.392 ( 9.691 -2.680 0.124) 10.056 6.522 ( -9.013 -7.033 -3.393) 11.926 6.816 ( -2.513 -4.850 5.787) 7.958 7.311 ( 4.543 8.093 7.376) 11.855 7.721 ( -7.995 13.661 -4.455) 16.444 7.951 ( -0.644 -1.722 2.877) 3.414 8.341 ( 0.745 17.007 0.519) 17.031 8.394 ( 3.254 8.191 0.576) 8.833 8.477 ( 3.391 15.732 -5.137) 16.893 9.550 ( 2.037 -0.830 -2.961) 3.689 9.762 ( 1.196 4.201 1.918) 4.770 9.982 ( 1.497 3.738 -1.411) 4.266 10.207 ( -2.553 -3.573 3.355) 5.526 10.489 ( -3.146 -7.125 4.772) 9.135 10.679 ( 1.052 2.198 1.082) 2.666 10.781 ( 4.213 -9.787 1.579) 10.772 11.137 ( -5.647 0.336 -6.716) 8.781 11.894 ( 0.280 -1.438 -2.366) 2.783 14.050 ( -1.022 -0.293 -4.610) 4.731 14.483 ( 0.168 0.528 3.929) 3.967 ======================= Grid point 443 (229/275) ======================= q-point: (-0.11 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 2.152 -3.240 -3.795) 5.434 2.377 ( -3.011 1.179 14.825) 15.173 2.465 ( 2.381 1.814 1.036) 3.168 2.683 ( 1.719 -4.331 -3.589) 5.881 3.011 ( 12.755 -6.042 -3.269) 14.488 3.594 ( -4.228 8.569 5.595) 11.072 4.239 ( 1.065 -2.289 -6.326) 6.812 4.496 ( 6.039 0.812 -6.091) 8.616 4.694 ( -15.923 4.265 7.138) 17.963 5.152 ( 5.551 -2.720 7.402) 9.644 5.431 ( 0.670 -15.760 4.048) 16.285 5.941 ( -17.362 -12.857 3.764) 21.930 6.363 ( -1.071 6.124 1.843) 6.484 6.427 ( -2.165 -8.652 5.253) 10.351 6.722 ( 6.692 -3.856 -1.159) 7.810 6.822 ( 1.113 -8.710 3.612) 9.495 7.320 ( -5.161 7.573 -1.138) 9.235 7.441 ( 1.638 7.776 5.486) 9.656 7.956 ( -1.262 2.303 2.004) 3.303 8.179 ( 2.072 15.273 0.125) 15.413 8.323 ( 5.934 12.818 -6.473) 15.538 8.462 ( 7.252 4.410 -3.480) 9.173 9.574 ( -0.112 -2.639 -3.272) 4.205 9.757 ( 2.539 3.746 -1.661) 4.821 9.964 ( 3.829 4.534 -2.233) 6.341 10.237 ( -0.376 -3.867 5.333) 6.598 10.496 ( -3.065 -1.006 5.081) 6.019 10.686 ( 1.644 0.737 2.091) 2.760 10.953 ( 6.499 -1.442 -5.497) 8.633 11.050 ( -6.832 -7.319 4.492) 10.974 11.886 ( -2.643 -1.751 -3.031) 4.386 14.034 ( -0.277 -1.091 -4.097) 4.249 14.488 ( 0.241 1.132 3.142) 3.348 ======================= Grid point 447 (230/275) ======================= q-point: ( 0.33 -0.67 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -3.616 -0.000 -0.186) 3.621 2.553 ( 1.134 0.000 9.146) 9.216 2.565 ( -6.781 -0.000 0.323) 6.789 2.918 ( -4.958 -0.000 0.919) 5.043 3.003 ( 6.456 0.000 11.511) 13.197 3.539 ( 19.313 0.000 4.652) 19.865 4.069 ( -32.960 -0.000 -3.782) 33.177 4.387 ( -1.063 -0.000 -8.011) 8.081 4.652 ( 2.606 0.000 2.538) 3.638 4.981 ( -6.999 -0.000 2.361) 7.387 5.024 ( 0.651 0.000 2.152) 2.249 5.596 ( -5.072 -0.000 5.185) 7.253 5.953 ( 3.464 0.000 -3.044) 4.611 6.609 ( -3.252 -0.000 0.846) 3.360 6.623 ( 13.397 0.000 -0.787) 13.420 6.788 ( -22.135 -0.000 2.835) 22.315 7.226 ( 13.120 0.000 3.279) 13.523 7.630 ( 3.687 0.000 2.685) 4.561 8.296 ( -2.681 -0.000 11.794) 12.094 8.407 ( 9.782 0.000 -0.055) 9.782 8.677 ( 3.928 0.000 7.804) 8.737 9.070 ( 0.351 0.000 4.394) 4.408 9.463 ( 0.344 0.000 -5.512) 5.523 9.605 ( 0.413 0.000 -0.721) 0.831 9.933 ( -3.446 -0.000 1.335) 3.696 10.446 ( -3.760 -0.000 -0.571) 3.803 10.520 ( -5.001 -0.000 -6.826) 8.463 10.567 ( -3.976 -0.000 8.215) 9.126 10.789 ( -9.648 -0.000 -1.054) 9.706 11.505 ( -0.397 -0.000 -19.094) 19.098 11.563 ( 15.004 0.000 -0.990) 15.036 14.218 ( -4.848 -0.000 0.045) 4.848 14.374 ( 3.321 0.000 4.362) 5.482 ======================= Grid point 449 (231/275) ======================= q-point: (-0.56 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -7.450 -1.205 -6.591) 10.019 2.480 ( -0.930 3.757 0.928) 3.980 2.617 ( -0.695 -4.970 3.532) 6.137 2.847 ( -1.095 6.574 2.979) 7.300 3.047 ( -9.166 -0.898 11.176) 14.482 3.658 ( -13.970 -4.256 -6.340) 15.921 3.885 ( 21.007 3.328 12.269) 24.554 4.362 ( -2.340 -4.313 -4.911) 6.942 4.716 ( 2.472 -2.730 4.040) 5.466 4.875 ( -2.648 4.371 -0.216) 5.115 5.065 ( 0.888 -6.211 -1.260) 6.400 5.580 ( -0.427 -1.190 4.097) 4.287 6.003 ( 3.337 -0.977 -2.765) 4.442 6.438 ( -23.539 -3.688 1.290) 23.862 6.567 ( -2.777 0.519 1.373) 3.141 6.719 ( -2.020 -2.092 1.554) 3.297 7.439 ( 13.211 2.246 2.071) 13.560 7.728 ( 9.317 3.670 3.163) 10.501 8.229 ( -5.950 0.478 5.832) 8.345 8.593 ( 9.310 1.619 3.563) 10.099 8.694 ( -2.379 0.887 5.576) 6.127 9.053 ( 2.125 10.256 8.394) 13.423 9.519 ( 2.757 -8.892 -0.021) 9.310 9.608 ( 4.253 5.887 -1.460) 7.408 9.907 ( -2.707 -2.800 1.825) 4.301 10.352 ( -7.014 0.340 -2.920) 7.605 10.413 ( -5.434 -1.117 -6.029) 8.193 10.483 ( -8.031 -1.853 -0.813) 8.282 10.730 ( -0.609 -0.392 4.869) 4.922 11.420 ( -2.525 1.321 -18.576) 18.794 11.749 ( 8.594 -0.225 -1.291) 8.693 14.149 ( -3.025 0.760 -0.332) 3.137 14.428 ( 1.407 -0.694 4.452) 4.720 ======================= Grid point 450 (232/275) ======================= q-point: (-0.44 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -2.775 -3.856 -10.198) 11.251 2.416 ( -2.807 3.560 1.527) 4.784 2.644 ( -3.095 -4.495 -0.854) 5.523 2.751 ( -0.695 9.842 4.113) 10.689 2.858 ( -11.119 0.422 5.417) 12.376 3.656 ( 1.519 -7.039 -1.780) 7.418 4.138 ( 10.388 4.907 12.785) 17.188 4.395 ( 2.775 -3.755 -2.157) 5.143 4.782 ( 2.162 2.785 0.047) 3.526 4.838 ( -0.365 -5.346 4.881) 7.248 5.208 ( 5.375 -9.897 -4.900) 12.282 5.603 ( 1.708 -0.881 2.551) 3.193 6.027 ( -8.672 -4.775 2.087) 10.117 6.187 ( -8.280 -6.411 -0.981) 10.517 6.510 ( -5.056 -0.876 -0.712) 5.180 6.693 ( -4.742 -4.882 4.043) 7.916 7.564 ( 7.068 7.459 3.723) 10.929 7.847 ( 9.286 4.737 2.694) 10.767 8.145 ( -4.659 2.138 2.175) 5.568 8.554 ( -4.681 5.354 4.735) 8.544 8.742 ( 5.462 3.639 -1.323) 6.695 8.961 ( 1.978 16.927 8.565) 19.074 9.605 ( 3.456 4.843 -2.379) 6.408 9.731 ( 7.918 -8.968 7.025) 13.874 9.892 ( -2.342 -1.119 1.784) 3.150 10.225 ( -7.010 -0.673 -1.649) 7.232 10.343 ( -5.670 -2.525 -4.601) 7.726 10.415 ( -3.500 -8.353 -4.897) 10.296 10.746 ( 0.632 1.120 5.543) 5.690 11.303 ( -3.736 1.939 -16.310) 16.844 11.842 ( 3.257 -0.509 -1.162) 3.496 14.101 ( -1.684 1.038 -1.109) 2.268 14.460 ( 0.297 -0.695 4.393) 4.458 ======================= Grid point 451 (233/275) ======================= q-point: (-0.33 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 3.125 -6.197 -10.541) 12.620 2.385 ( 3.236 1.150 5.413) 6.411 2.597 ( -4.049 2.028 -1.528) 4.780 2.642 ( -3.635 4.625 2.172) 6.270 2.805 ( 3.607 0.975 0.551) 3.777 3.729 ( -1.609 -4.479 3.130) 5.696 4.204 ( 0.422 0.314 3.174) 3.217 4.487 ( 7.893 3.942 -3.899) 9.646 4.795 ( 0.988 -1.613 5.240) 5.571 4.952 ( 1.192 -9.492 7.034) 11.874 5.224 ( -8.058 2.123 -2.079) 8.589 5.730 ( -2.853 -12.611 -0.045) 12.929 5.987 ( 5.758 -9.195 1.775) 10.994 6.243 ( -1.081 -9.416 -0.737) 9.507 6.449 ( -1.797 -0.909 -0.487) 2.072 6.709 ( -1.780 -4.754 5.510) 7.492 7.541 ( 1.769 10.649 5.783) 12.247 7.914 ( 3.275 3.403 0.875) 4.803 8.002 ( -7.714 7.712 0.329) 10.913 8.487 ( 2.229 3.620 2.429) 4.896 8.700 ( 0.572 12.847 -1.621) 12.961 8.831 ( 2.379 16.526 4.050) 17.181 9.588 ( 0.887 3.751 -3.676) 5.327 9.824 ( -0.128 2.065 2.315) 3.105 9.991 ( 6.296 -4.096 5.123) 9.092 10.153 ( -3.498 -1.646 -0.258) 3.875 10.287 ( -6.125 -9.246 1.278) 11.164 10.522 ( 3.710 -12.191 -5.289) 13.797 10.750 ( 0.739 2.909 5.643) 6.392 11.177 ( -3.951 2.415 -13.035) 13.833 11.868 ( -0.355 -0.988 -1.056) 1.489 14.063 ( -1.233 1.201 -1.633) 2.372 14.481 ( 0.132 -0.559 4.065) 4.106 ======================= Grid point 452 (234/275) ======================= q-point: (-0.22 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 4.456 -6.278 -9.228) 12.017 2.464 ( -1.298 4.830 5.749) 7.620 2.534 ( 4.169 5.571 4.688) 8.390 2.575 ( -0.112 -4.233 -2.509) 4.922 2.945 ( 15.708 -0.545 -0.536) 15.726 3.706 ( -5.205 0.680 6.934) 8.696 4.198 ( -1.463 -1.214 -3.378) 3.876 4.517 ( 2.070 1.975 -9.276) 9.707 4.783 ( -7.165 2.825 7.174) 10.525 5.099 ( -2.500 -2.412 2.252) 4.140 5.125 ( 3.797 -12.103 7.386) 14.678 5.700 ( -10.659 -8.651 1.431) 13.803 6.209 ( -5.532 -9.285 1.054) 10.859 6.408 ( 11.490 -8.679 -0.069) 14.400 6.519 ( 11.034 -4.953 -1.137) 12.148 6.735 ( -4.601 -3.348 8.397) 10.144 7.467 ( 0.764 8.175 4.372) 9.302 7.703 ( -10.048 13.570 -3.863) 17.321 7.957 ( 1.488 0.161 4.440) 4.685 8.529 ( -0.613 16.137 1.406) 16.210 8.533 ( 6.263 3.155 0.263) 7.017 8.686 ( 1.340 17.163 -3.588) 17.585 9.547 ( -1.094 0.498 -4.299) 4.464 9.818 ( 0.820 1.790 0.627) 2.066 10.045 ( 1.135 2.980 -2.706) 4.182 10.165 ( 1.761 -3.362 3.851) 5.407 10.365 ( -1.588 -10.816 6.437) 12.686 10.725 ( 1.979 -10.399 6.561) 12.454 10.748 ( 4.698 1.070 -3.145) 5.754 11.060 ( -2.782 3.012 -9.359) 10.218 11.850 ( -3.268 -1.551 -1.345) 3.860 14.031 ( -0.658 0.824 -1.470) 1.809 14.499 ( 0.269 -0.138 3.331) 3.344 ======================= Grid point 453 (235/275) ======================= q-point: (-0.11 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 3.210 -2.893 -6.128) 7.499 2.389 ( -2.494 2.285 5.988) 6.877 2.491 ( -0.101 3.784 0.885) 3.888 2.681 ( 2.572 -3.432 0.835) 4.369 3.291 ( 20.534 1.111 1.604) 20.627 3.631 ( -0.273 2.813 10.024) 10.414 4.136 ( -7.863 -1.948 -9.105) 12.187 4.447 ( -6.392 -2.064 -2.211) 7.071 4.701 ( 5.725 6.244 -3.996) 9.367 5.137 ( -2.789 -7.232 4.682) 9.055 5.343 ( 3.017 -11.360 9.060) 14.841 5.621 ( -9.188 -5.471 2.758) 11.043 6.195 ( -5.279 -9.071 -3.091) 10.941 6.518 ( 2.731 3.270 7.183) 8.352 6.614 ( -15.299 0.251 11.484) 19.131 6.878 ( 13.718 -8.879 -4.379) 16.917 7.304 ( -8.233 12.526 -6.361) 16.283 7.578 ( 6.901 -0.729 6.813) 9.725 7.991 ( 1.778 2.529 3.925) 4.996 8.385 ( 2.503 14.244 0.807) 14.485 8.507 ( 1.305 14.508 -6.247) 15.849 8.604 ( 6.100 2.502 -0.604) 6.621 9.531 ( -0.648 -2.440 -4.714) 5.347 9.783 ( -2.524 2.193 -1.608) 3.711 10.047 ( 2.180 -0.137 -1.387) 2.587 10.278 ( 8.109 -0.698 3.399) 8.820 10.440 ( -1.596 -4.713 5.199) 7.196 10.742 ( 0.305 2.110 10.361) 10.578 10.882 ( -3.186 -6.296 -4.116) 8.169 11.034 ( 7.239 -1.389 -6.465) 9.805 11.784 ( -6.742 -1.964 -2.502) 7.455 14.025 ( 0.986 -0.227 -0.621) 1.187 14.506 ( -0.179 0.673 2.311) 2.414 ======================= Grid point 458 (236/275) ======================= q-point: ( 0.44 -0.56 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -3.438 -0.000 -12.828) 13.281 2.519 ( 0.707 0.000 0.667) 0.972 2.528 ( -7.764 -0.000 2.869) 8.277 2.870 ( -9.524 -0.000 6.846) 11.729 2.883 ( -0.700 -0.000 4.643) 4.695 3.561 ( 3.082 0.000 -5.681) 6.463 4.265 ( -4.768 -0.000 0.349) 4.781 4.274 ( 17.864 0.000 15.871) 23.896 4.741 ( 0.253 0.000 6.630) 6.634 4.894 ( 2.827 0.000 -6.543) 7.128 5.048 ( 4.087 0.000 -5.764) 7.066 5.598 ( 1.111 0.000 3.900) 4.055 6.043 ( 2.237 0.000 -1.327) 2.601 6.047 ( -21.080 -0.000 0.831) 21.097 6.550 ( -1.011 -0.000 1.680) 1.961 6.599 ( -8.372 -0.000 2.050) 8.620 7.629 ( 7.645 0.000 0.886) 7.696 7.929 ( 10.474 0.000 2.357) 10.736 8.160 ( -5.159 -0.000 7.516) 9.116 8.617 ( -6.644 -0.000 4.839) 8.219 8.767 ( 8.606 0.000 0.038) 8.606 9.234 ( 4.976 0.000 16.392) 17.130 9.467 ( -0.076 -0.000 0.021) 0.078 9.753 ( 9.010 0.000 -2.465) 9.342 9.874 ( 0.011 0.000 3.050) 3.050 10.223 ( -6.723 -0.000 -5.244) 8.527 10.272 ( -7.125 -0.000 -6.549) 9.678 10.348 ( -7.339 -0.000 -3.890) 8.306 10.759 ( 1.661 0.000 5.420) 5.669 11.325 ( -3.693 -0.000 -17.320) 17.709 11.836 ( 3.114 0.000 -0.891) 3.239 14.114 ( -1.887 -0.000 0.381) 1.926 14.452 ( 0.487 0.000 4.010) 4.040 ======================= Grid point 460 (237/275) ======================= q-point: (-0.44 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 3.487 -2.744 -15.055) 15.696 2.421 ( -0.334 1.669 3.800) 4.164 2.541 ( -1.556 -2.228 -0.615) 2.786 2.833 ( 2.499 1.692 2.875) 4.168 2.844 ( -0.721 6.451 4.772) 8.057 3.615 ( 0.644 -4.239 -3.176) 5.336 4.195 ( -3.912 -0.540 3.199) 5.082 4.544 ( 11.115 0.852 12.010) 16.386 4.769 ( -1.914 -5.493 6.317) 8.587 4.879 ( 2.749 8.679 -6.660) 11.280 5.137 ( -3.162 -10.008 -7.217) 12.737 5.613 ( -0.658 0.166 3.425) 3.492 5.858 ( 1.510 -2.436 0.175) 2.872 6.069 ( -3.803 -5.676 0.747) 6.873 6.480 ( -0.395 3.760 1.235) 3.977 6.599 ( -0.447 -5.580 2.894) 6.302 7.677 ( -0.314 2.278 1.605) 2.804 8.018 ( 2.858 5.278 3.006) 6.713 8.110 ( -3.369 1.511 3.991) 5.437 8.548 ( -0.749 1.830 4.868) 5.255 8.856 ( 4.326 2.919 -3.942) 6.540 9.195 ( -0.004 16.916 11.942) 20.706 9.555 ( -3.014 -11.024 6.762) 13.279 9.872 ( 4.472 2.621 -0.350) 5.196 9.902 ( 6.258 0.108 2.643) 6.794 10.117 ( -4.027 -0.374 -3.431) 5.304 10.188 ( -7.088 -2.040 -9.653) 12.148 10.286 ( 1.544 -8.348 -3.039) 9.017 10.797 ( 1.961 1.215 4.851) 5.372 11.217 ( -3.364 1.099 -14.760) 15.178 11.853 ( -0.766 -0.357 -0.284) 0.891 14.087 ( -1.293 0.759 0.648) 1.634 14.469 ( 0.107 -0.434 3.691) 3.718 ======================= Grid point 461 (238/275) ======================= q-point: (-0.33 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 7.932 -4.056 -13.247) 15.964 2.508 ( 1.125 -1.100 -0.476) 1.644 2.516 ( 4.148 0.776 4.127) 5.902 2.739 ( -0.942 10.369 3.766) 11.072 2.962 ( 15.557 1.450 1.048) 15.660 3.636 ( -4.115 -5.543 1.202) 7.008 4.166 ( -2.690 -2.109 1.919) 3.920 4.606 ( -4.463 5.621 -7.136) 10.121 4.790 ( -4.936 -1.471 4.739) 6.999 4.880 ( 5.099 -8.270 7.344) 12.178 5.091 ( -3.467 -1.099 -4.276) 5.614 5.598 ( -2.672 -1.159 2.396) 3.772 6.036 ( -5.752 -6.711 2.617) 9.218 6.155 ( 18.996 -10.287 -2.233) 21.718 6.494 ( 3.757 0.932 1.704) 4.229 6.664 ( -0.224 -3.762 5.641) 6.784 7.603 ( -4.335 3.507 1.419) 5.754 7.940 ( -7.306 7.056 -4.422) 11.078 8.025 ( 0.766 6.316 7.820) 10.081 8.585 ( 4.822 1.954 4.237) 6.710 8.805 ( -1.318 8.928 -3.994) 9.870 9.031 ( -0.837 15.537 6.090) 16.709 9.560 ( -5.045 -2.032 1.522) 5.648 9.859 ( 0.279 2.743 1.177) 2.998 10.040 ( -6.982 -7.156 -7.684) 12.610 10.085 ( 3.017 -3.444 4.615) 6.501 10.149 ( 6.131 -2.929 2.516) 7.246 10.476 ( 7.988 -10.164 -3.250) 13.330 10.821 ( 2.193 2.821 4.292) 5.584 11.118 ( -2.124 2.124 -12.085) 12.453 11.822 ( -3.897 -0.936 -0.051) 4.008 14.060 ( -0.752 1.515 0.883) 1.908 14.487 ( 0.160 -0.795 3.193) 3.294 ======================= Grid point 462 (239/275) ======================= q-point: (-0.22 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 8.702 -2.659 -8.253) 12.284 2.441 ( -2.937 2.200 -2.303) 4.332 2.606 ( 0.018 4.620 6.399) 7.892 2.663 ( 3.793 3.602 1.271) 5.383 3.312 ( 25.812 1.229 1.630) 25.893 3.622 ( -4.057 -4.069 6.435) 8.627 4.134 ( -4.756 0.732 -3.841) 6.158 4.377 ( -12.007 -3.110 -7.313) 14.399 4.776 ( -2.129 -2.658 1.419) 3.690 5.020 ( 2.032 -0.009 -1.291) 2.408 5.143 ( 6.339 -6.253 5.942) 10.704 5.575 ( -2.099 -0.561 3.208) 3.875 6.013 ( -5.532 -7.548 -0.214) 9.361 6.510 ( 2.304 -2.749 3.982) 5.359 6.566 ( 0.039 -5.679 7.156) 9.135 6.719 ( 10.299 -3.767 0.198) 10.968 7.503 ( -4.771 3.634 -1.653) 6.222 7.680 ( -7.172 10.330 -3.749) 13.123 8.044 ( 4.501 3.611 7.174) 9.207 8.640 ( -1.206 6.841 1.461) 7.098 8.652 ( 1.775 5.448 0.845) 5.792 8.864 ( -0.380 16.153 -1.374) 16.216 9.503 ( -2.798 -0.701 -2.435) 3.775 9.811 ( -4.870 0.303 -1.278) 5.044 9.987 ( -3.216 -5.797 -1.837) 6.879 10.233 ( 6.847 -4.365 6.568) 10.444 10.318 ( 6.712 -3.953 2.299) 8.122 10.680 ( 3.903 -7.436 2.894) 8.883 10.838 ( 3.794 3.054 -0.360) 4.884 11.053 ( 1.280 1.722 -9.024) 9.276 11.746 ( -7.435 -1.606 -0.694) 7.638 14.043 ( 0.622 1.669 1.402) 2.267 14.505 ( -0.057 -0.738 2.216) 2.337 ======================= Grid point 463 (240/275) ======================= q-point: (-0.11 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 2.874 1.346 -5.147) 6.047 2.401 ( 2.615 0.950 2.118) 3.497 2.559 ( 0.583 4.290 5.353) 6.885 2.708 ( 2.920 0.944 0.693) 3.146 3.478 ( -2.583 3.641 5.641) 7.193 3.686 ( -6.231 -0.616 2.275) 6.662 4.053 ( 10.176 -0.502 -6.451) 12.059 4.368 ( 3.812 -5.072 -3.331) 7.165 4.789 ( 0.337 -3.532 -2.517) 4.350 5.029 ( -1.173 -1.334 0.259) 1.795 5.313 ( 4.062 -6.059 2.170) 7.611 5.561 ( -0.033 2.802 7.212) 7.737 6.035 ( -3.348 -7.474 -1.850) 8.396 6.349 ( -16.588 -1.740 10.785) 19.862 6.626 ( 2.842 2.006 6.311) 7.206 6.965 ( 4.371 -1.100 -3.835) 5.918 7.285 ( -5.200 7.742 -6.127) 11.159 7.665 ( 6.241 -5.362 3.811) 9.067 8.083 ( 2.022 5.446 5.293) 7.859 8.520 ( -0.232 6.198 -0.276) 6.209 8.648 ( -1.166 11.123 -2.243) 11.407 8.705 ( 2.660 6.132 0.475) 6.701 9.480 ( -0.864 -1.890 -4.197) 4.683 9.717 ( -6.509 -1.235 0.925) 6.689 10.025 ( 0.021 -4.953 0.483) 4.977 10.392 ( 1.482 -4.812 6.177) 7.969 10.453 ( 9.805 1.104 -2.170) 10.102 10.750 ( -1.228 -1.536 12.973) 13.121 10.874 ( 5.255 2.802 -7.374) 9.479 11.109 ( 6.947 -2.770 -6.717) 10.053 11.612 ( -10.994 -2.212 -2.769) 11.551 14.058 ( 2.497 0.814 2.025) 3.316 14.506 ( -0.984 0.020 1.063) 1.448 ======================= Grid point 469 (241/275) ======================= q-point: (-0.44 0.56 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 9.599 0.000 -15.062) 17.861 2.499 ( 6.675 0.000 4.079) 7.823 2.525 ( -0.439 -0.000 0.575) 0.724 2.873 ( -1.789 -0.000 5.310) 5.603 2.981 ( 15.401 0.000 1.483) 15.472 3.557 ( -3.386 -0.000 -4.629) 5.735 4.135 ( -3.603 -0.000 4.447) 5.724 4.700 ( -4.117 -0.000 5.086) 6.544 4.709 ( -7.095 -0.000 2.317) 7.463 4.843 ( -2.165 -0.000 -1.759) 2.789 5.054 ( 8.050 0.000 -8.191) 11.485 5.603 ( -3.173 -0.000 3.648) 4.835 5.952 ( -6.489 -0.000 2.971) 7.137 6.041 ( 20.099 0.000 -1.032) 20.125 6.541 ( 1.345 0.000 5.466) 5.629 6.588 ( 3.235 0.000 0.819) 3.337 7.633 ( -5.775 -0.000 0.051) 5.775 8.015 ( -5.857 -0.000 -3.605) 6.877 8.109 ( -0.351 -0.000 8.244) 8.252 8.611 ( 4.656 0.000 6.157) 7.719 8.900 ( 0.472 0.000 -6.861) 6.877 9.348 ( -4.139 -0.000 15.197) 15.750 9.371 ( -6.767 -0.000 6.356) 9.284 9.924 ( -1.301 -0.000 2.867) 3.148 9.955 ( -3.668 -0.000 -16.931) 17.324 10.005 ( 0.414 0.000 4.197) 4.218 10.165 ( 5.597 0.000 -3.803) 6.767 10.341 ( 11.237 0.000 -0.245) 11.240 10.853 ( 2.507 0.000 3.966) 4.692 11.142 ( -2.056 -0.000 -12.854) 13.018 11.812 ( -4.189 -0.000 0.462) 4.214 14.078 ( -0.685 -0.000 1.953) 2.070 14.476 ( 0.045 0.000 2.944) 2.945 ======================= Grid point 471 (242/275) ======================= q-point: (-0.33 -0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 12.439 -0.856 -10.974) 16.610 2.501 ( -0.763 2.997 0.251) 3.103 2.605 ( 3.070 -1.776 4.638) 5.839 2.821 ( -1.564 6.119 4.428) 7.713 3.335 ( 23.820 0.471 0.254) 23.826 3.516 ( 0.140 -3.870 -0.851) 3.965 4.113 ( -1.937 -1.771 3.709) 4.544 4.360 ( -21.101 0.696 -10.854) 23.739 4.662 ( -5.297 -4.253 4.475) 8.134 5.030 ( 13.270 -0.756 2.513) 13.527 5.141 ( 6.537 3.435 -6.580) 9.891 5.552 ( -3.893 -1.371 4.208) 5.894 5.890 ( -4.539 -3.416 2.587) 6.242 6.398 ( 18.746 -4.544 -0.182) 19.290 6.521 ( -6.348 0.799 8.732) 10.825 6.676 ( 6.170 -1.438 1.518) 6.515 7.530 ( -5.966 0.123 -2.581) 6.502 7.856 ( -8.604 4.569 -5.052) 10.974 8.130 ( 2.672 2.899 7.635) 8.593 8.690 ( 3.382 1.909 5.884) 7.050 8.814 ( -5.480 4.790 -5.933) 9.390 9.163 ( -2.994 12.547 5.770) 14.131 9.416 ( -5.861 -9.420 8.646) 14.066 9.777 ( -10.087 -2.019 -14.402) 17.699 9.903 ( -0.940 -0.352 2.155) 2.378 10.148 ( 8.814 -2.603 6.765) 11.412 10.280 ( 8.846 -0.412 -1.042) 8.916 10.551 ( 10.462 -3.782 0.681) 11.145 10.895 ( 2.604 1.598 2.866) 4.189 11.084 ( -0.176 0.859 -11.415) 11.448 11.720 ( -8.015 -0.675 0.447) 8.056 14.078 ( 0.720 1.178 2.885) 3.198 14.486 ( -0.239 -0.700 1.852) 1.994 ======================= Grid point 472 (243/275) ======================= q-point: (-0.22 -0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 7.917 0.710 -6.110) 10.026 2.457 ( 1.788 4.349 1.496) 4.935 2.647 ( -0.702 1.234 5.826) 5.997 2.761 ( 2.305 4.790 1.462) 5.514 3.437 ( -4.045 -5.602 -0.241) 6.914 3.725 ( -0.478 3.533 0.758) 3.645 4.067 ( 4.383 1.270 -4.485) 6.398 4.231 ( 8.405 -6.766 -3.770) 11.430 4.647 ( -5.243 -6.806 3.215) 9.173 5.118 ( 2.873 7.130 -5.206) 9.284 5.246 ( 8.852 -0.651 -1.186) 8.955 5.574 ( 2.466 -2.508 7.229) 8.039 5.896 ( -0.753 -4.947 0.132) 5.005 6.337 ( -17.638 0.733 11.405) 21.017 6.626 ( 5.474 -1.472 2.086) 6.041 6.893 ( 14.731 -3.839 -0.717) 15.240 7.397 ( -9.860 1.291 -5.061) 11.158 7.677 ( -3.054 5.272 -2.376) 6.540 8.176 ( 3.943 3.176 6.227) 8.025 8.628 ( -7.526 4.078 -1.569) 8.703 8.708 ( -1.139 2.225 3.746) 4.503 9.005 ( -1.268 13.485 -1.784) 13.662 9.449 ( -0.781 -3.581 4.015) 5.437 9.618 ( -10.997 -6.127 -5.216) 13.627 9.923 ( 0.019 -3.253 2.239) 3.949 10.327 ( 7.386 -0.765 5.392) 9.177 10.443 ( 9.906 -2.170 -1.187) 10.210 10.717 ( 4.743 -1.382 6.411) 8.094 10.928 ( 4.761 1.872 -2.515) 5.700 11.075 ( 3.550 -0.405 -8.275) 9.014 11.571 ( -11.951 -1.561 -0.813) 12.080 14.095 ( 2.488 2.144 3.484) 4.788 14.490 ( -1.026 -1.248 0.347) 1.653 ======================= Grid point 473 (244/275) ======================= q-point: (-0.11 -0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -2.867 2.387 -4.086) 5.533 2.516 ( 5.722 1.635 4.214) 7.292 2.609 ( -0.675 4.463 5.404) 7.041 2.821 ( 8.772 2.612 3.370) 9.753 3.420 ( -9.410 -0.203 3.422) 10.014 3.455 ( -12.661 -0.350 -8.388) 15.192 4.184 ( 5.442 -3.591 -0.721) 6.560 4.490 ( 5.898 -0.091 -1.590) 6.109 4.711 ( 7.598 -6.517 0.669) 10.033 5.055 ( -0.914 4.951 -0.824) 5.101 5.361 ( 6.616 -1.375 -3.429) 7.577 5.699 ( 10.942 2.899 6.196) 12.904 5.863 ( -14.453 0.442 3.693) 14.924 6.182 ( 0.095 -6.734 7.232) 9.882 6.698 ( 2.793 0.523 2.700) 3.920 6.954 ( -8.143 6.811 -4.187) 11.412 7.282 ( 0.769 0.935 -2.793) 3.044 7.690 ( 4.513 -7.432 2.160) 8.960 8.171 ( -1.598 6.882 4.197) 8.218 8.499 ( -5.804 -1.065 0.060) 5.901 8.655 ( -4.343 1.354 0.749) 4.610 8.833 ( -0.721 11.623 -3.701) 12.220 9.442 ( -3.246 0.475 -1.552) 3.629 9.577 ( -3.282 -7.727 5.414) 9.990 9.975 ( -0.065 -4.974 2.090) 5.396 10.415 ( 2.530 0.544 2.785) 3.802 10.557 ( 2.475 1.968 -2.759) 4.196 10.795 ( 1.864 -0.190 10.855) 11.015 11.020 ( 11.033 1.830 -5.766) 12.583 11.163 ( 6.404 -2.641 -4.759) 8.405 11.382 ( -12.438 -2.951 -4.227) 13.464 14.127 ( 3.033 2.116 3.176) 4.875 14.479 ( -1.799 -1.075 -0.645) 2.193 ======================= Grid point 480 (245/275) ======================= q-point: (-0.33 -0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 9.604 0.000 -6.996) 11.882 2.541 ( 3.937 0.000 1.350) 4.162 2.619 ( -1.046 -0.000 5.625) 5.722 2.842 ( -1.220 -0.000 5.925) 6.049 3.353 ( -3.683 -0.000 -6.069) 7.099 3.776 ( 0.178 0.000 -0.158) 0.238 4.096 ( -0.269 -0.000 3.842) 3.851 4.131 ( 13.639 0.000 -11.214) 17.657 4.567 ( -5.247 -0.000 4.386) 6.839 5.219 ( 7.886 0.000 -5.912) 9.856 5.260 ( 6.541 0.000 -5.816) 8.753 5.507 ( 1.425 0.000 9.636) 9.741 5.841 ( -0.555 -0.000 2.297) 2.363 6.355 ( -16.778 -0.000 11.184) 20.163 6.600 ( 8.702 0.000 -0.086) 8.702 6.851 ( 15.171 0.000 1.321) 15.228 7.400 ( -9.857 -0.000 -5.156) 11.124 7.752 ( -5.499 -0.000 -4.029) 6.817 8.207 ( 2.705 0.000 6.073) 6.648 8.690 ( -10.523 -0.000 -5.472) 11.861 8.736 ( -1.651 -0.000 4.969) 5.236 9.247 ( -1.696 -0.000 5.738) 5.983 9.269 ( -3.037 -0.000 5.424) 6.217 9.572 ( -8.955 -0.000 -10.467) 13.775 9.891 ( -1.063 -0.000 3.254) 3.423 10.337 ( 12.581 0.000 6.231) 14.039 10.399 ( 6.990 0.000 -1.679) 7.189 10.700 ( 8.395 0.000 5.101) 9.823 10.949 ( 2.877 0.000 -0.821) 2.991 11.075 ( 2.809 0.000 -9.744) 10.141 11.553 ( -12.392 -0.000 -0.034) 12.392 14.123 ( 2.780 0.000 4.280) 5.104 14.472 ( -1.312 -0.000 -0.200) 1.327 ======================= Grid point 481 (246/275) ======================= q-point: (-0.22 -0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -3.302 1.183 -4.761) 5.913 2.574 ( -1.057 3.109 7.400) 8.096 2.689 ( 6.983 1.149 4.200) 8.229 2.862 ( 6.198 1.715 6.353) 9.040 3.318 ( -2.194 -4.515 -4.449) 6.708 3.504 ( -17.870 1.859 -13.223) 22.308 4.126 ( 2.426 -1.648 2.018) 3.560 4.490 ( -1.812 0.216 2.573) 3.155 4.599 ( 24.489 -3.349 -0.323) 24.720 5.181 ( -1.931 5.553 -3.820) 7.012 5.338 ( 3.633 -1.278 -2.414) 4.546 5.699 ( 13.670 -1.214 7.550) 15.664 5.853 ( -2.007 -1.825 1.035) 2.904 6.125 ( -9.616 0.621 8.560) 12.889 6.698 ( 4.233 -0.104 -0.093) 4.235 7.074 ( 4.406 4.505 -0.642) 6.334 7.219 ( -4.800 -5.110 -3.748) 7.950 7.657 ( -4.238 1.627 -1.135) 4.680 8.242 ( -0.559 0.385 3.370) 3.438 8.495 ( -10.251 0.901 -1.702) 10.431 8.674 ( -6.131 0.733 2.550) 6.680 9.085 ( -5.896 10.979 -4.980) 13.420 9.347 ( -4.177 -11.120 2.960) 12.242 9.476 ( 0.161 0.896 3.045) 3.178 9.894 ( -1.219 -2.220 4.090) 4.810 10.461 ( 5.124 3.298 0.709) 6.134 10.556 ( 7.860 -2.158 -0.175) 8.152 10.799 ( 0.923 0.515 11.730) 11.778 11.021 ( 7.969 -1.003 -8.014) 11.346 11.141 ( 8.737 0.297 -4.552) 9.856 11.335 ( -14.717 -1.300 -1.897) 14.896 14.181 ( 3.800 2.076 4.750) 6.427 14.444 ( -2.510 -1.521 -2.446) 3.821 ======================= Grid point 482 (247/275) ======================= q-point: (-0.11 -0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -6.616 0.709 -2.143) 6.990 2.529 ( -5.141 -0.290 9.591) 10.885 2.724 ( 4.033 6.682 0.989) 7.867 3.072 ( 16.080 2.229 11.421) 19.849 3.158 ( -16.013 2.143 -12.086) 20.176 3.357 ( 0.131 -4.612 -4.133) 6.194 4.219 ( 4.842 -3.540 0.251) 6.003 4.378 ( -11.771 -0.964 -0.266) 11.813 4.864 ( 2.771 0.822 -3.910) 4.862 5.129 ( 3.196 7.431 5.813) 9.961 5.434 ( 5.009 -6.066 3.973) 8.813 5.700 ( -4.161 6.813 0.793) 8.022 5.996 ( 18.167 3.421 1.370) 18.537 6.220 ( 11.064 -7.486 4.539) 14.108 6.727 ( -1.891 1.506 -2.650) 3.587 6.858 ( -8.639 5.366 -2.944) 10.588 7.305 ( -0.756 