----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:56:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.072598140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.951544930000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.369865379999998 Atomic positions (fractional): *1 O 0.84381612188223 0.25000000000000 0.61251430044606 15.999 2 O 0.34381612188223 0.25000000000000 0.88748569955394 15.999 3 O 0.65618387811777 0.75000000000000 0.11251430044606 15.999 4 O 0.15618387811777 0.75000000000000 0.38748569955394 15.999 *5 O 0.99269341557894 0.87999169575715 0.77290704347137 15.999 6 O 0.49269341557894 0.62000830424285 0.72709295652863 15.999 7 O 0.50730658442106 0.12000830424285 0.27290704347137 15.999 8 O 0.00730658442106 0.37999169575715 0.22709295652863 15.999 9 O 0.00730658442106 0.12000830424285 0.22709295652863 15.999 10 O 0.99269341557894 0.62000830424285 0.77290704347137 15.999 11 O 0.49269341557894 0.87999169575715 0.72709295652863 15.999 12 O 0.50730658442106 0.37999169575715 0.27290704347137 15.999 *13 Rb 0.26630901980949 0.91313014567708 0.10766714554386 85.468 14 Rb 0.26630901980949 0.58686985432292 0.10766714554386 85.468 15 Rb 0.73369098019051 0.08686985432292 0.89233285445614 85.468 16 Rb 0.23369098019051 0.41313014567708 0.60766714554386 85.468 17 Rb 0.23369098019051 0.08686985432292 0.60766714554386 85.468 18 Rb 0.73369098019051 0.41313014567708 0.89233285445614 85.468 19 Rb 0.76630901980949 0.58686985432292 0.39233285445614 85.468 20 Rb 0.76630901980949 0.91313014567708 0.39233285445614 85.468 *21 Pb 0.26720146084689 0.25000000000000 0.15690963993656 207.200 22 Pb 0.76720146084689 0.25000000000000 0.34309036006344 207.200 23 Pb 0.23279853915311 0.75000000000000 0.65690963993656 207.200 24 Pb 0.73279853915311 0.75000000000000 0.84309036006344 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.072598140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.951544930000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.369865379999998 Atomic positions (fractional): *1 O 0.84381612188223 0.25000000000000 0.61251430044606 15.999 > 1 2 O 0.34381612188223 0.25000000000000 0.88748569955394 15.999 > 2 3 O 0.65618387811777 0.75000000000000 0.11251430044606 15.999 > 3 4 O 0.15618387811777 0.75000000000000 0.38748569955394 15.999 > 4 *5 O 0.99269341557894 0.87999169575715 0.77290704347137 15.999 > 5 6 O 0.49269341557894 0.62000830424285 0.72709295652863 15.999 > 6 7 O 0.50730658442106 0.12000830424285 0.27290704347137 15.999 > 7 8 O 0.00730658442106 0.37999169575715 0.22709295652863 15.999 > 8 9 O 0.00730658442106 0.12000830424285 0.22709295652863 15.999 > 9 10 O 0.99269341557894 0.62000830424285 0.77290704347137 15.999 > 10 11 O 0.49269341557894 0.87999169575715 0.72709295652863 15.999 > 11 12 O 0.50730658442106 0.37999169575715 0.27290704347137 15.999 > 12 *13 Rb 0.26630901980949 0.91313014567708 0.10766714554386 85.468 > 13 14 Rb 0.26630901980949 0.58686985432292 0.10766714554386 85.468 > 14 15 Rb 0.73369098019051 0.08686985432292 0.89233285445614 85.468 > 15 16 Rb 0.23369098019051 0.41313014567708 0.60766714554386 85.468 > 16 17 Rb 0.23369098019051 0.08686985432292 0.60766714554386 85.468 > 17 18 Rb 0.73369098019051 0.41313014567708 0.89233285445614 85.468 > 18 19 Rb 0.76630901980949 0.58686985432292 0.39233285445614 85.468 > 19 20 Rb 0.76630901980949 0.91313014567708 0.39233285445614 85.468 > 20 *21 Pb 0.26720146084689 0.25000000000000 0.15690963993656 207.200 > 21 22 Pb 0.76720146084689 0.25000000000000 0.34309036006344 207.200 > 22 23 Pb 0.23279853915311 0.75000000000000 0.65690963993656 207.200 > 23 24 Pb 0.73279853915311 0.75000000000000 0.84309036006344 207.200 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.145196280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.951544930000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.739730759999995 Atomic positions (fractional): *1 O 0.42190806094112 0.25000000000000 0.30625715022303 15.999 > 1 2 O 0.92190806094112 0.25000000000000 0.30625715022303 15.999 > 1 3 O 0.42190806094112 0.25000000000000 0.80625715022303 15.999 > 1 4 O 0.92190806094112 0.25000000000000 0.80625715022303 15.999 > 1 5 O 0.17190806094112 0.25000000000000 0.44374284977697 15.999 > 2 6 O 0.67190806094112 0.25000000000000 0.44374284977697 15.999 > 2 7 O 0.17190806094112 