----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:12:18]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.894187410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.046752060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.858464030000000 Atomic positions (fractional): *1 F 0.16237392063190 0.43245638661149 0.33902217316605 18.998 2 F 0.33762607936810 0.56754361338851 0.83902217316605 18.998 3 F 0.66237392063190 0.06754361338851 0.16097782683395 18.998 4 F 0.83762607936810 0.93245638661149 0.66097782683395 18.998 *5 F 0.53527558375247 0.25000000000000 0.63131754027197 18.998 6 F 0.96472441624753 0.75000000000000 0.13131754027197 18.998 7 F 0.03527558375247 0.25000000000000 0.86868245972803 18.998 8 F 0.46472441624753 0.75000000000000 0.36868245972803 18.998 9 F 0.16237392063190 0.06754361338851 0.33902217316605 18.998 10 F 0.33762607936810 0.93245638661149 0.83902217316605 18.998 11 F 0.66237392063190 0.43245638661149 0.16097782683395 18.998 12 F 0.83762607936810 0.56754361338851 0.66097782683395 18.998 *13 Tl 0.62918535714618 0.75000000000000 0.96062902430685 204.383 14 Tl 0.87081464285382 0.25000000000000 0.46062902430685 204.383 15 Tl 0.12918535714619 0.75000000000000 0.53937097569315 204.383 16 Tl 0.37081464285382 0.25000000000000 0.03937097569315 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.894187410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.046752060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.858464030000000 Atomic positions (fractional): *1 F 0.16237392063190 0.43245638661149 0.33902217316605 18.998 > 1 2 F 0.33762607936810 0.56754361338851 0.83902217316605 18.998 > 2 3 F 0.66237392063190 0.06754361338851 0.16097782683395 18.998 > 3 4 F 0.83762607936810 0.93245638661149 0.66097782683395 18.998 > 4 *5 F 0.53527558375247 0.25000000000000 0.63131754027197 18.998 > 5 6 F 0.96472441624753 0.75000000000000 0.13131754027197 18.998 > 6 7 F 0.03527558375247 0.25000000000000 0.86868245972803 18.998 > 7 8 F 0.46472441624753 0.75000000000000 0.36868245972803 18.998 > 8 9 F 0.16237392063190 0.06754361338851 0.33902217316605 18.998 > 9 10 F 0.33762607936810 0.93245638661149 0.83902217316605 18.998 > 10 11 F 0.66237392063190 0.43245638661149 0.16097782683395 18.998 > 11 12 F 0.83762607936810 0.56754361338851 0.66097782683395 18.998 > 12 *13 Tl 0.62918535714618 0.75000000000000 0.96062902430685 204.383 > 13 14 Tl 0.87081464285382 0.25000000000000 0.46062902430685 204.383 > 14 15 Tl 0.12918535714619 0.75000000000000 0.53937097569315 204.383 > 15 16 Tl 0.37081464285382 0.25000000000000 0.03937097569315 204.383 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.788374820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.093504120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.716928060000001 Atomic positions (fractional): *1 F 0.08118696031595 0.21622819330574 0.16951108658302 18.998 > 1 2 F 0.58118696031595 0.21622819330574 0.16951108658302 18.998 > 1 3 F 0.08118696031595 0.71622819330575 0.16951108658302 18.998 > 1 4 F 0.58118696031595 0.71622819330575 0.16951108658302 18.998 > 1 5 F 0.08118696031595 0.21622819330574 0.66951108658302 18.998 > 1 6 F 0.58118696031595 0.21622819330574 0.66951108658302 18.998 > 1 7 F 0.08118696031595 0.71622819330575 0.66951108658302 18.998 > 1 8 F 0.58118696031595 0.71622819330575 0.66951108658302 18.998 > 1 9 F 0.16881303968405 0.28377180669426 0.41951108658302 18.998 > 2 10 F 0.66881303968405 0.28377180669426 0.41951108658302 18.998 > 2 11 F 0.16881303968405 0.78377180669425 0.41951108658302 18.998 > 2 12 F 0.66881303968405 0.78377180669425 0.41951108658302 18.998 > 2 13 F 0.16881303968405 0.28377180669426 0.91951108658302 18.998 > 2 14 F 0.66881303968405 0.28377180669426 0.91951108658302 18.998 > 2 15 F 0.16881303968405 0.78377180669425 0.91951108658302 18.998 > 2 16 F 0.66881303968405 0.78377180669425 0.91951108658302 18.998 > 2 17 F 0.33118696031595 0.03377180669426 0.08048891341698 18.998 > 3 18 F 0.83118696031595 0.03377180669426 0.08048891341698 18.998 > 3 19 F 0.33118696031595 0.53377180669425 0.08048891341698 18.998 > 3 20 F 0.83118696031595 0.53377180669425 0.08048891341698 18.998 > 3 21 F 0.33118696031595 0.03377180669426 0.58048891341698 18.998 > 3 22 F 0.83118696031595 0.03377180669426 0.58048891341698 18.998 > 3 23 F 0.33118696031595 0.53377180669425 0.58048891341698 18.998 > 3 24 F 0.83118696031595 0.53377180669425 0.58048891341698 18.998 > 3 25 F 0.41881303968405 0.46622819330574 0.33048891341698 18.998 > 4 26 F 0.91881303968405 0.46622819330574 0.33048891341698 18.998 > 4 27 F 0.41881303968405 0.96622819330575 0.33048891341698 18.998 > 4 28 F 0.91881303968405 0.96622819330575 0.33048891341698 18.998 > 4 29 F 0.41881303968405 0.46622819330574 0.83048891341698 18.998 > 4 30 F 0.91881303968405 0.46622819330574 0.83048891341698 18.998 > 4 31 F 0.41881303968405 0.96622819330575 0.83048891341698 18.998 > 4 32 F 0.91881303968405 0.96622819330575 0.83048891341698 18.998 > 4 *33 F 0.26763779187623 0.12500000000000 0.31565877013598 18.998 > 5 34 F 0.76763779187623 0.12500000000000 0.31565877013598 18.998 > 5 35 F 0.26763779187623 0.62500000000000 0.31565877013598 18.998 > 5 36 F 0.76763779187623 0.62500000000000 0.31565877013598 18.998 > 5 37 F 0.26763779187623 0.12500000000000 0.81565877013598 18.998 > 5 38 F 0.76763779187623 0.12500000000000 0.81565877013598 18.998 > 5 39 F 0.26763779187623 0.62500000000000 0.81565877013598 18.998 > 5 40 F 0.76763779187623 0.62500000000000 0.81565877013598 18.998 > 5 41 F 0.48236220812377 0.37500000000000 0.06565877013598 18.998 > 6 42 F 0.98236220812377 0.37500000000000 0.06565877013598 18.998 > 6 43 F 0.48236220812377 0.87500000000000 0.06565877013598 18.998 > 6 44 F 0.98236220812377 0.87500000000000 0.06565877013598 18.998 > 6 45 F 0.48236220812377 0.37500000000000 0.56565877013598 18.998 > 6 46 F 0.98236220812377 0.37500000000000 0.56565877013598 18.998 > 6 47 F 0.48236220812377 0.87500000000000 0.56565877013598 18.998 > 6 48 F 0.98236220812377 0.87500000000000 0.56565877013598 18.998 > 6 49 F 0.01763779187623 0.12500000000000 0.43434122986402 18.998 > 7 50 F 0.51763779187623 0.12500000000000 0.43434122986402 18.998 > 7 51 F 0.01763779187623 0.62500000000000 0.43434122986402 18.998 > 7 52 F 0.51763779187623 0.62500000000000 0.43434122986402 18.998 > 7 53 F 0.01763779187623 0.12500000000000 0.93434122986402 18.998 > 7 54 F 0.51763779187623 0.12500000000000 0.93434122986402 18.998 > 7 55 F 0.01763779187623 0.62500000000000 0.93434122986402 18.998 > 7 56 F 0.51763779187623 0.62500000000000 0.93434122986402 18.998 > 7 57 F 0.23236220812377 0.37500000000000 0.18434122986402 18.998 > 8 58 F 0.73236220812377 0.37500000000000 0.18434122986402 18.998 > 8 59 F 0.23236220812377 0.87500000000000 0.18434122986402 18.998 > 8 60 F 0.73236220812377 0.87500000000000 0.18434122986402 18.998 > 8 61 F 0.23236220812377 0.37500000000000 0.68434122986402 18.998 > 8 62 F 0.73236220812377 0.37500000000000 0.68434122986402 18.998 > 8 63 F 0.23236220812377 0.87500000000000 0.68434122986402 18.998 > 8 64 F 0.73236220812377 0.87500000000000 0.68434122986402 18.998 > 8 65 F 0.08118696031595 0.03377180669426 0.16951108658302 18.998 > 9 66 F 0.58118696031595 0.03377180669426 0.16951108658302 18.998 > 9 67 F 0.08118696031595 0.53377180669425 0.16951108658302 18.998 > 9 68 F 0.58118696031595 0.53377180669425 0.16951108658302 18.998 > 9 69 F 0.08118696031595 0.03377180669426 0.66951108658302 18.998 > 9 70 F 0.58118696031595 0.03377180669426 0.66951108658302 18.998 > 9 71 F 0.08118696031595 0.53377180669425 0.66951108658302 18.998 > 9 72 F 0.58118696031595 0.53377180669425 0.66951108658302 18.998 > 9 73 F 0.16881303968405 0.46622819330574 0.41951108658302 18.998 > 10 74 F 0.66881303968405 0.46622819330574 0.41951108658302 18.998 > 10 75 F 0.16881303968405 0.96622819330575 0.41951108658302 18.998 > 10 76 F 0.66881303968405 0.96622819330575 0.41951108658302 18.998 > 10 77 F 0.16881303968405 0.46622819330574 0.91951108658302 18.998 > 10 78 F 0.66881303968405 0.46622819330574 0.91951108658302 18.998 > 10 79 F 0.16881303968405 0.96622819330575 0.91951108658302 18.998 > 10 80 F 0.66881303968405 0.96622819330575 0.91951108658302 18.998 > 10 81 F 0.33118696031595 0.21622819330574 0.08048891341698 18.998 > 11 82 F 0.83118696031595 0.21622819330574 0.08048891341698 18.998 > 11 83 F 0.33118696031595 0.71622819330575 0.08048891341698 18.998 > 11 84 F 0.83118696031595 0.71622819330575 0.08048891341698 18.998 > 11 85 F 0.33118696031595 0.21622819330574 0.58048891341698 18.998 > 11 86 F 0.83118696031595 0.21622819330574 0.58048891341698 18.998 > 11 87 F 0.33118696031595 0.71622819330575 0.58048891341698 18.998 > 11 88 F 0.83118696031595 0.71622819330575 0.58048891341698 18.998 > 11 89 F 0.41881303968405 0.28377180669426 0.33048891341698 18.998 > 12 90 F 0.91881303968405 0.28377180669426 0.33048891341698 18.998 > 12 91 F 0.41881303968405 0.78377180669425 0.33048891341698 18.998 > 12 92 F 0.91881303968405 0.78377180669425 0.33048891341698 18.998 > 12 93 F 0.41881303968405 0.28377180669426 0.83048891341698 18.998 > 12 94 F 0.91881303968405 0.28377180669426 0.83048891341698 18.998 > 12 95 F 0.41881303968405 0.78377180669425 0.83048891341698 18.998 > 12 96 F 0.91881303968405 0.78377180669425 0.83048891341698 18.998 > 12 *97 Tl 0.31459267857309 0.37500000000000 0.48031451215342 204.383 > 13 98 Tl 0.81459267857309 0.37500000000000 0.48031451215342 204.383 > 13 99 Tl 0.31459267857309 0.87500000000000 0.48031451215342 204.383 > 13 100 Tl 0.81459267857309 0.87500000000000 0.48031451215342 204.383 > 13 101 Tl 0.31459267857309 0.37500000000000 0.98031451215342 204.383 > 13 102 Tl 0.81459267857309 0.37500000000000 0.98031451215342 204.383 > 13 103 Tl 0.31459267857309 0.87500000000000 0.98031451215342 204.383 > 13 104 Tl 0.81459267857309 0.87500000000000 0.98031451215342 204.383 > 13 105 Tl 0.43540732142691 0.12500000000000 0.23031451215342 204.383 > 14 106 Tl 0.93540732142691 0.12500000000000 0.23031451215342 204.383 > 14 107 Tl 0.43540732142691 0.62500000000000 0.23031451215342 204.383 > 14 108 Tl 0.93540732142691 0.62500000000000 0.23031451215342 204.383 > 14 109 Tl 0.43540732142691 0.12500000000000 0.73031451215342 204.383 > 14 110 Tl 0.93540732142691 0.12500000000000 0.73031451215342 204.383 > 14 111 Tl 0.43540732142691 0.62500000000000 0.73031451215342 204.383 > 14 112 Tl 0.93540732142691 0.62500000000000 0.73031451215342 204.383 > 14 113 Tl 0.06459267857309 0.37500000000000 0.26968548784658 204.383 > 15 114 Tl 0.56459267857309 0.37500000000000 0.26968548784658 204.383 > 15 115 Tl 0.06459267857309 0.87500000000000 0.26968548784658 204.383 > 15 116 Tl 0.56459267857309 0.87500000000000 0.26968548784658 204.383 > 15 117 Tl 0.06459267857309 0.37500000000000 0.76968548784658 204.383 > 15 118 Tl 0.56459267857309 0.37500000000000 0.76968548784658 204.383 > 15 119 Tl 0.06459267857309 0.87500000000000 0.76968548784658 204.383 > 15 120 Tl 0.56459267857309 0.87500000000000 0.76968548784658 204.383 > 15 121 Tl 0.18540732142691 0.12500000000000 0.01968548784658 204.383 > 16 122 Tl 0.68540732142691 0.12500000000000 0.01968548784658 204.383 > 16 123 Tl 0.18540732142691 0.62500000000000 0.01968548784658 204.383 > 16 124 Tl 0.68540732142691 0.62500000000000 0.01968548784658 204.383 > 16 125 Tl 0.18540732142691 0.12500000000000 0.51968548784658 204.383 > 16 126 Tl 0.68540732142691 0.12500000000000 0.51968548784658 204.383 > 16 127 Tl 0.18540732142691 0.62500000000000 0.51968548784658 204.383 > 16 128 Tl 0.68540732142691 0.62500000000000 0.51968548784658 204.383 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1827247 0.0000000 0.0000000 0.0000000 4.1175760 0.0000000 0.0000000 0.0000000 4.0436827 -------------------------- Born effective charges -------------------------- 1 F -1.2177768 -0.0045879 0.3259956 -0.0370489 -1.5394761 -0.3702617 0.4771379 -0.3159705 -1.1187882 2 F -1.2177768 -0.0045879 -0.3259956 -0.0370489 -1.5394761 0.3702617 -0.4771379 0.3159705 -1.1187882 3 F -1.2177768 0.0045879 -0.3259956 0.0370489 -1.5394761 -0.3702617 -0.4771379 -0.3159705 -1.1187882 4 F -1.2177768 0.0045879 0.3259956 0.0370489 -1.5394761 0.3702617 0.4771379 0.3159705 -1.1187882 5 F -1.4137286 0.0000000 0.5230354 0.0000000 -0.6865386 0.0000000 0.6242529 0.0000000 -1.5003969 6 F -1.4137286 0.0000000 -0.5230354 0.0000000 -0.6865386 0.0000000 -0.6242529 0.0000000 -1.5003969 7 F -1.4137286 0.0000000 -0.5230354 0.0000000 -0.6865386 0.0000000 -0.6242529 0.0000000 -1.5003969 8 F -1.4137286 0.0000000 0.5230354 0.0000000 -0.6865386 0.0000000 0.6242529 0.0000000 -1.5003969 9 F -1.2177768 0.0045879 0.3259956 0.0370489 -1.5394761 0.3702617 0.4771379 0.3159705 -1.1187882 10 F -1.2177768 0.0045879 -0.3259956 0.0370489 -1.5394761 -0.3702617 -0.4771379 -0.3159705 -1.1187882 11 F -1.2177768 -0.0045879 -0.3259956 -0.0370489 -1.5394761 0.3702617 -0.4771379 0.3159705 -1.1187882 12 F -1.2177768 -0.0045879 0.3259956 -0.0370489 -1.5394761 -0.3702617 0.4771379 -0.3159705 -1.1187882 13 Tl 3.8492822 0.0000000 -0.5547845 0.0000000 3.7654908 0.0000000 0.1538944 0.0000000 3.7379733 14 Tl 3.8492822 0.0000000 0.5547845 0.0000000 3.7654908 0.0000000 -0.1538944 0.0000000 3.7379733 15 Tl 3.8492822 0.0000000 0.5547845 0.0000000 3.7654908 0.0000000 -0.1538944 0.0000000 3.7379733 16 Tl 3.8492822 0.0000000 -0.5547845 0.0000000 3.7654908 0.0000000 0.1538944 0.0000000 3.7379733 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1240 Number of blocks in projector: 1240 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1240, 1221), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 1.759 Solver_block: 200 / 240 - Time: 1.787 Solver_block: 240 / 240 - Time: 0.752 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.473 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1240 Number of blocks in projector: 1240 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1240, 1221), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:12:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:12:42]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.894187410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.046752060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.858464030000000 Atomic positions (fractional): 1 F 0.16237392063190 0.43245638661149 0.33902217316605 18.998 2 F 0.33762607936810 0.56754361338851 0.83902217316605 18.998 3 F 0.66237392063190 0.06754361338851 0.16097782683395 18.998 4 F 0.83762607936810 0.93245638661149 0.66097782683395 18.998 5 F 0.53527558375247 0.25000000000000 0.63131754027197 18.998 6 F 0.96472441624753 0.75000000000000 0.13131754027197 18.998 7 F 0.03527558375247 0.25000000000000 0.86868245972803 18.998 8 F 0.46472441624753 0.75000000000000 0.36868245972803 18.998 9 F 0.16237392063190 0.06754361338851 0.33902217316605 18.998 10 F 0.33762607936810 0.93245638661149 0.83902217316605 18.998 11 F 0.66237392063190 0.43245638661149 0.16097782683395 18.998 12 F 0.83762607936810 0.56754361338851 0.66097782683395 18.998 13 Tl 0.62918535714618 0.75000000000000 0.96062902430685 204.383 14 Tl 0.87081464285382 0.25000000000000 0.46062902430685 204.383 15 Tl 0.12918535714619 0.75000000000000 0.53937097569315 204.383 16 Tl 0.37081464285382 0.25000000000000 0.03937097569315 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.788374820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.093504120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.716928060000001 Atomic positions (fractional): 1 F 0.08118696031595 0.21622819330574 0.16951108658302 18.998 > 1 2 F 0.58118696031595 0.21622819330574 0.16951108658302 18.998 > 1 3 F 0.08118696031595 0.71622819330575 0.16951108658302 18.998 > 1 4 F 0.58118696031595 0.71622819330575 0.16951108658302 18.998 > 1 5 F 0.08118696031595 0.21622819330574 0.66951108658302 18.998 > 1 6 F 0.58118696031595 0.21622819330574 0.66951108658302 18.998 > 1 7 F 0.08118696031595 0.71622819330575 0.66951108658302 18.998 > 1 8 F 0.58118696031595 0.71622819330575 0.66951108658302 18.998 > 1 9 F 0.16881303968405 0.28377180669426 0.41951108658302 18.998 > 9 10 F 0.66881303968405 0.28377180669426 0.41951108658302 18.998 > 9 11 F 0.16881303968405 0.78377180669425 0.41951108658302 18.998 > 9 12 F 0.66881303968405 0.78377180669425 0.41951108658302 18.998 > 9 13 F 0.16881303968405 0.28377180669426 0.91951108658302 18.998 > 9 14 F 0.66881303968405 0.28377180669426 0.91951108658302 18.998 > 9 15 F 0.16881303968405 0.78377180669425 0.91951108658302 18.998 > 9 16 F 0.66881303968405 0.78377180669425 0.91951108658302 18.998 > 9 17 F 0.33118696031595 0.03377180669426 0.08048891341698 18.998 > 17 18 F 0.83118696031595 0.03377180669426 0.08048891341698 18.998 > 17 19 F 0.33118696031595 0.53377180669425 0.08048891341698 18.998 > 17 20 F 0.83118696031595 0.53377180669425 0.08048891341698 18.998 > 17 21 F 0.33118696031595 0.03377180669426 0.58048891341698 18.998 > 17 22 F 0.83118696031595 0.03377180669426 0.58048891341698 18.998 > 17 23 F 0.33118696031595 0.53377180669425 0.58048891341698 18.998 > 17 24 F 0.83118696031595 0.53377180669425 0.58048891341698 18.998 > 17 25 F 0.41881303968405 0.46622819330574 0.33048891341698 18.998 > 25 26 F 0.91881303968405 0.46622819330574 0.33048891341698 18.998 > 25 27 F 0.41881303968405 0.96622819330575 0.33048891341698 18.998 > 25 28 F 0.91881303968405 0.96622819330575 0.33048891341698 18.998 > 25 29 F 0.41881303968405 0.46622819330574 0.83048891341698 18.998 > 25 30 F 0.91881303968405 0.46622819330574 0.83048891341698 18.998 > 25 31 F 0.41881303968405 0.96622819330575 0.83048891341698 18.998 > 25 32 F 0.91881303968405 0.96622819330575 0.83048891341698 18.998 > 25 33 F 0.26763779187623 0.12500000000000 0.31565877013598 18.998 > 33 34 F 0.76763779187623 0.12500000000000 0.31565877013598 18.998 > 33 35 F 0.26763779187623 0.62500000000000 0.31565877013598 18.998 > 33 36 F 0.76763779187623 0.62500000000000 0.31565877013598 18.998 > 33 37 F 0.26763779187623 0.12500000000000 0.81565877013598 18.998 > 33 38 F 0.76763779187623 0.12500000000000 0.81565877013598 18.998 > 33 39 F 0.26763779187623 0.62500000000000 0.81565877013598 18.998 > 33 40 F 0.76763779187623 0.62500000000000 0.81565877013598 18.998 > 33 41 F 0.48236220812377 0.37500000000000 0.06565877013598 18.998 > 41 42 F 0.98236220812377 0.37500000000000 0.06565877013598 18.998 > 41 43 F 0.48236220812377 0.87500000000000 0.06565877013598 18.998 > 41 44 F 0.98236220812377 0.87500000000000 0.06565877013598 18.998 > 41 45 F 0.48236220812377 0.37500000000000 0.56565877013598 18.998 > 41 46 F 0.98236220812377 0.37500000000000 0.56565877013598 18.998 > 41 47 F 0.48236220812377 0.87500000000000 0.56565877013598 18.998 > 41 48 F 0.98236220812377 0.87500000000000 0.56565877013598 18.998 > 41 49 F 0.01763779187623 0.12500000000000 0.43434122986402 18.998 > 49 50 F 0.51763779187623 0.12500000000000 0.43434122986402 18.998 > 49 51 F 0.01763779187623 0.62500000000000 0.43434122986402 18.998 > 49 52 F 0.51763779187623 0.62500000000000 0.43434122986402 18.998 > 49 53 F 0.01763779187623 0.12500000000000 0.93434122986402 18.998 > 49 54 F 0.51763779187623 0.12500000000000 0.93434122986402 18.998 > 49 55 F 0.01763779187623 0.62500000000000 0.93434122986402 18.998 > 49 56 F 0.51763779187623 0.62500000000000 0.93434122986402 18.998 > 49 57 F 0.23236220812377 0.37500000000000 0.18434122986402 18.998 > 57 58 F 0.73236220812377 0.37500000000000 0.18434122986402 18.998 > 57 59 F 0.23236220812377 0.87500000000000 0.18434122986402 18.998 > 57 60 F 0.73236220812377 0.87500000000000 0.18434122986402 18.998 > 57 61 F 0.23236220812377 0.37500000000000 0.68434122986402 18.998 > 57 62 F 0.73236220812377 0.37500000000000 0.68434122986402 18.998 > 57 63 F 0.23236220812377 0.87500000000000 0.68434122986402 18.998 > 57 64 F 0.73236220812377 0.87500000000000 0.68434122986402 18.998 > 57 65 F 0.08118696031595 0.03377180669426 0.16951108658302 18.998 > 65 66 F 0.58118696031595 0.03377180669426 0.16951108658302 18.998 > 65 67 F 0.08118696031595 0.53377180669425 0.16951108658302 18.998 > 65 68 F 0.58118696031595 0.53377180669425 0.16951108658302 18.998 > 65 69 F 0.08118696031595 0.03377180669426 0.66951108658302 18.998 > 65 70 F 0.58118696031595 0.03377180669426 0.66951108658302 18.998 > 65 71 F 0.08118696031595 0.53377180669425 0.66951108658302 18.998 > 65 72 F 0.58118696031595 0.53377180669425 0.66951108658302 18.998 > 65 73 F 0.16881303968405 0.46622819330574 0.41951108658302 18.998 > 73 74 F 0.66881303968405 0.46622819330574 0.41951108658302 18.998 > 73 75 F 0.16881303968405 0.96622819330575 0.41951108658302 18.998 > 73 76 F 0.66881303968405 0.96622819330575 0.41951108658302 18.998 > 73 77 F 0.16881303968405 0.46622819330574 0.91951108658302 18.998 > 73 78 F 0.66881303968405 0.46622819330574 0.91951108658302 18.998 > 73 79 F 0.16881303968405 0.96622819330575 0.91951108658302 18.998 > 73 80 F 0.66881303968405 0.96622819330575 0.91951108658302 18.998 > 73 81 F 0.33118696031595 0.21622819330574 0.08048891341698 18.998 > 81 82 F 0.83118696031595 0.21622819330574 0.08048891341698 18.998 > 81 83 F 0.33118696031595 0.71622819330575 0.08048891341698 18.998 > 81 84 F 0.83118696031595 0.71622819330575 0.08048891341698 18.998 > 81 85 F 0.33118696031595 0.21622819330574 0.58048891341698 18.998 > 81 86 F 0.83118696031595 0.21622819330574 0.58048891341698 18.998 > 81 87 F 0.33118696031595 0.71622819330575 0.58048891341698 18.998 > 81 88 F 0.83118696031595 0.71622819330575 0.58048891341698 18.998 > 81 89 F 0.41881303968405 0.28377180669426 0.33048891341698 18.998 > 89 90 F 0.91881303968405 0.28377180669426 0.33048891341698 18.998 > 89 91 F 0.41881303968405 0.78377180669425 0.33048891341698 18.998 > 89 92 F 0.91881303968405 0.78377180669425 0.33048891341698 18.998 > 89 93 F 0.41881303968405 0.28377180669426 0.83048891341698 18.998 > 89 94 F 0.91881303968405 0.28377180669426 0.83048891341698 18.998 > 89 95 F 0.41881303968405 0.78377180669425 0.83048891341698 18.998 > 89 96 F 0.91881303968405 0.78377180669425 0.83048891341698 18.998 > 89 97 Tl 0.31459267857309 0.37500000000000 0.48031451215342 204.383 > 97 98 Tl 0.81459267857309 0.37500000000000 0.48031451215342 204.383 > 97 99 Tl 0.31459267857309 0.87500000000000 0.48031451215342 204.383 > 97 100 Tl 0.81459267857309 0.87500000000000 0.48031451215342 204.383 > 97 101 Tl 0.31459267857309 0.37500000000000 0.98031451215342 204.383 > 97 102 Tl 0.81459267857309 0.37500000000000 0.98031451215342 204.383 > 97 103 Tl 0.31459267857309 0.87500000000000 0.98031451215342 204.383 > 97 104 Tl 0.81459267857309 0.87500000000000 0.98031451215342 204.383 > 97 105 Tl 0.43540732142691 0.12500000000000 0.23031451215342 204.383 > 105 106 Tl 0.93540732142691 0.12500000000000 0.23031451215342 204.383 > 105 107 Tl 0.43540732142691 0.62500000000000 0.23031451215342 204.383 > 105 108 Tl 0.93540732142691 0.62500000000000 0.23031451215342 204.383 > 105 109 Tl 0.43540732142691 0.12500000000000 0.73031451215342 204.383 > 105 110 Tl 0.93540732142691 0.12500000000000 0.73031451215342 204.383 > 105 111 Tl 0.43540732142691 0.62500000000000 0.73031451215342 204.383 > 105 112 Tl 0.93540732142691 0.62500000000000 0.73031451215342 204.383 > 105 113 Tl 0.06459267857309 0.37500000000000 0.26968548784658 204.383 > 113 114 Tl 0.56459267857309 0.37500000000000 0.26968548784658 204.383 > 113 115 Tl 0.06459267857309 0.87500000000000 0.26968548784658 204.383 > 113 116 Tl 0.56459267857309 0.87500000000000 0.26968548784658 204.383 > 113 117 Tl 0.06459267857309 0.37500000000000 0.76968548784658 204.383 > 113 118 Tl 0.56459267857309 0.37500000000000 0.76968548784658 204.383 > 113 119 Tl 0.06459267857309 0.87500000000000 0.76968548784658 204.383 > 113 120 Tl 0.56459267857309 0.87500000000000 0.76968548784658 204.383 > 113 121 Tl 0.18540732142691 0.12500000000000 0.01968548784658 204.383 > 121 122 Tl 0.68540732142691 0.12500000000000 0.01968548784658 204.383 > 121 123 Tl 0.18540732142691 0.62500000000000 0.01968548784658 204.383 > 121 124 Tl 0.68540732142691 0.62500000000000 0.01968548784658 204.383 > 121 125 Tl 0.18540732142691 0.12500000000000 0.51968548784658 204.383 > 121 126 Tl 0.68540732142691 0.12500000000000 0.51968548784658 204.383 > 121 127 Tl 0.18540732142691 0.62500000000000 0.51968548784658 204.383 > 121 128 Tl 0.68540732142691 0.62500000000000 0.51968548784658 204.383 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1827247 0.0000000 0.0000000 0.0000000 4.1175760 0.0000000 0.0000000 0.0000000 4.0436827 -------------------------- Born effective charges -------------------------- 1 F -1.2177768 -0.0045879 0.3259956 -0.0370489 -1.5394761 -0.3702617 0.4771379 -0.3159705 -1.1187882 2 F -1.2177768 -0.0045879 -0.3259956 -0.0370489 -1.5394761 0.3702617 -0.4771379 0.3159705 -1.1187882 3 F -1.2177768 0.0045879 -0.3259956 0.0370489 -1.5394761 -0.3702617 -0.4771379 -0.3159705 -1.1187882 4 F -1.2177768 0.0045879 0.3259956 0.0370489 -1.5394761 0.3702617 0.4771379 0.3159705 -1.1187882 5 F -1.4137286 0.0000000 0.5230354 0.0000000 -0.6865386 0.0000000 0.6242529 0.0000000 -1.5003969 6 F -1.4137286 0.0000000 -0.5230354 0.0000000 -0.6865386 0.0000000 -0.6242529 0.0000000 -1.5003969 7 F -1.4137286 0.0000000 -0.5230354 0.0000000 -0.6865386 0.0000000 -0.6242529 0.0000000 -1.5003969 8 F -1.4137286 0.0000000 0.5230354 0.0000000 -0.6865386 0.0000000 0.6242529 0.0000000 -1.5003969 9 F -1.2177768 0.0045879 0.3259956 0.0370489 -1.5394761 0.3702617 0.4771379 0.3159705 -1.1187882 10 F -1.2177768 0.0045879 -0.3259956 0.0370489 -1.5394761 -0.3702617 -0.4771379 -0.3159705 -1.1187882 11 F -1.2177768 -0.0045879 -0.3259956 -0.0370489 -1.5394761 0.3702617 -0.4771379 0.3159705 -1.1187882 12 F -1.2177768 -0.0045879 0.3259956 -0.0370489 -1.5394761 -0.3702617 0.4771379 -0.3159705 -1.1187882 13 Tl 3.8492822 0.0000000 -0.5547845 0.0000000 3.7654908 0.0000000 0.1538944 0.0000000 3.7379733 14 Tl 3.8492822 0.0000000 0.5547845 0.0000000 3.7654908 0.0000000 -0.1538944 0.0000000 3.7379733 15 Tl 3.8492822 0.0000000 0.5547845 0.0000000 3.7654908 0.0000000 -0.1538944 0.0000000 3.7379733 16 Tl 3.8492822 0.0000000 -0.5547845 0.0000000 3.7654908 0.0000000 0.1538944 0.0000000 3.7379733 ---------------------------------------------------------------------------- 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[ 33, 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: -0.00000011 (xzx) -0.00000011 (xzx) -0.00000011 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:12:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:12:58]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.894187410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.046752060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.858464030000000 Atomic positions (fractional): 1 F 0.16237392063190 0.43245638661149 0.33902217316605 18.998 2 F 0.33762607936810 0.56754361338851 0.83902217316605 18.998 3 F 0.66237392063190 0.06754361338851 0.16097782683395 18.998 4 F 0.83762607936810 0.93245638661149 0.66097782683395 18.998 5 F 0.53527558375247 0.25000000000000 0.63131754027197 18.998 6 F 0.96472441624753 0.75000000000000 0.13131754027197 18.998 7 F 0.03527558375247 0.25000000000000 0.86868245972803 18.998 8 F 0.46472441624753 0.75000000000000 0.36868245972803 18.998 9 F 0.16237392063190 0.06754361338851 0.33902217316605 18.998 10 F 0.33762607936810 0.93245638661149 0.83902217316605 18.998 11 F 0.66237392063190 0.43245638661149 0.16097782683395 18.998 12 F 0.83762607936810 0.56754361338851 0.66097782683395 18.998 13 Tl 0.62918535714618 0.75000000000000 0.96062902430685 204.383 14 Tl 0.87081464285382 0.25000000000000 0.46062902430685 204.383 15 Tl 0.12918535714619 0.75000000000000 0.53937097569315 204.383 16 Tl 0.37081464285382 0.25000000000000 0.03937097569315 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.788374820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.093504120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.716928060000001 Atomic positions (fractional): 1 F 0.08118696031595 0.21622819330574 0.16951108658302 18.998 > 1 2 F 0.58118696031595 0.21622819330574 0.16951108658302 18.998 > 1 3 F 0.08118696031595 0.71622819330575 0.16951108658302 18.998 > 1 4 F 0.58118696031595 0.71622819330575 0.16951108658302 18.998 > 1 5 F 0.08118696031595 0.21622819330574 0.66951108658302 18.998 > 1 6 F 0.58118696031595 0.21622819330574 0.66951108658302 18.998 > 1 7 F 0.08118696031595 0.71622819330575 0.66951108658302 18.998 > 1 8 F 0.58118696031595 0.71622819330575 0.66951108658302 18.998 > 1 9 F 0.16881303968405 0.28377180669426 0.41951108658302 18.998 > 9 10 F 0.66881303968405 0.28377180669426 0.41951108658302 18.998 > 9 11 F 0.16881303968405 0.78377180669425 0.41951108658302 18.998 > 9 12 F 0.66881303968405 0.78377180669425 0.41951108658302 18.998 > 9 13 F 0.16881303968405 0.28377180669426 0.91951108658302 18.998 > 9 14 F 0.66881303968405 0.28377180669426 0.91951108658302 18.998 > 9 15 F 0.16881303968405 0.78377180669425 0.91951108658302 18.998 > 9 16 F 0.66881303968405 0.78377180669425 0.91951108658302 18.998 > 9 17 F 0.33118696031595 0.03377180669426 0.08048891341698 18.998 > 17 18 F 0.83118696031595 0.03377180669426 0.08048891341698 18.998 > 17 19 F 0.33118696031595 0.53377180669425 0.08048891341698 18.998 > 17 20 F 0.83118696031595 0.53377180669425 0.08048891341698 18.998 > 17 21 F 0.33118696031595 0.03377180669426 0.58048891341698 18.998 > 17 22 F 0.83118696031595 0.03377180669426 0.58048891341698 18.998 > 17 23 F 0.33118696031595 0.53377180669425 0.58048891341698 18.998 > 17 24 F 0.83118696031595 0.53377180669425 0.58048891341698 18.998 > 17 25 F 0.41881303968405 0.46622819330574 0.33048891341698 18.998 > 25 26 F 0.91881303968405 0.46622819330574 0.33048891341698 18.998 > 25 27 F 0.41881303968405 0.96622819330575 0.33048891341698 18.998 > 25 28 F 0.91881303968405 0.96622819330575 0.33048891341698 18.998 > 25 29 F 0.41881303968405 0.46622819330574 0.83048891341698 18.998 > 25 30 F 0.91881303968405 0.46622819330574 0.83048891341698 18.998 > 25 31 F 0.41881303968405 0.96622819330575 0.83048891341698 18.998 > 25 32 F 0.91881303968405 0.96622819330575 0.83048891341698 18.998 > 25 33 F 0.26763779187623 0.12500000000000 0.31565877013598 18.998 > 33 34 F 0.76763779187623 0.12500000000000 0.31565877013598 18.998 > 33 35 F 0.26763779187623 0.62500000000000 0.31565877013598 18.998 > 33 36 F 0.76763779187623 0.62500000000000 0.31565877013598 18.998 > 33 37 F 0.26763779187623 0.12500000000000 0.81565877013598 18.998 > 33 38 F 0.76763779187623 0.12500000000000 0.81565877013598 18.998 > 33 39 F 0.26763779187623 0.62500000000000 0.81565877013598 18.998 > 33 40 F 0.76763779187623 0.62500000000000 0.81565877013598 18.998 > 33 41 F 0.48236220812377 0.37500000000000 0.06565877013598 18.998 > 41 42 F 0.98236220812377 0.37500000000000 0.06565877013598 18.998 > 41 43 F 0.48236220812377 0.87500000000000 0.06565877013598 18.998 > 41 44 F 0.98236220812377 0.87500000000000 0.06565877013598 18.998 > 41 45 F 0.48236220812377 0.37500000000000 0.56565877013598 18.998 > 41 46 F 0.98236220812377 0.37500000000000 0.56565877013598 18.998 > 41 47 F 0.48236220812377 0.87500000000000 0.56565877013598 18.998 > 41 48 F 0.98236220812377 0.87500000000000 0.56565877013598 18.998 > 41 49 F 0.01763779187623 0.12500000000000 0.43434122986402 18.998 > 49 50 F 0.51763779187623 0.12500000000000 0.43434122986402 18.998 > 49 51 F 0.01763779187623 0.62500000000000 0.43434122986402 18.998 > 49 52 F 0.51763779187623 0.62500000000000 0.43434122986402 18.998 > 49 53 F 0.01763779187623 0.12500000000000 0.93434122986402 18.998 > 49 54 F 0.51763779187623 0.12500000000000 0.93434122986402 18.998 > 49 55 F 0.01763779187623 0.62500000000000 0.93434122986402 18.998 > 49 56 F 0.51763779187623 0.62500000000000 0.93434122986402 18.998 > 49 57 F 0.23236220812377 0.37500000000000 0.18434122986402 