3.085 0.883) 3.297 7.663 ( 2.969 -10.361 2.293) 11.020 8.170 ( -7.231 2.394 0.515) 7.634 8.355 ( -8.250 -0.892 1.986) 8.533 8.560 ( -7.996 -0.370 -0.971) 8.063 8.843 ( -9.171 5.609 -6.170) 12.395 9.368 ( -1.915 -2.243 3.995) 4.966 9.547 ( 3.211 -3.456 5.201) 7.022 9.920 ( -1.750 -4.761 4.191) 6.580 10.476 ( 0.875 3.472 0.347) 3.597 10.607 ( 1.182 3.989 -0.349) 4.175 10.822 ( -1.310 -0.606 8.491) 8.613 11.054 ( -8.961 0.525 -3.107) 9.499 11.201 ( 1.148 -5.480 -7.458) 9.325 11.339 ( 16.623 0.569 -2.324) 16.795 14.207 ( 1.721 3.791 2.012) 4.624 14.424 ( -1.737 -2.883 -1.809) 3.821 ======================= Grid point 490 (248/275) ======================= q-point: (-0.22 -0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -7.784 -0.000 -2.729) 8.248 2.530 ( -6.782 -0.000 12.119) 13.888 2.811 ( 3.649 0.000 3.151) 4.821 3.091 ( 16.906 0.000 13.088) 21.380 3.169 ( -14.201 -0.000 -11.476) 18.258 3.308 ( 0.718 0.000 -14.540) 14.557 4.176 ( 4.771 0.000 1.173) 4.913 4.370 ( -11.076 -0.000 1.760) 11.215 4.872 ( 3.281 0.000 -4.525) 5.590 5.279 ( 14.335 0.000 2.793) 14.604 5.299 ( -7.736 -0.000 8.814) 11.727 5.794 ( 0.189 0.000 -0.772) 0.795 6.014 ( 21.959 0.000 2.931) 22.153 6.142 ( 7.389 0.000 2.531) 7.810 6.760 ( 3.548 0.000 -0.821) 3.642 6.917 ( -15.723 -0.000 -7.325) 17.346 7.324 ( 11.075 0.000 3.655) 11.662 7.558 ( -8.602 -0.000 0.678) 8.629 8.155 ( -9.666 -0.000 -2.249) 9.924 8.377 ( -5.423 -0.000 2.873) 6.137 8.554 ( -9.352 -0.000 0.525) 9.367 8.930 ( -15.946 -0.000 -7.882) 17.788 9.304 ( 3.021 0.000 4.252) 5.216 9.528 ( 3.050 0.000 5.846) 6.593 9.861 ( -2.920 -0.000 5.434) 6.169 10.528 ( 1.332 0.000 -1.215) 1.803 10.650 ( 4.031 0.000 -0.846) 4.119 10.805 ( -2.889 -0.000 10.783) 11.163 11.084 ( -13.707 -0.000 -3.786) 14.220 11.113 ( 6.224 0.000 -4.373) 7.607 11.348 ( 16.535 0.000 -3.222) 16.846 14.274 ( 3.916 0.000 5.686) 6.904 14.368 ( -3.894 -0.000 -6.017) 7.167 ======================= Grid point 491 (249/275) ======================= q-point: (-0.11 -0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 486 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -6.960 -0.398 1.373) 7.105 2.453 ( -7.370 -0.279 14.660) 16.411 2.842 ( 2.147 4.342 0.513) 4.871 2.919 ( -10.615 0.587 -12.709) 16.569 3.318 ( 2.518 -0.727 -7.726) 8.158 3.409 ( 16.693 0.143 12.713) 20.983 4.115 ( -18.607 0.418 0.371) 18.615 4.305 ( 8.783 -2.179 -2.811) 9.476 4.793 ( -7.127 0.419 -6.002) 9.327 5.177 ( -7.037 1.749 13.303) 15.151 5.554 ( 12.908 0.173 8.037) 15.207 5.849 ( 9.723 5.807 -1.454) 11.418 6.301 ( 13.676 2.005 0.072) 13.823 6.412 ( 20.293 -4.586 1.545) 20.862 6.616 ( -12.370 5.081 -7.908) 15.536 6.837 ( 3.566 -2.281 -1.329) 4.437 7.309 ( -8.823 9.322 2.959) 13.172 7.574 ( 1.221 -13.648 4.004) 14.275 8.005 ( -8.536 -3.492 -4.021) 10.061 8.269 ( -7.829 4.511 4.818) 10.240 8.398 ( -10.029 -1.130 -2.525) 10.404 8.639 ( -16.258 -0.258 -4.915) 16.987 9.383 ( 3.699 -1.427 3.837) 5.517 9.590 ( 2.780 -0.194 3.715) 4.643 9.840 ( -3.848 -3.944 5.497) 7.784 10.502 ( -2.043 3.483 -0.357) 4.053 10.654 ( -1.207 1.373 1.367) 2.282 10.808 ( -0.683 -0.689 5.892) 5.972 10.885 ( -8.695 0.944 -5.306) 10.230 11.203 ( 3.818 -2.309 -1.287) 4.644 11.600 ( 15.158 0.332 -2.968) 15.449 14.252 ( -2.063 4.348 -5.192) 7.079 14.373 ( 0.921 -3.876 2.375) 4.639 ======================= Grid point 500 (250/275) ======================= q-point: (-0.11 -0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -3.309 -0.000 6.563) 7.350 2.381 ( -6.821 -0.000 17.474) 18.758 2.731 ( -7.400 -0.000 -12.177) 14.249 2.911 ( 1.069 0.000 2.548) 2.763 3.331 ( 3.242 0.000 -14.232) 14.597 3.593 ( -7.231 -0.000 11.215) 13.344 3.886 ( -0.388 -0.000 1.391) 1.444 4.469 ( 13.785 0.000 -2.075) 13.940 4.661 ( -7.134 -0.000 -6.391) 9.577 5.119 ( -5.531 -0.000 15.073) 16.056 5.770 ( 9.003 0.000 10.034) 13.481 6.041 ( 7.572 0.000 1.406) 7.702 6.420 ( -2.129 -0.000 -7.863) 8.146 6.544 ( 8.818 0.000 -2.765) 9.241 6.673 ( 10.603 0.000 1.563) 10.718 6.923 ( 11.123 0.000 -2.691) 11.444 7.179 ( -15.581 -0.000 3.542) 15.978 7.476 ( -4.828 -0.000 5.140) 7.052 7.877 ( -2.935 -0.000 -4.850) 5.669 8.200 ( -5.988 -0.000 4.608) 7.556 8.226 ( -8.542 -0.000 -3.084) 9.082 8.344 ( -17.195 -0.000 -3.333) 17.515 9.451 ( 4.385 0.000 2.579) 5.087 9.648 ( 3.157 0.000 1.406) 3.456 9.760 ( -4.262 -0.000 4.965) 6.544 10.485 ( -2.730 -0.000 -0.161) 2.735 10.595 ( -5.764 -0.000 4.677) 7.423 10.781 ( -3.539 -0.000 -6.489) 7.391 10.831 ( 1.841 0.000 0.343) 1.873 11.245 ( 1.588 0.000 5.372) 5.601 11.796 ( 10.062 0.000 -3.619) 10.693 14.205 ( -2.639 -0.000 -10.542) 10.867 14.390 ( 1.336 0.000 5.494) 5.654 ======================= Grid point 501 (251/275) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 3.121 ( 0.000 0.000 0.000) 0.000 3.334 ( -0.000 -0.000 0.000) 0.000 4.168 ( -0.000 -0.000 0.000) 0.000 4.427 ( -0.000 -0.000 0.000) 0.000 4.880 ( -0.000 -0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 6.058 ( -0.000 -0.000 0.000) 0.000 6.622 ( 0.000 0.000 -0.000) 0.000 6.692 ( -0.000 -0.000 0.000) 0.000 6.793 ( -0.000 -0.000 0.000) 0.000 6.831 ( -0.000 -0.000 0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.323 ( -0.000 -0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 8.111 ( -0.000 -0.000 0.000) 0.000 8.200 ( -0.000 -0.000 0.000) 0.000 9.581 ( -0.000 -0.000 0.000) 0.000 9.704 ( 0.000 0.000 0.000) 0.000 9.733 ( -0.000 -0.000 0.000) 0.000 10.430 ( -0.000 -0.000 0.000) 0.000 10.547 ( -0.000 -0.000 0.000) 0.000 10.646 ( 0.000 0.000 0.000) 0.000 10.819 ( 0.000 0.000 0.000) 0.000 11.407 ( -0.000 -0.000 0.000) 0.000 11.888 ( -0.000 -0.000 0.000) 0.000 13.999 ( 0.000 0.000 0.000) 0.000 14.481 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 503 (252/275) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -4.511 1.063 -7.975) 9.224 2.430 ( 1.276 0.815 2.375) 2.816 2.625 ( 0.494 0.467 -0.011) 0.680 2.802 ( 7.131 2.624 5.727) 9.514 3.069 ( 4.694 6.676 1.707) 8.338 3.458 ( 6.317 -8.812 1.838) 10.997 4.138 ( -3.198 0.396 -6.232) 7.016 4.460 ( 4.588 0.863 1.502) 4.904 4.707 ( -17.523 -1.078 1.123) 17.592 5.247 ( 5.047 0.050 -2.426) 5.600 5.834 ( 3.416 16.133 1.813) 16.590 6.147 ( -2.607 -10.474 -1.665) 10.921 6.329 ( -16.109 7.052 6.777) 18.846 6.642 ( -5.273 5.689 0.333) 7.764 6.778 ( -3.497 -0.437 2.278) 4.197 6.977 ( 15.316 6.497 -4.870) 17.336 7.109 ( -12.471 -5.848 0.859) 13.801 7.452 ( 9.301 -6.655 2.142) 11.636 7.827 ( -1.676 -8.306 2.189) 8.751 7.973 ( 5.479 -3.154 3.262) 7.114 8.150 ( 7.820 4.366 -4.572) 10.056 8.276 ( 6.486 -5.737 -3.754) 9.438 9.568 ( -2.848 -1.545 -1.471) 3.559 9.671 ( 1.291 2.820 -1.830) 3.601 9.813 ( 3.661 -5.477 -2.037) 6.896 10.411 ( 0.930 4.428 1.545) 4.781 10.572 ( -0.609 -3.198 4.291) 5.386 10.655 ( 1.383 -0.016 0.356) 1.428 10.841 ( 3.031 -0.112 -3.056) 4.306 11.350 ( -3.865 4.822 1.651) 6.397 11.861 ( -3.284 0.256 -0.570) 3.343 14.010 ( 1.485 0.535 1.726) 2.339 14.483 ( -0.248 -0.946 -0.926) 1.347 ======================= Grid point 504 (253/275) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -1.035 -0.075 -6.478) 6.561 2.470 ( 5.500 2.811 4.193) 7.466 2.628 ( -0.066 0.316 3.082) 3.099 2.767 ( -1.202 8.070 2.317) 8.481 3.217 ( 7.937 -6.312 1.679) 10.279 3.714 ( 17.440 -2.511 3.360) 17.937 3.979 ( -12.720 2.866 -11.053) 17.093 4.457 ( -11.421 -0.704 1.069) 11.493 4.573 ( 6.753 -1.581 1.624) 7.123 5.281 ( 0.812 1.932 -2.338) 3.140 5.714 ( -1.513 10.601 2.735) 11.052 5.897 ( -15.350 11.590 3.604) 19.569 6.285 ( 2.810 4.348 -1.217) 5.318 6.516 ( -8.319 -6.354 3.407) 11.008 6.705 ( -9.967 -3.425 3.880) 11.230 6.945 ( -9.032 -0.431 -1.284) 9.133 7.112 ( 10.797 6.349 -3.040) 12.889 7.712 ( 11.835 -6.379 2.115) 13.610 7.895 ( -3.641 -10.313 3.943) 11.626 8.124 ( 5.986 -4.438 2.708) 7.928 8.244 ( 9.889 0.425 -6.078) 11.616 8.476 ( 10.679 -5.240 -2.936) 12.252 9.517 ( -2.500 1.350 -2.825) 4.007 9.675 ( -0.367 -2.329 -2.187) 3.216 9.936 ( 5.008 -5.085 -3.851) 8.110 10.394 ( 2.728 4.637 2.168) 5.801 10.600 ( -0.272 -0.652 6.158) 6.199 10.693 ( 2.633 -0.558 -0.128) 2.694 10.895 ( 4.652 -0.318 -5.098) 6.909 11.215 ( -5.305 6.546 4.380) 9.497 11.767 ( -7.913 0.421 -1.135) 8.005 14.046 ( 3.186 1.081 2.891) 4.436 14.485 ( -0.879 -1.669 -1.551) 2.442 ======================= Grid point 505 (254/275) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 1.543 -1.220 -3.250) 3.799 2.553 ( 6.432 