0.25000000000000 0.94374284977697 15.999 > 2 8 O 0.67190806094112 0.25000000000000 0.94374284977697 15.999 > 2 9 O 0.32809193905888 0.75000000000000 0.05625715022303 15.999 > 3 10 O 0.82809193905888 0.75000000000000 0.05625715022303 15.999 > 3 11 O 0.32809193905888 0.75000000000000 0.55625715022303 15.999 > 3 12 O 0.82809193905888 0.75000000000000 0.55625715022303 15.999 > 3 13 O 0.07809193905888 0.75000000000000 0.19374284977697 15.999 > 4 14 O 0.57809193905888 0.75000000000000 0.19374284977697 15.999 > 4 15 O 0.07809193905888 0.75000000000000 0.69374284977697 15.999 > 4 16 O 0.57809193905888 0.75000000000000 0.69374284977697 15.999 > 4 *17 O 0.49634670778947 0.87999169575715 0.38645352173569 15.999 > 5 18 O 0.99634670778947 0.87999169575715 0.38645352173569 15.999 > 5 19 O 0.49634670778947 0.87999169575715 0.88645352173569 15.999 > 5 20 O 0.99634670778947 0.87999169575715 0.88645352173569 15.999 > 5 21 O 0.24634670778947 0.62000830424285 0.36354647826431 15.999 > 6 22 O 0.74634670778947 0.62000830424285 0.36354647826431 15.999 > 6 23 O 0.24634670778947 0.62000830424285 0.86354647826431 15.999 > 6 24 O 0.74634670778947 0.62000830424285 0.86354647826431 15.999 > 6 25 O 0.25365329221053 0.12000830424285 0.13645352173569 15.999 > 7 26 O 0.75365329221053 0.12000830424285 0.13645352173569 15.999 > 7 27 O 0.25365329221053 0.12000830424285 0.63645352173569 15.999 > 7 28 O 0.75365329221053 0.12000830424285 0.63645352173569 15.999 > 7 29 O 0.00365329221053 0.37999169575715 0.11354647826431 15.999 > 8 30 O 0.50365329221053 0.37999169575715 0.11354647826431 15.999 > 8 31 O 0.00365329221053 0.37999169575715 0.61354647826431 15.999 > 8 32 O 0.50365329221053 0.37999169575715 0.61354647826431 15.999 > 8 33 O 0.00365329221053 0.12000830424285 0.11354647826431 15.999 > 9 34 O 0.50365329221053 0.12000830424285 0.11354647826431 15.999 > 9 35 O 0.00365329221053 0.12000830424285 0.61354647826431 15.999 > 9 36 O 0.50365329221053 0.12000830424285 0.61354647826431 15.999 > 9 37 O 0.49634670778947 0.62000830424285 0.38645352173569 15.999 > 10 38 O 0.99634670778947 0.62000830424285 0.38645352173569 15.999 > 10 39 O 0.49634670778947 0.62000830424285 0.88645352173569 15.999 > 10 40 O 0.99634670778947 0.62000830424285 0.88645352173569 15.999 > 10 41 O 0.24634670778947 0.87999169575715 0.36354647826431 15.999 > 11 42 O 0.74634670778947 0.87999169575715 0.36354647826431 15.999 > 11 43 O 0.24634670778947 0.87999169575715 0.86354647826431 15.999 > 11 44 O 0.74634670778947 0.87999169575715 0.86354647826431 15.999 > 11 45 O 0.25365329221053 0.37999169575715 0.13645352173569 15.999 > 12 46 O 0.75365329221053 0.37999169575715 0.13645352173569 15.999 > 12 47 O 0.25365329221053 0.37999169575715 0.63645352173569 15.999 > 12 48 O 0.75365329221053 0.37999169575715 0.63645352173569 15.999 > 12 *49 Rb 0.13315450990475 0.91313014567708 0.05383357277193 85.468 > 13 50 Rb 0.63315450990474 0.91313014567708 0.05383357277193 85.468 > 13 51 Rb 0.13315450990475 0.91313014567708 0.55383357277193 85.468 > 13 52 Rb 0.63315450990474 0.91313014567708 0.55383357277193 85.468 > 13 53 Rb 0.13315450990475 0.58686985432292 0.05383357277193 85.468 > 14 54 Rb 0.63315450990474 0.58686985432292 0.05383357277193 85.468 > 14 55 Rb 0.13315450990475 0.58686985432292 0.55383357277193 85.468 > 14 56 Rb 0.63315450990474 0.58686985432292 0.55383357277193 85.468 > 14 57 Rb 0.36684549009526 0.08686985432292 0.44616642722807 85.468 > 15 58 Rb 0.86684549009526 0.08686985432292 0.44616642722807 85.468 > 15 59 Rb 0.36684549009526 0.08686985432292 0.94616642722807 85.468 > 15 60 Rb 0.86684549009526 0.08686985432292 0.94616642722807 85.468 > 15 61 Rb 0.11684549009525 0.41313014567708 0.30383357277193 85.468 > 16 62 Rb 0.61684549009526 0.41313014567708 0.30383357277193 85.468 > 16 63 Rb 0.11684549009525 0.41313014567708 0.80383357277193 85.468 > 16 64 Rb 0.61684549009526 0.41313014567708 0.80383357277193 85.468 > 16 65 Rb 0.11684549009525 0.08686985432292 0.30383357277193 85.468 > 17 66 Rb 0.61684549009526 0.08686985432292 0.30383357277193 85.468 > 17 67 Rb 0.11684549009525 0.08686985432292 0.80383357277193 85.468 > 17 68 Rb 0.61684549009526 0.08686985432292 0.80383357277193 85.468 > 17 69 Rb 0.36684549009526 0.41313014567708 0.44616642722807 85.468 > 18 70 Rb 0.86684549009526 0.41313014567708 