18.998 > 57 58 F 0.73236220812377 0.37500000000000 0.18434122986402 18.998 > 57 59 F 0.23236220812377 0.87500000000000 0.18434122986402 18.998 > 57 60 F 0.73236220812377 0.87500000000000 0.18434122986402 18.998 > 57 61 F 0.23236220812377 0.37500000000000 0.68434122986402 18.998 > 57 62 F 0.73236220812377 0.37500000000000 0.68434122986402 18.998 > 57 63 F 0.23236220812377 0.87500000000000 0.68434122986402 18.998 > 57 64 F 0.73236220812377 0.87500000000000 0.68434122986402 18.998 > 57 65 F 0.08118696031595 0.03377180669426 0.16951108658302 18.998 > 65 66 F 0.58118696031595 0.03377180669426 0.16951108658302 18.998 > 65 67 F 0.08118696031595 0.53377180669425 0.16951108658302 18.998 > 65 68 F 0.58118696031595 0.53377180669425 0.16951108658302 18.998 > 65 69 F 0.08118696031595 0.03377180669426 0.66951108658302 18.998 > 65 70 F 0.58118696031595 0.03377180669426 0.66951108658302 18.998 > 65 71 F 0.08118696031595 0.53377180669425 0.66951108658302 18.998 > 65 72 F 0.58118696031595 0.53377180669425 0.66951108658302 18.998 > 65 73 F 0.16881303968405 0.46622819330574 0.41951108658302 18.998 > 73 74 F 0.66881303968405 0.46622819330574 0.41951108658302 18.998 > 73 75 F 0.16881303968405 0.96622819330575 0.41951108658302 18.998 > 73 76 F 0.66881303968405 0.96622819330575 0.41951108658302 18.998 > 73 77 F 0.16881303968405 0.46622819330574 0.91951108658302 18.998 > 73 78 F 0.66881303968405 0.46622819330574 0.91951108658302 18.998 > 73 79 F 0.16881303968405 0.96622819330575 0.91951108658302 18.998 > 73 80 F 0.66881303968405 0.96622819330575 0.91951108658302 18.998 > 73 81 F 0.33118696031595 0.21622819330574 0.08048891341698 18.998 > 81 82 F 0.83118696031595 0.21622819330574 0.08048891341698 18.998 > 81 83 F 0.33118696031595 0.71622819330575 0.08048891341698 18.998 > 81 84 F 0.83118696031595 0.71622819330575 0.08048891341698 18.998 > 81 85 F 0.33118696031595 0.21622819330574 0.58048891341698 18.998 > 81 86 F 0.83118696031595 0.21622819330574 0.58048891341698 18.998 > 81 87 F 0.33118696031595 0.71622819330575 0.58048891341698 18.998 > 81 88 F 0.83118696031595 0.71622819330575 0.58048891341698 18.998 > 81 89 F 0.41881303968405 0.28377180669426 0.33048891341698 18.998 > 89 90 F 0.91881303968405 0.28377180669426 0.33048891341698 18.998 > 89 91 F 0.41881303968405 0.78377180669425 0.33048891341698 18.998 > 89 92 F 0.91881303968405 0.78377180669425 0.33048891341698 18.998 > 89 93 F 0.41881303968405 0.28377180669426 0.83048891341698 18.998 > 89 94 F 0.91881303968405 0.28377180669426 0.83048891341698 18.998 > 89 95 F 0.41881303968405 0.78377180669425 0.83048891341698 18.998 > 89 96 F 0.91881303968405 0.78377180669425 0.83048891341698 18.998 > 89 97 Tl 0.31459267857309 0.37500000000000 0.48031451215342 204.383 > 97 98 Tl 0.81459267857309 0.37500000000000 0.48031451215342 204.383 > 97 99 Tl 0.31459267857309 0.87500000000000 0.48031451215342 204.383 > 97 100 Tl 0.81459267857309 0.87500000000000 0.48031451215342 204.383 > 97 101 Tl 0.31459267857309 0.37500000000000 0.98031451215342 204.383 > 97 102 Tl 0.81459267857309 0.37500000000000 0.98031451215342 204.383 > 97 103 Tl 0.31459267857309 0.87500000000000 0.98031451215342 204.383 > 97 104 Tl 0.81459267857309 0.87500000000000 0.98031451215342 204.383 > 97 105 Tl 0.43540732142691 0.12500000000000 0.23031451215342 204.383 > 105 106 Tl 0.93540732142691 0.12500000000000 0.23031451215342 204.383 > 105 107 Tl 0.43540732142691 0.62500000000000 0.23031451215342 204.383 > 105 108 Tl 0.93540732142691 0.62500000000000 0.23031451215342 204.383 > 105 109 Tl 0.43540732142691 0.12500000000000 0.73031451215342 204.383 > 105 110 Tl 0.93540732142691 0.12500000000000 0.73031451215342 204.383 > 105 111 Tl 0.43540732142691 0.62500000000000 0.73031451215342 204.383 > 105 112 Tl 0.93540732142691 0.62500000000000 0.73031451215342 204.383 > 105 113 Tl 0.06459267857309 0.37500000000000 0.26968548784658 204.383 > 113 114 Tl 0.56459267857309 0.37500000000000 0.26968548784658 204.383 > 113 115 Tl 0.06459267857309 0.87500000000000 0.26968548784658 204.383 > 113 116 Tl 0.56459267857309 0.87500000000000 0.26968548784658 204.383 > 113 117 Tl 0.06459267857309 0.37500000000000 0.76968548784658 204.383 > 113 118 Tl 0.56459267857309 0.37500000000000 0.76968548784658 204.383 > 113 119 Tl 0.06459267857309 0.87500000000000 0.76968548784658 204.383 > 113 120 Tl 0.56459267857309 0.87500000000000 0.76968548784658 204.383 > 113 121 Tl 0.18540732142691 0.12500000000000 0.01968548784658 204.383 > 121 122 Tl 0.68540732142691 0.12500000000000 0.01968548784658 204.383 > 121 123 Tl 0.18540732142691 0.62500000000000 0.01968548784658 204.383 > 121 124 Tl 0.68540732142691 0.62500000000000 0.01968548784658 204.383 > 121 125 Tl 0.18540732142691 0.12500000000000 0.51968548784658 204.383 > 121 126 Tl 0.68540732142691 0.12500000000000 0.51968548784658 204.383 > 121 127 Tl 0.18540732142691 0.62500000000000 0.51968548784658 204.383 > 121 128 Tl 0.68540732142691 0.62500000000000 0.51968548784658 204.383 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1827247 0.0000000 0.0000000 0.0000000 4.1175760 0.0000000 0.0000000 0.0000000 4.0436827 -------------------------- Born effective charges -------------------------- 1 F -1.2177768 -0.0045879 0.3259956 -0.0370489 -1.5394761 -0.3702617 0.4771379 -0.3159705 -1.1187882 2 F -1.2177768 -0.0045879 -0.3259956 -0.0370489 -1.5394761 0.3702617 -0.4771379 0.3159705 -1.1187882 3 F -1.2177768 0.0045879 -0.3259956 0.0370489 -1.5394761 -0.3702617 -0.4771379 -0.3159705 -1.1187882 4 F -1.2177768 0.0045879 0.3259956 0.0370489 -1.5394761 0.3702617 0.4771379 0.3159705 -1.1187882 5 F -1.4137286 0.0000000 0.5230354 0.0000000 -0.6865386 0.0000000 0.6242529 0.0000000 -1.5003969 6 F -1.4137286 0.0000000 -0.5230354 0.0000000 -0.6865386 0.0000000 -0.6242529 0.0000000 -1.5003969 7 F -1.4137286 0.0000000 -0.5230354 0.0000000 -0.6865386 0.0000000 -0.6242529 0.0000000 -1.5003969 8 F -1.4137286 0.0000000 0.5230354 0.0000000 -0.6865386 0.0000000 0.6242529 0.0000000 -1.5003969 9 F -1.2177768 0.0045879 0.3259956 0.0370489 -1.5394761 0.3702617 0.4771379 0.3159705 -1.1187882 10 F -1.2177768 0.0045879 -0.3259956 0.0370489 -1.5394761 -0.3702617 -0.4771379 -0.3159705 -1.1187882 11 F -1.2177768 -0.0045879 -0.3259956 -0.0370489 -1.5394761 0.3702617 -0.4771379 0.3159705 -1.1187882 12 F -1.2177768 -0.0045879 0.3259956 -0.0370489 -1.5394761 -0.3702617 0.4771379 -0.3159705 -1.1187882 13 Tl 3.8492822 0.0000000 -0.5547845 0.0000000 3.7654908 0.0000000 0.1538944 0.0000000 3.7379733 14 Tl 3.8492822 0.0000000 0.5547845 0.0000000 3.7654908 0.0000000 -0.1538944 0.0000000 3.7379733 15 Tl 3.8492822 0.0000000 0.5547845 0.0000000 3.7654908 0.0000000 -0.1538944 0.0000000 3.7379733 16 Tl 3.8492822 0.0000000 -0.5547845 0.0000000 3.7654908 0.0000000 0.1538944 0.0000000 3.7379733 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000011 (xzx) -0.00000011 (xzx) -0.00000011 (xxz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.71, Number of G-points: 303, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 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 1.673 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.583 ( 0.000 0.000 0.000) 0.000 7.810 ( 0.000 0.000 0.000) 0.000 8.146 ( 0.000 0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.955 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.473 ( 0.000 0.000 0.000) 0.000 9.774 ( 0.000 0.000 0.000) 0.000 9.946 ( 0.000 0.000 0.000) 0.000 11.039 ( 0.000 0.000 0.000) 0.000 11.364 ( 0.000 0.000 0.000) 0.000 11.533 ( 0.000 0.000 0.000) 0.000 11.593 ( 0.000 0.000 0.000) 0.000 12.413 ( 0.000 0.000 0.000) 0.000 12.572 ( 0.000 0.000 0.000) 0.000 12.722 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.653 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 17.497 0.000 0.000) 17.497 0.627 ( 29.074 0.000 0.000) 29.074 0.880 ( 40.660 0.000 0.000) 40.660 1.686 ( 0.760 0.000 0.000) 0.760 1.909 ( 6.956 0.000 0.000) 6.956 2.171 ( 4.598 0.000 0.000) 4.598 2.211 ( 13.089 0.000 0.000) 13.089 2.896 ( -3.753 0.000 0.000) 3.753 2.985 ( -0.609 0.000 0.000) 0.609 3.210 ( -2.151 0.000 0.000) 2.151 3.372 ( -0.449 0.000 0.000) 0.449 3.394 ( 1.195 0.000 0.000) 1.195 3.512 ( -2.898 0.000 0.000) 2.898 3.684 ( -7.953 0.000 0.000) 7.953 3.904 ( 0.122 0.000 0.000) 0.122 4.070 ( -4.966 0.000 0.000) 4.966 4.476 ( 1.883 0.000 0.000) 1.883 4.761 ( -1.692 0.000 0.000) 1.692 5.193 ( -5.746 0.000 0.000) 5.746 5.333 ( -4.747 0.000 0.000) 4.747 5.795 ( -4.881 0.000 0.000) 4.881 5.845 ( 13.305 0.000 0.000) 13.305 5.869 ( -2.207 0.000 0.000) 2.207 6.159 ( 2.657 0.000 0.000) 2.657 6.651 ( -3.757 0.000 0.000) 3.757 6.778 ( 4.466 0.000 0.000) 4.466 6.837 ( -11.701 0.000 0.000) 11.701 7.399 ( -5.090 0.000 0.000) 5.090 7.585 ( 0.764 0.000 0.000) 0.764 7.768 ( -4.026 0.000 0.000) 4.026 8.013 ( 13.395 0.000 0.000) 13.395 8.020 ( -10.503 0.000 0.000) 10.503 8.549 ( 4.222 0.000 0.000) 4.222 8.619 ( 19.721 0.000 0.000) 19.721 9.021 ( 7.355 0.000 0.000) 7.355 9.090 ( 6.156 0.000 0.000) 6.156 9.460 ( -0.930 0.000 0.000) 0.930 9.751 ( -2.204 0.000 0.000) 2.204 9.953 ( 0.689 0.000 0.000) 0.689 10.982 ( -5.337 0.000 0.000) 5.337 11.339 ( -2.331 0.000 0.000) 2.331 11.496 ( -3.349 0.000 0.000) 3.349 11.595 ( 0.018 0.000 0.000) 0.018 12.293 ( -15.053 0.000 0.000) 15.053 12.988 ( 14.997 0.000 0.000) 14.997 14.121 ( -2.066 0.000 0.000) 2.066 14.508 ( 0.699 0.000 0.000) 0.699 14.648 ( -0.430 0.000 0.000) 0.430 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 16.692 0.000 0.000) 16.692 1.223 ( 26.846 0.000 0.000) 26.846 1.676 ( -2.332 0.000 0.000) 2.332 1.703 ( 36.295 0.000 0.000) 36.295 2.107 ( 11.165 0.000 0.000) 11.165 2.316 ( 8.834 0.000 0.000) 8.834 2.549 ( 16.557 0.000 0.000) 16.557 2.780 ( -6.938 0.000 0.000) 6.938 2.982 ( 0.320 0.000 0.000) 0.320 3.140 ( -4.291 0.000 0.000) 4.291 3.351 ( -1.797 0.000 0.000) 1.797 3.430 ( 2.140 0.000 0.000) 2.140 3.435 ( -4.140 0.000 0.000) 4.140 3.487 ( -9.191 0.000 0.000) 9.191 3.892 ( -1.759 0.000 0.000) 1.759 3.915 ( -9.118 0.000 0.000) 9.118 4.505 ( 0.603 0.000 0.000) 0.603 4.751 ( 1.404 0.000 0.000) 1.404 5.019 ( -10.321 0.000 0.000) 10.321 5.258 ( -3.033 0.000 0.000) 3.033 5.666 ( -6.607 0.000 0.000) 6.607 5.782 ( -5.862 0.000 0.000) 5.862 6.138 ( 13.240 0.000 0.000) 13.240 6.232 ( 3.801 0.000 0.000) 3.801 6.569 ( -11.709 0.000 0.000) 11.709 6.642 ( 3.722 0.000 0.000) 3.722 6.839 ( -0.148 0.000 0.000) 0.148 7.301 ( -2.901 0.000 0.000) 2.901 7.631 ( -9.449 0.000 0.000) 9.449 7.657 ( 6.916 0.000 0.000) 6.916 7.767 ( -11.720 0.000 0.000) 11.720 8.382 ( 19.298 0.000 0.000) 19.298 8.555 ( -3.916 0.000 0.000) 3.916 9.098 ( 23.793 0.000 0.000) 23.793 9.206 ( 3.677 0.000 0.000) 3.677 9.268 ( 12.565 0.000 0.000) 12.565 9.472 ( 4.675 0.000 0.000) 4.675 9.683 ( -4.076 0.000 0.000) 4.076 9.978 ( 1.563 0.000 0.000) 1.563 10.814 ( -10.511 0.000 0.000) 10.511 11.271 ( -3.809 0.000 0.000) 3.809 11.395 ( -6.038 0.000 0.000) 6.038 11.593 ( -0.082 0.000 0.000) 0.082 11.994 ( -12.758 0.000 0.000) 12.758 13.294 ( 13.607 0.000 0.000) 13.607 14.055 ( -4.218 0.000 0.000) 4.218 14.529 ( 1.190 0.000 0.000) 1.190 14.635 ( -0.840 0.000 0.000) 0.840 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 14.970 0.000 0.000) 14.970 1.573 ( -7.487 0.000 0.000) 7.487 1.755 ( 23.029 0.000 0.000) 23.029 2.333 ( 15.050 0.000 0.000) 15.050 2.362 ( 12.485 0.000 0.000) 12.485 2.529 ( 10.819 0.000 0.000) 10.819 2.645 ( 1.605 0.000 0.000) 1.605 2.784 ( 1.681 0.000 0.000) 1.681 2.941 ( -6.258 0.000 0.000) 6.258 3.097 ( 2.560 0.000 0.000) 2.560 3.268 ( -7.040 0.000 0.000) 7.040 3.336 ( -5.384 0.000 0.000) 5.384 3.405 ( 4.612 0.000 0.000) 4.612 3.485 ( 3.146 0.000 0.000) 3.146 3.717 ( -8.702 0.000 0.000) 8.702 3.809 ( -6.438 0.000 0.000) 6.438 4.514 ( 1.034 0.000 0.000) 1.034 4.780 ( -11.290 0.000 0.000) 11.290 4.833 ( 6.222 0.000 0.000) 6.222 5.166 ( -6.231 0.000 0.000) 6.231 5.552 ( -3.318 0.000 0.000) 3.318 5.644 ( -6.349 0.000 0.000) 6.349 6.299 ( 2.099 0.000 0.000) 2.099 6.330 ( 0.705 0.000 0.000) 0.705 6.449 ( 4.957 0.000 0.000) 4.957 6.764 ( -6.101 0.000 0.000) 6.101 6.801 ( 10.599 0.000 0.000) 10.599 7.296 ( 2.429 0.000 0.000) 2.429 7.367 ( -14.242 0.000 0.000) 14.242 7.557 ( -8.593 0.000 0.000) 8.593 7.874 ( 12.612 0.000 0.000) 12.612 8.403 ( -9.923 0.000 0.000) 9.923 8.774 ( 16.779 0.000 0.000) 16.779 9.215 ( -3.184 0.000 0.000) 3.184 9.399 ( 3.151 0.000 0.000) 3.151 9.574 ( 19.972 0.000 0.000) 19.972 9.584 ( -5.058 0.000 0.000) 5.058 9.769 ( 19.223 0.000 0.000) 19.223 9.999 ( -0.576 0.000 0.000) 0.576 10.540 ( -15.167 0.000 0.000) 15.167 11.192 ( -3.143 0.000 0.000) 3.143 11.257 ( -6.253 0.000 0.000) 6.253 11.598 ( 0.784 0.000 0.000) 0.784 11.767 ( -8.369 0.000 0.000) 8.369 13.560 ( 11.431 0.000 0.000) 11.431 13.941 ( -6.533 0.000 0.000) 6.533 14.557 ( 1.391 0.000 0.000) 1.391 14.613 ( -1.166 0.000 0.000) 1.166 ======================= Grid point 4 (5/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -11.960 0.000 0.000) 11.960 1.364 ( 11.960 0.000 0.000) 11.960 2.184 ( -16.901 0.000 0.000) 16.901 2.184 ( 16.901 0.000 0.000) 16.901 2.618 ( -10.956 0.000 0.000) 10.956 2.618 ( 10.956 0.000 0.000) 10.956 2.756 ( -10.208 0.000 0.000) 10.208 2.756 ( 10.208 0.000 0.000) 10.208 3.013 ( -17.208 0.000 0.000) 17.208 3.013 ( 17.208 0.000 0.000) 17.208 3.206 ( -6.446 0.000 0.000) 6.446 3.206 ( 6.446 0.000 0.000) 6.446 3.570 ( -5.160 0.000 0.000) 5.160 3.570 ( 5.160 0.000 0.000) 5.160 3.616 ( -11.345 0.000 0.000) 11.345 3.616 ( 11.345 0.000 0.000) 11.345 4.585 ( -6.304 0.000 0.000) 6.304 4.585 ( 6.304 0.000 0.000) 6.304 4.999 ( -8.763 0.000 0.000) 8.763 4.999 ( 8.763 0.000 0.000) 8.763 5.544 ( -2.544 0.000 0.000) 2.544 5.544 ( 2.544 0.000 0.000) 2.544 6.318 ( -0.111 0.000 0.000) 0.111 6.318 ( 0.111 0.000 0.000) 0.111 6.613 ( -7.801 0.000 0.000) 7.801 6.613 ( 7.801 0.000 0.000) 7.801 7.065 ( -13.772 0.000 0.000) 13.772 7.065 ( 13.772 0.000 0.000) 13.772 7.394 ( -6.525 0.000 0.000) 6.525 7.394 ( 6.525 0.000 0.000) 6.525 8.154 ( -13.056 0.000 0.000) 13.056 8.154 ( 13.056 0.000 0.000) 13.056 9.068 ( -10.619 0.000 0.000) 10.619 9.068 ( 10.619 0.000 0.000) 10.619 9.479 ( -4.545 0.000 0.000) 4.545 9.479 ( 4.545 0.000 0.000) 4.545 9.899 ( -9.903 0.000 0.000) 9.903 9.899 ( 9.903 0.000 0.000) 9.903 10.179 ( -18.622 0.000 0.000) 18.622 10.179 ( 18.622 0.000 0.000) 18.622 11.167 ( -1.492 0.000 0.000) 1.492 11.167 ( 1.492 0.000 0.000) 1.492 11.641 ( -3.681 0.000 0.000) 3.681 11.641 ( 3.681 0.000 0.000) 3.681 13.777 ( -8.988 0.000 0.000) 8.988 13.777 ( 8.988 0.000 0.000) 8.988 14.586 ( -1.360 0.000 0.000) 1.360 14.586 ( 1.360 0.000 0.000) 1.360 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 0.000 17.321 0.000) 17.321 0.359 ( 0.000 17.858 0.000) 17.858 0.713 ( 0.000 34.269 0.000) 34.269 1.644 ( 0.000 -3.392 0.000) 3.392 1.845 ( 0.000 1.327 0.000) 1.327 1.982 ( 0.000 -7.710 0.000) 7.710 2.106 ( 0.000 -1.969 0.000) 1.969 2.978 ( 0.000 4.161 0.000) 4.161 3.013 ( 0.000 -4.289 0.000) 4.289 3.244 ( 0.000 -6.572 0.000) 6.572 3.245 ( 0.000 7.177 0.000) 7.177 3.636 ( 0.000 0.704 0.000) 0.704 3.732 ( 0.000 -11.167 0.000) 11.167 3.747 ( 0.000 13.819 0.000) 13.819 4.311 ( 0.000 13.730 0.000) 13.730 4.417 ( 0.000 -3.003 0.000) 3.003 4.851 ( 0.000 5.375 0.000) 5.375 5.017 ( 0.000 6.653 0.000) 6.653 5.271 ( 0.000 1.429 0.000) 1.429 5.627 ( 0.000 -2.736 0.000) 2.736 5.722 ( 0.000 -9.653 0.000) 9.653 5.785 ( 0.000 1.305 0.000) 1.305 5.821 ( 0.000 -0.901 0.000) 0.901 6.244 ( 0.000 8.827 0.000) 8.827 6.579 ( 0.000 -12.830 0.000) 12.830 6.595 ( 0.000 -1.111 0.000) 1.111 6.653 ( 0.000 -5.523 0.000) 5.523 7.276 ( 0.000 2.050 0.000) 2.050 7.468 ( 0.000 -2.246 0.000) 2.246 7.525 ( 0.000 -5.754 0.000) 5.754 7.860 ( 0.000 3.935 0.000) 3.935 8.129 ( 0.000 -1.754 0.000) 1.754 8.388 ( 0.000 1.457 0.000) 1.457 8.484 ( 0.000 0.776 0.000) 0.776 8.928 ( 0.000 -7.015 0.000) 7.015 9.362 ( 0.000 -21.132 0.000) 21.132 9.545 ( 0.000 7.012 0.000) 7.012 10.407 ( 0.000 25.899 0.000) 25.899 11.056 ( 0.000 1.830 0.000) 1.830 11.128 ( 0.000 -16.576 0.000) 16.576 11.572 ( 0.000 -2.028 0.000) 2.028 11.588 ( 0.000 4.480 0.000) 4.480 11.849 ( 0.000 12.891 0.000) 12.891 12.414 ( 0.000 0.079 0.000) 0.079 12.580 ( 0.000 0.726 0.000) 0.726 12.712 ( 0.000 -0.904 0.000) 0.904 14.149 ( 0.000 0.711 0.000) 0.711 14.617 ( 0.000 -3.437 0.000) 3.437 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 12.088 13.124 0.000) 17.842 0.712 ( 24.859 7.946 0.000) 26.098 1.109 ( 30.699 19.744 0.000) 36.500 1.679 ( 2.315 -1.460 0.000) 2.737 1.900 ( 5.412 -0.601 0.000) 5.445 2.123 ( 12.344 -8.358 0.000) 14.907 2.147 ( 3.932 -2.609 0.000) 4.719 2.934 ( -3.883 3.258 0.000) 5.069 3.015 ( -0.350 -4.184 0.000) 4.199 3.243 ( -0.312 8.616 0.000) 8.622 3.250 ( 0.588 -5.711 0.000) 5.742 3.539 ( -7.776 2.740 0.000) 8.245 3.646 ( -4.905 0.950 0.000) 4.997 3.808 ( 2.348 2.312 0.000) 3.295 4.262 ( -4.536 13.792 0.000) 14.519 4.385 ( -32.122 38.773 0.000) 50.351 4.446 ( 1.874 -2.828 0.000) 3.392 4.823 ( -2.006 5.167 0.000) 5.543 5.207 ( -5.924 1.196 0.000) 6.043 5.390 ( -8.696 3.513 0.000) 9.379 5.686 ( -3.328 -8.585 0.000) 9.207 5.819 ( 4.903 -1.516 0.000) 5.132 5.905 ( 5.656 2.386 0.000) 6.139 6.258 ( 1.488 8.050 0.000) 8.187 6.604 ( -2.448 -3.969 0.000) 4.663 6.641 ( 4.849 -12.424 0.000) 13.337 6.778 ( -3.154 -4.898 0.000) 5.825 7.319 ( -1.513 -3.451 0.000) 3.768 7.521 ( -0.113 -6.226 0.000) 6.227 7.747 ( 25.625 -10.832 0.000) 27.820 7.812 ( -4.746 3.188 0.000) 5.718 8.020 ( -8.586 0.000 0.000) 8.586 8.592 ( 14.764 1.281 0.000) 14.819 8.629 ( 13.655 1.275 0.000) 13.714 9.002 ( 5.519 -7.665 0.000) 9.445 9.357 ( -0.313 -20.954 0.000) 20.957 9.465 ( -10.424 8.419 0.000) 13.400 9.790 ( -43.468 32.149 0.000) 54.065 10.384 ( -2.238 24.533 0.000) 24.635 11.008 ( -4.546 2.649 0.000) 5.262 11.441 ( -3.267 10.337 0.000) 10.841 11.501 ( -4.448 -0.518 0.000) 4.478 11.626 ( 1.432 3.302 0.000) 3.599 12.290 ( -14.618 -0.475 0.000) 14.626 12.989 ( 15.461 0.095 0.000) 15.461 13.891 ( 37.589 -38.205 0.000) 53.596 14.128 ( -1.983 0.796 0.000) 2.136 14.612 ( -0.544 -3.550 0.000) 3.591 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 14.127 7.537 0.000) 16.012 1.248 ( 24.282 2.838 0.000) 24.447 1.697 ( -0.783 1.449 0.000) 1.647 1.803 ( 32.127 8.912 0.000) 33.340 2.077 ( 10.752 -2.831 0.000) 11.119 2.272 ( 7.629 -4.373 0.000) 8.793 2.435 ( 14.830 -10.544 0.000) 18.196 2.823 ( -6.292 3.951 0.000) 7.430 2.984 ( -2.825 -5.043 0.000) 5.780 3.230 ( -0.773 11.994 0.000) 12.019 3.263 ( 0.382 -3.392 0.000) 3.414 3.379 ( -5.728 2.186 0.000) 6.131 3.534 ( -5.527 2.218 0.000) 5.955 3.821 ( -1.730 2.537 0.000) 3.071 3.954 ( -11.388 30.501 0.000) 32.558 4.136 ( -6.649 14.529 0.000) 15.978 4.485 ( 1.319 -1.660 0.000) 2.120 4.800 ( 0.465 4.102 0.000) 4.128 5.031 ( -10.324 1.006 0.000) 10.373 5.268 ( -4.213 0.456 0.000) 4.238 5.591 ( -5.095 -6.147 0.000) 7.984 5.770 ( -5.738 -0.790 0.000) 5.792 6.135 ( 11.525 -0.884 0.000) 11.559 6.307 ( 2.921 6.316 0.000) 6.959 6.571 ( -5.060 0.662 0.000) 5.103 6.659 ( 0.519 1.181 0.000) 1.290 6.721 ( 1.239 -10.534 0.000) 10.606 7.274 ( -1.143 -1.144 0.000) 1.617 7.528 ( -0.707 -9.318 0.000) 9.345 7.649 ( -9.448 1.518 0.000) 9.570 7.861 ( -4.141 5.301 0.000) 6.726 8.285 ( 23.300 -8.769 0.000) 24.896 8.701 ( -6.077 12.039 0.000) 13.486 9.047 ( 20.239 -3.329 0.000) 20.511 9.095 ( 2.084 -9.554 0.000) 9.778 9.266 ( 4.635 -0.376 0.000) 4.650 9.361 ( 0.914 -19.444 0.000) 19.466 9.513 ( 0.831 2.587 0.000) 2.718 10.306 ( -5.388 19.524 0.000) 20.254 10.861 ( -9.470 4.363 0.000) 10.427 11.376 ( -3.278 9.507 0.000) 10.056 11.396 ( -5.226 0.274 0.000) 5.233 11.646 ( 0.601 4.488 0.000) 4.528 12.007 ( -11.676 1.105 0.000) 11.728 13.303 ( 13.944 1.004 0.000) 13.980 14.064 ( -4.075 1.028 0.000) 4.203 14.313 ( 9.865 -18.325 0.000) 20.812 14.594 ( -1.103 -3.915 0.000) 4.068 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 13.552 3.817 0.000) 14.079 1.545 ( -3.161 -1.132 0.000) 3.358 1.813 ( 18.177 3.991 0.000) 18.610 2.326 ( 12.042 -3.438 0.000) 12.523 2.326 ( 9.848 -1.509 0.000) 9.963 2.456 ( 9.366 -6.786 0.000) 11.566 2.668 ( 2.491 -9.522 0.000) 9.842 2.723 ( 5.774 6.457 0.000) 8.662 2.873 ( -7.940 -5.118 0.000) 9.447 3.233 ( 1.472 12.060 0.000) 12.149 3.243 ( -3.241 0.216 0.000) 3.248 3.368 ( 5.756 2.611 0.000) 6.320 3.410 ( -6.219 3.629 0.000) 7.200 3.725 ( -6.806 3.874 0.000) 7.831 3.822 ( -1.881 22.183 0.000) 22.263 3.994 ( -6.847 14.884 0.000) 16.383 4.512 ( 1.884 0.135 0.000) 1.889 4.791 ( -10.708 0.953 0.000) 10.750 4.864 ( 4.930 2.759 0.000) 5.649 5.167 ( -5.962 -0.324 0.000) 5.971 5.503 ( -2.376 -3.826 0.000) 4.504 5.626 ( -6.990 -0.933 0.000) 7.052 6.346 ( 7.632 -3.131 0.000) 8.249 6.366 ( 2.219 5.404 0.000) 5.842 6.453 ( -2.443 4.208 0.000) 4.866 6.674 ( -5.061 -7.842 0.000) 9.333 6.803 ( 9.985 0.052 0.000) 9.985 7.297 ( 3.349 1.122 0.000) 3.532 7.333 ( -13.583 -3.997 0.000) 14.159 7.532 ( -5.307 -0.911 0.000) 5.385 7.922 ( 9.588 3.496 0.000) 10.205 8.467 ( -12.126 5.646 0.000) 13.376 8.721 ( 15.688 -5.703 0.000) 16.693 9.079 ( -3.165 -11.130 0.000) 11.571 9.273 ( 2.520 -10.822 0.000) 11.112 9.378 ( -0.228 -16.294 0.000) 16.296 9.532 ( 17.541 -2.775 0.000) 17.759 9.781 ( 20.684 0.294 0.000) 20.686 10.146 ( -9.907 10.241 0.000) 14.249 10.603 ( -14.934 4.702 0.000) 15.657 11.298 ( -3.449 4.427 0.000) 5.612 11.306 ( -3.001 10.082 0.000) 10.519 11.659 ( 0.914 5.202 0.000) 5.282 11.806 ( -7.216 3.358 0.000) 7.959 13.574 ( 11.546 1.508 0.000) 11.644 13.953 ( -6.385 1.332 0.000) 6.523 14.450 ( 4.295 -9.802 0.000) 10.702 14.564 ( -1.711 -4.681 0.000) 4.984 ======================= Grid point 13 (10/120) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -10.850 1.405 0.000) 10.941 1.374 ( 10.850 1.405 0.000) 10.941 2.194 ( -15.155 0.268 0.000) 15.158 2.194 ( 15.155 0.268 0.000) 15.158 2.556 ( -8.808 -6.195 0.000) 10.769 2.556 ( 8.808 -6.195 0.000) 10.769 2.663 ( -10.196 -7.043 0.000) 12.392 2.663 ( 10.196 -7.043 0.000) 12.392 3.063 ( -14.696 4.488 0.000) 15.366 3.063 ( 14.696 4.488 0.000) 15.366 3.292 ( -4.192 7.387 0.000) 8.493 3.292 ( 4.192 7.387 0.000) 8.493 3.554 ( -9.274 3.209 0.000) 9.813 3.554 ( 9.274 3.209 0.000) 9.813 3.858 ( -4.969 16.803 0.000) 17.523 3.858 ( 4.969 16.803 0.000) 17.523 4.597 ( -6.639 1.340 0.000) 6.773 4.597 ( 6.639 1.340 0.000) 6.773 5.013 ( -8.045 0.999 0.000) 8.106 5.013 ( 8.045 0.999 0.000) 8.106 5.511 ( -3.181 -2.179 0.000) 3.856 5.511 ( 3.181 -2.179 0.000) 3.856 6.392 ( -0.395 5.684 0.000) 5.698 6.392 ( 0.395 5.684 0.000) 5.698 6.540 ( -6.981 -6.111 0.000) 9.278 6.540 ( 6.981 -6.111 0.000) 9.278 7.048 ( -12.836 -1.774 0.000) 12.958 7.048 ( 12.836 -1.774 0.000) 12.958 7.403 ( -6.107 1.402 0.000) 6.265 7.403 ( 6.107 1.402 0.000) 6.265 8.185 ( -13.721 2.589 0.000) 13.963 8.185 ( 13.721 2.589 0.000) 13.963 8.967 ( -7.751 -8.968 0.000) 11.854 8.967 ( 7.751 -8.968 0.000) 11.854 9.335 ( -3.329 -13.846 0.000) 14.241 9.335 ( 3.329 -13.846 0.000) 14.241 9.883 ( -14.786 0.882 0.000) 14.812 9.883 ( 14.786 0.882 0.000) 14.812 10.229 ( -20.044 2.621 0.000) 20.215 10.229 ( 20.044 2.621 0.000) 20.215 11.265 ( -0.415 8.923 0.000) 8.932 11.265 ( 0.415 8.923 0.000) 8.932 11.698 ( -3.130 4.932 0.000) 5.841 11.698 ( 3.130 4.932 0.000) 5.841 13.791 ( -8.923 1.561 0.000) 9.059 13.791 ( 8.923 1.561 0.000) 9.059 14.520 ( -2.555 -6.278 0.000) 6.778 14.520 ( 2.555 -6.278 0.000) 6.778 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.000 16.791 0.000) 16.791 0.725 ( 0.000 18.173 0.000) 18.173 1.371 ( 0.000 29.889 0.000) 29.889 1.524 ( 0.000 -8.361 0.000) 8.361 1.767 ( 0.000 -12.601 0.000) 12.601 1.872 ( 0.000 1.001 0.000) 1.001 2.034 ( 0.000 -4.871 0.000) 4.871 2.792 ( 0.000 -15.178 0.000) 15.178 3.101 ( 0.000 7.727 0.000) 7.727 3.176 ( 0.000 -0.001 0.000) 0.001 3.486 ( 0.000 8.835 0.000) 8.835 3.517 ( 0.000 -9.670 0.000) 9.670 3.658 ( 0.000 5.363 0.000) 5.363 4.051 ( 0.000 15.923 0.000) 15.923 4.332 ( 0.000 -5.534 0.000) 5.534 4.615 ( 0.000 14.345 0.000) 14.345 4.944 ( 0.000 2.929 0.000) 2.929 5.180 ( 0.000 8.708 0.000) 8.708 5.299 ( 0.000 0.808 0.000) 0.808 5.548 ( 0.000 -5.426 0.000) 5.426 5.557 ( 0.000 -3.945 0.000) 3.945 5.801 ( 0.000 -0.868 0.000) 0.868 5.812 ( 0.000 1.027 0.000) 1.027 6.245 ( 0.000 -19.068 0.000) 19.068 6.456 ( 0.000 12.130 0.000) 12.130 6.530 ( 0.000 -5.554 0.000) 5.554 6.556 ( 0.000 -2.722 0.000) 2.722 7.317 ( 0.000 1.803 0.000) 1.803 7.347 ( 0.000 -11.786 0.000) 11.786 7.416 ( 0.000 -2.535 0.000) 2.535 7.927 ( 0.000 2.134 0.000) 2.134 8.073 ( 0.000 -3.667 0.000) 3.667 8.426 ( 0.000 2.137 0.000) 2.137 8.497 ( 0.000 0.380 0.000) 0.380 8.788 ( 0.000 -5.258 0.000) 5.258 9.010 ( 0.000 -13.291 0.000) 13.291 9.749 ( 0.000 12.764 0.000) 12.764 10.771 ( 0.000 -18.182 0.000) 18.182 10.895 ( 0.000 21.286 0.000) 21.286 11.116 ( 0.000 3.934 0.000) 3.934 11.519 ( 0.000 -2.848 0.000) 2.848 11.662 ( 0.000 1.668 0.000) 1.668 12.092 ( 0.000 10.646 0.000) 10.646 12.410 ( 0.000 -0.735 0.000) 0.735 12.599 ( 0.000 1.082 0.000) 1.082 12.687 ( 0.000 -1.520 0.000) 1.520 14.181 ( 0.000 2.654 0.000) 2.654 14.520 ( 0.000 -5.971 0.000) 5.971 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 8.725 16.834 0.000) 18.960 0.923 ( 18.036 12.130 0.000) 21.736 1.563 ( 17.169 22.377 0.000) 28.204 1.599 ( 6.085 -6.556 0.000) 8.944 1.891 ( 2.094 -0.268 0.000) 2.112 1.897 ( 11.264 -12.542 0.000) 16.858 2.062 ( 2.686 -5.440 0.000) 6.067 2.794 ( 0.152 -13.761 0.000) 13.762 3.066 ( -3.198 7.517 0.000) 8.169 3.196 ( 1.800 0.332 0.000) 1.830 3.461 ( -2.852 4.070 0.000) 4.970 3.509 ( -0.815 -8.419 0.000) 8.458 3.621 ( -2.484 11.315 0.000) 11.584 4.045 ( -0.677 15.094 0.000) 15.109 4.360 ( 1.963 -5.784 0.000) 6.108 4.568 ( -4.146 14.286 0.000) 14.876 4.902 ( -19.713 16.693 0.000) 25.831 4.917 ( -2.126 3.462 0.000) 4.063 5.230 ( -6.190 0.762 0.000) 6.237 5.410 ( -9.563 -1.814 0.000) 9.734 5.531 ( -1.608 -4.647 0.000) 4.917 5.798 ( 1.886 -0.199 0.000) 1.896 5.936 ( 6.240 -0.076 0.000) 6.240 6.288 ( 3.024 -17.109 0.000) 17.374 6.485 ( 3.050 9.822 0.000) 10.284 6.529 ( 1.907 -2.330 0.000) 3.011 6.684 ( 3.386 -4.081 0.000) 5.303 7.307 ( -1.279 1.428 0.000) 1.917 7.336 ( -1.001 -11.883 0.000) 11.925 7.576 ( 17.534 -7.149 0.000) 18.936 7.860 ( -6.359 1.469 0.000) 6.527 8.011 ( -4.530 -1.352 0.000) 4.728 8.618 ( 15.996 1.445 0.000) 16.061 8.657 ( 13.837 1.089 0.000) 13.880 8.840 ( 3.903 -6.766 0.000) 7.811 9.004 ( -0.421 -13.334 0.000) 13.341 9.635 ( -10.672 9.434 0.000) 14.244 10.116 ( -43.908 2.578 0.000) 43.983 10.829 ( -6.133 17.947 0.000) 18.966 11.092 ( -2.899 5.422 0.000) 6.149 11.476 ( -2.929 -1.020 0.000) 3.102 11.690 ( 1.965 1.704 0.000) 2.601 11.716 ( -8.686 14.741 0.000) 17.109 12.262 ( -13.271 -2.695 0.000) 13.542 12.993 ( 17.093 0.412 0.000) 17.098 13.325 ( 38.660 -18.198 0.000) 42.729 14.162 ( -1.773 2.786 0.000) 3.302 14.511 ( -0.833 -6.145 0.000) 6.201 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 9.612 14.154 0.000) 17.109 1.346 ( 19.549 6.676 0.000) 20.657 1.706 ( 2.935 -1.023 0.000) 3.109 1.982 ( 17.769 2.505 0.000) 17.945 2.003 ( 9.231 -3.887 0.000) 10.016 2.147 ( 5.248 -7.369 0.000) 9.046 2.198 ( 16.921 -6.559 0.000) 18.147 2.797 ( -0.265 -8.964 0.000) 8.968 2.975 ( -4.862 7.344 0.000) 8.808 3.245 ( 2.551 1.286 0.000) 2.857 3.375 ( -3.723 -0.540 0.000) 3.762 3.481 ( -1.776 -4.996 0.000) 5.302 3.583 ( -1.169 17.807 0.000) 17.845 4.008 ( -3.269 13.189 0.000) 13.588 4.345 ( -5.983 -0.986 0.000) 6.063 4.457 ( -6.015 14.488 0.000) 15.687 4.584 ( -6.370 18.237 0.000) 19.317 4.874 ( -1.501 2.593 0.000) 2.996 5.057 ( -9.442 1.611 0.000) 9.578 5.247 ( -6.130 -3.093 0.000) 6.867 5.486 ( -2.168 -1.984 0.000) 2.938 5.769 ( -4.154 1.027 0.000) 4.279 6.074 ( 6.086 -5.362 0.000) 8.111 6.336 ( 1.372 -11.923 0.000) 12.001 6.573 ( 4.003 4.701 0.000) 6.174 6.606 ( 2.773 2.531 0.000) 3.755 6.676 ( 0.275 0.456 0.000) 0.532 7.306 ( -2.206 -12.393 0.000) 12.588 7.312 ( 2.357 5.503 0.000) 5.987 7.688 ( -8.340 2.540 0.000) 8.718 7.928 ( -2.386 0.648 0.000) 2.472 8.054 ( 23.910 -13.338 0.000) 27.379 8.896 ( 0.176 -8.551 0.000) 8.553 8.937 ( 4.400 8.015 0.000) 9.144 9.008 ( 1.223 -14.367 0.000) 14.419 9.017 ( 16.480 1.790 0.000) 16.577 9.256 ( -15.098 0.180 0.000) 15.100 9.532 ( -7.206 -1.149 0.000) 7.297 10.640 ( -11.580 12.944 0.000) 17.367 10.959 ( -10.130 3.720 0.000) 10.791 11.434 ( -0.633 4.554 0.000) 4.598 11.609 ( -3.399 12.313 0.000) 12.773 11.729 ( 1.590 2.550 0.000) 3.005 12.022 ( -9.118 -0.151 0.000) 9.119 13.339 ( 15.149 2.733 0.000) 15.393 13.918 ( 18.905 -18.442 0.000) 26.410 14.104 ( -3.705 3.159 0.000) 4.869 14.484 ( -1.760 -6.706 0.000) 6.933 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 9.853 9.769 0.000) 13.875 1.564 ( -1.567 3.228 0.000) 3.588 1.868 ( 14.577 0.719 0.000) 14.594 2.186 ( 2.431 -13.788 0.000) 14.001 2.227 ( 9.439 -6.029 0.000) 11.201 2.298 ( 10.124 -7.362 0.000) 12.518 2.520 ( 5.764 -2.029 0.000) 6.111 2.738 ( -6.168 -5.028 0.000) 7.958 2.937 ( 5.949 10.552 0.000) 12.114 3.283 ( 0.040 3.157 0.000) 3.157 3.374 ( 3.357 0.151 0.000) 3.361 3.438 ( -1.965 -0.511 0.000) 2.031 3.580 ( 1.928 17.287 0.000) 17.394 3.895 ( -7.361 11.976 0.000) 14.058 4.186 ( -5.554 8.701 0.000) 10.322 4.309 ( -7.944 12.721 0.000) 14.997 4.574 ( 2.461 8.441 0.000) 8.792 4.814 ( -7.445 1.500 0.000) 7.594 4.922 ( 1.036 2.203 0.000) 2.434 5.128 ( -5.424 -3.956 0.000) 6.713 5.464 ( 0.531 2.148 0.000) 2.213 5.648 ( -6.582 3.751 0.000) 7.576 6.196 ( 5.466 -10.010 0.000) 11.405 6.345 ( -0.717 -11.912 0.000) 11.933 6.587 ( -1.008 6.716 0.000) 6.792 6.614 ( -0.137 6.286 0.000) 6.288 6.796 ( 8.005 -0.851 0.000) 8.050 7.197 ( -8.487 -8.953 0.000) 12.337 7.395 ( 4.654 9.547 0.000) 10.621 7.561 ( -3.833 3.944 0.000) 5.500 7.964 ( 6.998 -0.407 0.000) 7.010 8.498 ( 16.576 -15.037 0.000) 22.381 8.609 ( -19.659 6.159 0.000) 20.601 8.855 ( -3.390 -9.458 0.000) 10.047 9.028 ( -0.177 -16.245 0.000) 16.246 9.052 ( -5.384 -9.435 0.000) 10.863 9.505 ( 20.945 0.766 0.000) 20.959 9.758 ( 21.699 -2.706 0.000) 21.867 10.341 ( -16.541 8.765 0.000) 18.719 10.664 ( -17.321 0.461 0.000) 17.327 11.445 ( 1.417 9.606 0.000) 9.710 11.544 ( -2.900 12.155 0.000) 12.496 11.760 ( 1.418 3.520 0.000) 3.794 11.874 ( -5.054 2.507 0.000) 5.642 13.627 ( 11.963 3.941 0.000) 12.596 14.002 ( -5.991 3.675 0.000) 7.028 14.203 ( 9.323 -13.446 0.000) 16.362 14.434 ( -3.005 -7.822 0.000) 8.379 ======================= Grid point 22 (15/120) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -8.169 5.767 0.000) 9.999 1.442 ( 8.169 5.767 0.000) 9.999 2.129 ( -7.753 -8.684 0.000) 11.641 2.129 ( 7.753 -8.684 0.000) 11.641 2.417 ( -9.427 -4.271 0.000) 10.350 2.417 ( 9.427 -4.271 0.000) 10.350 2.543 ( -11.329 -4.869 0.000) 12.331 2.543 ( 11.329 -4.869 0.000) 12.331 3.180 ( -10.496 6.654 0.000) 12.428 3.180 ( 10.496 6.654 0.000) 12.428 3.418 ( -0.342 2.966 0.000) 2.985 3.418 ( 0.342 2.966 0.000) 2.985 3.710 ( -9.186 12.310 0.000) 15.359 3.710 ( 9.186 12.310 0.000) 15.359 4.166 ( -3.856 10.041 0.000) 10.756 4.166 ( 3.856 10.041 0.000) 10.756 4.660 ( -5.785 5.579 0.000) 8.037 4.660 ( 5.785 5.579 0.000) 8.037 5.010 ( -5.564 -2.041 0.000) 5.927 5.010 ( 5.564 -2.041 0.000) 5.927 5.520 ( -4.774 4.723 0.000) 6.715 5.520 ( 4.774 4.723 0.000) 6.715 6.297 ( -3.797 -12.461 0.000) 13.027 6.297 ( 3.797 -12.461 0.000) 13.027 6.592 ( -1.195 8.362 0.000) 8.447 6.592 ( 1.195 8.362 0.000) 8.447 6.989 ( -10.003 -4.049 0.000) 10.791 6.989 ( 10.003 -4.049 0.000) 10.791 7.485 ( -3.779 7.565 0.000) 8.456 7.485 ( 3.779 7.565 0.000) 8.456 8.221 ( -16.072 -0.743 0.000) 16.089 8.221 ( 16.072 -0.743 0.000) 16.089 8.751 ( -7.247 -10.880 0.000) 13.073 8.751 ( 7.247 -10.880 0.000) 13.073 9.004 ( -0.894 -16.062 0.000) 16.086 9.004 ( 0.894 -16.062 0.000) 16.086 9.948 ( -20.159 4.930 0.000) 20.753 9.948 ( 20.159 4.930 0.000) 20.753 10.240 ( -22.175 -1.586 0.000) 22.232 10.240 ( 22.175 -1.586 0.000) 22.232 11.487 ( -2.404 11.786 0.000) 12.028 11.487 ( 2.404 11.786 0.000) 12.028 11.798 ( -2.414 3.747 0.000) 4.457 11.798 ( 2.414 3.747 0.000) 4.457 13.847 ( -8.765 4.084 0.000) 9.670 13.847 ( 8.765 4.084 0.000) 9.670 14.350 ( -5.104 -9.878 0.000) 11.119 14.350 ( 5.104 -9.878 0.000) 11.119 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.000 15.303 0.000) 15.303 1.092 ( 0.000 17.929 0.000) 17.929 1.311 ( 0.000 -12.489 0.000) 12.489 1.442 ( 0.000 -16.184 0.000) 16.184 1.889 ( 0.000 1.104 0.000) 1.104 1.938 ( 0.000 -3.903 0.000) 3.903 1.961 ( 0.000 25.358 0.000) 25.358 2.428 ( 0.000 -20.558 0.000) 20.558 3.227 ( 0.000 4.528 0.000) 4.528 3.278 ( 0.000 9.228 0.000) 9.228 3.347 ( 0.000 -7.131 0.000) 7.131 3.451 ( 0.000 -7.086 0.000) 7.086 3.926 ( 0.000 14.921 0.000) 14.921 4.180 ( 0.000 -9.834 0.000) 9.834 4.382 ( 0.000 16.270 0.000) 16.270 4.670 ( 0.000 -10.017 0.000) 10.017 5.102 ( 0.000 12.779 0.000) 12.779 5.278 ( 0.000 -3.811 0.000) 3.811 5.346 ( 0.000 7.245 0.000) 7.245 5.469 ( 0.000 -4.982 0.000) 4.982 5.564 ( 0.000 7.489 0.000) 7.489 5.796 ( 0.000 0.518 0.000) 0.518 5.814 ( 0.000 -0.790 0.000) 0.790 5.847 ( 0.000 -18.823 0.000) 18.823 6.463 ( 0.000 -0.693 0.000) 0.693 6.493 ( 0.000 -3.010 0.000) 3.010 6.736 ( 0.000 15.378 0.000) 15.378 7.060 ( 0.000 -15.864 0.000) 15.864 7.347 ( 0.000 1.234 0.000) 1.234 7.374 ( 0.000 -1.598 0.000) 1.598 7.954 ( 0.000 1.167 0.000) 1.167 7.997 ( 0.000 -3.225 0.000) 3.225 8.467 ( 0.000 1.803 0.000) 1.803 8.494 ( 0.000 -0.760 0.000) 0.760 8.745 ( 0.000 0.909 0.000) 0.909 8.817 ( 0.000 -6.219 0.000) 6.219 10.048 ( 0.000 16.437 0.000) 16.437 10.401 ( 0.000 -18.086 0.000) 18.086 11.202 ( 0.000 3.890 0.000) 3.890 11.206 ( 0.000 6.860 0.000) 6.860 11.503 ( 0.000 3.521 0.000) 3.521 11.626 ( 0.000 -5.257 0.000) 5.257 12.272 ( 0.000 6.936 0.000) 6.936 12.373 ( 0.000 -3.194 0.000) 3.194 12.623 ( 0.000 1.365 0.000) 1.365 12.654 ( 0.000 -1.649 0.000) 1.649 14.262 ( 0.000 5.310 0.000) 5.310 14.387 ( 0.000 -6.736 0.000) 6.736 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 13.081 12.736 0.000) 18.257 1.195 ( 8.091 17.722 0.000) 19.482 1.421 ( 9.502 -10.681 0.000) 14.296 1.547 ( 8.600 -16.422 0.000) 18.538 1.896 ( 0.848 1.206 0.000) 1.474 1.954 ( 1.559 -4.496 0.000) 4.758 2.063 ( 9.663 21.334 0.000) 23.420 2.468 ( 3.822 -18.186 0.000) 18.583 3.238 ( -3.519 8.894 0.000) 9.565 3.247 ( 1.783 4.228 0.000) 4.588 3.356 ( 0.879 -6.486 0.000) 6.545 3.401 ( -4.215 -6.603 0.000) 7.833 3.936 ( 0.666 15.532 0.000) 15.547 4.200 ( 1.415 -10.316 0.000) 10.413 4.361 ( -1.966 15.487 0.000) 15.611 4.631 ( -3.368 -9.000 0.000) 9.610 5.071 ( -3.116 11.217 0.000) 11.642 5.164 ( -12.825 10.064 0.000) 16.302 5.218 ( -5.410 -2.958 0.000) 6.166 5.327 ( -9.960 -6.137 0.000) 11.699 5.569 ( 0.639 9.397 0.000) 9.418 5.821 ( 1.571 2.553 0.000) 2.998 5.889 ( 3.554 -19.868 0.000) 20.184 5.892 ( 3.373 -3.713 0.000) 5.016 6.533 ( 6.194 2.475 0.000) 6.671 6.604 ( 6.197 -3.934 0.000) 7.340 6.747 ( 1.003 14.614 0.000) 14.648 7.055 ( -0.488 -15.189 0.000) 15.197 7.358 ( 2.297 3.465 0.000) 4.157 7.448 ( 9.182 -5.417 0.000) 10.661 7.892 ( -5.315 2.269 0.000) 5.779 7.957 ( -3.468 -3.628 0.000) 5.018 8.648 ( 15.415 1.352 0.000) 15.474 8.666 ( 14.897 -0.273 0.000) 14.900 8.764 ( 1.474 -0.492 0.000) 1.554 8.816 ( -0.139 -5.603 0.000) 5.605 9.842 ( -18.133 10.482 0.000) 20.944 10.038 ( -29.349 -8.091 0.000) 30.444 11.080 ( -8.596 7.684 0.000) 11.530 11.168 ( -6.092 -0.323 0.000) 6.101 11.524 ( 2.102 6.528 0.000) 6.858 11.660 ( 2.594 -4.859 0.000) 5.509 11.985 ( -10.781 11.278 0.000) 15.602 12.168 ( -11.603 -6.785 0.000) 13.441 13.013 ( 20.838 1.820 0.000) 20.918 13.089 ( 28.259 -6.543 0.000) 29.007 14.246 ( -1.500 5.464 0.000) 5.667 14.375 ( -1.180 -6.913 0.000) 7.013 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 7.327 17.685 0.000) 19.142 1.503 ( 15.117 8.137 0.000) 17.168 1.645 ( 9.388 -5.226 0.000) 10.745 1.734 ( 7.618 -17.943 0.000) 19.493 1.951 ( 5.782 -0.345 0.000) 5.792 2.007 ( 3.751 -5.561 0.000) 6.708 2.343 ( 14.775 12.024 0.000) 19.049 2.584 ( 6.156 -11.456 0.000) 13.005 3.150 ( -3.843 8.858 0.000) 9.655 3.298 ( 2.815 3.530 0.000) 4.515 3.306 ( -3.555 -5.963 0.000) 6.942 3.381 ( 1.320 -4.597 0.000) 4.782 3.939 ( -0.571 16.101 0.000) 16.111 4.209 ( -1.134 -10.293 0.000) 10.355 4.295 ( -4.438 14.271 0.000) 14.945 4.538 ( -5.529 -7.409 0.000) 9.245 4.921 ( -8.680 13.428 0.000) 15.989 4.974 ( -5.432 7.164 0.000) 8.991 5.069 ( -7.915 -1.615 0.000) 8.078 5.135 ( -7.561 -7.926 0.000) 10.954 5.598 ( 2.111 13.758 0.000) 13.919 5.822 ( -1.341 4.317 0.000) 4.520 5.940 ( 1.680 -6.934 0.000) 7.134 5.971 ( 3.522 -20.394 0.000) 20.696 6.654 ( 3.862 1.873 0.000) 4.292 6.677 ( 2.162 -0.456 0.000) 2.210 6.776 ( 1.536 12.296 0.000) 12.392 7.040 ( -1.021 -13.416 0.000) 13.455 7.494 ( 9.880 11.911 0.000) 15.475 7.764 ( -5.707 5.081 0.000) 7.641 7.767 ( 18.474 -14.411 0.000) 23.431 7.878 ( -3.024 -5.118 0.000) 5.944 8.781 ( -0.629 -2.393 0.000) 2.474 8.808 ( -0.556 -5.303 0.000) 5.332 9.008 ( 12.075 2.608 0.000) 12.353 9.058 ( 19.527 -1.220 0.000) 19.565 9.332 ( -26.465 6.921 0.000) 27.354 9.465 ( -15.449 -5.290 0.000) 16.330 10.844 ( -13.655 7.758 0.000) 15.705 10.961 ( -13.132 -3.395 0.000) 13.564 11.582 ( 3.025 8.547 0.000) 9.067 11.718 ( 2.629 -3.938 0.000) 4.735 11.837 ( -4.486 9.540 0.000) 10.542 11.980 ( -6.423 -4.427 0.000) 7.800 13.426 ( 17.463 6.208 0.000) 18.534 13.607 ( 19.915 -11.998 0.000) 23.250 14.197 ( -3.188 5.928 0.000) 6.731 14.336 ( -2.526 -7.469 0.000) 7.885 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 5.849 15.296 0.000) 16.376 1.671 ( 0.127 6.946 0.000) 6.947 1.815 ( 6.427 -6.016 0.000) 8.804 1.846 ( 3.119 -17.822 0.000) 18.093 2.141 ( 10.922 -0.941 0.000) 10.962 2.181 ( 13.145 -4.209 0.000) 13.803 2.546 ( 0.923 3.336 0.000) 3.461 2.633 ( -3.473 -4.957 0.000) 6.053 3.154 ( 5.950 9.885 0.000) 11.538 3.315 ( 4.734 -5.686 0.000) 7.399 3.351 ( 1.481 3.249 0.000) 3.570 3.408 ( 1.122 -2.260 0.000) 2.524 3.925 ( 0.099 15.346 0.000) 15.346 4.165 ( -7.806 13.499 0.000) 15.593 4.165 ( -1.681 -7.760 0.000) 7.940 4.382 ( -9.133 -5.732 0.000) 10.783 4.809 ( -2.327 11.598 0.000) 11.829 4.872 ( -4.234 3.793 0.000) 5.685 4.930 ( -3.543 -1.459 0.000) 3.832 5.006 ( -4.766 -7.909 0.000) 9.234 5.653 ( 2.907 15.870 0.000) 16.134 5.777 ( -2.668 8.514 0.000) 8.923 5.977 ( 1.868 -10.860 0.000) 11.020 6.020 ( 0.914 -18.370 0.000) 18.392 6.696 ( 2.092 4.177 0.000) 4.672 6.763 ( 5.114 -2.471 0.000) 5.680 6.792 ( -0.514 9.718 0.000) 9.732 6.996 ( -3.641 -10.308 0.000) 10.932 7.689 ( 6.283 18.703 0.000) 19.730 7.693 ( -0.494 8.769 0.000) 8.783 7.878 ( 4.212 -7.932 0.000) 8.981 8.108 ( 10.223 -21.366 0.000) 23.686 8.732 ( -3.729 -2.122 0.000) 4.291 8.747 ( -17.924 6.930 0.000) 19.217 8.782 ( -2.126 -7.295 0.000) 7.599 8.890 ( -13.406 -7.215 0.000) 15.224 9.567 ( 23.620 4.861 0.000) 24.115 9.675 ( 22.811 -5.193 0.000) 23.395 10.501 ( -18.640 7.037 0.000) 19.924 10.620 ( -18.827 -4.414 0.000) 19.338 11.645 ( 2.843 8.887 0.000) 9.331 11.762 ( -2.981 8.681 0.000) 9.178 11.769 ( 2.252 -2.921 0.000) 3.689 11.878 ( -3.565 -2.608 0.000) 4.417 13.744 ( 12.523 7.702 0.000) 14.702 13.942 ( 12.151 -11.707 0.000) 16.873 14.107 ( -5.363 6.661 0.000) 8.552 14.264 ( -4.367 -8.481 0.000) 9.539 ======================= Grid point 31 (20/120) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -4.372 11.103 0.000) 11.933 1.615 ( 4.372 11.103 0.000) 11.933 1.876 ( -0.283 -14.001 0.000) 14.004 1.876 ( 0.283 -14.001 0.000) 14.004 2.403 ( -11.737 1.600 0.000) 11.846 2.403 ( 11.737 1.600 0.000) 11.846 2.457 ( -11.716 -3.564 0.000) 12.246 2.457 ( 11.716 -3.564 0.000) 12.246 3.314 ( -5.712 6.102 0.000) 8.358 3.314 ( 5.712 6.102 0.000) 8.358 3.410 ( -2.014 -3.048 0.000) 3.653 3.410 ( 2.014 -3.048 0.000) 3.653 3.993 ( -6.828 13.709 0.000) 15.315 3.993 ( 6.828 13.709 0.000) 15.315 4.202 ( -5.941 -5.557 0.000) 8.135 4.202 ( 5.941 -5.557 0.000) 8.135 4.803 ( -1.599 7.142 0.000) 7.319 4.803 ( 1.599 7.142 0.000) 7.319 4.929 ( -2.388 -5.367 0.000) 5.875 4.929 ( 2.388 -5.367 0.000) 5.875 5.716 ( -2.949 13.484 0.000) 13.803 5.716 ( 2.949 13.484 0.000) 13.803 6.013 ( -1.299 -14.925 0.000) 14.982 6.013 ( 1.299 -14.925 0.000) 14.982 6.753 ( -2.797 7.208 0.000) 7.732 6.753 ( 2.797 7.208 0.000) 7.732 6.886 ( -6.118 -5.953 0.000) 8.537 6.886 ( 6.118 -5.953 0.000) 8.537 7.723 ( -1.877 15.541 0.000) 15.654 7.723 ( 1.877 15.541 0.000) 15.654 8.061 ( -10.969 -15.151 0.000) 18.704 8.061 ( 10.969 -15.151 0.000) 18.704 8.635 ( -4.229 1.005 0.000) 4.347 8.635 ( 4.229 1.005 0.000) 4.347 8.748 ( -0.609 -9.176 0.000) 9.196 8.748 ( 0.609 -9.176 0.000) 9.196 10.062 ( -22.472 5.903 0.000) 23.235 10.062 ( 22.472 5.903 0.000) 23.235 10.173 ( -22.927 -4.734 0.000) 23.411 10.173 ( 22.927 -4.734 0.000) 23.411 11.703 ( -2.684 8.720 0.000) 9.124 11.703 ( 2.684 8.720 0.000) 9.124 11.817 ( -2.377 -2.280 0.000) 3.294 11.817 ( 2.377 -2.280 0.000) 3.294 13.963 ( -8.389 7.454 0.000) 11.222 13.963 ( 8.389 7.454 0.000) 11.222 14.143 ( -7.282 -9.997 0.000) 12.368 14.143 ( 7.282 -9.997 0.000) 12.368 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 0.000 0.000 16.960) 16.960 0.601 ( 0.000 0.000 28.730) 28.730 0.620 ( 0.000 0.000 29.461) 29.461 1.701 ( 0.000 0.000 2.368) 2.368 1.844 ( 0.000 0.000 1.189) 1.189 2.105 ( 0.000 0.000 -1.461) 1.461 2.149 ( 0.000 0.000 8.000) 8.000 2.886 ( 0.000 0.000 -4.724) 4.724 2.978 ( 0.000 0.000 -1.637) 1.637 3.198 ( 0.000 0.000 -3.177) 3.177 3.330 ( 0.000 0.000 -3.469) 3.469 3.496 ( 0.000 0.000 -8.927) 8.927 3.645 ( 0.000 0.000 8.012) 8.012 4.009 ( 0.000 0.000 7.015) 7.015 4.106 ( 0.000 0.000 -2.657) 2.657 4.175 ( 0.000 0.000 4.753) 4.753 4.569 ( 0.000 0.000 10.798) 10.798 4.765 ( 0.000 0.000 -1.382) 1.382 5.429 ( 0.000 0.000 0.430) 0.430 5.702 ( 0.000 0.000 3.811) 3.811 5.740 ( 0.000 0.000 -5.204) 5.204 5.917 ( 0.000 0.000 2.891) 2.891 6.112 ( 0.000 0.000 -1.538) 1.538 6.400 ( 0.000 0.000 -5.354) 5.354 6.658 ( 0.000 0.000 4.643) 4.643 6.693 ( 0.000 0.000 -4.252) 4.252 6.757 ( 0.000 0.000 3.543) 3.543 6.844 ( 0.000 0.000 -9.008) 9.008 7.575 ( 0.000 0.000 8.196) 8.196 7.691 ( 0.000 0.000 8.097) 8.097 7.784 ( 0.000 0.000 -4.245) 4.245 8.137 ( 0.000 0.000 -0.848) 0.848 8.375 ( 0.000 0.000 0.284) 0.284 8.431 ( 0.000 0.000 -4.085) 4.085 8.920 ( 0.000 0.000 -3.135) 3.135 9.376 ( 0.000 0.000 -6.873) 6.873 9.871 ( 0.000 0.000 -7.278) 7.278 9.903 ( 0.000 0.000 9.883) 9.883 10.471 ( 0.000 0.000 1.414) 1.414 11.033 ( 0.000 0.000 -0.644) 0.644 11.415 ( 0.000 0.000 3.389) 3.389 11.532 ( 0.000 0.000 -5.335) 5.335 11.802 ( 0.000 0.000 -10.789) 10.789 12.424 ( 0.000 0.000 1.148) 1.148 12.616 ( 0.000 0.000 3.655) 3.655 12.790 ( 0.000 0.000 5.222) 5.222 14.663 ( 0.000 0.000 0.984) 0.984 14.936 ( 0.000 0.000 -0.055) 0.055 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 19.400 0.000 -1.768) 19.480 0.511 ( 12.633 0.000 11.456) 17.054 1.310 ( 33.446 0.000 25.233) 41.897 1.706 ( 0.117 0.000 1.642) 1.646 1.872 ( 4.280 0.000 -3.002) 5.228 2.155 ( 4.709 0.000 -1.316) 4.889 2.299 ( 12.345 0.000 9.228) 15.413 2.813 ( -5.676 0.000 -5.552) 7.940 2.968 ( -0.709 0.000 -1.745) 1.884 3.174 ( -2.302 0.000 -3.279) 4.007 3.324 ( -0.613 0.000 -4.210) 4.254 3.500 ( -0.437 0.000 -7.187) 7.200 3.630 ( -1.197 0.000 8.648) 8.730 3.813 ( -13.018 0.000 12.115) 17.783 4.032 ( -5.820 0.000 6.270) 8.555 4.127 ( -4.640 0.000 5.165) 6.943 4.604 ( 2.518 0.000 11.277) 11.555 4.745 ( -1.229 0.000 -0.969) 1.566 5.348 ( -4.720 0.000 1.227) 4.877 5.463 ( -25.202 0.000 16.733) 30.251 5.733 ( -4.682 0.000 -3.367) 5.767 5.864 ( 11.883 0.000 1.439) 11.970 5.929 ( -6.334 0.000 3.810) 7.392 6.143 ( 2.871 0.000 -1.332) 3.164 6.675 ( -0.426 0.000 2.499) 2.535 6.677 ( -5.543 0.000 -10.366) 11.755 6.810 ( 0.236 0.000 -0.989) 1.017 7.136 ( 3.231 0.000 -16.035) 16.357 7.636 ( -2.485 0.000 3.875) 4.603 7.698 ( 0.085 0.000 -4.636) 4.637 7.790 ( 8.150 0.000 2.359) 8.484 8.154 ( 2.145 0.000 0.781) 2.282 8.556 ( 7.122 0.000 0.822) 7.169 8.604 ( 17.402 0.000 -0.242) 17.403 8.957 ( 5.334 0.000 -5.942) 7.985 9.382 ( 0.786 0.000 -5.514) 5.570 9.855 ( -3.014 0.000 2.875) 4.166 9.872 ( -2.874 0.000 9.463) 9.890 9.943 ( -18.091 0.000 32.920) 37.563 10.976 ( -5.328 0.000 -0.633) 5.365 11.287 ( -4.945 0.000 -1.874) 5.288 11.438 ( -4.491 0.000 -6.130) 7.599 11.577 ( -0.774 0.000 -2.967) 3.066 12.351 ( -14.213 0.000 4.986) 15.062 12.946 ( 15.784 0.000 -4.245) 16.345 13.547 ( 34.058 0.000 -25.479) 42.533 14.595 ( -7.107 0.000 1.630) 7.291 14.785 ( -7.085 0.000 5.486) 8.961 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 14.879 0.000 6.797) 16.358 0.954 ( 29.543 0.000 -16.588) 33.882 1.685 ( -2.522 0.000 0.766) 2.636 1.972 ( 24.523 0.000 11.884) 27.251 2.061 ( 16.459 0.000 0.466) 16.465 2.299 ( 8.643 0.000 -1.399) 8.755 2.594 ( 13.276 0.000 5.982) 14.562 2.674 ( -6.814 0.000 -7.260) 9.956 2.960 ( -0.098 0.000 -2.220) 2.222 3.100 ( -4.366 0.000 -3.454) 5.567 3.302 ( -1.528 0.000 -5.423) 5.634 3.441 ( -5.565 0.000 -4.465) 7.135 3.585 ( -7.894 0.000 14.188) 16.237 3.607 ( -0.777 0.000 9.463) 9.495 3.899 ( -6.431 0.000 1.628) 6.634 3.980 ( -8.704 0.000 5.945) 10.541 4.646 ( 1.209 0.000 12.175) 12.235 4.746 ( 1.871 0.000 -0.192) 1.880 5.098 ( -12.196 0.000 7.193) 14.159 5.268 ( -3.340 0.000 0.803) 3.435 5.629 ( -5.189 0.000 -2.909) 5.949 5.790 ( -7.090 0.000 0.396) 7.101 6.127 ( 11.596 0.000 -1.483) 11.690 6.225 ( 4.789 0.000 -0.315) 4.800 6.479 ( -10.157 0.000 -8.153) 13.025 6.712 ( 4.250 0.000 6.397) 7.680 6.818 ( -1.861 0.000 -2.294) 2.954 7.110 ( -2.374 0.000 -12.534) 12.757 7.591 ( -6.498 0.000 -3.487) 7.375 7.675 ( 6.753 0.000 1.778) 6.983 7.836 ( -6.517 0.000 4.130) 7.716 8.366 ( 16.950 0.000 -0.339) 16.953 8.575 ( -4.794 0.000 1.764) 5.108 8.974 ( 15.151 0.000 -2.345) 15.331 9.188 ( 12.991 0.000 -6.372) 14.469 9.443 ( 6.816 0.000 -2.416) 7.231 9.750 ( 0.105 0.000 34.404) 34.405 9.787 ( -4.879 0.000 8.375) 9.692 9.899 ( 3.006 0.000 -5.845) 6.573 10.808 ( -10.492 0.000 -0.599) 10.509 11.219 ( -2.710 0.000 -4.036) 4.861 11.340 ( -4.727 0.000 -4.688) 6.658 11.568 ( -0.205 0.000 -3.023) 3.030 12.062 ( -12.843 0.000 5.828) 14.104 13.257 ( 13.876 0.000 -3.148) 14.229 13.970 ( 8.906 0.000 -8.477) 12.296 14.434 ( -5.295 0.000 -3.671) 6.443 14.692 ( -3.238 0.000 2.071) 3.844 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 13.937 0.000 4.255) 14.572 1.547 ( 25.840 0.000 -15.637) 30.203 1.585 ( -7.003 0.000 1.167) 7.100 2.278 ( 7.470 0.000 -5.540) 9.301 2.381 ( -0.416 0.000 -6.733) 6.746 2.505 ( 10.383 0.000 -2.075) 10.588 2.698 ( 19.091 0.000 9.348) 21.257 2.771 ( -0.179 0.000 0.441) 0.476 2.905 ( -6.582 0.000 -3.354) 7.387 3.061 ( 2.380 0.000 -3.125) 3.928 3.251 ( -3.503 0.000 -5.567) 6.578 3.325 ( -4.376 0.000 2.916) 5.259 3.464 ( -2.771 0.000 5.710) 6.347 3.606 ( 0.953 0.000 8.922) 8.973 3.748 ( -8.117 0.000 -3.263) 8.749 3.792 ( -8.169 0.000 6.764) 10.606 4.669 ( 1.513 0.000 12.584) 12.674 4.835 ( 6.448 0.000 0.336) 6.457 4.880 ( -8.670 0.000 8.543) 12.171 5.172 ( -6.323 0.000 0.442) 6.339 5.540 ( -2.495 0.000 -1.069) 2.715 5.642 ( -6.365 0.000 -0.261) 6.370 6.265 ( 2.170 0.000 -3.492) 4.111 6.301 ( -2.999 0.000 -4.013) 5.010 6.409 ( 8.266 0.000 -2.390) 8.604 6.724 ( -6.147 0.000 -3.660) 7.154 6.844 ( 7.542 0.000 4.133) 8.600 7.071 ( -1.773 0.000 -11.248) 11.387 7.469 ( -3.882 0.000 1.477) 4.153 7.645 ( -9.689 0.000 7.085) 12.003 7.891 ( 12.381 0.000 1.666) 12.492 8.408 ( -10.202 0.000 0.410) 10.210 8.736 ( 16.430 0.000 -3.206) 16.740 9.150 ( 0.417 0.000 -3.724) 3.747 9.371 ( 5.827 0.000 -1.904) 6.130 9.618 ( -2.540 0.000 1.695) 3.054 9.788 ( 14.887 0.000 2.495) 15.095 9.842 ( 7.701 0.000 16.546) 18.250 9.986 ( 3.624 0.000 4.260) 5.593 10.535 ( -15.131 0.000 -0.534) 15.141 11.163 ( -1.946 0.000 -2.463) 3.139 11.245 ( -4.244 0.000 -0.962) 4.351 11.578 ( 1.495 0.000 -2.256) 2.706 11.816 ( -10.064 0.000 4.323) 10.953 13.537 ( 12.466 0.000 -1.925) 12.614 13.974 ( -6.462 0.000 2.812) 7.047 14.431 ( 3.897 0.000 -9.669) 10.425 14.620 ( -3.771 0.000 -1.142) 3.940 ======================= Grid point 67 (25/120) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -11.189 0.000 2.488) 11.462 1.390 ( 11.189 0.000 2.488) 11.462 2.031 ( -19.329 0.000 -12.655) 23.104 2.031 ( 19.329 0.000 -12.655) 23.104 2.606 ( -12.399 0.000 -3.344) 12.842 2.606 ( 12.399 0.000 -3.344) 12.842 2.723 ( -9.810 0.000 -2.929) 10.238 2.723 ( 9.810 0.000 -2.929) 10.238 3.111 ( -16.093 0.000 8.930) 18.405 3.111 ( 16.093 0.000 8.930) 18.405 3.154 ( -5.254 0.000 -4.325) 6.806 3.154 ( 5.254 0.000 -4.325) 6.806 3.559 ( -8.972 0.000 -3.157) 9.511 3.559 ( 8.972 0.000 -3.157) 9.511 3.659 ( -4.258 0.000 7.664) 8.767 3.659 ( 4.258 0.000 7.664) 8.767 4.734 ( -4.970 0.000 12.003) 12.991 4.734 ( 4.970 0.000 12.003) 12.991 5.004 ( -8.798 0.000 0.436) 8.809 5.004 ( 8.798 0.000 0.436) 8.809 5.541 ( -2.663 0.000 -0.265) 2.677 5.541 ( 2.663 0.000 -0.265) 2.677 6.277 ( -0.354 0.000 -4.275) 4.290 6.277 ( 0.354 0.000 -4.275) 4.290 6.581 ( -7.320 0.000 -2.632) 7.778 6.581 ( 7.320 0.000 -2.632) 7.778 6.995 ( -5.824 0.000 -4.473) 7.343 6.995 ( 5.824 0.000 -4.473) 7.343 7.477 ( -4.977 0.000 5.966) 7.769 7.477 ( 4.977 0.000 5.966) 7.769 8.162 ( -12.638 0.000 0.774) 12.662 8.162 ( 12.638 0.000 0.774) 12.662 9.029 ( -10.578 0.000 -4.003) 11.310 9.029 ( 10.578 0.000 -4.003) 11.310 9.497 ( -6.296 0.000 1.611) 6.499 9.497 ( 6.296 0.000 1.611) 6.499 9.989 ( -4.081 0.000 8.688) 9.599 9.989 ( 4.081 0.000 8.688) 9.599 10.175 ( -18.456 0.000 -0.331) 18.459 10.175 ( 18.456 0.000 -0.331) 18.459 11.167 ( -2.463 0.000 0.025) 2.463 11.167 ( 2.463 0.000 0.025) 2.463 11.649 ( -5.523 0.000 0.663) 5.562 11.649 ( 5.523 0.000 0.663) 5.562 13.783 ( -10.654 0.000 0.588) 10.670 13.783 ( 10.654 0.000 0.588) 10.670 14.530 ( -4.669 0.000 -5.216) 7.000 14.530 ( 4.669 0.000 -5.216) 7.000 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.000 12.436 14.334) 18.977 0.690 ( 0.000 8.334 24.145) 25.543 0.889 ( 0.000 25.014 16.830) 30.149 1.665 ( 0.000 -3.781 1.863) 4.215 1.856 ( 0.000 1.122 1.086) 1.561 2.038 ( 0.000 -7.665 6.083) 9.786 2.134 ( 0.000 -1.520 2.185) 2.661 2.864 ( 0.000 0.581 -6.189) 6.217 2.982 ( 0.000 -5.560 -2.898) 6.270 3.212 ( 0.000 7.368 -2.751) 7.865 3.454 ( 0.000 -7.645 11.297) 13.641 3.491 ( 0.000 -1.610 -8.206) 8.363 3.606 ( 0.000 17.557 -8.941) 19.702 3.900 ( 0.000 -5.532 9.856) 11.303 4.353 ( 0.000 12.908 3.593) 13.398 4.499 ( 0.000 10.325 -3.818) 11.009 4.562 ( 0.000 9.280 -2.653) 9.652 4.806 ( 0.000 3.236 -3.523) 4.784 5.451 ( 0.000 1.946 2.728) 3.351 5.616 ( 0.000 -8.158 -5.899) 10.067 5.702 ( 0.000 -2.441 5.005) 5.568 5.884 ( 0.000 -1.900 3.511) 3.992 6.072 ( 0.000 -15.054 11.086) 18.695 6.221 ( 0.000 8.712 -2.037) 8.947 6.557 ( 0.000 -11.915 -3.415) 12.394 6.653 ( 0.000 -0.600 5.124) 5.159 6.669 ( 0.000 -5.669 2.426) 6.167 7.048 ( 0.000 7.021 -13.375) 15.106 7.540 ( 0.000 -3.233 7.033) 7.741 7.667 ( 0.000 -4.406 7.532) 8.726 7.828 ( 0.000 3.834 -2.620) 4.644 8.121 ( 0.000 -1.615 -0.734) 1.773 8.239 ( 0.000 -4.153 -5.103) 6.579 8.419 ( 0.000 -1.269 -5.726) 5.865 9.127 ( 0.000 4.308 5.948) 7.344 9.289 ( 0.000 -9.283 -4.814) 10.457 9.664 ( 0.000 -0.353 8.586) 8.593 10.329 ( 0.000 22.595 -7.058) 23.671 10.448 ( 0.000 -0.068 -21.152) 21.152 11.303 ( 0.000 10.049 -4.640) 11.069 11.396 ( 0.000 0.682 2.161) 2.266 11.517 ( 0.000 -1.408 -4.712) 4.918 11.851 ( 0.000 7.466 -7.627) 10.673 12.432 ( 0.000 0.619 1.663) 1.774 12.621 ( 0.000 0.426 3.341) 3.368 12.750 ( 0.000 -2.624 5.188) 5.814 14.592 ( 0.000 -18.158 18.705) 26.069 14.630 ( 0.000 -3.179 1.208) 3.401 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.12 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 9.115 11.374 2.518) 14.792 0.762 ( 9.972 17.550 7.011) 21.368 1.402 ( 29.641 9.321 20.595) 37.278 1.692 ( 2.830 -2.277 1.087) 3.791 1.862 ( 2.296 -0.565 -2.335) 3.323 2.154 ( 4.296 -2.073 0.280) 4.778 2.213 ( 11.617 -7.323 8.766) 16.292 2.813 ( -4.137 1.108 -7.143) 8.328 2.985 ( -0.391 -4.662 -2.868) 5.487 3.203 ( -0.799 7.880 -2.792) 8.398 3.423 ( -4.880 1.803 -6.475) 8.306 3.439 ( -1.544 -5.911 8.722) 10.648 3.635 ( 1.490 13.241 -6.311) 14.743 3.835 ( -5.517 -3.916 8.755) 11.065 4.289 ( -6.609 14.120 2.319) 15.761 4.367 ( -10.596 23.254 -1.799) 25.617 4.567 ( 1.574 -2.858 10.115) 10.628 4.791 ( -0.889 3.401 -2.382) 4.246 5.330 ( -8.919 -0.542 4.993) 10.236 5.504 ( -17.265 1.702 9.725) 19.889 5.618 ( -2.989 -8.304 -3.646) 9.549 5.866 ( 5.398 -1.231 3.240) 6.415 5.940 ( -0.433 1.288 2.771) 3.086 6.236 ( 1.557 7.830 -2.019) 8.235 6.551 ( -0.140 -10.785 -6.750) 12.724 6.651 ( 1.657 -3.599 3.024) 4.984 6.770 ( -1.335 -2.275 -0.807) 2.759 7.140 ( 1.957 0.723 -11.906) 12.088 7.571 ( -1.581 -6.549 3.243) 7.477 7.700 ( 2.460 -1.192 -1.725) 3.232 7.823 ( 4.904 2.892 0.869) 5.759 8.070 ( -0.116 -5.923 3.093) 6.683 8.457 ( 15.127 -4.554 -4.713) 16.486 8.586 ( 13.127 -1.201 -3.279) 13.583 9.107 ( -3.335 3.590 -3.828) 6.218 9.331 ( 4.802 -5.965 0.528) 7.676 9.639 ( -2.284 -2.474 10.178) 10.721 9.920 ( -26.879 3.065 13.424) 30.201 10.349 ( -3.889 23.211 -3.955) 23.865 11.068 ( -11.755 4.977 5.970) 14.092 11.356 ( -1.729 6.895 -6.738) 9.794 11.465 ( -3.661 3.169 -3.279) 5.848 11.602 ( -1.317 2.991 -3.122) 4.520 12.350 ( -13.951 -0.234 5.136) 14.868 12.952 ( 16.149 0.569 -3.988) 16.644 13.420 ( 36.699 -11.095 -19.050) 42.811 14.481 ( -7.215 -10.336 11.092) 16.791 14.652 ( -0.087 -6.484 4.411) 7.843 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.25 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 17.283 4.120 -0.523) 17.775 1.090 ( 21.052 10.441 -7.324) 24.614 1.686 ( -0.837 0.056 0.295) 0.889 1.988 ( 11.606 -1.593 -3.608) 12.258 2.058 ( 24.929 2.327 12.618) 28.037 2.269 ( 7.056 -3.894 -0.249) 8.063 2.494 ( 12.383 -9.076 6.266) 16.582 2.708 ( -5.097 3.730 -7.544) 9.839 2.954 ( -2.590 -4.346 -2.757) 5.762 3.183 ( -0.946 9.900 -2.796) 10.331 3.321 ( -4.052 0.905 -4.000) 5.765 3.385 ( -3.467 -1.094 3.967) 5.381 3.636 ( -2.555 8.926 5.136) 10.611 3.711 ( -4.537 0.348 -0.163) 4.553 4.078 ( -10.268 18.256 5.648) 21.694 4.188 ( -7.545 17.571 4.112) 19.559 4.601 ( 1.498 -3.510 10.053) 10.753 4.794 ( 1.615 3.293 0.106) 3.669 5.093 ( -11.296 -0.201 5.580) 12.601 5.294 ( -5.453 1.763 2.367) 6.201 5.550 ( -3.489 -6.496 -3.234) 8.052 5.787 ( -6.828 -0.047 1.174) 6.929 6.128 ( 10.737 -1.204 -0.825) 10.836 6.288 ( 3.000 5.962 -1.783) 6.909 6.481 ( -5.889 -1.163 -8.125) 10.102 6.714 ( 2.260 -0.141 4.750) 5.262 6.727 ( -0.136 -6.124 0.307) 6.133 7.117 ( -1.987 1.018 -10.547) 10.781 7.561 ( 0.228 -9.250 0.947) 9.301 7.607 ( -5.248 0.882 -2.667) 5.953 7.883 ( -2.033 3.462 1.724) 4.370 8.303 ( 18.410 -6.623 1.536) 19.626 8.661 ( -2.045 4.241 -2.528) 5.344 8.861 ( 11.100 -5.100 -4.675) 13.080 9.081 ( 5.936 -8.865 -7.059) 12.793 9.457 ( 5.522 -0.580 -1.191) 5.678 9.587 ( -2.145 -5.706 11.428) 12.952 9.668 ( 3.582 -9.117 31.165) 32.669 10.252 ( -5.144 21.311 -5.213) 22.534 10.848 ( -10.926 3.257 -0.217) 11.403 11.319 ( -1.805 7.111 -4.292) 8.500 11.381 ( -4.194 5.599 -1.845) 7.235 11.604 ( 0.657 3.048 -4.197) 5.229 12.072 ( -12.133 0.786 5.495) 13.342 13.269 ( 14.091 1.196 -3.038) 14.464 13.927 ( 12.892 -4.857 -10.868) 17.547 14.337 ( -5.007 -7.834 2.053) 9.521 14.627 ( -2.167 -5.362 2.009) 6.122 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.38 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 13.290 2.949 3.111) 13.964 1.523 ( 7.709 0.064 -4.555) 8.954 1.666 ( 9.337 5.158 -7.940) 13.297 2.239 ( 9.498 -3.855 -5.968) 11.861 2.370 ( -1.324 -1.432 -5.061) 5.424 2.426 ( 9.057 -7.347 -2.127) 11.854 2.637 ( -0.029 -10.135 0.368) 10.141 2.780 ( 14.255 6.324 4.279) 16.171 2.860 ( -5.037 -4.271 0.658) 6.637 3.180 ( 1.069 9.433 -2.596) 9.842 3.297 ( 0.882 0.347 1.783) 2.019 3.312 ( -1.533 6.365 -3.540) 7.443 3.512 ( -7.125 3.564 7.681) 11.066 3.648 ( -3.990 3.133 -3.568) 6.202 3.908 ( -4.723 16.861 5.889) 18.474 4.030 ( -7.172 17.555 3.347) 19.257 4.641 ( 2.658 -2.147 10.674) 11.208 4.869 ( 5.606 2.572 0.987) 6.246 4.881 ( -8.737 0.082 7.300) 11.385 5.178 ( -6.320 0.200 1.000) 6.402 5.494 ( -1.203 -3.709 -0.899) 4.002 5.634 ( -7.033 0.016 0.656) 7.064 6.314 ( 4.620 0.850 -4.158) 6.274 6.350 ( 2.667 1.891 -1.713) 3.691 6.387 ( -0.041 2.902 -4.906) 5.700 6.632 ( -5.649 -7.664 -3.711) 10.218 6.849 ( 7.012 -0.023 4.075) 8.110 7.080 ( -2.138 0.879 -10.215) 10.473 7.469 ( -3.765 -0.515 2.661) 4.639 7.566 ( -4.088 -5.257 3.867) 7.700 7.933 ( 8.480 2.653 1.019) 8.943 8.451 ( -11.626 3.434 -1.703) 12.242 8.685 ( 13.844 -6.184 -3.227) 15.502 8.989 ( 0.506 -10.760 -5.504) 12.097 9.249 ( 7.457 -11.180 0.392) 13.444 9.497 ( -3.260 -10.354 5.904) 12.357 9.688 ( 13.090 -5.208 8.937) 16.684 9.906 ( 14.927 0.053 16.262) 22.074 10.135 ( -5.991 13.230 -1.168) 14.570 10.579 ( -14.385 3.782 -1.593) 14.959 11.278 ( -1.982 8.736 -1.893) 9.156 11.298 ( -3.242 6.318 -0.649) 7.131 11.629 ( 1.940 4.340 -3.053) 5.650 11.845 ( -8.969 2.620 3.523) 9.986 13.551 ( 12.486 1.490 -1.982) 12.729 13.981 ( -5.871 0.719 2.274) 6.337 14.348 ( 5.274 -7.813 -8.369) 12.605 14.564 ( -3.732 -5.143 -0.955) 6.426 ======================= Grid point 76 (30/120) ======================= q-point: (-0.50 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -10.248 1.219 2.296) 10.573 1.399 ( 10.248 1.219 2.296) 10.573 2.057 ( -17.663 1.998 -11.738) 21.302 2.057 ( 17.663 1.998 -11.738) 21.302 2.530 ( -8.491 -7.965 -3.127) 12.055 2.530 ( 8.491 -7.965 -3.127) 12.055 2.636 ( -10.262 -6.218 -2.956) 12.357 2.636 ( 10.262 -6.218 -2.956) 12.357 3.139 ( -10.485 3.495 5.055) 12.153 3.139 ( 10.485 3.495 5.055) 12.153 3.281 ( -3.924 9.440 0.409) 10.231 3.281 ( 3.924 9.440 0.409) 10.231 3.509 ( -7.466 1.202 -2.311) 7.908 3.509 ( 7.466 1.202 -2.311) 7.908 3.905 ( -3.795 16.994 4.431) 17.968 3.905 ( 3.795 16.994 4.431) 17.968 4.727 ( -5.631 -0.475 10.469) 11.897 4.727 ( 5.631 -0.475 10.469) 11.897 5.021 ( -8.016 1.207 0.845) 8.151 5.021 ( 8.016 1.207 0.845) 8.151 5.517 ( -3.524 -1.468 0.410) 3.840 5.517 ( 3.524 -1.468 0.410) 3.840 6.348 ( -0.944 6.166 -4.812) 7.878 6.348 ( 0.944 6.166 -4.812) 7.878 6.502 ( -6.353 -7.189 -2.805) 9.996 6.502 ( 6.353 -7.189 -2.805) 9.996 6.994 ( -6.017 -0.576 -3.585) 7.028 6.994 ( 6.017 -0.576 -3.585) 7.028 7.468 ( -3.427 -0.258 4.843) 5.938 7.468 ( 3.427 -0.258 4.843) 5.938 8.178 ( -13.087 0.989 -0.819) 13.150 8.178 ( 13.087 0.989 -0.819) 13.150 8.913 ( -7.225 -9.479 -4.396) 12.704 8.913 ( 7.225 -9.479 -4.396) 12.704 9.395 ( -6.178 -11.207 4.518) 13.571 9.395 ( 6.178 -11.207 4.518) 13.571 9.958 ( -10.468 0.852 7.128) 12.692 9.958 ( 10.468 0.852 7.128) 12.692 10.251 ( -16.051 4.150 2.289) 16.736 10.251 ( 16.051 4.150 2.289) 16.736 11.256 ( -0.462 8.156 -0.739) 8.202 11.256 ( 0.462 8.156 -0.739) 8.202 11.698 ( -4.907 4.294 -0.058) 6.521 11.698 ( 4.907 4.294 -0.058) 6.521 13.796 ( -10.484 1.344 0.380) 10.576 13.796 ( 10.484 1.344 0.380) 10.576 14.468 ( -5.265 -5.837 -4.786) 9.203 14.468 ( 5.265 -5.837 -4.786) 9.203 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.000 13.051 10.602) 16.815 0.916 ( 0.000 13.435 16.661) 21.403 1.443 ( 0.000 26.827 7.244) 27.788 1.544 ( 0.000 -8.071 1.775) 8.264 1.832 ( 0.000 -11.945 7.152) 13.923 1.878 ( 0.000 0.830 0.686) 1.077 2.061 ( 0.000 -5.073 2.173) 5.519 2.755 ( 0.000 -14.667 -2.916) 14.954 2.915 ( 0.000 4.457 -8.383) 9.494 3.392 ( 0.000 -4.706 -6.628) 8.129 3.402 ( 0.000 1.597 11.209) 11.322 3.459 ( 0.000 8.744 -2.492) 9.092 3.858 ( 0.000 2.623 12.689) 12.957 3.950 ( 0.000 16.608 -8.166) 18.507 4.441 ( 0.000 -5.397 9.736) 11.132 4.634 ( 0.000 12.321 1.721) 12.440 4.855 ( 0.000 1.939 -7.270) 7.524 4.885 ( 0.000 12.847 -14.813) 19.608 5.442 ( 0.000 -7.267 -7.799) 10.660 5.494 ( 0.000 1.737 6.080) 6.324 5.659 ( 0.000 -1.324 8.120) 8.227 5.848 ( 0.000 -1.745 2.995) 3.466 5.879 ( 0.000 -5.728 4.460) 7.260 6.233 ( 0.000 -18.511 -1.064) 18.542 6.432 ( 0.000 11.984 -2.216) 12.187 6.573 ( 0.000 -3.406 4.176) 5.389 6.628 ( 0.000 -1.904 6.393) 6.671 7.115 ( 0.000 -0.455 -10.684) 10.694 7.463 ( 0.000 -3.826 4.431) 5.854 7.509 ( 0.000 -9.281 6.825) 11.520 7.909 ( 0.000 3.255 -1.617) 3.634 8.069 ( 0.000 -3.385 -0.322) 3.400 8.220 ( 0.000 1.232 -9.876) 9.953 8.378 ( 0.000 -2.572 -9.035) 9.394 9.094 ( 0.000 -4.164 17.737) 18.219 9.107 ( 0.000 -6.771 6.493) 9.381 9.786 ( 0.000 10.039 4.210) 10.886 10.425 ( 0.000 -3.770 -22.630) 22.942 10.759 ( 0.000 18.911 -12.682) 22.769 11.248 ( 0.000 -5.045 6.910) 8.556 11.479 ( 0.000 -2.092 -3.313) 3.918 11.497 ( 0.000 2.358 -12.997) 13.209 12.082 ( 0.000 12.344 -2.790) 12.655 12.440 ( 0.000 -0.128 2.762) 2.765 12.634 ( 0.000 0.911 2.789) 2.934 12.713 ( 0.000 -1.158 3.794) 3.967 14.373 ( 0.000 -4.752 13.774) 14.571 14.541 ( 0.000 -5.282 2.021) 5.655 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.12 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 4.599 15.641 0.456) 16.310 1.096 ( 8.783 14.886 9.671) 19.805 1.570 ( 4.158 -6.186 -1.235) 7.555 1.694 ( 19.125 14.330 10.094) 25.942 1.839 ( 1.510 -3.283 0.257) 3.623 2.028 ( 10.993 -6.991 8.001) 15.289 2.079 ( 2.511 -6.028 1.889) 6.797 2.755 ( 0.166 -11.576 -2.955) 11.949 2.908 ( -0.875 3.876 -7.995) 8.928 3.358 ( -2.267 -1.277 0.210) 2.611 3.399 ( -1.329 -0.807 1.520) 2.174 3.449 ( -0.491 7.542 -0.242) 7.562 3.823 ( -3.013 4.795 12.572) 13.788 3.943 ( -0.819 15.777 -7.890) 17.659 4.467 ( 2.099 -5.420 9.294) 10.962 4.578 ( -5.280 12.735 0.727) 13.805 4.782 ( -8.208 14.522 -7.882) 18.449 4.842 ( -1.268 2.339 -6.281) 6.821 5.338 ( -10.550 1.030 5.725) 12.047 5.422 ( -2.990 -6.918 -4.080) 8.570 5.545 ( -9.906 -0.017 7.195) 12.243 5.838 ( 2.178 -0.950 3.003) 3.830 5.943 ( 3.432 -1.513 0.428) 3.775 6.232 ( 1.625 -17.492 -4.499) 18.135 6.446 ( 1.133 10.565 -3.169) 11.089 6.601 ( 4.042 -0.629 6.209) 7.436 6.730 ( 2.602 -1.784 3.260) 4.537 7.150 ( 1.615 -1.456 -9.470) 9.717 7.403 ( -4.052 -7.844 2.313) 9.127 7.617 ( 9.691 -6.621 2.314) 11.962 7.867 ( -1.812 1.077 0.829) 2.265 7.992 ( -3.999 -2.019 -1.389) 4.690 8.403 ( 12.720 -1.114 -8.861) 15.543 8.535 ( 12.506 -3.581 -7.829) 15.183 9.085 ( -0.434 -2.291 6.453) 6.861 9.195 ( 7.656 -6.272 16.132) 18.926 9.693 ( -8.258 5.751 6.218) 11.829 9.985 ( -31.071 1.392 -8.151) 32.152 10.768 ( -2.710 17.294 -9.374) 19.857 11.116 ( -8.940 0.855 4.606) 10.093 11.432 ( -1.541 1.172 -4.817) 5.191 11.561 ( 3.038 2.224 -8.846) 9.614 11.765 ( -9.585 13.342 2.255) 16.582 12.326 ( -12.856 -2.635 5.175) 14.107 12.969 ( 17.399 1.058 -3.144) 17.712 13.191 ( 32.917 -9.613 -7.329) 35.067 14.330 ( -3.821 -3.479 11.353) 12.474 14.535 ( -0.810 -5.914 2.299) 6.397 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.25 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 14.026 11.795 -4.042) 18.767 1.319 ( 13.366 11.696 -0.360) 17.764 1.675 ( 3.294 -2.016 -2.149) 4.420 1.897 ( 7.186 -5.848 -6.322) 11.217 2.105 ( 11.746 -2.483 5.224) 13.093 2.140 ( 6.510 -8.483 2.930) 11.088 2.321 ( 14.647 -2.733 8.331) 17.071 2.771 ( 1.462 -4.246 -1.432) 4.714 2.872 ( -2.272 3.699 -6.454) 7.778 3.296 ( -2.914 -1.664 -1.695) 3.760 3.369 ( -0.800 4.550 1.608) 4.892 3.441 ( -0.289 3.259 0.482) 3.307 3.745 ( -4.104 9.345 10.563) 14.689 3.906 ( -2.897 13.517 -6.623) 15.329 4.406 ( -9.710 12.224 0.345) 15.615 4.510 ( -0.154 -2.611 8.729) 9.112 4.605 ( -5.931 17.365 0.448) 18.355 4.834 ( 0.855 0.174 -2.935) 3.062 5.102 ( -10.651 1.424 4.142) 11.516 5.295 ( -7.023 -2.771 3.657) 8.389 5.447 ( -0.991 -0.986 -2.508) 2.871 5.796 ( -4.671 1.124 2.234) 5.298 6.063 ( 6.267 -5.004 -0.935) 8.074 6.287 ( 2.789 -14.367 -4.744) 15.384 6.464 ( 0.320 7.778 -5.815) 9.717 6.697 ( -0.172 3.165 3.497) 4.720 6.726 ( 2.438 0.912 4.969) 5.610 7.149 ( -1.535 -0.304 -9.380) 9.510 7.358 ( 0.774 -6.698 -0.028) 6.743 7.642 ( -4.673 2.182 -3.542) 6.256 7.923 ( -2.029 -0.958 -0.480) 2.294 8.099 ( 19.077 -12.073 2.949) 22.768 8.614 ( 3.880 -3.715 -11.424) 12.624 8.810 ( 11.067 -8.273 -5.126) 14.737 9.043 ( -6.365 9.119 -1.095) 11.175 9.388 ( 5.650 -4.736 8.980) 11.619 9.463 ( -10.623 -7.067 18.345) 22.346 9.552 ( 1.713 -2.633 10.582) 11.039 10.637 ( -9.113 15.407 -2.331) 18.052 10.916 ( -10.556 2.918 -1.520) 11.057 11.417 ( -0.046 4.689 -1.600) 4.955 11.592 ( -1.596 10.693 -3.345) 11.317 11.669 ( 