----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:16:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.032617130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.020882590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.031748200000002 Atomic positions (fractional): *1 S 0.88158002065075 0.87435698763263 0.62170019619021 32.065 2 S 0.11841997934925 0.12564301236737 0.12170019619021 32.065 3 S 0.61841997934925 0.87435698763263 0.12170019619021 32.065 4 S 0.38158002065075 0.12564301236737 0.62170019619021 32.065 *5 Sb 0.62123782744082 0.36620787236270 0.38179369595462 121.760 6 Sb 0.37876217255918 0.63379212763730 0.88179369595462 121.760 7 Sb 0.87876217255918 0.36620787236270 0.88179369595462 121.760 8 Sb 0.12123782744082 0.63379212763730 0.38179369595462 121.760 *9 Ir 0.48711159345958 0.23115295215865 0.99870611785517 192.217 10 Ir 0.51288840654042 0.76884704784135 0.49870611785517 192.217 11 Ir 0.01288840654042 0.23115295215865 0.49870611785517 192.217 12 Ir 0.98711159345958 0.76884704784135 0.99870611785517 192.217 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.032617130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.020882590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.031748200000002 Atomic positions (fractional): *1 S 0.88158002065075 0.87435698763263 0.62170019619021 32.065 > 1 2 S 0.11841997934925 0.12564301236737 0.12170019619021 32.065 > 2 3 S 0.61841997934925 0.87435698763263 0.12170019619021 32.065 > 3 4 S 0.38158002065075 0.12564301236737 0.62170019619021 32.065 > 4 *5 Sb 0.62123782744082 0.36620787236270 0.38179369595462 121.760 > 5 6 Sb 0.37876217255918 0.63379212763730 0.88179369595462 121.760 > 6 7 Sb 0.87876217255918 0.36620787236270 0.88179369595462 121.760 > 7 8 Sb 0.12123782744082 0.63379212763730 0.38179369595462 121.760 > 8 *9 Ir 0.48711159345958 0.23115295215865 0.99870611785517 192.217 > 9 10 Ir 0.51288840654042 0.76884704784135 0.49870611785517 192.217 > 10 11 Ir 0.01288840654042 0.23115295215865 0.49870611785517 192.217 > 11 12 Ir 0.98711159345958 0.76884704784135 0.99870611785517 192.217 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.065234260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.062647770000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.063496400000004 Atomic positions (fractional): *1 S 0.44079001032538 0.29145232921088 0.31085009809511 32.065 > 1 2 S 0.94079001032538 0.29145232921088 0.31085009809511 32.065 > 1 3 S 0.44079001032538 0.62478566254421 0.31085009809511 32.065 > 1 4 S 0.94079001032538 0.62478566254421 0.31085009809511 32.065 > 1 5 S 0.44079001032538 0.95811899587754 0.31085009809511 32.065 > 1 6 S 0.94079001032538 0.95811899587754 0.31085009809511 32.065 > 1 7 S 0.44079001032538 0.29145232921088 0.81085009809511 32.065 > 1 8 S 0.94079001032538 0.29145232921088 0.81085009809511 32.065 > 1 9 S 0.44079001032538 0.62478566254421 0.81085009809511 32.065 > 1 10 S 0.94079001032538 0.62478566254421 0.81085009809511 32.065 > 1 11 S 0.44079001032538 0.95811899587754 0.81085009809511 32.065 > 1 12 S 0.94079001032538 0.95811899587754 0.81085009809511 32.065 > 1 13 S 0.05920998967462 0.04188100412246 0.06085009809511 32.065 > 2 14 S 0.55920998967462 0.04188100412246 0.06085009809511 32.065 > 2 15 S 0.05920998967462 0.37521433745579 0.06085009809511 32.065 > 2 16 S 0.55920998967462 0.37521433745579 0.06085009809511 32.065 > 2 17 S 0.05920998967462 0.70854767078912 0.06085009809511 32.065 > 2 18 S 0.55920998967462 0.70854767078912 0.06085009809511 32.065 > 2 19 S 0.05920998967462 0.04188100412246 0.56085009809511 32.065 > 2 20 S 0.55920998967462 0.04188100412246 0.56085009809511 32.065 > 2 21 S 0.05920998967462 0.37521433745579 0.56085009809511 32.065 > 2 22 S 0.55920998967462 0.37521433745579 0.56085009809511 32.065 > 2 23 S 0.05920998967462 0.70854767078912 0.56085009809511 32.065 > 2 24 S 0.55920998967462 0.70854767078912 0.56085009809511 32.065 > 2 25 S 0.30920998967462 0.29145232921088 0.06085009809511 32.065 > 3 26 S 0.80920998967462 0.29145232921088 0.06085009809511 32.065 > 3 27 S 0.30920998967462 0.62478566254421 0.06085009809511 32.065 > 3 28 S 0.80920998967462 0.62478566254421 0.06085009809511 32.065 > 3 29 S 0.30920998967462 0.95811899587754 0.06085009809511 32.065 > 3 30 S 0.80920998967462 0.95811899587754 0.06085009809511 32.065 > 3 31 S 0.30920998967462 0.29145232921088 0.56085009809511 32.065 > 3 32 S 0.80920998967462 0.29145232921088 0.56085009809511 32.065 > 3 33 S 0.30920998967462 0.62478566254421 0.56085009809511 32.065 > 3 34 S 0.80920998967462 0.62478566254421 0.56085009809511 32.065 > 3 35 S 0.30920998967462 0.95811899587754 0.56085009809511 32.065 > 3 36 S 0.80920998967462 0.95811899587754 0.56085009809511 32.065 > 3 37 S 0.19079001032538 0.04188100412246 0.31085009809511 32.065 > 4 38 S 0.69079001032538 0.04188100412246 0.31085009809511 32.065 > 4 39 S 0.19079001032538 0.37521433745579 0.31085009809511 32.065 > 4 40 S 0.69079001032538 0.37521433745579 0.31085009809511 32.065 > 4 41 S 0.19079001032538 0.70854767078912 0.31085009809511 32.065 > 4 42 S 0.69079001032538 0.70854767078912 0.31085009809511 32.065 > 4 43 S 0.19079001032538 0.04188100412246 0.81085009809511 32.065 > 4 44 S 0.69079001032538 0.04188100412246 0.81085009809511 32.065 > 4 45 S 0.19079001032538 0.37521433745579 0.81085009809511 32.065 > 4 46 S 0.69079001032538 0.37521433745579 0.81085009809511 32.065 > 4 47 S 0.19079001032538 0.70854767078912 0.81085009809511 32.065 > 4 48 S 0.69079001032538 0.70854767078912 0.81085009809511 32.065 > 4 *49 Sb 0.31061891372041 0.12206929078757 0.19089684797731 121.760 > 5 50 Sb 0.81061891372041 0.12206929078757 0.19089684797731 121.760 > 5 51 Sb 0.31061891372041 0.45540262412090 0.19089684797731 121.760 > 5 52 Sb 0.81061891372041 0.45540262412090 0.19089684797731 121.760 > 5 53 Sb 0.31061891372041 0.78873595745423 0.19089684797731 121.760 > 5 54 Sb 0.81061891372041 0.78873595745423 0.19089684797731 121.760 > 5 55 Sb 0.31061891372041 0.12206929078757 0.69089684797731 121.760 > 5 56 Sb 0.81061891372041 0.12206929078757 0.69089684797731 121.760 > 5 57 Sb 0.31061891372041 0.45540262412090 0.69089684797731 121.760 > 5 58 Sb 0.81061891372041 0.45540262412090 0.69089684797731 121.760 > 5 59 Sb 0.31061891372041 0.78873595745423 0.69089684797731 121.760 > 5 60 Sb 0.81061891372041 0.78873595745423 0.69089684797731 121.760 > 5 61 Sb 0.18938108627959 0.21126404254577 0.44089684797731 121.760 > 6 62 Sb 0.68938108627959 0.21126404254577 0.44089684797731 121.760 > 6 63 Sb 0.18938108627959 0.54459737587910 0.44089684797731 121.760 > 6 64 Sb 0.68938108627959 0.54459737587910 0.44089684797731 121.760 > 6 65 Sb 0.18938108627959 0.87793070921243 0.44089684797731 121.760 > 6 66 Sb 0.68938108627959 0.87793070921243 0.44089684797731 121.760 > 6 67 Sb 0.18938108627959 0.21126404254577 0.94089684797731 121.760 > 6 68 Sb 0.68938108627959 0.21126404254577 0.94089684797731 121.760 > 6 69 Sb 0.18938108627959 0.54459737587910 0.94089684797731 121.760 > 6 70 Sb 0.68938108627959 0.54459737587910 0.94089684797731 121.760 > 6 71 Sb 0.18938108627959 0.87793070921243 0.94089684797731 121.760 > 6 72 Sb 0.68938108627959 0.87793070921243 0.94089684797731 121.760 > 6 73 Sb 0.43938108627959 0.12206929078757 0.44089684797731 121.760 > 7 74 Sb 0.93938108627959 0.12206929078757 0.44089684797731 121.760 > 7 75 Sb 0.43938108627959 0.45540262412090 0.44089684797731 121.760 > 7 76 Sb 0.93938108627959 0.45540262412090 0.44089684797731 121.760 > 7 77 Sb 0.43938108627959 0.78873595745423 0.44089684797731 121.760 > 7 78 Sb 0.93938108627959 0.78873595745423 0.44089684797731 121.760 > 7 79 Sb 0.43938108627959 0.12206929078757 0.94089684797731 121.760 > 7 80 Sb 0.93938108627959 0.12206929078757 0.94089684797731 121.760 > 7 81 Sb 0.43938108627959 0.45540262412090 0.94089684797731 121.760 > 7 82 Sb 0.93938108627959 0.45540262412090 0.94089684797731 121.760 > 7 83 Sb 0.43938108627959 0.78873595745423 0.94089684797731 121.760 > 7 84 Sb 0.93938108627959 0.78873595745423 0.94089684797731 121.760 > 7 85 Sb 0.06061891372041 0.21126404254577 0.19089684797731 121.760 > 8 86 Sb 0.56061891372041 0.21126404254577 0.19089684797731 121.760 > 8 87 Sb 0.06061891372041 0.54459737587910 0.19089684797731 121.760 > 8 88 Sb 0.56061891372041 0.54459737587910 0.19089684797731 121.760 > 8 89 Sb 0.06061891372041 0.87793070921243 0.19089684797731 121.760 > 8 90 Sb 0.56061891372041 0.87793070921243 0.19089684797731 121.760 > 8 91 Sb 0.06061891372041 0.21126404254577 0.69089684797731 121.760 > 8 92 Sb 0.56061891372041 0.21126404254577 0.69089684797731 121.760 > 8 93 Sb 0.06061891372041 0.54459737587910 0.69089684797731 121.760 > 8 94 Sb 0.56061891372041 0.54459737587910 0.69089684797731 121.760 > 8 95 Sb 0.06061891372041 0.87793070921243 0.69089684797731 121.760 > 8 96 Sb 0.56061891372041 0.87793070921243 0.69089684797731 121.760 > 8 *97 Ir 0.24355579672979 0.07705098405288 0.49935305892759 192.217 > 9 98 Ir 0.74355579672979 0.07705098405288 0.49935305892759 192.217 > 9 99 Ir 0.24355579672979 0.41038431738622 0.49935305892759 192.217 > 9 100 Ir 0.74355579672979 0.41038431738622 0.49935305892759 192.217 > 9 101 Ir 0.24355579672979 0.74371765071955 0.49935305892759 192.217 > 9 102 Ir 0.74355579672979 0.74371765071955 0.49935305892759 192.217 > 9 103 Ir 0.24355579672979 0.07705098405288 0.99935305892759 192.217 > 9 104 Ir 0.74355579672979 0.07705098405288 0.99935305892759 192.217 > 9 105 Ir 0.24355579672979 0.41038431738622 0.99935305892759 192.217 > 9 106 Ir 0.74355579672979 0.41038431738622 0.99935305892759 192.217 > 9 107 Ir 0.24355579672979 0.74371765071955 0.99935305892759 192.217 > 9 108 Ir 0.74355579672979 0.74371765071955 0.99935305892759 192.217 > 9 109 Ir 0.25644420327021 0.25628234928045 0.24935305892759 192.217 > 10 110 Ir 0.75644420327021 0.25628234928045 0.24935305892759 192.217 > 10 111 Ir 0.25644420327021 0.58961568261378 0.24935305892759 192.217 > 10 112 Ir 0.75644420327021 0.58961568261378 0.24935305892759 192.217 > 10 113 Ir 0.25644420327021 0.92294901594712 0.24935305892759 192.217 > 10 114 Ir 0.75644420327021 0.92294901594712 0.24935305892759 192.217 > 10 115 Ir 0.25644420327021 0.25628234928045 0.74935305892759 192.217 > 10 116 Ir 0.75644420327021 0.25628234928045 0.74935305892759 192.217 > 10 117 Ir 0.25644420327021 0.58961568261378 0.74935305892759 192.217 > 10 118 Ir 0.75644420327021 0.58961568261378 0.74935305892759 192.217 > 10 119 Ir 0.25644420327021 0.92294901594712 0.74935305892759 192.217 > 10 120 Ir 0.75644420327021 0.92294901594712 0.74935305892759 192.217 > 10 121 Ir 0.00644420327021 0.07705098405288 0.24935305892759 192.217 > 11 122 Ir 0.50644420327021 0.07705098405288 0.24935305892759 192.217 > 11 123 Ir 0.00644420327021 0.41038431738622 0.24935305892759 192.217 > 11 124 Ir 0.50644420327021 0.41038431738622 0.24935305892759 192.217 > 11 125 Ir 0.00644420327021 0.74371765071955 0.24935305892759 192.217 > 11 126 Ir 0.50644420327021 0.74371765071955 0.24935305892759 192.217 > 11 127 Ir 0.00644420327021 0.07705098405288 0.74935305892759 192.217 > 11 128 Ir 0.50644420327021 0.07705098405288 0.74935305892759 192.217 > 11 129 Ir 0.00644420327021 0.41038431738622 0.74935305892759 192.217 > 11 130 Ir 0.50644420327021 0.41038431738622 0.74935305892759 192.217 > 11 131 Ir 0.00644420327021 0.74371765071955 0.74935305892759 192.217 > 11 132 Ir 0.50644420327021 0.74371765071955 0.74935305892759 192.217 > 11 133 Ir 0.49355579672979 0.25628234928045 0.49935305892759 192.217 > 12 134 Ir 0.99355579672979 0.25628234928045 0.49935305892759 192.217 > 12 135 Ir 0.49355579672979 0.58961568261378 0.49935305892759 192.217 > 12 136 Ir 0.99355579672979 0.58961568261378 0.49935305892759 192.217 > 12 137 Ir 0.49355579672979 0.92294901594712 0.49935305892759 192.217 > 12 138 Ir 0.99355579672979 0.92294901594712 0.49935305892759 192.217 > 12 139 Ir 0.49355579672979 0.25628234928045 0.99935305892759 192.217 > 12 140 Ir 0.99355579672979 0.25628234928045 0.99935305892759 192.217 > 12 141 Ir 0.49355579672979 0.58961568261378 0.99935305892759 192.217 > 12 142 Ir 0.99355579672979 0.58961568261378 0.99935305892759 192.217 > 12 143 Ir 0.49355579672979 0.92294901594712 0.99935305892759 192.217 > 12 144 Ir 0.99355579672979 0.92294901594712 0.99935305892759 192.217 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.6093223 0.0000000 0.0000000 0.0000000 16.8595585 0.0000000 0.0000000 0.0000000 16.9726160 -------------------------- Born effective charges -------------------------- 1 S 0.2594508 -0.4632958 -0.0161489 -0.1144143 0.6306356 -0.0165059 -0.2765709 0.2760696 0.0438161 2 S 0.2594508 -0.4632958 0.0161489 -0.1144143 0.6306356 0.0165059 0.2765709 -0.2760696 0.0438161 3 S 0.2594508 0.4632958 0.0161489 0.1144143 0.6306356 -0.0165059 0.2765709 0.2760696 0.0438161 4 S 0.2594508 0.4632958 -0.0161489 0.1144143 0.6306356 0.0165059 -0.2765709 -0.2760696 0.0438161 5 Sb 3.6802880 0.0063957 -0.2046284 0.2445402 3.4558870 -0.3073242 -0.0403630 -0.1639412 3.6801510 6 Sb 3.6802880 0.0063957 0.2046284 0.2445402 3.4558870 0.3073242 0.0403630 0.1639412 3.6801510 7 Sb 3.6802880 -0.0063957 0.2046284 -0.2445402 3.4558870 -0.3073242 0.0403630 -0.1639412 3.6801510 8 Sb 3.6802880 -0.0063957 -0.2046284 -0.2445402 3.4558870 0.3073242 -0.0403630 0.1639412 3.6801510 9 Ir -3.9397387 0.1798364 0.5807807 0.5252640 -4.0865226 -0.5815707 0.4474346 -0.7829959 -3.7239671 10 Ir -3.9397387 0.1798364 -0.5807807 0.5252640 -4.0865226 0.5815707 -0.4474346 0.7829959 -3.7239671 11 Ir -3.9397387 -0.1798364 -0.5807807 -0.5252640 -4.0865226 -0.5815707 -0.4474346 -0.7829959 -3.7239671 12 Ir -3.9397387 -0.1798364 0.5807807 -0.5252640 -4.0865226 0.5815707 0.4474346 0.7829959 -3.7239671 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1962 Number of blocks in projector: 1962 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 222 Use standard eigh solver. Tree of FC basis block matrices: - (1962, 1935), data: False |-- (222, 219), data: True |-- (222, 219), data: True |-- (222, 219), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 4.261 Solver_block: 200 / 400 - Time: 4.285 Solver_block: 300 / 400 - Time: 4.299 Solver_block: 400 / 400 - Time: 4.278 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.259 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1962 Number of blocks in projector: 1962 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 222 Use standard eigh solver. Tree of FC basis block matrices: - (1962, 1935), data: False |-- (222, 219), data: True |-- (222, 219), data: True |-- (222, 219), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (432, 426), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:16:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:16:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.032617130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.020882590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.031748200000002 Atomic positions (fractional): 1 S 0.88158002065075 0.87435698763263 0.62170019619021 32.065 2 S 0.11841997934925 0.12564301236737 0.12170019619021 32.065 3 S 0.61841997934925 0.87435698763263 0.12170019619021 32.065 4 S 0.38158002065075 0.12564301236737 0.62170019619021 32.065 5 Sb 0.62123782744082 0.36620787236270 0.38179369595462 121.760 6 Sb 0.37876217255918 0.63379212763730 0.88179369595462 121.760 7 Sb 0.87876217255918 0.36620787236270 0.88179369595462 121.760 8 Sb 0.12123782744082 0.63379212763730 0.38179369595462 121.760 9 Ir 0.48711159345958 0.23115295215865 0.99870611785517 192.217 10 Ir 0.51288840654042 0.76884704784135 0.49870611785517 192.217 11 Ir 0.01288840654042 0.23115295215865 0.49870611785517 192.217 12 Ir 0.98711159345958 0.76884704784135 0.99870611785517 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.065234260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.062647770000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.063496400000004 Atomic positions (fractional): 1 S 0.44079001032538 0.29145232921088 0.31085009809511 32.065 > 1 2 S 0.94079001032538 0.29145232921088 0.31085009809511 32.065 > 1 3 S 0.44079001032538 0.62478566254421 0.31085009809511 32.065 > 1 4 S 0.94079001032538 0.62478566254421 0.31085009809511 32.065 > 1 5 S 0.44079001032538 0.95811899587754 0.31085009809511 32.065 > 1 6 S 0.94079001032538 0.95811899587754 0.31085009809511 32.065 > 1 7 S 0.44079001032538 0.29145232921088 0.81085009809511 32.065 > 1 8 S 0.94079001032538 0.29145232921088 0.81085009809511 32.065 > 1 9 S 0.44079001032538 0.62478566254421 0.81085009809511 32.065 > 1 10 S 0.94079001032538 0.62478566254421 0.81085009809511 32.065 > 1 11 S 0.44079001032538 0.95811899587754 0.81085009809511 32.065 > 1 12 S 0.94079001032538 0.95811899587754 0.81085009809511 32.065 > 1 13 S 0.05920998967462 0.04188100412246 0.06085009809511 32.065 > 13 14 S 0.55920998967462 0.04188100412246 0.06085009809511 32.065 > 13 15 S 0.05920998967462 0.37521433745579 0.06085009809511 32.065 > 13 16 S 0.55920998967462 0.37521433745579 0.06085009809511 32.065 > 13 17 S 0.05920998967462 0.70854767078912 0.06085009809511 32.065 > 13 18 S 0.55920998967462 0.70854767078912 0.06085009809511 32.065 > 13 19 S 0.05920998967462 0.04188100412246 0.56085009809511 32.065 > 13 20 S 0.55920998967462 0.04188100412246 0.56085009809511 32.065 > 13 21 S 0.05920998967462 0.37521433745579 0.56085009809511 32.065 > 13 22 S 0.55920998967462 0.37521433745579 0.56085009809511 32.065 > 13 23 S 0.05920998967462 0.70854767078912 0.56085009809511 32.065 > 13 24 S 0.55920998967462 0.70854767078912 0.56085009809511 32.065 > 13 25 S 0.30920998967462 0.29145232921088 0.06085009809511 32.065 > 25 26 S 0.80920998967462 0.29145232921088 0.06085009809511 32.065 > 25 27 S 0.30920998967462 0.62478566254421 0.06085009809511 32.065 > 25 28 S 0.80920998967462 0.62478566254421 0.06085009809511 32.065 > 25 29 S 0.30920998967462 0.95811899587754 0.06085009809511 32.065 > 25 30 S 0.80920998967462 0.95811899587754 0.06085009809511 32.065 > 25 31 S 0.30920998967462 0.29145232921088 0.56085009809511 32.065 > 25 32 S 0.80920998967462 0.29145232921088 0.56085009809511 32.065 > 25 33 S 0.30920998967462 0.62478566254421 0.56085009809511 32.065 > 25 34 S 0.80920998967462 0.62478566254421 0.56085009809511 32.065 > 25 35 S 0.30920998967462 0.95811899587754 0.56085009809511 32.065 > 25 36 S 0.80920998967462 0.95811899587754 0.56085009809511 32.065 > 25 37 S 0.19079001032538 0.04188100412246 0.31085009809511 32.065 > 37 38 S 0.69079001032538 0.04188100412246 0.31085009809511 32.065 > 37 39 S 0.19079001032538 0.37521433745579 0.31085009809511 32.065 > 37 40 S 0.69079001032538 0.37521433745579 0.31085009809511 32.065 > 37 41 S 0.19079001032538 0.70854767078912 0.31085009809511 32.065 > 37 42 S 0.69079001032538 0.70854767078912 0.31085009809511 32.065 > 37 43 S 0.19079001032538 0.04188100412246 0.81085009809511 32.065 > 37 44 S 0.69079001032538 0.04188100412246 0.81085009809511 32.065 > 37 45 S 0.19079001032538 0.37521433745579 0.81085009809511 32.065 > 37 46 S 0.69079001032538 0.37521433745579 0.81085009809511 32.065 > 37 47 S 0.19079001032538 0.70854767078912 0.81085009809511 32.065 > 37 48 S 0.69079001032538 0.70854767078912 0.81085009809511 32.065 > 37 49 Sb 0.31061891372041 0.12206929078757 0.19089684797731 121.760 > 49 50 Sb 0.81061891372041 0.12206929078757 0.19089684797731 121.760 > 49 51 Sb 0.31061891372041 0.45540262412090 0.19089684797731 121.760 > 49 52 Sb 0.81061891372041 0.45540262412090 0.19089684797731 121.760 > 49 53 Sb 0.31061891372041 0.78873595745423 0.19089684797731 121.760 > 49 54 Sb 0.81061891372041 0.78873595745423 0.19089684797731 121.760 > 49 55 Sb 0.31061891372041 0.12206929078757 0.69089684797731 121.760 > 49 56 Sb 0.81061891372041 0.12206929078757 0.69089684797731 121.760 > 49 57 Sb 0.31061891372041 0.45540262412090 0.69089684797731 121.760 > 49 58 Sb 0.81061891372041 0.45540262412090 0.69089684797731 121.760 > 49 59 Sb 0.31061891372041 0.78873595745423 0.69089684797731 121.760 > 49 60 Sb 0.81061891372041 0.78873595745423 0.69089684797731 121.760 > 49 61 Sb 0.18938108627959 0.21126404254577 0.44089684797731 121.760 > 61 62 Sb 0.68938108627959 0.21126404254577 0.44089684797731 121.760 > 61 63 Sb 0.18938108627959 0.54459737587910 0.44089684797731 121.760 > 61 64 Sb 0.68938108627959 0.54459737587910 0.44089684797731 121.760 > 61 65 Sb 0.18938108627959 0.87793070921243 0.44089684797731 121.760 > 61 66 Sb 0.68938108627959 0.87793070921243 0.44089684797731 121.760 > 61 67 Sb 0.18938108627959 0.21126404254577 0.94089684797731 121.760 > 61 68 Sb 0.68938108627959 0.21126404254577 0.94089684797731 121.760 > 61 69 Sb 0.18938108627959 0.54459737587910 0.94089684797731 121.760 > 61 70 Sb 0.68938108627959 0.54459737587910 0.94089684797731 121.760 > 61 71 Sb 0.18938108627959 0.87793070921243 0.94089684797731 121.760 > 61 72 Sb 0.68938108627959 0.87793070921243 0.94089684797731 121.760 > 61 73 Sb 0.43938108627959 0.12206929078757 0.44089684797731 121.760 > 73 74 Sb 0.93938108627959 0.12206929078757 0.44089684797731 121.760 > 73 75 Sb 0.43938108627959 0.45540262412090 0.44089684797731 121.760 > 73 76 Sb 0.93938108627959 0.45540262412090 0.44089684797731 121.760 > 73 77 Sb 0.43938108627959 0.78873595745423 0.44089684797731 121.760 > 73 78 Sb 0.93938108627959 0.78873595745423 0.44089684797731 121.760 > 73 79 Sb 0.43938108627959 0.12206929078757 0.94089684797731 121.760 > 73 80 Sb 0.93938108627959 0.12206929078757 0.94089684797731 121.760 > 73 81 Sb 0.43938108627959 0.45540262412090 0.94089684797731 121.760 > 73 82 Sb 0.93938108627959 0.45540262412090 0.94089684797731 121.760 > 73 83 Sb 0.43938108627959 0.78873595745423 0.94089684797731 121.760 > 73 84 Sb 0.93938108627959 0.78873595745423 0.94089684797731 121.760 > 73 85 Sb 0.06061891372041 0.21126404254577 0.19089684797731 121.760 > 85 86 Sb 0.56061891372041 0.21126404254577 0.19089684797731 121.760 > 85 87 Sb 0.06061891372041 0.54459737587910 0.19089684797731 121.760 > 85 88 Sb 0.56061891372041 0.54459737587910 0.19089684797731 121.760 > 85 89 Sb 0.06061891372041 0.87793070921243 0.19089684797731 121.760 > 85 90 Sb 0.56061891372041 0.87793070921243 0.19089684797731 121.760 > 85 91 Sb 0.06061891372041 0.21126404254577 0.69089684797731 121.760 > 85 92 Sb 0.56061891372041 0.21126404254577 0.69089684797731 121.760 > 85 93 Sb 0.06061891372041 0.54459737587910 0.69089684797731 121.760 > 85 94 Sb 0.56061891372041 0.54459737587910 0.69089684797731 121.760 > 85 95 Sb 0.06061891372041 0.87793070921243 0.69089684797731 121.760 > 85 96 Sb 0.56061891372041 0.87793070921243 0.69089684797731 121.760 > 85 97 Ir 0.24355579672979 0.07705098405288 0.49935305892759 192.217 > 97 98 Ir 0.74355579672979 0.07705098405288 0.49935305892759 192.217 > 97 99 Ir 0.24355579672979 0.41038431738622 0.49935305892759 192.217 > 97 100 Ir 0.74355579672979 0.41038431738622 0.49935305892759 192.217 > 97 101 Ir 0.24355579672979 0.74371765071955 0.49935305892759 192.217 > 97 102 Ir 0.74355579672979 0.74371765071955 0.49935305892759 192.217 > 97 103 Ir 0.24355579672979 0.07705098405288 0.99935305892759 192.217 > 97 104 Ir 0.74355579672979 0.07705098405288 0.99935305892759 192.217 > 97 105 Ir 0.24355579672979 0.41038431738622 0.99935305892759 192.217 > 97 106 Ir 0.74355579672979 0.41038431738622 0.99935305892759 192.217 > 97 107 Ir 0.24355579672979 0.74371765071955 0.99935305892759 192.217 > 97 108 Ir 0.74355579672979 0.74371765071955 0.99935305892759 192.217 > 97 109 Ir 0.25644420327021 0.25628234928045 0.24935305892759 192.217 > 109 110 Ir 0.75644420327021 0.25628234928045 0.24935305892759 192.217 > 109 111 Ir 0.25644420327021 0.58961568261378 0.24935305892759 192.217 > 109 112 Ir 0.75644420327021 0.58961568261378 0.24935305892759 192.217 > 109 113 Ir 0.25644420327021 0.92294901594712 0.24935305892759 192.217 > 109 114 Ir 0.75644420327021 0.92294901594712 0.24935305892759 192.217 > 109 115 Ir 0.25644420327021 0.25628234928045 0.74935305892759 192.217 > 109 116 Ir 0.75644420327021 0.25628234928045 0.74935305892759 192.217 > 109 117 Ir 0.25644420327021 0.58961568261378 0.74935305892759 192.217 > 109 118 Ir 0.75644420327021 0.58961568261378 0.74935305892759 192.217 > 109 119 Ir 0.25644420327021 0.92294901594712 0.74935305892759 192.217 > 109 120 Ir 0.75644420327021 0.92294901594712 0.74935305892759 192.217 > 109 121 Ir 0.00644420327021 0.07705098405288 0.24935305892759 192.217 > 121 122 Ir 0.50644420327021 0.07705098405288 0.24935305892759 192.217 > 121 123 Ir 0.00644420327021 0.41038431738622 0.24935305892759 192.217 > 121 124 Ir 0.50644420327021 0.41038431738622 0.24935305892759 192.217 > 121 125 Ir 0.00644420327021 0.74371765071955 0.24935305892759 192.217 > 121 126 Ir 0.50644420327021 0.74371765071955 0.24935305892759 192.217 > 121 127 Ir 0.00644420327021 0.07705098405288 0.74935305892759 192.217 > 121 128 Ir 0.50644420327021 0.07705098405288 0.74935305892759 192.217 > 121 129 Ir 0.00644420327021 0.41038431738622 0.74935305892759 192.217 > 121 130 Ir 0.50644420327021 0.41038431738622 0.74935305892759 192.217 > 121 131 Ir 0.00644420327021 0.74371765071955 0.74935305892759 192.217 > 121 132 Ir 0.50644420327021 0.74371765071955 0.74935305892759 192.217 > 121 133 Ir 0.49355579672979 0.25628234928045 0.49935305892759 192.217 > 133 134 Ir 0.99355579672979 0.25628234928045 0.49935305892759 192.217 > 133 135 Ir 0.49355579672979 0.58961568261378 0.49935305892759 192.217 > 133 136 Ir 0.99355579672979 0.58961568261378 0.49935305892759 192.217 > 133 137 Ir 0.49355579672979 0.92294901594712 0.49935305892759 192.217 > 133 138 Ir 0.99355579672979 0.92294901594712 0.49935305892759 192.217 > 133 139 Ir 0.49355579672979 0.25628234928045 0.99935305892759 192.217 > 133 140 Ir 0.99355579672979 0.25628234928045 0.99935305892759 192.217 > 133 141 Ir 0.49355579672979 0.58961568261378 0.99935305892759 192.217 > 133 142 Ir 0.99355579672979 0.58961568261378 0.99935305892759 192.217 > 133 143 Ir 0.49355579672979 0.92294901594712 0.99935305892759 192.217 > 133 144 Ir 0.99355579672979 0.92294901594712 0.99935305892759 192.217 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.6093223 0.0000000 0.0000000 0.0000000 16.8595585 0.0000000 0.0000000 0.0000000 16.9726160 -------------------------- Born effective charges -------------------------- 1 S 0.2594508 -0.4632958 -0.0161489 -0.1144143 0.6306356 -0.0165059 -0.2765709 0.2760696 0.0438161 2 S 0.2594508 -0.4632958 0.0161489 -0.1144143 0.6306356 0.0165059 0.2765709 -0.2760696 0.0438161 3 S 0.2594508 0.4632958 0.0161489 0.1144143 0.6306356 -0.0165059 0.2765709 0.2760696 0.0438161 4 S 0.2594508 0.4632958 -0.0161489 0.1144143 0.6306356 0.0165059 -0.2765709 -0.2760696 0.0438161 5 Sb 3.6802880 0.0063957 -0.2046284 0.2445402 3.4558870 -0.3073242 -0.0403630 -0.1639412 3.6801510 6 Sb 3.6802880 0.0063957 0.2046284 0.2445402 3.4558870 0.3073242 0.0403630 0.1639412 3.6801510 7 Sb 3.6802880 -0.0063957 0.2046284 -0.2445402 3.4558870 -0.3073242 0.0403630 -0.1639412 3.6801510 8 Sb 3.6802880 -0.0063957 -0.2046284 -0.2445402 3.4558870 0.3073242 -0.0403630 0.1639412 3.6801510 9 Ir -3.9397387 0.1798364 0.5807807 0.5252640 -4.0865226 -0.5815707 0.4474346 -0.7829959 -3.7239671 10 Ir -3.9397387 0.1798364 -0.5807807 0.5252640 -4.0865226 0.5815707 -0.4474346 0.7829959 -3.7239671 11 Ir -3.9397387 -0.1798364 -0.5807807 -0.5252640 -4.0865226 -0.5815707 -0.4474346 -0.7829959 -3.7239671 12 Ir -3.9397387 -0.1798364 0.5807807 -0.5252640 -4.0865226 0.5815707 0.4474346 0.7829959 -3.7239671 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:17:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:17:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.032617130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.020882590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.031748200000002 Atomic positions (fractional): 1 S 0.88158002065075 0.87435698763263 0.62170019619021 32.065 2 S 0.11841997934925 0.12564301236737 0.12170019619021 32.065 3 S 0.61841997934925 0.87435698763263 0.12170019619021 32.065 4 S 0.38158002065075 0.12564301236737 0.62170019619021 32.065 5 Sb 0.62123782744082 0.36620787236270 0.38179369595462 121.760 6 Sb 0.37876217255918 0.63379212763730 0.88179369595462 121.760 7 Sb 0.87876217255918 0.36620787236270 0.88179369595462 121.760 8 Sb 0.12123782744082 0.63379212763730 0.38179369595462 121.760 9 Ir 0.48711159345958 0.23115295215865 0.99870611785517 192.217 10 Ir 0.51288840654042 0.76884704784135 0.49870611785517 192.217 11 Ir 0.01288840654042 0.23115295215865 0.49870611785517 192.217 12 Ir 0.98711159345958 0.76884704784135 0.99870611785517 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.065234260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.062647770000002 0.000000000000000 c 0.000000000000000 0.000000000000000 12.063496400000004 Atomic positions (fractional): 1 S 0.44079001032538 0.29145232921088 0.31085009809511 32.065 > 1 2 S 0.94079001032538 0.29145232921088 0.31085009809511 32.065 > 1 3 S 0.44079001032538 0.62478566254421 0.31085009809511 32.065 > 1 4 S 0.94079001032538 0.62478566254421 0.31085009809511 32.065 > 1 5 S 0.44079001032538 0.95811899587754 0.31085009809511 32.065 > 1 6 S 0.94079001032538 0.95811899587754 0.31085009809511 32.065 > 1 7 S 0.44079001032538 0.29145232921088 0.81085009809511 32.065 > 1 8 S 0.94079001032538 0.29145232921088 0.81085009809511 32.065 > 1 9 S 0.44079001032538 0.62478566254421 0.81085009809511 32.065 > 1 10 S 0.94079001032538 0.62478566254421 0.81085009809511 32.065 > 1 11 S 0.44079001032538 0.95811899587754 0.81085009809511 32.065 > 1 12 S 0.94079001032538 0.95811899587754 0.81085009809511 32.065 > 1 13 S 0.05920998967462 0.04188100412246 0.06085009809511 32.065 > 13 14 S 0.55920998967462 0.04188100412246 0.06085009809511 32.065 > 13 15 S 0.05920998967462 0.37521433745579 0.06085009809511 32.065 > 13 16 S 0.55920998967462 0.37521433745579 0.06085009809511 32.065 > 13 17 S 0.05920998967462 0.70854767078912 0.06085009809511 32.065 > 13 18 S 0.55920998967462 0.70854767078912 0.06085009809511 32.065 > 13 19 S 0.05920998967462 0.04188100412246 0.56085009809511 32.065 > 13 20 S 0.55920998967462 0.04188100412246 0.56085009809511 32.065 > 13 21 S 0.05920998967462 0.37521433745579 0.56085009809511 32.065 > 13 22 S 0.55920998967462 0.37521433745579 0.56085009809511 32.065 > 13 23 S 0.05920998967462 0.70854767078912 0.56085009809511 32.065 > 13 24 S 0.55920998967462 0.70854767078912 0.56085009809511 32.065 > 13 25 S 0.30920998967462 0.29145232921088 0.06085009809511 32.065 > 25 26 S 0.80920998967462 0.29145232921088 0.06085009809511 32.065 > 25 27 S 0.30920998967462 0.62478566254421 0.06085009809511 32.065 > 25 28 S 0.80920998967462 0.62478566254421 0.06085009809511 32.065 > 25 29 S 0.30920998967462 0.95811899587754 0.06085009809511 32.065 > 25 30 S 0.80920998967462 0.95811899587754 0.06085009809511 32.065 > 25 31 S 0.30920998967462 0.29145232921088 0.56085009809511 32.065 > 25 32 S 0.80920998967462 0.29145232921088 0.56085009809511 32.065 > 25 33 S 0.30920998967462 0.62478566254421 0.56085009809511 32.065 > 25 34 S 0.80920998967462 0.62478566254421 0.56085009809511 32.065 > 25 35 S 0.30920998967462 0.95811899587754 0.56085009809511 32.065 > 25 36 S 0.80920998967462 0.95811899587754 0.56085009809511 32.065 > 25 37 S 0.19079001032538 0.04188100412246 0.31085009809511 32.065 > 37 38 S 0.69079001032538 0.04188100412246 0.31085009809511 32.065 > 37 39 S 0.19079001032538 0.37521433745579 0.31085009809511 32.065 > 37 40 S 0.69079001032538 0.37521433745579 0.31085009809511 32.065 > 37 41 S 0.19079001032538 0.70854767078912 0.31085009809511 32.065 > 37 42 S 0.69079001032538 0.70854767078912 0.31085009809511 32.065 > 37 43 S 0.19079001032538 0.04188100412246 0.81085009809511 32.065 > 37 44 S 0.69079001032538 0.04188100412246 0.81085009809511 32.065 > 37 45 S 0.19079001032538 0.37521433745579 0.81085009809511 32.065 > 37 46 S 0.69079001032538 0.37521433745579 0.81085009809511 32.065 > 37 47 S 0.19079001032538 0.70854767078912 0.81085009809511 32.065 > 37 48 S 0.69079001032538 0.70854767078912 0.81085009809511 32.065 > 37 49 Sb 0.31061891372041 0.12206929078757 0.19089684797731 121.760 > 49 50 Sb 0.81061891372041 0.12206929078757 0.19089684797731 121.760 > 49 51 Sb 0.31061891372041 0.45540262412090 0.19089684797731 121.760 > 49 52 Sb 0.81061891372041 0.45540262412090 0.19089684797731 121.760 > 49 53 Sb 0.31061891372041 0.78873595745423 0.19089684797731 121.760 > 49 54 Sb 0.81061891372041 0.78873595745423 0.19089684797731 121.760 > 49 55 Sb 0.31061891372041 0.12206929078757 0.69089684797731 121.760 > 49 56 Sb 0.81061891372041 0.12206929078757 0.69089684797731 121.760 > 49 57 Sb 0.31061891372041 0.45540262412090 0.69089684797731 121.760 > 49 58 Sb 0.81061891372041 0.45540262412090 0.69089684797731 121.760 > 49 59 Sb 0.31061891372041 0.78873595745423 0.69089684797731 121.760 > 49 60 Sb 0.81061891372041 0.78873595745423 0.69089684797731 121.760 > 49 61 Sb 0.18938108627959 0.21126404254577 0.44089684797731 121.760 > 61 62 Sb 0.68938108627959 0.21126404254577 0.44089684797731 121.760 > 61 63 Sb 0.18938108627959 0.54459737587910 0.44089684797731 121.760 > 61 64 Sb 0.68938108627959 0.54459737587910 0.44089684797731 121.760 > 61 65 Sb 0.18938108627959 0.87793070921243 0.44089684797731 121.760 > 61 66 Sb 0.68938108627959 0.87793070921243 0.44089684797731 121.760 > 61 67 Sb 0.18938108627959 0.21126404254577 0.94089684797731 121.760 > 61 68 Sb 0.68938108627959 0.21126404254577 0.94089684797731 121.760 > 61 69 Sb 0.18938108627959 0.54459737587910 0.94089684797731 121.760 > 61 70 Sb 0.68938108627959 0.54459737587910 0.94089684797731 121.760 > 61 71 Sb 0.18938108627959 0.87793070921243 0.94089684797731 121.760 > 61 72 Sb 0.68938108627959 0.87793070921243 0.94089684797731 121.760 > 61 73 Sb 0.43938108627959 0.12206929078757 0.44089684797731 121.760 > 73 74 Sb 0.93938108627959 0.12206929078757 0.44089684797731 121.760 > 73 75 Sb 0.43938108627959 0.45540262412090 0.44089684797731 121.760 > 73 76 Sb 0.93938108627959 0.45540262412090 0.44089684797731 121.760 > 73 77 Sb 0.43938108627959 0.78873595745423 0.44089684797731 121.760 > 73 78 Sb 0.93938108627959 0.78873595745423 0.44089684797731 121.760 > 73 79 Sb 0.43938108627959 0.12206929078757 0.94089684797731 121.760 > 73 80 Sb 0.93938108627959 0.12206929078757 0.94089684797731 121.760 > 73 81 Sb 0.43938108627959 0.45540262412090 0.94089684797731 121.760 > 73 82 Sb 0.93938108627959 0.45540262412090 0.94089684797731 121.760 > 73 83 Sb 0.43938108627959 0.78873595745423 0.94089684797731 121.760 > 73 84 Sb 0.93938108627959 0.78873595745423 0.94089684797731 121.760 > 73 85 Sb 0.06061891372041 0.21126404254577 0.19089684797731 121.760 > 85 86 Sb 0.56061891372041 0.21126404254577 0.19089684797731 121.760 > 85 87 Sb 0.06061891372041 0.54459737587910 0.19089684797731 121.760 > 85 88 Sb 0.56061891372041 0.54459737587910 0.19089684797731 121.760 > 85 89 Sb 0.06061891372041 0.87793070921243 0.19089684797731 121.760 > 85 90 Sb 0.56061891372041 0.87793070921243 0.19089684797731 121.760 > 85 91 Sb 0.06061891372041 0.21126404254577 0.69089684797731 121.760 > 85 92 Sb 0.56061891372041 0.21126404254577 0.69089684797731 121.760 > 85 93 Sb 0.06061891372041 0.54459737587910 0.69089684797731 121.760 > 85 94 Sb 0.56061891372041 0.54459737587910 0.69089684797731 121.760 > 85 95 Sb 0.06061891372041 0.87793070921243 0.69089684797731 121.760 > 85 96 Sb 0.56061891372041 0.87793070921243 0.69089684797731 121.760 > 85 97 Ir 0.24355579672979 0.07705098405288 0.49935305892759 192.217 > 97 98 Ir 0.74355579672979 0.07705098405288 0.49935305892759 192.217 > 97 99 Ir 0.24355579672979 0.41038431738622 0.49935305892759 192.217 > 97 100 Ir 0.74355579672979 0.41038431738622 0.49935305892759 192.217 > 97 101 Ir 0.24355579672979 0.74371765071955 0.49935305892759 192.217 > 97 102 Ir 0.74355579672979 0.74371765071955 0.49935305892759 192.217 > 97 103 Ir 0.24355579672979 0.07705098405288 0.99935305892759 192.217 > 97 104 Ir 0.74355579672979 0.07705098405288 0.99935305892759 192.217 > 97 105 Ir 0.24355579672979 0.41038431738622 0.99935305892759 192.217 > 97 106 Ir 0.74355579672979 0.41038431738622 0.99935305892759 192.217 > 97 107 Ir 0.24355579672979 0.74371765071955 0.99935305892759 192.217 > 97 108 Ir 0.74355579672979 0.74371765071955 0.99935305892759 192.217 > 97 109 Ir 0.25644420327021 0.25628234928045 0.24935305892759 192.217 > 109 110 Ir 0.75644420327021 0.25628234928045 0.24935305892759 192.217 > 109 111 Ir 0.25644420327021 0.58961568261378 0.24935305892759 192.217 > 109 112 Ir 0.75644420327021 0.58961568261378 0.24935305892759 192.217 > 109 113 Ir 0.25644420327021 0.92294901594712 0.24935305892759 192.217 > 109 114 Ir 0.75644420327021 0.92294901594712 0.24935305892759 192.217 > 109 115 Ir 0.25644420327021 0.25628234928045 0.74935305892759 192.217 > 109 116 Ir 0.75644420327021 0.25628234928045 0.74935305892759 192.217 > 109 117 Ir 0.25644420327021 0.58961568261378 0.74935305892759 192.217 > 109 118 Ir 0.75644420327021 0.58961568261378 0.74935305892759 192.217 > 109 119 Ir 0.25644420327021 0.92294901594712 0.74935305892759 192.217 > 109 120 Ir 0.75644420327021 0.92294901594712 0.74935305892759 192.217 > 109 121 Ir 0.00644420327021 0.07705098405288 0.24935305892759 192.217 > 121 122 Ir 0.50644420327021 0.07705098405288 0.24935305892759 192.217 > 121 123 Ir 0.00644420327021 0.41038431738622 0.24935305892759 192.217 > 121 124 Ir 0.50644420327021 0.41038431738622 0.24935305892759 192.217 > 121 125 Ir 0.00644420327021 0.74371765071955 0.24935305892759 192.217 > 121 126 Ir 0.50644420327021 0.74371765071955 0.24935305892759 192.217 > 121 127 Ir 0.00644420327021 0.07705098405288 0.74935305892759 192.217 > 121 128 Ir 0.50644420327021 0.07705098405288 0.74935305892759 192.217 > 121 129 Ir 0.00644420327021 0.41038431738622 0.74935305892759 192.217 > 121 130 Ir 0.50644420327021 0.41038431738622 0.74935305892759 192.217 > 121 131 Ir 0.00644420327021 0.74371765071955 0.74935305892759 192.217 > 121 132 Ir 0.50644420327021 0.74371765071955 0.74935305892759 192.217 > 121 133 Ir 0.49355579672979 0.25628234928045 0.49935305892759 192.217 > 133 134 Ir 0.99355579672979 0.25628234928045 0.49935305892759 192.217 > 133 135 Ir 0.49355579672979 0.58961568261378 0.49935305892759 192.217 > 133 136 Ir 0.99355579672979 0.58961568261378 0.49935305892759 192.217 > 133 137 Ir 0.49355579672979 0.92294901594712 0.49935305892759 192.217 > 133 138 Ir 0.99355579672979 0.92294901594712 0.49935305892759 192.217 > 133 139 Ir 0.49355579672979 0.25628234928045 0.99935305892759 192.217 > 133 140 Ir 0.99355579672979 0.25628234928045 0.99935305892759 192.217 > 133 141 Ir 0.49355579672979 0.58961568261378 0.99935305892759 192.217 > 133 142 Ir 0.99355579672979 0.58961568261378 0.99935305892759 192.217 > 133 143 Ir 0.49355579672979 0.92294901594712 0.99935305892759 192.217 > 133 144 Ir 0.99355579672979 0.92294901594712 0.99935305892759 192.217 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 16.6093223 0.0000000 0.0000000 0.0000000 16.8595585 0.0000000 0.0000000 0.0000000 16.9726160 -------------------------- Born effective charges -------------------------- 1 S 0.2594508 -0.4632958 -0.0161489 -0.1144143 0.6306356 -0.0165059 -0.2765709 0.2760696 0.0438161 2 S 0.2594508 -0.4632958 0.0161489 -0.1144143 0.6306356 0.0165059 0.2765709 -0.2760696 0.0438161 3 S 0.2594508 0.4632958 0.0161489 0.1144143 0.6306356 -0.0165059 0.2765709 0.2760696 0.0438161 4 S 0.2594508 0.4632958 -0.0161489 0.1144143 0.6306356 0.0165059 -0.2765709 -0.2760696 0.0438161 5 Sb 3.6802880 0.0063957 -0.2046284 0.2445402 3.4558870 -0.3073242 -0.0403630 -0.1639412 3.6801510 6 Sb 3.6802880 0.0063957 0.2046284 0.2445402 3.4558870 0.3073242 0.0403630 0.1639412 3.6801510 7 Sb 3.6802880 -0.0063957 0.2046284 -0.2445402 3.4558870 -0.3073242 0.0403630 -0.1639412 3.6801510 8 Sb 3.6802880 -0.0063957 -0.2046284 -0.2445402 3.4558870 0.3073242 -0.0403630 0.1639412 3.6801510 9 Ir -3.9397387 0.1798364 0.5807807 0.5252640 -4.0865226 -0.5815707 0.4474346 -0.7829959 -3.7239671 10 Ir -3.9397387 0.1798364 -0.5807807 0.5252640 -4.0865226 0.5815707 -0.4474346 0.7829959 -3.7239671 11 Ir -3.9397387 -0.1798364 -0.5807807 -0.5252640 -4.0865226 -0.5815707 -0.4474346 -0.7829959 -3.7239671 12 Ir -3.9397387 -0.1798364 0.5807807 -0.5252640 -4.0865226 0.5815707 0.4474346 0.7829959 -3.7239671 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] 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: 0.69, Number of G-points: 305, Lambda: 0.29 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 125 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 3.202 ( 0.000 0.000 -0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.269 ( 0.000 0.000 -0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 -0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 -0.000) 0.000 4.741 ( 0.000 0.000 -0.000) 0.000 4.953 ( 0.000 0.000 -0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 5.997 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.215 ( 0.000 0.000 -0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.840 ( 0.000 0.000 0.000) 0.000 6.914 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 9.223 ( 0.000 0.000 0.000) 0.000 9.366 ( 0.000 0.000 0.000) 0.000 9.414 ( 0.000 0.000 0.000) 0.000 9.524 ( 0.000 0.000 -0.000) 0.000 10.077 ( 0.000 0.000 0.000) 0.000 10.111 ( 0.000 0.000 0.000) 0.000 10.327 ( 0.000 0.000 0.000) 0.000 10.398 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 0.000 0.000) 0.000 10.862 ( 0.000 0.000 0.000) 0.000 10.863 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 27.623 0.000 0.000) 27.623 0.586 ( 28.081 0.000 0.000) 28.081 1.147 ( 53.637 0.000 0.000) 53.637 3.102 ( -6.348 0.000 0.000) 6.348 3.300 ( -7.360 0.000 0.000) 7.360 3.344 ( 7.423 0.000 0.000) 7.423 3.354 ( 7.405 0.000 0.000) 7.405 3.559 ( 0.880 0.000 0.000) 0.880 3.715 ( 2.254 0.000 0.000) 2.254 4.611 ( -5.311 0.000 0.000) 5.311 4.696 ( -4.172 0.000 0.000) 4.172 4.730 ( -1.274 0.000 0.000) 1.274 4.913 ( -3.694 0.000 0.000) 3.694 4.962 ( -3.449 0.000 0.000) 3.449 5.006 ( -0.716 0.000 0.000) 0.716 5.281 ( -3.900 0.000 0.000) 3.900 5.977 ( 2.512 0.000 0.000) 2.512 6.143 ( 2.346 0.000 0.000) 2.346 6.151 ( -3.577 0.000 0.000) 3.577 6.310 ( 3.087 0.000 0.000) 3.087 6.393 ( 0.939 0.000 0.000) 0.939 6.771 ( -4.778 0.000 0.000) 4.778 6.956 ( 2.340 0.000 0.000) 2.340 7.067 ( -0.974 0.000 0.000) 0.974 8.925 ( 0.252 0.000 0.000) 0.252 9.208 ( -1.393 0.000 0.000) 1.393 9.394 ( -1.482 0.000 0.000) 1.482 9.425 ( 3.050 0.000 0.000) 3.050 9.520 ( -0.481 0.000 0.000) 0.481 10.064 ( -1.225 0.000 0.000) 1.225 10.107 ( -1.403 0.000 0.000) 1.403 10.313 ( -1.766 0.000 0.000) 1.766 10.438 ( 3.357 0.000 0.000) 3.357 10.707 ( -4.264 0.000 0.000) 4.264 10.857 ( -0.549 0.000 0.000) 0.549 10.883 ( 0.952 0.000 0.000) 0.952 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 26.644 0.000 0.000) 26.644 1.160 ( 27.194 0.000 0.000) 27.194 2.183 ( 45.092 0.000 0.000) 45.092 2.914 ( -12.199 0.000 0.000) 12.199 3.076 ( -13.233 0.000 0.000) 13.233 3.517 ( 8.918 0.000 0.000) 8.918 3.568 ( 12.295 0.000 0.000) 12.295 3.627 ( 6.190 0.000 0.000) 6.190 3.771 ( 2.653 0.000 0.000) 2.653 4.463 ( -8.542 0.000 0.000) 8.542 4.563 ( -8.566 0.000 0.000) 8.566 4.669 ( -5.181 0.000 0.000) 5.181 4.814 ( -5.338 0.000 0.000) 5.338 4.871 ( -5.034 0.000 0.000) 5.034 4.986 ( -0.911 0.000 0.000) 0.911 5.184 ( -5.086 0.000 0.000) 5.086 6.026 ( 1.831 0.000 0.000) 1.831 6.087 ( -2.433 0.000 0.000) 2.433 6.208 ( 3.723 0.000 0.000) 3.723 6.361 ( 1.738 0.000 0.000) 1.738 6.422 ( 1.839 0.000 0.000) 1.839 6.668 ( -4.889 0.000 0.000) 4.889 6.992 ( 1.170 0.000 0.000) 1.170 7.043 ( -1.180 0.000 0.000) 1.180 8.941 ( 1.460 0.000 0.000) 1.460 9.167 ( -2.549 0.000 0.000) 2.549 9.359 ( -1.518 0.000 0.000) 1.518 9.499 ( -1.620 0.000 0.000) 1.620 9.512 ( 5.056 0.000 0.000) 5.056 10.028 ( -2.497 0.000 0.000) 2.497 10.081 ( -0.932 0.000 0.000) 0.932 10.237 ( -5.489 0.000 0.000) 5.489 10.516 ( 3.787 0.000 0.000) 3.787 10.634 ( -2.173 0.000 0.000) 2.173 10.845 ( -0.564 0.000 0.000) 0.564 10.890 ( -0.296 0.000 0.000) 0.296 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 24.781 0.000 0.000) 24.781 1.707 ( 25.461 0.000 0.000) 25.461 2.599 ( -17.834 0.000 0.000) 17.834 2.648 ( -14.135 0.000 0.000) 14.135 3.096 ( 28.398 0.000 0.000) 28.398 3.699 ( 7.740 0.000 0.000) 7.740 3.762 ( 1.872 0.000 0.000) 1.872 3.825 ( 11.039 0.000 0.000) 11.039 3.847 ( 8.872 0.000 0.000) 8.872 4.279 ( -8.126 0.000 0.000) 8.126 4.351 ( -11.411 0.000 0.000) 11.411 4.504 ( -10.472 0.000 0.000) 10.472 4.716 ( -3.547 0.000 0.000) 3.547 4.764 ( -4.968 0.000 0.000) 4.968 4.980 ( 0.552 0.000 0.000) 0.552 5.085 ( -4.268 0.000 0.000) 4.268 6.047 ( 0.300 0.000 0.000) 0.300 6.053 ( -0.858 0.000 0.000) 0.858 6.286 ( 3.627 0.000 0.000) 3.627 6.378 ( -0.206 0.000 0.000) 0.206 6.465 ( 2.183 0.000 0.000) 2.183 6.576 ( -3.812 0.000 0.000) 3.812 7.007 ( 0.391 0.000 0.000) 0.391 7.023 ( -0.717 0.000 0.000) 0.717 8.985 ( 2.631 0.000 0.000) 2.631 9.107 ( -3.067 0.000 0.000) 3.067 9.347 ( 0.695 0.000 0.000) 0.695 9.452 ( -2.845 0.000 0.000) 2.845 9.630 ( 6.329 0.000 0.000) 6.329 9.935 ( -6.769 0.000 0.000) 6.769 10.071 ( -0.009 0.000 0.000) 0.009 10.128 ( -3.750 0.000 0.000) 3.750 10.582 ( 2.370 0.000 0.000) 2.370 10.615 ( -0.141 0.000 0.000) 0.141 10.839 ( 0.162 0.000 0.000) 0.162 10.875 ( -1.024 0.000 0.000) 1.024 ======================= Grid point 4 (5/125) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -7.077 0.000 0.000) 7.077 2.121 ( 7.077 0.000 0.000) 7.077 2.273 ( -7.941 0.000 0.000) 7.941 2.273 ( 7.941 0.000 0.000) 7.941 3.589 ( -15.767 0.000 0.000) 15.767 3.589 ( 15.767 0.000 0.000) 15.767 3.892 ( -5.949 0.000 0.000) 5.949 3.892 ( 5.949 0.000 0.000) 5.949 4.088 ( -12.410 0.000 0.000) 12.410 4.088 ( 12.410 0.000 0.000) 12.410 4.280 ( -8.625 0.000 0.000) 8.625 4.280 ( 8.625 0.000 0.000) 8.625 4.690 ( -1.423 0.000 0.000) 1.423 4.690 ( 1.423 0.000 0.000) 1.423 5.013 ( -2.565 0.000 0.000) 2.565 5.013 ( 2.565 0.000 0.000) 2.565 6.047 ( -0.093 0.000 0.000) 0.093 6.047 ( 0.093 0.000 0.000) 0.093 6.350 ( -2.363 0.000 0.000) 2.363 6.350 ( 2.363 0.000 0.000) 2.363 6.512 ( -2.515 0.000 0.000) 2.515 6.512 ( 2.515 0.000 0.000) 2.515 7.013 ( -0.280 0.000 0.000) 0.280 7.013 ( 0.280 0.000 0.000) 0.280 9.044 ( -2.982 0.000 0.000) 2.982 9.044 ( 2.982 0.000 0.000) 2.982 9.388 ( -2.951 0.000 0.000) 2.951 9.388 ( 2.951 0.000 0.000) 2.951 9.776 ( -7.753 0.000 0.000) 7.753 9.776 ( 7.753 0.000 0.000) 7.753 10.082 ( -1.146 0.000 0.000) 1.146 10.082 ( 1.146 0.000 0.000) 1.146 10.611 ( -0.542 0.000 0.000) 0.542 10.611 ( 0.542 0.000 0.000) 0.542 10.852 ( -1.003 0.000 0.000) 1.003 10.852 ( 1.003 0.000 0.000) 1.003 ======================= Grid point 9 (6/125) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.000 27.475 0.000) 27.475 0.573 ( 0.000 27.642 0.000) 27.642 1.159 ( 0.000 54.193 0.000) 54.193 3.160 ( 0.000 -6.612 0.000) 6.612 3.196 ( 0.000 -3.513 0.000) 3.513 3.336 ( 0.000 4.484 0.000) 4.484 3.399 ( 0.000 5.932 0.000) 5.932 3.583 ( 0.000 3.041 0.000) 3.041 3.683 ( 0.000 -0.113 0.000) 0.113 4.640 ( 0.000 -0.544 0.000) 0.544 4.643 ( 0.000 -5.811 0.000) 5.811 4.783 ( 0.000 -0.254 0.000) 0.254 4.923 ( 0.000 -2.990 0.000) 2.990 4.981 ( 0.000 -2.373 0.000) 2.373 5.116 ( 0.000 -2.820 0.000) 2.820 5.147 ( 0.000 -3.444 0.000) 3.444 5.964 ( 0.000 1.664 0.000) 1.664 6.006 ( 0.000 0.674 0.000) 0.674 6.141 ( 0.000 1.850 0.000) 1.850 6.227 ( 0.000 1.150 0.000) 1.150 6.248 ( 0.000 -0.185 0.000) 0.185 6.895 ( 0.000 -1.550 0.000) 1.550 6.906 ( 0.000 -0.921 0.000) 0.921 7.308 ( 0.000 -2.977 0.000) 2.977 8.903 ( 0.000 -1.868 0.000) 1.868 9.212 ( 0.000 -1.409 0.000) 1.409 9.372 ( 0.000 0.635 0.000) 0.635 9.435 ( 0.000 1.940 0.000) 1.940 9.528 ( 0.000 0.525 0.000) 0.525 10.075 ( 0.000 -0.258 0.000) 0.258 10.103 ( 0.000 -0.859 0.000) 0.859 10.350 ( 0.000 0.231 0.000) 0.231 10.403 ( 0.000 0.350 0.000) 0.350 10.764 ( 0.000 -0.260 0.000) 0.260 10.853 ( 0.000 -1.969 0.000) 1.969 10.866 ( 0.000 0.298 0.000) 0.298 ======================= Grid point 10 (7/125) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 19.697 19.438 0.000) 27.673 1.040 ( 24.951 23.110 0.000) 34.009 1.479 ( 33.174 34.898 0.000) 48.149 3.088 ( -5.031 -2.181 0.000) 5.483 3.288 ( 6.478 -4.731 0.000) 8.022 3.360 ( -4.325 4.636 0.000) 6.340 3.393 ( 5.172 4.364 0.000) 6.767 3.568 ( -0.454 1.141 0.000) 1.228 3.715 ( 2.700 0.207 0.000) 2.708 4.557 ( -5.177 -4.259 0.000) 6.704 4.630 ( -3.598 -3.009 0.000) 4.691 4.758 ( -2.295 -0.765 0.000) 2.419 4.876 ( -3.432 -2.019 0.000) 3.981 4.961 ( -2.254 -1.785 0.000) 2.876 5.017 ( -3.785 -0.140 0.000) 3.787 5.201 ( -1.166 -6.153 0.000) 6.262 5.984 ( 1.848 0.671 0.000) 1.966 6.120 ( -0.673 -1.732 0.000) 1.858 6.169 ( 6.288 -5.558 0.000) 8.392 6.197 ( 1.658 2.587 0.000) 3.073 6.319 ( 3.768 -0.332 0.000) 3.782 6.827 ( -5.652 0.471 0.000) 5.672 6.920 ( 1.288 -1.796 0.000) 2.209 7.197 ( -6.125 3.680 0.000) 7.145 8.911 ( 0.830 -1.287 0.000) 1.532 9.202 ( -0.831 -0.685 0.000) 1.077 9.414 ( 1.420 0.186 0.000) 1.432 9.416 ( 0.308 1.455 0.000) 1.487 9.527 ( -0.118 0.739 0.000) 0.749 10.062 ( -1.162 -0.145 0.000) 1.171 10.099 ( -0.541 -0.649 0.000) 0.845 10.324 ( -2.363 0.506 0.000) 2.417 10.441 ( 3.270 0.229 0.000) 3.278 10.709 ( -3.917 0.157 0.000) 3.920 10.856 ( -0.186 -0.449 0.000) 0.486 10.873 ( 0.613 -0.676 0.000) 0.912 ======================= Grid point 11 (8/125) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 23.798 12.501 0.000) 26.882 1.486 ( 20.873 24.927 0.000) 32.512 2.310 ( 40.389 12.864 0.000) 42.388 2.933 ( -10.553 1.902 0.000) 10.723 3.165 ( -12.094 7.965 0.000) 14.481 3.454 ( 8.476 -5.195 0.000) 9.941 3.555 ( 8.383 -1.761 0.000) 8.566 3.624 ( 6.849 -0.563 0.000) 6.872 3.785 ( 4.033 1.915 0.000) 4.465 4.421 ( -7.800 -3.861 0.000) 8.703 4.505 ( -8.297 -3.773 0.000) 9.115 4.681 ( -5.382 -1.311 0.000) 5.539 4.796 ( -4.356 -0.099 0.000) 4.357 4.878 ( -5.195 -0.195 0.000) 5.199 4.963 ( -1.582 -2.405 0.000) 2.879 5.135 ( -4.281 -4.303 0.000) 6.070 6.017 ( 1.004 -0.764 0.000) 1.262 6.080 ( -1.742 -0.503 0.000) 1.814 6.237 ( 3.199 1.976 0.000) 3.760 6.296 ( 3.891 -4.891 0.000) 6.250 6.387 ( 2.697 -0.868 0.000) 2.834 6.703 ( -5.828 1.299 0.000) 5.971 6.950 ( 1.467 -2.253 0.000) 2.688 7.101 ( -3.554 2.653 0.000) 4.435 8.942 ( 2.262 0.070 0.000) 2.263 9.176 ( -1.765 0.725 0.000) 1.908 9.381 ( -1.397 2.022 0.000) 2.458 9.481 ( 1.474 -0.619 0.000) 1.598 9.536 ( 2.440 1.472 0.000) 2.849 10.026 ( -2.608 -0.172 0.000) 2.614 10.086 ( -0.554 0.253 0.000) 0.609 10.245 ( -5.173 0.644 0.000) 5.213 10.518 ( 3.797 0.196 0.000) 3.802 10.642 ( -2.081 0.689 0.000) 2.192 10.848 ( -0.418 0.211 0.000) 0.468 10.879 ( -0.141 -0.781 0.000) 0.794 ======================= Grid point 12 (9/125) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 23.216 8.876 0.000) 24.855 1.926 ( 21.218 18.475 0.000) 28.134 2.644 ( -16.190 4.242 0.000) 16.737 2.759 ( -12.029 10.240 0.000) 15.797 3.161 ( 24.848 6.166 0.000) 25.602 3.634 ( 8.355 -5.260 0.000) 9.872 3.708 ( 3.968 -3.835 0.000) 5.518 3.792 ( 9.294 -3.629 0.000) 9.977 3.898 ( 6.321 3.678 0.000) 7.313 4.255 ( -7.586 -2.461 0.000) 7.975 4.301 ( -9.965 -3.528 0.000) 10.571 4.528 ( -9.529 0.562 0.000) 9.546 4.705 ( -3.579 -0.290 0.000) 3.591 4.766 ( -5.364 -0.160 0.000) 5.367 4.951 ( 0.476 -2.724 0.000) 2.765 5.047 ( -3.878 -3.279 0.000) 5.079 6.026 ( 0.217 -1.420 0.000) 1.437 6.054 ( -0.951 -0.395 0.000) 1.029 6.304 ( 2.993 1.522 0.000) 3.358 6.349 ( 1.266 -2.553 0.000) 2.850 6.439 ( 2.613 -1.414 0.000) 2.971 6.592 ( -4.815 0.620 0.000) 4.855 6.978 ( 1.195 -1.840 0.000) 2.194 7.041 ( -2.301 0.546 0.000) 2.365 9.001 ( 3.289 1.484 0.000) 3.608 9.130 ( -2.621 1.969 0.000) 3.279 9.371 ( 0.702 2.211 0.000) 2.320 9.463 ( -2.175 1.084 0.000) 2.430 9.636 ( 6.140 0.586 0.000) 6.168 9.934 ( -6.547 -0.188 0.000) 6.550 10.081 ( 0.161 0.724 0.000) 0.741 10.144 ( -3.658 1.299 0.000) 3.882 10.585 ( 2.450 0.316 0.000) 2.471 10.622 ( -0.201 0.690 0.000) 0.718 10.844 ( 0.075 0.390 0.000) 0.397 10.869 ( -0.724 -0.390 0.000) 0.822 ======================= Grid point 13 (10/125) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -13.095 7.264 0.000) 14.975 2.205 ( 13.095 7.264 0.000) 14.975 2.412 ( -13.320 12.832 0.000) 18.495 2.412 ( 13.320 12.832 0.000) 18.495 3.588 ( -11.619 -0.530 0.000) 11.631 3.588 ( 11.619 -0.530 0.000) 11.631 3.860 ( -5.658 -2.067 0.000) 6.023 3.860 ( 5.658 -2.067 0.000) 6.023 4.038 ( -10.247 -4.347 0.000) 11.131 4.038 ( 10.247 -4.347 0.000) 11.131 4.311 ( -9.233 2.138 0.000) 9.477 4.311 ( 9.233 2.138 0.000) 9.477 4.683 ( -1.060 -0.698 0.000) 1.269 4.683 ( 1.060 -0.698 0.000) 1.269 4.981 ( -1.754 -2.747 0.000) 3.259 4.981 ( 1.754 -2.747 0.000) 3.259 6.036 ( -0.740 -1.021 0.000) 1.261 6.036 ( 0.740 -1.021 0.000) 1.261 6.349 ( -0.106 -0.132 0.000) 0.169 6.349 ( 0.106 -0.132 0.000) 0.169 6.504 ( -0.980 -0.734 0.000) 1.225 6.504 ( 0.980 -0.734 0.000) 1.225 7.003 ( -1.324 -0.953 0.000) 1.631 7.003 ( 1.324 -0.953 0.000) 1.631 9.070 ( -3.109 2.275 0.000) 3.853 9.070 ( 3.109 2.275 0.000) 3.853 9.409 ( -2.273 1.953 0.000) 2.997 9.409 ( 2.273 1.953 0.000) 2.997 9.779 ( -7.514 0.295 0.000) 7.520 9.779 ( 7.514 0.295 0.000) 7.520 10.095 ( -1.061 1.084 0.000) 1.517 10.095 ( 1.061 1.084 0.000) 1.517 10.617 ( -0.451 0.528 0.000) 0.694 10.617 ( 0.451 0.528 0.000) 0.694 10.853 ( -0.283 0.108 0.000) 0.303 10.853 ( 0.283 0.108 0.000) 0.303 ======================= Grid point 18 (11/125) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.000 26.706 0.000) 26.706 1.146 ( 0.000 27.418 0.000) 27.418 2.201 ( 0.000 43.607 0.000) 43.607 2.990 ( 0.000 -8.133 0.000) 8.133 3.042 ( 0.000 -11.576 0.000) 11.576 3.455 ( 0.000 6.906 0.000) 6.906 3.528 ( 0.000 5.278 0.000) 5.278 3.710 ( 0.000 3.337 0.000) 3.337 3.719 ( 0.000 10.027 0.000) 10.027 4.517 ( 0.000 -5.942 0.000) 5.942 4.623 ( 0.000 -1.258 0.000) 1.258 4.727 ( 0.000 -5.073 0.000) 5.073 4.830 ( 0.000 -5.894 0.000) 5.894 4.901 ( 0.000 -5.345 0.000) 5.345 5.047 ( 0.000 -3.634 0.000) 3.634 5.048 ( 0.000 -5.788 0.000) 5.788 6.008 ( 0.000 2.352 0.000) 2.352 6.018 ( 0.000 0.331 0.000) 0.331 6.171 ( 0.000 0.774 0.000) 0.774 6.245 ( 0.000 -0.133 0.000) 0.133 6.276 ( 0.000 3.471 0.000) 3.471 6.858 ( 0.000 -1.745 0.000) 1.745 6.881 ( 0.000 -1.422 0.000) 1.422 7.222 ( 0.000 -4.981 0.000) 4.981 8.853 ( 0.000 -2.677 0.000) 2.677 9.172 ( 0.000 -2.186 0.000) 2.186 9.393 ( 0.000 1.384 0.000) 1.384 9.487 ( 0.000 2.847 0.000) 2.847 9.551 ( 0.000 1.719 0.000) 1.719 10.065 ( 0.000 -0.923 0.000) 0.923 10.074 ( 0.000 -1.706 0.000) 1.706 10.343 ( 0.000 -1.203 0.000) 1.203 10.410 ( 0.000 0.365 0.000) 0.365 10.756 ( 0.000 -0.471 0.000) 0.471 10.814 ( 0.000 -1.311 0.000) 1.311 10.873 ( 0.000 0.378 0.000) 0.378 ======================= Grid point 19 (12/125) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 12.637 23.750 0.000) 26.903 1.463 ( 24.862 20.483 0.000) 32.213 2.323 ( 12.132 38.219 0.000) 40.098 3.002 ( 1.048 -4.402 0.000) 4.525 3.120 ( 6.822 -11.327 0.000) 13.223 3.478 ( -2.568 5.316 0.000) 5.904 3.501 ( 2.029 5.018 0.000) 5.413 3.660 ( -5.158 8.790 0.000) 10.192 3.750 ( 3.668 3.718 0.000) 5.223 4.461 ( -4.946 -4.458 0.000) 6.659 4.570 ( -5.005 -3.080 0.000) 5.877 4.690 ( -3.270 -5.326 0.000) 6.250 4.820 ( -0.670 -4.203 0.000) 4.256 4.890 ( -1.028 -4.666 0.000) 4.778 4.979 ( -4.245 -3.335 0.000) 5.398 5.069 ( -0.570 -6.138 0.000) 6.164 6.002 ( 0.173 0.920 0.000) 0.936 6.080 ( 3.517 -0.897 0.000) 3.630 6.129 ( -1.740 -0.562 0.000) 1.828 6.269 ( 1.843 3.283 0.000) 3.765 6.319 ( 3.027 0.580 0.000) 3.082 6.811 ( -4.386 -1.404 0.000) 4.605 6.885 ( 0.792 -1.559 0.000) 1.749 7.190 ( -2.891 -3.016 0.000) 4.178 8.876 ( 2.200 -1.869 0.000) 2.887 9.179 ( 0.549 -1.467 0.000) 1.566 9.420 ( 2.277 0.852 0.000) 2.431 9.470 ( -1.226 3.017 0.000) 3.257 9.553 ( 0.247 1.802 0.000) 1.819 10.055 ( -0.967 -0.618 0.000) 1.148 10.078 ( 0.297 -1.427 0.000) 1.458 10.321 ( -2.152 -0.933 0.000) 2.345 10.446 ( 3.197 0.331 0.000) 3.214 10.713 ( -2.987 0.208 0.000) 2.994 10.831 ( 0.851 -1.207 0.000) 1.477 10.875 ( 0.139 0.430 0.000) 0.452 ======================= Grid point 20 (13/125) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 18.747 18.619 0.000) 26.422 1.963 ( 21.137 19.329 0.000) 28.642 2.687 ( 19.532 16.882 0.000) 25.817 3.014 ( 0.422 9.316 0.000) 9.325 3.286 ( 5.789 -8.361 0.000) 10.170 3.370 ( -4.262 7.106 0.000) 8.286 3.540 ( -0.725 1.913 0.000) 2.046 3.612 ( 4.043 0.422 0.000) 4.065 3.855 ( 6.170 4.566 0.000) 7.675 4.336 ( -6.714 -3.546 0.000) 7.593 4.417 ( -9.603 -5.044 0.000) 10.847 4.606 ( -4.702 -5.029 0.000) 6.885 4.790 ( -2.867 -2.287 0.000) 3.667 4.859 ( -3.597 -1.264 0.000) 3.813 4.887 ( -2.286 -4.490 0.000) 5.039 5.030 ( -2.838 -5.288 0.000) 6.001 6.001 ( -0.342 -0.593 0.000) 0.685 6.068 ( -1.734 -0.632 0.000) 1.846 6.193 ( 4.719 -3.071 0.000) 5.631 6.314 ( 2.257 3.464 0.000) 4.135 6.374 ( 2.222 -0.446 0.000) 2.267 6.703 ( -5.656 -1.058 0.000) 5.754 6.909 ( 1.363 -1.736 0.000) 2.207 7.114 ( -4.125 -1.298 0.000) 4.324 8.943 ( 4.155 0.021 0.000) 4.155 9.188 ( 0.097 0.290 0.000) 0.306 9.434 ( -0.795 2.694 0.000) 2.809 9.487 ( 2.309 1.437 0.000) 2.720 9.568 ( 1.780 1.610 0.000) 2.400 10.020 ( -2.757 -0.409 0.000) 2.787 10.083 ( 0.247 -0.651 0.000) 0.697 10.254 ( -4.148 0.010 0.000) 4.148 10.525 ( 3.947 0.443 0.000) 3.972 10.660 ( -1.734 1.003 0.000) 2.003 10.843 ( 0.375 -0.541 0.000) 0.658 10.876 ( -0.091 0.505 0.000) 0.513 ======================= Grid point 21 (14/125) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 19.656 14.200 0.000) 24.249 2.344 ( 16.026 19.230 0.000) 25.032 2.756 ( -9.695 5.853 0.000) 11.325 3.042 ( -11.302 15.532 0.000) 19.208 3.315 ( 14.351 5.677 0.000) 15.434 3.526 ( 9.556 -3.131 0.000) 10.056 3.625 ( 8.159 -3.199 0.000) 8.764 3.708 ( 5.750 -3.403 0.000) 6.681 3.969 ( 2.402 3.091 0.000) 3.915 4.170 ( -11.616 -5.655 0.000) 12.919 4.242 ( -2.147 -1.755 0.000) 2.773 4.494 ( -6.330 -3.424 0.000) 7.197 4.700 ( -4.594 -1.107 0.000) 4.725 4.754 ( -5.403 -1.433 0.000) 5.590 4.887 ( 0.986 -2.304 0.000) 2.506 4.968 ( -2.823 -4.063 0.000) 4.947 5.996 ( 0.043 -1.382 0.000) 1.383 6.036 ( -1.512 -1.275 0.000) 1.978 6.286 ( 4.011 -2.584 0.000) 4.771 6.350 ( 0.922 2.270 0.000) 2.450 6.417 ( 2.290 -0.785 0.000) 2.421 6.587 ( -5.372 -1.073 0.000) 5.478 6.938 ( 1.461 -1.925 0.000) 2.416 7.032 ( -3.528 -1.398 0.000) 3.795 9.039 ( 4.738 1.897 0.000) 5.104 9.175 ( -1.449 2.088 0.000) 2.541 9.432 ( 0.825 3.380 0.000) 3.479 9.500 ( -0.942 2.496 0.000) 2.667 9.650 ( 5.671 0.576 0.000) 5.700 9.928 ( -6.114 -0.317 0.000) 6.122 10.092 ( 0.692 0.125 0.000) 0.703 10.170 ( -3.436 0.948 0.000) 3.564 10.596 ( 2.732 0.759 0.000) 2.835 10.642 ( -0.285 1.186 0.000) 1.220 10.850 ( 0.392 0.206 0.000) 0.443 10.870 ( -0.453 0.598 0.000) 0.750 ======================= Grid point 22 (15/125) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -14.035 10.531 0.000) 17.546 2.395 ( 14.035 10.531 0.000) 17.546 2.745 ( -14.072 17.323 0.000) 22.318 2.745 ( 14.072 17.323 0.000) 22.318 3.546 ( -4.075 -3.514 0.000) 5.380 3.546 ( 4.075 -3.514 0.000) 5.380 3.847 ( -2.647 0.547 0.000) 2.703 3.847 ( 2.647 0.547 0.000) 2.703 3.927 ( -4.098 -5.341 0.000) 6.731 3.927 ( 4.098 -5.341 0.000) 6.731 4.338 ( -7.358 0.063 0.000) 7.359 4.338 ( 7.358 0.063 0.000) 7.359 4.664 ( -0.699 -1.043 0.000) 1.256 4.664 ( 0.699 -1.043 0.000) 1.256 4.918 ( -1.179 -2.842 0.000) 3.077 4.918 ( 1.179 -2.842 0.000) 3.077 6.008 ( -1.051 -1.580 0.000) 1.897 6.008 ( 1.051 -1.580 0.000) 1.897 6.345 ( -0.117 -0.235 0.000) 0.263 6.345 ( 0.117 -0.235 0.000) 0.263 6.485 ( -0.898 -1.012 0.000) 1.353 6.485 ( 0.898 -1.012 0.000) 1.353 6.973 ( -2.094 -1.857 0.000) 2.799 6.973 ( 2.094 -1.857 0.000) 2.799 9.125 ( -3.379 2.760 0.000) 4.362 9.125 ( 3.379 2.760 0.000) 4.362 9.465 ( -1.119 3.241 0.000) 3.429 9.465 ( 1.119 3.241 0.000) 3.429 9.785 ( -6.953 0.198 0.000) 6.956 9.785 ( 6.953 0.198 0.000) 6.956 10.117 ( -1.406 0.716 0.000) 1.578 10.117 ( 1.406 0.716 0.000) 1.578 10.633 ( -0.683 1.066 0.000) 1.266 10.633 ( 0.683 1.066 0.000) 1.266 10.860 ( -0.134 0.573 0.000) 0.588 10.860 ( 0.134 0.573 0.000) 0.588 ======================= Grid point 27 (16/125) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 0.000 24.710 0.000) 24.710 1.700 ( 0.000 25.451 0.000) 25.451 2.540 ( 0.000 -11.989 0.000) 11.989 2.731 ( 0.000 -17.727 0.000) 17.727 3.211 ( 0.000 29.049 0.000) 29.049 3.593 ( 0.000 1.221 0.000) 1.221 3.602 ( 0.000 6.357 0.000) 6.357 3.839 ( 0.000 8.564 0.000) 8.564 3.939 ( 0.000 9.018 0.000) 9.018 4.415 ( 0.000 -3.184 0.000) 3.184 4.570 ( 0.000 -4.100 0.000) 4.100 4.600 ( 0.000 -6.083 0.000) 6.083 4.666 ( 0.000 -10.205 0.000) 10.205 4.795 ( 0.000 -3.314 0.000) 3.314 4.918 ( 0.000 -6.489 0.000) 6.489 4.976 ( 0.000 -2.764 0.000) 2.764 6.019 ( 0.000 -0.137 0.000) 0.137 6.053 ( 0.000 1.766 0.000) 1.766 6.179 ( 0.000 0.165 0.000) 0.165 6.243 ( 0.000 -0.069 0.000) 0.069 6.351 ( 0.000 3.249 0.000) 3.249 6.831 ( 0.000 -0.774 0.000) 0.774 6.852 ( 0.000 -1.203 0.000) 1.203 7.119 ( 0.000 -4.408 0.000) 4.408 8.803 ( 0.000 -1.927 0.000) 1.927 9.130 ( 0.000 -1.654 0.000) 1.654 9.425 ( 0.000 1.477 0.000) 1.477 9.541 ( 0.000 2.082 0.000) 2.082 9.595 ( 0.000 2.274 0.000) 2.274 10.020 ( 0.000 -2.505 0.000) 2.505 10.055 ( 0.000 -0.620 0.000) 0.620 10.303 ( 0.000 -2.146 0.000) 2.146 10.418 ( 0.000 0.345 0.000) 0.345 10.746 ( 0.000 -0.392 0.000) 0.392 10.804 ( 0.000 0.132 0.000) 0.132 10.880 ( 0.000 0.241 0.000) 0.241 ======================= Grid point 28 (17/125) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 8.796 23.012 0.000) 24.636 1.903 ( 17.578 21.274 0.000) 27.596 2.586 ( 4.624 -11.291 0.000) 12.201 2.822 ( 7.977 -16.340 0.000) 18.183 3.278 ( 6.434 27.141 0.000) 27.894 3.552 ( -3.266 1.925 0.000) 3.791 3.613 ( 0.059 5.617 0.000) 5.618 3.846 ( -2.109 7.117 0.000) 7.423 3.894 ( -0.994 9.105 0.000) 9.159 4.394 ( -2.725 -1.411 0.000) 3.069 4.486 ( -7.138 -4.847 0.000) 8.628 4.565 ( -3.075 -6.010 0.000) 6.751 4.678 ( 0.898 -9.366 0.000) 9.409 4.797 ( 0.277 -3.471 0.000) 3.482 4.890 ( -2.742 -4.883 0.000) 5.600 4.961 ( -1.214 -3.694 0.000) 3.889 6.015 ( -0.457 0.289 0.000) 0.541 6.080 ( 2.345 0.520 0.000) 2.402 6.119 ( -3.530 -0.466 0.000) 3.560 6.297 ( 3.253 0.148 0.000) 3.256 6.367 ( 1.347 3.075 0.000) 3.357 6.781 ( -4.499 -1.283 0.000) 4.678 6.859 ( 0.883 -0.866 0.000) 1.237 7.112 ( -1.020 -3.672 0.000) 3.811 8.841 ( 3.561 -1.360 0.000) 3.812 9.148 ( 1.625 -1.276 0.000) 2.066 9.444 ( 1.692 1.206 0.000) 2.078 9.528 ( -0.867 2.225 0.000) 2.388 9.598 ( 0.180 2.214 0.000) 2.221 10.029 ( 0.627 -1.852 0.000) 1.955 10.051 ( -0.378 -0.838 0.000) 0.920 10.289 ( -1.389 -1.737 0.000) 2.224 10.454 ( 3.228 0.358 0.000) 3.247 10.717 ( -2.110 0.126 0.000) 2.114 10.820 ( 1.042 0.029 0.000) 1.042 10.883 ( 0.237 0.271 0.000) 0.360 ======================= Grid point 29 (18/125) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 14.210 19.152 0.000) 23.848 2.320 ( 20.201 15.708 0.000) 25.589 2.724 ( 7.963 -8.198 0.000) 11.429 3.022 ( 10.549 -13.171 0.000) 16.874 3.451 ( -5.237 7.579 0.000) 9.213 3.469 ( 10.517 17.116 0.000) 20.089 3.609 ( -1.352 2.596 0.000) 2.927 3.714 ( -6.556 8.737 0.000) 10.924 3.963 ( 4.953 5.038 0.000) 7.065 4.291 ( -9.539 -3.692 0.000) 10.229 4.299 ( -7.512 -2.673 0.000) 7.974 4.498 ( -3.323 -4.518 0.000) 5.608 4.685 ( -0.272 -7.077 0.000) 7.082 4.784 ( -4.419 -4.747 0.000) 6.485 4.834 ( 0.441 -1.692 0.000) 1.748 4.933 ( -1.443 -3.451 0.000) 3.741 5.997 ( -1.165 0.274 0.000) 1.197 6.051 ( -2.604 -1.083 0.000) 2.820 6.150 ( 4.014 -1.103 0.000) 4.163 6.358 ( 2.580 -0.056 0.000) 2.581 6.394 ( 0.995 2.921 0.000) 3.085 6.670 ( -5.815 -1.787 0.000) 6.084 6.882 ( 1.142 -0.808 0.000) 1.399 7.066 ( -3.275 -2.629 0.000) 4.200 8.943 ( 6.014 -0.026 0.000) 6.015 9.187 ( 1.780 -0.270 0.000) 1.800 9.477 ( 0.867 1.417 0.000) 1.661 9.535 ( 2.165 2.447 0.000) 3.267 9.602 ( 0.420 1.553 0.000) 1.608 10.011 ( -2.669 -0.343 0.000) 2.691 10.059 ( 1.046 -1.504 0.000) 1.832 10.244 ( -2.891 -0.745 0.000) 2.986 10.535 ( 4.211 0.513 0.000) 4.242 10.679 ( -1.241 0.716 0.000) 1.433 10.840 ( 0.937 0.277 0.000) 0.977 10.887 ( 0.088 0.389 0.000) 0.399 ======================= Grid point 30 (19/125) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 15.240 14.544 0.000) 21.067 2.661 ( 10.055 9.657 0.000) 13.941 2.862 ( 5.156 4.771 0.000) 7.025 3.216 ( 4.207 -6.075 0.000) 7.390 3.346 ( -1.803 5.174 0.000) 5.479 3.505 ( -2.909 -0.876 0.000) 3.038 3.678 ( 1.131 1.301 0.000) 1.724 3.725 ( 11.409 11.367 0.000) 16.105 4.024 ( -5.447 -0.168 0.000) 5.450 4.037 ( -8.795 -4.431 0.000) 9.848 4.225 ( 1.078 -0.671 0.000) 1.270 4.422 ( -4.163 -2.121 0.000) 4.672 4.658 ( -3.194 -2.530 0.000) 4.074 4.689 ( -2.151 -3.814 0.000) 4.379 4.859 ( 0.905 -2.861 0.000) 3.001 4.900 ( -1.679 -0.676 0.000) 1.810 5.976 ( -0.649 -0.402 0.000) 0.764 6.006 ( -1.805 -1.447 0.000) 2.314 6.245 ( 4.929 -1.329 0.000) 5.105 6.391 ( -0.464 0.588 0.000) 0.749 6.415 ( 1.838 1.539 0.000) 2.397 6.552 ( -5.306 -2.146 0.000) 5.723 6.904 ( 1.082 -1.185 0.000) 1.605 6.992 ( -3.501 -2.090 0.000) 4.077 9.073 ( 6.020 1.242 0.000) 6.147 9.208 ( -0.103 0.975 0.000) 0.981 9.495 ( 1.280 2.287 0.000) 2.621 9.561 ( -0.684 3.012 0.000) 3.089 9.657 ( 5.265 0.048 0.000) 5.265 9.922 ( -5.756 -0.201 0.000) 5.759 10.084 ( 1.422 -0.716 0.000) 1.592 10.179 ( -3.141 -0.022 0.000) 3.141 10.614 ( 3.075 0.795 0.000) 3.176 10.666 ( -0.204 1.005 0.000) 1.026 10.859 ( 0.834 0.574 0.000) 1.012 10.885 ( -0.336 0.579 0.000) 0.669 ======================= Grid point 31 (20/125) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -9.893 9.207 0.000) 13.514 2.611 ( 9.893 9.207 0.000) 13.514 3.060 ( -11.952 11.738 0.000) 16.752 3.060 ( 11.952 11.738 0.000) 16.752 3.459 ( -2.914 -4.427 0.000) 5.300 3.459 ( 2.914 -4.427 0.000) 5.300 3.777 ( -8.540 -5.097 0.000) 9.945 3.777 ( 8.540 -5.097 0.000) 9.945 3.928 ( -7.195 3.155 0.000) 7.856 3.928 ( 7.195 3.155 0.000) 7.856 4.317 ( -4.695 -1.720 0.000) 5.000 4.317 ( 4.695 -1.720 0.000) 5.000 4.645 ( -1.087 -0.678 0.000) 1.281 4.645 ( 1.087 -0.678 0.000) 1.281 4.873 ( -0.624 -1.457 0.000) 1.585 4.873 ( 0.624 -1.457 0.000) 1.585 5.977 ( -0.796 -1.144 0.000) 1.394 5.977 ( 0.796 -1.144 0.000) 1.394 6.343 ( -0.997 0.038 0.000) 0.998 6.343 ( 0.997 0.038 0.000) 0.998 6.464 ( -0.560 -0.920 0.000) 1.077 6.464 ( 0.560 -0.920 0.000) 1.077 6.934 ( -1.990 -1.704 0.000) 2.620 6.934 ( 1.990 -1.704 0.000) 2.620 9.173 ( -3.343 1.668 0.000) 3.736 9.173 ( 3.343 1.668 0.000) 3.736 9.530 ( -1.079 2.618 0.000) 2.831 9.530 ( 1.079 2.618 0.000) 2.831 9.787 ( -6.667 0.036 0.000) 6.668 9.787 ( 6.667 0.036 0.000) 6.668 10.122 ( -2.119 -0.145 0.000) 2.124 10.122 ( 2.119 -0.145 0.000) 2.124 10.657 ( -1.024 1.010 0.000) 1.438 10.657 ( 1.024 1.010 0.000) 1.438 10.874 ( -0.318 0.681 0.000) 0.752 10.874 ( 0.318 0.681 0.000) 0.752 ======================= Grid point 36 (21/125) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 -0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 -0.000 0.000) 0.000 4.443 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 -0.000 0.000) 0.000 4.946 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.389 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 0.000) 0.000 6.837 ( 0.000 -0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 8.782 ( 0.000 0.000 0.000) 0.000 9.112 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.564 ( 0.000 0.000 0.000) 0.000 9.624 ( 0.000 0.000 0.000) 0.000 9.988 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.277 ( 0.000 0.000 0.000) 0.000 10.422 ( 0.000 0.000 0.000) 0.000 10.742 ( 0.000 0.000 0.000) 0.000 10.807 ( 0.000 0.000 0.000) 0.000 10.883 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 38 (22/125) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 5.839 -0.000 0.000) 5.839 2.254 ( 14.216 0.000 0.000) 14.216 2.284 ( 6.207 0.000 0.000) 6.207 2.544 ( 10.283 0.000 0.000) 10.283 3.558 ( -3.121 0.000 0.000) 3.121 3.617 ( 0.897 0.000 0.000) 0.897 3.708 ( 3.169 0.000 0.000) 3.169 3.935 ( -4.206 0.000 0.000) 4.206 3.999 ( -0.850 0.000 0.000) 0.850 4.419 ( -5.305 0.000 0.000) 5.305 4.422 ( -5.454 0.000 0.000) 5.454 4.475 ( 2.054 0.000 0.000) 2.054 4.515 ( -0.796 0.000 0.000) 0.796 4.768 ( -1.182 0.000 0.000) 1.182 4.819 ( -0.177 0.000 0.000) 0.177 4.924 ( -1.862 0.000 0.000) 1.862 6.017 ( -0.129 0.000 0.000) 0.129 6.088 ( 1.567 0.000 0.000) 1.567 6.113 ( -4.184 0.000 0.000) 4.184 6.298 ( 3.228 0.000 0.000) 3.228 6.404 ( 1.292 0.000 0.000) 1.292 6.766 ( -4.918 0.000 0.000) 4.918 6.850 ( 1.082 0.000 0.000) 1.082 7.069 ( -0.450 0.000 0.000) 0.450 8.826 ( 4.126 0.000 0.000) 4.126 9.134 ( 1.991 0.000 0.000) 1.991 9.458 ( 1.461 0.000 0.000) 1.461 9.552 ( -0.704 0.000 0.000) 0.704 9.626 ( 0.050 0.000 0.000) 0.050 10.004 ( 1.388 0.000 0.000) 1.388 10.042 ( -0.706 0.000 0.000) 0.706 10.268 ( -0.946 0.000 0.000) 0.946 10.458 ( 3.269 0.000 0.000) 3.269 10.718 ( -1.752 0.000 0.000) 1.752 10.822 ( 1.085 0.000 0.000) 1.085 10.886 ( 0.258 0.000 0.000) 0.258 ======================= Grid point 40 (23/125) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 9.666 -0.000 0.000) 9.666 2.474 ( 11.392 0.000 0.000) 11.392 2.627 ( 20.219 0.000 0.000) 20.219 2.789 ( 12.291 -0.000 0.000) 12.291 3.481 ( -4.346 0.000 0.000) 4.346 3.612 ( -2.459 0.000 0.000) 2.459 3.749 ( -0.470 0.000 0.000) 0.470 3.877 ( 0.390 0.000 0.000) 0.390 3.987 ( 0.324 0.000 0.000) 0.324 4.216 ( -11.679 0.000 0.000) 11.679 4.302 ( -6.825 0.000 0.000) 6.825 4.485 ( -1.364 -0.000 0.000) 1.364 4.544 ( 3.112 0.000 0.000) 3.112 4.724 ( -3.675 0.000 0.000) 3.675 4.812 ( -0.353 0.000 0.000) 0.353 4.898 ( 0.028 0.000 0.000) 0.028 6.006 ( -0.941 0.000 0.000) 0.941 6.033 ( -3.356 -0.000 0.000) 3.356 6.140 ( 3.504 0.000 0.000) 3.504 6.356 ( 2.303 0.000 0.000) 2.303 6.432 ( 1.193 0.000 0.000) 1.193 6.646 ( -6.282 0.000 0.000) 6.282 6.874 ( 1.063 0.000 0.000) 1.063 7.034 ( -2.849 0.000 0.000) 2.849 8.943 ( 6.781 0.000 0.000) 6.781 9.183 ( 2.401 0.000 0.000) 2.401 9.492 ( 1.369 0.000 0.000) 1.369 9.563 ( 2.494 0.000 0.000) 2.494 9.622 ( -0.555 0.000 0.000) 0.555 10.008 ( -2.794 0.000 0.000) 2.794 10.038 ( 1.698 0.000 0.000) 1.698 10.234 ( -2.326 0.000 0.000) 2.326 10.541 ( 4.350 0.000 0.000) 4.350 10.687 ( -0.984 0.000 0.000) 0.984 10.845 ( 1.099 0.000 0.000) 1.099 10.891 ( 0.177 0.000 0.000) 0.177 ======================= Grid point 42 (24/125) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 10.581 -0.000 0.000) 10.581 2.698 ( 8.049 0.000 0.000) 8.049 3.024 ( 9.973 0.000 0.000) 9.973 3.029 ( 16.932 -0.000 0.000) 16.932 3.398 ( -2.155 0.000 0.000) 2.155 3.497 ( -7.773 0.000 0.000) 7.773 3.715 ( -1.969 0.000 0.000) 1.969 3.916 ( 2.071 -0.000 0.000) 2.071 3.935 ( -12.068 0.000 0.000) 12.068 4.027 ( -1.041 0.000 0.000) 1.041 4.202 ( -0.743 0.000 0.000) 0.743 4.426 ( -4.629 0.000 0.000) 4.629 4.618 ( 3.123 0.000 0.000) 3.123 4.640 ( -2.608 0.000 0.000) 2.608 4.812 ( 0.733 0.000 0.000) 0.733 4.903 ( -0.614 0.000 0.000) 0.614 5.980 ( -1.689 0.000 0.000) 1.689 5.982 ( -1.205 -0.000 0.000) 1.205 6.231 ( 5.139 0.000 0.000) 5.139 6.390 ( 0.713 0.000 0.000) 0.713 6.449 ( 0.392 0.000 0.000) 0.392 6.518 ( -5.742 0.000 0.000) 5.742 6.892 ( 0.748 0.000 0.000) 0.748 6.966 ( -3.230 0.000 0.000) 3.230 9.086 ( 6.511 0.000 0.000) 6.511 9.217 ( 0.504 0.000 0.000) 0.504 9.519 ( 1.578 0.000 0.000) 1.578 9.600 ( -1.577 0.000 0.000) 1.577 9.654 ( 5.762 0.000 0.000) 5.762 9.920 ( -5.635 0.000 0.000) 5.635 10.074 ( 1.855 0.000 0.000) 1.855 10.177 ( -2.995 0.000 0.000) 2.995 10.623 ( 3.228 0.000 0.000) 3.228 10.678 ( -0.116 0.000 0.000) 0.116 10.866 ( 0.913 0.000 0.000) 0.913 10.891 ( -0.218 0.000 0.000) 0.218 ======================= Grid point 44 (25/125) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -5.771 0.000 0.000) 5.771 2.720 ( 5.771 0.000 0.000) 5.771 3.193 ( -4.438 0.000 0.000) 4.438 3.193 ( 4.438 0.000 0.000) 4.438 3.397 ( -0.131 0.000 0.000) 0.131 3.397 ( 0.131 0.000 0.000) 0.131 3.718 ( -5.498 0.000 0.000) 5.498 3.718 ( 5.498 0.000 0.000) 5.498 3.970 ( -3.437 0.000 0.000) 3.437 3.970 ( 3.437 0.000 0.000) 3.437 4.292 ( -7.192 0.000 0.000) 7.192 4.292 ( 7.192 0.000 0.000) 7.192 4.638 ( -0.918 0.000 0.000) 0.918 4.638 ( 0.918 0.000 0.000) 0.918 4.858 ( -3.191 0.000 0.000) 3.191 4.858 ( 3.191 0.000 0.000) 3.191 5.965 ( -0.225 0.000 0.000) 0.225 5.965 ( 0.225 0.000 0.000) 0.225 6.344 ( -5.190 0.000 0.000) 5.190 6.344 ( 5.190 0.000 0.000) 5.190 6.453 ( -0.425 0.000 0.000) 0.425 6.453 ( 0.425 0.000 0.000) 0.425 6.914 ( -1.664 0.000 0.000) 1.664 6.914 ( 1.664 0.000 0.000) 1.664 9.191 ( -3.234 0.000 0.000) 3.234 9.191 ( 3.234 0.000 0.000) 3.234 9.559 ( -2.132 0.000 0.000) 2.132 9.559 ( 2.132 0.000 0.000) 2.132 9.787 ( -6.795 0.000 0.000) 6.795 9.787 ( 6.795 0.000 0.000) 6.795 10.118 ( -2.522 0.000 0.000) 2.522 10.118 ( 2.522 0.000 0.000) 2.522 10.668 ( -1.137 0.000 0.000) 1.137 10.668 ( 1.137 0.000 0.000) 1.137 10.882 ( -0.594 0.000 0.000) 0.594 10.882 ( 0.594 0.000 0.000) 0.594 ======================= Grid point 81 (26/125) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 0.000 0.000 27.569) 27.569 0.580 ( 0.000 0.000 27.818) 27.818 1.139 ( 0.000 0.000 53.259) 53.259 3.180 ( 0.000 0.000 -4.700) 4.700 3.262 ( 0.000 0.000 -7.339) 7.339 3.274 ( 0.000 0.000 6.571) 6.571 3.378 ( 0.000 0.000 4.417) 4.417 3.572 ( 0.000 0.000 0.249) 0.249 3.708 ( 0.000 0.000 3.343) 3.343 4.631 ( 0.000 0.000 -1.730) 1.730 4.674 ( 0.000 0.000 -6.655) 6.655 4.694 ( 0.000 0.000 -4.428) 4.428 4.986 ( 0.000 0.000 -2.031) 2.031 4.997 ( 0.000 0.000 -0.768) 0.768 5.057 ( 0.000 0.000 -0.488) 0.488 5.135 ( 0.000 0.000 -4.289) 4.289 5.982 ( 0.000 0.000 1.391) 1.391 6.007 ( 0.000 0.000 0.848) 0.848 6.208 ( 0.000 0.000 -0.670) 0.670 6.236 ( 0.000 0.000 -1.359) 1.359 6.674 ( 0.000 0.000 1.720) 1.720 6.852 ( 0.000 0.000 1.135) 1.135 6.914 ( 0.000 0.000 -0.147) 0.147 6.920 ( 0.000 0.000 0.586) 0.586 8.956 ( 0.000 0.000 1.913) 1.913 9.198 ( 0.000 0.000 -2.128) 2.128 9.348 ( 0.000 0.000 -1.618) 1.618 9.412 ( 0.000 0.000 -0.584) 0.584 9.500 ( 0.000 0.000 -2.488) 2.488 10.065 ( 0.000 0.000 -0.645) 0.645 10.082 ( 0.000 0.000 -3.007) 3.007 10.341 ( 0.000 0.000 1.089) 1.089 10.420 ( 0.000 0.000 1.784) 1.784 10.788 ( 0.000 0.000 1.789) 1.789 10.827 ( 0.000 0.000 -3.147) 3.147 10.854 ( 0.000 0.000 -0.836) 0.836 ======================= Grid point 82 (27/125) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 20.038 0.000 19.648) 28.063 0.996 ( 22.378 0.000 24.170) 32.939 1.485 ( 34.919 0.000 33.125) 48.131 3.129 ( -4.789 0.000 0.994) 4.891 3.289 ( 2.517 0.000 -2.572) 3.598 3.331 ( 4.591 0.000 -0.089) 4.591 3.341 ( -2.776 0.000 0.299) 2.792 3.578 ( 1.107 0.000 0.276) 1.141 3.742 ( 3.167 0.000 4.116) 5.193 4.572 ( -5.670 0.000 -3.715) 6.778 4.633 ( -3.923 0.000 -5.191) 6.506 4.683 ( -1.316 0.000 -4.415) 4.607 4.950 ( -2.954 0.000 -1.171) 3.178 4.960 ( -5.082 0.000 1.998) 5.461 4.992 ( -0.843 0.000 -1.290) 1.541 5.182 ( -0.465 0.000 -6.710) 6.727 5.991 ( 1.620 0.000 1.233) 2.036 6.070 ( 3.864 0.000 -2.126) 4.410 6.145 ( -3.493 0.000 -0.485) 3.527 6.286 ( 2.331 0.000 -2.114) 3.147 6.547 ( -4.399 0.000 7.711) 8.878 6.794 ( -3.961 0.000 2.061) 4.465 6.957 ( 2.086 0.000 0.119) 2.089 7.011 ( 2.913 0.000 -3.281) 4.388 8.952 ( 0.056 0.000 2.367) 2.367 9.189 ( -0.905 0.000 -1.664) 1.894 9.375 ( 0.693 0.000 -1.717) 1.852 9.418 ( 1.895 0.000 -0.317) 1.921 9.498 ( -0.267 0.000 -2.257) 2.272 10.051 ( -1.279 0.000 -0.701) 1.459 10.074 ( -0.866 0.000 -3.116) 3.234 10.323 ( -2.050 0.000 0.783) 2.195 10.453 ( 2.864 0.000 1.369) 3.175 10.729 ( -3.982 0.000 1.868) 4.399 10.827 ( -0.019 0.000 -2.682) 2.682 10.878 ( 1.094 0.000 -0.457) 1.186 ======================= Grid point 83 (28/125) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 24.325 0.000 12.609) 27.399 1.424 ( 20.704 0.000 22.799) 30.797 2.324 ( 40.228 0.000 13.629) 42.474 2.966 ( -11.083 0.000 4.600) 12.000 3.120 ( -12.468 0.000 4.372) 13.212 3.450 ( 6.883 0.000 -4.729) 8.351 3.504 ( 11.997 0.000 -6.053) 13.437 3.638 ( 4.496 0.000 -1.424) 4.716 3.832 ( 5.290 0.000 6.635) 8.486 4.414 ( -9.225 0.000 -5.114) 10.548 4.513 ( -7.389 0.000 -3.852) 8.332 4.622 ( -5.095 0.000 -4.353) 6.701 4.852 ( -5.397 0.000 2.490) 5.944 4.873 ( -4.370 0.000 0.085) 4.371 4.968 ( -1.150 0.000 -1.699) 2.051 5.128 ( -3.842 0.000 -4.704) 6.074 6.028 ( 1.442 0.000 0.196) 1.455 6.082 ( -2.474 0.000 -0.442) 2.513 6.146 ( 3.475 0.000 -3.440) 4.890 6.317 ( 0.546 0.000 -3.641) 3.681 6.520 ( 0.820 0.000 6.718) 6.768 6.713 ( -3.638 0.000 3.675) 5.171 6.990 ( 1.042 0.000 -0.251) 1.072 7.029 ( -0.282 0.000 -1.291) 1.321 8.967 ( 1.402 0.000 2.443) 2.817 9.160 ( -1.855 0.000 -0.529) 1.929 9.364 ( -0.708 0.000 0.417) 0.821 9.485 ( -1.105 0.000 -1.497) 1.861 9.500 ( 5.135 0.000 -0.944) 5.221 10.012 ( -2.724 0.000 -1.035) 2.914 10.055 ( -0.745 0.000 -2.733) 2.833 10.243 ( -5.463 0.000 0.492) 5.485 10.522 ( 3.494 0.000 0.689) 3.561 10.660 ( -2.229 0.000 2.304) 3.206 10.828 ( 0.171 0.000 -1.492) 1.502 10.887 ( -0.142 0.000 -0.260) 0.296 ======================= Grid point 84 (29/125) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 24.009 0.000 9.048) 25.658 1.859 ( 20.910 0.000 16.215) 26.461 2.679 ( -16.176 0.000 7.352) 17.768 2.714 ( -14.405 0.000 6.182) 15.675 3.155 ( 26.521 0.000 5.654) 27.117 3.608 ( 7.472 0.000 -5.883) 9.510 3.726 ( 3.008 0.000 -3.830) 4.870 3.758 ( 10.881 0.000 -6.040) 12.445 3.957 ( 6.843 0.000 7.672) 10.280 4.214 ( -8.868 0.000 -6.070) 10.747 4.345 ( -8.197 0.000 -0.706) 8.227 4.465 ( -9.814 0.000 -3.490) 10.416 4.748 ( -4.127 0.000 2.632) 4.895 4.775 ( -4.759 0.000 0.945) 4.851 4.957 ( 0.316 0.000 -2.117) 2.140 5.047 ( -3.680 0.000 -3.352) 4.978 6.043 ( 0.137 0.000 -0.309) 0.338 6.047 ( -0.894 0.000 -0.529) 1.039 6.213 ( 3.005 0.000 -4.598) 5.493 6.308 ( -1.256 0.000 -4.993) 5.148 6.555 ( 2.170 0.000 6.239) 6.606 6.648 ( -2.609 0.000 5.214) 5.830 7.003 ( 0.359 0.000 -0.420) 0.553 7.018 ( -0.585 0.000 -0.558) 0.809 9.008 ( 2.405 0.000 2.195) 3.256 9.114 ( -2.492 0.000 0.705) 2.590 9.365 ( 0.965 0.000 1.501) 1.785 9.452 ( -2.082 0.000 -0.214) 2.093 9.619 ( 6.401 0.000 -0.816) 6.453 9.920 ( -6.437 0.000 -1.114) 6.533 10.049 ( 0.314 0.000 -2.252) 2.274 10.131 ( -4.375 0.000 0.086) 4.376 10.586 ( 2.449 0.000 0.524) 2.504 10.634 ( -0.608 0.000 1.858) 1.955 10.836 ( 0.670 0.000 -0.332) 0.748 10.876 ( -0.860 0.000 0.017) 0.860 ======================= Grid point 85 (30/125) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -0.211 0.000 8.909) 8.912 2.219 ( 0.211 0.000 8.909) 8.912 2.372 ( -1.297 0.000 9.224) 9.315 2.372 ( 1.297 0.000 9.224) 9.315 3.589 ( -11.748 0.000 -0.148) 11.749 3.589 ( 11.748 0.000 -0.148) 11.749 3.824 ( -4.169 0.000 -5.650) 7.021 3.824 ( 4.169 0.000 -5.650) 7.021 4.102 ( -4.443 0.000 -0.618) 4.486 4.102 ( 4.443 0.000 -0.618) 4.486 4.265 ( -5.636 0.000 -0.300) 5.644 4.265 ( 5.636 0.000 -0.300) 5.644 4.708 ( -0.559 0.000 1.697) 1.787 4.708 ( 0.559 0.000 1.697) 1.787 4.984 ( -1.842 0.000 -2.595) 3.182 4.984 ( 1.842 0.000 -2.595) 3.182 6.041 ( -0.123 0.000 -0.518) 0.533 6.041 ( 0.123 0.000 -0.518) 0.533 6.270 ( -1.217 0.000 -5.293) 5.432 6.270 ( 1.217 0.000 -5.293) 5.432 6.600 ( -0.981 0.000 5.989) 6.069 6.600 ( 0.981 0.000 5.989) 6.069 7.009 ( -0.225 0.000 -0.457) 0.509 7.009 ( 0.225 0.000 -0.457) 0.509 9.061 ( -2.595 0.000 1.610) 3.054 9.061 ( 2.595 0.000 1.610) 3.054 9.403 ( -2.258 0.000 1.170) 2.543 9.403 ( 2.258 0.000 1.170) 2.543 9.766 ( -7.635 0.000 -0.746) 7.671 9.766 ( 7.635 0.000 -0.746) 7.671 10.070 ( -1.559 0.000 -1.251) 1.999 10.070 ( 1.559 0.000 -1.251) 1.999 10.621 ( -0.929 0.000 1.036) 1.392 10.621 ( 0.929 0.000 1.036) 1.392 10.855 ( -0.707 0.000 0.145) 0.721 10.855 ( 0.707 0.000 0.145) 0.721 ======================= Grid point 90 (31/125) ======================= q-point: ( 0.00 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 19.602 19.600) 27.720 1.016 ( 0.000 22.690 24.655) 33.507 1.483 ( 0.000 35.296 32.722) 48.131 3.159 ( 0.000 -2.343 -3.649) 4.336 3.201 ( 0.000 -4.023 2.767) 4.883 3.310 ( 0.000 2.035 -2.357) 3.114 3.443 ( 0.000 5.321 3.367) 6.297 3.609 ( 0.000 3.566 0.701) 3.635 3.681 ( 0.000 -1.608 2.483) 2.958 4.580 ( 0.000 -5.317 -5.185) 7.427 4.630 ( 0.000 -0.189 -1.362) 1.375 4.695 ( 0.000 -2.488 -7.350) 7.760 4.925 ( 0.000 -2.782 0.697) 