0.44616642722807 85.468 > 18 71 Rb 0.36684549009526 0.41313014567708 0.94616642722807 85.468 > 18 72 Rb 0.86684549009526 0.41313014567708 0.94616642722807 85.468 > 18 73 Rb 0.38315450990474 0.58686985432292 0.19616642722807 85.468 > 19 74 Rb 0.88315450990474 0.58686985432292 0.19616642722807 85.468 > 19 75 Rb 0.38315450990474 0.58686985432292 0.69616642722807 85.468 > 19 76 Rb 0.88315450990474 0.58686985432292 0.69616642722807 85.468 > 19 77 Rb 0.38315450990474 0.91313014567708 0.19616642722807 85.468 > 20 78 Rb 0.88315450990474 0.91313014567708 0.19616642722807 85.468 > 20 79 Rb 0.38315450990474 0.91313014567708 0.69616642722807 85.468 > 20 80 Rb 0.88315450990474 0.91313014567708 0.69616642722807 85.468 > 20 *81 Pb 0.13360073042344 0.25000000000000 0.07845481996828 207.200 > 21 82 Pb 0.63360073042344 0.25000000000000 0.07845481996828 207.200 > 21 83 Pb 0.13360073042344 0.25000000000000 0.57845481996828 207.200 > 21 84 Pb 0.63360073042344 0.25000000000000 0.57845481996828 207.200 > 21 85 Pb 0.38360073042344 0.25000000000000 0.17154518003172 207.200 > 22 86 Pb 0.88360073042344 0.25000000000000 0.17154518003172 207.200 > 22 87 Pb 0.38360073042344 0.25000000000000 0.67154518003172 207.200 > 22 88 Pb 0.88360073042344 0.25000000000000 0.67154518003172 207.200 > 22 89 Pb 0.11639926957656 0.75000000000000 0.32845481996828 207.200 > 23 90 Pb 0.61639926957656 0.75000000000000 0.32845481996828 207.200 > 23 91 Pb 0.11639926957656 0.75000000000000 0.82845481996828 207.200 > 23 92 Pb 0.61639926957656 0.75000000000000 0.82845481996828 207.200 > 23 93 Pb 0.36639926957656 0.75000000000000 0.42154518003172 207.200 > 24 94 Pb 0.86639926957656 0.75000000000000 0.42154518003172 207.200 > 24 95 Pb 0.36639926957656 0.75000000000000 0.92154518003172 207.200 > 24 96 Pb 0.86639926957656 0.75000000000000 0.92154518003172 207.200 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6128490 0.0000000 0.0000000 0.0000000 3.4105597 0.0000000 0.0000000 0.0000000 3.6044688 -------------------------- Born effective charges -------------------------- 1 O -1.6172984 0.0000000 0.1147034 0.0000000 -1.4223826 0.0000000 -0.1367479 0.0000000 -2.4248316 2 O -1.6172984 0.0000000 -0.1147034 0.0000000 -1.4223826 0.0000000 0.1367479 0.0000000 -2.4248316 3 O -1.6172984 0.0000000 -0.1147034 0.0000000 -1.4223826 0.0000000 0.1367479 0.0000000 -2.4248316 4 O -1.6172984 0.0000000 0.1147034 0.0000000 -1.4223826 0.0000000 -0.1367479 0.0000000 -2.4248316 5 O -2.6354016 -0.0540087 0.5049302 -0.0453818 -1.6959732 -0.0753791 0.3312388 -0.0783914 -1.4887142 6 O -2.6354016 0.0540087 -0.5049302 0.0453818 -1.6959732 -0.0753791 -0.3312388 -0.0783914 -1.4887142 7 O -2.6354016 -0.0540087 -0.5049302 -0.0453818 -1.6959732 0.0753791 -0.3312388 0.0783914 -1.4887142 8 O -2.6354016 0.0540087 0.5049302 0.0453818 -1.6959732 0.0753791 0.3312388 0.0783914 -1.4887142 9 O -2.6354016 -0.0540087 0.5049302 -0.0453818 -1.6959732 -0.0753791 0.3312388 -0.0783914 -1.4887142 10 O -2.6354016 0.0540087 0.5049302 0.0453818 -1.6959732 0.0753791 0.3312388 0.0783914 -1.4887142 11 O -2.6354016 -0.0540087 -0.5049302 -0.0453818 -1.6959732 0.0753791 -0.3312388 0.0783914 -1.4887142 12 O -2.6354016 0.0540087 -0.5049302 0.0453818 -1.6959732 -0.0753791 -0.3312388 -0.0783914 -1.4887142 13 Rb 1.1550688 -0.0536184 0.0658259 -0.0677018 1.3255766 0.1640439 -0.1092859 0.0390099 1.2884916 14 Rb 1.1550688 0.0536184 0.0658259 0.0677018 1.3255766 -0.1640439 -0.1092859 -0.0390099 1.2884916 15 Rb 1.1550688 -0.0536184 0.0658259 -0.0677018 1.3255766 0.1640439 -0.1092859 0.0390099 1.2884916 16 Rb 1.1550688 0.0536184 -0.0658259 0.0677018 1.3255766 0.1640439 0.1092859 0.0390099 1.2884916 17 Rb 1.1550688 -0.0536184 -0.0658259 -0.0677018 1.3255766 -0.1640439 0.1092859 -0.0390099 1.2884916 18 Rb 1.1550688 0.0536184 0.0658259 0.0677018 1.3255766 -0.1640439 -0.1092859 -0.0390099 1.2884916 19 Rb 1.1550688 0.0536184 -0.0658259 0.0677018 1.3255766 0.1640439 0.1092859 0.0390099 1.2884916 20 Rb 1.1550688 -0.0536184 -0.0658259 -0.0677018 1.3255766 -0.1640439 0.1092859 -0.0390099 1.2884916 21 Pb 4.5779641 0.0000000 0.3220310 0.0000000 2.1631759 0.0000000 -0.1310339 0.0000000 2.8252767 22 Pb 4.5779641 0.0000000 -0.3220310 0.0000000 2.1631759 0.0000000 0.1310339 0.0000000 2.8252767 23 Pb 4.5779641 0.0000000 -0.3220310 0.0000000 2.1631759 0.0000000 0.1310339 