0.134 3.827 -3.830) 5.416 12.079 ( -10.222 -0.664 4.619) 11.237 13.308 ( 14.990 2.823 -2.838) 15.515 13.756 ( 19.812 -11.140 -10.295) 24.952 14.225 ( -5.783 -1.890 6.750) 9.087 14.501 ( -2.438 -6.809 1.478) 7.382 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.38 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 10.744 8.632 0.997) 13.818 1.564 ( 1.505 3.846 -0.499) 4.160 1.761 ( 12.358 3.802 -8.035) 15.223 2.108 ( 8.497 -10.147 -6.425) 14.712 2.214 ( 3.905 -10.800 -2.468) 11.747 2.295 ( 6.476 -8.046 -0.043) 10.329 2.485 ( -2.935 -1.774 -4.165) 5.395 2.743 ( -7.269 -6.017 -1.239) 9.517 2.957 ( 13.530 9.520 4.153) 17.057 3.295 ( 2.560 1.322 1.120) 3.091 3.358 ( -0.290 4.200 -1.409) 4.439 3.439 ( -0.040 2.516 1.103) 2.748 3.661 ( -3.144 14.051 5.017) 15.248 3.817 ( -5.657 12.168 -3.830) 13.955 4.225 ( -5.560 11.733 1.509) 13.071 4.378 ( -8.859 11.325 5.133) 15.267 4.622 ( 4.173 2.981 5.253) 7.341 4.862 ( -2.384 -1.420 3.118) 4.174 4.929 ( -1.547 2.443 1.646) 3.327 5.155 ( -6.403 -3.114 2.359) 7.500 5.460 ( 2.205 2.675 -0.268) 3.477 5.674 ( -6.467 4.297 2.245) 8.083 6.187 ( 5.446 -9.083 -0.878) 10.626 6.328 ( 0.544 -12.504 -2.031) 12.680 6.471 ( 0.816 6.978 -7.410) 10.211 6.607 ( -5.215 7.232 -3.647) 9.633 6.832 ( 5.219 -1.904 2.976) 6.303 7.077 ( -5.215 -3.187 -8.231) 10.252 7.428 ( 4.562 0.734 1.189) 4.771 7.563 ( -2.722 4.337 0.049) 5.121 7.947 ( 5.440 -2.198 -1.592) 6.079 8.423 ( -0.212 -14.982 -9.574) 17.781 8.537 ( 1.303 1.632 -1.376) 2.501 8.875 ( -6.315 -0.704 0.621) 6.384 8.973 ( 5.632 -14.250 2.062) 15.461 9.248 ( -8.319 -12.535 8.965) 17.512 9.636 ( 17.507 0.268 10.680) 20.509 9.872 ( 19.773 -3.061 12.132) 23.400 10.387 ( -14.433 10.539 4.178) 18.353 10.650 ( -14.673 2.295 -0.900) 14.879 11.426 ( 0.963 8.319 -1.624) 8.530 11.527 ( -3.441 12.382 -1.703) 12.964 11.712 ( 2.850 2.856 -4.334) 5.921 11.898 ( -6.829 1.737 1.965) 7.315 13.603 ( 12.686 3.772 -2.214) 13.418 14.002 ( -1.233 0.656 -0.627) 1.531 14.154 ( 4.709 -9.434 -3.773) 11.199 14.429 ( -4.409 -7.750 -0.699) 8.944 ======================= Grid point 85 (35/120) ======================= q-point: (-0.50 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -7.952 5.305 1.652) 9.701 1.461 ( 7.952 5.305 1.652) 9.701 2.063 ( -10.997 -3.820 -7.053) 13.611 2.063 ( 10.997 -3.820 -7.053) 13.611 2.338 ( -7.349 -7.242 -5.212) 11.559 2.338 ( 7.349 -7.242 -5.212) 11.559 2.519 ( -12.393 -5.631 -3.625) 14.087 2.519 ( 12.393 -5.631 -3.625) 14.087 3.232 ( -9.191 5.228 4.066) 11.329 3.232 ( 9.191 5.228 4.066) 11.329 3.411 ( -3.050 2.158 0.512) 3.772 3.411 ( 3.050 2.158 0.512) 3.772 3.679 ( -5.605 14.833 -1.849) 15.964 3.679 ( 5.605 14.833 -1.849) 15.964 4.218 ( -4.764 10.649 3.789) 12.266 4.218 ( 4.764 10.649 3.789) 12.266 4.734 ( -6.178 2.029 6.304) 9.057 4.734 ( 6.178 2.029 6.304) 9.057 5.020 ( -6.122 -1.989 1.082) 6.527 5.020 ( 6.122 -1.989 1.082) 6.527 5.542 ( -5.430 5.384 1.824) 7.862 5.542 ( 5.430 5.384 1.824) 7.862 6.290 ( -3.910 -11.836 -0.657) 12.483 6.290 ( 3.910 -11.836 -0.657) 12.483 6.513 ( -3.254 8.114 -7.253) 11.359 6.513 ( 3.254 8.114 -7.253) 11.359 6.951 ( -6.071 -4.004 -2.893) 7.827 6.951 ( 6.071 -4.004 -2.893) 7.827 7.508 ( -2.847 5.180 1.659) 6.139 7.508 ( 2.847 5.180 1.659) 6.139 8.159 ( -13.538 -4.384 -5.730) 15.341 8.159 ( 13.538 -4.384 -5.730) 15.341 8.731 ( -8.233 -6.526 -0.408) 10.514 8.731 ( 8.233 -6.526 -0.408) 10.514 9.097 ( -6.339 -15.669 6.814) 18.224 9.097 ( 6.339 -15.669 6.814) 18.224 10.033 ( -18.453 5.361 7.940) 20.792 10.033 ( 18.453 5.361 7.940) 20.792 10.292 ( -18.859 -0.213 4.963) 19.502 10.292 ( 18.859 -0.213 4.963) 19.502 11.462 ( -2.463 11.189 -2.222) 11.671 11.462 ( 2.463 11.189 -2.222) 11.671 11.784 ( -4.130 3.113 -1.334) 5.341 11.784 ( 4.130 3.113 -1.334) 5.341 13.844 ( -10.057 3.667 -0.224) 10.707 13.844 ( 10.057 3.667 -0.224) 10.707 14.310 ( -6.870 -9.204 -3.711) 12.070 14.310 ( 6.870 -9.204 -3.711) 12.070 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.000 12.937 5.960) 14.244 1.212 ( 0.000 14.874 11.123) 18.573 1.347 ( 0.000 -10.678 3.370) 11.197 1.529 ( 0.000 -14.710 8.478) 16.978 1.895 ( 0.000 1.222 0.810) 1.466 1.923 ( 0.000 4.737 1.040) 4.849 2.016 ( 0.000 14.078 3.484) 14.503 2.415 ( 0.000 -18.734 -0.619) 18.744 3.046 ( 0.000 8.197 -8.235) 11.619 3.228 ( 0.000 -9.225 -6.653) 11.374 3.472 ( 0.000 4.288 9.042) 10.007 3.540 ( 0.000 -1.358 3.794) 4.030 4.032 ( 0.000 12.162 9.097) 15.187 4.221 ( 0.000 0.628 -0.831) 1.041 4.359 ( 0.000 6.233 2.684) 6.786 4.614 ( 0.000 -11.398 -4.825) 12.377 5.036 ( 0.000 10.638 -5.390) 11.926 5.073 ( 0.000 5.387 -11.490) 12.690 5.372 ( 0.000 1.520 -7.591) 7.742 5.481 ( 0.000 -4.360 3.496) 5.589 5.676 ( 0.000 3.763 9.081) 9.830 5.801 ( 0.000 -2.824 -1.010) 3.000 5.816 ( 0.000 -1.207 1.269) 1.751 5.874 ( 0.000 -13.968 3.724) 14.456 6.543 ( 0.000 0.508 7.108) 7.126 6.580 ( 0.000 -2.560 7.591) 8.011 6.704 ( 0.000 14.523 -2.977) 14.825 6.988 ( 0.000 -11.974 -6.047) 13.414 7.386 ( 0.000 -1.820 2.850) 3.381 7.399 ( 0.000 -2.247 2.179) 3.130 7.954 ( 0.000 1.675 -0.057) 1.676 7.999 ( 0.000 -3.028 0.110) 3.030 8.266 ( 0.000 2.812 -10.792) 11.152 8.323 ( 0.000 -2.793 -10.611) 10.972 9.025 ( 0.000 -1.699 13.693) 13.798 9.027 ( 0.000 -1.852 17.690) 17.787 10.025 ( 0.000 12.786 -1.687) 12.896 10.273 ( 0.000 -10.770 -11.007) 15.399 11.063 ( 0.000 10.280 -13.241) 16.763 11.178 ( 0.000 -2.696 -2.821) 3.903 11.451 ( 0.000 0.045 -3.851) 3.851 11.488 ( 0.000 -2.428 -10.650) 10.923 12.293 ( 0.000 8.077 0.843) 8.121 12.408 ( 0.000 -3.429 2.747) 4.393 12.660 ( 0.000 1.590 3.046) 3.436 12.690 ( 0.000 -1.287 3.520) 3.748 14.353 ( 0.000 1.989 7.565) 7.822 14.431 ( 0.000 -5.176 3.882) 6.470 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.12 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 4.178 15.378 -1.639) 16.019 1.365 ( 4.352 -12.410 -2.455) 13.378 1.382 ( 9.541 13.591 10.032) 19.400 1.656 ( 8.117 -12.860 7.695) 17.043 1.891 ( 1.499 2.921 0.709) 3.359 1.962 ( 1.058 -4.840 1.005) 5.055 2.130 ( 11.351 16.085 5.872) 20.544 2.467 ( 4.895 -15.908 0.502) 16.652 3.044 ( -0.294 8.452 -8.203) 11.782 3.224 ( -0.523 -8.692 -6.591) 10.921 3.452 ( -1.474 3.695 8.829) 9.684 3.511 ( -2.407 -1.210 4.294) 5.069 4.030 ( -0.310 12.825 8.107) 15.175 4.206 ( -1.647 2.955 -3.053) 4.557 4.374 ( 1.330 2.874 4.979) 5.901 4.590 ( -2.179 -10.175 -3.473) 10.970 4.974 ( -5.627 8.828 -7.846) 13.083 5.013 ( -5.027 5.923 -7.902) 11.081 5.340 ( -3.775 -0.318 -2.519) 4.550 5.357 ( -9.479 -0.172 5.999) 11.219 5.584 ( -4.845 5.928 4.464) 8.863 5.839 ( 0.938 -6.734 -0.390) 6.810 5.843 ( 3.318 -8.529 -1.225) 9.233 5.896 ( 2.091 -4.885 0.698) 5.359 6.623 ( 5.979 2.690 7.375) 9.868 6.664 ( 1.855 2.285 3.064) 4.248 6.725 ( 4.031 8.719 -0.052) 9.606 6.990 ( 0.072 -12.951 -5.632) 14.122 7.364 ( 0.447 3.270 0.254) 3.310 7.473 ( 7.149 -6.777 1.547) 9.971 7.890 ( -4.776 1.784 -0.181) 5.101 7.943 ( -3.664 -3.000 -1.319) 4.916 8.411 ( 10.528 1.723 -9.902) 14.555 8.463 ( 10.458 -3.234 -9.802) 14.694 9.065 ( 4.575 0.354 13.923) 14.660 9.099 ( 6.806 -3.084 17.597) 19.118 9.829 ( -16.803 7.021 -0.278) 18.213 9.951 ( -25.521 -4.385 -6.670) 26.741 11.028 ( -4.386 8.145 -7.875) 12.149 11.116 ( -5.702 -1.380 -2.083) 6.225 11.470 ( 2.321 3.246 -4.548) 6.051 11.545 ( 3.998 -3.097 -9.279) 10.568 12.033 ( -11.347 11.825 3.684) 16.797 12.228 ( -11.490 -7.245 4.577) 14.334 12.997 ( 19.728 1.858 -1.817) 19.898 13.054 ( 24.532 -4.233 -1.977) 24.973 14.326 ( -2.456 2.564 6.577) 7.474 14.414 ( -1.605 -5.609 3.500) 6.804 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.25 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 12.047 14.548 -6.587) 20.004 1.524 ( 8.979 -2.113 -3.922) 10.023 1.584 ( 10.344 2.957 0.933) 10.799 1.771 ( 2.562 -7.766 1.643) 8.341 1.967 ( 5.098 -4.749 1.967) 7.239 1.989 ( 2.256 -5.207 -0.727) 5.721 2.417 ( 12.597 8.319 5.436) 16.045 2.602 ( 6.150 -9.489 1.787) 11.448 3.037 ( 0.553 9.372 -6.198) 11.250 3.209 ( -0.200 -6.885 -4.912) 8.461 3.429 ( -0.382 2.254 7.214) 7.568 3.462 ( -1.721 -0.677 4.264) 4.648 4.011 ( -1.541 13.558 6.080) 14.938 4.146 ( -3.814 5.747 -4.684) 8.338 4.393 ( -0.646 -1.395 7.899) 8.047 4.516 ( -5.035 -6.188 -1.768) 8.171 4.850 ( -4.746 6.641 -5.201) 9.679 4.887 ( -5.615 4.214 -6.354) 9.469 5.144 ( -9.710 2.269 5.154) 11.225 5.209 ( -7.512 -4.330 4.284) 9.671 5.566 ( 2.531 12.778 -1.681) 13.134 5.833 ( -1.022 0.555 0.914) 1.479 5.931 ( 4.142 -14.934 -2.916) 15.770 5.950 ( 2.709 -7.162 0.624) 7.683 6.638 ( -1.803 7.643 -2.903) 8.373 6.723 ( 2.186 -1.132 4.744) 5.344 6.798 ( 1.277 6.156 1.800) 6.540 6.985 ( -0.720 -11.478 -4.767) 12.449 7.443 ( 6.186 10.849 -4.750) 13.361 7.651 ( 4.884 -5.267 -6.197) 9.487 7.831 ( 0.031 -2.291 1.323) 2.645 7.911 ( 4.452 -6.664 2.441) 8.378 8.586 ( 4.176 1.025 -9.024) 9.996 8.654 ( 6.001 -5.688 -6.691) 10.637 9.232 ( 3.685 6.822 2.685) 8.205 9.308 ( 7.342 -2.886 11.559) 13.995 9.384 ( -17.414 0.574 13.251) 21.890 9.473 ( -7.998 -5.345 6.344) 11.523 10.861 ( -11.255 7.055 0.581) 13.297 10.940 ( -10.905 -1.058 -0.993) 11.001 11.532 ( 3.168 6.186 -4.257) 8.150 11.633 ( 4.045 -2.961 -7.538) 9.052 11.859 ( -5.952 10.383 1.724) 12.092 12.022 ( -7.899 -5.364 3.261) 10.089 13.390 ( 17.050 5.439 -3.234) 18.186 13.538 ( 19.741 -9.310 -5.543) 22.519 14.251 ( -4.645 3.850 4.252) 7.381 14.361 ( -3.424 -6.613 2.185) 7.760 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.38 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 7.842 13.833 -1.475) 15.969 1.666 ( 1.766 4.976 -1.012) 5.376 1.789 ( 7.256 -2.394 -2.435) 8.020 1.826 ( 3.614 -14.667 -2.049) 15.244 2.074 ( 7.862 -1.771 -4.595) 9.277 2.135 ( 10.908 -6.386 -3.471) 13.108 2.519 ( -4.161 3.855 -3.557) 6.695 2.620 ( -5.658 -5.811 -2.033) 8.361 3.144 ( 9.594 8.292 0.737) 12.702 3.271 ( 6.195 -3.823 -0.968) 7.343 3.419 ( -1.439 2.030 3.189) 4.044 3.447 ( -0.088 -0.729 3.696) 3.769 3.977 ( -0.997 14.259 3.403) 14.694 4.070 ( -2.707 9.380 -2.324) 10.036 4.300 ( -6.734 -1.922 4.550) 8.351 4.390 ( -6.986 -6.341 1.985) 9.641 4.783 ( -0.499 7.541 -1.553) 7.716 4.847 ( 1.086 -0.114 -1.777) 2.086 4.969 ( -6.363 2.275 3.616) 7.664 5.057 ( -6.452 -5.699 3.656) 9.353 5.649 ( 4.636 15.034 -0.260) 15.735 5.801 ( -2.057 7.481 2.283) 8.087 5.989 ( 2.031 -10.619 0.612) 10.829 6.014 ( 2.195 -16.012 -0.357) 16.166 6.621 ( 0.793 7.485 -5.992) 9.621 6.747 ( 0.010 -0.965 -1.407) 1.707 6.782 ( -1.376 3.551 -2.488) 4.549 6.937 ( -4.119 -8.549 -5.072) 10.760 7.574 ( 5.986 11.095 -6.346) 14.114 7.703 ( 2.369 6.666 -2.903) 7.647 7.848 ( 2.152 -3.911 -2.217) 4.984 8.072 ( 3.389 -17.617 -4.359) 18.462 8.600 ( 0.013 4.273 -2.319) 4.862 8.730 ( 2.677 -9.020 0.316) 9.414 8.914 ( -13.909 3.913 5.695) 15.531 9.034 ( -13.082 -8.184 7.928) 17.349 9.689 ( 21.370 4.349 11.190) 24.511 9.788 ( 21.472 -4.948 11.165) 24.702 10.558 ( -17.112 6.466 5.284) 19.040 10.649 ( -16.534 -2.445 2.787) 16.944 11.600 ( 3.277 7.937 -3.997) 9.472 11.714 ( 3.585 -2.528 -5.071) 6.705 11.755 ( -4.144 8.997 -0.734) 9.933 11.886 ( -5.171 -3.422 0.443) 6.216 13.711 ( 13.176 7.017 -2.949) 15.217 13.884 ( 13.154 -9.683 -4.716) 17.001 14.129 ( -6.806 5.056 1.465) 8.604 14.266 ( -5.623 -7.870 0.061) 9.673 ======================= Grid point 94 (40/120) ======================= q-point: (-0.50 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -4.471 10.411 0.496) 11.341 1.621 ( 4.471 10.411 0.496) 11.341 1.865 ( -0.462 -12.839 -1.274) 12.910 1.865 ( 0.462 -12.839 -1.274) 12.910 2.316 ( -12.697 3.091 -7.390) 15.013 2.316 ( 12.697 3.091 -7.390) 15.013 2.406 ( -12.918 -5.307 -5.355) 14.958 2.406 ( 12.918 -5.307 -5.355) 14.958 3.336 ( -6.329 4.653 2.292) 8.183 3.336 ( 6.329 4.653 2.292) 8.183 3.407 ( -4.190 -2.108 0.721) 4.746 3.407 ( 4.190 -2.108 0.721) 4.746 4.006 ( -3.635 15.607 0.852) 16.047 4.006 ( 3.635 15.607 0.852) 16.047 4.250 ( -3.877 -6.909 3.363) 8.607 4.250 ( 3.877 -6.909 3.363) 8.607 4.826 ( -3.563 6.079 2.227) 7.390 4.826 ( 3.563 6.079 2.227) 7.390 4.942 ( -3.968 -5.118 1.408) 6.627 4.942 ( 3.968 -5.118 1.408) 6.627 5.741 ( -3.683 13.107 2.110) 13.777 5.741 ( 3.683 13.107 2.110) 13.777 6.024 ( -0.994 -14.020 0.936) 14.086 6.024 ( 0.994 -14.020 0.936) 14.086 6.678 ( -4.138 7.972 -6.914) 11.335 6.678 ( 4.138 7.972 -6.914) 11.335 6.834 ( -4.684 -7.161 -4.694) 9.760 6.834 ( 4.684 -7.161 -4.694) 9.760 7.692 ( -4.248 12.527 -2.648) 13.490 7.692 ( 4.248 12.527 -2.648) 13.490 7.970 ( -9.027 -13.279 -7.168) 17.585 7.970 ( 9.027 -13.279 -7.168) 17.585 8.694 ( -7.894 2.813 4.867) 9.691 8.694 ( 7.894 2.813 4.867) 9.691 8.828 ( -6.956 -10.166 6.493) 13.924 8.828 ( 6.956 -10.166 6.493) 13.924 10.148 ( -21.084 5.639 8.091) 23.276 10.148 ( 21.084 5.639 8.091) 23.276 10.248 ( -20.925 -3.888 7.044) 22.418 10.248 ( 20.925 -3.888 7.044) 22.418 11.673 ( -3.590 8.761 -2.819) 9.879 11.673 ( 3.590 8.761 -2.820) 9.879 11.792 ( -3.841 -2.722 -2.364) 5.268 11.792 ( 3.841 -2.722 -2.364) 5.268 13.951 ( -9.461 6.864 -1.177) 11.748 13.951 ( 9.461 6.864 -1.177) 11.748 14.118 ( -8.473 -9.298 -2.400) 12.806 14.118 ( 8.473 -9.298 -2.400) 12.806 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.000 0.000 16.449) 16.449 1.169 ( 0.000 0.000 25.925) 25.925 1.199 ( 0.000 0.000 26.431) 26.431 1.750 ( 0.000 0.000 1.912) 1.912 1.883 ( 0.000 0.000 2.789) 2.789 2.082 ( 0.000 0.000 -0.187) 0.187 2.358 ( 0.000 0.000 10.983) 10.983 2.755 ( 0.000 0.000 -7.159) 7.159 2.921 ( 0.000 0.000 -4.137) 4.137 3.114 ( 0.000 0.000 -4.574) 4.574 3.257 ( 0.000 0.000 -3.734) 3.734 3.315 ( 0.000 0.000 -8.304) 8.304 3.838 ( 0.000 0.000 10.345) 10.345 4.039 ( 0.000 0.000 -3.882) 3.882 4.120 ( 0.000 0.000 3.229) 3.229 4.290 ( 0.000 0.000 5.810) 5.810 4.768 ( 0.000 0.000 2.419) 2.419 4.855 ( 0.000 0.000 15.967) 15.967 5.436 ( 0.000 0.000 -0.069) 0.069 5.632 ( 0.000 0.000 -5.077) 5.077 5.777 ( 0.000 0.000 2.437) 2.437 5.963 ( 0.000 0.000 1.685) 1.685 6.091 ( 0.000 0.000 0.385) 0.385 6.263 ( 0.000 0.000 -7.627) 7.627 6.466 ( 0.000 0.000 -14.751) 14.751 6.758 ( 0.000 0.000 -1.466) 1.466 6.768 ( 0.000 0.000 5.547) 5.547 6.854 ( 0.000 0.000 5.985) 5.985 7.665 ( 0.000 0.000 -7.022) 7.022 7.828 ( 0.000 0.000 15.103) 15.103 7.843 ( 0.000 0.000 5.732) 5.732 8.119 ( 0.000 0.000 0.070) 0.070 8.317 ( 0.000 0.000 -6.587) 6.587 8.387 ( 0.000 0.000 0.981) 0.981 8.846 ( 0.000 0.000 -3.444) 3.444 9.238 ( 0.000 0.000 -6.352) 6.352 9.656 ( 0.000 0.000 -13.137) 13.137 10.125 ( 0.000 0.000 11.156) 11.156 10.509 ( 0.000 0.000 1.827) 1.827 11.009 ( 0.000 0.000 -1.787) 1.787 11.304 ( 0.000 0.000 -15.795) 15.795 11.404 ( 0.000 0.000 -6.520) 6.520 11.745 ( 0.000 0.000 7.751) 7.751 12.462 ( 0.000 0.000 2.555) 2.555 12.689 ( 0.000 0.000 2.786) 2.786 12.885 ( 0.000 0.000 3.327) 3.327 14.693 ( 0.000 0.000 1.868) 1.868 14.932 ( 0.000 0.000 -0.394) 0.394 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -14.620 0.000 23.706) 27.851 0.785 ( 7.843 0.000 14.312) 16.320 1.739 ( -1.035 0.000 1.321) 1.678 1.771 ( 16.202 0.000 11.711) 19.992 1.862 ( 10.449 0.000 9.577) 14.174 2.134 ( 4.702 0.000 -0.328) 4.713 2.510 ( 10.376 0.000 7.478) 12.790 2.684 ( -5.079 0.000 -4.071) 6.509 2.907 ( -1.060 0.000 -4.345) 4.473 3.090 ( -2.316 0.000 -4.483) 5.046 3.241 ( -1.442 0.000 -4.015) 4.266 3.330 ( 0.826 0.000 -8.049) 8.091 3.830 ( -0.659 0.000 10.493) 10.513 3.940 ( -7.070 0.000 1.315) 7.192 4.101 ( -3.678 0.000 1.589) 4.006 4.257 ( -3.432 0.000 6.769) 7.590 4.754 ( -0.807 0.000 2.523) 2.649 4.881 ( 2.159 0.000 14.644) 14.802 5.372 ( -4.555 0.000 0.816) 4.628 5.584 ( -6.231 0.000 -2.909) 6.877 5.767 ( -18.620 0.000 5.164) 19.323 5.876 ( 7.917 0.000 -1.046) 7.985 5.989 ( -11.820 0.000 1.153) 11.876 6.126 ( 3.363 0.000 0.313) 3.378 6.414 ( -4.930 0.000 -13.823) 14.676 6.755 ( 3.029 0.000 4.724) 5.611 6.782 ( 0.721 0.000 -2.250) 2.362 6.962 ( 2.115 0.000 -0.931) 2.311 7.608 ( -4.655 0.000 -5.167) 6.954 7.711 ( -5.423 0.000 3.217) 6.305 7.892 ( 3.640 0.000 5.524) 6.615 8.176 ( 5.890 0.000 2.656) 6.461 8.578 ( 16.333 0.000 0.472) 16.340 8.619 ( 17.677 0.000 2.381) 17.836 8.807 ( -1.640 0.000 -7.242) 7.425 9.269 ( 3.001 0.000 -5.313) 6.102 9.652 ( 0.129 0.000 -13.185) 13.186 10.087 ( -3.537 0.000 10.873) 11.434 10.506 ( -0.959 0.000 14.876) 14.907 10.953 ( -5.286 0.000 -1.753) 5.569 11.209 ( -6.397 0.000 -11.387) 13.061 11.373 ( -6.384 0.000 1.615) 6.585 11.493 ( -5.800 0.000 0.716) 5.844 12.461 ( -12.497 0.000 4.805) 13.389 12.844 ( 18.857 0.000 -4.097) 19.297 13.253 ( 25.134 0.000 -6.964) 26.081 14.630 ( -6.435 0.000 1.925) 6.717 14.840 ( -6.771 0.000 0.898) 6.830 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 18.263 0.000 -1.064) 18.294 0.996 ( 11.332 0.000 10.509) 15.455 1.702 ( -2.670 0.000 0.775) 2.780 1.872 ( 7.410 0.000 -7.415) 10.483 2.271 ( 7.955 0.000 -1.053) 8.024 2.312 ( 9.379 0.000 5.695) 10.973 2.536 ( 3.645 0.000 -2.248) 4.282 2.779 ( 8.919 0.000 10.466) 13.751 2.886 ( -1.028 0.000 -4.964) 5.069 3.018 ( -4.053 0.000 -4.111) 5.773 3.199 ( -2.398 0.000 -4.733) 5.305 3.332 ( -0.260 0.000 -4.635) 4.643 3.778 ( -7.984 0.000 4.858) 9.346 3.816 ( -0.601 0.000 10.688) 10.705 3.957 ( -9.208 0.000 2.979) 9.678 4.138 ( -7.529 0.000 8.708) 11.512 4.763 ( 2.164 0.000 2.341) 3.188 4.923 ( 1.290 0.000 13.126) 13.190 5.272 ( -14.703 0.000 8.312) 16.890 5.281 ( -3.996 0.000 0.340) 4.010 5.569 ( -4.046 0.000 -2.472) 4.741 5.792 ( -8.322 0.000 -0.124) 8.323 6.049 ( 6.849 0.000 -6.667) 9.559 6.228 ( 5.000 0.000 -1.414) 5.196 6.279 ( -5.507 0.000 -8.017) 9.727 6.737 ( -4.573 0.000 -5.467) 7.127 6.843 ( 4.153 0.000 1.943) 4.585 6.966 ( -0.283 0.000 3.221) 3.234 7.507 ( -4.053 0.000 -4.387) 5.972 7.735 ( 7.091 0.000 4.149) 8.215 7.893 ( -3.774 0.000 1.174) 3.953 8.378 ( 12.377 0.000 1.052) 12.422 8.607 ( -7.727 0.000 0.498) 7.743 8.969 ( 12.119 0.000 0.838) 12.148 9.056 ( 17.592 0.000 -5.418) 18.408 9.379 ( 8.312 0.000 -3.641) 9.074 9.696 ( 5.398 0.000 -9.440) 10.874 9.981 ( -6.075 0.000 9.994) 11.695 10.480 ( -0.706 0.000 30.684) 30.693 10.786 ( -10.397 0.000 -1.641) 10.526 11.142 ( -1.138 0.000 -3.629) 3.803 11.238 ( -3.536 0.000 -3.681) 5.105 11.462 ( -0.196 0.000 -6.606) 6.609 12.191 ( -12.871 0.000 5.756) 14.099 13.188 ( 14.808 0.000 -3.058) 15.120 13.750 ( 19.790 0.000 -11.411) 22.844 14.421 ( -12.112 0.000 1.535) 12.208 14.705 ( -6.037 0.000 -0.522) 6.059 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 25.045 0.000 -12.777) 28.116 1.241 ( 11.322 0.000 7.066) 13.346 1.616 ( -5.624 0.000 1.726) 5.883 2.107 ( 7.793 0.000 -10.205) 12.840 2.142 ( -8.677 0.000 -13.802) 16.303 2.457 ( 9.291 0.000 -2.296) 9.570 2.696 ( -4.287 0.000 -6.389) 7.694 2.818 ( -6.235 0.000 -4.728) 7.825 2.980 ( 1.512 0.000 -4.594) 4.837 3.000 ( 15.876 0.000 14.391) 21.428 3.137 ( -3.585 0.000 -5.449) 6.523 3.372 ( 4.529 0.000 3.477) 5.710 3.600 ( -8.823 0.000 6.152) 10.756 3.746 ( -9.937 0.000 2.893) 10.350 3.812 ( 0.510 0.000 10.774) 10.786 3.970 ( -7.356 0.000 10.026) 12.435 4.853 ( 6.294 0.000 1.675) 6.513 4.937 ( 0.769 0.000 11.906) 11.931 5.071 ( -5.595 0.000 8.741) 10.378 5.179 ( -6.305 0.000 0.076) 6.306 5.511 ( -1.179 0.000 -1.679) 2.051 5.633 ( -6.480 0.000 -0.640) 6.512 6.114 ( -0.382 0.000 -11.609) 11.616 6.170 ( -1.828 0.000 -7.737) 7.950 6.396 ( 7.554 0.000 0.693) 7.586 6.632 ( -4.732 0.000 -4.727) 6.689 6.904 ( 1.927 0.000 -3.212) 3.746 6.971 ( 0.055 0.000 6.806) 6.806 7.476 ( 1.937 0.000 -0.088) 1.939 7.760 ( -7.995 0.000 3.466) 8.714 7.943 ( 11.212 0.000 3.374) 11.709 8.411 ( -10.249 0.000 -0.385) 10.257 8.654 ( 12.915 0.000 -4.563) 13.697 9.055 ( -3.216 0.000 -6.693) 7.426 9.343 ( 10.115 0.000 -0.623) 10.134 9.613 ( 7.579 0.000 -1.948) 7.826 9.887 ( 2.200 0.000 6.624) 6.980 9.922 ( 14.849 0.000 3.624) 15.285 10.442 ( -4.827 0.000 27.278) 27.702 10.516 ( -14.917 0.000 -1.389) 14.982 11.110 ( 0.298 0.000 -2.305) 2.325 11.229 ( -0.558 0.000 -0.308) 0.637 11.495 ( 4.521 0.000 -5.841) 7.386 11.917 ( -12.778 0.000 4.796) 13.648 13.496 ( 14.415 0.000 -1.728) 14.519 14.029 ( -0.411 0.000 1.085) 1.160 14.213 ( 0.231 0.000 -9.710) 9.713 14.566 ( -7.298 0.000 -3.706) 8.185 ======================= Grid point 130 (45/120) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -9.048 0.000 4.069) 9.921 1.460 ( 9.048 0.000 4.069) 9.921 1.738 ( -21.585 0.000 -14.503) 26.004 1.738 ( 21.585 0.000 -14.503) 26.004 2.448 ( -15.570 0.000 -11.306) 19.242 2.448 ( 15.570 0.000 -11.306) 19.242 2.652 ( -8.812 0.000 -3.605) 9.521 2.652 ( 8.812 0.000 -3.605) 9.521 3.050 ( -4.281 0.000 -5.451) 6.931 3.050 ( 4.281 0.000 -5.451) 6.931 3.326 ( -12.669 0.000 10.417) 16.402 3.326 ( 12.669 0.000 10.417) 16.402 3.556 ( -7.343 0.000 3.128) 7.982 3.556 ( 7.343 0.000 3.128) 7.982 3.852 ( -3.596 0.000 10.612) 11.204 3.852 ( 3.596 0.000 10.612) 11.204 4.981 ( -3.288 0.000 10.484) 10.987 4.981 ( 3.288 0.000 10.484) 10.987 5.016 ( -8.412 0.000 0.729) 8.444 5.016 ( 8.412 0.000 0.729) 8.444 5.530 ( -2.984 0.000 -0.967) 3.137 5.530 ( 2.984 0.000 -0.967) 3.137 6.128 ( -2.046 0.000 -10.242) 10.444 6.128 ( 2.046 0.000 -10.242) 10.444 6.532 ( -5.196 0.000 -1.566) 5.427 6.532 ( 5.196 0.000 -1.566) 5.427 6.946 ( -2.012 0.000 0.424) 2.056 6.946 ( 2.012 0.000 0.424) 2.056 7.586 ( -7.619 0.000 4.111) 8.658 7.586 ( 7.619 0.000 4.111) 8.658 8.183 ( -11.155 0.000 1.109) 11.210 8.183 ( 11.155 0.000 1.109) 11.210 8.902 ( -10.063 0.000 -7.951) 12.825 8.902 ( 10.063 0.000 -7.951) 12.825 9.539 ( -8.536 0.000 2.359) 8.856 9.539 ( 8.536 0.000 2.359) 8.856 10.166 ( -17.430 0.000 -0.519) 17.438 10.166 ( 17.430 0.000 -0.519) 17.438 10.241 ( -13.501 0.000 14.999) 20.181 10.241 ( 13.501 0.000 14.999) 20.181 11.170 ( -4.123 0.000 0.284) 4.133 11.170 ( 4.123 0.000 0.284) 4.133 11.663 ( -10.658 0.000 0.617) 10.676 11.663 ( 10.658 0.000 0.617) 10.676 13.798 ( -13.935 0.000 0.851) 13.961 13.798 ( 13.935 0.000 0.851) 13.961 14.389 ( -9.431 0.000 -7.920) 12.316 14.389 ( 9.431 0.000 -7.920) 12.316 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.000 11.459 13.113) 17.414 1.206 ( 0.000 3.744 24.618) 24.901 1.317 ( 0.000 12.233 22.345) 25.474 1.709 ( 0.000 -4.084 2.173) 4.626 1.890 ( 0.000 0.685 2.296) 2.396 2.118 ( 0.000 0.838 1.865) 2.045 2.294 ( 0.000 -6.280 12.419) 13.917 2.729 ( 0.000 -0.885 -7.089) 7.144 2.906 ( 0.000 -5.865 -4.074) 7.141 3.147 ( 0.000 8.033 -3.491) 8.759 3.322 ( 0.000 -0.471 -8.353) 8.367 3.377 ( 0.000 9.906 -8.452) 13.022 3.731 ( 0.000 -2.579 11.411) 11.699 4.081 ( 0.000 -1.520 7.005) 7.168 4.301 ( 0.000 16.974 -7.823) 18.690 4.425 ( 0.000 10.761 2.532) 11.054 4.758 ( 0.000 -1.237 0.131) 1.244 4.802 ( 0.000 -4.682 14.391) 15.133 5.481 ( 0.000 3.819 0.849) 3.912 5.485 ( 0.000 -10.405 -5.995) 12.008 5.829 ( 0.000 2.012 5.883) 6.218 5.946 ( 0.000 -1.796 2.840) 3.361 6.132 ( 0.000 -10.102 -2.686) 10.453 6.171 ( 0.000 7.602 -2.406) 7.974 6.417 ( 0.000 -6.603 -9.897) 11.897 6.699 ( 0.000 -3.588 -1.495) 3.887 6.776 ( 0.000 0.601 6.217) 6.246 6.898 ( 0.000 2.913 0.851) 3.035 7.700 ( 0.000 1.686 -4.815) 5.101 7.742 ( 0.000 -7.549 10.854) 13.221 7.834 ( 0.000 -1.324 3.285) 3.542 8.106 ( 0.000 -1.409 -0.236) 1.428 8.220 ( 0.000 -9.184 2.236) 9.452 8.287 ( 0.000 -2.871 -5.489) 6.194 9.074 ( 0.000 14.435 -7.597) 16.312 9.190 ( 0.000 -2.289 -4.888) 5.397 9.789 ( 0.000 9.486 -0.589) 9.505 10.191 ( 0.000 7.046 -2.151) 7.367 10.325 ( 0.000 -12.174 3.950) 12.799 11.067 ( 0.000 2.635 -16.343) 16.554 11.407 ( 0.000 0.171 -5.495) 5.498 11.459 ( 0.000 8.805 -1.756) 8.979 11.758 ( 0.000 4.364 3.499) 5.593 12.482 ( 0.000 1.783 3.213) 3.675 12.685 ( 0.000 -0.394 2.229) 2.264 12.857 ( 0.000 -2.321 4.070) 4.685 14.665 ( 0.000 -2.609 2.147) 3.379 14.804 ( 0.000 -10.228 4.811) 11.303 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -11.312 5.885 19.231) 23.074 0.969 ( 3.340 15.262 12.476) 19.993 1.674 ( 1.042 -4.213 1.632) 4.637 1.841 ( -1.142 -0.088 1.478) 1.870 1.862 ( 23.692 4.724 17.139) 29.621 2.164 ( 3.639 0.613 1.264) 3.901 2.439 ( 10.730 -7.159 10.949) 16.919 2.669 ( -4.660 0.231 -6.251) 7.801 2.907 ( -0.325 -4.706 -4.178) 6.301 3.136 ( -0.981 8.582 -3.654) 9.379 3.274 ( -3.310 1.490 -7.426) 8.266 3.395 ( 0.366 6.442 -7.466) 9.868 3.731 ( -0.018 -1.841 10.524) 10.684 4.006 ( -6.276 1.126 6.212) 8.901 4.274 ( -2.944 14.541 -3.337) 15.207 4.385 ( -3.925 11.147 2.824) 12.151 4.741 ( -0.780 -1.586 2.162) 2.793 4.838 ( 2.730 -3.794 11.529) 12.440 5.383 ( -6.362 -0.309 0.470) 6.387 5.497 ( -1.367 -6.475 -3.334) 7.411 5.722 ( -16.416 -1.319 6.247) 17.614 5.934 ( 3.925 0.956 3.015) 5.041 5.981 ( -7.597 -0.617 0.549) 7.642 6.186 ( 1.785 6.384 -2.455) 7.069 6.364 ( -3.159 -6.326 -10.623) 12.761 6.712 ( 0.907 -2.846 -1.525) 3.353 6.767 ( 2.025 0.664 4.352) 4.846 6.990 ( 2.174 1.465 -1.529) 3.035 7.601 ( -5.388 -3.731 -1.854) 6.811 7.676 ( -7.646 -2.440 -0.007) 8.026 7.864 ( 5.506 -0.824 2.568) 6.131 8.133 ( 5.099 -5.282 3.250) 8.029 8.404 ( 12.752 -10.456 -2.987) 16.759 8.551 ( 18.219 -3.544 2.410) 18.716 8.972 ( -6.221 8.375 -6.634) 12.364 9.269 ( 5.030 2.105 -5.184) 7.524 9.796 ( 0.947 8.628 1.444) 8.800 10.113 ( -4.619 1.557 2.308) 5.393 10.332 ( -1.328 -7.885 7.138) 10.719 11.081 ( 0.693 6.301 -11.668) 13.279 11.292 ( -12.426 3.327 2.409) 13.088 11.423 ( -3.709 6.193 0.833) 7.266 11.519 ( -5.467 5.060 -1.372) 7.575 12.461 ( -12.684 -0.319 4.669) 13.520 12.850 ( 19.349 0.720 -4.201) 19.813 13.205 ( 23.942 -4.201 -4.998) 24.817 14.595 ( -6.932 -3.374 3.046) 8.289 14.749 ( -4.148 -7.369 3.429) 9.125 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 15.102 4.474 0.681) 15.765 1.121 ( 9.481 10.733 7.434) 16.135 1.689 ( -0.167 -1.917 -0.654) 2.032 1.854 ( 4.981 -1.576 -5.434) 7.538 2.235 ( 7.383 -3.039 0.895) 8.033 2.309 ( 4.440 -1.567 1.107) 4.837 2.596 ( 7.460 4.943 -0.170) 8.951 2.664 ( 4.821 -9.036 7.386) 12.627 2.896 ( 0.137 -2.087 -0.981) 2.310 3.110 ( -1.254 10.182 -4.421) 11.170 3.212 ( -1.625 1.704 -5.316) 5.814 3.375 ( -1.909 4.430 -3.245) 5.814 3.723 ( -1.135 -0.879 7.816) 7.947 3.847 ( -8.296 3.742 5.913) 10.853 4.170 ( -6.359 12.513 3.393) 14.441 4.264 ( -6.966 13.105 3.597) 15.271 4.752 ( 2.147 -1.212 2.980) 3.868 4.895 ( 2.342 -2.759 10.156) 10.782 5.208 ( -10.137 -2.443 3.974) 11.158 5.364 ( -9.260 3.703 4.287) 10.855 5.490 ( -2.542 -6.063 -1.784) 6.812 5.808 ( -7.785 1.547 0.795) 7.977 6.081 ( 6.365 0.899 -4.836) 8.044 6.246 ( 3.589 2.158 -1.630) 4.494 6.288 ( -3.436 0.232 -9.358) 9.972 6.658 ( -5.312 -5.027 -5.046) 8.885 6.854 ( 4.631 1.028 4.208) 6.341 6.988 ( -0.976 1.481 1.252) 2.171 7.504 ( -3.436 -1.956 -4.264) 5.815 7.616 ( 1.656 -8.514 1.873) 8.874 7.914 ( 0.055 1.317 0.977) 1.641 8.339 ( 12.829 -4.931 1.756) 13.856 8.557 ( -2.683 -10.559 -8.727) 13.959 8.827 ( 5.346 2.822 0.981) 6.124 9.028 ( 14.806 -7.281 2.627) 16.707 9.394 ( 7.639 0.811 -3.699) 8.526 9.828 ( 1.242 2.055 9.559) 9.856 10.043 ( -1.334 9.650 -4.933) 10.920 10.300 ( 0.151 -9.000 18.451) 20.529 10.918 ( -13.976 6.781 8.530) 17.722 11.210 ( 2.985 6.279 -6.522) 9.533 11.337 ( -3.988 8.617 -1.851) 9.674 11.483 ( -0.030 2.295 -6.702) 7.084 12.192 ( -12.635 -0.057 5.291) 13.698 13.199 ( 14.897 1.137 -3.239) 15.288 13.696 ( 20.246 -5.056 -10.685) 23.444 14.389 ( -11.532 -2.750 2.843) 12.192 14.650 ( -5.258 -4.876 0.231) 7.175 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 18.289 0.012 -2.772) 18.498 1.365 ( 14.576 7.339 -2.693) 16.539 1.630 ( -4.749 1.163 1.070) 5.005 2.065 ( 11.119 -4.088 -10.088) 15.560 2.154 ( -10.988 1.113 -13.128) 17.155 2.383 ( 6.914 -7.126 -1.763) 10.084 2.658 ( -4.701 -9.301 -0.500) 10.434 2.706 ( -6.050 -3.280 -8.231) 10.729 3.028 ( 11.850 2.154 8.926) 14.991 3.115 ( 2.701 11.138 -2.317) 11.692 3.215 ( 1.310 7.718 -4.002) 8.792 3.371 ( 3.461 0.913 4.702) 5.909 3.647 ( -8.052 -0.171 5.316) 9.650 3.673 ( -6.727 4.381 5.570) 9.771 4.048 ( -4.004 12.117 7.468) 14.786 4.118 ( -6.154 15.018 4.897) 16.953 4.828 ( 4.539 -2.390 4.490) 6.817 4.945 ( 3.088 0.350 7.930) 8.517 5.032 ( -5.812 -3.024 5.914) 8.826 5.210 ( -6.764 2.095 2.295) 7.443 5.469 ( 0.460 -3.296 -1.510) 3.655 5.646 ( -7.242 1.917 0.357) 7.500 6.144 ( 0.717 2.547 -11.289) 11.595 6.243 ( -1.695 6.038 -7.844) 10.043 6.349 ( 5.709 -3.864 -0.254) 6.898 6.544 ( -4.578 -7.584 -4.080) 9.753 6.924 ( 1.921 1.250 -1.588) 2.788 6.975 ( -0.451 -0.026 5.184) 5.204 7.481 ( 1.604 0.370 -0.374) 1.688 7.639 ( -1.761 -9.434 2.385) 9.889 7.958 ( 5.802 -0.030 1.112) 5.908 8.378 ( -10.910 -4.545 -5.929) 13.223 8.614 ( 11.955 -4.868 -2.702) 13.188 8.897 ( 0.040 -6.025 -3.289) 6.864 9.301 ( 9.671 -7.945 3.396) 12.968 9.563 ( 2.882 -6.517 1.076) 7.206 9.866 ( 7.469 -0.253 9.744) 12.280 10.102 ( 6.107 14.484 -0.787) 15.739 10.337 ( 1.582 -4.879 17.097) 17.850 10.604 ( -15.271 5.039 8.355) 18.122 11.230 ( -0.944 10.061 -2.369) 10.379 11.285 ( -1.382 5.058 -0.480) 5.266 11.530 ( 5.118 3.036 -6.555) 8.854 11.928 ( -12.069 0.913 3.891) 12.713 13.507 ( 14.317 1.160 -1.993) 14.502 14.014 ( 3.891 -1.809 -1.156) 4.444 14.167 ( -3.001 -3.820 -6.725) 8.296 14.519 ( -7.261 -4.465 -3.203) 9.106 ======================= Grid point 139 (50/120) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -8.842 0.423 3.170) 9.403 1.460 ( 8.842 0.423 3.170) 9.403 1.780 ( -19.112 3.557 -13.687) 23.775 1.780 ( 19.112 3.557 -13.687) 23.775 2.396 ( -13.351 -5.298 -10.151) 17.589 2.396 ( 13.351 -5.298 -10.151) 17.589 2.562 ( -4.945 -7.767 -3.295) 9.779 2.562 ( 4.945 -7.767 -3.295) 9.779 3.134 ( -2.279 7.521 -4.045) 8.839 3.134 ( 2.279 7.521 -4.045) 8.839 3.401 ( -11.351 6.802 8.624) 15.795 3.401 ( 11.351 6.802 8.624) 15.795 3.525 ( -6.483 -0.629 4.316) 7.814 3.525 ( 6.483 -0.629 4.316) 7.814 4.027 ( -1.976 13.767 6.983) 15.563 4.027 ( 1.976 13.767 6.983) 15.563 4.925 ( -4.479 -3.451 6.619) 8.706 4.925 ( 4.479 -3.451 6.619) 8.706 5.060 ( -6.908 1.926 3.641) 8.042 5.060 ( 6.908 1.926 3.641) 8.042 5.519 ( -4.360 -0.133 -0.458) 4.386 5.519 ( 4.360 -0.133 -0.458) 4.386 6.184 ( -3.087 5.032 -10.668) 12.193 6.184 ( 3.087 5.032 -10.668) 12.193 6.458 ( -4.254 -6.745 -1.266) 8.074 6.458 ( 4.254 -6.745 -1.266) 8.074 6.956 ( -1.310 0.150 0.629) 1.461 6.956 ( 1.310 0.150 0.629) 1.461 7.557 ( -4.700 -2.420 3.237) 6.199 7.557 ( 4.700 -2.420 3.237) 6.199 8.143 ( -10.631 -4.123 -2.663) 11.709 8.143 ( 10.631 -4.123 -2.663) 11.709 8.820 ( -7.013 -5.597 -4.093) 9.861 8.820 ( 7.013 -5.597 -4.093) 9.861 9.476 ( -7.334 -8.446 2.962) 11.571 9.476 ( 7.334 -8.446 2.962) 11.571 10.133 ( -10.123 2.503 7.654) 12.935 10.133 ( 10.123 2.503 7.654) 12.935 10.351 ( -4.278 5.935 8.902) 11.523 10.351 ( 4.278 5.935 8.902) 11.523 11.241 ( -2.050 6.418 -0.586) 6.763 11.241 ( 2.050 6.418 -0.586) 6.763 11.693 ( -9.771 2.584 -0.560) 10.123 11.693 ( 9.771 2.584 -0.560) 10.123 13.805 ( -13.647 0.775 0.506) 13.679 13.805 ( 13.647 0.775 0.506) 13.679 14.339 ( -9.728 -4.777 -7.303) 13.068 14.339 ( 9.728 -4.777 -7.303) 13.068 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 9.152 10.975) 14.290 1.325 ( 0.000 8.089 21.380) 22.859 1.590 ( 0.000 -7.419 2.539) 7.842 1.659 ( 0.000 18.751 12.903) 22.762 1.906 ( 0.000 0.843 2.086) 2.250 2.056 ( 0.000 -6.955 11.357) 13.317 2.131 ( 0.000 -7.981 7.341) 10.844 2.706 ( 0.000 -12.227 -1.194) 12.286 2.759 ( 0.000 4.037 -7.551) 8.563 3.252 ( 0.000 -5.300 -7.535) 9.212 3.404 ( 0.000 12.734 -2.587) 12.994 3.562 ( 0.000 6.307 1.977) 6.609 3.814 ( 0.000 10.843 -1.354) 10.928 4.096 ( 0.000 3.347 9.535) 10.106 4.614 ( 0.000 12.853 -10.885) 16.843 4.673 ( 0.000 9.524 1.205) 9.600 4.685 ( 0.000 -6.345 11.234) 12.902 4.698 ( 0.000 -2.023 -6.682) 6.981 5.282 ( 0.000 -8.286 -6.713) 10.664 5.555 ( 0.000 2.163 0.959) 2.366 5.850 ( 0.000 0.651 9.730) 9.751 5.898 ( 0.000 -2.685 1.985) 3.339 5.915 ( 0.000 -10.546 -1.028) 10.596 6.206 ( 0.000 -12.235 -1.459) 12.322 6.371 ( 0.000 11.556 -3.491) 12.072 6.672 ( 0.000 0.980 3.376) 3.515 6.785 ( 0.000 0.031 8.071) 8.071 6.930 ( 0.000 -0.524 -5.349) 5.374 7.571 ( 0.000 -8.293 4.341) 9.360 7.597 ( 0.000 -10.122 1.398) 10.218 7.871 ( 0.000 4.290 -2.020) 4.742 8.057 ( 0.000 -3.312 -1.258) 3.543 8.117 ( 0.000 -1.703 -0.328) 1.734 8.220 ( 0.000 -3.179 -3.835) 4.981 9.185 ( 0.000 1.572 0.341) 1.609 9.276 ( 0.000 4.722 -2.627) 5.404 9.946 ( 0.000 5.646 11.084) 12.439 