2.868 4.974 ( 0.000 -2.356 -0.757) 2.475 5.098 ( 0.000 -0.522 -2.525) 2.579 5.101 ( 0.000 -3.168 -4.038) 5.132 5.988 ( 0.000 0.762 1.464) 1.650 6.013 ( 0.000 0.528 0.693) 0.872 6.191 ( 0.000 -1.176 0.276) 1.207 6.231 ( 0.000 -0.425 -1.575) 1.631 6.388 ( 0.000 -5.894 12.593) 13.904 6.892 ( 0.000 -1.704 -0.167) 1.712 6.916 ( 0.000 -0.697 0.673) 0.969 7.134 ( 0.000 6.109 -9.937) 11.665 8.936 ( 0.000 -1.609 2.757) 3.192 9.190 ( 0.000 -0.933 -1.813) 2.039 9.358 ( 0.000 0.908 -1.363) 1.637 9.433 ( 0.000 1.994 -0.226) 2.007 9.505 ( 0.000 0.521 -2.436) 2.491 10.053 ( 0.000 -0.803 -2.026) 2.179 10.086 ( 0.000 0.058 -1.269) 1.270 10.349 ( 0.000 0.199 0.102) 0.224 10.426 ( 0.000 0.546 2.152) 2.220 10.786 ( 0.000 -0.185 1.777) 1.787 10.833 ( 0.000 0.548 -2.830) 2.882 10.842 ( 0.000 -1.189 -0.666) 1.363 ======================= Grid point 91 (32/125) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 17.148 13.942 21.918) 31.126 1.183 ( 18.840 21.997 13.431) 31.925 1.751 ( 26.424 26.715 26.050) 45.722 3.113 ( -3.708 -1.762 0.720) 4.168 3.276 ( 4.365 -4.156 0.666) 6.063 3.334 ( 3.614 3.788 -4.051) 6.620 3.413 ( -3.064 5.381 2.410) 6.645 3.597 ( -0.349 2.091 0.670) 2.224 3.716 ( 3.221 -1.902 2.557) 4.531 4.513 ( -5.546 -4.953 -4.514) 8.699 4.597 ( -3.652 -1.632 -2.554) 4.746 4.677 ( -1.748 -2.005 -6.489) 7.013 4.901 ( -2.294 -2.189 1.401) 3.467 4.955 ( -1.974 -2.040 -0.750) 2.936 5.014 ( -4.060 0.139 -1.087) 4.205 5.136 ( -0.667 -4.123 -5.142) 6.625 5.994 ( 1.087 0.317 0.947) 1.476 6.066 ( 3.050 -0.312 -1.735) 3.523 6.142 ( -2.488 -0.463 -0.606) 2.603 6.274 ( 2.341 -0.769 -1.249) 2.762 6.412 ( 1.997 -4.759 9.789) 11.067 6.837 ( -4.916 0.426 0.984) 5.031 6.919 ( 1.186 -1.780 -0.161) 2.145 7.121 ( -1.343 4.432 -5.321) 7.054 8.942 ( 0.687 -0.931 2.791) 3.022 9.185 ( -0.430 -0.430 -1.439) 1.562 9.386 ( 1.522 0.869 -1.696) 2.439 9.432 ( 0.768 1.574 0.561) 1.839 9.506 ( 0.103 0.770 -2.195) 2.329 10.045 ( -0.878 -0.424 -1.578) 1.855 10.077 ( -0.755 0.122 -1.767) 1.925 10.327 ( -2.252 0.150 0.250) 2.271 10.458 ( 2.845 0.491 1.667) 3.334 10.732 ( -3.636 0.242 1.921) 4.120 10.832 ( 0.001 0.351 -2.381) 2.407 10.867 ( 1.106 -0.916 -0.296) 1.466 ======================= Grid point 92 (33/125) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 19.290 12.203 16.852) 28.373 1.606 ( 20.083 19.269 12.146) 30.367 2.451 ( 35.879 12.601 13.467) 40.342 2.977 ( -9.807 1.332 3.701) 10.566 3.207 ( -10.889 7.440 4.078) 13.804 3.402 ( 6.055 -3.948 -3.456) 8.012 3.512 ( 8.984 0.109 -4.522) 10.058 3.649 ( 6.025 0.876 -1.306) 6.227 3.801 ( 4.683 -2.088 4.217) 6.639 4.366 ( -8.427 -4.247 -5.198) 10.773 4.480 ( -7.297 -2.371 -2.134) 7.964 4.616 ( -4.547 -1.401 -5.405) 7.201 4.831 ( -4.436 -1.164 2.313) 5.136 4.886 ( -4.480 0.176 0.231) 4.489 4.949 ( -2.006 -1.952 -1.360) 3.112 5.088 ( -3.332 -3.513 -3.917) 6.228 6.015 ( 0.580 -1.063 -0.083) 1.214 6.071 ( -1.587 -0.737 -0.748) 1.903 6.154 ( 2.790 0.196 -3.649) 4.598 6.311 ( 1.059 -0.306 -2.935) 3.136 6.460 ( 2.512 -3.319 7.179) 8.298 6.736 ( -4.452 0.761 2.806) 5.317 6.948 ( 1.423 -2.200 -0.283) 2.635 7.082 ( -2.203 2.388 -1.695) 3.665 8.970 ( 2.109 0.321 2.680) 3.426 9.169 ( -1.166 0.757 -0.504) 1.479 9.386 ( -0.519 1.911 0.333) 2.008 9.478 ( 1.207 0.154 -0.347) 1.266 9.523 ( 3.123 1.594 -1.175) 3.698 10.013 ( -2.528 0.095 -0.922) 2.693 10.062 ( -0.542 0.509 -2.354) 2.469 10.250 ( -5.073 0.478 0.339) 5.107 10.528 ( 3.529 0.528 1.022) 3.712 10.668 ( -2.112 0.741 2.350) 3.245 10.833 ( 0.150 0.397 -1.402) 1.465 10.879 ( 0.080 -0.631 -0.029) 0.636 ======================= Grid point 93 (34/125) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 20.264 8.403 11.968) 24.990 2.024 ( 20.136 15.745 9.916) 27.417 2.711 ( -15.071 3.663 5.986) 16.625 2.826 ( -12.298 9.724 6.386) 16.928 3.218 ( 22.950 5.793 5.344) 24.266 3.554 ( 7.887 -4.537 -5.220) 10.490 3.669 ( 5.293 -3.069 -3.801) 7.203 3.814 ( 7.489 1.898 -4.869) 9.132 3.904 ( 5.345 -3.594 4.940) 8.117 4.191 ( -7.075 -2.201 -4.713) 8.781 4.315 ( -7.723 -2.299 0.274) 8.063 4.481 ( -8.434 0.363 -4.036) 9.357 4.734 ( -4.099 -1.014 2.463) 4.888 4.783 ( -5.143 0.539 1.210) 5.311 4.930 ( 0.149 -2.478 -1.881) 3.115 5.017 ( -3.202 -2.561 -2.576) 4.842 6.018 ( 0.047 -1.731 -0.660) 1.854 6.045 ( -1.008 -0.698 -0.766) 1.445 6.209 ( 2.232 -0.462 -4.982) 5.479 6.318 ( -0.267 0.777 -4.909) 4.977 6.512 ( 2.311 -2.978 6.390) 7.419 6.659 ( -2.888 0.254 4.777) 5.588 6.975 ( 1.196 -1.725 -0.344) 2.127 7.037 ( -2.015 0.596 -0.511) 2.163 9.025 ( 2.962 1.551 2.246) 4.027 9.136 ( -2.070 1.871 0.606) 2.855 9.388 ( 0.929 2.113 1.420) 2.710 9.467 ( -1.491 1.459 0.164) 2.092 9.630 ( 6.268 0.965 -0.424) 6.356 9.924 ( -6.219 0.350 -0.607) 6.258 10.060 ( 0.429 0.884 -2.106) 2.323 10.146 ( -4.083 1.280 0.114) 4.281 10.593 ( 2.506 0.660 0.864) 2.731 10.644 ( -0.588 0.839 1.986) 2.235 10.839 ( 0.402 0.226 -0.465) 0.655 10.874 ( -0.463 -0.083 0.302) 0.559 ======================= Grid point 94 (35/125) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 0.000 5.972 7.706) 9.749 2.326 ( -0.000 7.700 9.116) 11.933 2.485 ( 0.000 11.460 7.798) 13.862 2.503 ( -0.000 11.278 7.687) 13.648 3.557 ( -0.000 -2.108 -1.207) 2.429 3.607 ( 0.000 -0.172 -0.433) 0.466 3.763 ( 0.000 -2.429 -5.130) 5.676 3.840 ( 0.000 -0.590 -4.808) 4.844 4.022 ( 0.000 -4.436 -0.718) 4.494 4.086 ( -0.000 -2.910 1.469) 3.260 4.293 ( 0.000 1.317 -0.141) 1.325 4.294 ( -0.000 2.100 -1.880) 2.818 4.691 ( -0.000 -1.147 1.766) 2.106 4.713 ( 0.000 0.068 1.784) 1.785 4.943 ( -0.000 -2.769 -2.660) 3.840 4.972 ( 0.000 -1.731 -1.491) 2.284 6.026 ( 0.000 -1.454 -0.893) 1.707 6.027 ( -0.000 -1.233 -0.756) 1.446 6.235 ( 0.000 -1.232 -5.452) 5.589 6.311 ( -0.000 1.800 -5.745) 6.020 6.542 ( 0.000 -3.208 5.945) 6.755 6.624 ( -0.000 0.193 5.910) 5.913 6.999 ( -0.000 -0.845 -0.316) 0.903 7.003 ( 0.000 -0.752 -0.319) 0.817 9.083 ( -0.000 2.186 1.502) 2.652 9.088 ( 0.000 2.210 1.547) 2.697 9.415 ( 0.000 1.560 0.911) 1.806 9.434 ( -0.000 2.506 1.600) 2.973 9.770 ( 0.000 0.533 -0.417) 0.676 9.779 ( -0.000 0.988 -0.131) 0.996 10.076 ( -0.000 0.902 -1.699) 1.924 10.094 ( 0.000 1.585 -0.474) 1.655 10.626 ( 0.000 0.704 1.299) 1.477 10.633 ( 0.000 0.894 1.277) 1.559 10.845 ( 0.000 -0.208 -0.206) 0.293 10.866 ( 0.000 0.488 0.584) 0.761 ======================= Grid point 99 (36/125) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 24.499 12.525) 27.515 1.446 ( 0.000 20.827 24.382) 32.067 2.329 ( 0.000 39.138 12.655) 41.133 3.049 ( 0.000 -9.124 0.321) 9.129 3.069 ( 0.000 -7.066 7.066) 9.993 3.402 ( 0.000 6.558 -5.095) 8.305 3.543 ( 0.000 3.334 1.441) 3.632 3.659 ( 0.000 2.731 -4.171) 4.985 3.770 ( 0.000 9.583 4.409) 10.549 4.467 ( 0.000 -5.428 -4.676) 7.164 4.609 ( 0.000 -5.327 -8.408) 9.953 4.619 ( 0.000 -1.114 -0.851) 1.401 4.854 ( 0.000 -4.760 0.814) 4.829 4.895 ( 0.000 -5.051 -0.572) 5.083 5.013 ( 0.000 -5.017 -2.944) 5.817 5.036 ( 0.000 -4.641 -1.682) 4.936 6.017 ( 0.000 1.904 0.747) 2.045 6.022 ( 0.000 0.218 0.428) 0.481 6.181 ( 0.000 0.098 0.503) 0.513 6.219 ( 0.000 -0.628 -2.247) 2.333 6.367 ( 0.000 1.636 7.698) 7.870 6.854 ( 0.000 -1.689 -0.240) 1.706 6.893 ( 0.000 -1.421 0.841) 1.652 7.147 ( 0.000 -2.805 -6.010) 6.632 8.898 ( 0.000 -1.990 4.016) 4.482 9.161 ( 0.000 -1.648 -0.885) 1.871 9.386 ( 0.000 1.756 -0.730) 1.902 9.487 ( 0.000 2.983 0.099) 2.984 9.526 ( 0.000 1.576 -2.512) 2.966 10.034 ( 0.000 -1.196 -2.492) 2.764 10.078 ( 0.000 -0.772 0.216) 0.801 10.339 ( 0.000 -1.270 -0.385) 1.327 10.437 ( 0.000 0.459 2.456) 2.498 10.780 ( 0.000 -0.307 2.014) 2.038 10.818 ( 0.000 -0.727 0.436) 0.847 10.847 ( 0.000 0.686 -2.303) 2.404 ======================= Grid point 100 (37/125) ======================= q-point: ( 0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 13.616 19.619 15.327) 28.376 1.607 ( 17.306 19.658 15.018) 30.191 2.453 ( 12.087 33.874 12.588) 38.105 3.050 ( 0.668 -3.549 2.925) 4.647 3.136 ( 5.263 -8.909 2.830) 10.728 3.440 ( 2.954 5.790 -4.654) 7.995 3.511 ( -2.497 2.975 1.867) 4.309 3.679 ( -0.571 4.602 -2.363) 5.205 3.732 ( -0.713 6.238 2.616) 6.802 4.409 ( -5.318 -4.581 -4.758) 8.479 4.551 ( -4.640 -3.340 -2.805) 6.368 4.608 ( -1.620 -4.053 -5.407) 6.949 4.842 ( -1.256 -4.183 0.926) 4.464 4.887 ( -0.777 -4.157 -0.287) 4.238 4.971 ( -3.417 -3.961 -1.023) 5.330 5.033 ( -0.792 -5.273 -3.050) 6.143 6.003 ( -0.373 0.454 0.211) 0.625 6.063 ( 2.108 0.224 -0.926) 2.314 6.128 ( -2.429 -0.796 -0.477) 2.600 6.270 ( 2.612 0.105 -1.750) 3.146 6.385 ( 1.637 1.058 6.935) 7.203 6.821 ( -3.769 -1.440 0.839) 4.121 6.885 ( 0.519 -1.516 -0.058) 1.604 7.139 ( -1.132 -1.948 -4.231) 4.793 8.918 ( 1.999 -1.226 3.867) 4.522 9.170 ( 0.741 -0.999 -0.708) 1.431 9.409 ( 1.814 1.418 -0.919) 2.479 9.482 ( -0.102 2.989 0.968) 3.143 9.532 ( 0.564 1.711 -2.184) 2.831 10.034 ( -0.127 -0.737 -2.032) 2.165 10.073 ( -0.460 -0.605 -0.211) 0.789 10.319 ( -1.969 -1.011 -0.192) 2.221 10.469 ( 2.886 0.529 2.124) 3.622 10.738 ( -2.785 0.368 2.161) 3.545 10.832 ( 0.496 -0.329 -0.290) 0.662 10.857 ( 0.875 0.274 -1.117) 1.445 ======================= Grid point 101 (38/125) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 15.942 16.098 15.298) 27.338 2.027 ( 19.693 18.627 6.060) 27.775 2.797 ( 17.058 13.906 10.072) 24.203 3.056 ( 0.617 10.403 3.651) 11.042 3.263 ( 6.511 -7.844 -0.849) 10.229 3.394 ( -6.845 7.305 2.267) 10.265 3.533 ( 2.607 2.212 -2.970) 4.529 3.642 ( 2.650 -0.492 2.832) 3.910 3.809 ( 5.581 3.491 -2.863) 7.178 4.270 ( -7.506 -4.265 -5.174) 10.064 4.418 ( -7.833 -3.647 -0.688) 8.668 4.556 ( -3.666 -4.094 -4.625) 7.183 4.792 ( -3.742 -3.061 0.234) 4.840 4.866 ( -1.767 -2.822 0.225) 3.337 4.892 ( -3.045 -2.521 0.523) 3.988 5.001 ( -2.143 -4.473 -2.364) 5.495 5.992 ( -0.771 -0.966 -0.719) 1.430 6.055 ( -1.798 -0.852 -1.180) 2.313 6.143 ( 2.684 -1.015 -2.970) 4.130 6.312 ( 1.443 0.243 -3.341) 3.647 6.425 ( 2.042 0.008 6.238) 6.564 6.729 ( -4.522 -1.269 2.227) 5.198 6.908 ( 1.395 -1.644 -0.162) 2.162 7.095 ( -2.900 -1.107 -1.738) 3.558 8.979 ( 3.789 0.490 3.393) 5.110 9.185 ( 0.465 0.571 -0.176) 0.757 9.432 ( 0.325 2.218 -0.193) 2.250 9.503 ( 1.495 2.302 1.095) 2.956 9.558 ( 2.723 1.727 -0.797) 3.321 10.015 ( -2.199 0.050 -0.356) 2.229 10.066 ( 0.059 -0.238 -1.548) 1.567 10.256 ( -3.968 -0.008 0.179) 3.972 10.542 ( 3.750 0.760 1.653) 4.168 10.688 ( -1.753 1.087 2.487) 3.232 10.840 ( 0.354 0.280 -0.481) 0.660 10.873 ( 0.478 0.197 -0.096) 0.526 ======================= Grid point 102 (39/125) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 17.198 12.867 10.920) 24.095 2.398 ( 16.105 17.780 5.089) 24.523 2.817 ( -9.674 5.842 5.328) 12.494 3.086 ( -11.367 13.934 4.335) 18.498 3.342 ( 10.674 1.851 1.933) 11.004 3.469 ( 11.061 -0.346 -2.447) 11.333 3.618 ( 5.296 -1.509 -2.490) 6.043 3.756 ( 6.520 -4.510 2.204) 8.229 3.907 ( 1.955 2.088 -4.221) 5.099 4.136 ( -4.481 -2.473 -2.699) 5.786 4.259 ( -5.552 -2.977 1.103) 6.396 4.452 ( -6.265 -3.038 -3.862) 7.962 4.702 ( -3.947 -2.228 0.705) 4.587 4.785 ( -4.972 -1.289 2.046) 5.529 4.880 ( 0.531 -1.057 -0.509) 1.288 4.954 ( -2.094 -3.344 -1.014) 4.074 5.980 ( -0.165 -1.790 -1.361) 2.254 6.020 ( -1.623 -1.618 -1.382) 2.676 6.195 ( 2.054 -0.753 -4.974) 5.434 6.330 ( 0.344 0.031 -5.896) 5.906 6.465 ( 1.678 -1.016 6.447) 6.739 6.647 ( -3.087 -1.324 4.212) 5.387 6.938 ( 1.529 -1.750 -0.090) 2.326 7.030 ( -3.083 -1.257 -0.350) 3.347 9.065 ( 4.210 2.145 2.552) 5.371 9.181 ( -0.989 2.191 0.625) 2.484 9.443 ( 0.996 2.924 0.886) 3.214 9.511 ( -0.522 2.719 0.710) 2.858 9.654 ( 5.977 1.217 0.645) 6.134 9.932 ( -5.744 0.377 0.569) 5.785 10.077 ( 0.938 0.522 -1.531) 1.870 10.173 ( -3.563 1.051 0.250) 3.723 10.612 ( 2.751 1.108 1.518) 3.332 10.667 ( -0.545 1.316 2.253) 2.666 10.848 ( 0.330 0.679 -0.218) 0.786 10.877 ( 0.029 0.452 0.553) 0.714 ======================= Grid point 103 (40/125) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 0.000 9.762 6.266) 11.600 2.516 ( -0.000 10.212 8.736) 13.439 2.792 ( -0.000 15.078 4.188) 15.649 2.793 ( 0.000 16.340 4.890) 17.056 3.489 ( 0.000 -4.425 -2.369) 5.019 3.565 ( 0.000 -3.179 -1.452) 3.495 3.740 ( 0.000 -1.105 -4.329) 4.468 3.801 ( -0.000 -3.422 -5.883) 6.806 3.965 ( 0.000 -0.177 2.628) 2.634 4.021 ( -0.000 -2.286 4.089) 4.685 4.292 ( 0.000 -1.556 -1.851) 2.418 4.317 ( -0.000 -0.231 -2.875) 2.885 4.666 ( 0.000 -1.085 1.745) 2.054 4.708 ( 0.000 -0.708 2.158) 2.271 4.893 ( 0.000 -1.599 -1.338) 2.085 4.926 ( 0.000 -2.293 0.111) 2.296 5.987 ( 0.000 -2.084 -1.797) 2.752 5.993 ( -0.000 -1.875 -1.248) 2.252 6.218 ( 0.000 -0.417 -5.681) 5.697 6.332 ( -0.000 -0.175 -7.290) 7.293 6.486 ( 0.000 -1.614 6.507) 6.704 6.612 ( 0.000 -1.256 5.465) 5.607 6.973 ( -0.000 -1.612 0.043) 1.613 6.977 ( 0.000 -1.698 -0.052) 1.698 9.140 ( -0.000 2.979 1.560) 3.362 9.142 ( 0.000 2.729 1.529) 3.128 9.462 ( 0.000 2.858 0.639) 2.928 9.497 ( 0.000 3.221 1.607) 3.600 9.784 ( 0.000 0.826 0.762) 1.123 9.801 ( -0.000 1.008 1.075) 1.474 10.099 ( 0.000 1.101 -1.371) 1.758 10.124 ( 0.000 1.000 0.216) 1.023 10.649 ( 0.000 1.387 1.785) 2.260 10.655 ( 0.000 1.255 1.775) 2.173 10.851 ( 0.000 0.811 -0.147) 0.825 10.877 ( 0.000 0.585 0.885) 1.061 ======================= Grid point 108 (41/125) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 0.000 23.835 8.770) 25.397 1.887 ( 0.000 21.215 18.427) 28.101 2.651 ( 0.000 -10.470 10.109) 14.554 2.779 ( 0.000 -16.141 4.429) 16.737 3.258 ( 0.000 25.426 4.141) 25.761 3.557 ( 0.000 7.762 -3.981) 8.723 3.577 ( 0.000 0.524 -1.521) 1.609 3.788 ( 0.000 8.749 -4.295) 9.747 3.964 ( 0.000 6.858 2.026) 7.151 4.370 ( 0.000 -3.224 -4.436) 5.484 4.493 ( 0.000 -5.302 -7.504) 9.188 4.572 ( 0.000 -3.044 -0.529) 3.089 4.704 ( 0.000 -9.710 1.667) 9.852 4.802 ( 0.000 -2.756 0.779) 2.863 4.898 ( 0.000 -5.920 -1.500) 6.107 4.943 ( 0.000 -3.425 -2.785) 4.414 6.022 ( 0.000 -0.178 0.281) 0.332 6.056 ( 0.000 1.614 0.257) 1.634 6.186 ( 0.000 0.218 0.413) 0.467 6.207 ( 0.000 -0.527 -3.148) 3.192 6.414 ( 0.000 2.357 5.420) 5.910 6.830 ( 0.000 -0.464 -0.160) 0.491 6.861 ( 0.000 -1.488 0.776) 1.678 7.069 ( 0.000 -3.801 -4.237) 5.692 8.861 ( 0.000 -1.377 5.348) 5.523 9.129 ( 0.000 -1.312 -0.052) 1.313 9.424 ( 0.000 1.708 -0.120) 1.712 9.544 ( 0.000 2.165 0.327) 2.189 9.566 ( 0.000 2.003 -2.931) 3.550 10.002 ( 0.000 -1.728 -1.704) 2.427 10.061 ( 0.000 -0.742 0.762) 1.064 10.301 ( 0.000 -1.965 -0.223) 1.977 10.446 ( 0.000 0.373 2.577) 2.604 10.774 ( 0.000 -0.255 2.384) 2.398 10.816 ( 0.000 0.317 1.102) 1.147 10.859 ( 0.000 0.448 -1.874) 1.927 ======================= Grid point 109 (42/125) ======================= q-point: ( 0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 9.045 20.370 11.151) 24.922 2.022 ( 13.758 19.987 12.514) 27.301 2.687 ( 3.879 -10.315 8.977) 14.214 2.870 ( 7.643 -14.560 4.512) 17.052 3.315 ( 5.152 23.258 3.163) 24.031 3.533 ( -1.098 1.906 -2.790) 3.553 3.590 ( -0.207 6.872 -0.852) 6.928 3.799 ( 0.936 7.298 -4.499) 8.624 3.902 ( -4.673 6.644 1.151) 8.204 4.339 ( -4.330 -1.726 -4.728) 6.639 4.461 ( -2.805 -4.431 -4.349) 6.813 4.521 ( -3.673 -4.128 -1.968) 5.866 4.710 ( 0.333 -8.576 1.846) 8.779 4.804 ( -0.066 -3.265 0.879) 3.382 4.871 ( -2.421 -4.989 -1.542) 5.756 4.935 ( -0.645 -3.649 -2.202) 4.311 6.009 ( -0.986 0.153 -0.326) 1.050 6.076 ( 1.309 0.810 -0.460) 1.606 6.111 ( -3.613 -0.773 -0.924) 3.809 6.270 ( 2.825 -0.081 -2.438) 3.732 6.426 ( 0.998 2.203 5.035) 5.585 6.792 ( -4.152 -1.177 0.888) 4.406 6.858 ( 0.833 -0.985 -0.175) 1.302 7.076 ( 0.012 -3.205 -3.091) 4.453 8.895 ( 3.261 -0.847 5.078) 6.094 9.148 ( 1.739 -0.952 0.060) 1.983 9.441 ( 1.460 1.468 -0.236) 2.084 9.541 ( 0.014 2.283 1.108) 2.537 9.572 ( 0.548 1.942 -2.535) 3.240 10.012 ( 0.854 -1.277 -1.594) 2.214 10.057 ( -0.454 -0.744 0.739) 1.143 10.289 ( -1.214 -1.575 -0.047) 1.990 10.480 ( 3.042 0.437 2.379) 3.886 10.745 ( -1.996 0.258 2.483) 3.196 10.831 ( 0.949 0.283 0.999) 1.406 10.866 ( 0.620 0.369 -1.431) 1.603 ======================= Grid point 110 (43/125) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 12.633 16.950 11.243) 23.944 2.378 ( 18.103 15.413 5.579) 24.422 2.810 ( 7.330 -7.482 7.728) 13.017 3.053 ( 9.212 -11.688 2.937) 15.169 3.401 ( -0.348 9.201 -1.170) 9.282 3.543 ( 3.542 8.177 1.655) 9.063 3.584 ( 0.295 6.930 -1.264) 7.050 3.723 ( -5.841 7.174 0.392) 9.260 3.912 ( 4.229 4.895 -3.414) 7.314 4.199 ( -7.634 -2.705 -5.324) 9.693 4.347 ( -7.520 -2.250 1.011) 7.914 4.463 ( -2.839 -3.974 -3.651) 6.097 4.702 ( -1.489 -5.278 0.730) 5.532 4.777 ( -3.066 -5.238 0.632) 6.102 4.839 ( 0.607 -2.811 0.275) 2.889 4.923 ( -0.589 -2.564 -0.857) 2.767 5.982 ( -1.605 0.083 -1.256) 2.040 6.033 ( -2.858 -1.253 -1.552) 3.485 6.125 ( 2.512 -0.539 -2.122) 3.332 6.311 ( 1.137 -0.253 -4.158) 4.318 6.450 ( 1.253 1.861 4.708) 5.215 6.694 ( -4.737 -1.787 2.065) 5.468 6.883 ( 1.278 -0.732 -0.035) 1.474 7.052 ( -2.314 -2.430 -1.356) 3.619 8.989 ( 5.461 0.376 4.284) 6.951 9.190 ( 2.003 -0.004 0.383) 2.039 9.472 ( 1.279 1.559 -0.210) 2.027 9.560 ( 1.524 2.654 1.381) 3.357 9.591 ( 1.867 1.237 -0.575) 2.312 10.015 ( -1.725 0.080 0.378) 1.768 10.051 ( 0.666 -1.179 -0.644) 1.500 10.248 ( -2.698 -0.605 0.337) 2.785 10.558 ( 4.082 0.657 2.076) 4.627 10.709 ( -1.287 0.795 2.670) 3.068 10.850 ( 0.854 0.660 0.731) 1.304 10.880 ( 0.595 0.322 -0.499) 0.840 ======================= Grid point 111 (44/125) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 13.692 13.342 8.625) 20.973 2.702 ( 11.295 10.169 3.827) 15.673 2.926 ( 2.786 4.474 5.784) 7.825 3.215 ( 4.446 -5.895 0.061) 7.384 3.346 ( -2.952 4.482 0.458) 5.386 3.502 ( -2.472 -0.175 -0.005) 2.478 3.623 ( 2.063 1.805 -3.347) 4.326 3.758 ( 4.025 4.712 -1.595) 6.399 3.940 ( -1.542 1.349 -1.354) 2.456 4.113 ( -0.991 0.126 0.228) 1.024 4.203 ( -3.726 -2.184 0.180) 4.323 4.379 ( -5.149 -2.881 -4.204) 7.245 4.651 ( -1.984 -1.988 -0.054) 2.810 4.729 ( -1.764 -3.143 3.253) 4.855 4.862 ( 1.001 -3.189 0.442) 3.372 4.905 ( -1.071 0.263 0.619) 1.265 5.953 ( -0.883 -0.628 -1.957) 2.237 5.984 ( -1.969 -1.653 -1.873) 3.181 6.182 ( 2.775 -0.443 -4.600) 5.390 6.316 ( -0.667 -1.044 -6.376) 6.496 6.474 ( 1.014 1.532 5.145) 5.463 6.610 ( -3.060 -2.059 4.024) 5.459 6.908 ( 1.200 -1.043 0.170) 1.599 6.993 ( -3.031 -1.976 -0.108) 3.620 9.105 ( 5.324 1.508 3.078) 6.332 9.217 ( 0.266 1.160 0.941) 1.517 9.499 ( 1.464 2.191 0.438) 2.672 9.567 ( -0.564 2.285 0.077) 2.355 9.677 ( 5.733 0.848 2.080) 6.158 9.939 ( -5.308 0.265 1.672) 5.572 10.078 ( 1.734 -0.327 -0.673) 1.888 10.185 ( -3.153 0.145 0.524) 3.199 10.635 ( 3.080 0.957 1.972) 3.780 10.693 ( -0.419 1.080 2.463) 2.722 10.866 ( 0.668 0.990 0.569) 1.323 10.888 ( 0.160 0.435 0.397) 0.611 ======================= Grid point 112 (45/125) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 0.000 9.574 5.368) 10.976 2.719 ( -0.000 8.146 7.995) 11.414 3.070 ( 0.000 10.621 1.485) 10.725 3.094 ( -0.000 11.355 2.784) 11.692 3.390 ( 0.000 -4.254 -3.019) 5.217 3.493 ( 0.000 -4.205 0.126) 4.207 3.680 ( 0.000 -3.645 -5.137) 6.298 3.714 ( -0.000 -4.181 -4.908) 6.448 4.008 ( -0.000 3.471 4.333) 5.552 4.021 ( 0.000 1.851 4.773) 5.120 4.240 ( -0.000 -2.867 -4.795) 5.587 4.280 ( 0.000 -3.118 -4.020) 5.087 4.657 ( 0.000 0.328 2.324) 2.347 4.686 ( 0.000 -1.100 2.254) 2.508 4.878 ( 0.000 -0.251 0.917) 0.950 4.886 ( -0.000 -1.416 1.192) 1.851 5.950 ( 0.000 -1.264 -2.353) 2.671 5.956 ( -0.000 -1.489 -1.851) 2.376 6.220 ( 0.000 0.673 -6.140) 6.177 6.300 ( -0.000 -2.481 -7.151) 7.569 6.487 ( 0.000 1.433 5.586) 5.767 6.577 ( 0.000 -2.084 5.038) 5.453 6.938 ( -0.000 -1.522 0.332) 1.558 6.940 ( 0.000 -1.615 0.232) 1.632 9.191 ( 0.000 1.831 1.792) 2.562 9.193 ( -0.000 1.856 1.873) 2.636 9.523 ( 0.000 2.709 0.252) 2.721 9.553 ( 0.000 1.761 0.845) 1.953 9.802 ( 0.000 0.860 2.153) 2.319 9.816 ( -0.000 0.398 2.223) 2.259 10.116 ( 0.000 0.510 -0.409) 0.654 10.131 ( -0.000 -0.181 0.587) 0.614 10.678 ( 0.000 1.217 2.132) 2.455 10.681 ( -0.000 1.044 2.112) 2.356 10.874 ( 0.000 1.150 0.337) 1.198 10.889 ( 0.000 0.467 0.960) 1.067 ======================= Grid point 117 (46/125) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.000 0.000 6.234) 6.234 2.271 ( 0.000 0.000 15.344) 15.344 2.358 ( 0.000 0.000 11.875) 11.875 2.498 ( 0.000 0.000 7.059) 7.059 3.553 ( 0.000 0.000 -4.961) 4.961 3.581 ( 0.000 0.000 -1.987) 1.987 3.688 ( 0.000 0.000 2.578) 2.578 3.945 ( 0.000 0.000 -5.469) 5.469 3.989 ( 0.000 -0.000 0.112) 0.112 4.372 ( 0.000 -0.000 -6.754) 6.754 4.399 ( 0.000 0.000 -3.848) 3.848 4.540 ( 0.000 0.000 1.721) 1.721 4.551 ( 0.000 0.000 1.784) 1.784 4.793 ( 0.000 0.000 1.014) 1.014 4.803 ( 0.000 -0.000 -0.859) 0.859 4.908 ( 0.000 0.000 -3.241) 3.241 6.019 ( 0.000 0.000 0.243) 0.243 6.075 ( 0.000 0.000 0.153) 0.153 6.188 ( 0.000 0.000 0.434) 0.434 6.201 ( 0.000 0.000 -3.589) 3.589 6.443 ( 0.000 0.000 4.658) 4.658 6.832 ( 0.000 0.000 -0.522) 0.522 6.839 ( 0.000 -0.000 1.125) 1.125 7.023 ( 0.000 0.000 -3.789) 3.789 8.846 ( 0.000 0.000 5.931) 5.931 9.114 ( 0.000 0.000 0.267) 0.267 9.444 ( 0.000 0.000 0.111) 0.111 9.568 ( 0.000 0.000 0.408) 0.408 9.591 ( 0.000 0.000 -3.282) 3.282 9.979 ( 0.000 0.000 -0.982) 0.982 10.052 ( 0.000 0.000 0.777) 0.777 10.277 ( 0.000 0.000 -0.015) 0.015 10.450 ( 0.000 0.000 2.631) 2.631 10.771 ( 0.000 0.000 2.554) 2.554 10.821 ( 0.000 0.000 1.240) 1.240 10.864 ( 0.000 0.000 -1.703) 1.703 ======================= Grid point 119 (47/125) ======================= q-point: ( 0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 6.643 0.000 6.709) 9.441 2.389 ( 11.467 0.000 12.967) 17.310 2.397 ( 4.705 -0.000 9.934) 10.992 2.617 ( 9.732 0.000 6.976) 11.974 3.532 ( -3.316 0.000 -2.120) 3.935 3.570 ( 1.415 0.000 -4.542) 4.757 3.746 ( 3.504 0.000 3.142) 4.706 3.926 ( -4.252 0.000 -0.698) 4.309 3.931 ( -1.327 -0.000 -5.782) 5.932 4.334 ( -6.591 0.000 -5.271) 8.440 4.418 ( 2.919 -0.000 -5.496) 6.223 4.464 ( -5.003 0.000 1.820) 5.324 4.570 ( 0.794 0.000 3.696) 3.780 4.768 ( -2.280 0.000 0.063) 2.281 4.807 ( 0.201 0.000 -0.406) 0.453 4.896 ( -0.805 0.000 -2.285) 2.422 6.011 ( -0.738 0.000 -0.402) 0.840 6.086 ( 1.114 0.000 -0.231) 1.138 6.101 ( -4.586 0.000 -1.364) 4.785 6.269 ( 2.803 0.000 -2.556) 3.793 6.453 ( 0.902 0.000 4.253) 4.347 6.778 ( -4.809 0.000 0.977) 4.907 6.847 ( 1.293 0.000 -0.315) 1.330 7.038 ( 0.460 0.000 -2.692) 2.731 8.886 ( 3.786 0.000 5.617) 6.773 9.137 ( 2.088 0.000 0.363) 2.119 9.458 ( 1.273 0.000 0.005) 1.273 9.566 ( 0.143 0.000 1.222) 1.230 9.596 ( 0.414 0.000 -2.915) 2.944 9.995 ( 1.392 0.000 -1.005) 1.717 10.048 ( -0.548 0.000 0.888) 1.044 10.270 ( -0.786 0.000 0.145) 0.799 10.485 ( 3.117 0.000 2.468) 3.976 10.748 ( -1.668 0.000 2.637) 3.120 10.836 ( 1.095 0.000 1.291) 1.693 10.870 ( 0.532 0.000 -1.432) 1.527 ======================= Grid point 121 (48/125) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 9.430 -0.000 7.536) 12.071 2.556 ( 10.020 0.000 7.267) 12.378 2.709 ( 17.823 0.000 7.793) 19.452 2.843 ( 11.149 -0.000 5.189) 12.298 3.460 ( -3.848 0.000 -1.722) 4.216 3.585 ( -1.073 0.000 -2.682) 2.889 3.730 ( -4.358 0.000 -2.068) 4.824 3.896 ( -1.891 0.000 -7.114) 7.361 3.932 ( 4.443 -0.000 4.896) 6.612 4.159 ( -8.769 0.000 -5.289) 10.240 4.334 ( -7.418 0.000 1.971) 7.676 4.437 ( -1.585 0.000 -4.677) 4.938 4.610 ( 3.034 0.000 5.156) 5.983 4.704 ( -3.773 0.000 -1.409) 4.027 4.808 ( -0.062 0.000 0.211) 0.220 4.896 ( 1.007 0.000 -0.225) 1.031 5.989 ( -1.338 0.000 -1.324) 1.883 6.013 ( -3.710 -0.000 -1.827) 4.136 6.121 ( 2.200 0.000 -1.857) 2.879 6.308 ( 0.911 0.000 -4.294) 4.390 6.476 ( 1.190 0.000 3.810) 3.991 6.671 ( -5.109 0.000 2.118) 5.531 6.876 ( 1.263 0.000 0.035) 1.263 7.022 ( -1.986 0.000 -1.168) 2.304 8.993 ( 6.159 0.000 4.707) 7.752 9.189 ( 2.587 0.000 0.635) 2.664 9.490 ( 1.554 0.000 -0.061) 1.555 9.594 ( 2.932 0.000 2.595) 3.916 9.602 ( 0.027 0.000 -1.955) 1.955 10.020 ( -2.386 0.000 1.336) 2.734 10.030 ( 1.894 0.000 -0.815) 2.062 10.240 ( -2.138 0.000 0.499) 2.196 10.565 ( 4.241 0.000 2.212) 4.784 10.718 ( -1.047 0.000 2.765) 2.957 10.859 ( 1.076 0.000 1.263) 1.660 10.883 ( 0.608 0.000 -0.740) 0.958 ======================= Grid point 123 (49/125) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 10.104 -0.000 7.035) 12.312 2.762 ( 7.884 0.000 5.764) 9.767 3.055 ( 8.853 0.000 2.988) 9.344 3.065 ( 14.873 -0.000 3.380) 15.252 3.380 ( -2.489 -0.000 -1.283) 2.801 3.494 ( -7.138 0.000 -0.329) 7.145 3.658 ( -2.306 0.000 -4.127) 4.728 3.805 ( -8.063 0.000 -7.484) 11.001 4.011 ( 2.387 -0.000 6.827) 7.232 4.074 ( 1.865 0.000 -3.626) 4.078 4.183 ( -6.069 0.000 1.502) 6.252 4.360 ( -5.671 0.000 -5.908) 8.189 4.643 ( -0.865 0.000 0.434) 0.968 4.676 ( 2.209 0.000 4.917) 5.390 4.814 ( 1.310 0.000 0.710) 1.490 4.913 ( -0.211 0.000 0.927) 0.951 5.954 ( -1.859 0.000 -2.243) 2.914 5.959 ( -1.459 -0.000 -1.974) 2.455 6.178 ( 3.265 0.000 -4.365) 5.451 6.302 ( -1.507 0.000 -6.529) 6.701 6.500 ( 1.225 0.000 4.170) 4.346 6.580 ( -3.433 0.000 4.233) 5.450 6.897 ( 0.877 0.000 0.300) 0.927 6.968 ( -2.767 0.000 -0.008) 2.767 9.122 ( 5.751 0.000 3.362) 6.662 9.229 ( 0.842 0.000 1.123) 1.404 9.523 ( 1.801 0.000 0.397) 1.844 9.593 ( -0.993 0.000 -0.758) 1.249 9.686 ( 5.687 0.000 2.911) 6.389 9.942 ( -5.170 0.000 2.110) 5.584 10.072 ( 2.205 0.000 -0.249) 2.219 10.185 ( -2.989 0.000 0.696) 3.069 10.646 ( 3.227 0.000 2.115) 3.859 10.705 ( -0.324 0.000 2.548) 2.568 10.879 ( 0.804 0.000 1.148) 1.401 10.892 ( 0.212 0.000 0.095) 0.232 ======================= Grid point 125 (50/125) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( -4.086 -1.581 6.307) 7.679 2.789 ( 4.086 1.581 6.307) 7.679 3.205 ( -3.037 -1.150 1.249) 3.479 3.205 ( 3.037 1.150 1.249) 3.479 3.383 ( -0.196 -4.719 -1.025) 4.833 3.383 ( 0.196 4.719 -1.025) 4.833 3.652 ( -3.095 -0.694 -4.380) 5.408 3.652 ( 3.095 0.694 -4.380) 5.408 4.056 ( -2.963 -0.026 5.284) 6.058 4.056 ( 2.963 0.026 5.284) 6.058 4.216 ( -6.580 -0.720 -6.470) 9.256 4.216 ( 6.580 0.720 -6.470) 9.256 4.669 ( -1.826 -0.305 2.755) 3.319 4.669 ( 1.826 0.305 2.755) 3.319 4.873 ( -3.344 -0.002 1.600) 3.707 4.873 ( 3.344 0.002 1.600) 3.707 5.938 ( -0.195 -0.120 -2.308) 2.319 5.938 ( 0.195 0.120 -2.308) 2.319 6.249 ( -2.089 -1.637 -6.600) 7.114 6.249 ( 2.089 1.637 -6.600) 7.114 6.529 ( -0.568 -2.234 4.917) 5.431 6.529 ( 0.568 2.234 4.917) 5.431 6.921 ( -1.624 -0.003 0.397) 1.671 6.921 ( 1.624 0.003 0.397) 1.671 9.212 ( -2.621 -0.004 2.014) 3.305 9.212 ( 2.621 0.004 2.014) 3.305 9.563 ( -1.359 -0.552 0.203) 1.481 9.563 ( 1.359 0.552 0.203) 1.481 9.816 ( -6.507 -0.048 2.722) 7.054 9.816 ( 6.507 0.048 2.722) 7.054 10.124 ( -2.682 -0.108 0.413) 2.716 10.124 ( 2.682 0.108 0.413) 2.716 10.692 ( -1.259 -0.007 2.234) 2.565 10.692 ( 1.259 0.007 2.234) 2.565 10.891 ( -0.122 -0.328 0.784) 0.859 10.891 ( 0.122 0.328 0.784) 0.859 ======================= Grid point 162 (51/125) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 0.000 26.742) 26.742 1.150 ( 0.000 0.000 27.145) 27.145 2.163 ( 0.000 