0.0000000 2.8252767 24 Pb 4.5779641 0.0000000 0.3220310 0.0000000 2.1631759 0.0000000 -0.1310339 0.0000000 2.8252767 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1384 Number of blocks in projector: 1384 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1384, 1356), data: False |-- (184, 180), data: True |-- (184, 180), data: True |-- (184, 180), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.554 Solver_block: 200 / 400 - Time: 1.533 Solver_block: 300 / 400 - Time: 1.536 Solver_block: 400 / 400 - Time: 1.536 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.189 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1384 Number of blocks in projector: 1384 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 184 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1384, 1356), data: False |-- (184, 180), data: True |-- (184, 180), data: True |-- (184, 180), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:56:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:56:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.072598140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.951544930000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.369865379999998 Atomic positions (fractional): 1 O 0.84381612188223 0.25000000000000 0.61251430044606 15.999 2 O 0.34381612188223 0.25000000000000 0.88748569955394 15.999 3 O 0.65618387811777 0.75000000000000 0.11251430044606 15.999 4 O 0.15618387811777 0.75000000000000 0.38748569955394 15.999 5 O 0.99269341557894 0.87999169575715 0.77290704347137 15.999 6 O 0.49269341557894 0.62000830424285 0.72709295652863 15.999 7 O 0.50730658442106 0.12000830424285 0.27290704347137 15.999 8 O 0.00730658442106 0.37999169575715 0.22709295652863 15.999 9 O 0.00730658442106 0.12000830424285 0.22709295652863 15.999 10 O 0.99269341557894 0.62000830424285 0.77290704347137 15.999 11 O 0.49269341557894 0.87999169575715 0.72709295652863 15.999 12 O 0.50730658442106 0.37999169575715 0.27290704347137 15.999 13 Rb 0.26630901980949 0.91313014567708 0.10766714554386 85.468 14 Rb 0.26630901980949 0.58686985432292 0.10766714554386 85.468 15 Rb 0.73369098019051 0.08686985432292 0.89233285445614 85.468 16 Rb 0.23369098019051 0.41313014567708 0.60766714554386 85.468 17 Rb 0.23369098019051 0.08686985432292 0.60766714554386 85.468 18 Rb 0.73369098019051 0.41313014567708 0.89233285445614 85.468 19 Rb 0.76630901980949 0.58686985432292 0.39233285445614 85.468 20 Rb 0.76630901980949 0.91313014567708 0.39233285445614 85.468 21 Pb 0.26720146084689 0.25000000000000 0.15690963993656 207.200 22 Pb 0.76720146084689 0.25000000000000 0.34309036006344 207.200 23 Pb 0.23279853915311 0.75000000000000 0.65690963993656 207.200 24 Pb 0.73279853915311 0.75000000000000 0.84309036006344 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.145196280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.951544930000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.739730759999995 Atomic positions (fractional): 1 O 0.42190806094112 0.25000000000000 0.30625715022303 15.999 > 1 2 O 0.92190806094112 0.25000000000000 0.30625715022303 15.999 > 1 3 O 0.42190806094112 0.25000000000000 0.80625715022303 15.999 > 1 4 O 0.92190806094112 0.25000000000000 0.80625715022303 15.999 > 1 5 O 0.17190806094112 0.25000000000000 0.44374284977697 15.999 > 5 6 O 0.67190806094112 0.25000000000000 0.44374284977697 15.999 > 5 7 O 0.17190806094112 0.25000000000000 0.94374284977697 15.999 > 5 8 O 0.67190806094112 0.25000000000000 0.94374284977697 15.999 > 5 9 O 0.32809193905888 0.75000000000000 0.05625715022303 15.999 > 9 10 O 0.82809193905888 0.75000000000000 0.05625715022303 15.999 > 9 11 O 0.32809193905888 0.75000000000000 0.55625715022303 15.999 > 9 12 O 0.82809193905888 0.75000000000000 0.55625715022303 15.999 > 9 13 O 0.07809193905888 0.75000000000000 0.19374284977697 15.999 > 13 14 O 0.57809193905888 0.75000000000000 0.19374284977697 15.999 > 13 15 O 0.07809193905888 0.75000000000000 0.69374284977697 15.999 > 13 16 O 0.57809193905888 0.75000000000000 0.69374284977697 15.999 > 13 17 O 0.49634670778947 0.87999169575715 0.38645352173569 15.999 > 17 18 O 0.99634670778947 0.87999169575715 0.38645352173569 15.999 > 17 19 O 0.49634670778947 0.87999169575715 0.88645352173569 15.999 > 17 20 O 0.99634670778947 0.87999169575715 0.88645352173569 15.999 > 