10.141 ( 0.000 -5.383 -1.266) 5.530 10.414 ( 0.000 14.007 -19.539) 24.041 11.082 ( 0.000 -1.792 -20.871) 20.948 11.406 ( 0.000 -0.374 -3.353) 3.374 11.466 ( 0.000 -4.515 8.687) 9.790 12.001 ( 0.000 15.406 -3.975) 15.911 12.512 ( 0.000 0.123 3.824) 3.826 12.684 ( 0.000 0.841 1.568) 1.779 12.813 ( 0.000 -1.723 4.679) 4.986 14.596 ( 0.000 -3.866 3.094) 4.952 14.610 ( 0.000 -7.586 8.432) 11.343 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -7.949 10.104 12.259) 17.763 1.299 ( 1.455 15.829 10.516) 19.060 1.553 ( -0.976 -7.900 0.104) 7.961 1.838 ( -1.049 0.371 2.904) 3.110 1.979 ( 17.057 4.794 11.585) 21.169 2.111 ( 1.160 -5.104 2.842) 5.957 2.261 ( 11.663 -7.792 13.044) 19.155 2.713 ( 0.644 -1.157 -1.327) 1.875 2.754 ( 0.060 -3.496 -6.470) 7.354 3.235 ( -1.463 -4.476 -7.364) 8.741 3.385 ( -1.444 12.372 -2.104) 12.632 3.551 ( -1.111 6.207 2.530) 6.794 3.814 ( -0.251 10.215 -1.438) 10.319 4.059 ( -3.369 4.727 9.157) 10.842 4.544 ( -5.982 10.718 -6.193) 13.748 4.647 ( -2.218 10.849 -1.448) 11.168 4.680 ( 0.066 -2.663 2.708) 3.798 4.740 ( 2.770 -5.317 2.358) 6.442 5.277 ( -0.893 -6.813 -5.778) 8.977 5.457 ( -7.583 0.371 3.261) 8.263 5.712 ( -12.459 -0.075 6.990) 14.286 5.913 ( 1.824 -1.712 4.429) 5.087 5.941 ( 1.264 -3.885 -0.843) 4.172 6.144 ( -2.147 -13.331 -3.238) 13.886 6.368 ( -0.350 10.688 -4.261) 11.511 6.725 ( 3.069 3.366 1.440) 4.777 6.794 ( 1.748 1.720 5.222) 5.769 6.992 ( 2.585 -1.970 -3.797) 4.998 7.434 ( -8.012 -9.178 0.719) 12.204 7.613 ( -2.196 -5.463 -2.925) 6.575 7.878 ( 4.743 1.033 -0.662) 4.899 7.982 ( -2.005 -6.579 0.169) 6.879 8.296 ( 10.018 -1.749 -2.463) 10.463 8.446 ( 17.004 -5.778 1.188) 17.999 9.120 ( -4.871 6.625 -2.562) 8.613 9.325 ( 2.925 1.766 -3.627) 4.983 9.887 ( -5.222 1.330 12.022) 13.174 10.009 ( -6.744 -7.327 10.450) 14.435 10.461 ( 1.868 14.841 -18.002) 23.405 11.144 ( 3.295 -1.190 -13.453) 13.902 11.308 ( -6.609 1.158 2.701) 7.233 11.463 ( -0.379 -0.614 0.780) 1.062 11.791 ( -10.350 16.386 0.148) 19.382 12.427 ( -11.823 -3.505 3.785) 12.900 12.883 ( 18.851 2.668 -3.409) 19.342 13.113 ( 20.328 -4.375 -1.738) 20.866 14.511 ( -6.462 -4.028 5.793) 9.568 14.604 ( -1.881 -6.238 4.156) 7.728 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 10.644 9.995 -0.195) 14.603 1.371 ( 5.123 12.754 4.838) 14.571 1.608 ( 5.536 -5.988 -4.086) 9.121 1.820 ( 0.356 -1.277 -0.752) 1.524 2.127 ( 1.986 -7.356 0.752) 7.657 2.237 ( 3.653 -7.164 1.161) 8.125 2.474 ( 3.994 -4.775 5.292) 8.171 2.733 ( 1.059 2.802 -6.749) 7.384 2.821 ( 8.509 -0.580 6.929) 10.989 3.216 ( 1.155 -1.613 -4.065) 4.523 3.356 ( -1.107 11.289 -1.479) 11.439 3.518 ( -1.666 7.082 3.056) 7.891 3.785 ( -2.914 8.098 -0.731) 8.638 3.967 ( -4.942 8.027 7.454) 12.017 4.389 ( -7.768 9.002 -1.309) 11.962 4.568 ( -5.316 13.396 -3.646) 14.866 4.700 ( 1.961 -4.238 5.779) 7.430 4.812 ( 4.015 -5.170 3.079) 7.234 5.178 ( -8.979 -0.339 1.700) 9.145 5.335 ( -3.442 -4.798 0.383) 5.917 5.471 ( -7.145 3.812 5.286) 9.671 5.849 ( -4.940 2.314 2.701) 6.087 6.043 ( 5.663 -3.925 -0.723) 6.928 6.158 ( 2.498 -11.978 -6.867) 14.031 6.362 ( -0.109 7.449 -4.350) 8.626 6.667 ( -7.881 5.985 -5.626) 11.384 6.876 ( 3.302 0.337 6.537) 7.331 7.000 ( -1.281 -1.340 -2.559) 3.160 7.328 ( -0.034 -9.151 -2.265) 9.427 7.570 ( -1.026 0.469 -3.205) 3.397 7.908 ( -1.464 -3.223 -1.086) 3.702 8.104 ( 9.993 -13.389 -4.187) 17.224 8.451 ( 4.069 0.178 -3.362) 5.281 8.815 ( 15.447 -10.409 5.022) 19.292 9.002 ( -5.598 9.056 -2.074) 10.846 9.380 ( 2.430 -2.356 -3.331) 4.748 9.777 ( -2.816 -3.451 15.951) 16.561 9.995 ( 5.790 -8.868 19.772) 22.430 10.483 ( 0.517 17.840 -10.675) 20.796 11.000 ( -12.912 1.606 8.888) 15.757 11.347 ( 5.496 5.952 -7.390) 10.966 11.456 ( 0.355 1.473 -5.227) 5.442 11.629 ( -5.694 12.462 -1.430) 13.775 12.175 ( -11.698 -2.195 3.936) 12.536 13.237 ( 15.263 2.711 -3.594) 15.913 13.564 ( 20.059 -7.339 -8.130) 22.855 14.337 ( -9.659 -1.714 4.305) 10.713 14.532 ( -4.860 -6.324 1.218) 8.068 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 15.665 6.002 -3.526) 17.142 1.520 ( 8.209 7.329 -1.952) 11.176 1.663 ( -0.466 2.383 -1.169) 2.694 1.943 ( 10.183 -7.796 -8.395) 15.328 2.146 ( -3.197 -5.391 -6.820) 9.262 2.224 ( -0.070 -5.279 -3.823) 6.518 2.428 ( -4.554 -9.413 -1.017) 10.506 2.636 ( -10.058 -5.069 -8.671) 14.214 3.099 ( 13.248 5.022 7.572) 16.065 3.316 ( 4.011 3.523 -0.379) 5.352 3.350 ( 3.754 6.940 2.807) 8.374 3.497 ( 0.227 8.973 3.387) 9.593 3.687 ( -5.677 7.490 0.946) 9.446 3.843 ( -7.394 11.396 3.781) 14.101 4.263 ( -2.867 7.911 2.484) 8.774 4.428 ( -7.424 11.535 -0.255) 13.720 4.763 ( 3.978 -3.177 6.025) 7.888 4.908 ( 4.395 -4.233 2.797) 6.712 5.003 ( -5.810 0.949 4.076) 7.160 5.212 ( -7.170 -2.866 2.629) 8.156 5.459 ( 3.780 4.470 0.508) 5.876 5.726 ( -6.684 5.912 2.355) 9.229 6.151 ( 4.728 -4.088 -3.671) 7.249 6.232 ( 4.103 -8.362 -5.771) 10.957 6.358 ( -0.548 2.313 -3.747) 4.437 6.464 ( -9.617 6.020 -8.870) 14.402 6.897 ( -0.293 -5.226 1.633) 5.483 6.956 ( -2.627 -2.968 -1.214) 4.146 7.421 ( 6.642 -4.207 -1.668) 8.037 7.562 ( -0.265 3.048 -0.036) 3.060 7.903 ( 1.920 -5.805 -2.550) 6.625 8.179 ( -4.727 -12.708 -12.532) 18.463 8.564 ( 8.627 1.223 3.232) 9.294 8.891 ( -5.219 3.117 1.053) 6.169 9.061 ( 8.514 -13.678 5.103) 16.900 9.363 ( -4.995 -11.636 2.684) 12.944 9.898 ( 14.246 3.244 14.647) 20.689 10.194 ( 10.977 -4.014 15.029) 19.039 10.473 ( -2.357 14.203 2.346) 14.587 10.696 ( -15.130 3.820 8.609) 17.822 11.390 ( -0.098 5.602 -1.546) 5.812 11.470 ( -2.630 11.582 -3.977) 12.525 11.594 ( 4.733 2.833 -6.803) 8.758 11.939 ( -10.318 -0.439 1.682) 10.463 13.548 ( 14.191 3.073 -2.733) 14.775 13.928 ( 13.705 -6.785 -6.626) 16.666 14.114 ( -10.563 -0.293 0.396) 10.575 14.400 ( -7.554 -6.809 -2.086) 10.382 ======================= Grid point 148 (55/120) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -7.984 3.879 1.527) 9.007 1.499 ( 7.984 3.879 1.527) 9.007 1.853 ( -14.322 2.556 -11.716) 18.679 1.853 ( 14.322 2.556 -11.716) 18.679 2.235 ( -4.552 -9.124 -6.047) 11.855 2.235 ( 4.552 -9.124 -6.047) 11.855 2.401 ( -6.876 -7.486 -6.065) 11.837 2.401 ( 6.876 -7.486 -6.065) 11.837 3.287 ( -4.319 6.591 0.795) 7.921 3.287 ( 4.319 6.591 0.795) 7.921 3.496 ( -4.414 0.553 7.552) 8.764 3.496 ( 4.414 0.553 7.552) 8.764 3.661 ( -7.434 15.134 0.336) 16.864 3.661 ( 7.434 15.134 0.336) 16.864 4.288 ( -4.758 9.042 2.735) 10.577 4.288 ( 4.758 9.042 2.735) 10.577 4.861 ( -4.982 -2.079 4.817) 7.235 4.861 ( 4.982 -2.079 4.817) 7.235 5.061 ( -6.810 -2.094 2.852) 7.674 5.061 ( 6.810 -2.094 2.852) 7.674 5.577 ( -6.827 6.785 1.108) 9.689 5.577 ( 6.827 6.785 1.108) 9.689 6.262 ( -4.844 -6.786 -4.010) 9.252 6.262 ( 4.844 -6.786 -4.010) 9.252 6.334 ( -0.979 4.134 -7.339) 8.480 6.334 ( 0.979 4.134 -7.339) 8.480 6.906 ( -1.573 -6.015 -0.846) 6.275 6.906 ( 1.573 -6.015 -0.846) 6.275 7.532 ( -3.139 1.376 0.369) 3.447 7.532 ( 3.139 1.376 0.369) 3.447 8.014 ( -8.105 -8.323 -7.447) 13.799 8.014 ( 8.105 -8.323 -7.447) 13.799 8.754 ( -8.036 -0.324 2.330) 8.373 8.754 ( 8.036 -0.324 2.330) 8.373 9.223 ( -7.254 -14.290 4.776) 16.722 9.223 ( 7.254 -14.290 4.776) 16.722 10.247 ( -14.903 6.839 11.669) 20.126 10.247 ( 14.903 6.839 11.669) 20.126 10.441 ( -7.744 2.547 9.542) 12.550 10.441 ( 7.744 2.547 9.542) 12.550 11.406 ( -2.064 9.285 -2.957) 9.961 11.406 ( 2.064 9.285 -2.957) 9.961 11.742 ( -8.261 1.429 -2.748) 8.823 11.742 ( 8.261 1.429 -2.748) 8.823 13.837 ( -12.908 2.599 -0.472) 13.176 13.837 ( 12.908 2.599 -0.472) 13.176 14.210 ( -10.457 -7.554 -5.730) 14.115 14.210 ( 10.457 -7.554 -5.730) 14.115 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.000 8.813 7.487) 11.564 1.419 ( 0.000 -8.632 4.753) 9.855 1.530 ( 0.000 11.334 17.014) 20.443 1.771 ( 0.000 -10.771 13.565) 17.322 1.932 ( 0.000 2.031 2.880) 3.524 1.996 ( 0.000 -3.793 5.215) 6.448 2.117 ( 0.000 15.047 7.820) 16.958 2.433 ( 0.000 -14.672 2.851) 14.946 2.894 ( 0.000 8.946 -7.211) 11.490 3.092 ( 0.000 -9.684 -7.047) 11.976 3.599 ( 0.000 5.379 2.550) 5.953 3.634 ( 0.000 1.204 7.243) 7.342 4.091 ( 0.000 13.817 -8.211) 16.072 4.203 ( 0.000 4.767 4.700) 6.695 4.524 ( 0.000 -8.586 -2.017) 8.820 4.531 ( 0.000 -7.344 9.831) 12.271 4.829 ( 0.000 7.532 -12.334) 14.452 4.890 ( 0.000 3.861 -9.147) 9.929 5.231 ( 0.000 6.133 -4.782) 7.777 5.467 ( 0.000 -11.892 -3.188) 12.312 5.793 ( 0.000 0.105 0.341) 0.357 5.839 ( 0.000 -3.000 1.145) 3.211 5.882 ( 0.000 3.051 10.229) 10.675 5.992 ( 0.000 -8.078 6.657) 10.468 6.622 ( 0.000 12.613 -4.422) 13.365 6.718 ( 0.000 2.876 8.819) 9.276 6.769 ( 0.000 -1.654 9.804) 9.943 6.847 ( 0.000 -8.136 -6.856) 10.640 7.430 ( 0.000 -4.270 0.915) 4.367 7.438 ( 0.000 -4.217 0.532) 4.251 7.943 ( 0.000 2.522 -1.426) 2.897 7.991 ( 0.000 -2.743 -1.468) 3.111 8.119 ( 0.000 1.524 -2.760) 3.153 8.164 ( 0.000 -2.534 -3.300) 4.161 9.236 ( 0.000 3.024 4.532) 5.448 9.292 ( 0.000 -1.942 4.488) 4.890 10.032 ( 0.000 3.125 3.804) 4.923 10.079 ( 0.000 -1.888 -3.621) 4.084 10.711 ( 0.000 14.323 -19.501) 24.196 10.964 ( 0.000 -9.894 -18.283) 20.789 11.394 ( 0.000 -0.622 -0.954) 1.139 11.396 ( 0.000 -1.474 3.519) 3.815 12.279 ( 0.000 11.369 -2.124) 11.566 12.455 ( 0.000 -5.839 1.127) 5.947 12.728 ( 0.000 2.930 3.249) 4.375 12.779 ( 0.000 -1.969 4.399) 4.819 14.515 ( 0.000 -1.829 7.263) 7.489 14.526 ( 0.000 -2.507 4.901) 5.505 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -4.833 11.557 6.114) 13.939 1.360 ( -2.451 -10.772 1.952) 11.218 1.591 ( 3.407 12.997 10.254) 16.902 1.810 ( 0.686 -6.301 6.571) 9.129 1.955 ( 4.066 -2.177 5.264) 6.999 2.001 ( -0.673 -4.955 2.701) 5.684 2.293 ( 12.931 9.314 9.744) 18.679 2.512 ( 6.787 -11.310 4.013) 13.788 2.893 ( 0.343 9.624 -6.704) 11.734 3.092 ( 0.199 -9.127 -6.483) 11.197 3.575 ( -1.970 5.488 2.999) 6.557 3.617 ( -1.450 0.771 7.284) 7.467 4.078 ( -1.404 12.994 -7.444) 15.041 4.181 ( -1.933 4.717 4.130) 6.561 4.523 ( 0.109 -6.177 0.415) 6.192 4.556 ( 1.358 -7.847 7.675) 11.060 4.782 ( -3.546 7.090 -10.177) 12.900 4.844 ( -4.104 2.870 -9.162) 10.441 5.244 ( 0.779 5.595 -4.394) 7.157 5.412 ( -5.470 -6.427 -0.608) 8.462 5.721 ( -7.864 1.515 6.401) 10.253 5.808 ( -0.159 -7.549 0.116) 7.551 5.896 ( 1.597 0.410 4.558) 4.847 5.944 ( -1.926 -4.961 4.495) 6.966 6.605 ( -1.856 12.382 -4.956) 13.465 6.788 ( 2.651 0.556 3.393) 4.342 6.823 ( 4.000 0.775 6.452) 7.631 6.872 ( 2.657 -8.677 -1.794) 9.250 7.350 ( -4.141 1.969 -1.874) 4.953 7.466 ( 1.070 -7.823 -2.972) 8.437 7.883 ( -2.354 0.190 -0.926) 2.537 7.906 ( -3.639 -2.005 -2.080) 4.646 8.295 ( 11.055 1.404 -1.467) 11.240 8.348 ( 13.182 -3.745 -0.587) 13.717 9.239 ( 0.039 5.000 1.172) 5.135 9.317 ( 1.629 -2.440 0.576) 2.990 9.895 ( -10.620 0.143 7.099) 12.774 9.913 ( -10.542 -2.235 7.049) 12.877 10.771 ( 3.525 14.496 -15.248) 21.332 11.022 ( 2.669 -9.848 -11.039) 15.032 11.365 ( 0.095 3.522 -1.646) 3.889 11.429 ( 1.243 -2.603 -0.797) 2.993 12.094 ( -10.945 12.927 1.526) 17.007 12.309 ( -10.686 -8.242 2.564) 13.737 12.953 ( 16.983 3.950 -1.593) 17.509 13.032 ( 17.201 -3.773 -0.620) 17.621 14.464 ( -4.376 -0.248 5.941) 7.383 14.501 ( -2.713 -3.747 4.580) 6.510 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 8.283 12.300 -2.988) 15.127 1.403 ( 6.740 -10.400 -5.030) 13.375 1.660 ( 3.474 11.610 4.639) 12.977 1.807 ( -0.630 -1.265 2.168) 2.588 1.986 ( -0.309 -4.996 0.952) 5.095 2.030 ( 2.434 -9.825 3.000) 10.557 2.495 ( 2.584 4.873 0.748) 5.566 2.626 ( 0.788 -7.398 -1.582) 7.606 2.970 ( 8.834 9.245 1.319) 12.855 3.134 ( 5.035 -6.382 -1.507) 8.267 3.529 ( -2.069 5.422 3.551) 6.803 3.583 ( -1.488 -0.064 7.235) 7.386 4.027 ( -3.285 12.597 -5.444) 14.110 4.133 ( -2.160 5.024 3.267) 6.370 4.469 ( -6.483 -0.202 -2.902) 7.106 4.564 ( -1.654 -8.015 5.894) 10.085 4.751 ( -2.793 3.446 -5.644) 7.179 4.753 ( 1.990 0.737 -3.066) 3.728 5.208 ( -6.217 3.020 0.083) 6.913 5.266 ( -6.473 -2.504 1.616) 7.126 5.592 ( -1.654 9.073 4.387) 10.213 5.847 ( 3.088 -14.289 -0.188) 14.620 5.904 ( 0.426 2.028 1.979) 2.866 5.971 ( 2.789 -4.168 1.507) 5.236 6.549 ( -3.098 10.779 -5.344) 12.424 6.766 ( -3.253 -6.166 -4.526) 8.312 6.831 ( -5.043 2.368 1.388) 5.742 6.920 ( -0.363 -4.141 1.265) 4.345 7.323 ( 3.017 7.532 -5.880) 10.020 7.512 ( 3.506 -8.042 -7.044) 11.251 7.831 ( -1.917 0.376 -1.372) 2.387 7.921 ( 3.241 -6.530 -2.131) 7.595 8.497 ( 7.478 4.107 0.504) 8.546 8.619 ( 10.897 -8.015 3.062) 13.870 9.176 ( -7.353 7.464 -4.340) 11.341 9.303 ( -4.451 -5.101 -4.168) 7.951 9.754 ( 1.851 1.736 18.684) 18.855 9.840 ( 5.817 -6.274 20.176) 21.915 10.802 ( -1.330 12.618 -5.650) 13.889 10.976 ( -7.261 -4.547 2.948) 9.061 11.430 ( 4.845 2.352 -6.882) 8.739 11.458 ( 2.303 -0.729 -5.803) 6.285 11.888 ( -8.460 11.853 0.712) 14.579 12.083 ( -10.125 -7.081 2.193) 12.548 13.311 ( 16.236 4.558 -3.997) 17.331 13.421 ( 18.171 -6.369 -5.306) 19.973 14.337 ( -7.424 1.893 3.753) 8.531 14.411 ( -5.720 -5.162 2.349) 8.055 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 13.171 10.141 -6.023) 17.680 1.591 ( 8.464 -3.433 -6.354) 11.126 1.741 ( 2.817 4.483 -1.102) 5.408 1.795 ( 1.002 -3.937 -0.352) 4.078 2.008 ( 3.195 -3.716 -1.863) 5.243 2.080 ( 3.384 -8.733 -1.516) 9.488 2.394 ( -9.929 4.225 -8.067) 13.472 2.512 ( -10.383 -6.605 -8.482) 14.946 3.214 ( 11.544 5.582 5.582) 13.985 3.303 ( 9.313 -2.859 4.121) 10.578 3.488 ( -2.200 4.998 3.991) 6.764 3.552 ( -1.868 -1.277 6.399) 6.787 3.965 ( -1.412 15.298 -3.033) 15.660 4.097 ( -1.838 9.367 2.125) 9.780 4.303 ( -6.712 -1.669 -2.360) 7.308 4.446 ( -8.004 -8.730 0.091) 11.844 4.780 ( 4.289 3.907 1.726) 6.053 4.839 ( 5.252 -2.213 1.322) 5.850 5.045 ( -7.265 3.084 3.204) 8.518 5.126 ( -6.938 -4.610 2.518) 8.703 5.652 ( 5.826 13.546 0.834) 14.769 5.864 ( -1.710 6.062 3.573) 7.241 5.969 ( 4.766 -13.625 -2.018) 14.574 6.028 ( 2.283 -7.382 1.209) 7.821 6.489 ( -2.036 9.394 -6.446) 11.573 6.645 ( -8.696 9.339 -9.019) 15.626 6.712 ( -2.599 -11.104 -3.369) 11.891 6.835 ( -6.254 -8.155 -4.076) 11.056 7.462 ( 8.586 7.118 -4.066) 11.871 7.614 ( 5.851 -3.302 -4.446) 8.056 7.790 ( -2.441 0.985 -3.435) 4.327 7.945 ( -2.567 -10.363 -6.761) 12.637 8.637 ( 6.904 5.802 4.706) 10.172 8.802 ( 7.295 -10.592 5.633) 14.040 8.988 ( -8.962 5.926 2.087) 10.945 9.142 ( -8.855 -9.421 2.790) 13.227 9.987 ( 17.024 5.228 16.722) 24.429 10.096 ( 15.927 -5.324 16.800) 23.754 10.691 ( -9.633 6.536 5.804) 13.008 10.745 ( -13.596 0.511 7.928) 15.747 11.498 ( 3.459 4.992 -5.391) 8.121 11.574 ( 6.561 -1.620 -8.180) 10.611 11.728 ( -6.749 9.815 -1.957) 12.071 11.886 ( -8.466 -5.215 -0.573) 9.960 13.636 ( 14.383 5.632 -3.931) 15.938 13.773 ( 14.820 -7.671 -5.722) 17.641 14.153 ( -9.884 3.849 0.782) 10.636 14.261 ( -8.457 -6.494 -0.667) 10.683 ======================= Grid point 157 (60/120) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -5.341 8.270 -0.767) 9.875 1.624 ( 5.341 8.270 -0.767) 9.875 1.805 ( -2.980 -7.875 -5.086) 9.837 1.805 ( 2.980 -7.875 -5.086) 9.837 2.149 ( -8.859 2.139 -7.680) 11.918 2.149 ( 8.859 2.139 -7.680) 11.918 2.255 ( -10.975 -6.833 -8.061) 15.235 2.255 ( 10.975 -6.833 -8.061) 15.235 3.402 ( -5.615 4.792 3.938) 8.366 3.402 ( 5.615 4.792 3.938) 8.366 3.477 ( -5.406 -2.397 5.958) 8.395 3.477 ( 5.406 -2.397 5.958) 8.395 4.008 ( -5.154 17.211 -0.915) 17.989 4.008 ( 5.154 17.211 -0.915) 17.989 4.291 ( -5.134 -8.815 0.111) 10.202 4.291 ( 5.134 -8.815 0.111) 10.202 4.886 ( -4.677 4.366 3.130) 7.123 4.886 ( 4.677 4.366 3.130) 7.123 4.987 ( -5.312 -4.750 2.619) 7.592 4.987 ( 5.312 -4.750 2.619) 7.592 5.785 ( -5.647 12.615 1.685) 13.924 5.785 ( 5.647 12.615 1.685) 13.924 6.044 ( -1.442 -12.250 0.662) 12.352 6.044 ( 1.442 -12.250 0.662) 12.352 6.499 ( -3.822 9.856 -9.405) 14.149 6.499 ( 3.822 9.856 -9.405) 14.149 6.719 ( -3.386 -11.201 -5.665) 13.001 6.719 ( 3.386 -11.201 -5.665) 13.001 7.633 ( -6.191 8.026 -2.798) 10.516 7.633 ( 6.191 8.026 -2.798) 10.516 7.824 ( -7.004 -9.997 -6.280) 13.727 7.824 ( 7.004 -9.997 -6.280) 13.727 8.804 ( -8.420 5.084 5.285) 11.166 8.804 ( 8.420 5.084 5.285) 11.166 8.962 ( -7.965 -10.607 5.843) 14.495 8.962 ( 7.965 -10.607 5.843) 14.495 10.372 ( -16.372 5.168 12.898) 21.473 10.372 ( 16.372 5.168 12.898) 21.473 10.447 ( -13.676 -1.908 11.792) 18.158 10.447 ( 13.676 -1.908 11.792) 18.158 11.594 ( -5.350 8.503 -4.636) 11.064 11.594 ( 5.350 8.503 -4.636) 11.064 11.722 ( -7.028 -3.731 -4.344) 9.066 11.722 ( 7.028 -3.731 -4.344) 9.066 13.918 ( -12.040 5.393 -1.950) 13.335 13.918 ( 12.040 5.393 -1.950) 13.335 14.052 ( -11.255 -7.574 -3.784) 14.084 14.052 ( 11.255 -7.574 -3.784) 14.084 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 0.000 15.180) 15.180 1.632 ( 0.000 0.000 17.582) 17.582 1.694 ( 0.000 0.000 21.335) 21.335 1.762 ( 0.000 0.000 -1.020) 1.020 1.981 ( 0.000 0.000 7.818) 7.818 2.115 ( 0.000 0.000 3.600) 3.600 2.446 ( 0.000 0.000 -5.996) 5.996 2.729 ( 0.000 0.000 7.834) 7.834 2.804 ( 0.000 0.000 -7.226) 7.226 3.023 ( 0.000 0.000 -3.903) 3.903 3.159 ( 0.000 0.000 -6.878) 6.878 3.172 ( 0.000 0.000 -4.468) 4.468 3.952 ( 0.000 0.000 -4.258) 4.258 4.058 ( 0.000 0.000 10.732) 10.732 4.133 ( 0.000 0.000 -1.977) 1.977 4.398 ( 0.000 0.000 4.510) 4.510 4.864 ( 0.000 0.000 6.170) 6.170 5.181 ( 0.000 0.000 14.580) 14.580 5.411 ( 0.000 0.000 -2.801) 2.801 5.540 ( 0.000 0.000 -3.574) 3.574 5.792 ( 0.000 0.000 -0.194) 0.194 5.987 ( 0.000 0.000 0.552) 0.552 6.101 ( 0.000 0.000 -7.601) 7.601 6.149 ( 0.000 0.000 5.086) 5.086 6.174 ( 0.000 0.000 -12.594) 12.594 6.719 ( 0.000 0.000 -2.922) 2.922 6.881 ( 0.000 0.000 5.521) 5.521 7.015 ( 0.000 0.000 9.979) 9.979 7.505 ( 0.000 0.000 -8.322) 8.322 7.913 ( 0.000 0.000 1.190) 1.190 7.961 ( 0.000 0.000 -3.516) 3.516 8.174 ( 0.000 0.000 -7.015) 7.015 8.340 ( 0.000 0.000 21.191) 21.191 8.422 ( 0.000 0.000 2.627) 2.627 8.804 ( 0.000 0.000 -0.246) 0.246 9.116 ( 0.000 0.000 -5.506) 5.506 9.361 ( 0.000 0.000 -14.372) 14.372 10.350 ( 0.000 0.000 10.590) 10.590 10.479 ( 0.000 0.000 -8.314) 8.314 10.956 ( 0.000 0.000 -3.496) 3.496 10.977 ( 0.000 0.000 -10.874) 10.874 11.274 ( 0.000 0.000 -6.099) 6.099 11.975 ( 0.000 0.000 12.789) 12.789 12.530 ( 0.000 0.000 3.953) 3.953 12.713 ( 0.000 0.000 -0.695) 0.695 12.915 ( 0.000 0.000 -0.470) 0.470 14.738 ( 0.000 0.000 2.478) 2.478 14.917 ( 0.000 0.000 -1.042) 1.042 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 5.159 0.000 14.029) 14.948 1.174 ( -20.110 0.000 22.696) 30.324 1.750 ( -1.188 0.000 -0.587) 1.325 1.825 ( -5.920 0.000 2.330) 6.362 2.154 ( 3.635 0.000 2.505) 4.414 2.210 ( 18.796 0.000 14.244) 23.584 2.414 ( -3.298 0.000 -9.548) 10.101 2.786 ( -1.390 0.000 -7.358) 7.488 2.823 ( 7.599 0.000 10.298) 12.798 3.004 ( -1.897 0.000 -3.592) 4.062 3.154 ( -1.674 0.000 -4.399) 4.707 3.194 ( 3.521 0.000 -4.520) 5.730 3.914 ( -3.294 0.000 -2.675) 4.243 4.052 ( -0.547 0.000 10.768) 10.782 4.103 ( -3.131 0.000 -1.753) 3.588 4.382 ( -1.743 0.000 5.086) 5.376 4.856 ( -0.535 0.000 6.820) 6.841 5.170 ( -0.898 0.000 12.511) 12.543 5.372 ( -3.629 0.000 -1.077) 3.786 5.511 ( -2.830 0.000 -3.274) 4.328 5.813 ( 1.887 0.000 -4.347) 4.739 5.839 ( -14.406 0.000 1.869) 14.527 5.968 ( -8.862 0.000 -2.597) 9.235 6.120 ( -1.985 0.000 -7.273) 7.539 6.196 ( 2.132 0.000 -0.461) 2.181 6.704 ( -2.809 0.000 -5.474) 6.153 6.853 ( -0.292 0.000 5.398) 5.406 7.063 ( 3.428 0.000 9.144) 9.766 7.484 ( -2.595 0.000 -6.795) 7.274 7.780 ( -2.835 0.000 3.992) 4.896 7.927 ( -2.055 0.000 -2.509) 3.243 8.290 ( 2.176 0.000 6.980) 7.312 8.488 ( 18.548 0.000 -9.263) 20.732 8.729 ( 16.805 0.000 7.811) 18.532 8.758 ( -2.425 0.000 2.692) 3.624 9.162 ( 4.160 0.000 -5.127) 6.602 9.377 ( 3.442 0.000 -11.119) 11.640 10.307 ( -4.024 0.000 10.372) 11.126 10.617 ( 11.831 0.000 -5.478) 13.037 10.900 ( -5.185 0.000 -3.427) 6.215 10.955 ( -1.085 0.000 -8.084) 8.156 11.284 ( 0.387 0.000 -5.909) 5.921 11.735 ( -15.741 0.000 16.071) 22.496 12.521 ( -10.827 0.000 0.624) 10.845 12.806 ( 16.570 0.000 0.246) 16.572 13.146 ( 16.311 0.000 -4.654) 16.962 14.675 ( -6.230 0.000 2.391) 6.673 14.841 ( -6.437 0.000 -0.642) 6.469 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -2.337 0.000 14.700) 14.884 1.224 ( 7.964 0.000 11.263) 13.794 1.713 ( -2.228 0.000 0.184) 2.236 1.750 ( 0.688 0.000 -4.265) 4.320 2.191 ( -11.826 0.000 -10.265) 15.659 2.263 ( 6.498 0.000 0.454) 6.514 2.569 ( 6.068 0.000 -2.184) 6.448 2.758 ( -1.159 0.000 -7.429) 7.518 2.943 ( -3.627 0.000 -2.852) 4.614 2.999 ( 10.134 0.000 10.933) 14.907 3.105 ( -2.946 0.000 -4.475) 5.358 3.319 ( 7.965 0.000 3.840) 8.843 3.824 ( -5.028 0.000 0.470) 5.050 3.991 ( -7.269 0.000 0.018) 7.269 4.039 ( -0.462 0.000 10.859) 10.869 4.310 ( -5.116 0.000 7.364) 8.967 4.857 ( 1.055 0.000 6.870) 6.951 5.148 ( -1.116 0.000 8.406) 8.479 5.279 ( -4.595 0.000 -0.475) 4.620 5.388 ( -9.737 0.000 2.130) 9.967 5.550 ( -7.755 0.000 1.216) 7.850 5.784 ( -8.590 0.000 -0.904) 8.637 5.847 ( 0.438 0.000 -12.081) 12.089 6.059 ( -3.857 0.000 -9.158) 9.937 6.286 ( 6.020 0.000 2.338) 6.458 6.606 ( -4.590 0.000 -6.730) 8.146 6.871 ( 1.609 0.000 4.249) 4.544 7.144 ( 3.014 0.000 9.887) 10.337 7.420 ( -1.669 0.000 -3.826) 4.174 7.848 ( 7.442 0.000 6.796) 10.079 7.878 ( -3.108 0.000 -2.784) 4.173 8.397 ( 6.965 0.000 0.827) 7.014 8.559 ( -7.026 0.000 -5.473) 8.906 8.927 ( 1.070 0.000 -7.032) 7.113 9.000 ( 19.360 0.000 0.193) 19.361 9.298 ( 9.201 0.000 -4.184) 10.108 9.622 ( 19.686 0.000 5.091) 20.334 10.185 ( -7.206 0.000 9.635) 12.032 10.737 ( -10.152 0.000 -3.190) 10.641 10.902 ( 10.998 0.000 8.262) 13.756 10.986 ( 6.836 0.000 -10.806) 12.787 11.257 ( -4.246 0.000 -1.042) 4.372 11.428 ( -11.598 0.000 11.380) 16.249 12.270 ( -12.607 0.000 1.444) 12.690 13.146 ( 15.395 0.000 -0.841) 15.418 13.531 ( 18.772 0.000 -9.640) 21.102 14.469 ( -12.770 0.000 2.726) 13.058 14.680 ( -8.429 0.000 -1.742) 8.607 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 15.918 0.000 -1.590) 15.997 1.398 ( 7.961 0.000 7.792) 11.140 1.652 ( -3.751 0.000 1.570) 4.066 1.849 ( -4.067 0.000 -14.064) 14.640 1.909 ( -1.970 0.000 -8.061) 8.298 2.418 ( 7.832 0.000 -1.378) 7.952 2.488 ( -11.327 0.000 -12.967) 17.218 2.715 ( -4.069 0.000 -5.460) 6.810 2.888 ( -0.141 0.000 -3.750) 3.753 3.031 ( -4.037 0.000 -4.822) 6.288 3.262 ( 12.862 0.000 10.912) 16.867 3.495 ( 7.962 0.000 7.535) 10.962 3.699 ( -7.052 0.000 3.726) 7.976 3.819 ( -8.078 0.000 2.906) 8.585 4.039 ( 0.675 0.000 11.066) 11.086 4.183 ( -6.097 0.000 10.047) 11.753 4.914 ( 4.429 0.000 4.494) 6.309 5.125 ( -0.681 0.000 6.284) 6.320 5.175 ( -5.640 0.000 -0.222) 5.644 5.213 ( -5.249 0.000 4.974) 7.232 5.473 ( -1.013 0.000 -1.858) 2.116 5.614 ( -7.052 0.000 -1.353) 7.180 5.836 ( -0.294 0.000 -14.516) 14.519 5.962 ( -4.925 0.000 -12.411) 13.353 6.422 ( 6.120 0.000 1.679) 6.346 6.552 ( -0.998 0.000 -2.758) 2.933 6.923 ( 3.472 0.000 5.142) 6.204 7.127 ( -4.244 0.000 7.305) 8.448 7.478 ( 6.465 0.000 0.411) 6.478 7.783 ( -5.867 0.000 -1.326) 6.015 8.026 ( 8.554 0.000 4.607) 9.715 8.386 ( -8.666 0.000 -2.125) 8.923 8.560 ( 8.053 0.000 -4.191) 9.079 8.864 ( -5.445 0.000 -11.019) 12.291 9.346 ( 13.226 0.000 0.917) 13.257 9.557 ( 12.288 0.000 -3.184) 12.694 10.035 ( -4.672 0.000 7.379) 8.734 10.099 ( 23.287 0.000 12.925) 26.634 10.475 ( -14.301 0.000 -2.618) 14.539 10.938 ( -11.507 0.000 17.542) 20.980 11.077 ( 1.592 0.000 -1.032) 1.897 11.259 ( -0.050 0.000 5.071) 5.071 11.346 ( 11.190 0.000 -7.767) 13.621 11.986 ( -14.173 0.000 1.402) 14.242 13.474 ( 15.834 0.000 -0.211) 15.836 13.908 ( 16.422 0.000 -10.260) 19.363 14.161 ( -15.713 0.000 2.490) 15.909 14.479 ( -10.673 0.000 -4.551) 11.603 ======================= Grid point 193 (65/120) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -19.773 0.000 -9.919) 22.122 1.478 ( 19.773 0.000 -9.919) 22.122 1.548 ( -6.053 0.000 4.256) 7.400 1.548 ( 6.053 0.000 4.256) 7.400 2.182 ( -15.748 0.000 -13.667) 20.851 2.182 ( 15.748 0.000 -13.667) 20.851 2.584 ( -7.487 0.000 -2.931) 8.041 2.584 ( 7.487 0.000 -2.931) 8.041 2.940 ( -4.100 0.000 -4.990) 6.459 2.940 ( 4.100 0.000 -4.990) 6.459 3.506 ( -9.874 0.000 7.163) 12.199 3.506 ( 9.874 0.000 7.163) 12.199 3.663 ( -6.846 0.000 5.934) 9.060 3.663 ( 6.846 0.000 5.934) 9.060 4.079 ( -3.358 0.000 11.108) 11.605 4.079 ( 3.358 0.000 11.108) 11.605 5.038 ( -6.796 0.000 1.670) 6.998 5.038 ( 6.796 0.000 1.670) 6.998 5.140 ( -2.134 0.000 5.154) 5.579 5.140 ( 2.134 0.000 5.154) 5.579 5.499 ( -3.476 0.000 -1.999) 4.010 5.499 ( 3.476 0.000 -1.999) 4.010 5.869 ( -3.368 0.000 -14.400) 14.789 5.869 ( 3.368 0.000 -14.400) 14.789 6.520 ( -2.827 0.000 0.212) 2.835 6.520 ( 2.827 0.000 0.212) 2.835 7.018 ( -5.226 0.000 6.117) 8.046 7.018 ( 5.226 0.000 6.117) 8.046 7.636 ( -7.655 0.000 0.630) 7.681 7.636 ( 7.655 0.000 0.630) 7.681 8.204 ( -8.390 0.000 0.923) 8.440 8.204 ( 8.390 0.000 0.923) 8.440 8.726 ( -7.357 0.000 -8.509) 11.248 8.726 ( 7.357 0.000 -8.509) 11.248 9.587 ( -8.540 0.000 2.094) 8.793 9.587 ( 8.540 0.000 2.094) 8.793 10.156 ( -14.331 0.000 -0.492) 14.339 10.156 ( 14.331 0.000 -0.492) 14.339 10.568 ( -20.473 0.000 15.936) 25.944 10.568 ( 20.473 0.000 15.936) 25.944 11.174 ( -5.098 0.000 -0.092) 5.099 11.174 ( 5.098 0.000 -0.092) 5.099 11.669 ( -15.633 0.000 -0.106) 15.633 11.669 ( 15.633 0.000 -0.106) 15.633 13.818 ( -16.394 0.000 1.045) 16.428 13.818 ( 16.394 0.000 1.045) 16.428 14.224 ( -13.420 0.000 -7.716) 15.480 14.224 ( 13.420 0.000 -7.716) 15.480 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.000 7.599 12.488) 14.618 1.634 ( 0.000 0.367 12.821) 12.826 1.747 ( 0.000 5.833 18.356) 19.260 1.761 ( 0.000 -0.748 5.068) 5.123 1.964 ( 0.000 -0.953 5.820) 5.897 2.185 ( 0.000 3.841 5.426) 6.648 2.446 ( 0.000 0.293 -4.306) 4.316 2.684 ( 0.000 -4.609 8.562) 9.724 2.828 ( 0.000 -1.189 -3.327) 3.533 3.067 ( 0.000 7.086 -4.242) 8.258 3.150 ( 0.000 -0.619 -7.984) 8.008 3.224 ( 0.000 7.030 -6.597) 9.641 3.935 ( 0.000 -0.717 6.608) 6.647 4.159 ( 0.000 2.418 -0.076) 2.419 4.176 ( 0.000 9.548 -2.716) 9.926 4.455 ( 0.000 5.204 1.123) 5.324 4.816 ( 0.000 -4.627 4.427) 6.404 5.066 ( 0.000 -8.622 9.489) 12.821 5.393 ( 0.000 -10.282 -2.374) 10.552 5.494 ( 0.000 5.282 0.602) 5.316 5.896 ( 0.000 5.041 0.617) 5.079 6.021 ( 0.000 3.132 3.565) 4.745 6.028 ( 0.000 -6.124 -6.425) 8.876 6.153 ( 0.000 1.867 1.864) 2.638 6.205 ( 0.000 1.057 -9.115) 9.177 6.648 ( 0.000 -4.322 -2.692) 5.092 6.902 ( 0.000 1.964 6.205) 6.508 7.011 ( 0.000 -1.128 8.288) 8.364 7.565 ( 0.000 4.661 -7.687) 8.990 7.826 ( 0.000 -12.478 -3.952) 13.089 7.865 ( 0.000 -4.666 -0.430) 4.686 8.078 ( 0.000 -4.582 -4.271) 6.264 8.307 ( 0.000 -7.484 5.920) 9.542 8.376 ( 0.000 -0.425 16.281) 16.286 8.936 ( 0.000 9.499 -4.440) 10.486 9.083 ( 0.000 0.206 -5.642) 5.646 9.594 ( 0.000 17.931 -14.125) 22.826 10.307 ( 0.000 -3.778 10.009) 10.698 10.444 ( 0.000 -5.807 3.919) 7.006 10.661 ( 0.000 -8.199 -20.273) 21.868 11.302 ( 0.000 2.384 -4.649) 5.225 11.368 ( 0.000 19.152 -5.249) 19.858 11.947 ( 0.000 -2.416 12.158) 12.396 12.562 ( 0.000 2.799 4.501) 5.301 12.694 ( 0.000 -1.660 -1.559) 2.278 12.901 ( 0.000 -1.165 0.192) 1.181 14.715 ( 0.000 -2.144 2.617) 3.383 14.854 ( 0.000 -5.587 0.760) 5.638 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.12 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -5.148 2.269 14.878) 15.906 1.282 ( -10.320 10.402 17.732) 23.003 1.689 ( -2.889 -4.706 0.449) 5.540 1.867 ( -4.547 2.345 1.964) 5.480 2.140 ( 9.594 -0.335 6.474) 11.580 2.252 ( 6.882 0.981 6.790) 9.717 2.440 ( 0.703 3.406 -6.633) 7.490 2.731 ( 2.565 -7.236 6.609) 10.131 2.852 ( 3.579 1.334 1.183) 3.998 3.048 ( -1.843 6.270 -4.862) 8.145 3.138 ( -0.625 0.566 -4.879) 4.952 3.262 ( 3.210 6.840 -5.050) 9.088 3.924 ( -1.150 -0.199 5.857) 5.972 4.062 ( -6.009 3.800 0.694) 7.143 4.217 ( 0.817 8.041 -1.632) 8.245 4.435 ( -2.107 4.977 2.122) 5.806 4.812 ( -0.071 -4.243 4.966) 6.533 5.067 ( 0.150 -7.929 8.418) 11.565 5.362 ( -3.294 -6.721 -1.123) 7.569 5.468 ( -2.372 1.593 -0.220) 2.866 5.799 ( -10.724 0.499 1.525) 10.843 5.950 ( -4.804 3.218 -1.975) 6.110 5.974 ( -4.382 2.707 -0.874) 5.225 6.148 ( -1.134 2.717 -5.782) 6.489 6.174 ( 0.526 -1.810 -1.318) 2.300 6.642 ( -2.237 -3.670 -4.398) 6.150 6.883 ( 0.303 2.566 6.012) 6.544 7.058 ( 2.894 -1.067 7.067) 7.710 7.507 ( -4.545 1.053 -6.195) 7.756 7.699 ( -5.522 -7.786 2.008) 9.754 7.875 ( 1.004 -4.000 -2.606) 4.878 8.177 ( 6.684 -13.039 -2.151) 14.809 8.331 ( 5.515 -3.846 0.059) 6.724 8.720 ( 20.520 -2.865 12.416) 24.154 8.886 ( -1.814 6.841 -1.337) 7.202 9.150 ( 5.179 1.909 -6.365) 8.425 9.628 ( 3.858 19.333 -12.660) 23.430 10.253 ( -4.415 -4.653 10.054) 11.925 10.507 ( 3.251 -11.894 7.606) 14.488 10.735 ( 8.260 0.132 -19.938) 21.582 11.262 ( -3.637 8.272 -3.124) 9.561 11.357 ( -1.078 12.582 -5.044) 13.598 11.729 ( -14.586 -0.516 15.459) 21.260 12.516 ( -11.280 -0.926 0.291) 11.321 12.811 ( 16.670 0.850 0.280) 16.694 13.123 ( 15.673 -2.016 -3.862) 16.267 14.651 ( -6.262 -2.202 2.632) 7.140 14.787 ( -5.677 -4.778 0.594) 7.444 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.25 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -2.089 2.736 12.964) 13.413 1.306 ( 5.514 7.564 9.756) 13.520 1.649 ( 0.319 -4.642 -2.516) 5.290 1.800 ( -1.598 2.649 -0.489) 3.132 2.180 ( -10.767 -0.811 -9.798) 14.580 2.250 ( 4.485 -2.057 1.258) 5.092 2.574 ( 3.126 0.175 -5.694) 6.498 2.720 ( -3.120 -6.864 -2.022) 7.806 3.004 ( 0.585 2.825 -0.313) 2.901 3.022 ( 9.885 8.180 7.118) 14.672 3.127 ( -0.618 3.250 -3.364) 4.718 3.359 ( 6.041 4.211 2.925) 7.923 3.879 ( -3.407 2.659 2.998) 5.260 3.920 ( -6.968 0.638 4.331) 8.229 4.209 ( -1.266 9.869 1.198) 10.021 4.357 ( -5.099 4.518 4.809) 8.339 4.828 ( 1.840 -2.806 5.058) 6.070 5.075 ( 0.659 -6.295 6.046) 8.753 5.248 ( -6.950 -2.879 1.008) 7.590 5.402 ( -4.393 -1.265 -1.106) 4.703 5.526 ( -10.414 1.008 4.641) 11.446 5.814 ( -7.786 2.944 -0.675) 8.351 5.916 ( -1.696 5.155 -9.402) 10.856 6.115 ( -2.127 4.461 -8.209) 9.582 6.243 ( 4.935 -3.527 1.315) 6.207 6.543 ( -5.189 -4.701 -5.745) 9.057 6.905 ( 1.421 2.766 4.317) 5.320 7.132 ( 3.094 -1.518 8.624) 9.287 7.421 ( -2.288 -1.086 -3.724) 4.503 7.660 ( 0.691 -12.119 2.167) 12.330 7.913 ( 2.178 -0.085 -1.231) 2.503 8.294 ( 1.344 -19.937 -10.364) 22.510 8.428 ( 5.270 1.400 2.039) 5.821 8.856 ( 0.820 4.064 1.343) 4.358 9.136 ( 13.599 -4.674 4.791) 15.157 9.317 ( 11.515 3.383 -4.261) 12.735 9.799 ( 13.169 17.053 -4.030) 21.920 10.143 ( -5.299 -3.458 11.306) 12.956 10.534 ( -0.666 -10.604 4.514) 11.544 10.994 ( 14.444 4.025 -10.217) 18.144 11.158 ( -5.927 9.541 3.995) 11.921 11.311 ( -3.944 7.578 -2.937) 9.033 11.448 ( -10.397 1.804 10.040) 14.565 12.262 ( -12.583 -0.946 1.071) 12.664 13.152 ( 15.387 0.686 -1.109) 15.443 13.497 ( 18.419 -3.177 -8.710) 20.621 14.449 ( -12.347 -1.775 2.901) 12.807 14.640 ( -8.091 -3.747 -1.165) 8.992 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.38 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 15.016 1.730 -1.571) 15.197 1.439 ( 6.657 3.837 5.929) 9.705 1.649 ( -2.780 -0.483 -0.022) 2.822 1.863 ( 7.220 0.015 -9.750) 12.132 1.892 ( -13.626 -0.212 -10.052) 16.933 2.351 ( 3.515 -6.244 -1.900) 7.413 2.477 ( -9.221 -1.589 -11.984) 15.204 2.626 ( -5.105 -8.362 -3.027) 10.254 3.004 ( 0.888 10.305 -3.915) 11.059 3.093 ( -2.225 6.828 -4.064) 8.251 3.303 ( 13.069 4.549 9.851) 16.986 3.507 ( 7.529 0.875 7.959) 10.991 3.745 ( -8.290 4.492 3.368) 10.012 3.800 ( -5.387 -0.127 5.989) 8.057 4.180 ( -1.141 10.286 5.087) 11.531 4.243 ( -4.830 5.481 7.116) 10.199 4.893 ( 4.146 -2.065 3.396) 5.744 5.094 ( -0.051 -4.824 3.256) 5.820 5.107 ( -4.245 -2.441 3.699) 6.137 5.268 ( -6.450 2.068 2.476) 7.212 5.437 ( 0.007 -1.563 -1.020) 1.867 5.639 ( -8.269 3.054 -1.433) 8.931 5.894 ( 0.139 4.984 -12.186) 13.166 6.033 ( -5.089 6.191 -12.056) 14.477 6.359 ( 5.383 -5.758 1.221) 7.976 6.482 ( -1.070 -6.161 -2.054) 6.582 6.949 ( 2.893 1.531 5.006) 5.981 7.120 ( -3.776 -1.516 7.262) 8.324 7.465 ( 5.580 -1.636 -1.119) 5.922 7.659 ( -1.639 -10.255 -0.594) 10.402 7.972 ( 3.682 -3.947 0.230) 5.403 8.213 ( -6.423 -14.836 -9.115) 18.559 8.595 ( 8.584 2.387 0.801) 8.945 8.845 ( -2.391 1.470 -2.103) 3.507 9.347 ( 8.508 -5.754 1.010) 10.321 9.545 ( 5.974 -2.795 -3.054) 7.268 10.068 ( 2.841 7.003 8.182) 