5.106 3.800) 9.049 2.637 ( 0.626 1.549 7.689) 7.869 2.711 ( 3.196 1.534 0.041) 3.546 3.382 ( 0.626 -10.137 2.021) 10.356 3.637 ( -19.050 3.863 -12.646) 23.189 4.056 ( 21.397 1.331 3.097) 21.661 4.348 ( -3.740 -1.179 -1.982) 4.394 4.722 ( 8.180 -1.301 0.529) 8.300 5.196 ( -4.721 8.031 -0.926) 9.361 5.573 ( -5.935 11.830 3.375) 13.659 5.628 ( -5.631 -1.206 2.532) 6.291 6.175 ( -5.531 9.213 -1.347) 10.830 6.486 ( -8.493 -2.579 4.845) 10.112 6.619 ( -6.127 -11.245 1.840) 12.938 6.844 ( -3.535 0.634 -2.512) 4.383 7.192 ( 7.957 5.468 -1.894) 9.839 7.920 ( 10.244 2.544 0.488) 10.567 7.943 ( -4.491 -8.737 3.284) 10.359 8.285 ( 5.370 -9.504 0.535) 10.929 8.410 ( 9.353 -2.291 -2.424) 9.930 8.667 ( 7.277 -2.849 -0.271) 7.820 9.455 ( -0.934 2.645 -3.896) 4.800 9.685 ( -2.151 -3.873 -0.812) 4.504 10.032 ( 2.444 -2.772 -3.741) 5.259 10.410 ( 3.066 2.503 0.619) 4.006 10.592 ( -1.743 2.871 2.151) 3.989 10.768 ( 8.676 1.301 0.281) 8.778 10.960 ( 3.468 -0.818 -2.122) 4.147 11.109 ( -2.312 2.849 5.740) 6.812 11.591 ( -12.854 0.462 -1.843) 12.994 14.100 ( 3.921 1.368 2.908) 5.070 14.480 ( -1.513 -1.828 -1.617) 2.871 ======================= Grid point 506 (255/275) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 1.045 -0.771 -0.811) 1.531 2.560 ( 0.145 1.884 2.629) 3.237 2.648 ( 1.444 1.295 -1.010) 2.187 2.874 ( 13.054 -0.659 8.860) 15.791 3.242 ( -18.676 0.811 -9.126) 20.802 3.494 ( 0.517 -3.731 -0.430) 3.791 4.254 ( 1.723 0.902 1.418) 2.407 4.410 ( 9.894 -1.834 -2.294) 10.321 4.812 ( 1.580 1.487 -0.458) 2.217 5.024 ( -4.237 4.377 0.502) 6.113 5.398 ( -3.662 4.587 1.426) 6.040 5.695 ( 7.973 -3.666 1.910) 8.981 5.935 ( -13.890 3.830 -0.759) 14.428 6.404 ( -2.049 1.142 1.323) 2.693 6.693 ( -0.441 -8.085 1.797) 8.294 6.777 ( -1.744 3.321 -2.168) 4.333 7.237 ( 2.903 2.017 -0.647) 3.594 7.957 ( -1.621 -2.538 1.151) 3.223 8.000 ( 3.439 1.871 -0.277) 3.925 8.461 ( 2.526 -7.135 0.522) 7.587 8.541 ( 5.216 -0.484 -0.822) 5.302 8.745 ( 0.828 0.141 0.786) 1.151 9.422 ( 0.571 1.444 -2.252) 2.736 9.685 ( -1.631 -2.224 0.210) 2.766 10.057 ( 0.309 -0.250 -1.600) 1.649 10.426 ( 0.899 0.641 -0.138) 1.112 10.524 ( -1.552 2.373 -0.284) 2.849 10.925 ( 10.863 2.114 -4.318) 11.880 10.991 ( -2.668 -1.399 7.807) 8.368 11.135 ( 6.680 -0.740 0.899) 6.781 11.352 ( -14.514 0.642 -2.392) 14.724 14.145 ( 1.951 0.721 1.305) 2.456 14.471 ( -0.912 -0.884 -0.767) 1.484 ======================= Grid point 512 (256/275) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -1.760 -0.000 -7.605) 7.806 2.500 ( 5.098 0.000 7.684) 9.222 2.639 ( 1.010 0.000 -0.705) 1.231 2.904 ( 0.234 0.000 3.214) 3.222 3.095 ( -1.875 -0.000 4.549) 4.920 3.697 ( 24.451 0.000 1.812) 24.518 4.011 ( -11.683 -0.000 -11.509) 16.399 4.437 ( -13.512 -0.000 1.356) 13.580 4.564 ( 6.885 0.000 3.114) 7.557 5.292 ( 2.207 0.000 -2.569) 3.387 5.885 ( -10.870 -0.000 -2.053) 11.062 6.030 ( -12.133 -0.000 2.586) 12.406 6.235 ( 6.045 0.000 8.426) 10.370 6.555 ( -7.536 -0.000 -1.881) 7.768 6.629 ( -15.317 -0.000 5.989) 16.446 6.896 ( -8.606 -0.000 -0.079) 8.606 7.261 ( 14.128 0.000 -4.560) 14.846 7.541 ( 6.580 0.000 -0.246) 6.584 7.771 ( -0.162 -0.000 5.394) 5.396 8.110 ( 10.631 0.000 5.349) 11.901 8.302 ( 6.117 0.000 -5.334) 8.116 8.389 ( 15.201 0.000 -4.695) 15.909 9.507 ( -2.840 -0.000 -3.075) 4.186 9.681 ( -0.832 -0.000 -2.491) 2.626 9.862 ( 6.593 0.000 -5.093) 8.331 10.474 ( 2.995 0.000 1.360) 3.289 10.559 ( -0.500 -0.000 7.209) 7.226 10.688 ( 2.931 0.000 2.287) 3.718 10.890 ( 4.031 0.000 -4.512) 6.050 11.292 ( -6.704 -0.000 1.944) 6.980 11.772 ( -7.895 -0.000 -1.500) 8.037 14.062 ( 3.741 0.000 3.264) 4.965 14.463 ( -1.206 -0.000 -1.825) 2.188 ======================= Grid point 513 (257/275) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 1.716 -0.365 -3.590) 3.996 2.639 ( 5.762 -0.260 11.256) 12.648 2.649 ( 5.188 2.877 0.459) 5.950 2.830 ( -2.390 7.217 2.063) 7.877 3.148 ( -0.990 -9.838 4.404) 10.824 3.695 ( -21.162 1.374 -10.624) 23.719 4.098 ( 23.770 1.669 -0.162) 23.829 4.310 ( -4.187 -1.453 -2.794) 5.240 4.695 ( 7.468 -0.984 3.472) 8.294 5.312 ( 1.404 2.584 -1.227) 3.186 5.638 ( -15.710 1.602 -1.107) 15.830 5.786 ( -11.160 6.434 4.578) 13.671 6.295 ( -15.182 0.848 2.965) 15.492 6.386 ( -10.757 -8.125 4.315) 14.154 6.518 ( 9.403 6.120 -0.109) 11.220 6.825 ( -3.410 -2.910 0.262) 4.491 7.361 ( 6.787 9.684 -1.945) 11.985 7.639 ( -3.615 -13.117 -2.249) 13.790 7.897 ( 10.168 -4.590 7.046) 13.195 8.288 ( 10.116 4.056 4.129) 11.655 8.382 ( 7.424 -0.571 -3.261) 8.129 8.630 ( 13.738 -0.569 -2.695) 14.011 9.462 ( -2.404 -1.683 -4.256) 5.170 9.651 ( -1.159 0.832 -2.926) 3.255 9.955 ( 4.060 -2.937 -5.725) 7.608 10.494 ( 2.459 4.525 1.299) 5.311 10.594 ( -0.508 -2.356 4.820) 5.389 10.784 ( 9.072 0.458 4.032) 9.938 10.932 ( 1.485 -1.127 -2.343) 2.994 11.175 ( -5.652 2.195 0.486) 6.083 11.599 ( -12.630 0.228 -2.857) 12.951 14.140 ( 5.418 1.660 3.875) 6.865 14.435 ( -2.518 -1.711 -2.255) 3.788 ======================= Grid point 514 (258/275) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 3.109 0.001 0.227) 3.117 2.621 ( -1.508 3.269 3.892) 5.302 2.732 ( 0.840 5.798 -2.488) 6.365 2.877 ( 13.920 0.773 13.829) 19.637 3.213 ( -11.413 -4.704 -0.156) 12.345 3.363 ( -8.699 -5.380 -5.057) 11.410 4.262 ( -0.315 -0.882 -5.378) 5.459 4.399 ( 13.376 1.118 -1.507) 13.507 4.805 ( 1.303 -1.407 1.610) 2.504 5.164 ( -11.390 7.789 0.889) 13.827 5.412 ( -14.423 -2.850 3.786) 15.182 5.703 ( 8.893 3.593 1.482) 9.705 6.010 ( -15.596 2.223 1.471) 15.822 6.317 ( -7.096 -7.404 -4.666) 11.267 6.647 ( 8.814 3.798 4.314) 10.522 6.834 ( 2.876 0.899 0.586) 3.070 7.313 ( -2.082 4.343 0.431) 4.836 7.695 ( -4.704 -10.876 -0.937) 11.887 8.141 ( 10.704 -2.216 3.558) 11.496 8.359 ( 5.274 2.389 1.325) 5.940 8.535 ( 8.336 -0.997 1.660) 8.558 8.788 ( 8.116 3.926 -0.392) 9.024 9.452 ( 0.634 -1.332 -4.695) 4.921 9.612 ( -2.832 -1.405 -1.529) 3.511 10.012 ( 0.718 -3.240 -4.490) 5.584 10.478 ( 0.747 3.663 0.907) 3.847 10.574 ( -3.285 1.428 0.982) 3.714 10.929 ( -0.864 -2.123 5.611) 6.061 10.987 ( 8.556 1.807 1.572) 8.885 11.113 ( 2.011 -1.325 -2.717) 3.631 11.368 ( -12.992 0.796 -5.184) 14.011 14.196 ( 3.175 3.694 1.975) 5.256 14.421 ( -1.517 -3.469 -0.847) 3.880 ======================= Grid point 515 (259/275) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 1.029 1.514 2.142) 2.817 2.557 ( -3.777 1.825 0.688) 4.251 2.687 ( 0.588 4.415 -2.361) 5.042 2.896 ( -14.003 1.099 -4.001) 14.605 3.208 ( 15.585 -2.049 13.669) 20.831 3.460 ( 3.943 -6.217 1.451) 7.504 4.248 ( -0.738 -0.303 -7.529) 7.572 4.454 ( -9.630 2.395 1.823) 10.089 4.742 ( -4.832 -4.811 -2.196) 7.164 4.999 ( -2.847 2.100 3.659) 5.089 5.286 ( -6.158 -4.446 3.666) 8.434 5.788 ( -8.091 2.807 -1.558) 8.705 5.878 ( 9.626 -1.240 0.574) 9.723 6.333 ( 5.081 -3.621 -6.573) 9.063 6.713 ( 0.026 -1.935 1.911) 2.720 6.888 ( 8.252 8.091 2.071) 11.741 7.226 ( -5.819 -0.089 3.047) 6.569 7.717 ( -5.609 -9.300 -0.619) 10.878 8.225 ( 4.353 7.817 -1.210) 9.029 8.465 ( 4.002 -3.310 3.003) 5.999 8.633 ( 3.835 3.996 3.601) 6.607 8.804 ( 2.354 6.802 -1.105) 7.282 9.445 ( -0.169 3.206 -1.543) 3.562 9.634 ( 1.211 -6.779 0.018) 6.886 10.027 ( -1.086 -2.475 -2.870) 3.942 10.449 ( -0.638 2.024 0.089) 2.124 10.505 ( -2.970 0.747 0.794) 3.164 10.882 ( -10.636 -1.809 6.876) 12.794 10.985 ( -3.247 -1.873 -2.641) 4.585 11.165 ( -3.755 2.342 -8.243) 9.356 11.335 ( 14.891 -1.130 0.443) 14.940 14.169 ( -1.606 2.831 -1.241) 3.484 14.456 ( 1.251 -2.192 1.387) 2.880 ======================= Grid point 516 (260/275) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -2.699 1.544 2.875) 4.235 2.468 ( -6.272 -2.123 -4.546) 8.032 2.636 ( -0.474 3.167 -1.252) 3.438 2.728 ( -4.644 1.264 -1.871) 5.164 3.473 ( -1.934 -4.211 9.694) 10.744 3.599 ( 17.202 2.836 5.789) 18.371 4.057 ( -18.952 0.673 -5.076) 19.631 4.328 ( 0.120 -2.907 -0.918) 3.051 4.748 ( -2.940 0.583 1.400) 3.308 5.018 ( 2.523 -6.746 1.675) 7.394 5.330 ( 1.189 -9.852 -0.300) 9.928 5.675 ( -2.639 2.018 -2.761) 4.320 6.005 ( 2.684 -6.126 0.122) 6.689 6.519 ( 15.485 -0.053 -6.188) 16.676 6.716 ( -1.344 -1.302 -1.336) 2.300 6.890 ( -2.950 2.047 3.303) 4.878 7.171 ( 1.138 4.762 5.334) 7.240 7.713 ( -6.359 -8.544 -1.310) 10.731 8.169 ( 0.449 7.338 -3.250) 8.038 8.491 ( -1.305 4.736 2.697) 5.604 8.569 ( -0.327 13.630 4.400) 14.326 8.743 ( -2.579 4.811 -2.037) 5.826 