17 21 O 0.24634670778947 0.62000830424285 0.36354647826431 15.999 > 21 22 O 0.74634670778947 0.62000830424285 0.36354647826431 15.999 > 21 23 O 0.24634670778947 0.62000830424285 0.86354647826431 15.999 > 21 24 O 0.74634670778947 0.62000830424285 0.86354647826431 15.999 > 21 25 O 0.25365329221053 0.12000830424285 0.13645352173569 15.999 > 25 26 O 0.75365329221053 0.12000830424285 0.13645352173569 15.999 > 25 27 O 0.25365329221053 0.12000830424285 0.63645352173569 15.999 > 25 28 O 0.75365329221053 0.12000830424285 0.63645352173569 15.999 > 25 29 O 0.00365329221053 0.37999169575715 0.11354647826431 15.999 > 29 30 O 0.50365329221053 0.37999169575715 0.11354647826431 15.999 > 29 31 O 0.00365329221053 0.37999169575715 0.61354647826431 15.999 > 29 32 O 0.50365329221053 0.37999169575715 0.61354647826431 15.999 > 29 33 O 0.00365329221053 0.12000830424285 0.11354647826431 15.999 > 33 34 O 0.50365329221053 0.12000830424285 0.11354647826431 15.999 > 33 35 O 0.00365329221053 0.12000830424285 0.61354647826431 15.999 > 33 36 O 0.50365329221053 0.12000830424285 0.61354647826431 15.999 > 33 37 O 0.49634670778947 0.62000830424285 0.38645352173569 15.999 > 37 38 O 0.99634670778947 0.62000830424285 0.38645352173569 15.999 > 37 39 O 0.49634670778947 0.62000830424285 0.88645352173569 15.999 > 37 40 O 0.99634670778947 0.62000830424285 0.88645352173569 15.999 > 37 41 O 0.24634670778947 0.87999169575715 0.36354647826431 15.999 > 41 42 O 0.74634670778947 0.87999169575715 0.36354647826431 15.999 > 41 43 O 0.24634670778947 0.87999169575715 0.86354647826431 15.999 > 41 44 O 0.74634670778947 0.87999169575715 0.86354647826431 15.999 > 41 45 O 0.25365329221053 0.37999169575715 0.13645352173569 15.999 > 45 46 O 0.75365329221053 0.37999169575715 0.13645352173569 15.999 > 45 47 O 0.25365329221053 0.37999169575715 0.63645352173569 15.999 > 45 48 O 0.75365329221053 0.37999169575715 0.63645352173569 15.999 > 45 49 Rb 0.13315450990475 0.91313014567708 0.05383357277193 85.468 > 49 50 Rb 0.63315450990474 0.91313014567708 0.05383357277193 85.468 > 49 51 Rb 0.13315450990475 0.91313014567708 0.55383357277193 85.468 > 49 52 Rb 0.63315450990474 0.91313014567708 0.55383357277193 85.468 > 49 53 Rb 0.13315450990475 0.58686985432292 0.05383357277193 85.468 > 53 54 Rb 0.63315450990474 0.58686985432292 0.05383357277193 85.468 > 53 55 Rb 0.13315450990475 0.58686985432292 0.55383357277193 85.468 > 53 56 Rb 0.63315450990474 0.58686985432292 0.55383357277193 85.468 > 53 57 Rb 0.36684549009526 0.08686985432292 0.44616642722807 85.468 > 57 58 Rb 0.86684549009526 0.08686985432292 0.44616642722807 85.468 > 57 59 Rb 0.36684549009526 0.08686985432292 0.94616642722807 85.468 > 57 60 Rb 0.86684549009526 0.08686985432292 0.94616642722807 85.468 > 57 61 Rb 0.11684549009525 0.41313014567708 0.30383357277193 85.468 > 61 62 Rb 0.61684549009526 0.41313014567708 0.30383357277193 85.468 > 61 63 Rb 0.11684549009525 0.41313014567708 0.80383357277193 85.468 > 61 64 Rb 0.61684549009526 0.41313014567708 0.80383357277193 85.468 > 61 65 Rb 0.11684549009525 0.08686985432292 0.30383357277193 85.468 > 65 66 Rb 0.61684549009526 0.08686985432292 0.30383357277193 85.468 > 65 67 Rb 0.11684549009525 0.08686985432292 0.80383357277193 85.468 > 65 68 Rb 0.61684549009526 0.08686985432292 0.80383357277193 85.468 > 65 69 Rb 0.36684549009526 0.41313014567708 0.44616642722807 85.468 > 69 70 Rb 0.86684549009526 0.41313014567708 0.44616642722807 85.468 > 69 71 Rb 0.36684549009526 0.41313014567708 0.94616642722807 85.468 > 69 72 Rb 0.86684549009526 0.41313014567708 0.94616642722807 85.468 > 69 73 Rb 0.38315450990474 0.58686985432292 0.19616642722807 85.468 > 73 74 Rb 0.88315450990474 0.58686985432292 0.19616642722807 85.468 > 73 75 Rb 0.38315450990474 0.58686985432292 0.69616642722807 85.468 > 73 76 Rb 0.88315450990474 0.58686985432292 0.69616642722807 85.468 > 73 77 Rb 0.38315450990474 0.91313014567708 0.19616642722807 85.468 > 77 78 Rb 0.88315450990474 0.91313014567708 0.19616642722807 85.468 > 77 79 Rb 0.38315450990474 0.91313014567708 0.69616642722807 85.468 > 77 80 Rb 0.88315450990474 0.91313014567708 0.69616642722807 85.468 > 77 81 Pb 0.13360073042344 0.25000000000000 0.07845481996828 207.200 > 81 82 Pb 0.63360073042344 0.25000000000000 0.07845481996828 207.200 > 81 83 Pb 0.13360073042344 0.25000000000000 0.57845481996828 