11.138 10.179 ( 18.250 6.809 10.403) 22.082 10.458 ( -6.622 -0.308 0.337) 6.638 10.966 ( -13.466 2.125 17.866) 22.474 11.191 ( 0.220 9.259 -1.329) 9.357 11.298 ( -0.370 3.554 3.230) 4.816 11.365 ( 10.463 1.845 -9.096) 13.986 11.981 ( -13.912 -0.605 0.794) 13.948 13.479 ( 15.671 0.516 -0.576) 15.691 13.870 ( 16.350 -3.610 -9.631) 19.316 14.152 ( -15.206 -0.767 2.415) 15.416 14.442 ( -10.648 -3.537 -4.091) 11.943 ======================= Grid point 202 (70/120) ======================= q-point: (-0.50 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -15.835 -0.633 -6.068) 16.969 1.460 ( 15.835 -0.633 -6.068) 16.969 1.597 ( -7.353 3.675 -0.478) 8.234 1.597 ( 7.353 3.675 -0.478) 8.234 2.147 ( -15.189 -3.359 -12.956) 20.244 2.147 ( 15.189 -3.359 -12.956) 20.244 2.507 ( -5.905 -7.169 -2.149) 9.534 2.507 ( 5.905 -7.169 -2.149) 9.534 3.041 ( -2.396 9.601 -4.443) 10.847 3.041 ( 2.396 9.601 -4.443) 10.847 3.550 ( -10.144 4.131 6.186) 12.579 3.550 ( 10.144 4.131 6.186) 12.579 3.666 ( -7.055 0.724 7.582) 10.383 3.666 ( 7.055 0.724 7.582) 10.383 4.177 ( -1.267 8.114 7.242) 10.949 4.177 ( 1.267 8.114 7.242) 10.949 4.994 ( -5.037 -3.507 1.775) 6.389 4.994 ( 5.037 -3.507 1.775) 6.389 5.154 ( -4.107 0.050 4.062) 5.776 5.154 ( 4.107 0.050 4.062) 5.776 5.492 ( -5.035 0.806 -2.114) 5.520 5.492 ( 5.035 0.806 -2.114) 5.520 5.935 ( -3.640 5.709 -12.944) 14.608 5.935 ( 3.640 5.709 -12.944) 14.608 6.449 ( -2.761 -6.365 0.274) 6.944 6.449 ( 2.761 -6.365 0.274) 6.944 7.027 ( -4.314 -0.343 5.977) 7.379 7.027 ( 4.314 -0.343 5.977) 7.379 7.587 ( -4.957 -4.537 -0.566) 6.743 7.587 ( 4.957 -4.537 -0.566) 6.743 8.075 ( -5.988 -10.081 -3.532) 12.246 8.075 ( 5.988 -10.081 -3.532) 12.246 8.754 ( -6.079 2.261 -2.297) 6.881 8.754 ( 6.079 2.261 -2.297) 6.881 9.516 ( -6.585 -8.051 1.069) 10.456 9.516 ( 6.585 -8.051 1.069) 10.456 10.231 ( -10.668 8.392 2.664) 13.833 10.231 ( 10.668 8.392 2.664) 13.833 10.616 ( -18.546 3.789 14.925) 24.105 10.616 ( 18.546 3.789 14.925) 24.105 11.231 ( -3.233 4.956 -0.576) 5.945 11.231 ( 3.233 4.956 -0.576) 5.945 11.673 ( -15.029 0.324 -1.337) 15.092 11.673 ( 15.029 0.324 -1.337) 15.092 13.817 ( -16.051 0.019 0.642) 16.064 13.817 ( 16.051 0.019 0.642) 16.064 14.186 ( -13.438 -3.581 -7.129) 15.628 14.186 ( 13.438 -3.581 -7.129) 15.628 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 6.401 8.918) 10.978 1.615 ( 0.000 -3.807 1.999) 4.300 1.761 ( 0.000 2.806 17.090) 17.319 1.922 ( 0.000 9.701 11.098) 14.740 1.964 ( 0.000 1.032 3.649) 3.792 2.187 ( 0.000 -3.268 6.156) 6.970 2.428 ( 0.000 -4.122 13.291) 13.915 2.612 ( 0.000 1.352 -3.552) 3.800 2.724 ( 0.000 -7.641 3.269) 8.311 3.077 ( 0.000 -4.909 -9.231) 10.455 3.350 ( 0.000 16.097 -2.779) 16.336 3.481 ( 0.000 16.730 -6.289) 17.873 3.922 ( 0.000 -0.840 7.976) 8.021 4.217 ( 0.000 2.628 1.465) 3.008 4.386 ( 0.000 10.206 -10.256) 14.469 4.573 ( 0.000 4.492 -4.998) 6.720 4.691 ( 0.000 -6.312 0.172) 6.315 4.877 ( 0.000 -9.730 5.558) 11.206 5.207 ( 0.000 -6.566 0.058) 6.566 5.555 ( 0.000 -0.975 -0.870) 1.307 5.873 ( 0.000 -7.556 -2.019) 7.821 5.921 ( 0.000 -1.815 0.634) 1.923 6.060 ( 0.000 1.057 10.152) 10.207 6.182 ( 0.000 -2.830 -0.669) 2.908 6.298 ( 0.000 11.027 -3.359) 11.527 6.641 ( 0.000 3.873 -4.184) 5.701 6.949 ( 0.000 2.299 8.037) 8.360 6.958 ( 0.000 -3.992 5.615) 6.889 7.560 ( 0.000 -11.884 -5.596) 13.135 7.580 ( 0.000 -5.965 -2.207) 6.360 7.806 ( 0.000 2.032 -4.737) 5.155 7.997 ( 0.000 -3.781 -4.145) 5.611 8.194 ( 0.000 -3.504 7.408) 8.195 8.315 ( 0.000 -4.537 12.216) 13.032 9.112 ( 0.000 7.075 -8.893) 11.365 9.133 ( 0.000 3.669 -4.915) 6.133 9.974 ( 0.000 17.284 -18.672) 25.444 10.230 ( 0.000 -2.382 11.895) 12.132 10.262 ( 0.000 -8.850 7.934) 11.885 10.610 ( 0.000 -0.594 -23.320) 23.327 11.357 ( 0.000 3.010 -0.997) 3.171 11.635 ( 0.000 2.748 5.284) 5.955 11.959 ( 0.000 7.908 1.678) 8.084 12.576 ( 0.000 -3.737 1.303) 3.958 12.697 ( 0.000 3.619 0.468) 3.649 12.878 ( 0.000 -1.018 1.445) 1.767 14.661 ( 0.000 -2.817 3.079) 4.174 14.727 ( 0.000 -6.054 3.375) 6.931 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.12 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -8.763 4.317 12.224) 15.647 1.532 ( -5.780 9.755 9.636) 14.880 1.581 ( -4.386 -2.757 4.489) 6.854 1.898 ( -3.826 1.128 3.229) 5.132 2.134 ( 5.194 -1.313 3.845) 6.594 2.203 ( 1.577 -5.038 4.098) 6.683 2.530 ( 7.631 1.286 6.550) 10.139 2.578 ( -2.914 -3.284 -2.373) 4.991 2.802 ( 7.176 -3.757 7.187) 10.829 3.083 ( 1.370 -2.686 -6.319) 7.002 3.342 ( -0.578 15.644 -2.109) 15.797 3.499 ( 1.368 15.700 -4.603) 16.418 3.910 ( -1.129 -0.917 7.485) 7.625 4.165 ( -4.547 4.956 0.399) 6.738 4.381 ( -0.658 7.178 -7.643) 10.506 4.560 ( -2.068 6.220 -4.975) 8.229 4.693 ( 1.094 -6.779 1.251) 6.980 4.888 ( 1.002 -9.465 5.113) 10.805 5.209 ( -0.072 -5.675 -0.231) 5.680 5.491 ( -5.824 -1.413 0.022) 5.993 5.811 ( -8.458 0.186 2.875) 8.935 5.907 ( 0.819 -4.593 -1.676) 4.957 6.027 ( -1.344 0.312 5.903) 6.062 6.115 ( -4.906 -2.840 0.554) 5.696 6.281 ( -1.025 9.633 -3.990) 10.477 6.646 ( -1.723 4.188 -5.646) 7.238 6.946 ( 1.672 3.308 7.758) 8.598 7.005 ( 1.716 -4.154 3.277) 5.562 7.434 ( -8.184 -8.679 -1.309) 12.001 7.528 ( -4.562 -7.784 -3.350) 9.625 7.819 ( 4.389 -0.828 -5.890) 7.392 7.941 ( -3.169 -7.755 -4.191) 9.368 8.315 ( 8.163 0.615 4.890) 9.535 8.592 ( 19.331 -8.078 11.357) 23.831 9.031 ( -3.689 7.072 -4.401) 9.110 9.203 ( 3.704 2.012 -6.709) 7.923 10.017 ( 3.767 14.549 -15.631) 21.684 10.158 ( -3.943 -3.098 11.887) 12.902 10.307 ( 3.463 -4.402 8.756) 10.394 10.762 ( 12.084 0.417 -19.752) 23.159 11.338 ( -1.988 2.918 0.042) 3.531 11.592 ( -4.154 1.328 6.680) 7.977 11.796 ( -11.259 12.046 2.710) 16.709 12.462 ( -10.428 -4.759 -0.632) 11.480 12.854 ( 14.715 3.501 0.386) 15.130 13.075 ( 14.053 -2.575 -2.285) 14.468 14.597 ( -6.086 -2.698 3.240) 7.404 14.676 ( -4.529 -5.487 2.397) 7.508 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.25 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -1.508 5.952 8.632) 10.593 1.469 ( -0.536 2.125 2.316) 3.188 1.567 ( 3.039 2.297 2.534) 4.575 1.835 ( -2.332 1.090 1.571) 3.015 2.141 ( -4.644 -5.084 -2.253) 7.246 2.182 ( -1.539 -2.793 -2.530) 4.070 2.494 ( -4.479 -7.716 -4.089) 9.814 2.604 ( -3.410 -3.591 -5.426) 7.346 3.014 ( 11.629 1.982 9.803) 15.338 3.184 ( 8.034 2.850 1.394) 8.638 3.336 ( 0.620 15.136 0.023) 15.148 3.525 ( 1.081 12.785 -0.301) 12.835 3.870 ( -2.809 -0.906 6.694) 7.316 4.043 ( -6.498 7.749 -0.243) 10.116 4.355 ( -1.817 3.201 -2.065) 4.220 4.480 ( -4.639 6.147 -4.305) 8.823 4.750 ( 3.758 -4.127 1.877) 5.889 4.921 ( 2.160 -8.420 4.085) 9.604 5.182 ( -3.456 -2.465 0.109) 4.246 5.347 ( -6.216 -3.021 0.276) 6.917 5.598 ( -9.150 4.655 6.108) 11.946 5.887 ( -4.025 3.329 0.361) 5.236 5.997 ( -1.367 1.437 -4.944) 5.327 6.090 ( 3.519 -6.716 2.353) 7.939 6.264 ( -1.066 5.960 -5.782) 8.372 6.517 ( -9.260 4.128 -7.359) 12.527 6.934 ( -2.070 -2.707 2.511) 4.233 7.078 ( 2.692 -3.063 5.887) 7.161 7.286 ( -2.623 -9.353 -1.539) 9.835 7.519 ( 2.206 -2.743 -1.341) 3.767 7.869 ( -2.099 -7.351 -3.151) 8.269 7.928 ( 3.129 -9.690 -10.960) 14.960 8.486 ( 7.859 3.780 5.715) 10.427 8.954 ( 12.573 -10.774 6.733) 17.875 8.973 ( -2.072 6.022 -0.750) 6.413 9.313 ( 6.491 -3.480 -3.286) 8.064 10.063 ( 1.946 0.390 6.920) 7.199 10.200 ( 7.901 11.663 2.775) 14.358 10.399 ( 4.984 1.248 6.138) 8.005 11.047 ( 13.130 -0.444 -11.848) 17.691 11.256 ( -5.954 3.747 5.012) 8.638 11.466 ( -6.529 0.873 6.298) 9.113 11.588 ( -7.868 14.734 -2.067) 16.831 12.219 ( -12.146 -3.749 0.022) 12.712 13.179 ( 15.205 2.165 -1.744) 15.457 13.415 ( 17.219 -4.491 -6.459) 18.931 14.410 ( -11.144 -1.598 2.985) 11.647 14.545 ( -7.798 -5.145 0.013) 9.342 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.38 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 12.959 4.894 -2.542) 14.083 1.517 ( 4.242 1.610 -0.632) 4.581 1.647 ( 1.505 1.910 -0.384) 2.462 1.814 ( 1.006 -2.804 -3.672) 4.729 1.942 ( -9.922 3.338 -10.076) 14.529 2.193 ( 0.460 -8.336 -1.035) 8.412 2.388 ( -6.231 -8.612 -6.329) 12.371 2.438 ( -8.959 -7.571 -6.216) 13.275 3.209 ( 5.878 8.304 2.639) 10.510 3.291 ( 0.745 10.941 -1.464) 11.064 3.462 ( 11.195 8.233 6.565) 15.369 3.564 ( 3.278 7.847 4.879) 9.804 3.787 ( -4.988 -0.237 7.070) 8.656 3.893 ( -7.852 8.673 0.923) 11.736 4.314 ( -1.348 1.695 1.862) 2.856 4.390 ( -3.743 6.079 -2.912) 7.710 4.835 ( 4.074 -2.924 2.083) 5.430 4.977 ( 2.123 -5.872 2.521) 6.734 5.072 ( -4.285 -0.649 2.576) 5.041 5.237 ( -5.411 -4.085 -0.408) 6.792 5.499 ( 0.336 7.138 3.526) 7.968 5.751 ( -8.043 7.679 -0.310) 11.125 6.002 ( 1.704 4.105 -8.395) 9.499 6.178 ( -1.673 5.519 -8.780) 10.505 6.209 ( 1.155 -6.810 -1.799) 7.138 6.365 ( -3.862 -2.758 -1.638) 5.020 6.903 ( -0.481 -8.596 1.876) 8.811 7.019 ( -5.423 -9.231 3.973) 11.419 7.376 ( 7.511 -3.546 -2.218) 8.598 7.559 ( 0.570 1.125 -0.526) 1.367 7.839 ( 0.021 -10.778 -4.100) 11.531 7.948 ( -1.546 -7.695 -8.783) 11.779 8.655 ( 7.987 3.771 5.377) 10.341 8.913 ( -3.642 4.356 0.866) 5.744 9.150 ( 7.200 -11.697 3.280) 14.121 9.382 ( -1.387 -11.024 -0.713) 11.133 10.227 ( 12.759 6.148 16.837) 22.001 10.392 ( 8.827 8.538 4.691) 13.146 10.503 ( 4.682 8.495 2.366) 9.984 11.001 ( -13.420 0.704 17.224) 21.846 11.349 ( 5.273 3.365 -7.301) 9.614 11.378 ( 1.746 3.857 0.145) 4.236 11.457 ( -2.042 9.025 -5.837) 10.941 11.952 ( -12.963 -2.707 -0.804) 13.267 13.502 ( 15.315 1.927 -1.583) 15.516 13.773 ( 16.033 -5.543 -7.711) 18.635 14.141 ( -13.961 -0.004 1.742) 14.069 14.347 ( -10.781 -5.401 -2.920) 12.407 ======================= Grid point 211 (75/120) ======================= q-point: (-0.50 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -13.178 2.324 -5.106) 14.322 1.474 ( 13.178 2.324 -5.106) 14.322 1.672 ( -6.478 3.066 -4.033) 8.224 1.672 ( 6.478 3.066 -4.033) 8.224 2.056 ( -12.339 -4.914 -10.082) 16.675 2.056 ( 12.339 -4.914 -10.082) 16.675 2.327 ( -2.739 -9.724 -1.601) 10.229 2.327 ( 2.739 -9.724 -1.601) 10.229 3.280 ( -1.615 12.318 -1.106) 12.472 3.280 ( 1.615 12.318 -1.106) 12.472 3.665 ( -5.636 2.011 7.144) 9.319 3.665 ( 5.636 2.011 7.144) 9.319 3.702 ( -9.820 8.037 4.270) 13.389 3.702 ( 9.820 8.037 4.270) 13.389 4.323 ( -2.212 3.799 0.512) 4.426 4.323 ( 2.212 3.799 0.512) 4.426 4.924 ( -4.400 -2.364 1.897) 5.343 4.924 ( 4.400 -2.364 1.897) 5.343 5.116 ( -5.447 -3.513 1.713) 6.704 5.116 ( 5.447 -3.513 1.713) 6.704 5.583 ( -6.768 8.330 -0.125) 10.733 5.583 ( 6.768 8.330 -0.125) 10.733 6.068 ( -4.570 6.406 -11.009) 13.532 6.068 ( 4.570 6.406 -11.009) 13.532 6.298 ( -3.614 -7.166 0.430) 8.037 6.298 ( 3.614 -7.166 0.430) 8.037 6.925 ( -2.800 -11.034 2.506) 11.656 6.925 ( 2.800 -11.034 2.506) 11.656 7.515 ( -4.785 -0.373 -2.065) 5.225 7.515 ( 4.785 -0.373 -2.065) 5.225 7.883 ( -3.623 -8.328 -4.774) 10.260 7.883 ( 3.623 -8.328 -4.774) 10.260 8.810 ( -6.208 3.369 2.714) 7.567 8.810 ( 6.208 3.369 2.714) 7.567 9.290 ( -6.040 -12.523 1.956) 14.040 9.290 ( 6.040 -12.523 1.956) 14.040 10.452 ( -4.886 11.364 7.524) 14.478 10.452 ( 4.886 11.364 7.524) 14.478 10.691 ( -14.087 3.010 14.133) 20.180 10.691 ( 14.087 3.010 14.133) 20.180 11.349 ( -1.461 6.446 -2.447) 7.048 11.349 ( 1.461 6.446 -2.447) 7.048 11.672 ( -13.257 -0.883 -3.928) 13.855 11.672 ( 13.257 -0.883 -3.928) 13.855 13.827 ( -15.165 1.249 -0.453) 15.223 13.827 ( 15.165 1.249 -0.453) 15.223 14.089 ( -13.474 -5.666 -5.626) 15.662 14.089 ( 13.474 -5.666 -5.626) 15.662 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.000 5.578 6.059) 8.235 1.502 ( 0.000 -6.230 3.268) 7.035 1.875 ( 0.000 7.458 14.565) 16.363 2.007 ( 0.000 3.255 4.117) 5.248 2.010 ( 0.000 -3.324 8.378) 9.013 2.095 ( 0.000 -5.066 4.832) 7.001 2.395 ( 0.000 4.520 18.026) 18.584 2.551 ( 0.000 -8.916 9.012) 12.678 2.738 ( 0.000 9.209 -7.681) 11.992 2.933 ( 0.000 -9.028 -8.136) 12.153 3.649 ( 0.000 11.818 1.987) 11.984 3.768 ( 0.000 4.088 4.612) 6.163 3.947 ( 0.000 8.876 -4.452) 9.930 4.189 ( 0.000 -8.190 -4.005) 9.117 4.553 ( 0.000 0.787 2.823) 2.931 4.565 ( 0.000 6.936 -12.555) 14.343 4.664 ( 0.000 -1.358 -12.075) 12.151 4.681 ( 0.000 -8.940 3.560) 9.623 5.194 ( 0.000 6.043 0.800) 6.096 5.402 ( 0.000 -12.015 -2.638) 12.301 5.815 ( 0.000 1.192 1.661) 2.045 5.864 ( 0.000 -3.063 1.194) 3.288 6.085 ( 0.000 1.491 9.307) 9.426 6.124 ( 0.000 -2.481 6.037) 6.527 6.534 ( 0.000 11.345 -3.589) 11.899 6.703 ( 0.000 -2.544 -5.197) 5.786 6.899 ( 0.000 1.415 6.399) 6.554 6.966 ( 0.000 -1.690 8.760) 8.922 7.391 ( 0.000 -3.685 -4.635) 5.921 7.427 ( 0.000 -6.314 -0.346) 6.323 7.877 ( 0.000 3.152 -5.196) 6.077 7.930 ( 0.000 -2.666 -4.228) 4.998 8.166 ( 0.000 0.875 7.013) 7.068 8.222 ( 0.000 -4.164 8.375) 9.353 9.199 ( 0.000 2.300 -6.504) 6.898 9.206 ( 0.000 2.040 -9.125) 9.350 10.115 ( 0.000 -0.381 -3.643) 3.663 10.137 ( 0.000 -3.341 4.086) 5.279 10.367 ( 0.000 12.592 -6.798) 14.310 10.557 ( 0.000 -5.589 -17.862) 18.716 11.431 ( 0.000 4.574 4.686) 6.548 11.550 ( 0.000 -6.828 10.070) 12.166 12.210 ( 0.000 13.096 -4.511) 13.851 12.439 ( 0.000 -9.217 -2.846) 9.646 12.788 ( 0.000 4.237 2.544) 4.942 12.851 ( 0.000 -2.010 2.359) 3.099 14.618 ( 0.000 -1.008 3.810) 3.941 14.634 ( 0.000 -2.781 4.257) 5.085 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.12 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -7.586 6.315 7.713) 12.527 1.425 ( -5.705 -7.334 3.687) 9.996 1.805 ( -3.290 11.622 10.317) 15.884 1.928 ( -4.131 1.187 5.303) 6.826 2.058 ( 0.264 -5.077 3.667) 6.268 2.075 ( -0.509 -6.749 4.348) 8.044 2.495 ( 3.306 1.658 7.427) 8.297 2.571 ( -0.287 -3.909 -1.469) 4.186 2.826 ( 9.608 6.846 3.606) 12.337 2.982 ( 5.689 -7.020 -2.371) 9.342 3.633 ( -1.263 11.612 2.457) 11.936 3.759 ( -0.878 2.519 5.607) 6.209 3.945 ( -0.327 9.699 -4.479) 10.688 4.178 ( -1.051 -6.904 -2.934) 7.575 4.482 ( -4.553 4.807 -7.636) 10.106 4.611 ( -4.087 -3.857 -10.276) 11.712 4.629 ( 3.822 2.293 -1.271) 4.634 4.708 ( 2.078 -6.284 2.514) 7.080 5.200 ( 0.371 5.410 0.115) 5.424 5.375 ( -2.831 -9.373 -2.109) 10.016 5.806 ( -2.408 -0.016 2.321) 3.344 5.828 ( -1.923 -2.325 1.495) 3.367 6.037 ( -2.600 1.121 8.203) 8.678 6.069 ( -4.178 -1.879 6.733) 8.144 6.502 ( -2.695 11.492 -4.464) 12.619 6.692 ( -1.463 -4.259 -5.586) 7.175 6.942 ( 0.735 1.068 2.687) 2.984 6.988 ( 2.188 -0.315 7.547) 7.864 7.300 ( -7.311 -1.958 -2.337) 7.921 7.367 ( -3.010 -7.067 -4.587) 8.947 7.823 ( -1.890 0.686 -5.317) 5.685 7.850 ( -3.929 -2.277 -3.851) 5.955 8.348 ( 11.966 2.862 6.479) 13.905 8.440 ( 15.572 -6.278 8.697) 18.909 9.153 ( -2.799 4.633 -6.981) 8.834 9.213 ( -0.127 -1.189 -7.581) 7.675 10.072 ( -2.418 -0.260 4.556) 5.164 10.107 ( -0.016 -3.442 7.796) 8.522 10.485 ( 8.863 14.174 -8.803) 18.893 10.705 ( 11.309 -6.726 -16.219) 20.885 11.410 ( -1.958 4.469 4.493) 6.632 11.517 ( -2.950 -5.639 8.760) 10.828 12.084 ( -9.279 13.617 -2.383) 16.649 12.319 ( -9.367 -9.353 -1.713) 13.347 12.939 ( 12.550 4.365 0.036) 13.288 13.018 ( 12.569 -3.256 -0.900) 13.015 14.561 ( -5.317 -0.503 3.618) 6.451 14.586 ( -4.465 -3.039 3.316) 6.338 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.25 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -0.596 8.289 3.576) 9.047 1.347 ( 0.058 -8.496 -0.429) 8.507 1.763 ( -0.947 10.526 5.246) 11.799 1.861 ( -2.690 1.034 2.928) 4.108 2.019 ( -2.189 -4.492 1.908) 5.349 2.076 ( -0.542 -8.018 1.313) 8.143 2.422 ( -7.776 1.743 -6.937) 10.566 2.509 ( -6.730 -5.418 -8.468) 12.098 3.094 ( 13.575 5.049 8.973) 17.038 3.181 ( 11.682 -2.791 5.882) 13.373 3.605 ( -1.156 10.570 3.723) 11.265 3.733 ( -1.431 0.147 6.824) 6.974 3.927 ( -1.407 11.467 -3.652) 12.116 4.147 ( -1.737 -3.233 -1.373) 3.919 4.362 ( -6.581 3.161 -7.304) 10.327 4.503 ( -5.827 -5.261 -9.121) 12.035 4.722 ( 4.779 1.407 1.426) 5.182 4.775 ( 4.284 -4.549 2.898) 6.888 5.189 ( -2.232 3.229 -0.710) 3.989 5.276 ( -5.992 -4.274 -0.460) 7.374 5.702 ( -4.115 5.858 5.266) 8.887 5.846 ( 2.521 -7.765 0.324) 8.171 5.989 ( -3.057 1.463 4.273) 5.454 6.021 ( 0.888 -1.434 4.105) 4.438 6.434 ( -3.682 10.582 -5.516) 12.488 6.626 ( -5.001 -1.791 -6.763) 8.600 6.806 ( -11.003 -0.119 -3.430) 11.526 6.967 ( -7.520 -9.025 0.528) 11.759 7.249 ( 5.118 4.975 -0.481) 7.154 7.400 ( 5.773 -8.623 -2.527) 10.680 7.767 ( -2.508 1.164 -4.907) 5.633 7.836 ( 0.517 -4.104 -5.416) 6.815 8.583 ( 9.532 6.037 7.006) 13.281 8.740 ( 11.282 -9.455 7.542) 16.540 9.093 ( -2.931 5.821 -3.462) 7.380 9.212 ( -0.260 -5.772 -4.474) 7.307 10.095 ( 6.063 3.385 13.209) 14.923 10.186 ( 7.631 -5.009 12.513) 15.488 10.676 ( 8.080 16.347 -5.201) 18.963 10.944 ( 9.143 -9.505 -7.636) 15.240 11.353 ( -2.698 5.173 2.381) 6.301 11.441 ( -3.518 -3.103 3.684) 5.965 11.876 ( -9.895 12.946 -1.992) 16.416 12.096 ( -11.142 -8.497 -1.195) 14.063 13.240 ( 14.991 3.745 -2.643) 15.676 13.324 ( 15.674 -4.404 -4.164) 16.805 14.400 ( -9.588 0.868 2.401) 9.922 14.449 ( -8.315 -3.859 1.272) 9.254 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.38 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 11.027 7.738 -4.749) 14.283 1.449 ( 8.773 -6.870 -6.343) 12.822 1.742 ( -2.078 5.021 0.513) 5.458 1.790 ( -4.608 0.089 -1.060) 4.730 1.979 ( -1.106 0.592 -1.448) 1.916 2.059 ( -0.872 -5.399 -0.873) 5.538 2.234 ( -8.352 -2.089 -6.015) 10.502 2.304 ( -11.314 -6.193 -10.415) 16.578 3.348 ( 9.834 5.616 7.001) 13.314 3.417 ( 9.374 -0.028 6.095) 11.182 3.587 ( -0.597 6.865 5.541) 8.842 3.698 ( -2.198 -2.661 7.285) 8.062 3.903 ( 0.210 15.145 -2.466) 15.346 4.099 ( -3.846 7.866 -1.867) 8.952 4.235 ( -3.524 -6.120 -3.964) 8.098 4.373 ( -6.217 -7.894 -6.155) 11.784 4.828 ( 5.201 2.270 2.246) 6.104 4.885 ( 5.680 -3.142 2.127) 6.830 5.089 ( -6.187 2.151 1.094) 6.641 5.152 ( -5.761 -3.871 0.107) 6.942 5.690 ( 3.038 11.314 2.809) 12.047 5.915 ( -1.713 4.591 -0.639) 4.942 5.934 ( 2.489 -7.656 -0.119) 8.051 6.054 ( 1.420 -5.569 1.379) 5.910 6.350 ( -3.648 10.476 -7.314) 13.287 6.468 ( -8.578 10.640 -6.354) 15.072 6.634 ( -3.962 -14.061 -3.479) 15.017 6.764 ( -9.302 -14.549 -3.169) 17.557 7.415 ( 8.735 5.733 -0.475) 10.459 7.552 ( 7.581 -5.895 -1.282) 9.689 7.710 ( -3.340 2.471 -4.234) 5.932 7.821 ( -2.531 -6.273 -5.263) 8.571 8.756 ( 7.220 6.361 6.204) 11.449 8.921 ( 6.679 -9.889 5.156) 12.999 9.018 ( -4.379 5.919 1.158) 7.453 9.170 ( -3.973 -9.144 0.213) 9.972 10.335 ( 15.336 4.702 16.216) 22.809 10.411 ( 12.556 -2.435 12.868) 18.143 10.780 ( 0.405 12.932 3.400) 13.378 10.964 ( -8.143 -5.082 11.407) 14.908 11.388 ( 4.666 1.706 -6.853) 8.464 11.415 ( 4.213 -0.292 -4.160) 5.928 11.672 ( -9.223 10.665 -3.481) 14.523 11.856 ( -11.402 -6.992 -2.520) 13.610 13.561 ( 15.144 3.980 -3.111) 15.964 13.659 ( 15.486 -5.445 -5.221) 17.226 14.163 ( -12.537 2.424 0.329) 12.773 14.239 ( -11.385 -4.863 -1.360) 12.454 ======================= Grid point 220 (80/120) ======================= q-point: (-0.50 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -10.156 5.708 -5.971) 13.091 1.558 ( 10.156 5.708 -5.971) 13.091 1.672 ( -5.438 -3.922 -6.768) 9.527 1.672 ( 5.438 -3.922 -6.768) 9.527 2.016 ( -4.183 2.541 -5.016) 7.008 2.016 ( 4.183 2.541 -5.016) 7.008 2.139 ( -0.851 -8.384 -2.710) 8.852 2.139 ( 0.851 -8.384 -2.710) 8.852 3.493 ( -3.232 8.432 4.613) 10.140 3.493 ( 3.232 8.432 4.613) 10.140 3.624 ( -4.503 -4.439 7.642) 9.919 3.624 ( 4.503 -4.439 7.642) 9.919 3.974 ( -6.101 15.585 -2.081) 16.865 3.974 ( 6.101 15.585 -2.081) 16.865 4.255 ( -4.262 -10.281 -3.351) 11.623 4.255 ( 4.262 -10.281 -3.351) 11.623 4.939 ( -4.533 3.640 1.885) 6.112 4.939 ( 4.533 3.640 1.885) 6.112 5.031 ( -4.785 -4.657 1.216) 6.786 5.031 ( 4.785 -4.657 1.216) 6.786 5.801 ( -6.401 12.088 0.064) 13.678 5.801 ( 6.401 12.088 0.064) 13.678 6.032 ( -3.859 -9.692 -2.306) 10.684 6.032 ( 3.859 -9.692 -2.306) 10.684 6.336 ( -3.186 11.044 -5.467) 12.729 6.336 ( 3.186 11.044 -5.467) 12.729 6.625 ( -3.198 -16.234 -3.197) 16.852 6.625 ( 3.198 -16.234 -3.197) 16.852 7.583 ( -6.340 6.032 -1.958) 8.967 7.583 ( 6.340 6.032 -1.958) 8.967 7.725 ( -5.925 -7.531 -3.287) 10.131 7.725 ( 5.925 -7.531 -3.287) 10.131 8.900 ( -6.310 5.854 3.946) 9.469 8.900 ( 6.310 5.854 3.946) 9.469 9.058 ( -6.081 -9.797 3.437) 12.032 9.058 ( 6.081 -9.797 3.437) 12.032 10.638 ( -2.051 6.566 12.045) 13.871 10.638 ( 2.051 6.566 12.045) 13.871 10.715 ( -6.676 -1.063 13.810) 15.376 10.715 ( 6.676 -1.063 13.810) 15.376 11.491 ( -6.876 7.237 -5.163) 11.239 11.491 ( 6.876 7.237 -5.163) 11.239 11.618 ( -10.737 -4.709 -5.655) 13.017 11.618 ( 10.737 -4.709 -5.655) 13.017 13.876 ( -14.196 3.648 -1.986) 14.791 13.876 ( 14.196 3.648 -1.986) 14.791 13.972 ( -13.631 -5.589 -3.768) 15.206 13.972 ( 13.631 -5.589 -3.768) 15.206 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 0.000 12.885) 12.885 1.699 ( 0.000 0.000 -5.260) 5.260 1.871 ( 0.000 0.000 7.684) 7.684 2.046 ( 0.000 0.000 10.607) 10.607 2.202 ( 0.000 0.000 10.716) 10.716 2.233 ( 0.000 0.000 7.751) 7.751 2.281 ( 0.000 0.000 -6.091) 6.091 2.628 ( 0.000 0.000 -9.635) 9.635 2.904 ( 0.000 0.000 6.416) 6.416 2.971 ( 0.000 0.000 -0.797) 0.797 3.035 ( 0.000 0.000 -4.785) 4.785 3.076 ( 0.000 0.000 -4.646) 4.646 3.889 ( 0.000 0.000 -0.951) 0.951 4.050 ( 0.000 0.000 -5.593) 5.593 4.268 ( 0.000 0.000 9.330) 9.330 4.463 ( 0.000 0.000 1.197) 1.197 4.993 ( 0.000 0.000 6.346) 6.346 5.307 ( 0.000 0.000 -7.223) 7.223 5.414 ( 0.000 0.000 7.293) 7.293 5.492 ( 0.000 0.000 -1.037) 1.037 5.806 ( 0.000 0.000 1.931) 1.931 5.972 ( 0.000 0.000 -7.013) 7.013 5.977 ( 0.000 0.000 -3.778) 3.778 5.982 ( 0.000 0.000 -0.987) 0.987 6.285 ( 0.000 0.000 7.826) 7.826 6.623 ( 0.000 0.000 -6.482) 6.482 7.004 ( 0.000 0.000 6.630) 6.630 7.260 ( 0.000 0.000 11.868) 11.868 7.335 ( 0.000 0.000 -6.454) 6.454 7.817 ( 0.000 0.000 -9.839) 9.839 7.919 ( 0.000 0.000 0.285) 0.285 8.041 ( 0.000 0.000 -5.683) 5.683 8.501 ( 0.000 0.000 5.206) 5.206 8.718 ( 0.000 0.000 7.452) 7.452 8.835 ( 0.000 0.000 2.954) 2.954 9.009 ( 0.000 0.000 -4.948) 4.948 9.194 ( 0.000 0.000 5.603) 5.603 10.116 ( 0.000 0.000 -23.848) 23.848 10.556 ( 0.000 0.000 9.268) 9.268 10.863 ( 0.000 0.000 -5.508) 5.508 10.929 ( 0.000 0.000 3.332) 3.332 11.151 ( 0.000 0.000 -5.920) 5.920 12.238 ( 0.000 0.000 12.283) 12.283 12.592 ( 0.000 0.000 -0.935) 0.935 12.686 ( 0.000 0.000 0.946) 0.946 12.870 ( 0.000 0.000 -3.741) 3.741 14.792 ( 0.000 0.000 2.660) 2.660 14.888 ( 0.000 0.000 -1.795) 1.795 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 3.368 0.000 12.043) 12.506 1.571 ( -18.511 0.000 15.259) 23.990 1.702 ( 0.124 0.000 -4.351) 4.353 1.892 ( -11.394 0.000 2.327) 11.629 2.218 ( -5.893 0.000 -4.306) 7.298 2.245 ( 1.348 0.000 6.438) 6.577 2.397 ( 7.718 0.000 0.539) 7.737 2.610 ( -1.383 0.000 -9.491) 9.591 2.958 ( -1.278 0.000 -0.518) 1.379 2.994 ( 7.862 0.000 6.901) 10.461 3.062 ( -1.386 0.000 -4.400) 4.613 3.164 ( 11.010 0.000 0.427) 11.019 3.873 ( -1.496 0.000 -0.365) 1.539 4.029 ( -2.048 0.000 -5.012) 5.414 4.262 ( -0.510 0.000 9.330) 9.344 4.453 ( -1.022 0.000 1.304) 1.657 5.002 ( 0.832 0.000 7.018) 7.067 5.306 ( -0.491 0.000 -5.839) 5.860 5.367 ( -3.982 0.000 6.214) 7.380 5.461 ( -2.847 0.000 -1.558) 3.246 5.756 ( -5.128 0.000 0.303) 5.137 5.855 ( -10.466 0.000 0.203) 10.468 5.913 ( -6.211 0.000 -2.289) 6.619 5.953 ( -1.955 0.000 -6.872) 7.145 6.271 ( 0.516 0.000 5.156) 5.182 6.561 ( -5.234 0.000 -7.948) 9.517 6.992 ( -0.050 0.000 7.881) 7.881 7.283 ( 1.632 0.000 7.909) 8.076 7.345 ( 0.721 0.000 -2.760) 2.853 7.808 ( -0.909 0.000 -8.752) 8.799 7.890 ( 2.930 0.000 6.818) 7.421 8.271 ( 12.640 0.000 -10.887) 16.682 8.423 ( -2.717 0.000 6.369) 6.924 8.766 ( -0.431 0.000 -7.086) 7.099 8.846 ( 2.797 0.000 5.019) 5.745 9.057 ( 4.526 0.000 -5.101) 6.820 9.391 ( 18.499 0.000 14.682) 23.617 10.289 ( 14.759 0.000 -21.811) 26.336 10.508 ( -4.420 0.000 9.088) 10.106 10.810 ( -5.007 0.000 -5.398) 7.363 10.951 ( 2.205 0.000 4.118) 4.671 11.167 ( 1.203 0.000 -5.534) 5.663 12.058 ( -12.610 0.000 14.597) 19.290 12.477 ( -10.060 0.000 -4.971) 11.221 12.846 ( 13.655 0.000 3.413) 14.075 13.044 ( 12.573 0.000 -5.236) 13.620 14.726 ( -6.254 0.000 2.531) 6.747 14.817 ( -6.367 0.000 -1.623) 6.571 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -11.174 0.000 15.174) 18.844 1.443 ( 4.986 0.000 9.691) 10.898 1.672 ( -7.629 0.000 -5.019) 9.131 1.697 ( -0.662 0.000 -2.178) 2.276 2.038 ( -10.745 0.000 -1.767) 10.890 2.301 ( 4.009 0.000 3.507) 5.326 2.408 ( -5.888 0.000 -11.655) 13.058 2.587 ( -0.455 0.000 -8.819) 8.831 2.913 ( -2.968 0.000 0.123) 2.971 3.017 ( -2.910 0.000 -4.012) 4.956 3.222 ( 12.218 0.000 10.208) 15.921 3.418 ( 11.503 0.000 3.217) 11.944 3.830 ( -2.454 0.000 0.946) 2.630 3.957 ( -4.741 0.000 -3.018) 5.620 4.251 ( -0.404 0.000 9.270) 9.278 4.417 ( -2.483 0.000 2.482) 3.511 5.025 ( 1.139 0.000 8.520) 8.596 5.266 ( -3.358 0.000 -1.233) 3.577 5.273 ( -4.135 0.000 4.089) 5.816 5.379 ( -4.691 0.000 -1.851) 5.043 5.607 ( -10.807 0.000 3.509) 11.362 5.626 ( -5.565 0.000 -6.940) 8.895 5.748 ( -8.732 0.000 -2.598) 9.110 5.857 ( -7.546 0.000 -10.625) 13.032 6.338 ( 5.277 0.000 2.688) 5.922 6.482 ( -0.703 0.000 -5.041) 5.090 7.019 ( 2.402 0.000 9.066) 9.379 7.291 ( -1.209 0.000 -0.198) 1.225 7.392 ( 4.079 0.000 5.540) 6.880 7.774 ( -2.439 0.000 -7.430) 7.820 8.010 ( 6.568 0.000 8.801) 10.981 8.401 ( -0.691 0.000 -9.166) 9.192 8.426 ( 2.475 0.000 2.576) 3.572 8.714 ( -3.173 0.000 -11.319) 11.756 9.044 ( 15.223 0.000 3.415) 15.601 9.210 ( 10.298 0.000 -4.274) 11.150 9.879 ( 25.350 0.000 17.445) 30.773 10.372 ( -8.202 0.000 8.461) 11.784 10.653 ( -9.703 0.000 -5.018) 10.924 10.661 ( 18.528 0.000 -17.686) 25.614 11.025 ( 4.670 0.000 3.929) 6.103 11.185 ( 0.169 0.000 -3.927) 3.931 11.777 ( -13.457 0.000 17.218) 21.853 12.238 ( -12.226 0.000 -4.672) 13.088 13.157 ( 15.247 0.000 1.967) 15.374 13.355 ( 16.232 0.000 -7.452) 17.861 14.527 ( -12.289 0.000 2.842) 12.613 14.637 ( -10.294 0.000 -2.379) 10.565 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 3.788 0.000 7.609) 8.500 1.546 ( 4.407 0.000 6.290) 7.680 1.574 ( -4.783 0.000 -12.360) 13.253 1.672 ( -1.692 0.000 0.142) 1.698 1.820 ( -5.766 0.000 0.251) 5.772 2.198 ( -12.827 0.000 -14.390) 19.277 2.410 ( 6.007 0.000 0.926) 6.078 2.588 ( -0.173 0.000 -6.544) 6.546 2.847 ( -2.391 0.000 -0.117) 2.394 2.941 ( -4.145 0.000 -3.875) 5.674 3.460 ( 9.732 0.000 8.509) 12.927 3.622 ( 7.494 0.000 3.314) 8.194 3.765 ( -4.054 0.000 2.922) 4.997 3.843 ( -5.236 0.000 -0.386) 5.251 4.252 ( 0.688 0.000 9.046) 9.072 4.351 ( -3.425 0.000 5.445) 6.433 5.048 ( 1.342 0.000 8.469) 8.575 5.184 ( -3.988 0.000 1.564) 4.284 5.212 ( -1.455 0.000 2.734) 3.097 5.275 ( -4.475 0.000 0.824) 4.551 5.453 ( -3.416 0.000 0.602) 3.469 5.548 ( -1.640 0.000 -12.463) 12.570 5.570 ( -7.498 0.000 -2.961) 8.062 5.678 ( -7.747 0.000 -14.441) 16.387 6.459 ( 5.246 0.000 1.706) 5.517 6.514 ( 2.278 0.000 -1.271) 2.609 7.085 ( 3.644 0.000 9.310) 9.998 7.244 ( -3.027 0.000 3.509) 4.634 7.498 ( 5.476 0.000 1.821) 5.771 7.706 ( -3.856 0.000 -5.869) 7.022 8.128 ( 4.508 0.000 5.132) 6.831 8.324 ( -5.091 0.000 -3.845) 6.380 8.500 ( 3.927 0.000 -1.300) 4.136 8.649 ( -3.051 0.000 -8.938) 9.444 9.377 ( 14.660 0.000 2.030) 14.800 9.490 ( 14.177 0.000 -3.223) 14.539 10.182 ( -8.558 0.000 6.720) 10.881 10.407 ( -13.104 0.000 -4.061) 13.719 10.411 ( 23.992 0.000 16.372) 29.046 10.996 ( 11.281 0.000 -8.450) 14.095 11.099 ( -2.369 0.000 2.098) 3.164 11.193 ( 2.527 0.000 -4.280) 4.970 11.532 ( -6.240 0.000 15.883) 17.065 11.961 ( -13.932 0.000 -4.135) 14.533 13.493 ( 16.495 0.000 2.163) 16.636 13.709 ( 16.605 0.000 -8.452) 18.632 14.225 ( -15.549 0.000 3.414) 15.919 14.386 ( -13.306 0.000 -4.412) 14.018 ======================= Grid point 256 (85/120) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -12.773 0.000 -2.329) 12.984 1.352 ( 12.773 0.000 -2.329) 12.984 1.624 ( -2.924 0.000 2.829) 4.068 1.624 ( 2.924 0.000 2.829) 4.068 1.920 ( -11.697 0.000 -10.839) 15.946 1.920 ( 11.697 0.000 -10.839) 15.946 2.535 ( -4.996 0.000 -1.770) 5.300 2.535 ( 4.996 0.000 -1.770) 5.300 2.855 ( -3.130 0.000 -2.977) 4.320 2.855 ( 3.130 0.000 -2.977) 4.320 3.636 ( -6.987 0.000 5.596) 8.952 3.636 ( 6.987 0.000 5.596) 8.952 3.750 ( -4.224 0.000 1.907) 4.634 3.750 ( 4.224 0.000 1.907) 4.634 4.285 ( -2.487 0.000 8.086) 8.460 4.285 ( 2.487 0.000 8.086) 8.460 5.100 ( -3.599 0.000 4.862) 6.049 5.100 ( 3.599 0.000 4.862) 6.049 5.212 ( -1.422 0.000 2.210) 2.628 5.212 ( 1.422 0.000 2.210) 2.628 5.452 ( -3.088 0.000 -2.257) 3.825 5.452 ( 3.088 0.000 -2.257) 3.825 5.562 ( -3.048 0.000 -14.627) 14.941 5.562 ( 3.048 0.000 -14.627) 14.941 6.531 ( -1.224 0.000 0.635) 1.379 6.531 ( 1.224 0.000 0.635) 1.379 7.168 ( -3.981 0.000 7.477) 8.471 7.168 ( 3.981 0.000 7.477) 8.471 7.612 ( -5.017 0.000 -2.745) 5.719 7.612 ( 5.017 0.000 -2.745) 5.719 8.219 ( -4.515 0.000 0.475) 4.540 8.219 ( 4.515 0.000 0.475) 4.540 8.580 ( -3.517 0.000 -5.126) 6.216 8.580 ( 3.517 0.000 -5.126) 6.216 9.621 ( -5.423 0.000 1.178) 5.549 9.621 ( 5.423 0.000 1.178) 5.549 10.147 ( -8.295 0.000 -0.288) 8.300 10.147 ( 8.295 0.000 -0.288) 8.300 10.865 ( -17.871 0.000 12.317) 21.704 10.865 ( 17.871 0.000 12.317) 21.704 11.156 ( -5.123 0.000 -2.049) 5.518 11.156 ( 5.123 0.000 -2.049) 5.518 11.659 ( -13.608 0.000 -0.761) 13.630 11.659 ( 13.608 0.000 -0.761) 13.630 13.843 ( -14.967 0.000 1.406) 15.033 13.843 ( 14.967 0.000 1.406) 15.033 14.086 ( -13.521 0.000 -5.370) 14.548 14.086 ( 13.521 0.000 -5.370) 14.548 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 3.622 10.779) 11.371 1.671 ( 0.000 -2.227 -3.460) 4.115 1.922 ( 0.000 4.026 6.690) 7.808 2.037 ( 0.000 0.919 9.342) 9.387 2.140 ( 0.000 -4.360 8.113) 9.210 2.274 ( 0.000 1.116 -8.928) 8.997 2.360 ( 0.000 6.724 11.224) 13.084 2.759 ( 0.000 9.241 -4.518) 10.286 2.899 ( 0.000 -1.712 8.262) 8.437 2.977 ( 0.000 -3.417 -3.561) 4.936 3.031 ( 0.000 5.348 -2.613) 5.952 3.103 ( 0.000 5.576 -5.058) 7.528 3.945 ( 0.000 4.681 -2.139) 5.147 4.086 ( 0.000 3.270 -5.992) 6.826 4.259 ( 0.000 -0.712 7.823) 7.855 4.469 ( 0.000 0.398 -0.640) 0.754 4.913 ( 0.000 -7.463 5.112) 9.046 5.138 ( 0.000 -11.212 -2.198) 11.425 5.396 ( 0.000 -6.974 2.297) 7.342 5.507 ( 0.000 3.657 -0.199) 3.663 5.890 ( 0.000 4.523 -0.541) 4.555 5.913 ( 0.000 -2.580 -3.610) 4.437 6.048 ( 0.000 7.118 -0.179) 7.120 6.074 ( 0.000 5.727 -3.598) 6.764 6.267 ( 0.000 -1.296 7.991) 8.096 6.575 ( 0.000 -3.254 -4.879) 5.864 7.040 ( 0.000 3.337 7.372) 8.092 7.215 ( 0.000 -5.049 11.248) 12.329 7.392 ( 0.000 5.649 -8.954) 10.588 7.672 ( 0.000 -12.994 -9.546) 16.123 7.847 ( 0.000 -6.323 -0.284) 6.330 7.975 ( 0.000 -4.093 -5.228) 6.640 8.460 ( 0.000 -2.901 8.965) 9.423 8.744 ( 0.000 -1.691 12.903) 13.013 8.900 ( 0.000 4.668 0.559) 4.701 8.952 ( 0.000 -0.870 -6.144) 6.205 9.371 ( 0.000 13.556 -2.905) 13.864 10.110 ( 0.000 -0.711 -25.204) 25.214 10.512 ( 0.000 -3.477 8.746) 9.411 10.607 ( 0.000 -10.923 3.930) 11.609 11.221 ( 0.000 6.246 -2.878) 6.877 11.264 ( 0.000 18.574 -4.580) 19.131 12.207 ( 0.000 -3.241 12.460) 12.875 12.608 ( 0.000 -0.440 -5.455) 5.473 12.673 ( 0.000 0.456 4.716) 4.738 12.868 ( 0.000 -0.004 -3.183) 3.183 14.769 ( 0.000 -2.078 2.565) 3.301 14.850 ( 0.000 -3.509 -1.016) 3.653 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -0.411 0.930 10.616) 10.665 1.602 ( -10.968 2.256 8.488) 14.051 1.694 ( -6.055 0.306 2.528) 6.568 1.925 ( -8.812 2.793 2.552) 9.590 2.194 ( -3.833 -1.447 -3.388) 5.316 2.262 ( 0.900 -0.346 2.747) 2.912 2.417 ( 3.083 2.581 0.677) 4.077 2.700 ( -4.509 3.613 -7.347) 9.347 2.968 ( 3.926 4.363 3.501) 6.835 3.003 ( 4.519 -0.257 3.795) 5.906 3.079 ( 1.089 3.036 -1.458) 3.539 3.207 ( 11.010 5.401 -0.285) 12.267 3.924 ( -1.875 4.456 -1.838) 5.172 4.055 ( -2.831 2.185 -4.174) 5.497 4.265 ( 0.548 0.460 6.701) 6.739 4.460 ( -0.986 0.459 -0.404) 1.160 4.922 ( 0.921 -7.333 5.610) 9.279 5.139 ( -0.081 -10.664 -1.479) 10.766 5.371 ( -2.508 -6.049 1.863) 6.808 5.461 ( -3.998 2.758 -0.967) 4.953 5.810 ( -7.308 3.220 0.731) 8.019 5.901 ( -2.936 1.090 -2.372) 3.929 5.949 ( -7.993 6.391 -0.492) 10.246 6.031 ( -3.433 6.775 -4.142) 8.651 6.240 ( -0.342 -2.545 5.196) 5.796 6.524 ( -5.034 -2.484 -6.999) 8.972 7.030 ( 0.134 3.501 8.229) 8.944 7.245 ( 2.189 -4.917 10.700) 11.978 7.365 ( -1.389 2.102 -7.298) 7.721 7.741 ( 4.005 -6.719 -9.290) 12.144 7.770 ( -3.409 -9.716 4.119) 11.090 8.042 ( 3.482 -14.195 -7.836) 16.584 8.452 ( 1.896 1.981 9.332) 9.727 8.890 ( -0.749 4.951 -0.271) 5.014 8.925 ( 11.405 4.917 0.563) 12.432 9.010 ( 5.616 -2.862 -3.689) 7.303 9.498 ( 13.211 10.537 5.131) 17.660 10.264 ( 12.054 -2.573 -20.805) 24.182 10.486 ( -1.640 -1.424 7.323) 7.638 10.622 ( 1.388 -8.400 3.146) 9.076 11.204 ( -1.538 10.115 -2.082) 10.441 11.259 ( -0.489 12.887 -4.302) 13.595 12.044 ( -11.869 -1.666 14.385) 18.724 12.465 ( -10.238 -1.516 -5.231) 11.596 12.850 ( 13.391 0.717 3.261) 13.801 13.034 ( 12.182 -0.844 -4.731) 13.096 14.704 ( -6.222 -2.054 2.462) 6.999 14.782 ( -6.122 -3.246 -1.010) 7.002 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -9.259 -0.631 13.351) 16.259 1.492 ( 0.580 3.314 6.806) 7.592 1.608 ( -2.910 -2.049 -1.147) 3.739 1.788 ( -3.626 5.134 -2.137) 6.639 2.019 ( -10.960 -1.396 -2.696) 11.372 2.292 ( 1.164 -2.364 1.364) 2.967 2.397 ( -4.927 -0.217 -8.715) 10.014 2.605 ( -3.729 -1.639 -7.894) 8.883 2.966 ( -0.910 7.267 -0.036) 7.324 3.057 ( -1.285 4.895 -3.389) 6.090 3.255 ( 12.660 3.511 10.971) 17.116 3.455 ( 10.987 3.287 3.880) 12.107 3.870 ( -3.071 3.763 -0.730) 4.912 3.973 ( -4.684 1.342 -1.444) 5.082 4.277 ( 0.470 2.204 5.608) 6.044 4.423 ( -2.460 0.387 1.002) 2.684 4.950 ( 1.549 -6.643 6.221) 9.233 5.134 ( -0.255 -8.539 -0.233) 8.546 5.282 ( -5.807 -3.289 2.206) 7.029 5.362 ( -4.668 -0.599 -2.293) 5.235 5.614 ( -9.614 3.756 3.729) 10.974 5.744 ( -7.941 7.058 -3.199) 11.095 5.807 ( -7.310 5.326 -2.434) 9.366 5.927 ( -6.858 6.339 -9.948) 13.645 6.288 ( 4.375 -4.417 2.757) 6.801 6.433 ( -1.514 -3.875 -4.661) 6.248 7.058 ( 2.149 3.227 9.551) 10.308 7.290 ( 0.601 -2.697 5.418) 6.082 7.355 ( 1.597 -2.426 -1.294) 3.180 7.666 ( -3.755 -10.609 -3.698) 11.846 7.878 ( 5.650 -7.246 -0.484) 9.202 8.074 ( -0.261 -20.611 -9.010) 22.495 8.536 ( 5.103 6.790 7.535) 11.355 8.855 ( -2.393 6.401 -2.702) 7.349 9.160 ( 8.578 -1.249 -1.386) 8.778 9.191 ( 13.425 5.442 -6.450) 15.857 9.906 ( 22.681 4.218 13.103) 26.531 10.365 ( -2.758 -0.821 8.821) 9.278 10.521 ( 0.187 -3.767 -5.816) 6.932 10.754 ( 14.515 2.678 -10.325) 18.013 11.174 ( -0.723 10.795 -0.159) 10.821 11.240 ( -1.383 6.270 -3.082) 7.122 11.772 ( -13.234 -0.602 16.499) 21.159 12.225 ( -12.254 -1.474 -4.804) 13.245 13.157 ( 15.086 0.135 1.658) 15.177 13.337 ( 15.875 -1.655 -6.812) 17.354 14.507 ( -12.086 -1.819 2.719) 12.521 14.606 ( -10.146 -2.856 -1.985) 10.726 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 3.774 0.365 6.660) 7.663 1.505 ( 0.281 -2.846 -4.992) 5.753 1.606 ( 0.353 2.459 0.718) 2.586 1.715 ( -5.786 2.968 -2.786) 7.075 1.805 ( -4.022 -0.952 0.672) 4.187 2.165 ( -12.161 -3.127 -13.634) 18.535 2.382 ( 3.659 -3.138 1.126) 4.950 2.542 ( -2.747 -5.379 -4.921) 7.791 2.951 ( -0.255 10.481 -0.958) 10.528 3.015 ( -2.422 8.012 -3.301) 8.997 3.497 ( 9.774 3.618 8.712) 13.584 3.651 ( 7.436 2.081 4.564) 8.970 3.793 ( -4.471 3.170 1.759) 5.756 3.870 ( -4.610 2.187 0.548) 5.132 4.286 ( 0.545 2.724 5.322) 6.003 4.362 ( -3.032 0.585 3.536) 4.695 4.985 ( 1.913 -5.235 5.426) 7.779 5.121 ( -2.657 -5.204 1.105) 5.947 5.173 ( -1.738 -3.741 1.714) 4.467 5.270 ( -3.975 -2.109 -2.110) 4.970 5.460 ( -4.158 4.208 3.195) 6.724 5.582 ( -8.108 4.426 -3.408) 9.846 5.680 ( -2.836 8.178 -7.999) 11.786 5.776 ( -6.307 7.450 -12.068) 15.521 6.393 ( 4.695 -5.929 1.789) 7.772 6.451 ( 1.723 -5.528 -1.175) 5.909 7.113 ( 2.969 1.372 9.964) 10.487 7.252 ( -3.075 -1.062 5.212) 6.144 7.436 ( 4.646 -6.032 -1.580) 7.776 7.597 ( -3.040 -9.540 -5.850) 11.596 7.970 ( 2.997 -8.873 -0.196) 9.368 8.052 ( -1.501 -17.727 -5.648) 18.665 8.639 ( 4.349 8.312 3.267) 9.933 8.794 ( -3.209 7.760 -3.084) 8.946 9.361 ( 9.965 -4.818 0.725) 11.092 9.460 ( 9.905 -2.512 -4.301) 11.087 10.217 ( 0.533 6.052 6.865) 9.167 10.429 ( -7.290 3.828 -2.299) 8.549 10.477 ( 19.941 4.791 15.750) 25.858 11.075 ( 10.622 5.264 -8.951) 14.855 11.163 ( -3.801 6.865 0.276) 7.852 11.217 ( 2.156 1.877 -2.588) 3.856 11.521 ( -7.391 -1.013 15.158) 16.894 11.947 ( -14.004 -1.466 -4.409) 14.755 13.490 ( 16.282 -0.251 1.759) 16.379 13.686 ( 16.440 -2.220 -7.819) 18.340 14.210 ( -15.319 -1.340 3.093) 15.685 14.357 ( -13.252 -2.717 -4.032) 14.116 ======================= Grid point 265 (90/120) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -12.228 -0.115 -2.735) 12.530 1.349 ( 12.228 -0.115 -2.735) 12.530 1.632 ( -3.000 0.441 1.502) 3.384 1.632 ( 3.000 0.441 1.502) 3.384 1.904 ( -10.568 -1.340 -9.604) 14.343 1.904 ( 10.568 -1.340 -9.604) 14.343 2.471 ( -4.077 -6.082 -1.362) 7.448 2.471 ( 4.077 -6.082 -1.362) 7.448 2.967 ( -1.773 10.681 -2.530) 11.118 2.967 ( 1.773 10.681 -2.530) 11.118 3.671 ( -6.874 3.257 5.531) 9.405 3.671 ( 6.874 3.257 5.531) 9.405 3.777 ( -4.682 2.369 2.573) 5.844 3.777 ( 4.682 2.369 2.573) 5.844 4.309 ( -1.764 1.726 5.082) 5.650 4.309 ( 1.764 1.726 5.082) 5.650 5.041 ( -3.448 -4.420 3.248) 6.478 5.041 ( 3.448 -4.420 3.248) 6.478 5.199 ( -2.607 -3.101 -0.133) 4.054 5.199 ( 2.607 -3.101 -0.133) 4.054 5.450 ( -3.255 3.874 -0.961) 5.150 5.450 ( 3.255 3.874 -0.961) 5.150 5.680 ( -2.489 8.222 -11.010) 13.965 5.680 ( 2.489 8.222 -11.010) 13.965 6.461 ( -1.334 -6.299 0.638) 6.470 6.461 ( 1.334 -6.299 0.638) 6.470 7.181 ( -3.394 -0.713 8.369) 9.059 7.181 ( 3.394 -0.713 8.369) 9.059 7.527 ( -3.747 -7.468 -5.087) 9.783 7.527 ( 3.747 -7.468 -5.087) 9.783 8.017 ( -1.773 -12.486 -1.861) 12.748 8.017 ( 1.773 -12.486 -1.861) 12.748 8.722 ( -3.595 8.306 -0.903) 9.096 8.722 ( 3.595 8.306 -0.903) 9.096 9.528 ( -3.913 -8.714 0.283) 9.556 9.528 ( 3.913 -8.714 0.283) 9.556 10.267 ( -6.249 11.482 1.038) 13.113 10.267 ( 6.249 11.482 1.038) 13.113 10.907 ( -17.863 3.467 12.536) 22.097 10.907 ( 17.863 3.467 12.536) 22.097 11.205 ( -3.426 4.299 -2.386) 5.992 11.205 ( 3.426 4.299 -2.386) 5.992 11.641 ( -13.979 -1.772 -1.619) 14.184 11.641 ( 13.979 -1.772 -1.619) 14.184 13.834 ( -14.464 -0.776 1.015) 14.520 13.834 ( 14.464 -0.776 1.015) 14.520 14.059 ( -13.181 -2.548 -4.904) 14.293 14.059 ( 13.181 -2.548 -4.904) 14.293 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.000 3.075 7.034) 7.677 1.617 ( 0.000 -3.147 -1.552) 3.509 2.009 ( 0.000 4.442 6.775) 8.102 2.074 ( 0.000 -1.603 6.347) 6.546 2.082 ( 0.000 2.549 4.766) 5.405 2.278 ( 0.000 -1.781 -2.695) 3.231 2.471 ( 0.000 5.588 5.207) 7.638 2.821 ( 0.000 -4.587 12.974) 13.761 2.845 ( 0.000 -3.089 7.475) 8.088 2.879 ( 0.000 -2.771 -9.534) 9.929 3.296 ( 0.000 18.312 -2.062) 18.428 3.364 ( 0.000 18.406 -4.775) 19.015 4.023 ( 0.000 1.244 -0.146) 1.252 4.155 ( 0.000 2.308 -6.500) 6.898 4.263 ( 0.000 2.004 0.805) 2.160 4.468 ( 0.000 -0.969 -5.314) 5.402 4.726 ( 0.000 -9.629 3.518) 10.252 4.902 ( 0.000 -11.588 -2.409) 11.835 5.270 ( 0.000 -4.615 5.131) 6.901 5.503 ( 0.000 -4.469 -4.384) 6.261 5.863 ( 0.000 -1.896 1.063) 2.174 5.920 ( 0.000 -1.046 -0.693) 1.255 6.180 ( 0.000 3.965 0.394) 3.985 6.227 ( 0.000 4.057 -0.448) 4.081 6.280 ( 0.000 7.839 8.071) 11.251 6.564 ( 0.000 3.072 -3.635) 4.759 7.075 ( 0.000 -7.905 5.434) 9.592 7.120 ( 0.000 3.443 8.481) 9.153 7.399 ( 0.000 -11.352 -8.501) 14.183 7.511 ( 0.000 3.949 -5.721) 6.952 7.716 ( 0.000 -4.535 -1.458) 4.763 7.895 ( 0.000 -3.931 -5.710) 6.932 8.403 ( 0.000 -2.557 12.459) 12.719 8.618 ( 0.000 -8.510 14.385) 16.713 8.979 ( 0.000 2.872 -4.202) 5.090 8.988 ( 0.000 2.539 -9.144) 9.490 9.654 ( 0.000 12.895 -9.168) 15.822 10.076 ( 0.000 -2.877 -22.311) 22.495 10.450 ( 0.000 -2.096 7.770) 8.048 10.461 ( 0.000 -3.649 5.325) 6.455 11.379 ( 0.000 9.009 3.353) 9.613 11.622 ( 0.000 15.476 -5.115) 16.299 12.110 ( 0.000 -5.533 11.017) 12.328 12.520 ( 0.000 -7.137 -6.379) 9.572 12.743 ( 0.000 4.850 3.599) 6.039 12.874 ( 0.000 0.518 -1.656) 1.736 14.718 ( 0.000 -2.611 2.368) 3.525 14.765 ( 0.000 -4.352 0.501) 4.381 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -5.004 1.083 8.139) 9.615 1.573 ( -4.198 -3.934 -0.782) 5.806 1.804 ( -9.976 8.919 10.529) 17.027 1.980 ( -5.670 2.434 4.454) 7.610 2.168 ( -1.649 -1.231 -1.756) 2.705 2.228 ( -2.641 -3.087 -0.280) 4.072 2.442 ( -2.414 -0.155 -1.214) 2.707 2.661 ( -8.220 -5.660 -3.319) 10.517 2.988 ( 10.493 -0.180 9.705) 14.294 3.056 ( 9.091 1.923 3.784) 10.033 3.309 ( 1.577 17.681 -0.426) 17.756 3.422 ( 5.188 15.779 -2.738) 16.834 4.002 ( -1.865 1.299 -0.489) 2.325 4.106 ( -3.988 3.010 -4.164) 6.504 4.284 ( 1.540 1.084 -0.370) 1.920 4.455 ( -1.392 -1.624 -4.981) 5.421 4.745 ( 1.942 -8.550 3.797) 9.555 4.913 ( 1.016 -11.023 -2.091) 11.266 5.259 ( -1.169 -4.086 4.386) 6.107 5.455 ( -4.403 -3.556 -3.469) 6.638 5.849 ( -3.641 0.304 1.340) 3.892 5.888 ( -0.983 -1.706 -0.405) 2.011 6.099 ( -7.936 6.283 1.603) 10.248 6.196 ( -1.981 0.345 1.828) 2.718 6.212 ( -3.801 9.471 2.196) 10.439 6.526 ( -5.005 3.678 -6.423) 8.935 7.085 ( 1.356 -8.351 4.466) 9.566 7.120 ( -0.837 2.749 9.578) 9.999 7.338 ( -2.990 -7.022 -6.341) 9.922 7.563 ( -3.182 -9.116 5.295) 11.012 7.626 ( 0.866 -1.195 -11.797) 11.889 7.838 ( -3.715 -6.503 -5.827) 9.489 8.490 ( 7.308 1.879 11.629) 13.863 8.830 ( 13.875 -8.740 9.607) 19.005 8.970 ( -0.329 2.977 -1.961) 3.580 9.040 ( 5.269 1.311 -9.667) 11.088 9.760 ( 10.160 13.127 -5.229) 17.404 10.195 ( 8.822 -3.799 -14.052) 17.021 10.468 ( 1.818 -0.445 6.303) 6.575 10.524 ( 6.900 -1.621 1.269) 7.201 11.363 ( -1.472 8.287 2.938) 8.915 11.584 ( -3.467 15.097 -5.008) 16.279 11.984 ( -9.916 -3.822 12.507) 16.412 12.397 ( -9.447 -5.586 -5.746) 12.388 12.885 ( 11.608 2.739 2.388) 12.164 13.017 ( 11.019 -0.864 -3.291) 11.533 14.654 ( -6.089 -2.534 2.281) 6.979 14.702 ( -5.695 -4.126 0.226) 7.036 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -7.226 1.154 9.752) 12.192 1.466 ( -4.401 -4.554 -1.451) 6.497 1.689 ( -1.619 8.273 6.826) 10.847 1.879 ( -3.508 3.464 2.324) 5.451 2.004 ( -11.200 0.459 -6.082) 12.753 2.200 ( -1.941 -5.902 -0.680) 6.250 2.363 ( -5.271 -3.750 -5.333) 8.384 2.493 ( -7.047 -8.009 -5.461) 11.984 3.161 ( 5.069 8.622 3.875) 10.726 3.218 ( 4.527 9.062 0.385) 10.137 3.403 ( 8.334 11.906 6.995) 16.129 3.559 ( 6.937 8.320 2.917) 11.218 3.951 ( -2.813 2.015 -1.080) 3.625 4.008 ( -4.888 3.210 -1.062) 5.944 4.313 ( 0.929 0.145 -0.967) 1.349 4.404 ( -3.227 -3.331 -3.108) 5.583 4.806 ( 3.491 -5.897 3.483) 7.687 4.945 ( 1.996 -9.195 -1.444) 9.519 5.211 ( -3.602 -2.670 2.671) 5.218 5.332 ( -6.532 -2.683 -1.827) 7.294 5.711 ( -7.258 4.763 5.086) 10.061 5.867 ( -3.719 3.070 -1.886) 5.178 5.925 ( -5.881 6.269 -1.282) 8.690 6.101 ( -7.474 10.518 -7.472) 14.910 6.189 ( 1.505 -4.396 4.149) 6.229 6.389 ( -5.286 1.505 -5.261) 7.608 7.039 ( -3.556 -12.085 7.211) 14.515 7.174 ( 1.682 -3.665 3.541) 5.367 7.259 ( -2.167 -7.070 -1.035) 7.467 7.511 ( 0.119 -2.259 -1.767) 2.870 7.694 ( 2.820 -10.477 -7.559) 13.223 7.803 ( 0.909 -5.276 -4.488) 6.986 8.651 ( 6.909 4.867 9.724) 12.883 8.955 ( -1.214 3.603 -1.745) 4.183 9.050 ( 7.881 -6.839 2.703) 10.779 9.221 ( 8.867 -3.828 -6.065) 11.404 10.079 ( 19.062 10.749 3.500) 22.162 10.356 ( 6.424 0.125 3.238) 7.195 10.519 ( 2.828 3.124 5.415) 6.861 10.789 ( 16.841 0.650 -10.112) 19.655 11.319 ( -2.585 6.125 2.225) 7.011 11.482 ( -5.930 13.430 -4.489) 15.352 11.744 ( -12.182 -2.099 13.909) 18.608 12.167 ( -11.938 -4.624 -5.175) 13.808 13.169 ( 14.459 1.171 0.745) 14.525 13.296 ( 14.877 -2.201 -5.124) 15.888 14.464 ( -11.532 -2.058 2.271) 11.933 14.534 ( -9.982 -3.926 -1.022) 10.775 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 3.774 2.189 4.130) 6.007 1.439 ( 1.866 -3.699 -6.057) 7.338 1.671 ( -2.433 3.660 1.503) 4.645 1.737 ( -11.292 -0.592 -3.226) 11.759 1.834 ( -0.790 4.271 -0.213) 4.349 2.082 ( -9.735 -4.494 -10.226) 14.817 2.280 ( -0.660 -6.578 0.139) 6.613 2.380 ( -4.063 -9.898 -2.566) 11.003 3.229 ( 1.888 15.088 0.201) 15.207 3.260 ( 0.497 14.972 -1.443) 15.050 3.604 ( 9.085 6.578 7.142) 13.297 3.696 ( 5.820 2.909 6.233) 9.011 3.884 ( -3.868 4.004 -0.900) 5.639 3.908 ( -4.458 2.080 2.779) 5.650 4.319 ( -0.285 -1.036 -1.412) 1.774 4.338 ( -2.490 -4.014 -1.298) 4.898 4.882 ( 3.592 -3.618 2.734) 5.785 4.994 ( 2.002 -6.255 -0.926) 6.632 5.111 ( -4.549 -1.758 1.745) 5.179 5.209 ( -4.984 -3.477 -1.987) 6.393 5.595 ( -2.987 7.974 5.573) 10.177 5.727 ( -7.514 8.854 -0.964) 11.653 5.853 ( -2.000 7.883 -5.863) 10.026 5.942 ( -5.977 8.928 -10.946) 15.337 6.249 ( 3.573 -7.180 2.667) 8.452 6.336 ( -0.819 -4.187 -1.475) 4.514 6.983 ( -1.396 -16.484 5.121) 17.318 7.078 ( -5.784 -16.371 1.512) 17.429 7.349 ( 6.058 1.502 0.086) 6.242 7.511 ( -0.913 2.046 -4.808) 5.304 7.758 ( 3.292 -10.653 -1.780) 11.292 7.833 ( 0.832 -5.530 -3.584) 6.642 8.772 ( 4.635 5.232 5.640) 8.982 8.917 ( -2.341 4.772 -0.773) 5.372 9.204 ( 6.505 -9.016 2.360) 11.365 9.336 ( 1.850 -8.968 -3.444) 9.783 10.454 ( 9.128 14.330 3.393) 17.325 10.530 ( 10.497 5.213 3.497) 12.230 10.599 ( 9.535 7.385 13.586) 18.167 11.155 ( 15.159 1.493 -10.737) 18.636 11.246 ( -5.296 1.845 4.478) 7.176 11.351 ( -5.416 9.783 -3.845) 11.825 11.497 ( -8.964 -1.040 11.422) 14.557 11.894 ( -13.790 -3.994 -5.049) 15.219 13.490 ( 15.774 0.514 0.600) 15.794 13.628 ( 16.016 -3.154 -6.071) 17.416 14.180 ( -14.792 -1.316 2.091) 14.997 14.285 ( -13.245 -4.009 -2.981) 14.156 ======================= Grid point 274 (95/120) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -11.065 1.749 -3.827) 11.838 1.362 ( 11.065 1.749 -3.827) 11.838 1.621 ( -4.551 -2.098 -2.873) 5.777 1.621 ( 4.551 -2.098 -2.873) 5.777 1.888 ( -6.391 0.680 -5.032) 8.162 1.888 ( 6.391 0.680 -5.032) 8.162 2.308 ( -2.642 -9.326 -0.497) 9.706 2.308 ( 2.642 -9.326 -0.497) 9.706 3.256 ( -0.755 16.610 -0.994) 16.657 3.256 ( 0.755 16.610 -0.994) 16.657 3.765 ( -5.268 5.807 4.060) 8.829 3.765 ( 5.268 5.807 4.060) 8.829 3.817 ( -3.623 0.981 4.306) 5.712 3.817 ( 3.623 0.981 4.306) 5.712 4.312 ( -0.068 -2.804 -1.239) 3.067 4.312 ( 0.068 -2.804 -1.239) 3.067 4.961 ( -3.891 -2.422 1.982) 4.993 4.961 ( 3.891 -2.422 1.982) 4.993 5.114 ( -3.733 -4.293 -1.696) 5.936 5.114 ( 3.733 -4.293 -1.696) 5.936 5.600 ( -3.499 9.634 2.343) 10.514 5.600 ( 3.499 9.634 2.343) 10.514 5.856 ( -2.240 8.676 -9.340) 12.943 5.856 ( 2.240 8.676 -9.340) 12.943 6.313 ( -1.960 -7.174 0.738) 7.474 6.313 ( 1.960 -7.174 0.738) 7.474 6.990 ( -2.234 -18.135 3.122) 18.537 6.990 ( 2.234 -18.135 3.122) 18.537 7.459 ( -3.958 2.441 -2.756) 5.405 7.459 ( 3.958 2.441 -2.756) 5.405 7.820 ( -2.073 -7.528 -1.661) 7.983 7.820 ( 2.073 -7.528 -1.661) 7.983 8.856 ( -3.388 5.320 1.644) 6.518 8.856 ( 3.388 5.320 1.644) 6.518 9.314 ( -3.492 -11.232 0.536) 11.775 9.314 ( 3.492 -11.232 0.536) 11.775 10.561 ( -2.391 15.801 3.292) 16.316 10.561 ( 2.391 15.801 3.292) 16.316 10.977 ( -17.608 2.811 12.836) 21.970 10.977 ( 17.608 2.811 12.836) 21.970 11.298 ( -1.248 4.324 -3.035) 5.428 11.298 ( 1.248 4.324 -3.035) 5.428 11.588 ( -14.348 -3.468 -3.870) 15.260 11.588 ( 14.348 -3.468 -3.870) 15.260 13.822 ( -13.278 -0.058 0.035) 13.279 13.822 ( 13.278 -0.058 0.035) 13.279 13.990 ( -12.422 -4.071 -3.766) 13.604 13.990 ( 12.422 -4.071 -3.766) 13.604 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.000 2.722 3.932) 4.782 1.548 ( 0.000 -3.440 1.043) 3.595 2.077 ( 0.000 1.548 4.388) 4.653 2.104 ( 0.000 4.839 5.983) 7.695 2.107 ( 0.000 -0.474 2.253) 2.303 2.202 ( 0.000 -4.791 3.754) 6.086 2.607 ( 0.000 6.777 -3.764) 7.752 2.728 ( 0.000 -5.876 -1.952) 6.191 2.768 ( 0.000 0.443 16.017) 16.023 2.829 ( 0.000 -3.789 6.668) 7.669 3.671 ( 0.000 16.952 0.332) 16.955 3.759 ( 0.000 18.399 -3.569) 18.742 3.951 ( 0.000 -7.826 2.206) 8.131 4.094 ( 0.000 -10.295 -5.169) 11.520 4.341 ( 0.000 4.667 -7.582) 8.903 4.420 ( 0.000 -3.174 -9.749) 10.253 4.608 ( 0.000 -0.448 1.993) 2.043 4.694 ( 0.000 -8.106 -1.536) 8.250 5.240 ( 0.000 2.213 3.080) 3.793 5.356 ( 0.000 -8.213 -2.164) 8.493 5.852 ( 0.000 0.705 1.731) 1.869 5.882 ( 0.000 -2.012 0.407) 2.053 6.230 ( 0.000 1.302 3.852) 4.066 6.243 ( 0.000 -0.033 4.929) 4.929 6.505 ( 0.000 10.676 1.778) 10.823 6.637 ( 0.000 0.073 -1.375) 1.377 6.958 ( 0.000 -0.739 -0.268) 0.786 7.067 ( 0.000 -8.057 -1.418) 8.181 7.341 ( 0.000 4.867 3.156) 5.801 7.468 ( 0.000 -6.257 4.557) 7.741 7.735 ( 0.000 4.183 -7.942) 8.976 7.817 ( 0.000 -3.803 -6.709) 7.712 8.378 ( 0.000 0.854 12.607) 12.636 8.456 ( 0.000 -6.603 12.614) 14.238 9.019 ( 0.000 1.134 -8.361) 8.437 9.023 ( 0.000 0.774 -9.837) 9.868 9.866 ( 0.000 8.059 -11.697) 14.204 9.995 ( 0.000 -5.013 -14.795) 15.621 10.429 ( 0.000 -0.254 4.689) 4.696 10.429 ( 0.000 -0.326 2.731) 2.750 11.579 ( 0.000 10.384 9.142) 13.835 11.760 ( 0.000 -4.696 8.198) 9.448 12.112 ( 0.000 8.854 -3.533) 9.533 12.336 ( 0.000 -10.792 -7.068) 12.900 12.833 ( 0.000 3.539 1.888) 4.011 12.876 ( 0.000 -0.753 0.185) 0.776 14.679 ( 0.000 -0.845 2.130) 2.292 14.693 ( 0.000 -2.279 1.621) 2.796 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -5.965 2.529 5.133) 8.266 1.487 ( -5.329 -4.059 1.886) 6.959 1.992 ( -6.545 8.791 7.126) 13.073 2.035 ( -4.117 3.384 5.032) 7.329 2.120 ( -0.599 -3.972 2.055) 4.513 2.141 ( -4.743 -5.262 2.043) 7.372 2.451 ( -8.695 1.945 -5.384) 10.410 2.534 ( -9.536 -5.878 -4.341) 12.014 3.011 ( 13.898 2.336 10.962) 17.854 3.058 ( 13.299 -1.603 7.779) 15.490 3.670 ( 0.089 16.242 1.329) 16.296 3.783 ( 1.770 16.944 -2.518) 17.222 3.938 ( -1.063 -6.635 2.262) 7.090 4.100 ( 0.266 -8.316 -4.777) 9.594 4.300 ( -3.351 2.511 -6.701) 7.901 4.384 ( -3.243 -4.375 -9.643) 11.074 4.653 ( 3.904 0.015 1.665) 4.245 4.724 ( 2.705 -6.773 -1.085) 7.374 5.233 ( -0.814 2.043 2.569) 3.382 5.335 ( -2.153 -6.986 -1.929) 7.561 5.842 ( -0.977 -0.127 1.365) 1.684 5.855 ( -1.967 -1.325 0.859) 2.523 6.179 ( -5.154 1.969 4.308) 7.000 6.195 ( -3.628 0.042 4.940) 6.129 6.450 ( -4.175 11.927 0.420) 12.644 6.610 ( -2.860 -0.200 -2.744) 3.969 6.930 ( -4.592 -1.764 -2.218) 5.396 7.058 ( -2.204 -9.892 -3.328) 10.667 7.285 ( -3.301 4.405 4.928) 7.388 7.403 ( -3.879 -6.784 6.836) 10.383 7.668 ( -2.613 3.302 -9.288) 10.198 7.739 ( -3.887 -3.822 -6.945) 8.828 8.541 ( 11.517 3.684 11.612) 16.764 8.655 ( 13.773 -7.582 10.942) 19.155 9.016 ( 0.208 1.697 -6.195) 6.427 9.041 ( 2.002 -0.791 -8.995) 9.249 9.979 ( 9.904 8.305 -7.524) 14.956 10.109 ( 9.348 -4.952 -8.676) 13.681 10.479 ( 4.960 1.541 3.607) 6.324 10.509 ( 7.861 -0.893 -1.206) 8.003 11.547 ( -2.953 9.620 8.505) 13.176 11.718 ( -3.930 -4.817 8.357) 10.416 12.014 ( -8.059 9.822 -2.953) 13.044 12.236 ( -8.150 -10.061 -6.215) 14.362 12.948 ( 9.818 3.004 0.747) 10.294 12.995 ( 9.796 -1.531 -1.271) 9.996 14.617 ( -5.817 -0.715 1.938) 6.173 14.633 ( -5.579 -2.291 1.276) 6.164 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -5.698 3.507 5.475) 8.645 1.365 ( -4.633 -4.994 1.305) 6.936 1.864 ( -5.415 7.476 4.181) 10.134 1.928 ( -6.393 1.248 3.661) 7.472 2.032 ( -5.132 1.209 -1.627) 5.518 2.090 ( -2.076 -4.076 0.353) 4.588 2.276 ( -7.554 -2.630 -5.815) 9.889 2.331 ( -9.585 -6.819 -7.544) 13.974 3.284 ( 11.339 4.148 8.465) 14.746 3.325 ( 11.381 0.879 6.507) 13.140 3.680 ( 0.929 13.472 3.752) 14.015 3.815 ( 0.957 12.319 0.320) 12.360 3.913 ( -1.313 -2.578 2.390) 3.753 4.089 ( -1.522 -0.926 -4.585) 4.919 4.221 ( -3.803 -4.942 -4.694) 7.805 4.302 ( -3.951 -6.040 -9.089) 11.607 4.755 ( 5.260 0.446 1.448) 5.474 4.801 ( 4.406 -4.398 -0.242) 6.230 5.194 ( -3.075 1.301 1.141) 3.528 5.257 ( -5.066 -4.188 -1.263) 6.693 5.790 ( -2.613 3.201 3.313) 5.296 5.853 ( 1.110 -2.865 0.083) 3.074 6.043 ( -6.668 4.563 1.895) 8.299 6.113 ( -3.553 -2.896 2.189) 5.079 6.351 ( -5.258 13.245 -1.075) 14.291 6.514 ( -6.022 6.396 -4.690) 9.958 6.743 ( -10.041 -10.195 -1.003) 14.344 6.906 ( -10.627 -16.084 -5.474) 20.040 7.306 ( 5.050 5.536 5.470) 9.277 7.427 ( 5.251 -6.184 4.282) 9.173 7.636 ( -0.711 2.796 -7.217) 7.772 7.714 ( 0.624 -4.167 -6.397) 7.660 8.754 ( 7.571 5.638 8.829) 12.925 8.888 ( 7.247 -7.500 6.046) 12.055 9.033 ( 1.276 3.453 -2.622) 4.520 9.118 ( 4.103 -5.027 -4.713) 8.020 10.255 ( 15.617 6.146 2.983) 17.046 10.340 ( 12.059 -2.384 2.343) 12.514 10.638 ( 9.570 7.499 1.307) 12.228 10.762 ( 14.976 -3.817 -7.228) 17.062 11.457 ( -5.456 7.368 6.774) 11.399 11.594 ( -7.623 -4.684 8.466) 12.318 11.813 ( -10.354 10.980 -3.103) 15.407 12.028 ( -11.055 -9.062 -5.437) 15.294 13.204 ( 13.707 2.192 -0.810) 13.905 13.251 ( 13.840 -2.254 -2.918) 14.323 14.438 ( -10.808 -0.148 1.386) 10.898 14.464 ( -10.198 -2.592 0.186) 10.524 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 4.095 4.528 0.565) 6.132 1.351 ( 3.979 -4.987 -3.321) 7.192 1.719 ( -11.217 1.397 -3.395) 11.802 1.743 ( -8.868 0.125 -2.571) 9.234 1.956 ( -1.736 7.393 -0.186) 7.596 2.029 ( -4.040 0.320 -2.943) 5.009 2.141 ( -4.257 -6.274 -2.591) 8.012 2.172 ( -4.537 -9.557 -2.043) 10.774 3.481 ( 7.071 8.358 5.348) 12.184 3.523 ( 6.845 6.700 3.661) 10.254 3.708 ( 1.649 5.289 5.969) 8.144 3.822 ( -0.481 1.600 3.548) 3.922 3.888 ( -0.379 6.431 1.727) 6.669 4.032 ( -3.917 7.540 -4.191) 9.473 4.158 ( -1.497 -11.835 -3.160) 12.341 4.227 ( -3.208 -8.391 -7.246) 11.541 4.864 ( 5.004 1.298 1.355) 5.345 4.904 ( 5.079 -2.662 -0.154) 5.737 5.101 ( -5.401 0.702 0.432) 5.463 5.140 ( -5.523 -2.989 -1.039) 6.365 5.760 ( 0.155 7.983 3.751) 8.822 5.880 ( 0.056 0.989 -1.909) 2.151 5.925 ( -3.317 2.914 -0.585) 4.453 6.040 ( -4.009 -4.072 -4.122) 7.046 6.255 ( -2.031 12.594 0.043) 12.756 6.378 ( -5.976 9.785 -3.496) 11.987 6.598 ( -3.540 -18.774 0.207) 19.105 6.697 ( -8.017 -18.927 -3.330) 20.823 7.439 ( 6.485 5.820 2.576) 9.087 7.556 ( 5.411 -3.393 0.733) 6.429 7.626 ( -0.368 1.556 -3.240) 3.613 7.723 ( -0.410 -5.490 -4.370) 7.029 8.876 ( 4.671 5.505 5.198) 8.896 8.985 ( 2.096 -1.463 0.574) 2.620 9.055 ( 1.025 -1.301 2.807) 3.259 9.157 ( -0.720 -7.728 -1.405) 7.888 10.608 ( 14.140 3.066 8.357) 16.709 10.626 ( 17.129 1.849 8.993) 19.434 10.838 ( 7.325 14.245 2.788) 16.259 11.077 ( 11.846 -8.517 -3.612) 15.031 11.328 ( -5.564 5.227 3.546) 8.418 11.421 ( -6.566 -3.194 4.514) 8.585 11.589 ( -10.538 9.852 -4.001) 14.970 11.775 ( -12.737 -7.787 -5.449) 15.892 13.515 ( 15.393 1.958 -1.242) 15.567 13.566 ( 15.541 -2.903 -3.645) 16.224 14.170 ( -14.167 0.622 0.448) 14.188 14.209 ( -13.557 -3.113 -1.414) 13.981 ======================= Grid point 283 (100/120) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -9.682 4.733 -5.144) 11.942 1.428 ( 9.682 4.733 -5.144) 11.942 1.539 ( -7.944 -5.534 -5.746) 11.259 1.539 ( 7.944 -5.534 -5.746) 11.259 1.956 ( -1.830 6.008 -1.125) 6.380 1.956 ( 1.830 6.008 -1.125) 6.380 2.115 ( -1.031 -9.189 -0.233) 9.249 2.115 ( 1.031 -9.189 -0.233) 9.249 3.578 ( -1.761 13.559 3.354) 14.079 3.578 ( 1.761 13.559 3.354) 14.079 3.767 ( -3.903 -5.207 5.703) 8.653 3.767 ( 3.903 -5.207 5.703) 8.653 3.937 ( -4.348 10.234 -1.018) 11.166 3.937 ( 4.348 10.234 -1.018) 11.166 4.167 ( -2.087 -10.815 -4.756) 11.998 4.167 ( 2.087 -10.815 -4.756) 11.998 4.965 ( -3.554 2.462 0.801) 4.396 4.965 ( 3.554 2.462 0.801) 4.396 5.033 ( -3.505 -3.791 -0.697) 5.210 5.033 ( 3.505 -3.791 -0.697) 5.210 5.805 ( -3.880 9.807 0.676) 10.568 5.805 ( 3.880 9.807 0.676) 10.568 5.954 ( -3.417 -2.537 -4.421) 6.136 5.954 ( 3.417 -2.537 -4.421) 6.136 6.279 ( -3.320 7.956 -0.892) 8.666 6.279 ( 3.320 7.956 -0.892) 8.666 6.585 ( -2.376 -19.433 -0.953) 19.601 6.585 ( 2.376 -19.433 -0.953) 19.601 7.554 ( -3.972 5.882 -0.807) 7.143 7.554 ( 3.972 5.882 -0.807) 7.143 7.681 ( -3.539 -6.483 -1.209) 7.484 7.681 ( 3.539 -6.483 -1.209) 7.484 8.963 ( -3.295 5.774 2.081) 6.966 8.963 ( 3.295 5.774 2.081) 6.966 9.107 ( -3.250 -8.708 1.497) 9.414 9.107 ( 3.250 -8.708 1.497) 9.414 10.845 ( -7.197 11.124 7.626) 15.287 10.845 ( 7.197 11.124 7.626) 15.287 10.987 ( -15.002 -2.779 11.892) 19.344 10.987 ( 15.002 -2.779 11.892) 19.344 11.387 ( -7.401 4.962 -4.890) 10.164 11.387 ( 7.401 4.962 -4.890) 10.164 11.498 ( -12.542 -5.387 -5.643) 14.771 11.498 ( 12.542 -5.387 -5.643) 14.771 13.842 ( -12.205 2.125 -1.171) 12.444 13.842 ( 12.205 2.125 -1.171) 12.444 13.906 ( -11.909 -3.939 -2.441) 12.779 13.906 ( 11.909 -3.939 -2.441) 12.779 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.000 0.000 -9.528) 9.528 1.546 ( 0.000 0.000 9.528) 9.528 2.020 ( 0.000 0.000 -7.133) 7.133 2.020 ( 0.000 0.000 7.133) 7.133 2.306 ( 0.000 0.000 -1.572) 1.572 2.306 ( 0.000 0.000 1.572) 1.572 2.421 ( 0.000 0.000 -10.068) 10.068 2.421 ( 0.000 0.000 10.068) 10.068 2.974 ( 0.000 0.000 -1.661) 1.661 2.974 ( 0.000 0.000 1.661) 1.661 2.995 ( 0.000 0.000 -2.902) 2.902 2.995 ( 0.000 0.000 2.902) 2.902 3.933 ( 0.000 0.000 -4.817) 4.817 3.933 ( 0.000 0.000 4.817) 4.817 4.423 ( 0.000 0.000 -5.166) 5.166 4.423 ( 0.000 0.000 5.166) 5.166 5.140 ( 0.000 0.000 -8.086) 8.086 5.140 ( 0.000 0.000 8.086) 8.086 5.484 ( 0.000 0.000 -0.632) 0.632 5.484 ( 0.000 0.000 0.632) 0.632 5.867 ( 0.000 0.000 -3.811) 3.811 5.867 ( 0.000 0.000 3.811) 3.811 5.955 ( 0.000 0.000 -1.032) 1.032 5.955 ( 0.000 0.000 1.032) 1.032 6.461 ( 0.000 0.000 -8.808) 8.808 6.461 ( 0.000 0.000 8.808) 8.808 7.155 ( 0.000 0.000 -7.897) 7.897 7.155 ( 0.000 0.000 7.897) 7.897 7.567 ( 0.000 0.000 -14.045) 14.045 7.567 ( 0.000 0.000 14.045) 14.045 7.950 ( 0.000 0.000 -2.969) 2.969 7.950 ( 0.000 0.000 2.969) 2.969 8.638 ( 0.000 0.000 -7.789) 7.789 8.638 ( 0.000 0.000 7.789) 7.789 8.913 ( 0.000 0.000 -4.357) 4.357 8.913 ( 0.000 0.000 4.357) 4.357 9.593 ( 0.000 0.000 -25.515) 25.515 9.593 ( 0.000 0.000 25.515) 25.515 10.729 ( 0.000 0.000 -7.510) 7.510 10.729 ( 0.000 0.000 7.510) 7.510 11.030 ( 0.000 0.000 -5.708) 5.708 11.030 ( 0.000 0.000 5.708) 5.708 12.465 ( 0.000 0.000 -9.340) 9.340 12.465 ( 0.000 0.000 9.340) 9.340 12.773 ( 0.000 0.000 -5.294) 5.294 12.773 ( 0.000 0.000 5.294) 5.294 14.845 ( 0.000 0.000 -2.397) 2.397 14.845 ( 0.000 0.000 2.397) 2.397 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 1.795 0.000 -8.704) 8.888 1.566 ( 1.795 0.000 8.704) 8.888 1.812 ( -15.102 0.000 -8.798) 17.478 1.812 ( -15.102 0.000 8.798) 17.478 2.293 ( -3.259 0.000 -8.218) 8.841 2.293 ( -3.259 0.000 8.218) 8.841 2.411 ( -0.578 0.000 -9.352) 9.370 2.411 ( -0.578 0.000 9.352) 9.370 2.984 ( -1.071 0.000 -2.839) 3.034 2.984 ( -1.071 0.000 2.839) 3.034 3.125 ( 12.011 0.000 -4.880) 12.964 3.125 ( 12.011 0.000 4.880) 12.964 3.921 ( -1.144 0.000 -4.677) 4.815 3.921 ( -1.144 0.000 4.677) 4.815 4.416 ( -0.666 0.000 -5.028) 5.072 4.416 ( -0.666 0.000 5.028) 5.072 5.154 ( 1.133 0.000 -7.892) 7.973 5.154 ( 1.133 0.000 7.892) 7.973 5.436 ( -4.109 0.000 -1.425) 4.349 5.436 ( -4.109 0.000 1.425) 4.349 5.827 ( -4.746 0.000 -5.456) 7.231 5.827 ( -4.746 0.000 5.456) 7.231 5.872 ( -7.312 0.000 -1.646) 7.495 5.872 ( -7.312 0.000 1.646) 7.495 6.399 ( -3.407 0.000 -7.319) 8.073 6.399 ( -3.407 0.000 7.319) 8.073 7.161 ( 0.837 0.000 -8.240) 8.282 7.161 ( 0.837 0.000 8.240) 8.282 7.577 ( 0.667 0.000 -13.096) 13.113 7.577 ( 0.667 0.000 13.096) 13.113 8.059 ( 8.267 0.000 -9.489) 12.585 8.059 ( 8.267 0.000 9.489) 12.585 8.576 ( -3.975 0.000 -8.890) 9.738 8.576 ( -3.975 0.000 8.890) 9.738 8.952 ( 4.258 0.000 -5.167) 6.695 8.952 ( 4.258 0.000 5.167) 6.695 9.814 ( 18.355 0.000 -23.298) 29.660 9.814 ( 18.355 0.000 23.298) 29.660 10.678 ( -4.749 0.000 -7.363) 8.762 10.678 ( -4.749 0.000 7.363) 8.762 11.054 ( 2.065 0.000 -5.416) 5.797 11.054 ( 2.065 0.000 5.416) 5.797 12.318 ( -10.479 0.000 -10.372) 14.744 12.318 ( -10.479 0.000 10.372) 14.744 12.936 ( 12.005 0.000 -5.087) 13.038 12.936 ( 12.005 0.000 5.087) 13.038 14.776 ( -6.327 0.000 -2.271) 6.722 14.776 ( -6.327 0.000 2.271) 6.722 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -12.245 0.000 -10.778) 16.313 1.503 ( -12.245 0.000 10.778) 16.313 1.611 ( 2.064 0.000 -6.303) 6.633 1.611 ( 2.064 0.000 6.303) 6.633 2.156 ( -9.200 0.000 -11.214) 14.505 2.156 ( -9.200 0.000 11.214) 14.505 2.415 ( 1.253 0.000 -7.398) 7.504 2.415 ( 1.253 0.000 7.398) 7.504 2.945 ( -2.693 0.000 -2.740) 3.842 2.945 ( -2.693 0.000 2.740) 3.842 3.393 ( 11.904 0.000 -5.542) 13.131 3.393 ( 11.904 0.000 5.542) 13.131 3.882 ( -2.496 0.000 -3.766) 4.518 3.882 ( -2.496 0.000 3.766) 4.518 4.398 ( -0.928 0.000 -4.381) 4.478 4.398 ( -0.928 0.000 4.381) 4.478 5.182 ( 1.382 0.000 -6.601) 6.744 5.182 ( 1.382 0.000 6.601) 6.744 5.335 ( -4.762 0.000 -2.355) 5.313 5.335 ( -4.762 0.000 2.355) 5.313 5.648 ( -11.000 0.000 -8.072) 13.643 5.648 ( -11.000 0.000 8.072) 13.643 5.682 ( -9.666 0.000 -3.634) 10.327 5.682 ( -9.666 0.000 3.634) 10.327 6.398 ( 3.233 0.000 -3.302) 4.621 6.398 ( 3.233 0.000 3.302) 4.621 7.194 ( 2.160 0.000 -7.105) 7.426 7.194 ( 2.160 0.000 7.105) 7.426 7.583 ( -0.200 0.000 -10.368) 10.370 7.583 ( -0.200 0.000 10.368) 10.370 8.203 ( 3.993 0.000 -9.750) 10.536 8.203 ( 3.993 0.000 9.750) 10.536 8.521 ( -1.050 0.000 -6.954) 7.033 8.521 ( -1.050 0.000 6.954) 7.033 9.123 ( 12.108 0.000 -4.137) 12.795 9.123 ( 12.108 0.000 4.137) 12.795 10.271 ( 23.091 0.000 -19.648) 30.319 10.271 ( 23.091 0.000 19.648) 30.319 10.531 ( -9.044 0.000 -6.849) 11.345 10.531 ( -9.044 0.000 6.849) 11.345 11.105 ( 2.372 0.000 -3.876) 4.545 11.105 ( 2.372 0.000 3.876) 4.545 12.074 ( -12.252 0.000 -11.321) 16.681 12.074 ( -12.252 0.000 11.321) 16.681 13.227 ( 15.152 0.000 -4.859) 15.913 13.227 ( 15.152 0.000 4.859) 15.913 14.584 ( -11.528 0.000 -2.714) 11.843 14.584 ( -11.528 0.000 2.714) 11.843 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -2.512 0.000 -10.164) 10.470 1.344 ( -2.512 0.000 10.164) 10.470 1.644 ( 1.026 0.000 -3.065) 3.232 1.644 ( 1.026 0.000 3.065) 3.232 1.933 ( -10.613 0.000 -10.221) 14.734 1.933 ( -10.613 0.000 10.221) 14.734 2.467 ( 3.333 0.000 -4.658) 5.728 2.467 ( 3.333 0.000 4.658) 5.728 2.874 ( -3.650 0.000 -2.476) 4.410 2.874 ( -3.650 0.000 2.476) 4.410 3.603 ( 7.749 0.000 -4.730) 9.079 3.603 ( 7.749 0.000 4.730) 9.079 3.818 ( -3.443 0.000 -1.964) 3.964 3.818 ( -3.443 0.000 1.964) 3.964 4.381 ( -0.555 0.000 -2.753) 2.809 4.381 ( -0.555 0.000 2.753) 2.809 5.207 ( 0.851 0.000 -3.685) 3.782 5.207 ( 0.852 0.000 3.685) 3.782 5.257 ( -2.286 0.000 -1.848) 2.939 5.257 ( -2.286 0.000 1.848) 2.939 5.430 ( -8.211 0.000 -5.779) 10.041 5.430 ( -8.211 0.000 5.779) 10.041 5.501 ( -6.683 0.000 -3.372) 7.485 5.501 ( -6.683 0.000 3.372) 7.485 6.489 ( 4.187 0.000 -1.268) 4.375 6.489 ( 4.187 0.000 1.268) 4.375 7.241 ( 1.963 0.000 -4.353) 4.775 7.241 ( 1.963 0.000 4.353) 4.775 7.573 ( -0.577 0.000 -5.783) 5.812 7.573 ( -0.577 0.000 5.783) 5.812 8.232 ( -0.337 0.000 -4.901) 4.913 8.232 ( -0.337 0.000 4.901) 4.913 8.519 ( 0.463 0.000 -3.486) 3.517 8.519 ( 0.463 0.000 3.486) 3.517 9.427 ( 14.871 0.000 -2.768) 15.126 9.427 ( 14.871 0.000 2.768) 15.126 10.308 ( -11.228 0.000 -5.503) 12.504 10.308 ( -11.228 0.000 5.503) 12.504 10.740 ( 20.030 0.000 -14.992) 25.019 10.740 ( 20.030 0.000 14.992) 25.019 11.139 ( 0.323 0.000 -1.987) 2.013 11.139 ( 0.323 0.000 1.987) 2.013 11.810 ( -11.975 0.000 -10.545) 15.956 11.810 ( -11.975 0.000 10.545) 15.956 13.568 ( 16.677 0.000 -5.220) 17.475 13.568 ( 16.677 0.000 5.220) 17.475 14.300 ( -14.898 0.000 -3.892) 15.398 14.300 ( -14.898 0.000 3.892) 15.398 ======================= Grid point 323 (105/120) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 0.000 -0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.793 ( -0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 3.716 ( -0.000 0.000 0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 3.748 ( -0.000 0.000 -0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 -0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 -0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 -0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 6.539 ( 0.000 0.000 0.000) 0.000 6.539 ( 0.000 0.000 0.000) 0.000 7.265 ( 0.000 0.000 -0.000) 0.000 7.265 ( 0.000 0.000 0.000) 0.000 7.566 ( 0.000 0.000 -0.000) 0.000 7.566 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 9.634 ( -0.000 0.000 0.000) 0.000 9.634 ( 0.000 0.000 0.000) 0.000 10.144 ( 0.000 0.000 0.000) 0.000 10.144 ( 0.000 0.000 0.000) 0.000 11.040 ( 0.000 0.000 -0.000) 0.000 11.040 ( 0.000 0.000 0.000) 0.000 11.092 ( -0.000 0.000 0.000) 0.000 11.092 ( -0.000 0.000 0.000) 0.000 11.649 ( 0.000 0.000 -0.000) 0.000 11.649 ( 0.000 0.000 0.000) 0.000 13.863 ( -0.000 0.000 0.000) 0.000 13.863 ( 0.000 0.000 0.000) 