0.000 43.675) 43.675 3.003 ( 0.000 0.000 -12.701) 12.701 3.057 ( 0.000 0.000 -10.957) 10.957 3.446 ( 0.000 0.000 9.161) 9.161 3.508 ( 0.000 0.000 7.925) 7.925 3.577 ( 0.000 0.000 1.282) 1.282 3.838 ( 0.000 0.000 8.216) 8.216 4.493 ( 0.000 0.000 -10.386) 10.386 4.548 ( 0.000 0.000 -7.165) 7.165 4.565 ( 0.000 0.000 -7.767) 7.767 4.934 ( 0.000 0.000 -2.736) 2.736 4.971 ( 0.000 0.000 -1.844) 1.844 5.034 ( 0.000 0.000 -1.637) 1.637 5.036 ( 0.000 0.000 -4.392) 4.392 6.018 ( 0.000 0.000 1.850) 1.850 6.030 ( 0.000 0.000 1.268) 1.268 6.189 ( 0.000 0.000 -1.151) 1.151 6.201 ( 0.000 0.000 -1.824) 1.824 6.722 ( 0.000 0.000 2.728) 2.728 6.883 ( 0.000 0.000 1.701) 1.701 6.905 ( 0.000 0.000 -0.779) 0.779 6.934 ( 0.000 0.000 0.654) 0.654 9.016 ( 0.000 0.000 3.755) 3.755 9.151 ( 0.000 0.000 -2.016) 2.016 9.303 ( 0.000 0.000 -2.622) 2.622 9.405 ( 0.000 0.000 0.248) 0.248 9.415 ( 0.000 0.000 -5.628) 5.628 9.977 ( 0.000 0.000 -7.243) 7.243 10.076 ( 0.000 0.000 2.072) 2.072 10.356 ( 0.000 0.000 -0.021) 0.021 10.471 ( 0.000 0.000 2.985) 2.985 10.749 ( 0.000 0.000 -3.964) 3.964 10.826 ( 0.000 0.000 1.634) 1.634 10.836 ( 0.000 0.000 -0.617) 0.617 ======================= Grid point 163 (52/125) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 12.941 0.000 24.224) 27.464 1.446 ( 23.455 0.000 21.106) 31.553 2.299 ( 13.770 0.000 39.046) 41.402 3.034 ( 2.527 0.000 -10.776) 11.068 3.127 ( 6.930 0.000 -10.004) 12.170 3.398 ( -4.000 0.000 6.053) 7.255 3.446 ( -6.158 0.000 7.791) 9.931 3.586 ( 0.744 0.000 1.714) 1.868 3.885 ( 4.323 0.000 8.566) 9.595 4.421 ( -6.344 0.000 -10.129) 11.952 4.517 ( -3.317 0.000 -7.158) 7.889 4.557 ( -1.035 0.000 -7.393) 7.465 4.915 ( -1.706 0.000 -2.139) 2.736 4.957 ( -1.278 0.000 -2.009) 2.381 4.964 ( -3.766 0.000 -1.253) 3.969 5.061 ( -0.394 0.000 -4.478) 4.495 6.022 ( 0.636 0.000 1.599) 1.721 6.057 ( 2.015 0.000 0.313) 2.039 6.133 ( -3.158 0.000 -0.609) 3.216 6.232 ( 0.916 0.000 -2.862) 3.005 6.674 ( -2.571 0.000 4.992) 5.615 6.846 ( -2.488 0.000 2.713) 3.681 6.954 ( 2.802 0.000 -2.410) 3.696 6.959 ( 1.420 0.000 -0.024) 1.420 9.020 ( 0.500 0.000 4.131) 4.161 9.152 ( 0.117 0.000 -1.471) 1.475 9.330 ( 2.084 0.000 -2.518) 3.269 9.419 ( 1.669 0.000 0.673) 1.800 9.420 ( 0.464 0.000 -5.188) 5.209 9.971 ( -0.538 0.000 -7.028) 7.049 10.060 ( -1.578 0.000 1.900) 2.470 10.332 ( -2.530 0.000 -0.271) 2.545 10.494 ( 2.097 0.000 2.591) 3.333 10.760 ( 1.027 0.000 -3.444) 3.594 10.771 ( -2.992 0.000 2.023) 3.612 10.868 ( 1.052 0.000 -0.434) 1.138 ======================= Grid point 164 (53/125) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 19.343 0.000 19.211) 27.262 1.902 ( 19.142 0.000 21.254) 28.603 2.729 ( 25.173 0.000 23.243) 34.263 3.049 ( -3.612 0.000 0.198) 3.617 3.256 ( -11.289 0.000 8.342) 14.036 3.337 ( 12.629 0.000 -8.565) 15.260 3.343 ( 1.155 0.000 -3.592) 3.773 3.609 ( 1.547 0.000 -0.328) 1.582 3.998 ( 5.956 0.000 8.285) 10.204 4.249 ( -9.863 0.000 -10.228) 14.209 4.418 ( -5.665 0.000 -5.963) 8.226 4.506 ( -4.204 0.000 -6.275) 7.553 4.868 ( -2.788 0.000 -0.718) 2.879 4.884 ( -3.986 0.000 0.376) 4.003 4.924 ( -1.588 0.000 -2.205) 2.717 5.027 ( -2.587 0.000 -4.320) 5.036 6.036 ( 0.516 0.000 0.646) 0.827 6.072 ( -2.517 0.000 -0.376) 2.545 6.099 ( 1.852 0.000 -1.271) 2.246 6.233 ( -0.763 0.000 -4.123) 4.193 6.652 ( 0.482 0.000 5.877) 5.896 6.796 ( -2.212 0.000 4.008) 4.578 6.980 ( 0.649 0.000 -0.684) 0.943 6.990 ( 0.732 0.000 -2.464) 2.571 9.040 ( 1.399 0.000 4.494) 4.707 9.152 ( -0.291 0.000 -0.061) 0.297 9.367 ( 1.392 0.000 -0.556) 1.499 9.429 ( 0.308 0.000 -3.936) 3.948 9.488 ( 4.860 0.000 0.299) 4.870 9.961 ( -0.113 0.000 -6.297) 6.298 10.010 ( -3.335 0.000 1.311) 3.584 10.247 ( -5.537 0.000 -0.447) 5.555 10.550 ( 3.041 0.000 2.025) 3.654 10.718 ( -1.987 0.000 3.042) 3.634 10.788 ( 1.581 0.000 -2.248) 2.748 10.878 ( 0.017 0.000 -0.625) 0.625 ======================= Grid point 165 (54/125) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 20.906 0.000 15.212) 25.855 2.258 ( 15.751 0.000 20.299) 25.693 2.873 ( -11.706 0.000 10.328) 15.611 2.892 ( -14.848 0.000 10.667) 18.283 3.306 ( 18.805 0.000 6.847) 20.012 3.457 ( 8.013 0.000 -9.151) 12.163 3.613 ( 12.498 0.000 -5.865) 13.806 3.643 ( 1.388 0.000 -3.531) 3.794 4.040 ( -8.814 0.000 -10.232) 13.504 4.097 ( 2.413 0.000 4.965) 5.520 4.311 ( -3.909 0.000 -2.994) 4.924 4.384 ( -6.997 0.000 -3.556) 7.849 4.799 ( -3.486 0.000 1.247) 3.702 4.802 ( -3.562 0.000 2.214) 4.194 4.905 ( -0.084 0.000 -2.462) 2.463 4.969 ( -2.742 0.000 -3.531) 4.470 6.035 ( -0.980 0.000 -0.461) 1.083 6.038 ( -0.321 0.000 -0.125) 0.345 6.135 ( 1.652 0.000 -2.933) 3.366 6.206 ( -1.664 0.000 -4.644) 4.933 6.680 ( 1.845 0.000 5.600) 5.896 6.755 ( -1.781 0.000 4.815) 5.134 6.988 ( 0.149 0.000 -1.110) 1.120 6.994 ( -0.155 0.000 -1.858) 1.865 9.074 ( 1.790 0.000 4.123) 4.495 9.138 ( -1.049 0.000 1.651) 1.956 9.394 ( 1.351 0.000 0.777) 1.559 9.431 ( -0.210 0.000 -2.126) 2.136 9.609 ( 6.686 0.000 0.293) 6.692 9.912 ( -6.299 0.000 0.812) 6.351 9.975 ( 1.581 0.000 -4.843) 5.094 10.125 ( -5.575 0.000 -0.844) 5.638 10.611 ( 2.700 0.000 1.976) 3.346 10.687 ( -1.268 0.000 3.003) 3.260 10.822 ( 1.601 0.000 -1.140) 1.966 10.871 ( -0.649 0.000 -0.550) 0.850 ======================= Grid point 166 (55/125) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -11.440 0.000 13.746) 17.884 2.461 ( 11.440 0.000 13.746) 17.884 2.627 ( -6.198 0.000 14.414) 15.690 2.627 ( 6.198 0.000 14.414) 15.690 3.556 ( -3.292 0.000 -4.272) 5.393 3.556 ( 3.292 0.000 -4.272) 5.393 3.690 ( -4.207 0.000 -6.664) 7.881 3.690 ( 4.207 0.000 -6.664) 7.881 4.037 ( -6.446 0.000 -3.840) 7.503 4.037 ( 6.446 0.000 -3.840) 7.503 4.281 ( -1.090 0.000 0.604) 1.246 4.281 ( 1.090 0.000 0.604) 1.246 4.757 ( -0.082 0.000 2.851) 2.852 4.757 ( 0.082 0.000 2.851) 2.852 4.922 ( -0.922 0.000 -2.884) 3.028 4.922 ( 0.922 0.000 -2.884) 3.028 6.029 ( -0.280 0.000 -0.462) 0.540 6.029 ( 0.280 0.000 -0.462) 0.540 6.170 ( -0.819 0.000 -4.193) 4.272 6.170 ( 0.819 0.000 -4.193) 4.272 6.719 ( -0.794 0.000 5.229) 5.289 6.719 ( 0.794 0.000 5.229) 5.289 6.990 ( -0.142 0.000 -1.438) 1.445 6.990 ( 0.142 0.000 -1.438) 1.445 9.110 ( -1.594 0.000 3.110) 3.495 9.110 ( 1.594 0.000 3.110) 3.495 9.419 ( -0.610 0.000 -0.159) 0.630 9.419 ( 0.610 0.000 -0.159) 0.630 9.761 ( -7.735 0.000 0.714) 7.768 9.761 ( 7.735 0.000 0.714) 7.768 10.029 ( -2.929 0.000 -2.667) 3.961 10.029 ( 2.929 0.000 -2.667) 3.961 10.657 ( -1.744 0.000 2.433) 2.993 10.657 ( 1.744 0.000 2.433) 2.993 10.852 ( -0.706 0.000 -0.594) 0.923 10.852 ( 0.706 0.000 -0.594) 0.923 ======================= Grid point 171 (56/125) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.000 12.589 23.870) 26.986 1.460 ( 0.000 23.903 20.698) 31.619 2.297 ( 0.000 13.530 38.811) 41.102 3.021 ( 0.000 1.389 -10.313) 10.406 3.093 ( 0.000 3.688 -9.454) 10.148 3.406 ( 0.000 -3.956 8.587) 9.454 3.494 ( 0.000 0.197 1.561) 1.573 3.652 ( 0.000 4.359 5.221) 6.801 3.804 ( 0.000 -1.881 7.770) 7.994 4.436 ( 0.000 -4.423 -8.615) 9.684 4.527 ( 0.000 -3.609 -8.452) 9.190 4.556 ( 0.000 0.634 -6.549) 6.579 4.925 ( 0.000 -1.610 -0.950) 1.870 4.947 ( 0.000 -2.366 -1.866) 3.013 5.010 ( 0.000 -2.293 -3.922) 4.543 5.026 ( 0.000 -0.984 -3.760) 3.887 6.021 ( 0.000 0.331 1.635) 1.668 6.033 ( 0.000 0.233 1.121) 1.145 6.183 ( 0.000 -0.373 -0.892) 0.967 6.191 ( 0.000 -0.934 -2.082) 2.281 6.600 ( 0.000 -5.666 7.844) 9.676 6.885 ( 0.000 -1.700 -0.661) 1.824 6.929 ( 0.000 -0.612 0.578) 0.842 6.995 ( 0.000 4.708 -3.816) 6.060 9.011 ( 0.000 -0.357 4.272) 4.287 9.153 ( 0.000 0.084 -1.227) 1.230 9.317 ( 0.000 1.390 -2.493) 2.854 9.423 ( 0.000 0.822 -5.216) 5.280 9.432 ( 0.000 2.452 0.482) 2.499 9.969 ( 0.000 -0.551 -6.354) 6.378 10.086 ( 0.000 0.732 1.721) 1.870 10.348 ( 0.000 -0.747 -0.541) 0.922 10.483 ( 0.000 0.945 3.166) 3.304 10.757 ( 0.000 0.715 -3.761) 3.828 10.830 ( 0.000 0.296 1.750) 1.775 10.833 ( 0.000 -0.234 -0.106) 0.256 ======================= Grid point 172 (57/125) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 16.649 13.520 18.965) 28.629 1.586 ( 13.642 16.737 20.444) 29.735 2.433 ( 13.463 13.250 34.405) 39.250 3.035 ( 1.571 0.418 -8.561) 8.714 3.175 ( 7.185 4.118 -9.015) 12.241 3.367 ( -3.487 -2.181 5.582) 6.933 3.479 ( -1.948 1.312 3.907) 4.558 3.615 ( -3.081 3.251 3.519) 5.696 3.841 ( 3.616 -3.453 7.795) 9.261 4.373 ( -5.642 -3.904 -8.440) 10.877 4.508 ( -2.794 -2.050 -6.857) 7.683 4.531 ( -1.612 -1.226 -7.302) 7.577 4.907 ( -1.650 -1.456 -1.133) 2.475 4.929 ( -1.701 -2.237 -1.465) 3.169 4.967 ( -2.831 -0.158 -2.864) 4.030 5.033 ( -0.409 -2.509 -4.056) 4.787 6.019 ( 0.104 -0.237 1.367) 1.391 6.054 ( 1.338 -0.274 0.167) 1.376 6.127 ( -2.820 -0.604 -0.809) 2.995 6.226 ( 1.028 -0.493 -2.862) 3.081 6.596 ( -0.024 -4.333 7.492) 8.655 6.863 ( -2.926 -0.096 1.322) 3.213 6.911 ( 0.712 -1.678 -0.586) 1.915 7.028 ( 1.477 2.960 -3.377) 4.727 9.020 ( 0.901 0.049 4.566) 4.654 9.157 ( 0.339 0.330 -0.884) 1.003 9.344 ( 2.149 1.356 -2.314) 3.436 9.431 ( 0.630 0.984 -4.649) 4.794 9.446 ( 1.635 2.445 0.856) 3.063 9.967 ( -0.173 -0.206 -6.208) 6.214 10.071 ( -1.436 0.896 1.638) 2.356 10.327 ( -2.235 -0.502 -0.579) 2.362 10.506 ( 2.098 0.984 2.813) 3.644 10.763 ( -0.105 0.377 -1.862) 1.903 10.783 ( -1.617 0.930 0.727) 2.002 10.864 ( 1.020 -0.282 0.001) 1.058 ======================= Grid point 173 (58/125) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 16.068 15.892 16.157) 27.781 1.973 ( 18.686 6.653 19.498) 27.814 2.835 ( 22.923 9.946 21.058) 32.678 3.041 ( -3.390 0.211 0.459) 3.428 3.295 ( -2.556 1.530 0.390) 3.004 3.348 ( 0.849 2.704 -0.991) 3.003 3.396 ( 3.706 3.941 -2.008) 5.771 3.593 ( 1.676 -0.970 -1.479) 2.436 3.931 ( 3.916 -5.490 5.857) 8.932 4.227 ( -7.486 -2.233 -7.124) 10.572 4.409 ( -5.917 -1.140 -5.225) 7.976 4.488 ( -3.244 -1.578 -6.418) 7.362 4.853 ( -3.623 -2.098 -0.947) 4.293 4.885 ( -2.462 -0.142 0.039) 2.467 4.910 ( -2.349 -0.709 -1.998) 3.165 5.007 ( -1.969 -1.767 -3.229) 4.175 6.018 ( -0.438 -1.617 0.400) 1.723 6.055 ( -1.426 -1.182 -0.593) 1.945 6.102 ( 0.752 -0.160 -1.677) 1.845 6.229 ( -0.577 -0.303 -4.289) 4.338 6.609 ( 1.346 -2.902 6.730) 7.452 6.802 ( -2.642 -0.098 3.302) 4.230 6.935 ( 1.233 -2.119 -1.077) 2.678 7.037 ( -0.543 1.811 -2.504) 3.137 9.049 ( 1.897 0.915 4.778) 5.222 9.163 ( 0.160 1.050 0.183) 1.078 9.384 ( 1.539 1.574 -0.700) 2.310 9.445 ( 0.666 1.469 -3.426) 3.786 9.512 ( 4.724 2.236 0.909) 5.305 9.966 ( 0.123 0.489 -5.363) 5.387 10.027 ( -2.953 1.327 1.045) 3.402 10.251 ( -4.907 0.362 -0.419) 4.938 10.562 ( 3.094 1.123 2.276) 4.002 10.727 ( -1.790 0.817 3.014) 3.599 10.796 ( 1.365 0.738 -2.027) 2.553 10.876 ( 0.208 -0.111 -0.266) 0.355 ======================= Grid point 174 (59/125) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 17.707 10.346 13.890) 24.769 2.331 ( 16.196 7.112 17.660) 24.996 2.868 ( -11.769 1.876 8.587) 14.689 3.007 ( -12.573 8.405 10.247) 18.269 3.349 ( 14.496 3.397 4.404) 15.527 3.431 ( 7.865 -1.831 -6.575) 10.413 3.586 ( 7.282 -1.760 -2.960) 8.055 3.676 ( 6.092 2.150 -6.090) 8.878 3.934 ( -3.275 -6.478 -4.640) 8.615 4.133 ( -1.270 0.491 0.598) 1.487 4.292 ( -4.354 -1.538 -2.624) 5.311 4.393 ( -5.460 0.099 -3.779) 6.641 4.775 ( -3.207 -2.212 0.761) 3.969 4.815 ( -3.982 1.133 2.162) 4.671 4.885 ( -0.241 -1.556 -2.003) 2.548 4.961 ( -2.134 -0.640 -2.262) 3.175 6.005 ( -0.447 -2.319 -0.491) 2.412 6.029 ( -1.123 -1.304 -0.657) 1.842 6.123 ( 0.985 -0.924 -3.359) 3.621 6.209 ( -1.144 0.057 -5.092) 5.219 6.644 ( 1.740 -2.620 6.039) 6.809 6.757 ( -1.747 -0.378 4.387) 4.737 6.959 ( 1.143 -1.557 -1.283) 2.319 7.014 ( -1.425 0.615 -1.694) 2.298 9.093 ( 2.170 1.768 4.249) 5.088 9.158 ( -0.716 1.856 1.695) 2.613 9.413 ( 1.304 1.693 0.470) 2.188 9.454 ( 0.095 2.061 -1.779) 2.725 9.632 ( 6.668 2.115 1.041) 7.072 9.926 ( -5.683 1.326 1.130) 5.944 9.991 ( 1.279 1.453 -4.326) 4.740 10.143 ( -4.945 1.542 -0.608) 5.216 10.624 ( 2.719 1.241 2.204) 3.713 10.698 ( -1.160 1.071 3.106) 3.484 10.824 ( 1.217 0.301 -1.016) 1.613 10.875 ( -0.241 0.392 -0.264) 0.530 ======================= Grid point 175 (60/125) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.000 4.550 13.312) 14.068 2.549 ( 0.000 6.752 11.990) 13.760 2.709 ( 0.000 7.502 11.629) 13.839 2.717 ( -0.000 8.371 13.563) 15.939 3.525 ( 0.000 -2.518 -2.894) 3.837 3.535 ( 0.000 -2.432 -6.578) 7.013 3.673 ( 0.000 -0.164 -4.389) 4.392 3.697 ( -0.000 -0.919 -8.186) 8.238 3.982 ( -0.000 -2.206 -2.050) 3.012 4.063 ( 0.000 0.247 -2.622) 2.634 4.279 ( 0.000 0.174 0.245) 0.301 4.301 ( -0.000 0.462 -0.244) 0.522 4.745 ( 0.000 -1.089 3.002) 3.194 4.756 ( 0.000 -0.091 2.466) 2.468 4.887 ( -0.000 -1.735 -2.343) 2.915 4.934 ( 0.000 0.173 -1.642) 1.651 6.005 ( 0.000 -2.313 -0.921) 2.490 6.011 ( -0.000 -1.637 -0.594) 1.742 6.135 ( 0.000 -1.470 -4.203) 4.453 6.194 ( -0.000 0.503 -5.179) 5.204 6.667 ( 0.000 -2.873 5.725) 6.406 6.735 ( 0.000 -0.264 4.752) 4.759 6.984 ( -0.000 -0.659 -1.636) 1.764 6.985 ( 0.000 -0.503 -1.120) 1.228 9.133 ( -0.000 2.202 3.305) 3.971 9.134 ( 0.000 2.133 2.958) 3.646 9.431 ( 0.000 1.587 0.182) 1.598 9.451 ( 0.000 2.402 -0.582) 2.472 9.781 ( 0.000 1.915 1.989) 2.761 9.783 ( -0.000 1.962 0.798) 2.118 10.025 ( 0.000 0.887 -3.051) 3.177 10.073 ( 0.000 2.590 -1.663) 3.078 10.670 ( 0.000 1.218 2.314) 2.615 10.671 ( -0.000 1.232 2.893) 3.144 10.839 ( 0.000 -0.193 -0.534) 0.568 10.871 ( 0.000 0.926 -0.272) 0.965 ======================= Grid point 180 (61/125) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.000 19.392 18.798) 27.008 1.934 ( 0.000 20.182 20.447) 28.730 2.712 ( 0.000 23.095 21.180) 31.337 3.029 ( 0.000 -1.861 -3.143) 3.653 3.209 ( 0.000 6.089 0.326) 6.097 3.304 ( 0.000 -3.040 2.836) 4.158 3.524 ( 0.000 2.005 -3.714) 4.220 3.644 ( 0.000 -2.509 4.349) 5.021 3.879 ( 0.000 7.569 5.488) 9.349 4.336 ( 0.000 -5.080 -7.641) 9.175 4.430 ( 0.000 -5.070 -8.260) 9.692 4.559 ( 0.000 -0.889 -5.482) 5.554 4.858 ( 0.000 -4.619 -0.290) 4.628 4.877 ( 0.000 -3.700 -1.037) 3.842 4.950 ( 0.000 -3.335 -2.712) 4.299 4.976 ( 0.000 -3.999 -3.559) 5.353 6.034 ( 0.000 1.037 0.843) 1.336 6.035 ( 0.000 -0.055 0.828) 0.830 6.164 ( 0.000 -1.555 -2.775) 3.181 6.179 ( 0.000 0.031 -0.797) 0.797 6.537 ( 0.000 -0.850 7.780) 7.826 6.846 ( 0.000 -1.768 -0.669) 1.890 6.908 ( 0.000 -1.392 0.541) 1.493 7.027 ( 0.000 -1.213 -4.848) 4.997 9.006 ( 0.000 -0.080 5.959) 5.960 9.149 ( 0.000 -0.484 0.179) 0.516 9.359 ( 0.000 2.571 -2.002) 3.258 9.447 ( 0.000 1.420 -4.713) 4.922 9.496 ( 0.000 3.374 0.926) 3.499 9.958 ( 0.000 -0.508 -5.046) 5.071 10.097 ( 0.000 0.179 1.914) 1.923 10.326 ( 0.000 -1.434 -1.020) 1.760 10.502 ( 0.000 0.766 3.532) 3.614 10.777 ( 0.000 1.174 -3.135) 3.348 10.833 ( 0.000 0.357 0.998) 1.060 10.836 ( 0.000 0.207 1.967) 1.978 ======================= Grid point 181 (62/125) ======================= q-point: ( 0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 15.892 16.053 16.230) 27.815 2.000 ( 6.242 19.300 18.987) 27.785 2.814 ( 9.463 19.295 18.676) 28.472 3.052 ( 2.394 1.026 -2.166) 3.388 3.252 ( 2.904 -0.159 4.120) 5.043 3.326 ( 2.568 2.523 -2.038) 4.137 3.514 ( -0.842 2.438 -3.008) 3.962 3.649 ( -0.257 -1.200 3.372) 3.588 3.835 ( -2.862 4.609 5.362) 7.628 4.287 ( -4.900 -3.923 -6.359) 8.935 4.424 ( -0.638 -4.960 -7.813) 9.277 4.514 ( -3.849 -1.616 -5.415) 6.838 4.842 ( -1.731 -4.424 -0.930) 4.841 4.878 ( -0.286 -2.432 -0.693) 2.545 4.935 ( -1.388 -3.184 -2.056) 4.036 4.967 ( -0.525 -3.770 -2.818) 4.736 6.013 ( -1.230 -0.319 0.742) 1.472 6.051 ( 0.288 0.109 -0.312) 0.438 6.108 ( -2.655 -1.216 -1.315) 3.202 6.215 ( 1.132 -0.479 -3.141) 3.373 6.543 ( 0.671 -0.856 7.391) 7.471 6.840 ( -1.742 -1.620 0.648) 2.466 6.880 ( -0.535 -1.508 -0.263) 1.621 7.048 ( 1.006 -1.051 -4.045) 4.298 9.024 ( 1.782 0.431 5.989) 6.263 9.162 ( 1.130 0.050 0.298) 1.169 9.383 ( 1.995 2.303 -1.671) 3.475 9.458 ( 0.995 1.582 -4.403) 4.783 9.511 ( 1.593 3.415 1.609) 4.097 9.964 ( 0.535 -0.133 -4.920) 4.950 10.087 ( -0.963 0.504 1.904) 2.193 10.310 ( -1.578 -1.083 -0.817) 2.081 10.527 ( 2.357 0.977 3.275) 4.152 10.777 ( -0.596 0.968 -0.431) 1.216 10.805 ( -0.523 1.137 0.174) 1.264 10.861 ( 1.012 0.032 0.835) 1.313 ======================= Grid point 182 (63/125) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 13.843 12.063 18.276) 25.906 2.204 ( 15.355 17.248 10.781) 25.485 3.014 ( 4.220 2.270 5.267) 7.121 3.165 ( 10.343 13.533 8.410) 18.996 3.283 ( 1.516 -2.734 1.903) 3.660 3.410 ( 3.714 4.207 -1.716) 5.868 3.493 ( -3.372 3.335 1.359) 4.933 3.606 ( 0.486 2.618 -3.354) 4.282 3.832 ( 1.729 -2.045 2.931) 3.970 4.165 ( -5.412 -3.186 -3.809) 7.345 4.362 ( -5.492 -3.106 -4.924) 8.003 4.442 ( -2.910 -3.047 -5.729) 7.112 4.781 ( -3.855 -4.409 -1.480) 6.041 4.865 ( -0.785 -1.120 -0.546) 1.473 4.903 ( -1.659 -0.942 0.497) 1.971 4.957 ( -0.620 -2.953 -1.375) 3.316 5.980 ( -1.842 -1.723 -0.257) 2.536 6.029 ( -1.925 -1.391 -1.119) 2.625 6.089 ( 0.385 -0.930 -2.342) 2.549 6.220 ( -0.567 -0.640 -4.967) 5.040 6.566 ( 1.462 -1.082 6.674) 6.918 6.783 ( -2.821 -1.589 2.834) 4.303 6.896 ( 1.332 -1.563 -1.033) 2.299 7.047 ( -1.088 -0.870 -2.782) 3.111 9.076 ( 3.059 1.601 5.686) 6.653 9.189 ( 1.312 1.257 0.858) 2.010 9.425 ( 1.801 2.216 -0.559) 2.910 9.484 ( 1.316 2.060 -3.251) 4.068 9.572 ( 4.423 3.234 2.337) 5.957 9.980 ( 0.940 0.753 -4.029) 4.205 10.054 ( -2.327 1.132 1.559) 3.021 10.257 ( -3.517 0.085 -0.280) 3.529 10.590 ( 3.410 1.402 2.860) 4.667 10.750 ( -1.372 1.306 3.074) 3.611 10.818 ( 1.119 1.352 -1.403) 2.247 10.878 ( 0.637 0.299 0.410) 0.814 ======================= Grid point 183 (64/125) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 12.740 11.422 14.692) 22.553 2.550 ( 16.081 13.089 9.607) 22.852 2.947 ( -7.889 5.384 6.639) 11.631 3.214 ( -11.657 10.404 7.234) 17.218 3.348 ( 5.084 -3.799 -1.691) 6.569 3.442 ( 5.709 2.184 -2.356) 6.550 3.570 ( 7.839 0.645 -0.983) 7.927 3.693 ( 2.505 -1.744 -5.589) 6.368 3.842 ( 1.906 -0.625 -3.184) 3.763 4.119 ( -0.187 -0.996 0.956) 1.393 4.250 ( -3.630 -2.510 -2.105) 4.890 4.362 ( -4.701 -3.267 -4.204) 7.102 4.711 ( -1.894 -3.478 0.070) 3.961 4.832 ( -3.606 -0.368 2.606) 4.465 4.874 ( -0.230 1.388 -0.042) 1.407 4.942 ( -0.652 -1.302 0.077) 1.458 5.950 ( -0.822 -2.633 -1.233) 3.021 5.990 ( -1.735 -2.252 -1.235) 3.100 6.101 ( 0.627 -1.123 -4.163) 4.358 6.200 ( -1.091 -0.984 -6.168) 6.340 6.598 ( 1.442 -1.511 6.110) 6.457 6.734 ( -1.814 -1.668 4.026) 4.720 6.927 ( 1.577 -1.531 -1.182) 2.496 7.010 ( -2.224 -1.050 -1.684) 2.981 9.142 ( 2.994 2.712 4.679) 6.182 9.206 ( 0.144 2.497 1.956) 3.175 9.458 ( 1.444 2.502 0.266) 2.900 9.504 ( 0.525 2.503 -1.725) 3.085 9.688 ( 6.501 2.923 2.664) 7.610 9.960 ( -4.687 1.747 2.141) 5.441 10.026 ( 1.377 1.654 -3.128) 3.797 10.176 ( -3.864 1.399 -0.136) 4.111 10.657 ( 2.864 1.759 2.760) 4.349 10.727 ( -0.917 1.625 3.374) 3.855 10.840 ( 0.864 1.297 -0.560) 1.656 10.887 ( 0.298 0.739 0.281) 0.845 ======================= Grid point 184 (65/125) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 0.000 8.175 11.689) 14.264 2.722 ( -0.000 9.510 10.527) 14.187 2.908 ( 0.000 10.834 6.826) 12.805 2.943 ( -0.000 12.211 9.134) 15.249 3.450 ( 0.000 -4.577 -1.933) 4.968 3.486 ( -0.000 -1.656 -5.660) 5.897 3.659 ( 0.000 -2.371 -7.532) 7.897 3.660 ( -0.000 -1.867 -4.496) 4.868 3.964 ( -0.000 0.517 -1.595) 1.677 4.053 ( 0.000 -1.009 -0.988) 1.412 4.270 ( 0.000 -1.528 -1.343) 2.034 4.272 ( -0.000 -3.447 -1.172) 3.641 4.724 ( 0.000 -0.410 3.787) 3.809 4.749 ( 0.000 -0.698 2.131) 2.243 4.877 ( 0.000 1.158 -0.031) 1.159 4.935 ( 0.000 -0.138 0.799) 0.811 5.945 ( 0.000 -3.014 -1.831) 3.526 5.967 ( -0.000 -2.499 -1.072) 2.719 6.109 ( 0.000 -1.105 -4.934) 5.056 6.186 ( -0.000 -1.252 -6.536) 6.655 6.615 ( 0.000 -1.761 5.879) 6.137 6.714 ( 0.000 -1.648 4.418) 4.715 6.962 ( -0.000 -1.434 -1.599) 2.148 6.967 ( 0.000 -1.322 -0.884) 1.591 9.190 ( -0.000 3.003 3.146) 4.349 9.192 ( 0.000 3.196 3.466) 4.715 9.477 ( 0.000 2.614 0.322) 2.634 9.507 ( 0.000 2.676 -1.022) 2.864 9.830 ( 0.000 2.549 3.769) 4.550 9.832 ( -0.000 2.451 1.940) 3.126 10.058 ( 0.000 2.061 -2.443) 3.196 10.121 ( 0.000 1.762 -0.620) 1.868 10.703 ( 0.000 1.800 2.689) 3.236 10.704 ( -0.000 1.840 3.376) 3.845 10.850 ( 0.000 1.235 -0.145) 1.244 10.890 ( 0.000 0.962 0.264) 0.997 ======================= Grid point 189 (66/125) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 0.000 20.129 14.398) 24.749 2.317 ( 0.000 17.267 20.507) 26.808 2.897 ( 0.000 -10.832 6.317) 12.540 2.912 ( 0.000 -7.198 13.417) 15.226 3.304 ( 0.000 8.272 -3.296) 8.904 3.519 ( 0.000 17.996 4.233) 18.487 3.530 ( 0.000 -0.512 -2.993) 3.036 3.694 ( 0.000 6.610 -3.856) 7.652 4.006 ( 0.000 2.666 1.588) 3.103 4.225 ( 0.000 -5.014 -9.655) 10.879 4.343 ( 0.000 -3.047 -5.832) 6.580 4.520 ( 0.000 -1.621 -4.575) 4.854 4.732 ( 0.000 -7.575 1.148) 7.661 4.825 ( 0.000 -1.134 1.238) 1.679 4.873 ( 0.000 -3.908 -0.830) 3.995 4.882 ( 0.000 -4.028 -2.598) 4.793 6.031 ( 0.000 -0.314 0.593) 0.671 6.061 ( 0.000 1.318 0.124) 1.324 6.132 ( 0.000 -1.342 -3.583) 3.826 6.181 ( 0.000 0.020 -1.179) 1.180 6.541 ( 0.000 0.837 6.192) 6.248 6.819 ( 0.000 -0.724 -0.974) 1.214 6.877 ( 0.000 -1.388 0.574) 1.502 6.975 ( 0.000 -2.948 -4.174) 5.110 9.007 ( 0.000 0.170 8.183) 8.185 9.136 ( 0.000 -0.686 1.029) 1.236 9.415 ( 0.000 2.414 -1.124) 2.663 9.477 ( 0.000 1.272 -5.159) 5.314 9.559 ( 0.000 2.359 1.230) 2.661 9.947 ( 0.000 -0.580 -3.755) 3.800 10.094 ( 0.000 -0.335 2.506) 2.528 10.292 ( 0.000 -1.534 -0.700) 1.686 10.516 ( 0.000 0.565 3.902) 3.942 10.802 ( 0.000 1.129 -2.310) 2.571 10.836 ( 0.000 -0.168 2.096) 2.103 10.845 ( 0.000 0.667 1.630) 1.761 ======================= Grid point 190 (67/125) ======================= q-point: ( 0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 10.657 17.246 13.230) 24.208 2.372 ( 5.431 16.782 18.163) 25.318 2.899 ( 2.487 -7.923 9.144) 12.352 3.011 ( 6.575 -8.996 9.325) 14.530 3.342 ( 3.305 7.971 -3.935) 9.484 3.462 ( -1.495 4.094 -1.038) 4.480 3.597 ( 0.779 10.398 0.430) 10.436 3.708 ( 2.714 7.615 -1.879) 8.299 3.923 ( -5.719 1.322 0.148) 5.871 4.230 ( -3.698 -1.045 -5.017) 6.320 4.324 ( 0.739 -4.426 -7.396) 8.651 4.464 ( -4.837 -2.041 -4.421) 6.863 4.736 ( -0.159 -5.759 0.710) 5.804 4.831 ( -0.650 -3.846 0.795) 3.980 4.848 ( -0.427 -2.616 0.215) 2.660 4.890 ( 0.406 -3.154 -1.764) 3.637 6.007 ( -1.934 -0.163 0.190) 1.950 6.059 ( -1.405 0.466 -1.144) 1.870 6.081 ( -2.184 -1.112 -1.690) 2.977 6.206 ( 0.889 -0.388 -3.595) 3.723 6.546 ( 0.460 0.723 5.967) 6.029 6.811 ( -2.483 -0.981 0.751) 2.774 6.848 ( 0.175 -1.384 -0.674) 1.550 7.005 ( 1.490 -2.433 -3.444) 4.472 9.036 ( 2.648 0.545 7.904) 8.354 9.158 ( 2.010 -0.340 1.154) 2.343 9.432 ( 1.530 2.109 -0.831) 2.736 9.491 ( 1.249 1.380 -4.845) 5.190 9.574 ( 1.643 2.407 2.018) 3.545 9.960 ( 1.175 -0.297 -3.648) 3.845 10.090 ( -0.470 -0.142 2.564) 2.611 10.285 ( -0.808 -1.179 -0.469) 1.504 10.545 ( 2.687 0.695 3.704) 4.628 10.799 ( -0.831 1.022 1.333) 1.874 10.825 ( 0.381 0.624 -0.687) 1.003 10.865 ( 1.061 0.314 1.415) 1.796 ======================= Grid point 191 (68/125) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 12.189 12.549 13.817) 22.292 2.548 ( 11.537 15.067 10.653) 21.763 2.992 ( 5.779 -4.427 7.923) 10.759 3.147 ( 5.645 -7.460 6.350) 11.307 3.397 ( 0.507 4.205 -0.996) 4.351 3.473 ( 2.288 0.003 -4.192) 4.775 3.585 ( 0.588 7.379 -2.593) 7.843 3.698 ( -5.988 5.086 -1.222) 7.951 3.887 ( 1.929 6.615 0.242) 6.895 4.114 ( -3.957 -1.737 -1.661) 4.630 4.310 ( -4.591 -1.201 -4.618) 6.621 4.362 ( -3.657 -4.009 -5.446) 7.688 4.696 ( -3.141 -2.948 -0.580) 4.347 4.826 ( 0.465 -4.940 2.962) 5.778 4.857 ( 1.061 -1.230 1.715) 2.362 4.905 ( 0.959 -1.640 -0.615) 1.997 5.957 ( -2.763 -0.399 -0.988) 2.962 5.997 ( -3.001 -1.642 -1.641) 3.794 6.073 ( 0.136 -0.407 -2.732) 2.765 6.204 ( -0.996 -0.764 -5.804) 5.939 6.562 ( 1.069 0.470 5.616) 5.736 6.746 ( -3.019 -1.727 2.807) 4.469 6.872 ( 1.402 -0.695 -1.094) 1.909 7.012 ( -0.835 -2.047 -2.487) 3.328 9.109 ( 4.194 1.395 6.950) 8.236 9.209 ( 2.556 0.517 1.566) 3.042 9.470 ( 1.934 1.863 -0.172) 2.690 9.523 ( 1.585 1.476 -3.686) 4.275 9.633 ( 4.128 2.351 3.286) 5.776 9.993 ( 1.931 0.428 -2.921) 3.527 10.068 ( -1.855 0.209 2.626) 3.222 10.254 ( -2.238 -0.289 0.057) 2.257 10.616 ( 3.833 1.003 3.382) 5.209 10.776 ( -1.028 1.085 3.452) 3.761 10.847 ( 1.352 1.232 -1.073) 2.120 10.886 ( 0.938 0.397 1.031) 1.449 ======================= Grid point 192 (69/125) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 10.714 10.654 12.875) 19.851 2.810 ( 12.194 10.412 6.426) 17.274 3.070 ( -0.350 5.651 6.963) 8.975 3.236 ( 4.147 -5.524 2.415) 7.317 3.371 ( -4.120 2.436 1.666) 5.067 3.483 ( -1.970 1.316 -3.076) 3.883 3.568 ( -0.007 -1.186 -0.947) 1.518 3.654 ( -0.383 -0.015 -6.629) 6.640 3.883 ( 1.913 3.036 -4.905) 6.077 4.123 ( 0.431 1.179 0.410) 1.321 4.197 ( -4.107 -2.254 -1.823) 5.027 4.271 ( -5.133 -4.727 -5.354) 8.795 4.663 ( 1.134 -0.486 1.745) 2.137 4.818 ( -1.913 -0.842 4.972) 5.394 4.889 ( 1.692 -1.743 2.185) 3.268 4.923 ( 0.631 0.730 0.912) 1.328 5.909 ( -1.516 -1.114 -1.920) 2.689 5.943 ( -2.194 -2.058 -1.772) 3.491 6.081 ( 0.670 -0.632 -4.880) 4.966 6.172 ( -1.791 -1.430 -7.006) 7.371 6.587 ( 1.181 0.334 5.386) 5.524 6.694 ( -1.881 -1.948 3.990) 4.822 6.900 ( 1.344 -0.875 -1.090) 1.939 6.978 ( -2.178 -1.763 -1.509) 3.182 9.195 ( 3.670 2.118 5.332) 6.810 9.250 ( 1.183 1.514 2.367) 3.049 9.508 ( 1.683 2.056 0.215) 2.666 9.548 ( 0.680 1.477 -2.019) 2.592 9.742 ( 6.130 2.031 3.931) 7.560 9.992 ( -4.200 1.196 3.288) 5.466 10.051 ( 2.348 0.665 -1.863) 3.070 10.195 ( -3.233 0.462 0.286) 3.278 10.691 ( 3.119 1.306 3.272) 4.705 10.760 ( -0.691 1.310 3.687) 3.974 10.873 ( 0.982 1.555 -0.080) 1.841 10.902 ( 0.553 0.545 0.799) 1.114 ======================= Grid point 193 (70/125) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 0.000 8.765 10.087) 13.363 2.913 ( -0.000 7.530 9.946) 12.475 3.121 ( -0.000 8.728 3.395) 9.365 3.174 ( 0.000 9.121 4.833) 10.322 3.350 ( 0.000 -4.276 -0.822) 4.354 3.466 ( 0.000 -1.234 -2.633) 2.908 3.589 ( 0.000 -3.958 -3.897) 5.555 3.610 ( -0.000 -2.223 -5.011) 5.482 3.998 ( -0.000 2.624 -4.794) 5.465 4.034 ( 0.000 -0.470 -3.507) 3.539 4.174 ( 0.000 -5.134 -2.088) 5.543 4.207 ( 0.000 -4.347 -2.937) 5.247 4.739 ( -0.000 1.512 5.599) 5.800 4.742 ( 0.000 0.293 3.613) 3.624 4.912 ( 0.000 1.461 2.103) 2.561 4.927 ( 0.000 -0.465 2.589) 2.630 5.896 ( 0.000 -1.510 -2.427) 2.858 5.916 ( -0.000 -2.162 -1.714) 2.759 6.093 ( 0.000 -0.219 -5.999) 6.003 6.147 ( -0.000 -2.235 -7.133) 7.475 6.602 ( 0.000 0.464 5.318) 5.338 6.673 ( 0.000 -2.154 4.314) 4.822 6.931 ( -0.000 -1.298 -1.329) 1.858 6.935 ( 0.000 -1.448 -0.839) 1.674 9.247 ( 0.000 2.218 3.564) 4.198 9.251 ( 0.000 2.153 3.705) 4.285 9.530 ( 0.000 2.224 0.017) 2.224 9.552 ( 0.000 1.415 -1.041) 1.757 9.875 ( -0.000 1.578 3.350) 3.703 9.876 ( 0.000 1.629 4.686) 4.961 10.100 ( 0.000 1.757 -1.167) 2.109 10.140 ( 0.000 0.048 0.015) 0.050 10.738 ( 0.000 1.430 3.245) 3.546 10.740 ( -0.000 1.397 3.647) 3.905 10.883 ( 0.000 1.697 0.408) 1.745 10.908 ( 0.000 0.595 0.694) 0.914 ======================= Grid point 198 (71/125) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 0.000 0.000 10.801) 10.801 2.650 ( 0.000 0.000 14.713) 14.713 2.662 ( 0.000 -0.000 20.483) 20.483 2.697 ( 0.000 0.000 11.564) 11.564 3.405 ( 0.000 0.000 -9.116) 9.116 3.527 ( 0.000 0.000 -2.962) 2.962 3.763 ( 0.000 0.000 4.302) 4.302 3.808 ( 0.000 0.000 -7.411) 7.411 3.991 ( 0.000 -0.000 0.060) 0.060 4.171 ( 0.000 -0.000 -12.155) 12.155 4.307 ( 0.000 0.000 -4.150) 4.150 4.517 ( 0.000 0.000 -4.203) 4.203 4.617 ( 0.000 0.000 4.377) 4.377 4.818 ( 0.000 -0.000 1.121) 1.121 4.819 ( 0.000 0.000 2.212) 2.212 4.838 ( 0.000 0.000 -2.885) 2.885 6.027 ( 0.000 0.000 0.491) 0.491 6.077 ( 0.000 0.000 0.032) 0.032 6.116 ( 0.000 0.000 -3.958) 3.958 6.180 ( 0.000 0.000 -1.520) 1.520 6.554 ( 0.000 0.000 5.442) 5.442 6.813 ( 0.000 0.000 -1.340) 1.340 6.860 ( 0.000 0.000 0.756) 0.756 6.938 ( 0.000 0.000 -3.801) 3.801 9.010 ( 0.000 0.000 9.329) 9.329 9.127 ( 0.000 0.000 1.158) 1.158 9.443 ( 0.000 0.000 -0.365) 0.365 9.492 ( 0.000 0.000 -5.973) 5.973 9.584 ( 0.000 0.000 1.322) 1.322 9.939 ( 0.000 0.000 -3.059) 3.059 10.090 ( 0.000 0.000 2.765) 2.765 10.274 ( 0.000 0.000 -0.378) 0.378 10.522 ( 0.000 0.000 4.058) 4.058 10.817 ( 0.000 0.000 -2.674) 2.674 10.831 ( 0.000 0.000 2.889) 2.889 10.853 ( 0.000 0.000 1.752) 1.752 ======================= Grid point 200 (72/125) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 7.058 0.000 10.396) 12.566 2.641 ( 1.941 0.000 12.582) 12.731 2.736 ( 6.965 0.000 18.659) 19.916 2.815 ( 8.111 -0.000 11.236) 13.858 3.431 ( 2.506 0.000 -8.684) 9.039 3.480 ( -3.226 0.000 -2.747) 4.237 3.790 ( -1.758 0.000 -7.429) 7.634 3.803 ( -1.933 -0.000 0.883) 2.125 3.919 ( 0.785 -0.000 0.654) 1.022 4.230 ( -7.072 0.000 -4.194) 8.222 4.263 ( 5.062 0.000 -8.453) 9.853 4.452 ( -5.338 0.000 -3.660) 6.473 4.649 ( 2.677 0.000 4.413) 5.161 4.767 ( -3.725 0.000 -0.234) 3.733 4.833 ( 1.034 0.000 2.679) 2.872 4.853 ( 0.885 0.000 -1.414) 1.669 6.007 ( -1.716 0.000 0.048) 1.717 6.057 ( -4.257 0.000 -2.540) 4.957 6.076 ( -0.207 0.000 -0.794) 0.821 6.201 ( 0.706 0.000 -3.888) 3.951 6.556 ( 0.352 0.000 5.226) 5.238 6.801 ( -3.909 0.000 1.158) 4.077 6.832 ( 1.575 0.000 -1.250) 2.011 6.975 ( 1.739 0.000 -3.050) 3.510 9.042 ( 3.028 0.000 8.926) 9.426 9.153 ( 2.339 0.000 1.307) 2.680 9.457 ( 1.259 0.000 -0.266) 1.287 9.507 ( 1.329 0.000 -5.456) 5.616 9.601 ( 1.679 0.000 2.134) 2.715 9.955 ( 1.480 0.000 -2.995) 3.341 10.088 ( -0.311 0.000 2.870) 2.887 10.271 ( -0.423 0.000 -0.176) 0.459 10.553 ( 2.811 0.000 3.880) 4.791 10.812 ( -1.262 0.000 3.200) 3.440 10.830 ( 1.189 0.000 -2.298) 2.587 10.869 ( 1.024 0.000 1.696) 1.981 ======================= Grid point 202 (73/125) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 9.819 0.000 10.431) 14.326 2.741 ( 7.273 0.000 9.852) 12.246 2.934 ( 11.485 0.000 13.111) 17.430 2.992 ( 8.413 -0.000 8.501) 11.960 3.421 ( -2.484 0.000 -1.971) 3.171 3.494 ( 2.709 0.000 -6.349) 6.903 3.667 ( -7.286 0.000 -3.841) 8.236 3.737 ( -3.148 0.000 -7.667) 8.288 4.043 ( 6.784 -0.000 4.710) 8.259 4.048 ( -9.248 0.000 -4.421) 10.250 4.306 ( -1.550 0.000 -6.983) 7.153 4.319 ( -7.083 0.000 -3.877) 8.075 4.688 ( -3.094 0.000 0.250) 3.104 4.722 ( 4.227 0.000 5.497) 6.934 4.849 ( 0.417 0.000 3.683) 3.707 4.887 ( 2.461 0.000 -0.641) 2.543 5.963 ( -2.347 0.000 -0.994) 2.549 5.968 ( -3.993 -0.000 -2.170) 4.545 6.070 ( -0.172 0.000 -2.782) 2.788 6.195 ( -1.288 0.000 -6.223) 6.355 6.570 ( 0.994 0.000 4.929) 5.028 6.725 ( -3.243 0.000 2.948) 4.383 6.866 ( 1.499 0.000 -1.152) 1.890 6.986 ( -0.672 0.000 -2.271) 2.368 9.126 ( 4.673 0.000 7.681) 8.991 9.213 ( 3.076 0.000 1.740) 3.534 9.491 ( 1.956 0.000 0.082) 1.958 9.539 ( 1.548 0.000 -4.062) 4.347 9.659 ( 4.014 0.000 3.537) 5.350 9.997 ( 2.486 0.000 -2.518) 3.538 10.069 ( -1.768 0.000 3.228) 3.680 10.250 ( -1.723 0.000 0.275) 1.745 10.627 ( 4.014 0.000 3.581) 5.379 10.789 ( -0.896 0.000 3.742) 3.848 10.861 ( 1.634 0.000 -1.337) 2.111 10.890 ( 0.970 0.000 1.531) 1.813 ======================= Grid point 204 (74/125) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 9.425 0.000 10.403) 14.037 2.912 ( 7.837 0.000 8.040) 11.228 3.146 ( 5.932 0.000 5.531) 8.110 3.167 ( 9.567 -0.000 6.344) 11.479 3.364 ( -2.547 -0.000 -0.110) 2.550 3.481 ( -4.792 0.000 -1.038) 4.904 3.564 ( -2.072 0.000 -4.808) 5.235 3.662 ( -4.765 0.000 -6.477) 8.041 3.933 ( 0.536 0.000 -7.334) 7.353 4.124 ( 0.462 0.000 2.632) 2.672 4.182 ( -5.443 0.000 -3.325) 6.378 4.210 ( -6.899 -0.000 -7.619) 10.278 4.677 ( 2.380 0.000 3.345) 4.105 4.797 ( 1.125 0.000 6.248) 6.348 4.861 ( 2.029 0.000 3.873) 4.372 4.935 ( 1.355 0.000 0.904) 1.629 5.903 ( -2.078 0.000 -2.273) 3.080 5.915 ( -2.107 -0.000 -1.902) 2.839 6.076 ( 0.817 0.000 -5.102) 5.167 6.155 ( -2.384 0.000 -7.347) 7.724 6.596 ( 1.457 0.000 4.752) 4.970 6.668 ( -2.234 0.000 4.185) 4.744 6.892 ( 1.058 0.000 -1.046) 1.488 6.955 ( -1.957 0.000 -1.396) 2.404 9.219 ( 3.892 0.000 5.742) 6.937 9.266 ( 1.700 0.000 2.505) 3.028 9.532 ( 1.834 0.000 0.242) 1.850 9.563 ( 0.607 0.000 -2.230) 2.311 9.764 ( 5.914 0.000 4.337) 7.334 10.006 ( -4.382 0.000 3.865) 5.843 10.057 ( 3.230 0.000 -1.394) 3.518 10.199 ( -3.070 0.000 0.467) 3.105 10.705 ( 3.244 0.000 3.464) 4.746 10.775 ( -0.598 0.000 3.844) 3.890 10.892 ( 1.223 0.000 -0.179) 1.236 10.907 ( 0.519 0.000 1.292) 1.393 ======================= Grid point 206 (75/125) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -2.351 -3.127 9.527) 10.300 2.960 ( 2.351 3.127 9.527) 10.300 3.245 ( -1.674 -2.662 2.604) 4.083 3.245 ( 1.674 2.662 2.604) 4.083 3.370 ( -0.680 -6.528 0.044) 6.564 3.370 ( 0.680 6.528 0.044) 6.564 3.569 ( -1.689 -1.131 -3.659) 4.186 3.569 ( 1.689 1.131 -3.659) 4.186 4.042 ( -7.670 -0.021 -7.910) 11.018 4.042 ( 7.670 0.021 -7.910) 11.018 4.120 ( -0.010 -2.162 -1.572) 2.673 4.120 ( 0.010 2.162 -1.572) 2.673 4.755 ( -3.838 -0.065 5.593) 6.784 4.755 ( 3.838 0.065 5.593) 6.784 4.924 ( -2.381 -0.006 3.021) 3.846 4.924 ( 2.381 0.006 3.021) 3.846 5.886 ( -0.183 -0.498 -2.304) 2.364 5.886 ( 0.183 0.498 -2.304) 2.364 6.106 ( -1.185 -1.203 -6.860) 7.065 6.106 ( 1.185 1.203 -6.860) 7.065 6.629 ( -0.668 -1.775 4.605) 4.980 6.629 ( 0.668 1.775 4.605) 4.980 6.917 ( -1.510 -0.019 -1.003) 1.813 6.917 ( 1.510 0.019 -1.003) 1.813 9.273 ( -1.119 -0.029 3.815) 3.976 9.273 ( 1.119 0.029 3.815) 3.976 9.561 ( -0.450 -0.480 -0.577) 0.875 9.561 ( 0.450 0.480 -0.577) 0.875 9.893 ( -6.192 -0.001 4.403) 7.598 9.893 ( 6.192 0.001 4.403) 7.598 10.129 ( -3.127 -0.493 -0.132) 3.169 10.129 ( 3.127 0.493 -0.132) 3.169 10.755 ( -1.528 -0.003 3.608) 3.919 10.755 ( 1.528 0.003 3.608) 3.919 10.909 ( -0.105 -0.573 0.764) 0.961 10.909 ( 0.105 0.573 0.764) 0.961 ======================= Grid point 243 (76/125) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 0.000 25.163) 25.163 1.701 ( 0.000 0.000 25.868) 25.868 2.564 ( 0.000 0.000 -11.967) 11.967 2.665 ( 0.000 0.000 -19.480) 19.480 3.179 ( 0.000 0.000 29.340) 29.340 3.613 ( 0.000 0.000 5.994) 5.994 3.629 ( 0.000 0.000 3.112) 3.112 3.691 ( 0.000 0.000 9.053) 9.053 4.020 ( 0.000 0.000 8.939) 8.939 4.262 ( 0.000 0.000 -11.398) 11.398 4.315 ( 0.000 0.000 -14.953) 14.953 4.388 ( 0.000 0.000 -8.984) 8.984 4.887 ( 0.000 0.000 -1.438) 1.438 4.924 ( 0.000 0.000 -2.406) 2.406 4.976 ( 0.000 0.000 -1.346) 1.346 4.997 ( 0.000 0.000 -1.724) 1.724 6.051 ( 0.000 0.000 1.218) 1.218 6.054 ( 0.000 0.000 0.953) 0.953 6.165 ( 0.000 0.000 -0.971) 0.971 6.167 ( 0.000 0.000 -1.231) 1.231 6.781 ( 0.000 0.000 2.858) 2.858 6.880 ( 0.000 0.000 -1.676) 1.676 6.916 ( 0.000 0.000 1.438) 1.438 6.943 ( 0.000 0.000 0.161) 0.161 9.103 ( 0.000 0.000 4.320) 4.320 9.132 ( 0.000 0.000 0.475) 0.475 9.245 ( 0.000 0.000 -2.903) 2.903 9.286 ( 0.000 0.000 -6.232) 6.232 9.443 ( 0.000 0.000 3.916) 3.916 9.789 ( 0.000 0.000 -10.358) 10.358 10.148 ( 0.000 0.000 4.482) 4.482 10.328 ( 0.000 0.000 -2.805) 2.805 10.538 ( 0.000 0.000 3.354) 3.354 10.673 ( 0.000 0.000 -3.350) 3.350 10.834 ( 0.000 0.000 0.395) 0.395 10.848 ( 0.000 0.000 0.440) 0.440 ======================= Grid point 244 (77/125) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 9.318 0.000 24.386) 26.106 1.889 ( 17.948 0.000 21.439) 27.960 2.673 ( 10.093 0.000 -10.669) 14.686 2.721 ( 5.275 0.000 -18.562) 19.297 3.232 ( 5.333 0.000 27.163) 27.681 3.529 ( -5.781 0.000 5.959) 8.302 3.634 ( -5.545 0.000 9.759) 11.225 3.638 ( -0.863 0.000 1.996) 2.175 4.065 ( 3.885 0.000 8.478) 9.326 4.189 ( -6.350 0.000 -11.578) 13.205 4.296 ( -2.134 0.000 -14.172) 14.332 4.394 ( 0.315 0.000 -7.943) 7.949 4.875 ( -1.075 0.000 -1.289) 1.678 4.912 ( -1.106 0.000 -2.238) 2.496 4.939 ( -2.644 0.000 -0.479) 2.687 4.992 ( -1.079 0.000 -2.602) 2.817 6.052 ( 0.191 0.000 1.215) 1.230 6.067 ( 0.898 0.000 0.423) 0.992 6.125 ( -2.493 0.000 -0.014) 2.493 6.176 ( -0.400 0.000 -2.413) 2.446 6.765 ( -0.861 0.000 3.973) 4.065 6.899 ( -1.275 0.000 2.215) 2.556 6.902 ( 1.563 0.000 -2.707) 3.126 6.954 ( 0.562 0.000 -0.517) 0.763 9.116 ( 1.185 0.000 4.836) 4.979 9.143 ( 1.030 0.000 0.844) 1.331 9.273 ( 2.488 0.000 -2.935) 3.847 9.299 ( 1.220 0.000 -5.953) 6.077 9.461 ( 1.898 0.000 3.847) 4.290 9.790 ( 0.171 0.000 -9.893) 9.894 10.127 ( -1.945 0.000 4.317) 4.735 10.301 ( -2.629 0.000 -2.759) 3.811 10.556 ( 1.714 0.000 3.287) 3.707 10.691 ( 1.681 0.000 -3.196) 3.611 10.810 ( -1.546 0.000 1.693) 2.293 10.859 ( 0.352 0.000 -0.572) 0.672 ======================= Grid point 245 (78/125) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 15.260 0.000 21.110) 26.048 2.301 ( 19.569 0.000 17.852) 26.488 2.869 ( 8.421 0.000 -15.380) 17.535 2.945 ( 14.892 0.000 -9.247) 17.529 3.382 ( 3.757 0.000 17.527) 17.925 3.394 ( -6.807 0.000 6.449) 9.377 3.485 ( -3.587 0.000 13.467) 13.937 3.605 ( -1.927 0.000 -1.235) 2.289 4.017 ( -9.833 0.000 -11.345) 15.013 4.149 ( 3.308 0.000 6.209) 7.035 4.239 ( -2.795 0.000 -11.630) 11.961 4.382 ( -1.841 0.000 -5.535) 5.833 4.847 ( -1.402 0.000 -0.671) 1.555 4.883 ( -2.612 0.000 0.222) 2.622 4.887 ( -1.064 0.000 -1.508) 1.845 4.956 ( -2.114 0.000 -2.794) 3.504 6.053 ( -0.250 0.000 0.874) 0.909 6.072 ( -2.411 0.000 0.503) 2.463 6.082 ( 0.437 0.000 -0.566) 0.716 6.154 ( -1.535 0.000 -3.376) 3.709 6.762 ( 0.586 0.000 4.751) 4.787 6.871 ( -1.345 0.000 3.124) 3.401 6.929 ( 0.924 0.000 -3.378) 3.502 6.960 ( 0.032 0.000 -1.307) 1.307 9.147 ( 1.557 0.000 5.560) 5.774 9.168 ( 1.200 0.000 1.824) 2.183 9.330 ( 1.616 0.000 -5.211) 5.456 9.332 ( 2.784 0.000 -2.738) 3.905 9.527 ( 4.525 0.000 3.577) 5.768 9.804 ( 1.439 0.000 -8.423) 8.545 10.066 ( -4.027 0.000 3.777) 5.521 10.218 ( -5.301 0.000 -2.390) 5.815 10.605 ( 2.814 0.000 3.159) 4.231 10.736 ( 2.475 0.000 -2.774) 3.717 10.779 ( -1.380 0.000 2.707) 3.038 10.860 ( -0.207 0.000 -1.183) 1.201 ======================= Grid point 246 (79/125) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 17.638 0.000 17.668) 24.965 2.652 ( 14.020 0.000 17.306) 22.273 3.014 ( 2.470 0.000 -2.224) 3.324 3.125 ( -10.712 0.000 8.610) 13.743 3.278 ( 7.656 0.000 -5.565) 9.465 3.295 ( -0.042 0.000 -1.188) 1.189 3.563 ( -2.228 0.000 -5.113) 5.577 3.636 ( 2.416 0.000 1.352) 2.768 3.850 ( -0.220 0.000 -2.697) 2.706 4.162 ( -2.960 0.000 2.504) 3.877 4.206 ( 0.156 0.000 -7.351) 7.353 4.323 ( -3.401 0.000 -3.157) 4.640 4.823 ( -0.843 0.000 1.245) 1.503 4.836 ( -1.783 0.000 1.389) 2.260 4.872 ( -0.282 0.000 -0.806) 0.854 4.913 ( -1.885 0.000 -2.031) 2.771 6.034 ( -1.108 0.000 0.500) 1.216 6.041 ( -0.791 0.000 0.461) 0.916 6.087 ( 0.189 0.000 -1.766) 1.776 6.120 ( -1.524 0.000 -3.580) 3.891 6.785 ( 1.407 0.000 4.510) 4.725 6.843 ( -1.339 0.000 3.662) 3.899 6.942 ( 0.397 0.000 -3.077) 3.102 6.956 ( -0.325 0.000 -1.914) 1.942 9.175 ( 1.047 0.000 5.413) 5.514 9.187 ( 0.529 0.000 3.140) 3.184 9.361 ( 1.303 0.000 -4.310) 4.503 9.375 ( 1.167 0.000 -2.805) 3.039 9.647 ( 6.946 0.000 3.394) 7.731 9.859 ( 3.994 0.000 -5.986) 7.196 9.957 ( -6.511 0.000 3.289) 7.294 10.093 ( -6.403 0.000 -2.264) 6.792 10.665 ( 2.822 0.000 3.087) 4.182 10.751 ( -1.405 0.000 3.074) 3.380 10.787 ( 2.288 0.000 -2.240) 3.202 10.850 ( -0.742 0.000 -1.501) 1.675 ======================= Grid point 247 (80/125) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -14.208 0.000 15.014) 20.671 2.765 ( 14.208 0.000 15.014) 20.671 2.928 ( -5.838 0.000 13.609) 14.808 2.928 ( 5.838 0.000 13.609) 14.808 3.397 ( -2.529 0.000 -9.825) 10.145 3.397 ( 2.529 0.000 -9.825) 10.145 3.527 ( -1.951 0.000 -9.947) 10.137 3.527 ( 1.951 0.000 -9.947) 10.137 4.024 ( -9.108 0.000 3.124) 9.629 4.024 ( 9.108 0.000 3.124) 9.629 4.249 ( -3.470 0.000 -3.940) 5.250 4.249 ( 3.470 0.000 -3.940) 5.250 4.815 ( -0.187 0.000 2.525) 2.532 4.815 ( 0.187 0.000 2.525) 2.532 4.881 ( -0.423 0.000 -1.096) 1.175 4.881 ( 0.423 0.000 -1.096) 1.175 6.027 ( -0.214 0.000 0.354) 0.414 6.027 ( 0.214 0.000 0.354) 0.414 6.096 ( -0.232 0.000 -2.944) 2.953 6.096 ( 0.232 0.000 -2.944) 2.953 6.815 ( -0.688 0.000 4.045) 4.103 6.815 ( 0.688 0.000 4.045) 4.103 6.949 ( -0.142 0.000 -2.482) 2.486 6.949 ( 0.142 0.000 -2.482) 2.486 9.189 ( -0.207 0.000 4.458) 4.463 9.189 ( 0.207 0.000 4.458) 4.463 9.381 ( -0.447 0.000 -3.486) 3.514 9.381 ( 0.447 0.000 -3.486) 3.514 9.804 ( -7.680 0.000 3.338) 8.374 9.804 ( 7.680 0.000 3.338) 8.374 9.964 ( -4.958 0.000 -3.553) 6.100 9.964 ( 4.958 0.000 -3.553) 6.100 10.716 ( -1.925 0.000 3.100) 3.649 10.716 ( 1.925 0.000 3.100) 3.649 10.827 ( -1.006 0.000 -1.799) 2.061 10.827 ( 1.006 0.000 -1.799) 2.061 ======================= Grid point 252 (81/125) ======================= q-point: ( 0.00 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 8.958 23.631) 25.272 1.898 ( 0.000 16.959 21.262) 27.197 2.630 ( 0.000 6.220 -12.100) 13.605 2.733 ( 0.000 6.167 -16.941) 18.028 3.236 ( 0.000 5.692 27.911) 28.485 3.544 ( 0.000 -4.133 3.268) 5.269 3.566 ( 0.000 -4.318 5.763) 7.201 3.790 ( 0.000 4.993 6.758) 8.403 3.971 ( 0.000 -3.978 7.803) 8.758 4.246 ( 0.000 -1.833 -9.039) 9.223 4.345 ( 0.000 2.586 -13.163) 13.415 4.348 ( 0.000 -3.273 -8.727) 9.320 4.890 ( 0.000 -0.279 -1.851) 1.872 4.904 ( 0.000 -1.962 -2.043) 2.832 4.955 ( 0.000 -1.916 -1.475) 2.418 4.966 ( 0.000 -2.655 -1.880) 3.253 6.050 ( 0.000 -0.074 1.124) 1.126 6.055 ( 0.000 0.072 0.909) 0.912 6.154 ( 0.000 -1.286 -1.300) 1.829 6.160 ( 0.000 -0.421 -1.158) 1.232 6.728 ( 0.000 -3.404 4.832) 5.911 6.859 ( 0.000 -1.708 -1.822) 2.497 6.939 ( 0.000 -0.582 0.338) 0.673 6.952 ( 0.000 1.677 -0.861) 1.885 9.094 ( 0.000 0.006 3.184) 3.184 9.163 ( 0.000 1.983 2.618) 3.285 9.251 ( 0.000 0.937 -4.069) 4.176 9.313 ( 0.000 2.161 -4.688) 5.162 9.471 ( 0.000 2.605 3.820) 4.624 9.799 ( 0.000 0.910 -9.579) 9.622 10.150 ( 0.000 0.257 4.099) 4.107 10.316 ( 0.000 -1.007 -2.676) 2.859 10.551 ( 0.000 1.095 3.305) 3.481 10.683 ( 0.000 0.938 -3.275) 3.407 10.839 ( 0.000 0.542 0.686) 0.874 10.855 ( 0.000 0.580 0.578) 0.819 ======================= Grid point 253 (82/125) ======================= q-point: ( 0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 11.695 9.408 20.538) 25.438 2.010 ( 12.132 13.022 20.426) 27.092 2.716 ( 7.399 4.451 -12.593) 15.269 2.799 ( 6.683 6.651 -14.564) 17.350 3.290 ( 5.271 5.601 25.422) 26.560 3.473 ( -5.234 -3.392 4.905) 7.935 3.572 ( -0.598 -3.694 3.766) 5.309 3.734 ( -5.424 4.908 6.607) 9.857 3.995 ( 1.528 -5.488 6.096) 8.344 4.195 ( -4.201 -0.105 -7.771) 8.834 4.319 ( -2.132 1.406 -11.845) 12.118 4.358 ( 0.558 -2.763 -8.147) 8.621 4.868 ( -1.908 -1.179 -1.775) 2.860 4.890 ( -1.402 -1.853 -2.259) 3.241 4.929 ( -1.518 -0.887 -0.550) 1.842 4.971 ( -0.196 -1.813 -2.240) 2.888 6.046 ( -0.307 -0.541 1.155) 1.312 6.062 ( 0.298 -0.490 0.408) 0.704 6.114 ( -2.463 -1.084 -0.268) 2.704 6.167 ( -0.409 -0.741 -2.598) 2.732 6.725 ( -0.061 -2.833 5.107) 5.840 6.868 ( 0.523 -1.903 -1.573) 2.524 6.911 ( -1.299 -0.259 1.124) 1.737 6.975 ( 0.967 1.168 -1.943) 2.465 9.113 ( 1.679 0.308 3.706) 4.080 9.169 ( 0.669 1.797 2.574) 3.209 9.283 ( 2.753 1.226 -3.884) 4.916 9.327 ( 1.273 2.188 -4.342) 5.026 9.492 ( 2.034 2.739 3.792) 5.101 9.802 ( 0.401 1.144 -9.174) 9.254 10.134 ( -1.624 0.566 4.022) 4.375 10.294 ( -2.126 -0.563 -2.597) 3.403 10.570 ( 1.760 1.183 3.258) 3.888 10.701 ( 1.635 0.907 -3.072) 3.596 10.819 ( -1.362 0.855 1.736) 2.367 10.863 ( 0.309 0.418 -0.260) 0.581 ======================= Grid point 254 (83/125) ======================= q-point: ( 0.25 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 13.613 10.766 17.936) 24.958 2.356 ( 17.865 5.260 17.502) 25.557 2.884 ( 8.247 2.059 -12.657) 15.246 3.015 ( 12.969 5.746 -10.421) 17.601 3.343 ( -6.900 -2.014 5.716) 9.183 3.437 ( 5.642 3.626 15.200) 16.614 3.536 ( -3.153 2.168 8.154) 9.007 3.601 ( -3.754 0.948 2.779) 4.766 3.950 ( -6.797 -5.024 -4.328) 9.496 4.149 ( 0.497 -0.470 -0.489) 0.841 4.261 ( -2.989 1.046 -7.981) 8.586 4.360 ( -0.815 -1.826 -5.740) 6.078 4.819 ( -2.570 -2.481 -1.246) 3.783 4.858 ( -1.206 -1.912 -2.011) 3.026 4.901 ( -1.311 1.006 0.553) 1.743 4.957 ( -1.071 -0.136 -1.910) 2.194 6.032 ( -1.232 -1.901 0.931) 2.449 6.051 ( -1.458 -1.436 0.233) 2.059 6.076 ( -0.714 -0.957 -0.844) 1.462 6.145 ( -1.503 -0.818 -3.654) 4.035 6.733 ( 0.890 -2.217 5.208) 5.730 6.863 ( -1.024 -0.950 2.011) 2.449 6.903 ( 0.511 -1.530 -1.539) 2.230 6.983 ( -0.232 0.991 -2.619) 2.810 9.156 ( 2.211 1.083 4.802) 5.397 9.189 ( 1.122 1.783 2.751) 3.464 9.345 ( 2.659 1.664 -3.953) 5.046 9.360 ( 1.937 2.184 -3.280) 4.391 9.560 ( 4.625 2.975 3.650) 6.600 9.822 ( 1.715 1.684 -7.826) 8.187 10.081 ( -3.542 1.326 3.691) 5.285 10.225 ( -4.537 0.604 -2.190) 5.074 10.620 ( 2.864 1.354 3.133) 4.456 10.744 ( 2.302 0.776 -2.394) 3.411 10.792 ( -1.183 1.164 2.500) 3.001 10.865 ( -0.085 0.515 -0.872) 1.017 ======================= Grid point 255 (84/125) ======================= q-point: ( 0.38 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 15.638 7.631 15.576) 23.353 2.689 ( 13.912 3.541 16.191) 21.638 3.011 ( 0.423 0.581 0.595) 0.933 3.172 ( -5.773 3.592 2.557) 7.265 3.287 ( 6.307 1.536 -6.924) 9.491 3.327 ( -3.209 2.464 2.336) 4.672 3.533 ( -0.718 -2.231 -5.343) 5.835 3.646 ( -2.464 0.010 -1.928) 3.129 3.846 ( 3.650 0.092 2.753) 4.573 4.151 ( -1.953 -1.143 -0.031) 2.263 4.212 ( -0.942 0.092 -4.585) 4.682 4.321 ( -2.780 -0.593 -3.702) 4.668 4.783 ( -0.341 -2.659 0.889) 2.825 4.846 ( -0.262 -0.379 -0.489) 0.672 4.870 ( -1.678 0.992 1.393) 2.396 4.929 ( -1.445 1.052 -1.168) 2.135 6.004 ( -1.032 -2.649 0.484) 2.884 6.024 ( -1.154 -1.650 0.309) 2.037 6.066 ( -0.451 -1.765 -2.232) 2.881 6.114 ( -1.249 -0.803 -3.943) 4.213 6.757 ( 1.271 -2.129 4.879) 5.473 6.839 ( -1.170 -0.667 3.516) 3.765 6.919 ( 0.906 -1.495 -2.581) 3.117 6.969 ( -1.026 0.338 -2.613) 2.827 9.195 ( 1.407 1.913 5.239) 5.752 9.210 ( 0.754 2.112 3.422) 4.092 9.384 ( 1.343 2.015 -3.721) 4.440 9.398 ( 1.173 2.082 -2.970) 3.812 9.681 ( 6.869 3.012 3.515) 8.283 9.880 ( 3.847 1.978 -5.432) 6.944 9.983 ( -5.967 2.229 3.359) 7.201 10.116 ( -5.634 1.976 -2.060) 6.316 10.680 ( 2.789 1.427 3.030) 4.359 10.764 ( -1.092 1.153 2.973) 3.370 10.794 ( 1.848 0.778 -1.824) 2.711 10.860 ( -0.432 0.870 -1.273) 1.602 ======================= Grid point 256 (85/125) ======================= q-point: (-0.50 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -0.000 3.081 14.355) 14.682 2.813 ( 0.000 4.240 13.172) 13.837 2.958 ( 0.000 3.604 11.644) 12.189 2.999 ( -0.000 5.534 12.371) 13.552 3.366 ( 0.000 -1.695 -8.889) 9.049 3.394 ( -0.000 -0.871 -9.068) 9.110 3.523 ( -0.000 0.004 -10.148) 10.148 3.526 ( 0.000 -0.564 -8.576) 8.594 3.993 ( -0.000 -1.216 3.700) 3.894 4.058 ( 0.000 1.090 2.737) 2.946 4.248 ( 0.000 -0.428 -4.966) 4.984 4.254 ( -0.000 -0.234 -3.318) 3.326 4.809 ( -0.000 -0.383 2.384) 2.415 4.811 ( 0.000 -0.241 3.404) 3.413 4.858 ( 0.000 -0.449 -0.588) 0.740 4.911 ( 0.000 1.635 -0.926) 1.879 5.995 ( 0.000 -2.836 0.052) 2.836 6.009 ( -0.000 -1.820 0.540) 1.898 6.060 ( 0.000 -2.072 -3.048) 3.685 6.101 ( -0.000 -0.769 -3.817) 3.893 6.774 ( 0.000 -2.340 4.682) 5.234 6.823 ( 0.000 -0.491 3.792) 3.823 6.935 ( -0.000 -0.976 -3.012) 3.166 6.950 ( 0.000 -0.329 -2.248) 2.272 9.210 ( -0.000 2.161 4.344) 4.852 9.217 ( 0.000 2.437 4.734) 5.324 9.403 ( -0.000 2.059 -3.824) 4.343 9.405 ( 0.000 2.112 -2.875) 3.567 9.819 ( -0.000 2.169 2.633) 3.412 9.852 ( 0.000 3.387 4.424) 5.571 9.956 ( 0.000 1.130 -3.446) 3.627 10.024 ( -0.000 3.542 -3.080) 4.694 10.724 ( 0.000 1.161 2.774) 3.007 10.738 ( -0.000 1.630 3.403) 3.773 10.819 ( 0.000 0.223 -1.456) 1.473 10.851 ( 0.000 1.392 -1.619) 2.135 ======================= Grid point 261 (86/125) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 0.000 15.182 20.307) 25.355 2.301 ( 0.000 19.887 15.690) 25.331 2.806 ( 0.000 10.095 -12.231) 15.859 2.890 ( 0.000 7.858 -10.209) 12.883 3.420 ( 0.000 11.392 20.886) 23.791 3.448 ( 0.000 -6.258 7.422) 9.709 3.485 ( 0.000 -1.614 0.224) 1.630 3.774 ( 0.000 -6.528 7.610) 10.027 3.964 ( 0.000 3.680 1.556) 3.996 4.156 ( 0.000 -6.873 -9.482) 11.711 4.295 ( 0.000 -1.377 -4.294) 4.509 4.398 ( 0.000 1.668 -9.120) 9.271 4.841 ( 0.000 -4.309 -1.244) 4.485 4.853 ( 0.000 -2.244 -1.424) 2.658 4.907 ( 0.000 -2.510 -1.369) 2.859 4.914 ( 0.000 -2.310 -1.940) 3.017 6.049 ( 0.000 0.103 0.600) 0.609 6.054 ( 0.000 -0.210 0.845) 0.871 6.117 ( 0.000 -2.081 -1.430) 2.525 6.151 ( 0.000 -0.478 -1.778) 1.841 6.674 ( 0.000 -1.676 5.412) 5.666 6.820 ( 0.000 -1.878 -1.936) 2.698 6.917 ( 0.000 -1.504 0.384) 1.553 6.955 ( 0.000 -1.329 -2.167) 2.542 9.111 ( 0.000 1.449 3.592) 3.874 9.197 ( 0.000 1.141 4.642) 4.780 9.287 ( 0.000 2.375 -4.920) 5.463 9.362 ( 0.000 2.356 -3.197) 3.971 9.539 ( 0.000 3.538 3.604) 5.050 9.822 ( 0.000 1.159 -7.863) 7.948 10.156 ( 0.000 0.224 3.524) 3.531 10.292 ( 0.000 -1.194 -2.294) 2.586 10.576 ( 0.000 1.195 3.526) 3.723 10.710 ( 0.000 1.554 -3.153) 3.515 10.856 ( 0.000 1.022 1.137) 1.529 10.868 ( 0.000 0.633 0.966) 1.155 ======================= Grid point 262 (87/125) ======================= q-point: ( 0.12 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 11.725 13.322 17.825) 25.153 2.358 ( 5.442 18.054 15.843) 24.628 2.850 ( 4.017 7.836 -11.106) 14.173 2.964 ( 6.904 8.309 -10.340) 14.954 3.405 ( -3.093 -2.733 5.344) 6.752 3.450 ( 1.602 4.655 10.611) 11.698 3.504 ( 2.108 1.355 8.697) 9.051 3.769 ( -1.809 -3.112 7.009) 7.879 3.911 ( -3.264 -0.803 1.186) 3.564 4.170 ( -0.945 -2.203 -5.018) 5.561 4.274 ( -0.536 -3.124 -5.702) 6.524 4.362 ( -3.037 0.503 -8.525) 9.064 4.814 ( -2.396 -3.749 -1.331) 4.644 4.848 ( -0.801 -1.376 -2.136) 2.665 4.905 ( 0.202 -1.838 -0.651) 1.961 4.925 ( 0.932 -2.429 -1.288) 2.903 6.032 ( -1.521 -0.769 0.932) 1.942 6.050 ( -0.790 -0.543 0.255) 0.992 6.082 ( -2.414 -1.888 -0.890) 3.191 6.148 ( -0.725 -1.020 -3.141) 3.381 6.677 ( 0.370 -1.582 5.450) 5.687 6.827 ( 0.601 -1.793 -1.871) 2.660 6.891 ( -1.522 -1.586 1.327) 2.568 6.977 ( 1.069 -1.109 -2.863) 3.251 9.135 ( 2.205 1.684 3.908) 4.793 9.206 ( 0.933 1.576 4.190) 4.573 9.321 ( 2.927 2.204 -4.373) 5.705 9.377 ( 1.366 2.426 -2.891) 4.014 9.562 ( 2.305 3.697 3.684) 5.706 9.832 ( 0.982 1.505 -7.547) 7.758 10.147 ( -0.926 0.612 3.565) 3.734 10.281 ( -1.191 -0.739 -2.134) 2.553 10.598 ( 2.065 1.412 3.444) 4.257 10.728 ( 1.620 1.587 -2.847) 3.640 10.842 ( -0.977 1.227 1.856) 2.431 10.875 ( 0.353 0.724 0.359) 0.882 ======================= Grid point 263 (88/125) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 13.694 12.804 12.827) 22.715 2.526 ( 11.015 11.470 16.660) 23.031 2.961 ( 6.226 5.144 -8.157) 11.478 3.150 ( 10.022 6.422 -10.492) 15.868 3.323 ( -4.687 -0.151 2.892) 5.509 3.458 ( 0.027 -1.852 0.192) 1.862 3.589 ( 2.727 1.716 10.223) 10.719 3.657 ( -6.486 4.123 6.314) 9.947 3.856 ( -3.255 -2.847 1.082) 4.457 4.128 ( -1.205 -1.193 -1.553) 2.299 4.250 ( -2.853 -1.876 -4.463) 5.619 4.317 ( -0.955 -2.551 -6.060) 6.644 4.753 ( -2.874 -3.405 -0.510) 4.485 4.835 ( 0.016 0.045 -2.370) 2.370 4.914 ( 0.401 -0.014 0.701) 0.808 4.944 ( 0.589 -1.131 -0.325) 1.316 5.986 ( -2.676 -2.252 0.824) 3.593 6.017 ( -2.004 -1.878 0.120) 2.749 6.045 ( -1.273 -1.722 -1.797) 2.795 6.120 ( -1.774 -1.548 -4.416) 5.005 6.691 ( 0.988 -1.562 5.338) 5.649 6.834 ( -0.419 -1.647 0.776) 1.868 6.871 ( -0.051 -1.638 -0.216) 1.653 6.984 ( -0.458 -0.951 -3.238) 3.405 9.192 ( 3.057 2.292 4.615) 5.992 9.234 ( 1.646 2.349 3.872) 4.819 9.389 ( 3.059 2.197 -3.851) 5.386 9.413 ( 1.968 2.634 -2.338) 4.035 9.636 ( 4.812 3.956 3.824) 7.310 9.866 ( 2.446 2.310 -6.411) 7.240 10.113 ( -2.537 1.517 3.576) 4.639 10.238 ( -2.996 0.517 -1.679) 3.473 10.655 ( 3.172 1.855 3.252) 4.907 10.770 ( 2.178 1.650 -1.822) 3.284 10.823 ( -0.800 1.639 2.320) 2.951 10.881 ( 0.223 1.006 -0.220) 1.054 ======================= Grid point 264 (89/125) ======================= q-point: ( 0.38 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 11.344 11.621 12.117) 20.262 2.796 ( 13.503 6.672 13.555) 20.263 3.059 ( 0.462 4.214 1.937) 4.661 3.245 ( -0.358 3.106 -2.712) 4.139 3.329 ( 5.473 1.604 -8.349) 10.111 3.398 ( -10.475 4.154 6.353) 12.937 3.490 ( 0.878 -1.444 -5.972) 6.207 3.622 ( -5.697 -1.981 -3.353) 6.901 3.852 ( 5.176 -0.308 5.657) 7.674 4.112 ( -1.580 -2.481 -2.147) 3.642 4.196 ( -1.843 -1.748 -2.670) 3.685 4.279 ( -2.816 -3.621 -3.946) 6.051 4.732 ( 1.700 -1.567 2.557) 3.447 4.856 ( 1.658 1.661 -1.061) 2.576 4.899 ( -2.384 1.546 2.522) 3.799 4.949 ( 0.077 0.749 0.230) 0.787 5.939 ( -1.570 -3.184 0.327) 3.565 5.978 ( -1.657 -2.662 0.214) 3.143 6.023 ( -0.804 -2.138 -3.300) 4.013 6.084 ( -1.482 -2.014 -4.849) 5.455 6.714 ( 1.115 -1.733 5.111) 5.511 6.813 ( -1.151 -1.690 3.549) 4.096 6.886 ( 1.213 -1.572 -2.622) 3.289 6.961 ( -1.589 -1.102 -2.974) 3.548 9.248 ( 2.056 3.000 5.022) 6.200 9.266 ( 1.272 3.040 4.046) 5.219 9.435 ( 1.584 2.684 -3.140) 4.424 9.450 ( 1.271 2.671 -2.709) 4.011 9.757 ( 6.668 3.931 3.851) 8.645 9.934 ( 3.959 2.948 -4.302) 6.547 10.036 ( -4.945 2.539 3.619) 6.632 10.160 ( -4.252 1.951 -1.548) 4.928 10.720 ( 2.854 2.176 3.081) 4.730 10.795 ( -0.390 1.811 2.671) 3.251 10.823 ( 1.226 1.881 -0.890) 2.415 10.884 ( 0.004 1.365 -0.720) 1.543 ======================= Grid point 265 (90/125) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 0.000 6.472 12.517) 14.092 2.939 ( 0.000 7.713 10.387) 12.937 3.066 ( 0.000 6.532 8.033) 10.354 3.141 ( -0.000 7.652 8.913) 11.747 3.349 ( 0.000 0.393 -7.034) 7.045 3.368 ( 0.000 -1.519 -6.274) 6.456 3.510 ( -0.000 -0.659 -6.649) 6.681 3.520 ( 0.000 -0.528 -9.023) 9.038 3.963 ( -0.000 -1.994 2.547) 3.235 4.047 ( 0.000 -2.466 1.604) 2.942 4.204 ( 0.000 -4.137 -5.461) 6.851 4.220 ( -0.000 -3.305 -3.969) 5.165 4.806 ( -0.000 0.415 3.151) 3.178 4.822 ( 0.000 1.628 5.301) 5.545 4.881 ( 0.000 2.660 0.013) 2.660 4.948 ( 0.000 1.771 0.007) 1.771 5.923 ( 0.000 -3.568 -0.087) 3.569 5.958 ( 0.000 -2.911 0.418) 2.941 6.015 ( 0.000 -2.212 -4.082) 4.643 6.067 ( -0.000 -2.270 -4.840) 5.346 6.728 ( 0.000 -1.845 5.077) 5.402 6.798 ( 0.000 -1.734 3.831) 4.205 6.909 ( -0.000 -1.428 -3.377) 3.666 6.933 ( 0.000 -1.353 -2.349) 2.711 9.270 ( -0.000 3.316 4.473) 5.568 9.281 ( 0.000 3.342 4.883) 5.917 9.457 ( -0.000 2.847 -3.607) 4.595 9.459 ( 0.000 2.795 -2.341) 3.646 9.882 ( -0.000 3.479 2.797) 4.464 9.927 ( 0.000 3.418 5.083) 6.126 10.003 ( 0.000 3.019 -2.822) 4.132 10.092 ( 0.000 2.653 -2.288) 3.503 10.761 ( 0.000 2.202 2.749) 3.523 10.779 ( -0.000 2.116 3.581) 4.159 10.840 ( 0.000 1.785 -0.879) 1.989 10.883 ( 0.000 1.556 -1.079) 1.894 ======================= Grid point 270 (91/125) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 0.000 16.020 16.566) 23.045 2.679 ( 0.000 16.107 14.021) 21.355 2.994 ( 0.000 0.338 1.428) 1.468 3.006 ( 0.000 7.501 -9.114) 11.804 3.296 ( 0.000 -7.287 8.021) 10.836 3.471 ( 0.000 0.234 -1.806) 1.822 3.653 ( 0.000 -3.164 0.191) 3.170 3.685 ( 0.000 11.546 8.643) 14.422 4.001 ( 0.000 -6.715 -10.481) 12.447 4.012 ( 0.000 -0.205 -1.447) 1.461 4.273 ( 0.000 -1.134 -0.919) 1.460 4.403 ( 0.000 -0.469 -6.010) 6.028 4.753 ( 0.000 -3.275 1.155) 3.473 4.837 ( 0.000 0.431 -0.954) 1.046 4.852 ( 0.000 -3.509 -0.241) 3.518 4.858 ( 0.000 -1.844 -0.267) 1.863 6.046 ( 0.000 -0.483 0.832) 0.962 6.059 ( 0.000 0.831 -0.300) 0.883 6.076 ( 0.000 -1.658 -1.458) 2.208 6.138 ( 0.000 -0.755 -2.627) 2.733 6.655 ( 0.000 -0.288 4.644) 4.653 6.788 ( 0.000 -1.077 -2.033) 2.301 6.884 ( 0.000 -1.411 0.150) 1.419 6.911 ( 0.000 -2.371 -1.938) 3.062 9.146 ( 0.000 1.680 3.815) 4.169 9.209 ( 0.000 0.046 6.867) 6.867 9.337 ( 0.000 2.104 -5.710) 6.085 9.404 ( 0.000 1.611 -2.256) 2.772 9.604 ( 0.000 2.406 3.377) 4.147 9.842 ( 0.000 0.685 -6.240) 6.277 10.158 ( 0.000 -0.069 3.342) 3.342 10.269 ( 0.000 -0.946 -1.636) 1.889 10.599 ( 0.000 0.910 3.949) 4.053 10.742 ( 0.000 1.350 -3.071) 3.354 10.877 ( 0.000 0.825 1.265) 1.511 10.878 ( 0.000 0.269 1.450) 1.474 ======================= Grid point 271 (92/125) ======================= q-point: ( 0.12 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 8.521 14.199 15.181) 22.465 2.708 ( 2.819 14.904 13.770) 20.486 2.993 ( 2.088 3.886 -1.906) 4.805 3.100 ( 6.493 4.002 -6.240) 9.855 3.302 ( 0.512 -5.954 6.549) 8.865 3.446 ( -1.649 -0.773 -1.134) 2.146 3.599 ( -2.799 0.828 1.358) 3.219 3.752 ( 0.938 1.986 1.351) 2.579 3.902 ( -1.082 1.296 0.338) 1.722 4.137 ( 4.042 -0.869 -4.826) 6.355 4.218 ( -3.653 -2.640 -1.446) 4.733 4.347 ( -4.868 -1.098 -6.076) 7.862 4.747 ( -1.238 -1.827 0.855) 2.367 4.840 ( 0.069 -1.192 -1.215) 1.704 4.848 ( 0.408 -2.702 0.523) 2.782 4.878 ( 1.995 -1.276 0.360) 2.396 6.018 ( -2.521 -0.505 0.826) 2.700 6.036 ( -2.813 -1.268 -0.609) 3.145 6.052 ( -1.239 -0.238 -1.151) 1.708 6.126 ( -1.322 -1.063 -3.869) 4.224 6.658 ( 0.378 -0.316 4.775) 4.800 6.800 ( 0.884 -0.763 -1.976) 2.295 6.853 ( -1.628 -1.857 1.284) 2.783 6.940 ( 1.371 -1.939 -2.771) 3.649 9.174 ( 2.542 1.788 3.947) 5.024 9.228 ( 1.806 0.515 6.535) 6.799 9.365 ( 2.497 1.801 -5.307) 6.136 9.421 ( 1.533 1.679 -1.984) 3.017 9.630 ( 2.546 2.513 3.563) 5.049 9.858 ( 1.584 0.944 -5.961) 6.240 10.155 ( -0.325 0.155 3.420) 3.439 10.265 ( -0.425 -0.639 -1.486) 1.672 10.625 ( 2.410 1.047 3.827) 4.642 10.761 ( 1.747 1.428 -2.742) 3.551 10.864 ( -0.670 0.699 2.062) 2.278 10.890 ( 0.607 0.656 0.791) 1.193 ======================= Grid point 272 (93/125) ======================= q-point: ( 0.25 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 12.475 10.479 12.594) 20.593 2.797 ( 5.782 12.595 12.494) 18.659 3.074 ( 5.341 4.827 -1.037) 7.274 3.245 ( 6.261 1.808 -4.756) 8.068 3.313 ( 0.571 -0.834 0.999) 1.421 3.424 ( -0.276 -1.847 -2.535) 3.149 3.549 ( -1.682 -2.009 1.830) 3.196 3.681 ( -5.623 -3.800 -2.103) 7.105 3.903 ( -3.480 6.460 2.852) 7.872 4.113 ( -1.420 -0.333 -0.762) 1.645 4.211 ( -2.140 -1.776 -3.863) 4.760 4.243 ( -3.030 -3.878 -5.102) 7.088 4.708 ( -1.309 -0.280 2.208) 2.582 4.853 ( 1.710 1.032 -2.038) 2.853 4.888 ( 2.856 -2.654 2.451) 4.605 4.921 ( 1.695 -0.553 1.476) 2.314 5.949 ( -3.585 -1.099 0.495) 3.782 5.976 ( -2.865 -1.856 -0.254) 3.423 6.018 ( -1.794 -0.709 -2.390) 3.071 6.086 ( -2.354 -1.582 -5.283) 5.996 6.672 ( 0.869 -0.370 4.862) 4.953 6.803 ( -1.021 -1.161 1.973) 2.507 6.839 ( 0.596 -1.255 -1.415) 1.983 6.951 ( -0.347 -1.779 -3.252) 3.723 9.240 ( 3.561 2.023 4.204) 5.869 9.276 ( 2.551 1.457 5.863) 6.558 9.428 ( 3.142 1.433 -4.452) 5.635 9.461 ( 2.156 1.863 -1.575) 3.255 9.708 ( 4.930 2.664 3.959) 6.861 9.908 ( 3.219 1.534 -4.975) 6.121 10.137 ( -1.692 0.695 3.593) 4.032 10.244 ( -1.788 0.120 -1.125) 2.116 10.690 ( 3.589 1.358 3.565) 5.238 10.807 ( 2.379 1.677 -1.662) 3.352 10.852 ( -0.408 0.974 2.497) 2.711 10.903 ( 0.562 0.935 0.326) 1.138 ======================= Grid point 273 (94/125) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 8.058 8.211 12.637) 17.089 2.963 ( 11.435 9.266 8.343) 16.919 3.179 ( 2.564 6.749 2.943) 7.796 3.284 ( 0.702 0.049 0.483) 0.853 3.355 ( 1.764 1.677 -4.586) 5.191 3.429 ( -1.724 -1.172 -1.885) 2.810 3.510 ( -3.187 2.149 -3.736) 5.361 3.569 ( -3.761 -3.732 -1.137) 5.419 3.828 ( 0.216 -0.763 1.310) 1.531 4.063 ( -3.178 -1.745 -4.947) 6.134 4.133 ( -4.969 -4.145 -4.106) 7.664 4.186 ( -3.561 -4.636 -3.195) 6.662 4.740 ( 4.499 2.221 5.394) 7.366 4.904 ( 2.023 2.346 0.624) 3.160 4.925 ( -0.102 0.615 2.390) 2.470 4.952 ( 1.926 -0.381 2.012) 2.811 5.887 ( -2.139 -1.510 0.109) 2.620 5.922 ( -2.149 -2.437 -0.064) 3.249 5.987 ( -1.050 -1.122 -4.074) 4.354 6.039 ( -1.967 -2.123 -5.655) 6.352 6.692 ( 1.021 -0.380 4.770) 4.893 6.775 ( -1.367 -1.758 3.793) 4.398 6.859 ( 1.190 -0.900 -2.796) 3.169 6.929 ( -1.617 -1.652 -3.068) 3.841 9.307 ( 2.511 2.282 4.457) 5.601 9.323 ( 1.757 2.151 5.225) 5.917 9.483 ( 2.056 1.692 -3.397) 4.316 9.500 ( 1.331 1.934 -1.888) 3.013 9.828 ( 6.428 2.592 4.233) 8.121 9.989 ( 4.442 2.083 -3.247) 5.883 10.077 ( -4.115 1.321 3.858) 5.793 10.189 ( -3.442 0.828 -1.026) 3.686 10.762 ( 3.083 1.648 3.359) 4.848 10.834 ( -0.309 1.638 3.001) 3.433 10.862 ( 1.648 1.613 -0.790) 2.438 10.911 ( 0.168 1.111 -0.130) 1.131 ======================= Grid point 274 (95/125) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 0.000 7.161 10.959) 13.091 3.107 ( -0.000 7.203 8.500) 11.142 3.211 ( -0.000 6.641 5.362) 8.536 3.284 ( 0.000 5.164 5.425) 7.490 3.336 ( 0.000 -1.151 -1.482) 1.877 3.384 ( 0.000 2.675 -5.220) 5.866 3.495 ( -0.000 -1.918 -5.863) 6.168 3.508 ( -0.000 0.298 -4.975) 4.984 3.912 ( -0.000 -2.313 -1.555) 2.787 3.967 ( 0.000 -4.405 -1.067) 4.533 4.092 ( 0.000 -5.557 -5.846) 8.066 4.120 ( -0.000 -5.723 -5.420) 7.882 4.836 ( -0.000 2.289 4.922) 5.428 4.870 ( 0.000 2.253 6.170) 6.569 4.944 ( 0.000 2.731 0.504) 2.777 4.974 ( 0.000 0.600 1.378) 1.503 5.865 ( 0.000 -1.700 -0.235) 1.716 5.897 ( 0.000 -2.671 0.172) 2.676 5.977 ( 0.000 -1.134 -5.051) 5.177 6.015 ( -0.000 -2.477 -5.421) 5.960 6.706 ( 0.000 -0.206 4.791) 4.795 6.758 ( 0.000 -2.060 3.891) 4.402 6.882 ( -0.000 -0.976 -3.285) 3.427 6.900 ( 0.000 -1.616 -2.558) 3.026 9.334 ( -0.000 2.527 4.666) 5.306 9.342 ( 0.000 2.251 4.869) 5.364 9.509 ( -0.000 1.979 -2.994) 3.589 9.510 ( 0.000 1.927 -2.147) 2.885 9.949 ( -0.000 2.714 3.554) 4.472 9.980 ( 0.000 1.500 4.986) 5.207 10.067 ( 0.000 2.850 -2.001) 3.482 10.125 ( -0.000 0.436 -1.600) 1.658 10.806 ( 0.000 1.925 3.118) 3.664 10.818 ( -0.000 1.447 3.625) 3.903 10.884 ( 0.000 2.112 -0.467) 2.163 10.911 ( 0.000 0.954 -0.564) 1.108 ======================= Grid point 279 (96/125) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 0.000 0.000 13.184) 13.184 2.918 ( 0.000 0.000 10.323) 10.323 2.941 ( 0.000 0.000 10.582) 10.582 3.028 ( 0.000 -0.000 8.595) 8.595 3.220 ( 0.000 0.000 -3.008) 3.008 3.480 ( 0.000 0.000 -0.512) 0.512 3.640 ( 0.000 0.000 -8.925) 8.925 3.803 ( 0.000 0.000 -6.063) 6.063 3.940 ( 0.000 0.000 -4.249) 4.249 3.988 ( 0.000 0.000 -0.525) 0.525 4.254 ( 0.000 0.000 -0.579) 0.579 4.400 ( 0.000 0.000 -6.179) 6.179 4.721 ( 0.000 0.000 5.355) 5.355 4.803 ( 0.000 0.000 -0.359) 0.359 4.830 ( 0.000 0.000 -0.067) 0.067 4.853 ( 0.000 0.000 0.311) 0.311 6.040 ( 0.000 0.000 0.794) 0.794 6.057 ( 0.000 0.000 -1.390) 1.390 6.073 ( 0.000 0.000 -0.476) 0.476 6.126 ( 0.000 0.000 -3.333) 3.333 6.654 ( 0.000 0.000 4.109) 4.109 6.777 ( 0.000 0.000 -2.142) 2.142 6.867 ( 0.000 0.000 0.028) 0.028 6.882 ( 0.000 0.000 -1.561) 1.561 9.167 ( 0.000 0.000 2.802) 2.802 9.206 ( 0.000 0.000 8.910) 8.910 9.361 ( 0.000 0.000 -6.221) 6.221 9.422 ( 0.000 0.000 -1.863) 1.863 9.630 ( 0.000 0.000 3.269) 3.269 9.849 ( 0.000 0.000 -5.544) 5.544 10.156 ( 0.000 0.000 3.353) 3.353 10.258 ( 0.000 0.000 -1.277) 1.277 10.609 ( 0.000 0.000 4.148) 4.148 10.758 ( 0.000 0.000 -3.060) 3.060 10.880 ( 0.000 0.000 1.702) 1.702 10.886 ( 0.000 0.000 1.239) 1.239 ======================= Grid point 281 (97/125) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 6.279 0.000 12.638) 14.112 2.892 ( 0.396 0.000 11.071) 11.078 3.029 ( 5.539 0.000 7.801) 9.567 3.082 ( 4.901 -0.000 9.551) 10.735 3.242 ( 2.231 0.000 -4.957) 5.436 3.435 ( -3.185 0.000 -0.525) 3.228 3.628 ( -1.227 0.000 -8.395) 8.484 3.722 ( -7.155 -0.000 -8.477) 11.093 3.969 ( 6.284 0.000 3.506) 7.196 4.121 ( 6.562 0.000 -4.702) 8.073 4.180 ( -6.786 0.000 -0.329) 6.794 4.338 ( -5.559 0.000 -6.354) 8.442 4.755 ( 3.056 -0.000 5.387) 6.194 4.768 ( -2.739 0.000 0.791) 2.851 4.833 ( 0.348 0.000 -1.038) 1.095 4.877 ( 1.996 0.000 0.770) 2.139 6.014 ( -2.352 0.000 0.611) 2.430 6.018 ( -3.344 0.000 -0.772) 3.432 6.055 ( -1.639 0.000 -1.138) 1.995 6.112 ( -1.515 0.000 -4.440) 4.691 6.657 ( 0.347 0.000 4.318) 4.332 6.794 ( 1.436 0.000 -2.381) 2.781 6.829 ( -1.991 0.000 1.608) 2.559 6.917 ( 1.453 0.000 -2.554) 2.938 9.196 ( 2.608 0.000 2.902) 3.902 9.231 ( 2.291 0.000 8.626) 8.925 9.386 ( 2.217 0.000 -5.865) 6.270 9.440 ( 1.606 0.000 -1.637) 2.293 9.657 ( 2.640 0.000 3.498) 4.383 9.868 ( 1.846 0.000 -5.282) 5.595 10.156 ( -0.116 0.000 3.442) 3.444 10.258 ( -0.110 0.000 -1.167) 1.172 10.637 ( 2.539 0.000 4.015) 4.750 10.778 ( 1.849 0.000 -2.774) 3.334 10.870 ( -0.539 0.000 2.256) 2.319 10.898 ( 0.732 0.000 0.893) 1.155 ======================= Grid point 283 (98/125) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 9.523 0.000 11.660) 15.055 2.947 ( 4.843 0.000 9.760) 10.896 3.150 ( 5.817 0.000 4.952) 7.639 3.206 ( 6.068 -0.000 11.389) 12.905 3.321 ( 5.591 0.000 -9.340) 10.886 3.383 ( -1.512 -0.000 -0.800) 1.711 3.572 ( -6.751 0.000 -5.466) 8.687 3.589 ( -2.452 -0.000 -6.734) 7.166 4.000 ( -9.700 0.000 0.117) 9.700 4.094 ( 3.644 0.000 0.673) 3.706 4.192 ( -0.346 0.000 -3.732) 3.748 4.194 ( -7.627 0.000 -7.198) 10.488 4.725 ( -0.292 0.000 3.308) 3.320 4.837 ( 4.466 0.000 5.263) 6.902 4.864 ( 2.934 0.000 -1.828) 3.457 4.920 ( 1.810 0.000 2.193) 2.844 5.940 ( -3.750 0.000 -0.168) 3.753 5.953 ( -3.219 -0.000 0.098) 3.220 6.013 ( -2.153 0.000 -2.576) 3.357 6.066 ( -2.662 0.000 -5.791) 6.373 6.669 ( 0.869 0.000 4.522) 4.604 6.790 ( -1.805 0.000 3.299) 3.760 6.826 ( 1.393 0.000 -2.753) 3.085 6.929 ( -0.294 0.000 -3.124) 3.138 9.264 ( 3.621 0.000 3.215) 4.842 9.291 ( 3.132 0.000 7.691) 8.305 9.443 ( 3.061 0.000 -4.903) 5.781 9.482 ( 2.242 0.000 -1.317) 2.601 9.737 ( 4.960 0.000 3.999) 6.371 9.925 ( 3.549 0.000 -4.368) 5.628 10.143 ( -1.376 0.000 3.660) 3.911 10.245 ( -1.357 0.000 -0.894) 1.625 10.705 ( 3.763 0.000 3.730) 5.299 10.827 ( 2.682 0.000 -2.022) 3.359 10.861 ( -0.367 0.000 3.000) 3.022 10.914 ( 0.712 0.000 0.515) 0.879 ======================= Grid point 285 (99/125) ======================= q-point: ( 0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 8.641 0.000 10.693) 13.748 3.079 ( 7.249 0.000 7.961) 10.766 3.256 ( 3.790 0.000 3.957) 5.480 3.304 ( 3.102 0.000 5.430) 6.254 3.366 ( -0.637 -0.000 -0.102) 0.645 3.437 ( 2.382 0.000 -3.670) 4.376 3.467 ( -2.162 -0.000 -4.107) 4.642 3.532 ( -2.223 0.000 -5.357) 5.800 3.835 ( -3.865 0.000 -1.066) 4.009 4.056 ( -4.726 0.000 -7.892) 9.199 4.067 ( -6.131 -0.000 -4.062) 7.355 4.123 ( -4.982 0.000 -3.062) 5.848 4.780 ( 4.947 0.000 5.914) 7.710 4.915 ( 1.583 0.000 4.730) 4.987 4.938 ( 3.419 0.000 -0.862) 3.526 4.948 ( 1.525 0.000 3.475) 3.795 5.876 ( -2.142 0.000 0.016) 2.142 5.891 ( -2.554 -0.000 -0.254) 2.567 5.978 ( -1.040 0.000 -4.163) 4.291 6.012 ( -2.378 0.000 -6.147) 6.591 6.691 ( 1.229 0.000 4.393) 4.561 6.753 ( -1.725 0.000 4.023) 4.377 6.851 ( 1.101 0.000 -2.884) 3.087 6.908 ( -1.506 0.000 -3.039) 3.392 9.332 ( 2.639 0.000 3.804) 4.629 9.347 ( 1.978 0.000 6.223) 6.530 9.501 ( 2.280 0.000 -3.630) 4.286 9.522 ( 1.348 0.000 -1.539) 2.046 9.856 ( 6.319 0.000 4.402) 7.701 10.012 ( 4.767 0.000 -2.857) 5.557 10.090 ( -3.837 0.000 4.009) 5.549 10.197 ( -3.267 0.000 -0.823) 3.370 10.780 ( 3.209 0.000 3.516) 4.760 10.853 ( -0.558 0.000 3.420) 3.465 10.880 ( 2.253 0.000 -1.099) 2.507 10.924 ( 0.140 0.000 0.148) 0.204 ======================= Grid point 287 (100/125) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -1.298 -2.663 8.984) 9.460 3.157 ( 1.298 2.663 8.984) 9.460 3.305 ( -1.850 -1.637 2.640) 3.615 3.305 ( 1.850 1.637 2.640) 3.615 3.384 ( -1.008 -3.732 0.950) 3.981 3.384 ( 1.008 3.732 0.950) 3.981 3.492 ( -1.592 -1.766 -4.028) 4.678 3.492 ( 1.592 1.766 -4.028) 4.678 3.900 ( -7.588 -0.523 -4.141) 8.660 3.900 ( 7.588 0.523 -4.141) 8.660 4.033 ( -1.933 -0.697 -6.215) 6.546 4.033 ( 1.933 0.697 -6.215) 6.546 4.881 ( -3.130 -0.809 5.826) 6.663 4.881 ( 3.130 0.809 5.826) 6.663 4.977 ( -0.000 -0.417 1.542) 1.598 4.977 ( 0.000 0.417 1.542) 1.598 5.858 ( -0.101 -0.896 -0.146) 0.913 5.858 ( 0.101 0.896 -0.146) 0.913 5.976 ( -0.354 -0.987 -5.486) 5.586 5.976 ( 0.354 0.987 -5.486) 5.586 6.720 ( -0.698 -1.248 4.199) 4.435 6.720 ( 0.698 1.248 4.199) 4.435 6.876 ( -1.211 -0.251 -2.891) 3.144 6.876 ( 1.211 0.251 -2.891) 3.144 9.364 ( -0.243 -0.161 4.798) 4.807 9.364 ( 0.243 0.161 4.798) 4.807 9.531 ( -0.519 -0.000 -2.406) 2.462 9.531 ( 0.519 0.000 -2.406) 2.462 9.987 ( -5.731 -0.225 4.383) 7.218 9.987 ( 5.731 0.225 4.383) 7.218 10.113 ( -3.967 -0.786 -1.466) 4.302 10.113 ( 3.967 0.786 -1.466) 4.302 10.831 ( -1.581 -0.099 3.480) 3.824 10.831 ( 1.581 0.099 3.480) 3.824 10.915 ( -0.665 -0.508 -0.342) 0.904 10.915 ( 0.665 0.508 -0.342) 0.904 ======================= Grid point 324 (101/125) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 0.000 0.000 -22.288) 22.288 2.173 ( 0.000 0.000 22.288) 22.288 2.215 ( 0.000 0.000 -23.546) 23.546 2.215 ( 0.000 0.000 23.546) 23.546 3.672 ( 0.000 0.000 -0.228) 0.228 3.672 ( 0.000 0.000 0.228) 0.228 3.725 ( 0.000 0.000 -15.572) 15.572 3.725 ( 0.000 0.000 15.572) 15.572 4.077 ( 0.000 0.000 -1.552) 1.552 4.077 ( 0.000 0.000 1.552) 1.552 4.203 ( 0.000 0.000 -8.781) 8.781 4.203 ( 0.000 0.000 8.781) 8.781 4.884 ( 0.000 0.000 -1.152) 1.152 4.884 ( 0.000 0.000 1.152) 1.152 4.971 ( 0.000 0.000 -0.648) 0.648 4.971 ( 0.000 0.000 0.648) 0.648 6.064 ( 0.000 0.000 -0.038) 0.038 6.064 ( 0.000 0.000 0.038) 0.038 6.154 ( 0.000 0.000 -0.013) 0.013 6.154 ( 0.000 0.000 0.013) 0.013 6.837 ( 0.000 0.000 -2.429) 2.429 6.837 ( 0.000 0.000 2.429) 2.429 6.939 ( 0.000 0.000 -0.656) 0.656 6.939 ( 0.000 0.000 0.656) 0.656 9.177 ( 0.000 0.000 -3.901) 3.901 9.177 ( 0.000 0.000 3.901) 3.901 9.182 ( 0.000 0.000 -3.261) 3.261 9.182 ( 0.000 0.000 3.261) 3.261 9.579 ( 0.000 0.000 -9.030) 9.030 9.579 ( 0.000 0.000 9.030) 9.030 10.247 ( 0.000 0.000 -4.697) 4.697 10.247 ( 0.000 0.000 4.697) 4.697 10.606 ( 0.000 0.000 -3.209) 3.209 10.606 ( 0.000 0.000 3.209) 3.209 10.846 ( 0.000 0.000 -0.534) 0.534 10.846 ( 0.000 0.000 0.534) 0.534 ======================= Grid point 326 (102/125) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 7.079 0.000 -22.547) 23.632 2.291 ( 7.079 0.000 22.547) 23.632 2.321 ( 13.225 0.000 -19.908) 23.901 2.321 ( 13.225 0.000 19.908) 23.901 3.628 ( -3.865 0.000 -3.055) 4.927 3.628 ( -3.865 0.000 3.055) 4.927 3.724 ( -0.388 0.000 -11.233) 11.239 3.724 ( -0.388 0.000 11.233) 11.239 4.026 ( -4.415 0.000 -3.595) 5.694 4.026 ( -4.415 0.000 3.595) 5.694 4.233 ( 2.326 0.000 -7.775) 8.115 4.233 ( 2.326 0.000 7.775) 8.115 4.873 ( -0.881 0.000 -1.145) 1.445 4.873 ( -0.881 0.000 1.145) 1.445 4.950 ( -1.868 0.000 -1.375) 2.319 4.950 ( -1.868 0.000 1.375) 2.319 6.069 ( 0.293 0.000 -0.357) 0.461 6.069 ( 0.293 0.000 0.357) 0.461 6.137 ( -1.544 0.000 -1.224) 1.970 6.137 ( -1.544 0.000 1.224) 1.970 6.840 ( 0.368 0.000 -3.292) 3.313 6.840 ( 0.368 0.000 3.292) 3.313 6.935 ( -0.325 0.000 -1.312) 1.351 6.935 ( -0.325 0.000 1.312) 1.351 9.193 ( 1.451 0.000 -3.952) 4.210 9.193 ( 1.451 0.000 3.952) 4.210 9.206 ( 2.102 0.000 -3.683) 4.241 9.206 ( 2.102 0.000 3.683) 4.241 9.591 ( 1.220 0.000 -8.512) 8.599 9.591 ( 1.220 0.000 8.512) 8.599 10.223 ( -2.315 0.000 -4.520) 5.078 10.223 ( -2.315 0.000 4.520) 5.078 10.625 ( 1.741 0.000 -3.273) 3.707 10.625 ( 1.741 0.000 3.273) 3.707 10.841 ( -0.487 0.000 -1.204) 1.299 10.841 ( -0.487 0.000 1.204) 1.299 ======================= Grid point 328 (103/125) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 12.028 0.000 -20.005) 23.343 2.493 ( 12.028 0.000 20.005) 23.343 2.655 ( 17.251 0.000 -16.196) 23.662 2.655 ( 17.251 0.000 16.196) 23.662 3.531 ( -5.206 0.000 -5.765) 7.768 3.531 ( -5.206 0.000 5.765) 7.768 3.664 ( -6.928 0.000 -7.416) 10.149 3.664 ( -6.928 0.000 7.416) 10.149 3.954 ( -0.581 0.000 -12.756) 12.770 3.954 ( -0.581 0.000 12.756) 12.770 4.269 ( 0.476 0.000 -5.563) 5.584 4.269 ( 0.476 0.000 5.563) 5.584 4.856 ( -0.567 0.000 -1.313) 1.431 4.856 ( -0.567 0.000 1.313) 1.431 4.906 ( -2.084 0.000 -1.913) 2.829 4.906 ( -2.084 0.000 1.913) 2.829 6.070 ( -0.306 0.000 -0.712) 0.775 6.070 ( -0.306 0.000 0.712) 0.775 6.097 ( -2.073 0.000 -1.996) 2.878 6.097 ( -2.073 0.000 1.996) 2.878 6.852 ( 0.758 0.000 -4.015) 4.086 6.852 ( 0.758 0.000 4.015) 4.086 6.925 ( -0.660 0.000 -2.115) 2.216 6.925 ( -0.660 0.000 2.115) 2.216 9.230 ( 1.944 0.000 -4.113) 4.549 9.230 ( 1.944 0.000 4.113) 4.549 9.255 ( 2.275 0.000 -4.620) 5.150 9.255 ( 2.275 0.000 4.620) 5.150 9.637 ( 3.509 0.000 -7.032) 7.859 9.637 ( 3.509 0.000 7.032) 7.859 10.150 ( -4.688 0.000 -3.946) 6.127 10.150 ( -4.688 0.000 3.946) 6.127 10.673 ( 2.737 0.000 -3.280) 4.272 10.673 ( 2.737 0.000 3.280) 4.272 10.828 ( -0.736 0.000 -1.947) 2.082 10.828 ( -0.736 0.000 1.947) 2.082 ======================= Grid point 330 (104/125) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 14.163 0.000 -16.460) 21.715 2.770 ( 14.163 0.000 16.460) 21.715 2.975 ( 12.299 0.000 -13.879) 18.544 2.975 ( 12.299 0.000 13.879) 18.544 3.419 ( -5.596 0.000 -8.318) 10.026 3.419 ( -5.596 0.000 8.318) 10.026 3.450 ( -12.029 0.000 -13.093) 17.780 3.450 ( -12.029 0.000 13.093) 17.780 4.011 ( 5.141 0.000 -10.968) 12.113 4.011 ( 5.141 0.000 10.968) 12.113 4.238 ( -3.515 0.000 -4.568) 5.764 4.238 ( -3.515 0.000 4.568) 5.764 4.853 ( 0.148 0.000 -1.317) 1.326 4.853 ( 0.148 0.000 1.317) 1.326 4.872 ( -1.111 0.000 -2.004) 2.292 4.872 ( -1.111 0.000 2.004) 2.292 6.058 ( -0.715 0.000 -1.125) 1.333 6.058 ( -0.715 0.000 1.125) 1.333 6.060 ( -1.292 0.000 -2.103) 2.468 6.060 ( -1.292 0.000 2.103) 2.468 6.870 ( 0.921 0.000 -3.797) 3.907 6.870 ( 0.921 0.000 3.797) 3.907 6.909 ( -0.885 0.000 -2.700) 2.842 6.909 ( -0.885 0.000 2.700) 2.842 9.267 ( 1.488 0.000 -4.455) 4.697 9.267 ( 1.488 0.000 4.455) 4.697 9.288 ( 0.761 0.000 -5.201) 5.256 9.288 ( 0.761 0.000 5.201) 5.256 9.740 ( 6.239 0.000 -5.303) 8.188 9.740 ( 6.239 0.000 5.303) 8.188 10.032 ( -6.618 0.000 -3.519) 7.495 10.032 ( -6.618 0.000 3.519) 7.495 10.731 ( 2.670 0.000 -3.089) 4.082 10.731 ( 2.670 0.000 3.089) 4.082 10.809 ( -1.105 0.000 -2.439) 2.678 10.809 ( -1.105 0.000 2.439) 2.678 ======================= Grid point 332 (105/125) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( -9.279 0.000 -8.708) 12.725 3.041 ( 9.279 0.000 -8.708) 12.725 3.041 ( -9.279 0.000 8.708) 12.725 3.041 ( 9.279 0.000 8.708) 12.725 3.311 ( -2.265 0.000 -7.785) 8.107 3.311 ( 2.265 0.000 -7.785) 8.107 3.311 ( -2.265 0.000 7.785) 8.107 3.311 ( 2.265 0.000 7.785) 8.107 4.134 ( -5.673 0.000 -6.402) 8.554 4.134 ( 5.673 0.000 -6.402) 8.554 4.134 ( -5.673 0.000 6.402) 8.554 4.134 ( 5.673 0.000 6.402) 8.554 4.858 ( -0.080 0.000 -1.512) 1.514 4.858 ( 0.080 0.000 -1.512) 1.514 4.858 ( -0.080 0.000 1.512) 1.514 4.858 ( 0.080 0.000 1.512) 1.514 6.048 ( -0.002 0.000 -1.677) 1.677 6.048 ( 0.002 0.000 -1.677) 1.677 6.048 ( -0.002 0.000 1.677) 1.677 6.048 ( 0.002 0.000 1.677) 1.677 6.890 ( -0.465 0.000 -3.230) 3.263 6.890 ( 0.465 0.000 -3.230) 3.263 6.890 ( -0.465 0.000 3.230) 3.263 6.890 ( 0.465 0.000 3.230) 3.263 9.289 ( -0.381 0.000 -4.963) 4.978 9.289 ( 0.381 0.000 -4.963) 4.978 9.289 ( -0.381 0.000 4.963) 4.978 9.289 ( 0.381 0.000 4.963) 4.978 9.884 ( -6.685 0.000 -4.044) 7.813 9.884 ( 6.685 0.000 -4.044) 7.813 9.884 ( -6.685 0.000 4.044) 7.813 9.884 ( 6.685 0.000 4.044) 7.813 10.779 ( -1.517 0.000 -2.790) 3.176 10.779 ( 1.517 0.000 -2.790) 3.176 10.779 ( -1.517 0.000 2.790) 3.176 10.779 ( 1.517 0.000 2.790) 3.176 ======================= Grid point 342 (106/125) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.000 6.472 -14.917) 16.261 2.227 ( 0.000 6.472 14.917) 16.261 2.358 ( 0.000 11.575 -13.927) 18.109 2.358 ( 0.000 11.575 13.927) 18.109 3.596 ( 0.000 -5.021 -0.277) 5.029 3.596 ( 0.000 -5.021 0.277) 5.029 3.771 ( 0.000 2.986 -15.329) 15.617 3.771 ( 0.000 2.986 15.329) 15.617 4.092 ( 0.000 -2.138 -4.584) 5.059 4.092 ( 0.000 -2.138 4.584) 5.059 4.189 ( 0.000 1.445 -4.496) 4.722 4.189 ( 0.000 1.445 4.496) 4.722 4.874 ( 0.000 -1.147 -0.519) 1.259 4.874 ( 0.000 -1.147 0.519) 1.259 4.944 ( 0.000 -2.352 -0.315) 2.373 4.944 ( 0.000 -2.352 0.315) 2.373 6.064 ( 0.000 -0.061 -0.139) 0.152 6.064 ( 0.000 -0.061 0.139) 0.152 6.143 ( 0.000 -1.019 -0.288) 1.059 6.143 ( 0.000 -1.019 0.288) 1.059 6.809 ( 0.000 -2.167 -3.104) 3.786 6.809 ( 0.000 -2.167 3.104) 3.786 6.944 ( 0.000 0.004 -0.168) 0.168 6.944 ( 0.000 0.004 0.168) 0.168 9.161 ( 0.000 0.255 -3.922) 3.930 9.161 ( 0.000 0.255 3.922) 3.930 9.233 ( 0.000 2.983 -3.481) 4.584 9.233 ( 0.000 2.983 3.481) 4.584 9.602 ( 0.000 2.077 -8.584) 8.832 9.602 ( 0.000 2.077 8.584) 8.832 10.241 ( 0.000 -0.461 -4.285) 4.310 10.241 ( 0.000 -0.461 4.285) 4.310 10.618 ( 0.000 1.041 -3.120) 3.289 10.618 ( 0.000 1.041 3.120) 3.289 10.854 ( 0.000 0.752 -0.539) 0.925 10.854 ( 0.000 0.752 0.539) 0.925 ======================= Grid point 344 (107/125) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 8.795 5.612 -12.463) 16.253 2.332 ( 8.795 5.612 12.463) 16.253 2.453 ( 9.454 10.364 -12.375) 18.707 2.453 ( 9.454 10.364 12.375) 18.707 3.560 ( -3.289 -4.716 -2.350) 6.211 3.560 ( -3.289 -4.716 2.350) 6.211 3.766 ( -0.704 2.706 -10.751) 11.109 3.766 ( -0.704 2.706 10.751) 11.109 4.046 ( -4.165 0.355 -3.744) 5.611 4.046 ( -4.165 0.355 3.744) 5.611 4.214 ( 2.228 -0.732 -4.930) 5.459 4.214 ( 2.228 -0.732 4.930) 5.459 4.856 ( -1.598 -1.725 -0.698) 2.453 4.856 ( -1.598 -1.725 0.698) 2.453 4.936 ( -0.652 -1.197 -1.085) 1.742 4.936 ( -0.652 -1.197 1.085) 1.742 6.063 ( -0.201 -0.540 -0.385) 0.693 6.063 ( -0.201 -0.540 0.385) 0.693 6.125 ( -1.643 -1.165 -1.375) 2.438 6.125 ( -1.643 -1.165 1.375) 2.438 6.813 ( 0.426 -2.112 -3.472) 4.086 6.813 ( 0.426 -2.112 3.472) 4.086 6.941 ( -0.287 0.068 -1.513) 1.542 6.941 ( -0.287 0.068 1.513) 1.542 9.183 ( 1.954 0.416 -3.563) 4.085 9.183 ( 1.954 0.416 3.563) 4.085 9.253 ( 1.764 2.978 -3.149) 4.679 9.253 ( 1.764 2.978 3.149) 4.679 9.616 ( 1.393 2.255 -8.071) 8.495 9.616 ( 1.393 2.255 8.071) 8.495 10.222 ( -1.854 -0.034 -4.164) 4.558 10.222 ( -1.854 -0.034 4.164) 4.558 10.637 ( 1.773 1.093 -3.157) 3.782 10.637 ( 1.773 1.093 3.157) 3.782 10.849 ( -0.444 0.802 -1.090) 1.425 10.849 ( -0.444 0.802 1.090) 1.425 ======================= Grid point 346 (108/125) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 11.621 5.197 -15.224) 19.845 2.546 ( 11.621 5.197 15.224) 19.845 2.724 ( 14.992 6.174 -14.248) 21.584 2.724 ( 14.992 6.174 14.248) 21.584 3.474 ( -4.767 -3.899 -5.593) 8.319 3.474 ( -4.767 -3.899 5.593) 8.319 3.700 ( -6.927 2.078 -4.135) 8.331 3.700 ( -6.927 2.078 4.135) 8.331 3.976 ( -0.723 1.640 -11.741) 11.877 3.976 ( -0.723 1.640 11.741) 11.877 4.255 ( 0.926 -1.188 -4.327) 4.581 4.255 ( 0.926 -1.188 4.327) 4.581 4.821 ( -1.294 -2.517 -1.318) 3.122 4.821 ( -1.294 -2.517 1.318) 3.122 4.922 ( -0.705 0.854 -1.456) 1.829 4.922 ( -0.705 0.854 1.456) 1.829 6.051 ( -1.064 -1.655 -0.680) 2.082 6.051 ( -1.064 -1.655 0.680) 2.082 6.084 ( -1.957 -1.283 -2.024) 3.094 6.084 ( -1.957 -1.283 2.024) 3.094 6.826 ( 0.866 -1.984 -3.788) 4.363 6.826 ( 0.866 -1.984 3.788) 4.363 6.930 ( -0.755 0.061 -2.479) 2.592 6.930 ( -0.755 0.061 2.479) 2.592 9.233 ( 2.574 0.940 -2.646) 3.809 9.233 ( 2.574 0.940 2.646) 3.809 9.295 ( 1.926 2.880 -2.701) 4.393 9.295 ( 1.926 2.880 2.701) 4.393 9.667 ( 3.693 2.640 -6.635) 8.039 9.667 ( 3.693 2.640 6.635) 8.039 10.162 ( -4.007 1.030 -3.730) 5.570 10.162 ( -4.007 1.030 3.730) 5.570 10.686 ( 2.747 1.181 -3.101) 4.308 10.686 ( 2.747 1.181 3.101) 4.308 10.838 ( -0.637 0.948 -1.784) 2.118 10.838 ( -0.637 0.948 1.784) 2.118 ======================= Grid point 348 (109/125) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 13.178 3.719 -13.779) 19.426 2.807 ( 13.178 3.719 13.779) 19.426 3.009 ( 11.089 3.071 -13.122) 17.452 3.009 ( 11.089 3.071 13.122) 17.452 3.364 ( -5.887 -2.618 -9.375) 11.376 3.364 ( -5.887 -2.618 9.375) 11.376 3.500 ( -10.712 2.345 -8.950) 14.154 3.500 ( -10.712 2.345 8.950) 14.154 4.023 ( 4.385 0.604 -9.773) 10.729 4.023 ( 4.385 0.604 9.773) 10.729 4.233 ( -3.120 -0.663 -4.271) 5.330 4.233 ( -3.120 -0.663 4.271) 5.330 4.818 ( 1.090 -1.752 -1.951) 2.839 4.818 ( 1.090 -1.752 1.951) 2.839 4.903 ( -1.249 1.763 -1.428) 2.590 4.903 ( -1.249 1.763 1.428) 2.590 6.024 ( -1.170 -2.497 -1.307) 3.052 6.024 ( -1.170 -2.497 1.307) 3.052 6.051 ( -1.213 -1.417 -1.970) 2.713 6.051 ( -1.213 -1.417 1.970) 2.713 6.847 ( 1.066 -1.770 -3.709) 4.246 6.847 ( 1.066 -1.770 3.709) 4.246 6.910 ( -1.077 -0.209 -2.885) 3.087 6.910 ( -1.077 -0.209 2.885) 3.087 9.282 ( 2.008 1.665 -2.335) 3.501 9.282 ( 2.008 1.665 2.335) 3.501 9.321 ( 0.504 2.708 -2.898) 3.998 9.321 ( 0.504 2.708 2.898) 3.998 9.770 ( 6.107 2.766 -4.953) 8.335 9.770 ( 6.107 2.766 4.953) 8.335 10.058 ( -5.934 2.256 -3.454) 7.227 10.058 ( -5.934 2.256 3.454) 7.227 10.743 ( 2.556 1.155 -2.823) 3.979 10.743 ( 2.556 1.155 2.823) 3.979 10.822 ( -0.907 1.205 -2.318) 2.765 10.822 ( -0.907 1.205 2.318) 2.765 ======================= Grid point 350 (110/125) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( -0.000 1.510 -8.260) 8.397 3.051 ( -0.000 1.510 8.260) 8.397 3.067 ( 0.000 2.386 -9.474) 9.770 3.067 ( 0.000 2.386 9.474) 9.770 3.303 ( 0.000 0.293 -8.219) 8.225 3.303 ( 0.000 0.293 8.219) 8.225 3.338 ( -0.000 1.337 -7.913) 8.025 3.338 ( -0.000 1.337 7.913) 8.025 4.115 ( 0.000 -1.035 -7.073) 7.148 4.115 ( 0.000 -1.035 7.073) 7.148 4.154 ( -0.000 0.244 -5.585) 5.590 4.154 ( -0.000 0.244 5.585) 5.590 4.845 ( 0.000 -0.191 -1.007) 1.024 4.845 ( 0.000 -0.191 1.007) 1.024 4.877 ( 0.000 1.255 -2.595) 2.883 4.877 ( 0.000 1.255 2.595) 2.883 6.011 ( 0.000 -2.698 -1.589) 3.131 6.011 ( 0.000 -2.698 1.589) 3.131 6.037 ( 0.000 -1.573 -2.236) 2.734 6.037 ( 0.000 -1.573 2.236) 2.734 6.863 ( 0.000 -1.632 -3.893) 4.221 6.863 ( 0.000 -1.632 3.893) 4.221 6.894 ( 0.000 -0.409 -3.096) 3.123 6.894 ( 0.000 -0.409 3.096) 3.123 9.309 ( 0.000 2.124 -4.926) 5.365 9.309 ( 0.000 2.124 4.926) 5.365 9.320 ( 0.000 2.528 -4.897) 5.511 9.320 ( 0.000 2.528 4.897) 5.511 9.884 ( 0.000 1.658 -3.449) 3.827 9.884 ( 0.000 1.658 3.449) 3.827 9.946 ( 0.000 3.878 -4.335) 5.816 9.946 ( 0.000 3.878 4.335) 5.816 10.779 ( 0.000 0.774 -2.377) 2.500 10.779 ( 0.000 0.774 2.377) 2.500 10.804 ( -0.000 1.684 -2.838) 3.300 10.804 ( 0.000 1.684 2.838) 3.300 ======================= Grid point 360 (111/125) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 0.000 12.488 -16.130) 20.399 2.432 ( 0.000 12.488 16.130) 20.399 2.643 ( 0.000 14.744 -11.239) 18.539 2.643 ( 0.000 14.744 11.239) 18.539 3.500 ( 0.000 -3.965 -0.045) 3.965 3.500 ( 0.000 -3.965 0.045) 3.965 3.835 ( 0.000 2.225 -13.248) 13.434 3.835 ( 0.000 2.225 13.248) 13.434 3.963 ( 0.000 -7.687 -8.099) 11.166 3.963 ( 0.000 -7.687 8.099) 11.166 4.265 ( 0.000 3.654 -1.988) 4.160 4.265 ( 0.000 3.654 1.988) 4.160 4.828 ( 0.000 -2.905 -0.438) 2.937 4.828 ( 0.000 -2.905 0.438) 2.937 4.895 ( 0.000 -2.001 -0.137) 2.006 4.895 ( 0.000 -2.001 0.137) 2.006 6.060 ( 0.000 -0.390 -0.328) 0.510 6.060 ( 0.000 -0.390 0.328) 0.510 6.116 ( 0.000 -1.416 -1.217) 1.867 6.116 ( 0.000 -1.416 1.217) 1.867 6.764 ( 0.000 -1.875 -3.456) 3.932 6.764 ( 0.000 -1.875 3.456) 3.932 6.927 ( 0.000 -1.561 -0.765) 1.738 6.927 ( 0.000 -1.561 0.765) 1.738 9.186 ( 0.000 1.906 -4.298) 4.702 9.186 ( 0.000 1.906 4.298) 4.702 9.293 ( 0.000 2.613 -3.901) 4.695 9.293 ( 0.000 2.613 3.901) 4.695 9.655 ( 0.000 2.760 -7.459) 7.953 9.655 ( 0.000 2.760 7.459) 7.953 10.231 ( 0.000 -0.441 -3.454) 3.482 10.231 ( 0.000 -0.441 3.454) 3.482 10.645 ( 0.000 1.499 -3.166) 3.503 10.645 ( 0.000 1.499 3.166) 3.503 10.874 ( 0.000 1.023 -0.403) 1.099 10.874 ( 0.000 1.023 0.403) 1.099 ======================= Grid point 362 (112/125) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 7.494 11.465 -13.656) 19.341 2.516 ( 7.494 11.465 13.656) 19.341 2.706 ( 6.081 13.034 -11.414) 18.361 2.706 ( 6.081 13.034 11.414) 18.361 3.471 ( -2.578 -3.527 -2.017) 4.812 3.471 ( -2.578 -3.527 2.017) 4.812 3.799 ( -2.781 -1.244 -8.417) 8.952 3.799 ( -2.781 -1.244 8.417) 8.952 4.002 ( 1.908 -2.526 -10.844) 11.296 4.002 ( 1.908 -2.526 10.844) 11.296 4.237 ( -1.765 1.862 -2.280) 3.432 4.237 ( -1.765 1.862 2.280) 3.432 4.809 ( -1.718 -2.262 -1.095) 3.044 4.809 ( -1.718 -2.262 1.095) 3.044 4.906 ( 1.053 -1.576 -0.592) 1.986 4.906 ( 1.053 -1.576 0.592) 1.986 6.048 ( -1.191 -0.897 -0.614) 1.612 6.048 ( -1.191 -0.897 0.614) 1.612 6.093 ( -2.030 -1.734 -1.985) 3.327 6.093 ( -2.030 -1.734 1.985) 3.327 6.770 ( 0.536 -1.792 -3.612) 4.067 6.770 ( 0.536 -1.792 3.612) 4.067 6.927 ( -0.144 -1.446 -2.042) 2.506 6.927 ( -0.144 -1.446 2.042) 2.506 9.211 ( 2.273 2.055 -3.931) 4.984 9.211 ( 2.273 2.055 3.931) 4.984 9.314 ( 1.815 2.662 -3.550) 4.794 9.314 ( 1.815 2.662 3.550) 4.794 9.674 ( 1.834 3.033 -7.005) 7.850 9.674 ( 1.834 3.033 7.005) 7.850 10.222 ( -0.954 0.010 -3.400) 3.531 10.222 ( -0.954 0.010 3.400) 3.531 10.666 ( 1.949 1.630 -3.105) 4.012 10.666 ( 1.949 1.630 3.105) 4.012 10.871 ( -0.262 1.165 -0.828) 1.453 10.871 ( -0.262 1.165 0.828) 1.453 ======================= Grid point 364 (113/125) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 10.264 9.951 -10.290) 17.614 2.707 ( 10.264 9.951 10.290) 17.614 2.883 ( 10.296 8.467 -12.685) 18.401 2.883 ( 10.296 8.467 12.685) 18.401 3.405 ( -3.463 -2.377 -4.316) 6.023 3.405 ( -3.463 -2.377 4.316) 6.023 3.713 ( -6.302 -1.629 -2.497) 6.972 3.713 ( -6.302 -1.629 2.497) 6.972 3.999 ( -1.263 0.444 -10.141) 10.229 3.999 ( -1.263 0.444 10.141) 10.229 4.229 ( 0.380 -1.288 -2.003) 2.412 4.229 ( 0.380 -1.288 2.003) 2.412 4.777 ( -0.612 -1.189 -2.624) 2.945 4.777 ( -0.612 -1.189 2.624) 2.945 4.932 ( 1.147 0.119 -0.843) 1.428 4.932 ( 1.147 0.119 0.843) 1.428 6.010 ( -2.310 -2.045 -1.304) 3.349 6.010 ( -2.310 -2.045 1.304) 3.349 6.046 ( -2.215 -2.253 -2.481) 4.017 6.046 ( -2.215 -2.253 2.481) 4.017 6.786 ( 0.971 -1.697 -3.796) 4.270 6.786 ( 0.971 -1.697 3.796) 4.270 6.917 ( -0.827 -1.333 -3.100) 3.474 6.917 ( -0.827 -1.333 3.100) 3.474 9.271 ( 3.186 2.480 -2.965) 5.010 9.271 ( 3.186 2.480 2.965) 5.010 9.357 ( 1.991 2.817 -2.822) 4.456 9.357 ( 1.991 2.817 2.822) 4.456 9.735 ( 4.145 3.594 -5.780) 7.969 9.735 ( 4.145 3.594 5.780) 7.969 10.186 ( -2.639 1.150 -3.197) 4.302 10.186 ( -2.639 1.150 3.197) 4.302 10.719 ( 2.924 1.915 -2.853) 4.512 10.719 ( 2.924 1.915 2.853) 4.512 10.864 ( -0.350 1.499 -1.455) 2.118 10.864 ( -0.350 1.499 1.455) 2.118 ======================= Grid point 366 (114/125) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 10.907 7.938 -9.197) 16.326 2.929 ( 10.907 7.938 9.197) 16.326 3.091 ( 8.634 4.597 -11.955) 15.446 3.091 ( 8.634 4.597 11.955) 15.446 3.332 ( -3.533 -0.472 -7.344) 8.163 3.332 ( -3.533 -0.472 7.344) 8.163 3.534 ( -10.074 0.963 -5.269) 11.409 3.534 ( -10.074 0.963 5.269) 11.409 4.006 ( 2.326 -2.687 -7.554) 8.348 4.006 ( 2.326 -2.687 7.554) 8.348 4.200 ( -3.590 -2.741 -3.068) 5.460 4.200 ( -3.590 -2.741 3.068) 5.460 4.805 ( 3.163 0.911 -3.605) 4.881 4.805 ( 3.163 0.911 3.605) 4.881 4.940 ( -0.595 1.797 -1.220) 2.252 4.940 ( -0.595 1.797 1.220) 2.252 5.965 ( -1.719 -2.923 -2.084) 3.980 5.965 ( -1.719 -2.923 2.084) 3.980 6.006 ( -1.524 -2.692 -2.523) 3.992 6.006 ( -1.524 -2.692 2.523) 3.992 6.809 ( 1.213 -1.691 -3.957) 4.471 6.809 ( 1.213 -1.691 3.957) 4.471 6.893 ( -1.372 -1.438 -3.373) 3.915 6.893 ( -1.372 -1.438 3.373) 3.915 9.333 ( 2.604 3.001 -2.269) 4.575 9.333 ( 2.604 3.001 2.269) 4.575 9.385 ( 0.554 3.091 -2.498) 4.013 9.385 ( 0.554 3.091 2.498) 4.013 9.843 ( 5.957 3.838 -4.342) 8.311 9.843 ( 5.957 3.838 4.342) 8.311 10.110 ( -4.633 2.453 -3.195) 6.139 10.110 ( -4.633 2.453 3.195) 6.139 10.778 ( 2.529 2.140 -2.413) 4.099 10.778 ( 2.529 2.140 2.413) 4.099 10.855 ( -0.567 1.848 -2.028) 2.802 10.855 ( -0.567 1.848 2.028) 2.802 ======================= Grid point 368 (115/125) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 0.000 4.969 -7.636) 9.111 3.117 ( -0.000 4.969 7.636) 9.111 3.147 ( 0.000 5.143 -8.945) 10.318 3.147 ( 0.000 5.143 8.945) 10.318 3.320 ( 0.000 1.148 -8.289) 8.368 3.320 ( 0.000 1.148 8.289) 8.368 3.365 ( -0.000 1.336 -7.158) 7.281 3.365 ( -0.000 1.336 7.158) 7.281 4.068 ( 0.000 -3.863 -6.764) 7.789 4.068 ( 0.000 -3.863 6.764) 7.789 4.121 ( 0.000 -3.702 -4.907) 6.147 4.121 ( 0.000 -3.702 4.907) 6.147 4.863 ( 0.000 2.017 -1.951) 2.806 4.863 ( 0.000 2.017 1.951) 2.806 4.916 ( 0.000 2.482 -3.267) 4.103 4.916 ( 0.000 2.482 3.267) 4.103 5.946 ( 0.000 -3.226 -2.313) 3.969 5.946 ( 0.000 -3.226 2.313) 3.969 5.989 ( 0.000 -2.861 -2.648) 3.898 5.989 ( 0.000 -2.861 2.648) 3.898 6.827 ( 0.000 -1.663 -4.437) 4.738 6.827 ( 0.000 -1.663 4.437) 4.738 6.873 ( 0.000 -1.582 -3.318) 3.676 6.873 ( 0.000 -1.582 3.318) 3.676 9.368 ( 0.000 3.283 -4.732) 5.759 9.368 ( 0.000 3.283 4.732) 5.759 9.383 ( 0.000 3.211 -4.656) 5.656 9.383 ( 0.000 3.211 4.656) 5.656 9.943 ( 0.000 3.576 -2.978) 4.653 9.943 ( 0.000 3.576 2.978) 4.653 10.025 ( 0.000 3.298 -4.127) 5.283 10.025 ( 0.000 3.298 4.127) 5.283 10.811 ( 0.000 2.192 -1.964) 2.943 10.811 ( 0.000 2.192 1.964) 2.943 10.844 ( 0.000 2.024 -2.596) 3.292 10.844 ( 0.000 2.024 2.596) 3.292 ======================= Grid point 378 (116/125) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 0.000 12.630 -15.240) 19.793 2.706 ( 0.000 12.630 15.240) 19.793 2.924 ( 0.000 11.218 -7.224) 13.343 2.924 ( 0.000 11.218 7.224) 13.343 3.436 ( 0.000 -2.077 -3.553) 4.116 3.436 ( 0.000 -2.077 3.553) 4.116 3.718 ( 0.000 -10.159 -5.467) 11.537 3.718 ( 0.000 -10.159 5.467) 11.537 3.938 ( 0.000 2.268 -4.757) 5.270 3.938 ( 0.000 2.268 4.757) 5.270 4.300 ( 0.000 -0.198 -3.387) 3.393 4.300 ( 0.000 -0.198 3.387) 3.393 4.792 ( 0.000 -0.007 -2.526) 2.526 4.792 ( 0.000 -0.007 2.526) 2.526 4.857 ( 0.000 -1.844 -0.259) 1.862 4.857 ( 0.000 -1.844 0.259) 1.862 6.052 ( 0.000 -0.109 -0.183) 0.213 6.052 ( 0.000 -0.109 0.183) 0.213 6.087 ( 0.000 -1.356 -1.973) 2.394 6.087 ( 0.000 -1.356 1.973) 2.394 6.735 ( 0.000 -0.943 -3.146) 3.285 6.735 ( 0.000 -0.943 3.146) 3.285 6.888 ( 0.000 -1.817 -0.460) 1.875 6.888 ( 0.000 -1.817 0.460) 1.875 9.227 ( 0.000 1.676 -4.632) 4.926 9.227 ( 0.000 1.676 4.632) 4.926 9.337 ( 0.000 1.536 -4.664) 4.910 9.337 ( 0.000 1.536 4.664) 4.910 9.705 ( 0.000 1.836 -6.294) 6.556 9.705 ( 0.000 1.836 6.294) 6.556 10.223 ( 0.000 -0.352 -2.767) 2.789 10.223 ( 0.000 -0.352 2.767) 2.789 10.675 ( 0.000 1.234 -3.421) 3.637 10.675 ( 0.000 1.234 3.421) 3.637 10.892 ( 0.000 0.655 -0.092) 0.662 10.892 ( 0.000 0.655 0.092) 0.662 ======================= Grid point 380 (117/125) ======================= q-point: ( 0.12 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 6.018 11.920 -13.856) 19.243 2.772 ( 6.018 11.920 13.856) 19.243 2.955 ( 3.012 9.940 -8.391) 13.353 2.955 ( 3.012 9.940 8.391) 13.353 3.418 ( -1.600 -1.361 -3.005) 3.666 3.418 ( -1.600 -1.361 3.005) 3.666 3.672 ( -3.077 -9.342 -5.449) 11.244 3.672 ( -3.077 -9.342 5.449) 11.244 4.012 ( 4.691 2.271 -7.159) 8.855 4.012 ( 4.691 2.271 7.159) 8.855 4.245 ( -4.515 -1.176 -3.320) 5.726 4.245 ( -4.515 -1.176 3.320) 5.726 4.787 ( -0.761 0.342 -2.805) 2.926 4.787 ( -0.761 0.342 2.805) 2.926 4.873 ( 1.925 -1.570 -0.940) 2.656 4.873 ( 1.925 -1.570 0.940) 2.656 6.031 ( -1.983 -0.495 -0.638) 2.141 6.031 ( -1.983 -0.495 0.638) 2.141 6.058 ( -2.533 -1.515 -2.435) 3.827 6.058 ( -2.533 -1.515 2.435) 3.827 6.743 ( 0.717 -0.802 -3.407) 3.573 6.743 ( 0.717 -0.802 3.407) 3.573 6.889 ( -0.018 -1.791 -2.134) 2.786 6.889 ( -0.018 -1.791 2.134) 2.786 9.255 ( 2.533 1.784 -4.410) 5.390 9.255 ( 2.533 1.784 4.410) 5.390 9.358 ( 1.892 1.550 -4.426) 5.057 9.358 ( 1.892 1.550 4.426) 5.057 9.729 ( 2.297 2.040 -5.938) 6.685 9.729 ( 2.297 2.040 5.938) 6.685 10.221 ( -0.261 -0.097 -2.754) 2.768 10.221 ( -0.261 -0.097 2.754) 2.768 10.699 ( 2.180 1.330 -3.282) 4.158 10.699 ( 2.180 1.330 3.282) 4.158 10.892 ( 0.037 0.806 -0.655) 1.039 10.892 ( 0.037 0.806 0.655) 1.039 ======================= Grid point 382 (118/125) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 8.880 10.764 -10.171) 17.268 2.933 ( 8.880 10.764 10.171) 17.268 3.049 ( 5.937 6.828 -10.763) 14.061 3.049 ( 5.937 6.828 10.763) 14.061 3.378 ( -2.047 -0.097 -2.975) 3.613 3.378 ( -2.047 -0.097 2.975) 3.613 3.613 ( -2.772 -7.672 -3.623) 8.925 3.613 ( -2.772 -7.672 3.623) 8.925 4.017 ( -4.859 1.807 -6.985) 8.699 4.017 ( -4.859 1.807 6.985) 8.699 4.184 ( -1.094 -3.247 -1.223) 3.638 4.184 ( -1.094 -3.247 1.223) 3.638 4.782 ( 1.302 1.441 -4.247) 4.670 4.782 ( 1.302 1.441 4.247) 4.670 4.928 ( 2.842 -0.464 -0.979) 3.041 4.928 ( 2.842 -0.464 0.979) 3.041 5.975 ( -3.159 -1.106 -1.448) 3.647 5.975 ( -3.159 -1.106 1.448) 3.647 5.999 ( -2.812 -2.026 -2.553) 4.305 5.999 ( -2.812 -2.026 2.553) 4.305 6.761 ( 1.003 -0.634 -3.758) 3.941 6.761 ( 1.003 -0.634 3.758) 3.941 6.882 ( -0.792 -1.757 -3.340) 3.856 6.882 ( -0.792 -1.757 3.340) 3.856 9.322 ( 3.605 2.055 -3.852) 5.662 9.322 ( 3.605 2.055 3.852) 5.662 9.405 ( 2.245 1.668 -3.905) 4.803 9.405 ( 2.245 1.668 3.905) 4.803 9.801 ( 4.587 2.433 -5.013) 7.218 9.801 ( 4.587 2.433 5.013) 7.218 10.204 ( -1.592 0.535 -2.700) 3.179 10.204 ( -1.592 0.535 2.700) 3.179 10.758 ( 3.237 1.568 -2.884) 4.610 10.758 ( 3.237 1.568 2.884) 4.610 10.894 ( 0.046 1.150 -1.278) 1.719 10.894 ( 0.046 1.150 1.278) 1.719 ======================= Grid point 384 (119/125) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 8.496 9.192 -6.978) 14.331 3.117 ( 8.496 9.192 6.978) 14.331 3.186 ( 6.653 4.211 -10.600) 13.204 3.186 ( 6.653 4.211 10.600) 13.204 3.338 ( -1.725 1.102 -4.451) 4.899 3.338 ( -1.725 1.102 4.451) 4.899 3.530 ( -5.959 -2.028 -2.455) 6.757 3.530 ( -5.959 -2.028 2.455) 6.757 3.928 ( -1.411 -3.520 -7.018) 7.977 3.928 ( -1.411 -3.520 7.018) 7.977 4.118 ( -5.535 -4.650 -2.449) 7.633 4.118 ( -5.535 -4.650 2.449) 7.633 4.851 ( 4.590 2.866 -4.491) 7.032 4.851 ( 4.590 2.866 4.491) 7.032 4.970 ( 0.869 0.880 -0.711) 1.427 4.970 ( 0.869 0.880 0.711) 1.427 5.916 ( -2.190 -1.476 -2.508) 3.642 5.916 ( -2.190 -1.476 2.508) 3.642 5.949 ( -1.877 -2.555 -2.739) 4.189 5.949 ( -1.877 -2.555 2.739) 4.189 6.783 ( 1.123 -0.691 -3.950) 4.165 6.783 ( 1.123 -0.691 3.950) 4.165 6.857 ( -1.452 -1.754 -3.651) 4.303 6.857 ( -1.452 -1.754 3.651) 4.303 9.392 ( 2.915 2.317 -3.368) 5.021 9.392 ( 2.915 2.317 3.368) 5.021 9.439 ( 0.893 1.963 -3.483) 4.097 9.439 ( 0.893 1.963 3.483) 4.097 9.913 ( 5.994 2.637 -3.948) 7.647 9.913 ( 5.994 2.637 3.948) 7.647 10.149 ( -3.756 1.211 -2.817) 4.849 10.149 ( -3.756 1.211 2.817) 4.849 10.822 ( 2.772 1.840 -2.367) 4.083 10.822 ( 2.772 1.840 2.367) 4.083 10.892 ( -0.336 1.438 -1.792) 2.322 10.892 ( -0.336 1.438 1.792) 2.322 ======================= Grid point 386 (120/125) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 0.000 6.167 -8.044) 10.135 3.243 ( 0.000 6.167 8.044) 10.135 3.258 ( 0.000 4.595 -5.843) 7.433 3.258 ( 0.000 4.595 5.843) 7.433 3.349 ( 0.000 1.949 -7.250) 7.507 3.349 ( 0.000 1.949 7.250) 7.507 3.398 ( -0.000 1.936 -5.499) 5.830 3.398 ( -0.000 1.936 5.499) 5.830 3.962 ( 0.000 -5.432 -5.602) 7.803 3.962 ( 0.000 -5.432 5.602) 7.803 4.009 ( 0.000 -6.373 -4.499) 7.801 4.009 ( 0.000 -6.373 4.499) 7.801 4.921 ( 0.000 3.101 -2.842) 4.207 4.921 ( 0.000 3.101 2.842) 4.207 4.965 ( 0.000 1.665 -2.571) 3.063 4.965 ( 0.000 1.665 2.571) 3.063 5.893 ( 0.000 -1.622 -2.856) 3.285 5.893 ( 0.000 -1.622 2.856) 3.285 5.928 ( 0.000 -2.731 -2.882) 3.970 5.928 ( 0.000 -2.731 2.882) 3.970 6.801 ( 0.000 -0.657 -4.369) 4.419 6.801 ( 0.000 -0.657 4.369) 4.419 6.835 ( 0.000 -1.879 -3.532) 4.001 6.835 ( 0.000 -1.879 3.532) 4.001 9.431 ( 0.000 2.483 -4.430) 5.078 9.431 ( 0.000 2.483 4.430) 5.078 9.441 ( 0.000 2.078 -4.344) 4.815 9.441 ( 0.000 2.078 4.344) 4.815 10.016 ( 0.000 3.194 -2.882) 4.302 10.016 ( 0.000 3.194 2.882) 4.302 10.071 ( 0.000 0.976 -3.581) 3.711 10.071 ( 0.000 0.976 3.581) 3.711 10.860 ( 0.000 2.205 -1.923) 2.926 10.860 ( 0.000 2.205 1.923) 2.926 10.881 ( 0.000 1.298 -2.305) 2.645 10.881 ( 0.000 1.298 2.305) 2.645 ======================= Grid point 396 (121/125) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 0.000 0.000 -13.229) 13.229 2.867 ( 0.000 0.000 13.229) 13.229 3.050 ( 0.000 0.000 -1.368) 1.368 3.050 ( 0.000 -0.000 1.368) 1.368 3.425 ( 0.000 0.000 -12.122) 12.122 3.425 ( 0.000 0.000 12.122) 12.122 3.572 ( 0.000 0.000 -10.045) 10.045 3.572 ( 0.000 -0.000 10.045) 10.045 3.964 ( 0.000 0.000 -1.906) 1.906 3.964 ( 0.000 0.000 1.906) 1.906 4.290 ( 0.000 0.000 -3.906) 3.906 4.290 ( 0.000 0.000 3.906) 3.906 4.816 ( 0.000 -0.000 -1.097) 1.097 4.816 ( 0.000 0.000 1.097) 1.097 4.819 ( 0.000 0.000 -3.543) 3.543 4.819 ( 0.000 -0.000 3.543) 3.543 6.058 ( 0.000 0.000 -0.882) 0.882 6.058 ( 0.000 -0.000 0.882) 0.882 6.065 ( 0.000 -0.000 -2.020) 2.020 6.065 ( 0.000 0.000 2.020) 2.020 6.725 ( 0.000 0.000 -2.891) 2.891 6.725 ( 0.000 0.000 2.891) 2.891 6.867 ( 0.000 0.000 -0.111) 0.111 6.867 ( 0.000 0.000 0.111) 0.111 9.246 ( 0.000 0.000 -4.764) 4.764 9.246 ( 0.000 0.000 4.764) 4.764 9.354 ( 0.000 0.000 -5.081) 5.081 9.354 ( 0.000 0.000 5.081) 5.081 9.725 ( 0.000 0.000 -5.798) 5.798 9.725 ( 0.000 0.000 5.798) 5.798 10.219 ( 0.000 0.000 -2.513) 2.513 10.219 ( 0.000 0.000 2.513) 2.513 10.689 ( 0.000 0.000 -3.562) 3.562 10.689 ( 0.000 0.000 3.562) 3.562 10.899 ( 0.000 0.000 -0.085) 0.085 10.899 ( 0.000 0.000 0.085) 0.085 ======================= Grid point 400 (122/125) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 5.406 0.000 -12.879) 13.968 2.925 ( 5.406 0.000 12.879) 13.968 3.066 ( 1.681 0.000 -4.551) 4.852 3.066 ( 1.681 -0.000 4.551) 4.852 3.427 ( 0.233 0.000 -11.270) 11.273 3.427 ( 0.233 0.000 11.270) 11.273 3.520 ( -3.856 -0.000 -8.777) 9.586 3.520 ( -3.856 -0.000 8.777) 9.586 4.043 ( 5.879 0.000 -3.492) 6.838 4.043 ( 5.879 0.000 3.492) 6.838 4.222 ( -6.199 0.000 -4.235) 7.507 4.222 ( -6.199 0.000 4.235) 7.507 4.801 ( -1.008 0.000 -1.938) 2.184 4.801 ( -1.008 0.000 1.938) 2.184 4.851 ( 2.806 0.000 -3.292) 4.326 4.851 ( 2.806 -0.000 3.292) 4.326 6.032 ( -2.408 -0.000 -1.064) 2.633 6.032 ( -2.408 0.000 1.064) 2.633 6.035 ( -2.622 -0.000 -2.511) 3.630 6.035 ( -2.622 0.000 2.511) 3.630 6.735 ( 0.872 0.000 -3.307) 3.420 6.735 ( 0.872 0.000 3.307) 3.420 6.868 ( -0.024 0.000 -2.146) 2.146 6.868 ( -0.024 0.000 2.146) 2.146 9.275 ( 2.648 0.000 -4.675) 5.373 9.275 ( 2.648 0.000 4.675) 5.373 9.375 ( 1.907 0.000 -4.949) 5.303 9.375 ( 1.907 0.000 4.949) 5.303 9.751 ( 2.492 0.000 -5.492) 6.031 9.751 ( 2.492 0.000 5.492) 6.031 10.220 ( -0.014 0.000 -2.530) 2.530 10.220 ( -0.014 0.000 2.530) 2.530 10.714 ( 2.275 0.000 -3.401) 4.092 10.714 ( 2.275 0.000 3.401) 4.092 10.901 ( 0.196 0.000 -0.670) 0.698 10.901 ( 0.196 0.000 0.670) 0.698 ======================= Grid point 404 (123/125) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 8.372 0.000 -11.964) 14.603 3.074 ( 8.372 0.000 11.964) 14.603 3.125 ( 4.050 0.000 -6.477) 7.639 3.125 ( 4.050 -0.000 6.477) 7.639 3.436 ( 0.633 0.000 -8.655) 8.678 3.436 ( 0.633 0.000 8.655) 8.678 3.445 ( -3.061 -0.000 -6.016) 6.750 3.445 ( -3.061 -0.000 6.016) 6.750 4.057 ( -8.906 0.000 -5.236) 10.331 4.057 ( -8.906 0.000 5.236) 10.331 4.126 ( 0.556 0.000 -2.739) 2.795 4.126 ( 0.556 -0.000 2.739) 2.795 4.805 ( 2.213 0.000 -3.756) 4.359 4.805 ( 2.213 0.000 3.756) 4.359 4.920 ( 3.487 0.000 -2.281) 4.166 4.920 ( 3.487 0.000 2.281) 4.166 5.970 ( -3.239 0.000 -1.495) 3.567 5.970 ( -3.239 0.000 1.495) 3.567 5.970 ( -3.314 -0.000 -3.179) 4.592 5.970 ( -3.314 0.000 3.179) 4.592 6.756 ( 1.062 0.000 -3.831) 3.976 6.756 ( 1.062 0.000 3.831) 3.976 6.860 ( -0.803 0.000 -3.433) 3.526 6.860 ( -0.803 0.000 3.433) 3.526 9.344 ( 3.765 0.000 -4.464) 5.840 9.344 ( 3.765 0.000 4.464) 5.840 9.423 ( 2.357 0.000 -4.667) 5.228 9.423 ( 2.357 0.000 4.667) 5.228 9.827 ( 4.765 0.000 -4.709) 6.699 9.827 ( 4.765 0.000 4.709) 6.699 10.209 ( -1.228 0.000 -2.536) 2.818 10.209 ( -1.228 0.000 2.536) 2.818 10.775 ( 3.383 0.000 -2.970) 4.502 10.775 ( 3.383 0.000 2.970) 4.502 10.906 ( 0.251 0.000 -1.288) 1.312 10.906 ( 0.251 0.000 1.288) 1.312 ======================= Grid point 408 (124/125) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( 5.733 0.000 -5.929) 8.248 3.230 ( 5.733 -0.000 5.929) 8.248 3.236 ( 6.220 0.000 -9.552) 11.399 3.236 ( 6.220 0.000 9.552) 11.399 3.398 ( -1.462 0.000 -3.073) 3.403 3.398 ( -1.462 0.000 3.073) 3.403 3.450 ( 0.187 -0.000 -3.603) 3.608 3.450 ( 0.187 0.000 3.603) 3.608 3.897 ( -5.007 0.000 -6.370) 8.102 3.897 ( -5.007 0.000 6.370) 8.102 4.054 ( -6.628 0.000 -2.432) 7.060 4.054 ( -6.628 0.000 2.432) 7.060 4.889 ( 4.919 0.000 -4.008) 6.345 4.889 ( 4.919 0.000 4.008) 6.345 4.977 ( 1.556 0.000 -0.926) 1.810 4.977 ( 1.556 0.000 0.926) 1.810 5.910 ( -2.208 0.000 -2.168) 3.095 5.910 ( -2.208 -0.000 2.168) 3.095 5.911 ( -2.191 -0.000 -3.375) 4.024 5.911 ( -2.191 0.000 3.375) 4.024 6.778 ( 1.094 0.000 -3.944) 4.093 6.778 ( 1.094 0.000 3.944) 4.093 6.835 ( -1.494 0.000 -3.857) 4.136 6.835 ( -1.494 0.000 3.857) 4.136 9.418 ( 3.007 0.000 -4.271) 5.223 9.418 ( 3.007 0.000 4.271) 5.223 9.460 ( 1.066 0.000 -4.408) 4.535 9.460 ( 1.066 0.000 4.408) 4.535 9.942 ( 6.065 0.000 -3.827) 7.171 9.942 ( 6.065 0.000 3.827) 7.171 10.161 ( -3.509 0.000 -2.651) 4.398 10.161 ( -3.509 0.000 2.651) 4.398 10.843 ( 2.930 0.000 -2.462) 3.827 10.843 ( 2.930 0.000 2.462) 3.827 10.908 ( -0.254 0.000 -1.756) 1.775 10.908 ( -0.254 0.000 1.756) 1.775 ======================= Grid point 412 (125/125) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( -0.218 -0.026 -4.158) 4.164 3.307 ( 0.218 0.026 -4.158) 4.164 3.307 ( -0.218 -0.026 4.158) 4.164 3.307 ( 0.218 0.026 4.158) 4.164 3.410 ( -1.953 -1.738 -2.612) 3.696 3.410 ( 1.953 1.738 -2.612) 3.696 3.410 ( -1.953 -1.738 2.612) 3.696 3.410 ( 1.953 1.738 2.612) 3.696 3.908 ( -4.891 -0.810 -4.479) 6.681 3.908 ( 4.891 0.810 -4.479) 6.681 3.908 ( -4.891 -0.810 4.479) 6.681 3.908 ( 4.891 0.810 4.479) 6.681 4.970 ( -1.594 -0.908 -2.400) 3.020 4.970 ( 1.594 0.908 -2.400) 3.020 4.970 ( -1.594 -0.908 2.400) 3.020 4.970 ( 1.594 0.908 2.400) 3.020 5.887 ( -0.000 -1.036 -2.951) 3.127 5.887 ( 0.000 1.036 -2.951) 3.127 5.887 ( -0.000 -1.036 2.951) 3.127 5.887 ( 0.000 1.036 2.951) 3.127 6.804 ( -0.870 -0.724 -3.893) 4.054 6.804 ( 0.870 0.724 -3.893) 4.054 6.804 ( -0.870 -0.724 3.893) 4.054 6.804 ( 0.870 0.724 3.893) 4.054 9.461 ( -0.962 -0.111 -4.244) 4.353 9.461 ( 0.962 0.111 -4.244) 4.353 9.461 ( -0.962 -0.111 4.244) 4.353 9.461 ( 0.962 0.111 4.244) 4.353 10.066 ( -4.946 -0.638 -3.100) 5.872 10.066 ( 4.946 0.638 -3.100) 5.872 10.066 ( -4.946 -0.638 3.100) 5.872 10.066 ( 4.946 0.638 3.100) 5.872 10.890 ( -1.255 -0.303 -2.079) 2.448 10.890 ( 1.255 0.303 -2.079) 2.448 10.890 ( -1.255 -0.303 2.079) 2.448 10.890 ( 1.255 0.303 2.079) 2.448 =================== 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 3/18432 10.0 6816.839 7608.833 8038.907 0.000 0.000 0.000 3/18432 20.0 2526.391 2669.562 2726.245 0.000 0.000 0.000 3/18432 30.0 1021.569 1015.812 1071.131 0.000 0.000 0.000 3/18432 40.0 538.914 516.237 572.012 0.000 0.000 0.000 3/18432 50.0 340.971 319.006 366.098 0.000 0.000 0.000 3/18432 60.0 240.308 221.480 259.956 0.000 0.000 0.000 3/18432 70.0 181.567 165.743 197.432 0.000 0.000 0.000 3/18432 80.0 144.055 130.681 157.261 0.000 0.000 0.000 3/18432 90.0 118.516 107.061 129.789 0.000 0.000 0.000 3/18432 100.0 100.260 90.301 110.080 0.000 0.000 0.000 3/18432 110.0 86.694 77.912 95.390 0.000 0.000 0.000 3/18432 120.0 76.288 68.443 84.090 0.000 0.000 0.000 3/18432 130.0 68.091 61.005 75.168 0.000 0.000 0.000 3/18432 140.0 61.488 55.026 67.965 0.000 0.000 0.000 3/18432 150.0 56.065 50.125 62.038 0.000 0.000 0.000 3/18432 160.0 51.539 46.039 57.083 0.000 0.000 0.000 3/18432 170.0 47.706 42.583 52.881 0.000 0.000 0.000 3/18432 180.0 44.419 39.623 49.273 0.000 0.000 0.000 3/18432 190.0 41.571 37.060 46.142 0.000 0.000 0.000 3/18432 200.0 39.079 34.819 43.400 0.000 0.000 0.000 3/18432 210.0 36.879 32.843 40.977 0.000 0.000 0.000 3/18432 220.0 34.923 31.087 38.821 0.000 0.000 0.000 3/18432 230.0 33.172 29.516 36.889 0.000 0.000 0.000 3/18432 240.0 31.595 28.101 35.147 0.000 0.000 0.000 3/18432 250.0 30.167 26.821 33.569 0.000 0.000 0.000 3/18432 260.0 28.867 25.657 32.132 0.000 0.000 0.000 3/18432 270.0 27.679 24.593 30.818 0.000 0.000 0.000 3/18432 280.0 26.589 23.617 29.611 0.000 0.000 0.000 3/18432 290.0 25.584 22.719 28.498 0.000 0.000 0.000 3/18432 300.0 24.655 21.888 27.469 0.000 0.000 0.000 3/18432 310.0 23.793 21.118 26.514 0.000 0.000 0.000 3/18432 320.0 22.992 20.402 25.626 0.000 0.000 0.000 3/18432 330.0 22.245 19.734 24.797 0.000 0.000 0.000 3/18432 340.0 21.546 19.110 24.021 0.000 0.000 0.000 3/18432 350.0 20.891 18.526 23.295 0.000 0.000 0.000 3/18432 360.0 20.276 17.977 22.612 0.000 0.000 0.000 3/18432 370.0 19.697 17.461 21.969 0.000 0.000 0.000 3/18432 380.0 19.152 16.974 21.363 0.000 0.000 0.000 3/18432 390.0 18.636 16.515 20.790 0.000 0.000 0.000 3/18432 400.0 18.148 16.080 20.248 0.000 0.000 0.000 3/18432 410.0 17.686 15.668 19.734 0.000 0.000 0.000 3/18432 420.0 17.247 15.277 19.246 0.000 0.000 0.000 3/18432 430.0 16.831 14.906 18.783 0.000 0.000 0.000 3/18432 440.0 16.434 14.552 18.341 0.000 0.000 0.000 3/18432 450.0 16.056 14.216 17.921 0.000 0.000 0.000 3/18432 460.0 15.695 13.895 17.519 0.000 0.000 0.000 3/18432 470.0 15.350 13.588 17.136 0.000 0.000 0.000 3/18432 480.0 15.021 13.295 16.769 0.000 0.000 0.000 3/18432 490.0 14.706 13.015 16.419 0.000 0.000 0.000 3/18432 500.0 14.404 12.746 16.082 0.000 0.000 0.000 3/18432 510.0 14.114 12.488 15.760 0.000 0.000 0.000 3/18432 520.0 13.836 12.241 15.450 0.000 0.000 0.000 3/18432 530.0 13.569 12.004 15.153 0.000 0.000 0.000 3/18432 540.0 13.312 11.775 14.867 0.000 0.000 0.000 3/18432 550.0 13.065 11.556 14.591 0.000 0.000 0.000 3/18432 560.0 12.827 11.344 14.326 0.000 0.000 0.000 3/18432 570.0 12.598 11.141 14.071 0.000 0.000 0.000 3/18432 580.0 12.376 10.944 13.824 0.000 0.000 0.000 3/18432 590.0 12.163 10.755 13.587 0.000 0.000 0.000 3/18432 600.0 11.957 10.572 13.357 0.000 0.000 0.000 3/18432 610.0 11.758 10.395 13.135 0.000 0.000 0.000 3/18432 620.0 11.565 10.224 12.921 0.000 0.000 0.000 3/18432 630.0 11.379 10.059 12.713 0.000 0.000 0.000 3/18432 640.0 11.199 9.899 12.512 0.000 0.000 0.000 3/18432 650.0 11.025 9.744 12.318 0.000 0.000 0.000 3/18432 660.0 10.855 9.594 12.129 0.000 0.000 0.000 3/18432 670.0 10.691 9.448 11.946 0.000 0.000 0.000 3/18432 680.0 10.532 9.307 11.769 0.000 0.000 0.000 3/18432 690.0 10.378 9.170 11.597 0.000 0.000 0.000 3/18432 700.0 10.228 9.037 11.430 0.000 0.000 0.000 3/18432 710.0 10.083 8.908 11.268 0.000 0.000 0.000 3/18432 720.0 9.942 8.783 11.110 0.000 0.000 0.000 3/18432 730.0 9.804 8.661 10.957 0.000 0.000 0.000 3/18432 740.0 9.671 8.543 10.808 0.000 0.000 0.000 3/18432 750.0 9.541 8.427 10.663 0.000 0.000 0.000 3/18432 760.0 9.414 8.315 10.522 0.000 0.000 0.000 3/18432 770.0 9.291 8.206 10.384 0.000 0.000 0.000 3/18432 780.0 9.171 8.100 10.250 0.000 0.000 0.000 3/18432 790.0 9.054 7.996 10.120 0.000 0.000 0.000 3/18432 800.0 8.940 7.895 9.993 0.000 0.000 0.000 3/18432 810.0 8.829 7.797 9.869 0.000 0.000 0.000 3/18432 820.0 8.721 7.701 9.748 0.000 0.000 0.000 3/18432 830.0 8.615 7.607 9.630 0.000 0.000 0.000 3/18432 840.0 8.512 7.516 9.515 0.000 0.000 0.000 3/18432 850.0 8.412 7.427 9.403 0.000 0.000 0.000 3/18432 860.0 8.313 7.340 9.293 0.000 0.000 0.000 3/18432 870.0 8.217 7.255 9.186 0.000 0.000 0.000 3/18432 880.0 8.123 7.172 9.081 0.000 0.000 0.000 3/18432 890.0 8.032 7.090 8.979 0.000 0.000 0.000 3/18432 900.0 7.942 7.011 8.879 0.000 0.000 0.000 3/18432 910.0 7.855 6.934 8.781 0.000 0.000 0.000 3/18432 920.0 7.769 6.858 8.686 0.000 0.000 0.000 3/18432 930.0 7.685 6.783 8.592 0.000 0.000 0.000 3/18432 940.0 7.603 6.711 8.501 0.000 0.000 0.000 3/18432 950.0 7.523 6.640 8.411 0.000 0.000 0.000 3/18432 960.0 7.444 6.570 8.323 0.000 0.000 0.000 3/18432 970.0 7.367 6.502 8.237 0.000 0.000 0.000 3/18432 980.0 7.292 6.435 8.153 0.000 0.000 0.000 3/18432 990.0 7.218 6.370 8.071 0.000 0.000 0.000 3/18432 1000.0 7.146 6.306 7.990 0.000 0.000 0.000 3/18432 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:18:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|