207.200 > 81 84 Pb 0.63360073042344 0.25000000000000 0.57845481996828 207.200 > 81 85 Pb 0.38360073042344 0.25000000000000 0.17154518003172 207.200 > 85 86 Pb 0.88360073042344 0.25000000000000 0.17154518003172 207.200 > 85 87 Pb 0.38360073042344 0.25000000000000 0.67154518003172 207.200 > 85 88 Pb 0.88360073042344 0.25000000000000 0.67154518003172 207.200 > 85 89 Pb 0.11639926957656 0.75000000000000 0.32845481996828 207.200 > 89 90 Pb 0.61639926957656 0.75000000000000 0.32845481996828 207.200 > 89 91 Pb 0.11639926957656 0.75000000000000 0.82845481996828 207.200 > 89 92 Pb 0.61639926957656 0.75000000000000 0.82845481996828 207.200 > 89 93 Pb 0.36639926957656 0.75000000000000 0.42154518003172 207.200 > 93 94 Pb 0.86639926957656 0.75000000000000 0.42154518003172 207.200 > 93 95 Pb 0.36639926957656 0.75000000000000 0.92154518003172 207.200 > 93 96 Pb 0.86639926957656 0.75000000000000 0.92154518003172 207.200 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6128490 0.0000000 0.0000000 0.0000000 3.4105597 0.0000000 0.0000000 0.0000000 3.6044688 -------------------------- Born effective charges -------------------------- 1 O -1.6172984 0.0000000 0.1147034 0.0000000 -1.4223826 0.0000000 -0.1367479 0.0000000 -2.4248316 2 O -1.6172984 0.0000000 -0.1147034 0.0000000 -1.4223826 0.0000000 0.1367479 0.0000000 -2.4248316 3 O -1.6172984 0.0000000 -0.1147034 0.0000000 -1.4223826 0.0000000 0.1367479 0.0000000 -2.4248316 4 O -1.6172984 0.0000000 0.1147034 0.0000000 -1.4223826 0.0000000 -0.1367479 0.0000000 -2.4248316 5 O -2.6354016 -0.0540087 0.5049302 -0.0453818 -1.6959732 -0.0753791 0.3312388 -0.0783914 -1.4887142 6 O -2.6354016 0.0540087 -0.5049302 0.0453818 -1.6959732 -0.0753791 -0.3312388 -0.0783914 -1.4887142 7 O -2.6354016 -0.0540087 -0.5049302 -0.0453818 -1.6959732 0.0753791 -0.3312388 0.0783914 -1.4887142 8 O -2.6354016 0.0540087 0.5049302 0.0453818 -1.6959732 0.0753791 0.3312388 0.0783914 -1.4887142 9 O -2.6354016 -0.0540087 0.5049302 -0.0453818 -1.6959732 -0.0753791 0.3312388 -0.0783914 -1.4887142 10 O -2.6354016 0.0540087 0.5049302 0.0453818 -1.6959732 0.0753791 0.3312388 0.0783914 -1.4887142 11 O -2.6354016 -0.0540087 -0.5049302 -0.0453818 -1.6959732 0.0753791 -0.3312388 0.0783914 -1.4887142 12 O -2.6354016 0.0540087 -0.5049302 0.0453818 -1.6959732 -0.0753791 -0.3312388 -0.0783914 -1.4887142 13 Rb 1.1550688 -0.0536184 0.0658259 -0.0677018 1.3255766 0.1640439 -0.1092859 0.0390099 1.2884916 14 Rb 1.1550688 0.0536184 0.0658259 0.0677018 1.3255766 -0.1640439 -0.1092859 -0.0390099 1.2884916 15 Rb 1.1550688 -0.0536184 0.0658259 -0.0677018 1.3255766 0.1640439 -0.1092859 0.0390099 1.2884916 16 Rb 1.1550688 0.0536184 -0.0658259 0.0677018 1.3255766 0.1640439 0.1092859 0.0390099 1.2884916 17 Rb 1.1550688 -0.0536184 -0.0658259 -0.0677018 1.3255766 -0.1640439 0.1092859 -0.0390099 1.2884916 18 Rb 1.1550688 0.0536184 0.0658259 0.0677018 1.3255766 -0.1640439 -0.1092859 -0.0390099 1.2884916 19 Rb 1.1550688 0.0536184 -0.0658259 0.0677018 1.3255766 0.1640439 0.1092859 0.0390099 1.2884916 20 Rb 1.1550688 -0.0536184 -0.0658259 -0.0677018 1.3255766 -0.1640439 0.1092859 -0.0390099 1.2884916 21 Pb 4.5779641 0.0000000 0.3220310 0.0000000 2.1631759 0.0000000 -0.1310339 0.0000000 2.8252767 22 Pb 4.5779641 0.0000000 -0.3220310 0.0000000 2.1631759 0.0000000 0.1310339 0.0000000 2.8252767 23 Pb 4.5779641 0.0000000 -0.3220310 0.0000000 2.1631759 0.0000000 0.1310339 0.0000000 2.8252767 24 Pb 4.5779641 0.0000000 0.3220310 0.0000000 2.1631759 0.0000000 -0.1310339 0.0000000 2.8252767 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:57:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:57:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.072598140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.951544930000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.369865379999998 Atomic positions (fractional): 1 O 0.84381612188223 0.25000000000000 0.61251430044606 15.999 2 O 0.34381612188223 0.25000000000000 0.88748569955394 15.999 3 O 0.65618387811777 0.75000000000000 0.11251430044606 15.999 4 O 0.15618387811777 0.75000000000000 0.38748569955394 15.999 5 O 0.99269341557894 0.87999169575715 0.77290704347137 15.999 6 O 0.49269341557894 0.62000830424285 0.72709295652863 15.999 7 O 0.50730658442106 0.12000830424285 0.27290704347137 15.999 8 O 0.00730658442106 