0.000 14.024 ( 0.000 0.000 -0.000) 0.000 14.024 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 0.000 0.321 -7.857) 7.863 1.552 ( 0.000 0.321 7.857) 7.863 2.059 ( 0.000 3.469 -6.553) 7.414 2.059 ( 0.000 3.469 6.553) 7.414 2.202 ( 0.000 -4.660 -1.335) 4.847 2.202 ( 0.000 -4.660 1.335) 4.847 2.598 ( 0.000 9.309 -10.660) 14.152 2.598 ( 0.000 9.309 10.660) 14.152 2.968 ( 0.000 -0.082 -0.793) 0.798 2.968 ( 0.000 -0.082 0.793) 0.798 3.028 ( 0.000 5.090 -1.816) 5.404 3.028 ( 0.000 5.090 1.816) 5.404 3.964 ( 0.000 2.850 -4.431) 5.269 3.964 ( 0.000 2.850 4.431) 5.269 4.405 ( 0.000 -1.732 -5.563) 5.826 4.405 ( 0.000 -1.732 5.563) 5.826 5.035 ( 0.000 -9.234 -6.417) 11.245 5.035 ( 0.000 -9.234 6.417) 11.245 5.463 ( 0.000 -2.335 -3.494) 4.202 5.463 ( 0.000 -2.335 3.494) 4.202 5.884 ( 0.000 1.434 -0.048) 1.435 5.884 ( 0.000 1.434 0.048) 1.435 6.042 ( 0.000 7.256 -0.079) 7.256 6.042 ( 0.000 7.256 0.079) 7.256 6.439 ( 0.000 -1.289 -8.046) 8.148 6.439 ( 0.000 -1.289 8.046) 8.148 7.207 ( 0.000 4.696 -8.750) 9.930 7.207 ( 0.000 4.696 8.750) 9.930 7.454 ( 0.000 -10.180 -11.425) 15.302 7.454 ( 0.000 -10.180 11.425) 15.302 7.880 ( 0.000 -5.247 -3.524) 6.320 7.880 ( 0.000 -5.247 3.524) 6.320 8.671 ( 0.000 1.995 -10.959) 11.139 8.671 ( 0.000 1.995 10.959) 11.139 8.930 ( 0.000 0.299 -1.223) 1.259 8.930 ( 0.000 0.299 1.223) 1.259 9.606 ( 0.000 2.080 -21.974) 22.072 9.606 ( 0.000 2.080 21.974) 22.072 10.631 ( 0.000 -6.275 -2.281) 6.676 10.631 ( 0.000 -6.275 2.281) 6.676 11.200 ( 0.000 13.079 -1.138) 13.128 11.200 ( 0.000 13.079 1.138) 13.128 12.442 ( 0.000 -2.670 -10.048) 10.396 12.442 ( 0.000 -2.670 10.048) 10.396 12.780 ( 0.000 0.999 -5.079) 5.176 12.780 ( 0.000 0.999 5.079) 5.176 14.817 ( 0.000 -2.500 -2.034) 3.222 14.817 ( 0.000 -2.500 2.034) 3.222 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -0.788 -1.475 -7.070) 7.265 1.550 ( -0.788 -1.475 7.070) 7.265 1.860 ( -12.678 4.427 -7.927) 15.594 1.860 ( -12.678 4.427 7.927) 15.594 2.235 ( -1.039 -3.221 -5.623) 6.563 2.235 ( -1.039 -3.221 5.623) 6.563 2.512 ( -5.177 5.149 -8.992) 11.583 2.512 ( -5.177 5.149 8.992) 11.583 3.008 ( 0.028 3.610 -2.310) 4.286 3.008 ( 0.028 3.610 2.310) 4.286 3.164 ( 12.673 4.185 -5.308) 14.363 3.164 ( 12.673 4.185 5.308) 14.363 3.948 ( -1.469 2.508 -4.358) 5.238 3.948 ( -1.469 2.508 4.358) 5.238 4.401 ( -0.377 -1.442 -5.248) 5.456 4.401 ( -0.377 -1.442 5.248) 5.456 5.046 ( 1.008 -9.211 -6.168) 11.131 5.046 ( 1.008 -9.211 6.168) 11.131 5.421 ( -3.712 -1.822 -2.598) 4.884 5.421 ( -3.712 -1.822 2.598) 4.884 5.850 ( -3.735 2.129 -2.658) 5.054 5.850 ( -3.735 2.129 2.658) 5.054 5.966 ( -7.105 7.821 -2.124) 10.778 5.966 ( -7.105 7.821 2.124) 10.778 6.371 ( -4.118 -2.002 -7.310) 8.625 6.371 ( -4.118 -2.002 7.310) 8.625 7.203 ( 0.431 3.510 -8.175) 8.907 7.203 ( 0.431 3.510 8.175) 8.907 7.496 ( 2.019 -8.034 -12.873) 15.308 7.496 ( 2.019 -8.034 12.873) 15.308 7.891 ( 1.183 -11.371 -6.809) 13.306 7.891 ( 1.183 -11.371 6.809) 13.306 8.683 ( 1.727 6.296 -12.706) 14.285 8.683 ( 1.727 6.296 12.706) 14.285 8.969 ( 4.066 0.891 -3.009) 5.136 8.969 ( 4.066 0.891 3.009) 5.136 9.812 ( 17.311 0.608 -21.040) 27.253 9.812 ( 17.311 0.608 21.040) 27.253 10.618 ( -1.382 -4.047 -3.741) 5.682 10.618 ( -1.382 -4.047 3.741) 5.682 11.195 ( -0.359 11.573 -1.488) 11.673 11.195 ( -0.359 11.573 1.488) 11.673 12.303 ( -10.219 -1.829 -10.461) 14.738 12.303 ( -10.219 -1.829 10.461) 14.738 12.935 ( 11.643 0.078 -4.718) 12.563 12.935 ( 11.643 0.078 4.718) 12.563 14.750 ( -6.244 -2.415 -1.962) 6.977 14.750 ( -6.244 -2.415 1.962) 6.977 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -8.379 -3.286 -8.275) 12.226 1.451 ( -8.379 -3.286 8.275) 12.226 1.688 ( -2.327 5.707 -6.339) 8.842 1.688 ( -2.327 5.707 6.339) 8.842 2.125 ( -8.764 -2.608 -10.555) 13.965 2.125 ( -8.764 -2.608 10.555) 13.965 2.441 ( -1.313 0.640 -7.219) 7.366 2.441 ( -1.313 0.640 7.219) 7.366 2.994 ( -1.195 6.177 -2.460) 6.755 2.994 ( -1.195 6.177 2.460) 6.755 3.437 ( 11.859 4.103 -5.793) 13.822 3.437 ( 11.859 4.103 5.793) 13.822 3.903 ( -2.642 1.975 -3.777) 5.015 3.903 ( -2.642 1.975 3.777) 5.015 4.389 ( -0.705 -0.958 -4.156) 4.323 4.389 ( -0.705 -0.958 4.156) 4.323 5.071 ( 1.176 -8.944 -5.210) 10.417 5.071 ( 1.176 -8.944 5.210) 10.417 5.322 ( -5.167 -1.583 -1.651) 5.650 5.322 ( -5.167 -1.583 1.651) 5.650 5.719 ( -8.206 5.359 -6.144) 11.567 5.719 ( -8.206 5.359 6.144) 11.567 5.762 ( -10.497 7.572 -1.739) 13.059 5.762 ( -10.497 7.572 1.739) 13.059 6.352 ( 2.330 -3.933 -3.414) 5.705 6.352 ( 2.330 -3.933 3.414) 5.705 7.235 ( 2.382 3.521 -6.546) 7.805 7.235 ( 2.382 3.521 6.546) 7.805 7.496 ( -1.731 -9.337 -10.254) 13.976 7.496 ( -1.731 -9.337 10.254) 13.976 7.934 ( 2.583 -15.781 -5.030) 16.764 7.934 ( 2.583 -15.781 5.030) 16.764 8.718 ( 0.761 10.090 -9.284) 13.733 8.718 ( 0.761 10.090 9.284) 13.733 9.132 ( 11.212 0.318 -0.463) 11.226 9.132 ( 11.212 0.318 0.463) 11.226 10.226 ( 18.204 -2.075 -15.940) 24.286 10.226 ( 18.204 -2.075 15.940) 24.286 10.583 ( -0.169 3.690 -7.881) 8.703 10.583 ( -0.169 3.690 7.881) 8.703 11.189 ( -0.120 7.684 -1.759) 7.883 11.189 ( -0.120 7.684 1.759) 7.883 12.061 ( -12.249 -1.447 -11.142) 16.622 12.061 ( -12.249 -1.447 11.142) 16.622 13.220 ( 14.882 -0.604 -4.426) 15.538 13.220 ( 14.882 -0.604 4.426) 15.538 14.560 ( -11.415 -2.221 -2.450) 11.884 14.560 ( -11.415 -2.221 2.450) 11.884 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -1.921 -1.416 -9.126) 9.433 1.326 ( -1.921 -1.416 9.126) 9.433 1.669 ( -0.960 1.948 -2.852) 3.584 1.669 ( -0.960 1.948 2.852) 3.584 1.913 ( -9.629 -1.611 -9.607) 13.697 1.913 ( -9.629 -1.611 9.607) 13.697 2.442 ( 0.874 -3.393 -4.321) 5.563 2.442 ( 0.874 -3.393 4.321) 5.563 2.961 ( -1.651 9.251 -1.768) 9.562 2.961 ( -1.651 9.251 1.768) 9.562 3.644 ( 7.529 3.694 -4.816) 9.671 3.644 ( 7.529 3.694 4.816) 9.671 3.842 ( -3.058 2.229 -2.603) 4.593 3.842 ( -3.058 2.229 2.603) 4.593 4.373 ( -0.696 -1.046 -2.329) 2.647 4.373 ( -0.696 -1.046 2.329) 2.647 5.093 ( 1.006 -8.080 -4.332) 9.223 5.093 ( 1.006 -8.080 4.332) 9.223 5.217 ( -4.414 -3.053 -2.873) 6.088 5.217 ( -4.414 -3.053 2.873) 6.088 5.542 ( -6.521 9.012 -4.864) 12.141 5.542 ( -6.521 9.012 4.864) 12.141 5.590 ( -5.706 6.986 -4.673) 10.159 5.590 ( -5.706 6.986 4.673) 10.159 6.426 ( 3.556 -5.643 -1.373) 6.810 6.426 ( 3.556 -5.643 1.373) 6.810 7.289 ( 2.287 4.033 -4.150) 6.222 7.289 ( 2.287 4.033 4.150) 6.222 7.450 ( -2.057 -12.697 -5.526) 13.999 7.450 ( -2.057 -12.697 5.526) 13.999 7.982 ( 1.630 -14.000 -1.675) 14.194 7.982 ( 1.630 -14.000 1.675) 14.194 8.718 ( -0.366 10.457 -4.089) 11.234 8.718 ( -0.366 10.457 4.089) 11.234 9.390 ( 11.396 -4.155 -2.354) 12.356 9.390 ( 11.396 -4.155 2.354) 12.356 10.345 ( -4.026 5.012 -5.376) 8.381 10.345 ( -4.026 5.012 5.376) 8.381 10.806 ( 17.786 5.151 -15.206) 23.960 10.806 ( 17.786 5.151 15.206) 23.960 11.184 ( -0.694 4.206 -1.292) 4.454 11.184 ( -0.694 4.206 1.292) 4.454 11.794 ( -12.408 -1.688 -10.526) 16.359 11.794 ( -12.408 -1.688 10.526) 16.359 13.556 ( 16.457 -1.125 -4.742) 17.163 13.556 ( 16.457 -1.125 4.742) 17.163 14.278 ( -14.787 -2.008 -3.557) 15.341 14.278 ( -14.787 -2.008 3.557) 15.341 ======================= Grid point 341 (110/120) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -0.000 -0.747 -0.000) 0.747 1.333 ( 0.000 -0.747 0.000) 0.747 1.639 ( -0.000 -1.896 0.000) 1.896 1.639 ( 0.000 -1.896 0.000) 1.896 1.801 ( -0.000 1.086 -0.000) 1.086 1.801 ( 0.000 1.086 0.000) 1.086 2.456 ( 0.000 -5.640 -0.000) 5.640 2.456 ( 0.000 -5.640 0.000) 5.640 2.940 ( 0.000 11.103 0.000) 11.103 2.940 ( -0.000 11.103 0.000) 11.103 3.753 ( -0.000 3.210 -0.000) 3.210 3.753 ( 0.000 3.210 0.000) 3.210 3.780 ( -0.000 2.942 0.000) 2.942 3.780 ( 0.000 2.942 -0.000) 2.942 4.365 ( 0.000 -1.343 -0.000) 1.343 4.365 ( 0.000 -1.343 0.000) 1.343 5.112 ( 0.000 -7.155 -0.000) 7.155 5.112 ( -0.000 -7.155 0.000) 7.155 5.157 ( -0.000 -4.400 -0.000) 4.400 5.157 ( 0.000 -4.400 0.000) 4.400 5.474 ( -0.000 9.949 -0.000) 9.949 5.474 ( 0.000 9.949 0.000) 9.949 5.526 ( 0.000 7.307 -0.000) 7.307 5.526 ( 0.000 7.307 0.000) 7.307 6.468 ( -0.000 -6.298 -0.000) 6.298 6.468 ( 0.000 -6.298 0.000) 6.298 7.316 ( 0.000 4.573 -0.000) 4.573 7.316 ( -0.000 4.573 0.000) 4.573 7.425 ( -0.000 -14.308 -0.000) 14.308 7.425 ( 0.000 -14.308 0.000) 14.308 7.999 ( -0.000 -12.671 0.000) 12.671 7.999 ( 0.000 -12.671 0.000) 12.671 8.713 ( 0.000 10.319 0.000) 10.319 8.713 ( 0.000 10.319 0.000) 10.319 9.531 ( -0.000 -9.076 0.000) 9.076 9.531 ( 0.000 -9.076 0.000) 9.076 10.277 ( 0.000 12.358 0.000) 12.358 10.277 ( 0.000 12.358 0.000) 12.358 11.103 ( -0.000 5.078 -0.000) 5.078 11.103 ( 0.000 5.078 0.000) 5.078 11.121 ( -0.000 2.758 -0.000) 2.758 11.121 ( -0.000 2.758 0.000) 2.758 11.621 ( -0.000 -2.718 -0.000) 2.718 11.621 ( 0.000 -2.718 0.000) 2.718 13.849 ( -0.000 -1.268 0.000) 1.268 13.849 ( 0.000 -1.268 0.000) 1.268 14.003 ( 0.000 -1.992 -0.000) 1.992 14.003 ( 0.000 -1.992 0.000) 1.992 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 -0.354 -4.707) 4.721 1.551 ( 0.000 -0.354 4.707) 4.721 2.126 ( 0.000 1.067 -2.204) 2.449 2.126 ( 0.000 1.067 2.204) 2.449 2.155 ( 0.000 1.278 -4.676) 4.847 2.155 ( 0.000 1.278 4.676) 4.847 2.665 ( 0.000 -1.518 -10.634) 10.742 2.665 ( 0.000 -1.518 10.634) 10.742 2.964 ( 0.000 -0.314 -0.438) 0.539 2.964 ( 0.000 -0.314 0.438) 0.539 3.289 ( 0.000 18.957 -1.999) 19.062 3.289 ( 0.000 18.957 1.999) 19.062 4.027 ( 0.000 2.444 -3.674) 4.412 4.027 ( 0.000 2.444 3.674) 4.412 4.355 ( 0.000 -3.128 -5.665) 6.471 4.355 ( 0.000 -3.128 5.665) 6.471 4.818 ( 0.000 -10.866 -4.918) 11.927 4.818 ( 0.000 -10.866 4.918) 11.927 5.390 ( 0.000 -4.572 -6.086) 7.612 5.390 ( 0.000 -4.572 6.086) 7.612 5.895 ( 0.000 -0.552 -1.594) 1.687 5.895 ( 0.000 -0.552 1.594) 1.687 6.197 ( 0.000 6.547 -1.221) 6.660 6.197 ( 0.000 6.547 1.221) 6.660 6.457 ( 0.000 4.132 -7.246) 8.342 6.457 ( 0.000 4.132 7.246) 8.342 7.192 ( 0.000 -11.607 -5.343) 12.778 7.192 ( 0.000 -11.607 5.343) 12.778 7.349 ( 0.000 6.189 -7.658) 9.846 7.349 ( 0.000 6.189 7.658) 9.846 7.773 ( 0.000 -5.129 -5.492) 7.514 7.773 ( 0.000 -5.129 5.492) 7.514 8.676 ( 0.000 -2.248 -11.970) 12.180 8.676 ( 0.000 -2.248 11.970) 12.180 8.901 ( 0.000 -1.994 -4.047) 4.512 8.901 ( 0.000 -1.994 4.047) 4.512 9.688 ( 0.000 5.250 -12.523) 13.579 9.688 ( 0.000 5.250 12.523) 13.579 10.527 ( 0.000 -3.884 -0.200) 3.889 10.527 ( 0.000 -3.884 0.200) 3.889 11.489 ( 0.000 14.742 -6.740) 16.209 11.489 ( 0.000 14.742 6.740) 16.209 12.341 ( 0.000 -7.324 -10.527) 12.825 12.341 ( 0.000 -7.324 10.527) 12.825 12.819 ( 0.000 2.583 -3.465) 4.322 12.819 ( 0.000 2.583 3.465) 4.322 14.756 ( 0.000 -3.176 -1.220) 3.402 14.756 ( 0.000 -3.176 1.220) 3.402 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -3.678 -1.670 -4.693) 6.192 1.516 ( -3.678 -1.670 4.693) 6.192 1.973 ( -8.992 6.241 -5.981) 12.473 1.973 ( -8.992 6.241 5.981) 12.473 2.179 ( -1.911 -2.374 -3.947) 4.987 2.179 ( -1.911 -2.374 3.947) 4.987 2.523 ( -8.407 -3.514 -7.371) 11.720 2.523 ( -8.407 -3.514 7.371) 11.720 3.108 ( 7.533 3.942 -0.902) 8.549 3.108 ( 7.533 3.942 0.902) 8.549 3.355 ( 6.836 15.561 -4.214) 17.511 3.355 ( 6.836 15.561 4.214) 17.511 4.005 ( -1.952 2.430 -3.548) 4.723 4.005 ( -1.952 2.430 3.548) 4.723 4.354 ( -0.209 -3.496 -4.961) 6.072 4.354 ( -0.209 -3.496 4.961) 6.072 4.836 ( 1.666 -10.172 -4.640) 11.303 4.836 ( 1.666 -10.172 4.640) 11.303 5.362 ( -2.711 -3.806 -5.164) 6.964 5.362 ( -2.711 -3.806 5.164) 6.964 5.875 ( -1.961 -0.152 -1.041) 2.225 5.875 ( -1.961 -0.152 1.041) 2.225 6.140 ( -5.649 7.654 -2.586) 9.857 6.140 ( -5.649 7.654 2.586) 9.857 6.373 ( -6.163 3.787 -8.260) 10.980 6.373 ( -6.163 3.787 8.260) 10.980 7.192 ( 0.331 -10.095 -5.624) 11.561 7.192 ( 0.331 -10.095 5.624) 11.561 7.366 ( -0.114 1.830 -12.135) 12.272 7.366 ( -0.114 1.830 12.135) 12.272 7.702 ( -3.647 -7.343 -7.123) 10.861 7.702 ( -3.647 -7.343 7.123) 10.861 8.765 ( 6.193 1.949 -14.080) 15.505 8.765 ( 6.193 1.949 14.080) 15.505 8.950 ( 4.818 -2.682 -2.138) 5.914 8.950 ( 4.818 -2.682 2.138) 5.914 9.862 ( 15.092 3.998 -13.524) 20.656 9.862 ( 15.092 3.998 13.524) 20.656 10.552 ( 2.503 -2.342 -1.086) 3.596 10.552 ( 2.503 -2.342 1.086) 3.596 11.461 ( -2.617 13.842 -6.093) 15.349 11.461 ( -2.617 13.842 6.093) 15.349 12.228 ( -8.977 -5.792 -10.452) 14.945 12.228 ( -8.977 -5.792 10.452) 14.945 12.946 ( 10.291 1.052 -3.366) 10.878 12.946 ( 10.291 1.052 3.366) 10.878 14.690 ( -6.075 -3.084 -1.241) 6.926 14.690 ( -6.075 -3.084 1.241) 6.926 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -6.835 -2.293 -5.915) 9.325 1.394 ( -6.835 -2.293 5.915) 9.325 1.818 ( -5.296 6.945 -5.926) 10.555 1.818 ( -5.296 6.945 5.926) 10.555 2.065 ( -8.290 -2.923 -8.904) 12.512 2.065 ( -8.290 -2.923 8.904) 12.512 2.384 ( -4.516 -6.016 -4.722) 8.882 2.384 ( -4.516 -6.016 4.722) 8.882 3.205 ( 2.449 12.623 -1.223) 12.916 3.205 ( 2.449 12.623 1.223) 12.916 3.552 ( 9.889 7.571 -5.109) 13.462 3.552 ( 9.889 7.571 5.109) 13.462 3.952 ( -2.784 2.461 -3.159) 4.877 3.952 ( -2.784 2.461 3.159) 4.877 4.342 ( -1.004 -4.528 -2.929) 5.486 4.342 ( -1.004 -4.528 2.929) 5.486 4.885 ( 2.719 -8.092 -3.845) 9.363 4.885 ( 2.719 -8.092 3.845) 9.363 5.276 ( -5.149 -2.709 -3.271) 6.674 5.276 ( -5.149 -2.709 3.271) 6.674 5.809 ( -4.150 3.052 -3.998) 6.521 5.809 ( -4.150 3.052 3.998) 6.521 5.958 ( -10.159 10.242 -4.784) 15.199 5.958 ( -10.159 10.242 4.784) 15.199 6.287 ( -1.216 -0.623 -4.858) 5.047 6.287 ( -1.216 -0.623 4.858) 5.047 7.166 ( -3.881 -17.599 -4.051) 18.472 7.166 ( -3.881 -17.599 4.051) 18.472 7.351 ( 0.861 3.733 -9.765) 10.490 7.351 ( 0.861 3.733 9.765) 10.490 7.703 ( 2.925 -7.653 -4.681) 9.436 7.703 ( 2.925 -7.653 4.681) 9.436 8.853 ( 1.952 3.983 -8.537) 9.620 8.853 ( 1.952 3.983 8.537) 9.620 9.106 ( 8.618 -3.196 -3.822) 9.954 9.106 ( 8.618 -3.196 3.822) 9.954 10.241 ( 18.025 3.175 -10.125) 20.916 10.241 ( 18.025 3.175 10.125) 20.916 10.648 ( 7.311 2.428 -5.765) 9.622 10.648 ( 7.311 2.428 5.765) 9.622 11.385 ( -4.271 10.969 -4.275) 12.524 11.385 ( -4.271 10.969 4.275) 12.524 12.004 ( -11.771 -4.480 -10.584) 16.451 12.004 ( -11.771 -4.480 10.584) 16.451 13.209 ( 14.064 -0.309 -3.151) 14.416 13.209 ( 14.064 -0.309 3.151) 14.416 14.505 ( -11.186 -2.877 -1.717) 11.677 14.505 ( -11.186 -2.877 1.717) 11.677 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -0.736 -0.888 -6.837) 6.933 1.300 ( -0.736 -0.888 6.837) 6.933 1.701 ( -7.271 0.578 -1.841) 7.523 1.701 ( -7.271 0.578 1.841) 7.523 1.895 ( -5.562 0.806 -6.373) 8.497 1.895 ( -5.562 0.806 6.373) 8.497 2.321 ( -1.746 -8.024 -2.888) 8.704 2.321 ( -1.746 -8.024 2.888) 8.704 3.237 ( 0.809 16.630 -0.726) 16.665 3.237 ( 0.809 16.630 0.726) 16.665 3.730 ( 6.582 4.330 -3.885) 8.785 3.730 ( 6.582 4.330 3.885) 8.785 3.897 ( -2.353 2.856 -2.800) 4.640 3.897 ( -2.353 2.856 2.800) 4.640 4.313 ( -1.470 -5.762 -0.986) 6.028 4.313 ( -1.470 -5.762 0.986) 6.028 4.946 ( 2.954 -5.430 -3.213) 6.967 4.946 ( 2.954 -5.430 3.213) 6.967 5.159 ( -5.469 -2.616 -2.697) 6.635 5.159 ( -5.469 -2.616 2.697) 6.635 5.717 ( -3.732 6.909 -4.077) 8.847 5.717 ( -3.732 6.909 4.077) 8.847 5.775 ( -6.287 11.380 -1.211) 13.058 5.775 ( -6.287 11.380 1.211) 13.058 6.300 ( 1.548 -5.499 -2.089) 6.083 6.300 ( 1.548 -5.499 2.089) 6.083 7.071 ( -3.881 -21.778 -2.498) 22.262 7.071 ( -3.881 -21.778 2.498) 22.262 7.397 ( 2.437 5.525 -4.691) 7.646 7.397 ( 2.437 5.525 4.691) 7.646 7.772 ( 2.810 -7.570 -2.302) 8.396 7.772 ( 2.810 -7.570 2.302) 8.396 8.872 ( 0.251 5.285 -3.689) 6.450 8.872 ( 0.251 5.285 3.689) 6.450 9.261 ( 5.322 -7.774 -3.345) 9.997 9.261 ( 5.322 -7.774 3.345) 9.997 10.519 ( 7.507 10.723 -2.524) 13.331 10.519 ( 7.507 10.723 2.524) 13.331 10.903 ( 15.893 3.725 -13.778) 21.360 10.903 ( 15.893 3.725 13.778) 21.360 11.293 ( -4.107 6.208 -1.892) 7.680 11.293 ( -4.107 6.208 1.892) 7.680 11.738 ( -12.951 -3.962 -10.140) 16.919 11.738 ( -12.951 -3.962 10.140) 16.919 13.530 ( 15.925 -1.149 -3.368) 16.318 13.530 ( 15.925 -1.149 3.368) 16.318 14.228 ( -14.600 -2.672 -2.562) 15.062 14.228 ( -14.600 -2.672 2.562) 15.062 ======================= Grid point 359 (115/120) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -0.000 0.754 -0.000) 0.754 1.328 ( 0.000 0.754 0.000) 0.754 1.574 ( -0.000 -4.336 0.000) 4.336 1.574 ( 0.000 -4.336 0.000) 4.336 1.845 ( -0.000 3.424 0.000) 3.424 1.845 ( 0.000 3.424 0.000) 3.424 2.303 ( 0.000 -8.910 -0.000) 8.910 2.303 ( 0.000 -8.910 0.000) 8.910 3.245 ( 0.000 17.946 0.000) 17.946 3.245 ( 0.000 17.946 0.000) 17.946 3.820 ( -0.000 2.620 -0.000) 2.620 3.820 ( 0.000 2.620 0.000) 2.620 3.855 ( -0.000 4.058 0.000) 4.058 3.855 ( 0.000 4.058 0.000) 4.058 4.294 ( 0.000 -6.420 -0.000) 6.420 4.294 ( -0.000 -6.420 0.000) 6.420 4.993 ( 0.000 -3.649 -0.000) 3.649 4.993 ( 0.000 -3.649 0.000) 3.649 5.081 ( -0.000 -3.240 0.000) 3.240 5.081 ( -0.000 -3.240 0.000) 3.240 5.678 ( -0.000 7.434 -0.000) 7.434 5.678 ( 0.000 7.434 0.000) 7.434 5.704 ( 0.000 12.174 -0.000) 12.174 5.704 ( 0.000 12.174 0.000) 12.174 6.321 ( -0.000 -7.100 0.000) 7.100 6.321 ( 0.000 -7.100 0.000) 7.100 7.027 ( 0.000 -22.729 -0.000) 22.729 7.027 ( -0.000 -22.729 0.000) 22.729 7.426 ( 0.000 5.877 -0.000) 5.877 7.426 ( 0.000 5.877 0.000) 5.877 7.804 ( 0.000 -7.391 0.000) 7.391 7.804 ( 0.000 -7.391 0.000) 7.391 8.873 ( 0.000 5.967 -0.000) 5.967 8.873 ( 0.000 5.967 0.000) 5.967 9.318 ( 0.000 -10.790 0.000) 10.790 9.318 ( 0.000 -10.790 0.000) 10.790 10.594 ( 0.000 17.424 0.000) 17.424 10.594 ( 0.000 17.424 0.000) 17.424 11.188 ( -0.000 2.050 -0.000) 2.050 11.188 ( 0.000 2.050 0.000) 2.050 11.199 ( 0.000 4.785 -0.000) 4.785 11.199 ( -0.000 4.785 0.000) 4.785 11.541 ( -0.000 -5.007 -0.000) 5.007 11.541 ( 0.000 -5.007 0.000) 5.007 13.824 ( -0.000 -0.756 0.000) 0.756 13.824 ( 0.000 -0.756 0.000) 0.756 13.948 ( -0.000 -3.301 0.000) 3.301 13.948 ( 0.000 -3.301 0.000) 3.301 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 -0.364 -1.564) 1.605 1.542 ( 0.000 -0.364 1.564) 1.605 2.124 ( 0.000 -0.060 -0.625) 0.628 2.124 ( 0.000 -0.060 0.625) 0.628 2.202 ( 0.000 1.593 -3.199) 3.574 2.202 ( 0.000 1.593 3.199) 3.574 2.618 ( 0.000 -1.818 -4.371) 4.734 2.618 ( 0.000 -1.818 4.371) 4.734 2.960 ( 0.000 -0.063 -0.573) 0.576 2.960 ( 0.000 -0.063 0.573) 0.576 3.690 ( 0.000 18.609 -2.340) 18.755 3.690 ( 0.000 18.609 2.340) 18.755 3.993 ( 0.000 -7.939 -3.377) 8.627 3.993 ( 0.000 -7.939 3.377) 8.627 4.294 ( 0.000 -1.855 -2.399) 3.032 4.294 ( 0.000 -1.855 2.399) 3.032 4.650 ( 0.000 -4.509 -2.236) 5.033 4.650 ( 0.000 -4.509 2.236) 5.033 5.304 ( 0.000 -2.904 -2.917) 4.116 5.304 ( 0.000 -2.904 2.917) 4.116 5.879 ( 0.000 -0.604 -0.738) 0.954 5.879 ( 0.000 -0.604 0.738) 0.954 6.276 ( 0.000 1.623 -0.715) 1.774 6.276 ( 0.000 1.623 0.715) 1.774 6.592 ( 0.000 6.710 -4.337) 7.990 6.592 ( 0.000 6.710 4.337) 7.990 6.977 ( 0.000 -7.873 -3.826) 8.753 6.977 ( 0.000 -7.873 3.826) 8.753 7.482 ( 0.000 5.440 -6.990) 8.858 7.482 ( 0.000 5.440 6.990) 8.858 7.674 ( 0.000 -4.173 -5.463) 6.874 7.674 ( 0.000 -4.173 5.463) 6.874 8.603 ( 0.000 -3.042 -4.268) 5.241 8.603 ( 0.000 -3.042 4.268) 5.241 8.883 ( 0.000 -0.092 -1.569) 1.571 8.883 ( 0.000 -0.092 1.569) 1.571 9.775 ( 0.000 2.510 -3.872) 4.614 9.775 ( 0.000 2.510 3.872) 4.614 10.474 ( 0.000 -1.301 -0.368) 1.352 10.474 ( 0.000 -1.301 0.368) 1.352 11.764 ( 0.000 10.714 -7.163) 12.888 11.764 ( 0.000 10.714 7.163) 12.888 12.167 ( 0.000 -8.192 -8.056) 11.489 12.167 ( 0.000 -8.192 8.056) 11.489 12.865 ( 0.000 1.412 -1.152) 1.822 12.865 ( 0.000 1.412 1.152) 1.822 14.705 ( 0.000 -1.442 -0.384) 1.493 14.705 ( 0.000 -1.442 0.384) 1.493 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -4.794 -0.726 -1.689) 5.135 1.490 ( -4.794 -0.726 1.689) 5.135 2.089 ( -3.804 3.928 -1.652) 5.712 2.089 ( -3.804 3.928 1.652) 5.712 2.145 ( -4.688 -0.611 -1.503) 4.960 2.145 ( -4.688 -0.611 1.503) 4.960 2.430 ( -11.456 -4.029 -3.711) 12.698 2.430 ( -11.456 -4.029 3.711) 12.698 3.156 ( 12.389 1.105 -0.933) 12.473 3.156 ( 12.389 1.105 0.933) 12.473 3.714 ( 2.133 17.293 -3.389) 17.751 3.714 ( 2.133 17.293 3.389) 17.751 3.992 ( -0.133 -5.930 -4.239) 7.291 3.992 ( -0.133 -5.930 4.239) 7.291 4.260 ( -2.908 -4.076 -2.288) 5.505 4.260 ( -2.908 -4.076 2.288) 5.505 4.689 ( 3.444 -3.562 -1.880) 5.299 4.689 ( 3.444 -3.562 1.880) 5.299 5.289 ( -1.622 -2.505 -2.600) 3.958 5.289 ( -1.622 -2.505 2.600) 3.958 5.860 ( -1.353 -0.651 -0.355) 1.543 5.860 ( -1.353 -0.651 0.355) 1.543 6.229 ( -4.591 1.681 -0.903) 4.972 6.229 ( -4.591 1.681 0.903) 4.972 6.529 ( -5.120 8.776 -5.479) 11.544 6.529 ( -5.120 8.776 5.479) 11.544 6.947 ( -3.996 -10.342 -4.517) 11.972 6.947 ( -3.996 -10.342 4.517) 11.972 7.462 ( -2.759 5.449 -10.204) 11.892 7.462 ( -2.759 5.449 10.204) 11.892 7.573 ( -3.548 -5.655 -8.720) 10.982 7.573 ( -3.548 -5.655 8.720) 10.982 8.775 ( 11.812 -0.437 -7.364) 13.926 8.775 ( 11.812 -0.437 7.364) 13.926 8.900 ( 1.959 -1.372 -3.248) 4.034 8.900 ( 1.959 -1.372 3.248) 4.034 9.935 ( 14.083 2.301 -4.406) 14.934 9.935 ( 14.083 2.301 4.406) 14.934 10.521 ( 4.593 -0.776 -0.045) 4.659 10.521 ( 4.593 -0.776 0.045) 4.659 11.723 ( -3.823 10.509 -7.037) 13.213 11.723 ( -3.823 10.509 7.037) 13.213 12.078 ( -7.543 -7.663 -8.117) 13.472 12.078 ( -7.543 -7.663 8.117) 13.472 12.968 ( 8.897 0.792 -1.192) 9.011 12.968 ( 8.897 0.792 1.192) 9.011 14.641 ( -5.958 -1.407 -0.415) 6.136 14.641 ( -5.958 -1.407 0.415) 6.136 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -6.152 -0.799 -2.234) 6.593 1.362 ( -6.152 -0.799 2.234) 6.593 1.939 ( -9.992 2.975 -3.337) 10.946 1.939 ( -9.992 2.975 3.337) 10.946 2.046 ( -4.353 2.876 -4.319) 6.773 2.046 ( -4.353 2.876 4.319) 6.773 2.234 ( -6.544 -7.546 -1.891) 10.166 2.234 ( -6.544 -7.546 1.891) 10.166 3.392 ( 9.359 4.366 -0.962) 10.372 3.392 ( 9.359 4.366 0.962) 10.372 3.770 ( 2.794 12.671 -4.465) 13.722 3.770 ( 2.794 12.671 4.465) 13.722 3.981 ( -0.999 -0.608 -4.782) 4.923 3.981 ( -0.999 -0.608 4.782) 4.923 4.188 ( -3.435 -8.906 -1.443) 9.654 4.188 ( -3.435 -8.906 1.443) 9.654 4.782 ( 4.992 -2.009 -1.269) 5.529 4.782 ( 4.992 -2.009 1.269) 5.529 5.226 ( -4.339 -1.717 -1.705) 4.968 5.226 ( -4.339 -1.717 1.705) 4.968 5.839 ( -0.427 0.340 -1.477) 1.574 5.839 ( -0.427 0.340 1.477) 1.574 6.089 ( -7.743 2.172 -2.719) 8.489 6.089 ( -7.743 2.172 2.719) 8.489 6.409 ( -5.738 11.982 -5.184) 14.261 6.409 ( -5.738 11.982 5.184) 14.261 6.790 ( -9.089 -17.174 -4.889) 20.036 6.790 ( -9.089 -17.174 4.889) 20.036 7.442 ( 2.156 4.067 -6.450) 7.924 7.442 ( 2.156 4.067 6.450) 7.924 7.582 ( 2.483 -4.415 -5.344) 7.363 7.582 ( 2.483 -4.415 5.344) 7.363 8.914 ( 2.444 2.308 -5.418) 6.376 8.914 ( 2.444 2.308 5.418) 6.376 9.026 ( 7.261 -3.548 -3.538) 8.822 9.026 ( 7.261 -3.548 3.538) 8.822 10.309 ( 19.559 2.345 -3.254) 19.966 10.309 ( 19.559 2.345 3.254) 19.966 10.678 ( 10.289 0.668 -2.122) 10.526 10.678 ( 10.289 0.668 2.122) 10.526 11.605 ( -7.158 9.462 -6.444) 13.502 11.605 ( -7.158 9.462 6.444) 13.502 11.880 ( -10.694 -6.869 -8.208) 15.130 11.880 ( -10.694 -6.869 8.208) 15.130 13.208 ( 13.189 0.066 -1.153) 13.240 13.208 ( 13.189 0.066 1.153) 13.240 14.459 ( -11.034 -1.330 -0.625) 11.131 14.459 ( -11.034 -1.330 0.625) 11.131 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 0.790 -0.036 -2.785) 2.895 1.292 ( 0.790 -0.036 2.785) 2.895 1.688 ( -12.875 -1.031 -1.401) 12.992 1.688 ( -12.875 -1.031 1.401) 12.992 1.973 ( -2.344 6.572 -1.750) 7.194 1.973 ( -2.344 6.572 1.750) 7.194 2.142 ( -2.605 -9.035 -1.210) 9.481 2.142 ( -2.605 -9.035 1.210) 9.481 3.551 ( 5.619 10.899 -1.155) 12.316 3.551 ( 5.619 10.899 1.155) 12.316 3.817 ( 1.382 4.472 -3.891) 6.087 3.817 ( 1.382 4.472 3.891) 6.087 3.953 ( -1.337 3.354 -3.652) 5.135 3.953 ( -1.337 3.354 3.652) 5.135 4.127 ( -2.238 -11.567 -1.303) 11.853 4.127 ( -2.238 -11.567 1.303) 11.853 4.889 ( 4.908 -0.723 -1.079) 5.077 4.889 ( 4.908 -0.723 1.079) 5.077 5.116 ( -5.556 -1.319 -1.074) 5.811 5.116 ( -5.556 -1.319 1.074) 5.811 5.833 ( -0.516 4.116 -2.923) 5.074 5.833 ( -0.516 4.116 2.923) 5.074 5.946 ( -4.963 2.627 -3.202) 6.464 5.946 ( -4.963 2.627 3.202) 6.464 6.306 ( -3.396 9.342 -3.456) 10.523 6.306 ( -3.396 9.342 3.456) 10.523 6.633 ( -5.174 -20.220 -2.734) 21.049 6.633 ( -5.174 -20.220 2.734) 21.049 7.510 ( 3.134 5.309 -3.947) 7.321 7.510 ( 3.134 5.309 3.947) 7.321 7.641 ( 2.473 -5.613 -3.405) 7.015 7.641 ( 2.473 -5.613 3.405) 7.015 8.960 ( 1.947 3.579 -2.748) 4.915 8.960 ( 1.947 3.579 2.748) 4.915 9.115 ( 1.469 -5.639 -2.620) 6.389 9.115 ( 1.469 -5.639 2.620) 6.389 10.706 ( 16.693 6.049 -1.464) 17.816 10.706 ( 16.693 6.049 1.464) 17.816 10.941 ( 13.636 0.222 -7.153) 15.400 10.941 ( 13.636 0.222 7.153) 15.400 11.429 ( -8.946 6.568 -4.979) 12.164 11.429 ( -8.946 6.568 4.979) 12.164 11.634 ( -12.343 -5.677 -7.704) 15.618 11.634 ( -12.343 -5.677 7.704) 15.618 13.515 ( 15.475 -0.376 -1.239) 15.529 13.515 ( 15.475 -0.376 1.239) 15.529 14.184 ( -14.539 -1.271 -0.956) 14.626 14.184 ( -14.539 -1.271 0.956) 14.626 ======================= Grid point 377 (120/120) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -0.000 3.792 0.000) 3.792 1.374 ( 0.000 3.792 0.000) 3.792 1.472 ( -0.000 -5.404 0.000) 5.404 1.472 ( 0.000 -5.404 0.000) 5.404 1.948 ( 0.000 6.829 0.000) 6.829 1.948 ( 0.000 6.829 0.000) 6.829 2.114 ( 0.000 -9.222 -0.000) 9.222 2.114 ( 0.000 -9.222 -0.000) 9.222 3.616 ( -0.000 16.905 0.000) 16.905 3.616 ( 0.000 16.905 0.000) 16.905 3.828 ( 0.000 -3.126 -0.000) 3.126 3.828 ( -0.000 -3.126 0.000) 3.126 3.938 ( -0.000 4.646 0.000) 4.646 3.938 ( 0.000 4.646 0.000) 4.646 4.101 ( 0.000 -11.307 -0.000) 11.307 4.101 ( 0.000 -11.307 0.000) 11.307 4.975 ( -0.000 1.339 -0.000) 1.339 4.975 ( 0.000 1.339 -0.000) 1.339 5.021 ( -0.000 -2.748 0.000) 2.748 5.021 ( 0.000 -2.748 0.000) 2.748 5.823 ( 0.000 6.587 -0.000) 6.587 5.823 ( 0.000 6.587 0.000) 6.587 5.893 ( 0.000 2.755 0.000) 2.755 5.893 ( 0.000 2.755 0.000) 2.755 6.273 ( 0.000 6.351 0.000) 6.351 6.273 ( 0.000 6.351 0.000) 6.351 6.577 ( 0.000 -20.405 0.000) 20.405 6.577 ( 0.000 -20.405 0.000) 20.405 7.547 ( 0.000 5.966 -0.000) 5.966 7.547 ( 0.000 5.966 0.000) 5.966 7.669 ( -0.000 -6.202 0.000) 6.202 7.669 ( 0.000 -6.202 0.000) 6.202 8.984 ( 0.000 5.645 -0.000) 5.645 8.984 ( -0.000 5.645 0.000) 5.645 9.122 ( 0.000 -8.231 0.000) 8.231 9.122 ( 0.000 -8.231 0.000) 8.231 10.929 ( -0.000 14.555 0.000) 14.555 10.929 ( 0.000 14.555 0.000) 14.555 11.148 ( 0.000 -6.450 0.000) 6.450 11.148 ( 0.000 -6.450 0.000) 6.450 11.307 ( 0.000 5.731 -0.000) 5.731 11.307 ( 0.000 5.731 0.000) 5.731 11.427 ( 0.000 -5.969 -0.000) 5.969 11.427 ( 0.000 -5.969 0.000) 5.969 13.830 ( -0.000 1.412 0.000) 1.412 13.830 ( 0.000 1.412 0.000) 1.412 13.879 ( -0.000 -3.197 0.000) 3.197 13.879 ( 0.000 -3.197 0.000) 3.197 =================== 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 3/26880 10.0 503.211 353.380 294.009 0.000 0.000 -0.000 3/26880 20.0 114.424 53.587 69.451 0.000 0.000 -0.000 3/26880 30.0 54.567 23.182 32.912 0.000 0.000 -0.000 3/26880 40.0 32.891 14.297 19.954 0.000 0.000 -0.000 3/26880 50.0 22.437 10.308 13.749 0.000 0.000 -0.000 3/26880 60.0 16.588 8.055 10.264 0.000 0.000 -0.000 3/26880 70.0 12.978 6.606 8.098 0.000 0.000 -0.000 3/26880 80.0 10.586 5.597 6.651 0.000 0.000 -0.000 3/26880 90.0 8.912 4.856 5.629 0.000 0.000 -0.000 3/26880 100.0 7.688 4.290 4.877 0.000 0.000 -0.000 3/26880 110.0 6.761 3.845 4.302 0.000 0.000 -0.000 3/26880 120.0 6.038 3.486 3.851 0.000 0.000 -0.000 3/26880 130.0 5.459 3.189 3.487 0.000 0.000 -0.000 3/26880 140.0 4.986 2.941 3.188 0.000 0.000 -0.000 3/26880 150.0 4.593 2.730 2.939 0.000 0.000 -0.000 3/26880 160.0 4.261 2.548 2.727 0.000 0.000 -0.000 3/26880 170.0 3.976 2.390 2.544 0.000 0.000 -0.000 3/26880 180.0 3.729 2.250 2.386 0.000 0.000 -0.000 3/26880 190.0 3.512 2.127 2.247 0.000 0.000 -0.000 3/26880 200.0 3.321 2.017 2.123 0.000 0.000 -0.000 3/26880 210.0 3.151 1.917 2.014 0.000 0.000 -0.000 3/26880 220.0 2.998 1.828 1.915 0.000 0.000 -0.000 3/26880 230.0 2.860 1.746 1.826 0.000 0.000 -0.000 3/26880 240.0 2.734 1.672 1.745 0.000 0.000 -0.000 3/26880 250.0 2.620 1.604 1.671 0.000 0.000 -0.000 3/26880 260.0 2.515 1.541 1.603 0.000 0.000 -0.000 3/26880 270.0 2.418 1.483 1.541 0.000 0.000 -0.000 3/26880 280.0 2.329 1.430 1.483 0.000 0.000 -0.000 3/26880 290.0 2.247 1.380 1.430 0.000 0.000 -0.000 3/26880 300.0 2.170 1.333 1.380 0.000 0.000 -0.000 3/26880 310.0 2.098 1.290 1.334 0.000 0.000 -0.000 3/26880 320.0 2.031 1.249 1.291 0.000 0.000 -0.000 3/26880 330.0 1.969 1.211 1.251 0.000 0.000 -0.000 3/26880 340.0 1.910 1.175 1.213 0.000 0.000 -0.000 3/26880 350.0 1.854 1.141 1.177 0.000 0.000 -0.000 3/26880 360.0 1.802 1.109 1.144 0.000 0.000 -0.000 3/26880 370.0 1.753 1.079 1.112 0.000 0.000 -0.000 3/26880 380.0 1.706 1.051 1.082 0.000 0.000 -0.000 3/26880 390.0 1.662 1.024 1.054 0.000 0.000 -0.000 3/26880 400.0 1.620 0.998 1.027 0.000 0.000 -0.000 3/26880 410.0 1.580 0.973 1.001 0.000 0.000 -0.000 3/26880 420.0 1.542 0.950 0.977 0.000 0.000 -0.000 3/26880 430.0 1.506 0.928 0.954 0.000 0.000 -0.000 3/26880 440.0 1.471 0.907 0.932 0.000 0.000 -0.000 3/26880 450.0 1.439 0.887 0.911 0.000 0.000 -0.000 3/26880 460.0 1.407 0.867 0.891 0.000 0.000 -0.000 3/26880 470.0 1.377 0.849 0.871 0.000 0.000 -0.000 3/26880 480.0 1.348 0.831 0.853 0.000 0.000 -0.000 3/26880 490.0 1.320 0.814 0.835 0.000 0.000 -0.000 3/26880 500.0 1.294 0.798 0.819 0.000 0.000 -0.000 3/26880 510.0 1.268 0.782 0.802 0.000 0.000 -0.000 3/26880 520.0 1.244 0.767 0.787 0.000 0.000 -0.000 3/26880 530.0 1.220 0.753 0.772 0.000 0.000 -0.000 3/26880 540.0 1.198 0.739 0.757 0.000 0.000 -0.000 3/26880 550.0 1.176 0.725 0.743 0.000 0.000 -0.000 3/26880 560.0 1.155 0.712 0.730 0.000 0.000 -0.000 3/26880 570.0 1.135 0.700 0.717 0.000 0.000 -0.000 3/26880 580.0 1.115 0.688 0.705 0.000 0.000 -0.000 3/26880 590.0 1.096 0.676 0.692 0.000 0.000 -0.000 3/26880 600.0 1.078 0.665 0.681 0.000 0.000 -0.000 3/26880 610.0 1.060 0.654 0.670 0.000 0.000 -0.000 3/26880 620.0 1.043 0.643 0.659 0.000 0.000 -0.000 3/26880 630.0 1.026 0.633 0.648 0.000 0.000 -0.000 3/26880 640.0 1.010 0.623 0.638 0.000 0.000 -0.000 3/26880 650.0 0.995 0.614 0.628 0.000 0.000 -0.000 3/26880 660.0 0.979 0.604 0.618 0.000 0.000 -0.000 3/26880 670.0 0.965 0.595 0.609 0.000 0.000 -0.000 3/26880 680.0 0.951 0.586 0.600 0.000 0.000 -0.000 3/26880 690.0 0.937 0.578 0.591 0.000 0.000 -0.000 3/26880 700.0 0.923 0.570 0.583 0.000 0.000 -0.000 3/26880 710.0 0.910 0.562 0.575 0.000 0.000 -0.000 3/26880 720.0 0.898 0.554 0.567 0.000 0.000 -0.000 3/26880 730.0 0.885 0.546 0.559 0.000 0.000 -0.000 3/26880 740.0 0.873 0.539 0.551 0.000 0.000 -0.000 3/26880 750.0 0.862 0.532 0.544 0.000 0.000 -0.000 3/26880 760.0 0.850 0.525 0.537 0.000 0.000 -0.000 3/26880 770.0 0.839 0.518 0.530 0.000 0.000 -0.000 3/26880 780.0 0.829 0.511 0.523 0.000 0.000 -0.000 3/26880 790.0 0.818 0.505 0.516 0.000 0.000 -0.000 3/26880 800.0 0.808 0.498 0.510 0.000 0.000 -0.000 3/26880 810.0 0.798 0.492 0.503 0.000 0.000 -0.000 3/26880 820.0 0.788 0.486 0.497 0.000 0.000 -0.000 3/26880 830.0 0.779 0.480 0.491 0.000 0.000 -0.000 3/26880 840.0 0.769 0.475 0.485 0.000 0.000 -0.000 3/26880 850.0 0.760 0.469 0.480 0.000 0.000 -0.000 3/26880 860.0 0.751 0.464 0.474 0.000 0.000 -0.000 3/26880 870.0 0.743 0.458 0.469 0.000 0.000 -0.000 3/26880 880.0 0.734 0.453 0.463 0.000 0.000 -0.000 3/26880 890.0 0.726 0.448 0.458 0.000 0.000 -0.000 3/26880 900.0 0.718 0.443 0.453 0.000 0.000 -0.000 3/26880 910.0 0.710 0.438 0.448 0.000 0.000 -0.000 3/26880 920.0 0.702 0.433 0.443 0.000 0.000 -0.000 3/26880 930.0 0.695 0.429 0.438 0.000 0.000 -0.000 3/26880 940.0 0.687 0.424 0.434 0.000 0.000 -0.000 3/26880 950.0 0.680 0.420 0.429 0.000 0.000 -0.000 3/26880 960.0 0.673 0.415 0.424 0.000 0.000 -0.000 3/26880 970.0 0.666 0.411 0.420 0.000 0.000 -0.000 3/26880 980.0 0.659 0.407 0.416 0.000 0.000 -0.000 3/26880 990.0 0.653 0.403 0.412 0.000 0.000 -0.000 3/26880 1000.0 0.646 0.399 0.407 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m8710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:15:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|