9.417 ( 0.337 0.335 2.100) 2.153 9.734 ( 3.940 -1.137 0.236) 4.108 10.029 ( -1.539 -2.785 0.035) 3.182 10.405 ( -3.639 1.509 1.384) 4.175 10.495 ( -0.398 -4.988 -2.096) 5.425 10.726 ( -10.037 -2.296 2.787) 10.667 10.948 ( -5.016 -1.960 5.436) 7.652 11.091 ( 0.231 1.199 -13.329) 13.384 11.579 ( 12.996 -0.699 0.738) 13.036 14.100 ( -3.035 1.456 -2.492) 4.188 14.497 ( 1.335 -0.393 1.733) 2.223 ======================= Grid point 517 (261/275) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -2.701 -1.527 3.408) 4.608 2.404 ( -3.249 -2.318 -1.517) 4.269 2.626 ( 2.044 -0.727 -6.667) 7.011 2.665 ( -2.637 0.279 2.293) 3.506 3.284 ( -21.134 0.290 2.547) 21.289 3.797 ( -4.451 1.211 -5.946) 7.526 3.929 ( 13.923 1.642 10.469) 17.497 4.411 ( 3.343 -4.769 -0.483) 5.844 4.660 ( -0.615 5.772 0.882) 5.871 5.168 ( 2.247 -8.599 2.152) 9.145 5.487 ( -1.270 -12.304 -5.248) 13.436 5.671 ( 6.062 -6.143 -1.869) 8.830 6.141 ( 6.016 -6.450 1.523) 8.951 6.646 ( -0.566 0.643 -5.570) 5.635 6.750 ( 0.803 0.703 0.660) 1.255 6.807 ( -5.133 -8.637 0.566) 10.063 7.183 ( 8.297 10.256 5.542) 14.309 7.682 ( -5.632 -4.213 -3.758) 7.975 8.080 ( -1.689 4.800 -4.735) 6.951 8.362 ( -3.699 11.849 6.440) 13.984 8.402 ( -0.369 17.519 0.824) 17.542 8.592 ( -8.085 5.826 0.490) 9.978 9.460 ( 2.128 -2.324 2.330) 3.919 9.763 ( 1.893 4.084 0.721) 4.559 10.014 ( -2.812 0.997 1.869) 3.520 10.324 ( -4.785 -1.471 -1.166) 5.140 10.554 ( 0.928 -4.934 -5.767) 7.646 10.674 ( -2.923 -3.588 6.691) 8.136 10.895 ( -4.893 -0.370 6.495) 8.140 11.078 ( 1.392 -4.207 -12.369) 13.139 11.756 ( 7.935 -0.630 0.412) 7.971 14.038 ( -2.323 0.657 -2.428) 3.424 14.514 ( 0.558 0.700 1.358) 1.626 ======================= Grid point 518 (262/275) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.796 -4.440 3.571) 5.753 2.407 ( 1.161 -0.826 3.235) 3.535 2.619 ( -1.023 0.245 -1.576) 1.895 2.695 ( 1.237 -5.928 -5.953) 8.492 2.946 ( -19.889 -3.632 0.339) 20.221 3.684 ( 0.020 10.313 -2.846) 10.699 4.120 ( 5.740 -0.817 5.655) 8.099 4.427 ( -5.051 -2.365 0.229) 5.582 4.753 ( 16.652 3.071 -0.224) 16.934 5.218 ( -5.727 -3.150 2.237) 6.908 5.508 ( -5.714 -13.761 -3.999) 15.427 6.012 ( 17.721 -14.830 -2.982) 23.299 6.312 ( 6.979 -1.448 3.095) 7.770 6.569 ( -6.899 -1.524 -4.740) 8.508 6.652 ( -12.250 -10.592 3.165) 16.501 6.888 ( 1.987 -1.327 -1.110) 2.635 7.253 ( 9.832 6.835 4.299) 12.723 7.578 ( -5.557 5.148 -6.546) 10.012 8.011 ( -0.062 2.323 -3.194) 3.950 8.181 ( -3.932 13.889 2.864) 14.717 8.206 ( -0.904 16.802 2.280) 16.980 8.401 ( -7.021 5.997 2.450) 9.553 9.528 ( 1.800 -3.420 1.164) 4.036 9.726 ( -0.278 5.543 1.467) 5.741 9.933 ( -2.744 4.980 0.987) 5.771 10.306 ( -1.438 -4.628 -1.465) 5.063 10.593 ( 1.527 -2.133 -4.392) 5.116 10.669 ( -2.346 0.503 2.583) 3.525 10.847 ( -2.758 0.502 4.149) 5.007 11.170 ( 2.237 -10.634 -4.843) 11.897 11.851 ( 3.326 -0.592 0.238) 3.387 14.001 ( -1.098 0.086 -1.492) 1.855 14.511 ( 0.087 1.245 0.770) 1.466 ======================= Grid point 519 (263/275) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.000 -5.070 0.000) 5.070 2.440 ( 0.000 1.454 0.000) 1.454 2.608 ( -0.000 -1.589 0.000) 1.589 2.687 ( 0.000 0.083 0.000) 0.083 2.894 ( -0.000 -13.047 0.000) 13.047 3.555 ( -0.000 12.964 0.000) 12.964 4.171 ( -0.000 0.149 0.000) 0.149 4.402 ( -0.000 -1.935 0.000) 1.935 4.921 ( -0.000 3.936 -0.000) 3.936 5.151 ( 0.000 -3.773 0.000) 3.773 5.618 ( 0.000 -16.002 0.000) 16.002 6.302 ( 0.000 11.009 0.000) 11.009 6.434 ( 0.000 -14.878 -0.000) 14.878 6.484 ( -0.000 -11.603 0.000) 11.603 6.681 ( -0.000 -10.716 0.000) 10.716 6.890 ( -0.000 2.577 0.000) 2.577 7.348 ( 0.000 0.216 0.000) 0.216 7.376 ( -0.000 13.126 -0.000) 13.126 7.977 ( 0.000 15.554 0.000) 15.554 8.001 ( -0.000 7.299 0.000) 7.299 8.059 ( -0.000 1.981 0.000) 1.981 8.287 ( -0.000 5.476 0.000) 5.476 9.593 ( -0.000 -5.052 0.000) 5.052 9.657 ( -0.000 6.036 0.000) 6.036 9.852 ( 0.000 5.899 0.000) 5.899 10.349 ( -0.000 -5.266 0.000) 5.266 10.615 ( 0.000 3.847 -0.000) 3.847 10.631 ( -0.000 -1.640 0.000) 1.640 10.823 ( 0.000 0.507 0.000) 0.507 11.299 ( -0.000 -9.604 0.000) 9.604 11.883 ( -0.000 -0.464 0.000) 0.464 13.992 ( 0.000 -0.378 0.000) 0.378 14.498 ( -0.000 1.330 0.000) 1.330 ======================= Grid point 523 (264/275) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 3.902 0.000 0.575) 3.944 2.663 ( 0.356 0.000 2.040) 2.071 2.826 ( -4.134 -0.000 1.824) 4.519 2.890 ( 14.079 0.000 14.972) 20.552 3.111 ( 3.483 0.000 2.744) 4.435 3.316 ( -22.215 -0.000 -8.308) 23.717 4.244 ( -0.778 -0.000 -6.442) 6.489 4.420 ( 13.823 0.000 -2.728) 14.090 4.785 ( 1.158 0.000 3.703) 3.879 5.297 ( -23.042 -0.000 0.035) 23.042 5.337 ( -3.914 -0.000 2.988) 4.924 5.760 ( 3.941 0.000 2.612) 4.728 6.019 ( -18.268 -0.000 2.618) 18.455 6.224 ( -1.927 -0.000 -3.717) 4.187 6.745 ( -3.635 -0.000 0.963) 3.760 6.805 ( 16.185 0.000 3.381) 16.534 7.374 ( -12.842 -0.000 -1.100) 12.889 7.564 ( 5.808 0.000 0.007) 5.808 8.077 ( 12.412 0.000 6.059) 13.812 8.421 ( 1.525 0.000 -1.599) 2.209 8.511 ( 10.769 0.000 4.699) 11.749 8.855 ( 13.442 0.000 -0.416) 13.449 9.399 ( -2.026 -0.000 -5.254) 5.631 9.625 ( -1.883 -0.000 -3.938) 4.365 9.966 ( 1.126 0.000 -4.675) 4.808 10.541 ( -0.576 -0.000 -2.569) 2.632 10.574 ( -1.734 -0.000 6.232) 6.469 10.899 ( -4.412 -0.000 5.235) 6.846 11.011 ( 16.501 0.000 3.455) 16.858 11.095 ( -5.597 -0.000 -4.963) 7.481 11.378 ( -12.047 -0.000 -6.521) 13.698 14.261 ( 6.351 0.000 4.242) 7.637 14.359 ( -4.459 -0.000 -2.871) 5.303 ======================= Grid point 524 (265/275) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 1.862 0.628 3.024) 3.607 2.635 ( -3.590 4.761 2.242) 6.371 2.746 ( -4.483 -1.228 -0.900) 4.735 2.956 ( -11.412 5.894 -2.762) 13.138 3.143 ( 6.322 -5.098 12.936) 15.274 3.318 ( 16.258 -4.344 3.488) 17.186 4.229 ( 0.419 -0.944 -8.101) 8.166 4.521 ( -10.715 3.929 -0.716) 11.435 4.624 ( -11.096 -5.609 -2.496) 12.681 5.076 ( -2.690 3.166 5.186) 6.645 5.234 ( -8.709 -0.541 6.780) 11.050 5.784 ( -11.386 -1.768 -0.809) 11.551 5.863 ( 4.090 -0.525 -0.230) 4.130 6.298 ( 12.938 -0.005 -7.071) 14.744 6.689 ( -3.240 -0.497 1.158) 3.476 7.029 ( 8.304 5.606 2.837) 10.414 7.172 ( -9.526 -4.832 1.980) 10.864 7.630 ( 1.558 -0.147 1.445) 2.130 8.280 ( 7.526 -1.169 0.409) 7.627 8.432 ( 2.726 0.603 3.968) 4.852 8.674 ( 7.743 0.524 3.426) 8.484 8.995 ( 7.944 8.421 2.173) 11.779 9.410 ( 1.587 -7.412 -4.265) 8.697 9.564 ( -2.764 2.263 -3.531) 5.023 9.970 ( -0.731 -2.192 -3.119) 3.882 10.491 ( -2.971 1.572 -2.649) 4.280 10.532 ( -4.605 0.959 2.514) 5.334 10.843 ( -7.847 -1.591 9.999) 12.810 10.948 ( -9.199 -0.955 -2.978) 9.716 11.218 ( -2.441 1.973 -11.710) 12.123 11.306 ( 16.196 -1.292 0.513) 16.255 14.248 ( -3.248 3.785 -1.940) 5.351 14.389 ( 3.281 -3.421 2.582) 5.398 ======================= Grid point 525 (266/275) ======================= q-point: (-0.56 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -6.999 0.064 2.316) 7.373 2.487 ( -5.548 3.676 -1.270) 6.776 2.716 ( -2.122 -1.413 -0.741) 2.655 2.781 ( -1.651 8.127 -0.783) 8.330 3.327 ( 2.523 -7.936 10.621) 13.497 3.661 ( 19.223 2.148 6.233) 20.322 4.041 ( -26.610 -1.908 -1.319) 26.711 4.259 ( -0.730 -3.038 -6.548) 7.255 4.697 ( 3.996 -4.534 -1.859) 6.323 4.998 ( -3.976 4.313 6.352) 8.646 5.178 ( -3.910 -4.609 3.934) 7.212 5.672 ( -5.492 -2.417 -1.788) 6.261 5.916 ( 2.618 -2.374 -2.067) 4.094 6.517 ( 13.505 0.883 -6.248) 14.906 6.666 ( -1.703 -3.436 -1.163) 4.007 6.864 ( -16.455 -1.857 2.027) 16.684 7.289 ( 11.055 2.843 5.648) 12.736 7.640 ( 0.956 1.593 1.389) 2.320 8.275 ( -2.720 3.221 -3.619) 5.556 8.551 ( 6.809 0.725 5.579) 8.832 8.742 ( 2.020 3.525 1.946) 4.505 8.956 ( 2.774 13.787 2.060) 14.213 9.481 ( 0.216 4.782 -1.382) 4.982 9.587 ( 5.406 -11.840 0.706) 13.035 9.969 ( -1.668 -2.348 -2.064) 3.543 10.416 ( -3.895 -1.187 -3.910) 5.645 10.439 ( -6.793 0.147 0.253) 6.799 10.686 ( -11.958 -1.260 3.301) 12.470 10.896 ( -3.349 -2.338 7.341) 8.401 11.133 ( -0.924 2.065 -15.007) 15.176 11.562 ( 13.405 -0.761 0.069) 13.427 14.151 ( -3.303 2.860 -2.404) 4.987 14.469 ( 2.123 -1.913 2.203) 3.608 ======================= Grid point 526 (267/275) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -9.498 -4.053 0.550) 10.341 2.410 ( -0.256 2.926 0.295) 2.952 2.684 ( -1.920 1.493 -1.072) 2.658 2.691 ( -0.019 5.765 -1.093) 5.868 3.271 ( -22.392 -0.868 6.128) 23.232 3.702 ( -1.178 -7.142 -2.528) 7.667 4.056 ( 15.901 5.987 7.740) 18.670 4.295 ( 1.644 -4.907 -3.179) 6.073 4.762 ( 1.377 2.089 2.117) 3.278 4.982 ( 1.023 -6.159 2.969) 6.913 5.220 ( -1.153 -10.935 -2.701) 11.322 5.623 ( -1.761 -0.370 -1.044) 2.080 6.023 ( 6.699 -4.860 -1.307) 8.379 6.579 ( -11.832 -7.984 -3.032) 14.592 6.600 ( -11.358 -4.257 2.131) 12.315 6.769 ( 4.821 -1.115 -2.344) 5.476 7.418 ( 9.795 8.140 5.844) 14.013 7.659 ( 5.068 3.292 -0.732) 6.088 8.162 ( -4.476 4.045 -4.289) 7.402 8.593 ( 2.260 7.901 3.854) 9.077 8.675 ( -3.912 5.753 0.695) 6.992 8.830 ( 1.604 17.493 2.390) 17.729 9.461 ( 2.689 2.889 0.635) 3.998 9.790 ( 5.837 -3.753 1.830) 7.177 9.966 ( -1.317 -3.795 0.529) 4.051 10.315 ( -7.854 -0.478 -2.023) 8.125 10.403 ( -1.535 -7.587 -4.940) 9.183 10.571 ( -7.578 -4.655 5.624) 10.523 10.884 ( -2.831 -0.491 8.053) 8.550 11.059 ( -0.874 1.244 -15.026) 15.102 11.742 ( 8.095 -0.648 -0.257) 8.125 14.074 ( -1.960 2.494 -2.120) 3.815 14.510 ( 0.717 -0.937 1.437) 1.859 ======================= Grid point 527 (268/275) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -3.887 -7.894 0.486) 8.812 2.410 ( 2.671 1.300 4.444) 5.346 2.622 ( -4.209 0.326 -1.280) 4.411 2.651 ( 1.741 2.276 -4.957) 5.726 2.911 ( -19.621 0.222 1.966) 19.720 3.786 ( 1.965 -2.604 -1.209) 3.479 4.180 ( 8.621 7.727 1.328) 11.653 4.357 ( -2.453 -3.702 3.634) 5.738 4.812 ( 9.649 1.620 2.287) 10.048 5.103 ( 0.901 -7.986 2.522) 8.423 5.275 ( -6.723 -8.051 -6.853) 12.529 5.722 ( 11.091 -10.348 -0.819) 15.191 6.215 ( 9.331 -6.373 0.099) 11.300 6.367 ( -21.290 -12.708 3.378) 25.023 6.546 ( -6.171 -3.179 -2.800) 7.485 6.832 ( 0.232 -4.023 -1.192) 4.202 7.452 ( 5.515 11.070 5.137) 13.393 7.712 ( 7.391 7.036 -3.981) 10.953 8.041 ( -4.104 2.775 -3.097) 5.842 8.495 ( -2.000 10.680 4.737) 11.853 8.533 ( -3.150 9.459 -1.096) 10.030 8.647 ( 0.698 21.290 1.634) 21.364 9.490 ( 2.257 0.499 0.756) 2.432 9.824 ( 0.182 3.195 0.194) 3.206 9.999 ( 0.177 0.671 1.798) 1.927 10.226 ( -3.708 -2.926 -1.929) 5.102 10.489 ( 1.447 -8.381 -5.929) 10.368 10.573 ( -4.100 -9.800 7.909) 13.244 10.863 ( -1.682 1.030 6.401) 6.698 11.011 ( -0.502 -2.302 -11.154) 11.400 11.838 ( 3.421 -0.622 -0.151) 3.480 14.024 ( -0.760 2.042 -1.285) 2.530 14.524 ( 0.055 -0.106 0.716) 0.726 ======================= Grid point 528 (269/275) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 0.000 -8.617 0.000) 8.617 2.473 ( 0.000 1.660 0.000) 1.660 2.553 ( -0.000 -3.158 0.000) 3.158 2.686 ( -0.000 -4.944 0.000) 4.944 2.717 ( 0.000 2.819 0.000) 2.819 3.780 ( 0.000 5.964 0.000) 5.964 4.194 ( 0.000 3.724 0.000) 3.724 4.354 ( -0.000 -2.669 0.000) 2.669 5.015 ( 0.000 -7.770 0.000) 7.770 5.046 ( -0.000 7.359 -0.000) 7.359 5.306 ( 0.000 -13.551 0.000) 13.551 6.073 ( 0.000 -17.945 0.000) 17.945 6.242 ( -0.000 -11.332 0.000) 11.332 6.443 ( -0.000 -11.018 -0.000) 11.018 6.446 ( 0.000 2.430 0.000) 2.430 6.875 ( -0.000 -4.037 0.000) 4.037 7.402 ( -0.000 7.579 0.000) 7.579 7.660 ( 0.000 12.733 0.000) 12.733 7.990 ( -0.000 -0.643 0.000) 0.643 8.347 ( -0.000 17.547 0.000) 17.547 8.405 ( -0.000 5.601 0.000) 5.601 8.419 ( -0.000 21.960 0.000) 21.960 9.516 ( -0.000 -1.757 0.000) 1.757 9.781 ( -0.000 4.628 0.000) 4.628 9.964 ( 0.000 4.465 0.000) 4.465 10.242 ( -0.000 -4.613 0.000) 4.613 10.561 ( 0.000 -5.202 -0.000) 5.202 10.640 ( -0.000 -4.006 0.000) 4.006 10.845 ( -0.000 1.462 0.000) 1.462 11.059 ( -0.000 -9.972 0.000) 9.972 11.870 ( -0.000 -0.626 0.000) 0.626 13.999 ( -0.000 1.231 0.000) 1.231 14.522 ( -0.000 0.630 0.000) 0.630 ======================= Grid point 534 (270/275) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -9.354 -0.000 2.358) 9.646 2.561 ( -6.622 -0.000 -0.608) 6.650 2.666 ( -1.035 -0.000 1.544) 1.858 2.918 ( -0.963 -0.000 -1.649) 1.909 3.203 ( 4.621 0.000 8.698) 9.850 3.683 ( 24.208 0.000 8.538) 25.669 4.019 ( -35.193 -0.000 -0.172) 35.194 4.218 ( 1.438 0.000 -8.005) 8.133 4.638 ( 4.518 0.000 -2.828) 5.330 5.096 ( -2.443 -0.000 5.253) 5.793 5.106 ( -8.958 -0.000 8.504) 12.352 5.625 ( -4.834 -0.000 -2.172) 5.300 5.894 ( 2.129 0.000 -2.869) 3.573 6.545 ( 15.396 0.000 -7.125) 16.965 6.607 ( -6.929 -0.000 -0.568) 6.953 6.848 ( -17.932 -0.000 1.997) 18.043 7.303 ( 11.893 0.000 4.424) 12.689 7.682 ( 4.073 0.000 2.933) 5.020 8.308 ( -1.580 -0.000 -3.993) 4.294 8.556 ( 8.847 0.000 8.423) 12.215 8.778 ( 2.916 0.000 1.368) 3.221 9.197 ( 7.585 0.000 8.292) 11.237 9.356 ( 1.741 0.000 -5.256) 5.537 9.551 ( 0.721 0.000 -4.062) 4.125 9.936 ( -1.158 -0.000 -1.091) 1.591 10.417 ( -5.855 -0.000 -3.285) 6.713 10.428 ( -8.687 -0.000 -2.370) 9.004 10.673 ( -12.675 -0.000 3.373) 13.116 10.869 ( -1.798 -0.000 8.216) 8.411 11.158 ( -1.426 -0.000 -15.188) 15.255 11.553 ( 13.760 0.000 -0.117) 13.761 14.190 ( -4.136 -0.000 -2.516) 4.841 14.441 ( 3.126 0.000 2.569) 4.046 ======================= Grid point 535 (271/275) ======================= q-point: (-0.56 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -13.609 -1.931 0.680) 13.762 2.498 ( -0.072 4.071 0.607) 4.116 2.656 ( -2.830 -2.385 -0.205) 3.706 2.873 ( 0.868 7.575 -0.648) 7.652 3.247 ( -13.727 -1.530 8.298) 16.114 3.551 ( -11.773 -5.383 -4.110) 13.582 4.131 ( 24.576 1.658 12.022) 27.409 4.231 ( 1.613 -1.498 -7.103) 7.437 4.720 ( 4.432 -2.965 -1.831) 5.638 4.973 ( -6.512 2.734 7.055) 9.982 5.055 ( -6.015 -4.680 0.826) 7.666 5.609 ( 0.828 -0.999 -0.969) 1.620 5.945 ( 4.576 -1.883 -2.908) 5.740 6.415 ( -19.910 -4.749 -1.676) 20.537 6.613 ( -4.559 3.689 0.180) 5.867 6.712 ( -0.067 -4.196 -1.824) 4.576 7.484 ( 10.186 0.324 2.269) 10.441 7.776 ( 9.080 4.319 2.772) 10.430 8.244 ( -3.166 2.603 -3.277) 5.247 8.693 ( 5.689 2.368 5.582) 8.315 8.756 ( -3.725 1.724 0.133) 4.107 9.197 ( 5.791 16.888 3.913) 18.277 9.544 ( 6.657 -6.322 -3.021) 9.665 9.565 ( 4.901 -5.447 4.099) 8.396 9.926 ( -0.847 -0.879 0.042) 1.221 10.275 ( -8.796 -1.939 -5.443) 10.524 10.309 ( -7.299 -1.726 -3.613) 8.325 10.501 ( -10.828 -1.704 2.954) 11.353 10.879 ( -0.778 -0.062 9.112) 9.146 11.089 ( -1.369 0.987 -14.261) 14.361 11.731 ( 8.361 -0.298 -0.662) 8.392 14.124 ( -2.198 1.569 -1.864) 3.282 14.487 ( 1.229 -0.889 1.506) 2.137 ======================= Grid point 536 (272/275) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 487 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -7.341 -5.972 0.205) 9.465 2.462 ( 0.541 3.325 2.488) 4.188 2.606 ( -6.180 -2.106 -3.157) 7.252 2.789 ( 0.768 9.395 -0.643) 9.448 2.943 ( -15.183 2.089 2.899) 15.598 3.637 ( 3.228 -9.234 0.041) 9.782 4.256 ( 1.084 -2.261 -4.830) 5.442 4.422 ( 12.296 10.183 9.659) 18.660 4.805 ( 1.917 -2.001 2.238) 3.562 4.933 ( -0.703 -5.977 2.776) 6.628 5.091 ( 2.736 -9.943 -5.377) 11.630 5.626 ( 1.565 0.156 -0.244) 1.591 6.062 ( 2.105 -6.626 0.872) 7.007 6.146 ( -16.835 -7.734 -2.002) 18.634 6.510 ( -5.012 1.185 0.031) 5.150 6.731 ( -2.712 -5.594 -0.581) 6.244 7.614 ( 6.646 3.372 0.936) 7.511 7.874 ( 9.560 7.269 1.565) 12.111 8.140 ( -3.080 5.579 -3.007) 7.046 8.621 ( -5.800 4.249 1.052) 7.266 8.739 ( 2.324 6.286 1.631) 6.897 9.088 ( 3.438 19.831 2.326) 20.261 9.559 ( 3.473 5.332 -0.832) 6.418 9.842 ( 5.209 -5.391 2.923) 8.047 9.935 ( 2.921 -4.253 3.484) 6.226 10.172 ( -6.162 -2.481 -3.680) 7.594 10.244 ( -4.609 -9.785 -5.861) 12.302 10.395 ( -7.973 -6.386 3.117) 10.680 10.886 ( -0.598 0.896 7.061) 7.142 11.021 ( -0.907 1.574 -10.443) 10.600 11.827 ( 3.586 -0.398 -0.457) 3.637 14.076 ( -0.704 2.386 -1.072) 2.708 14.510 ( 0.220 -0.955 0.693) 1.201 ======================= Grid point 537 (273/275) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.000 -9.074 0.000) 9.074 2.494 ( 0.000 -2.126 0.000) 2.126 2.508 ( -0.000 1.492 -0.000) 1.492 2.711 ( -0.000 6.645 0.000) 6.645 2.795 ( 0.000 4.034 -0.000) 4.034 3.754 ( -0.000 -6.918 0.000) 6.918 4.288 ( 0.000 -3.136 0.000) 3.136 4.382 ( 0.000 12.782 0.000) 12.782 4.869 ( 0.000 -5.482 0.000) 5.482 5.040 ( -0.000 -11.085 -0.000) 11.085 5.173 ( 0.000 1.725 0.000) 1.725 5.729 ( 0.000 -11.895 0.000) 11.895 6.011 ( -0.000 -9.705 0.000) 9.705 6.227 ( -0.000 -9.059 0.000) 9.059 6.449 ( 0.000 -0.281 0.000) 0.281 6.767 ( -0.000 -5.577 0.000) 5.577 7.606 ( -0.000 8.203 -0.000) 8.203 7.893 ( 0.000 8.779 0.000) 8.779 8.032 ( -0.000 5.311 0.000) 5.311 8.518 ( -0.000 4.941 0.000) 4.941 8.664 ( 0.000 11.257 0.000) 11.257 8.894 ( -0.000 21.811 0.000) 21.811 9.537 ( -0.000 3.870 0.000) 3.870 9.846 ( -0.000 