0.37999169575715 0.22709295652863 15.999 9 O 0.00730658442106 0.12000830424285 0.22709295652863 15.999 10 O 0.99269341557894 0.62000830424285 0.77290704347137 15.999 11 O 0.49269341557894 0.87999169575715 0.72709295652863 15.999 12 O 0.50730658442106 0.37999169575715 0.27290704347137 15.999 13 Rb 0.26630901980949 0.91313014567708 0.10766714554386 85.468 14 Rb 0.26630901980949 0.58686985432292 0.10766714554386 85.468 15 Rb 0.73369098019051 0.08686985432292 0.89233285445614 85.468 16 Rb 0.23369098019051 0.41313014567708 0.60766714554386 85.468 17 Rb 0.23369098019051 0.08686985432292 0.60766714554386 85.468 18 Rb 0.73369098019051 0.41313014567708 0.89233285445614 85.468 19 Rb 0.76630901980949 0.58686985432292 0.39233285445614 85.468 20 Rb 0.76630901980949 0.91313014567708 0.39233285445614 85.468 21 Pb 0.26720146084689 0.25000000000000 0.15690963993656 207.200 22 Pb 0.76720146084689 0.25000000000000 0.34309036006344 207.200 23 Pb 0.23279853915311 0.75000000000000 0.65690963993656 207.200 24 Pb 0.73279853915311 0.75000000000000 0.84309036006344 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.145196280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.951544930000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.739730759999995 Atomic positions (fractional): 1 O 0.42190806094112 0.25000000000000 0.30625715022303 15.999 > 1 2 O 0.92190806094112 0.25000000000000 0.30625715022303 15.999 > 1 3 O 0.42190806094112 0.25000000000000 0.80625715022303 15.999 > 1 4 O 0.92190806094112 0.25000000000000 0.80625715022303 15.999 > 1 5 O 0.17190806094112 0.25000000000000 0.44374284977697 15.999 > 5 6 O 0.67190806094112 0.25000000000000 0.44374284977697 15.999 > 5 7 O 0.17190806094112 0.25000000000000 0.94374284977697 15.999 > 5 8 O 0.67190806094112 0.25000000000000 0.94374284977697 15.999 > 5 9 O 0.32809193905888 0.75000000000000 0.05625715022303 15.999 > 9 10 O 0.82809193905888 0.75000000000000 0.05625715022303 15.999 > 9 11 O 0.32809193905888 0.75000000000000 0.55625715022303 15.999 > 9 12 O 0.82809193905888 0.75000000000000 0.55625715022303 15.999 > 9 13 O 0.07809193905888 0.75000000000000 0.19374284977697 15.999 > 13 14 O 0.57809193905888 0.75000000000000 0.19374284977697 15.999 > 13 15 O 0.07809193905888 0.75000000000000 0.69374284977697 15.999 > 13 16 O 0.57809193905888 0.75000000000000 0.69374284977697 15.999 > 13 17 O 0.49634670778947 0.87999169575715 0.38645352173569 15.999 > 17 18 O 0.99634670778947 0.87999169575715 0.38645352173569 15.999 > 17 19 O 0.49634670778947 0.87999169575715 0.88645352173569 15.999 > 17 20 O 0.99634670778947 0.87999169575715 0.88645352173569 15.999 > 17 21 O 0.24634670778947 0.62000830424285 0.36354647826431 15.999 > 21 22 O 0.74634670778947 0.62000830424285 0.36354647826431 15.999 > 21 23 O 0.24634670778947 0.62000830424285 0.86354647826431 15.999 > 21 24 O 0.74634670778947 0.62000830424285 0.86354647826431 15.999 > 21 25 O 0.25365329221053 0.12000830424285 0.13645352173569 15.999 > 25 26 O 0.75365329221053 0.12000830424285 0.13645352173569 15.999 > 25 27 O 0.25365329221053 0.12000830424285 0.63645352173569 15.999 > 25 28 O 0.75365329221053 0.12000830424285 0.63645352173569 15.999 > 25 29 O 0.00365329221053 0.37999169575715 0.11354647826431 15.999 > 29 30 O 0.50365329221053 0.37999169575715 0.11354647826431 15.999 > 29 31 O 0.00365329221053 0.37999169575715 0.61354647826431 15.999 > 29 32 O 0.50365329221053 0.37999169575715 0.61354647826431 15.999 > 29 33 O 0.00365329221053 0.12000830424285 0.11354647826431 15.999 > 33 34 O 0.50365329221053 0.12000830424285 0.11354647826431 15.999 > 33 35 O 0.00365329221053 0.12000830424285 0.61354647826431 15.999 > 33 36 O 0.50365329221053 0.12000830424285 0.61354647826431 15.999 > 33 37 O 0.49634670778947 0.62000830424285 0.38645352173569 15.999 > 37 38 O 0.99634670778947 0.62000830424285 0.38645352173569 15.999 > 37 39 O 0.49634670778947 0.62000830424285 0.88645352173569 15.999 > 37 40 O 0.99634670778947 0.62000830424285 0.88645352173569 15.999 > 37 41 O 0.24634670778947 0.87999169575715 0.36354647826431 15.999 > 41 42 O 0.74634670778947 0.87999169575715 0.36354647826431 15.999 > 41 43 O 0.24634670778947 0.87999169575715 0.86354647826431 15.999 > 41 44 O 0.74634670778947 0.87999169575715 0.86354647826431 15.999 > 41 45 O 0.25365329221053 0.37999169575715 