2.049 0.000) 2.049 10.041 ( 0.000 2.729 0.000) 2.729 10.140 ( -0.000 -5.819 0.000) 5.819 10.370 ( 0.000 -18.408 -0.000) 18.408 10.414 ( -0.000 -8.173 0.000) 8.173 10.878 ( -0.000 1.496 -0.000) 1.496 10.981 ( -0.000 0.974 0.000) 0.974 11.858 ( -0.000 -0.490 0.000) 0.490 14.042 ( -0.000 2.595 0.000) 2.595 14.521 ( -0.000 -0.659 0.000) 0.659 ======================= Grid point 545 (274/275) ======================= q-point: ( 0.44 -0.56 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -8.703 -0.000 0.464) 8.715 2.530 ( 0.440 0.000 0.177) 0.474 2.551 ( -7.840 -0.000 -0.829) 7.884 2.930 ( 0.689 0.000 -0.228) 0.726 2.969 ( -13.766 -0.000 2.870) 14.063 3.502 ( 3.777 0.000 0.109) 3.778 4.229 ( 1.004 0.000 -3.963) 4.089 4.568 ( 21.319 0.000 12.968) 24.953 4.768 ( 4.467 0.000 -2.706) 5.223 4.904 ( -6.144 -0.000 6.488) 8.936 4.917 ( -4.337 -0.000 -6.677) 7.961 5.639 ( 2.248 0.000 0.159) 2.254 6.005 ( 4.878 0.000 -2.332) 5.406 6.039 ( -20.650 -0.000 -0.752) 20.663 6.591 ( -2.483 -0.000 1.223) 2.768 6.607 ( -6.029 -0.000 -1.285) 6.165 7.641 ( 7.693 0.000 -0.073) 7.693 7.957 ( 8.479 0.000 1.739) 8.655 8.213 ( -1.769 -0.000 -1.769) 2.502 8.673 ( -5.981 -0.000 0.091) 5.981 8.800 ( 3.206 0.000 3.226) 4.548 9.454 ( 4.110 0.000 -1.980) 4.563 9.566 ( 10.090 0.000 10.304) 14.422 9.640 ( 4.388 0.000 -2.731) 5.168 9.931 ( 1.452 0.000 2.142) 2.588 10.115 ( -6.649 -0.000 -5.410) 8.572 10.165 ( -7.375 -0.000 -3.644) 8.226 10.321 ( -10.164 -0.000 0.668) 10.186 10.896 ( -0.236 -0.000 6.996) 7.000 11.041 ( -0.883 -0.000 -9.666) 9.706 11.822 ( 3.679 0.000 -0.577) 3.724 14.105 ( -0.774 -0.000 -0.944) 1.221 14.497 ( 0.364 0.000 0.660) 0.754 ======================= Grid point 547 (275/275) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 0.000 -3.785 0.000) 3.785 2.466 ( 0.000 -0.573 0.000) 0.573 2.531 ( -0.000 0.603 0.000) 0.603 2.864 ( -0.000 1.926 0.000) 1.926 2.892 ( 0.000 7.471 0.000) 7.471 3.579 ( 0.000 -6.944 0.000) 6.944 4.238 ( 0.000 -1.273 0.000) 1.273 4.687 ( 0.000 15.342 0.000) 15.342 4.793 ( -0.000 -1.468 -0.000) 1.468 4.859 ( -0.000 -5.246 -0.000) 5.246 5.018 ( 0.000 -14.136 0.000) 14.136 5.649 ( -0.000 1.516 0.000) 1.516 5.858 ( -0.000 -3.999 0.000) 3.999 6.074 ( 0.000 -4.536 0.000) 4.536 6.494 ( -0.000 4.733 0.000) 4.733 6.633 ( -0.000 -6.833 0.000) 6.833 7.698 ( -0.000 1.435 0.000) 1.435 8.021 ( 0.000 3.081 0.000) 3.081 8.169 ( 0.000 4.845 0.000) 4.845 8.602 ( -0.000 2.445 0.000) 2.445 8.813 ( 0.000 3.109 0.000) 3.109 9.338 ( -0.000 19.570 0.000) 19.570 9.650 ( -0.000 4.820 0.000) 4.820 9.813 ( 0.000 -14.008 0.000) 14.008 9.955 ( -0.000 -1.914 0.000) 1.914 10.078 ( 0.000 0.741 0.000) 0.741 10.088 ( -0.000 -6.328 0.000) 6.328 10.252 ( -0.000 -5.412 0.000) 5.412 10.901 ( -0.000 0.588 -0.000) 0.588 11.014 ( -0.000 1.123 0.000) 1.123 11.851 ( 0.000 -0.182 0.000) 0.182 14.090 ( -0.000 1.436 0.000) 1.436 14.504 ( -0.000 -0.623 0.000) 0.623 =================== 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 3/32076 10.0 757.386 955.445 653.681 -0.000 -104.801 0.000 3/32076 20.0 151.325 139.541 132.177 -0.000 -16.437 0.000 3/32076 30.0 56.063 51.710 53.265 0.000 -5.528 0.000 3/32076 40.0 30.814 28.355 30.704 0.000 -2.928 0.000 3/32076 50.0 20.517 18.697 21.055 0.000 -1.947 0.000 3/32076 60.0 15.211 13.672 15.880 0.000 -1.466 0.000 3/32076 70.0 12.053 10.681 12.697 0.000 -1.185 0.000 3/32076 80.0 9.983 8.734 10.559 0.000 -0.999 0.000 3/32076 90.0 8.530 7.381 9.034 0.000 -0.865 0.000 3/32076 100.0 7.457 6.394 7.897 0.000 -0.763 0.000 3/32076 110.0 6.633 5.644 7.020 0.000 -0.683 0.000 3/32076 120.0 5.980 5.056 6.324 0.000 -0.619 0.000 3/32076 130.0 5.450 4.583 5.759 0.000 -0.566 0.000 3/32076 140.0 5.010 4.195 5.291 0.000 -0.521 0.000 3/32076 150.0 4.640 3.870 4.897 0.000 -0.483 0.000 3/32076 160.0 4.322 3.594 4.561 0.000 -0.450 0.000 3/32076 170.0 4.048 3.356 4.270 0.000 -0.422 0.000 3/32076 180.0 3.807 3.149 4.016 0.000 -0.397 0.000 3/32076 190.0 3.595 2.967 3.792 0.000 -0.375 0.000 3/32076 200.0 3.405 2.805 3.592 0.000 -0.355 0.000 3/32076 210.0 3.236 2.661 3.414 0.000 -0.337 0.000 3/32076 220.0 3.083 2.532 3.252 0.000 -0.321 0.000 3/32076 230.0 2.944 2.415 3.106 0.000 -0.307 0.000 3/32076 240.0 2.817 2.308 2.973 0.000 -0.293 0.000 3/32076 250.0 2.701 2.211 2.851 0.000 -0.281 0.000 3/32076 260.0 2.595 2.122 2.739 0.000 -0.270 0.000 3/32076 270.0 2.496 2.040 2.636 0.000 -0.260 0.000 3/32076 280.0 2.405 1.964 2.540 0.000 -0.250 0.000 3/32076 290.0 2.321 1.894 2.452 0.000 -0.242 0.000 3/32076 300.0 2.242 1.828 2.369 0.000 -0.233 0.000 3/32076 310.0 2.169 1.767 2.292 0.000 -0.226 0.000 3/32076 320.0 2.100 1.711 2.219 0.000 -0.218 0.000 3/32076 330.0 2.035 1.657 2.152 0.000 -0.212 0.000 3/32076 340.0 1.975 1.607 2.088 0.000 -0.205 0.000 3/32076 350.0 1.918 1.560 2.028 0.000 -0.199 0.000 3/32076 360.0 1.864 1.516 1.971 0.000 -0.194 0.000 3/32076 370.0 1.813 1.474 1.918 0.000 -0.189 0.000 3/32076 380.0 1.765 1.434 1.867 0.000 -0.184 0.000 3/32076 390.0 1.719 1.397 1.819 0.000 -0.179 0.000 3/32076 400.0 1.676 1.361 1.773 0.000 -0.174 0.000 3/32076 410.0 1.635 1.328 1.730 0.000 -0.170 0.000 3/32076 420.0 1.596 1.295 1.689 0.000 -0.166 0.000 3/32076 430.0 1.558 1.265 1.649 0.000 -0.162 0.000 3/32076 440.0 1.523 1.236 1.612 0.000 -0.158 0.000 3/32076 450.0 1.489 1.208 1.576 0.000 -0.155 0.000 3/32076 460.0 1.456 1.181 1.542 0.000 -0.151 0.000 3/32076 470.0 1.425 1.156 1.509 0.000 -0.148 0.000 3/32076 480.0 1.395 1.131 1.477 0.000 -0.145 0.000 3/32076 490.0 1.366 1.108 1.447 0.000 -0.142 0.000 3/32076 500.0 1.339 1.086 1.418 0.000 -0.139 0.000 3/32076 510.0 1.313 1.064 1.390 0.000 -0.136 0.000 3/32076 520.0 1.287 1.043 1.363 0.000 -0.134 0.000 3/32076 530.0 1.263 1.024 1.338 0.000 -0.131 0.000 3/32076 540.0 1.239 1.004 1.313 0.000 -0.129 0.000 3/32076 550.0 1.217 0.986 1.289 0.000 -0.126 0.000 3/32076 560.0 1.195 0.968 1.266 0.000 -0.124 0.000 3/32076 570.0 1.174 0.951 1.244 0.000 -0.122 0.000 3/32076 580.0 1.154 0.935 1.222 0.000 -0.120 0.000 3/32076 590.0 1.134 0.919 1.202 0.000 -0.118 0.000 3/32076 600.0 1.115 0.903 1.182 0.000 -0.116 0.000 3/32076 610.0 1.097 0.888 1.162 0.000 -0.114 0.000 3/32076 620.0 1.079 0.874 1.144 0.000 -0.112 0.000 3/32076 630.0 1.062 0.860 1.125 0.000 -0.110 0.000 3/32076 640.0 1.045 0.846 1.108 0.000 -0.109 0.000 3/32076 650.0 1.029 0.833 1.091 0.000 -0.107 0.000 3/32076 660.0 1.014 0.821 1.074 0.000 -0.105 0.000 3/32076 670.0 0.998 0.808 1.058 0.000 -0.104 0.000 3/32076 680.0 0.984 0.796 1.043 0.000 -0.102 0.000 3/32076 690.0 0.969 0.785 1.028 0.000 -0.101 0.000 3/32076 700.0 0.956 0.773 1.013 0.000 -0.099 0.000 3/32076 710.0 0.942 0.762 0.999 0.000 -0.098 0.000 3/32076 720.0 0.929 0.752 0.985 0.000 -0.097 0.000 3/32076 730.0 0.916 0.741 0.971 0.000 -0.095 0.000 3/32076 740.0 0.904 0.731 0.958 0.000 -0.094 0.000 3/32076 750.0 0.892 0.722 0.945 0.000 -0.093 0.000 3/32076 760.0 0.880 0.712 0.933 0.000 -0.091 0.000 3/32076 770.0 0.869 0.703 0.921 0.000 -0.090 0.000 3/32076 780.0 0.857 0.694 0.909 0.000 -0.089 0.000 3/32076 790.0 0.846 0.685 0.897 0.000 -0.088 0.000 3/32076 800.0 0.836 0.676 0.886 0.000 -0.087 0.000 3/32076 810.0 0.826 0.668 0.875 0.000 -0.086 0.000 3/32076 820.0 0.815 0.660 0.865 0.000 -0.085 0.000 3/32076 830.0 0.806 0.652 0.854 0.000 -0.084 0.000 3/32076 840.0 0.796 0.644 0.844 0.000 -0.083 0.000 3/32076 850.0 0.787 0.636 0.834 0.000 -0.082 0.000 3/32076 860.0 0.778 0.629 0.824 0.000 -0.081 0.000 3/32076 870.0 0.769 0.622 0.815 0.000 -0.080 0.000 3/32076 880.0 0.760 0.615 0.806 0.000 -0.079 0.000 3/32076 890.0 0.751 0.608 0.797 0.000 -0.078 0.000 3/32076 900.0 0.743 0.601 0.788 0.000 -0.077 0.000 3/32076 910.0 0.735 0.594 0.779 0.000 -0.076 0.000 3/32076 920.0 0.727 0.588 0.771 0.000 -0.076 0.000 3/32076 930.0 0.719 0.581 0.762 0.000 -0.075 0.000 3/32076 940.0 0.711 0.575 0.754 0.000 -0.074 0.000 3/32076 950.0 0.704 0.569 0.746 0.000 -0.073 0.000 3/32076 960.0 0.696 0.563 0.739 0.000 -0.072 0.000 3/32076 970.0 0.689 0.557 0.731 0.000 -0.072 0.000 3/32076 980.0 0.682 0.552 0.724 0.000 -0.071 0.000 3/32076 990.0 0.675 0.546 0.716 0.000 -0.070 0.000 3/32076 1000.0 0.669 0.541 0.709 0.000 -0.069 0.000 3/32076 Thermal conductivity related properties were written into "kappa-m9912.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:52:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|