0.13645352173569 15.999 > 45 46 O 0.75365329221053 0.37999169575715 0.13645352173569 15.999 > 45 47 O 0.25365329221053 0.37999169575715 0.63645352173569 15.999 > 45 48 O 0.75365329221053 0.37999169575715 0.63645352173569 15.999 > 45 49 Rb 0.13315450990475 0.91313014567708 0.05383357277193 85.468 > 49 50 Rb 0.63315450990474 0.91313014567708 0.05383357277193 85.468 > 49 51 Rb 0.13315450990475 0.91313014567708 0.55383357277193 85.468 > 49 52 Rb 0.63315450990474 0.91313014567708 0.55383357277193 85.468 > 49 53 Rb 0.13315450990475 0.58686985432292 0.05383357277193 85.468 > 53 54 Rb 0.63315450990474 0.58686985432292 0.05383357277193 85.468 > 53 55 Rb 0.13315450990475 0.58686985432292 0.55383357277193 85.468 > 53 56 Rb 0.63315450990474 0.58686985432292 0.55383357277193 85.468 > 53 57 Rb 0.36684549009526 0.08686985432292 0.44616642722807 85.468 > 57 58 Rb 0.86684549009526 0.08686985432292 0.44616642722807 85.468 > 57 59 Rb 0.36684549009526 0.08686985432292 0.94616642722807 85.468 > 57 60 Rb 0.86684549009526 0.08686985432292 0.94616642722807 85.468 > 57 61 Rb 0.11684549009525 0.41313014567708 0.30383357277193 85.468 > 61 62 Rb 0.61684549009526 0.41313014567708 0.30383357277193 85.468 > 61 63 Rb 0.11684549009525 0.41313014567708 0.80383357277193 85.468 > 61 64 Rb 0.61684549009526 0.41313014567708 0.80383357277193 85.468 > 61 65 Rb 0.11684549009525 0.08686985432292 0.30383357277193 85.468 > 65 66 Rb 0.61684549009526 0.08686985432292 0.30383357277193 85.468 > 65 67 Rb 0.11684549009525 0.08686985432292 0.80383357277193 85.468 > 65 68 Rb 0.61684549009526 0.08686985432292 0.80383357277193 85.468 > 65 69 Rb 0.36684549009526 0.41313014567708 0.44616642722807 85.468 > 69 70 Rb 0.86684549009526 0.41313014567708 0.44616642722807 85.468 > 69 71 Rb 0.36684549009526 0.41313014567708 0.94616642722807 85.468 > 69 72 Rb 0.86684549009526 0.41313014567708 0.94616642722807 85.468 > 69 73 Rb 0.38315450990474 0.58686985432292 0.19616642722807 85.468 > 73 74 Rb 0.88315450990474 0.58686985432292 0.19616642722807 85.468 > 73 75 Rb 0.38315450990474 0.58686985432292 0.69616642722807 85.468 > 73 76 Rb 0.88315450990474 0.58686985432292 0.69616642722807 85.468 > 73 77 Rb 0.38315450990474 0.91313014567708 0.19616642722807 85.468 > 77 78 Rb 0.88315450990474 0.91313014567708 0.19616642722807 85.468 > 77 79 Rb 0.38315450990474 0.91313014567708 0.69616642722807 85.468 > 77 80 Rb 0.88315450990474 0.91313014567708 0.69616642722807 85.468 > 77 81 Pb 0.13360073042344 0.25000000000000 0.07845481996828 207.200 > 81 82 Pb 0.63360073042344 0.25000000000000 0.07845481996828 207.200 > 81 83 Pb 0.13360073042344 0.25000000000000 0.57845481996828 207.200 > 81 84 Pb 0.63360073042344 0.25000000000000 0.57845481996828 207.200 > 81 85 Pb 0.38360073042344 0.25000000000000 0.17154518003172 207.200 > 85 86 Pb 0.88360073042344 0.25000000000000 0.17154518003172 207.200 > 85 87 Pb 0.38360073042344 0.25000000000000 0.67154518003172 207.200 > 85 88 Pb 0.88360073042344 0.25000000000000 0.67154518003172 207.200 > 85 89 Pb 0.11639926957656 0.75000000000000 0.32845481996828 207.200 > 89 90 Pb 0.61639926957656 0.75000000000000 0.32845481996828 207.200 > 89 91 Pb 0.11639926957656 0.75000000000000 0.82845481996828 207.200 > 89 92 Pb 0.61639926957656 0.75000000000000 0.82845481996828 207.200 > 89 93 Pb 0.36639926957656 0.75000000000000 0.42154518003172 207.200 > 93 94 Pb 0.86639926957656 0.75000000000000 0.42154518003172 207.200 > 93 95 Pb 0.36639926957656 0.75000000000000 0.92154518003172 207.200 > 93 96 Pb 0.86639926957656 0.75000000000000 0.92154518003172 207.200 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6128490 0.0000000 0.0000000 0.0000000 3.4105597 0.0000000 0.0000000 0.0000000 3.6044688 -------------------------- Born effective charges -------------------------- 1 O -1.6172984 0.0000000 0.1147034 0.0000000 -1.4223826 0.0000000 -0.1367479 0.0000000 -2.4248316 2 O -1.6172984 0.0000000 -0.1147034 0.0000000 -1.4223826 0.0000000 0.1367479 0.0000000 -2.4248316 3 O -1.6172984 0.0000000 -0.1147034 0.0000000 -1.4223826 0.0000000 0.1367479 0.0000000 -2.4248316 4 O -1.6172984 0.0000000 0.1147034 0.0000000 -1.4223826 0.0000000 -0.1367479 0.0000000 -2.4248316 5 O -2.6354016 -0.0540087 0.5049302 -0.0453818 -1.6959732 -0.0753791 0.3312388 -0.0783914 -1.4887142 6 O -2.6354016 0.0540087 -0.5049302 0.0453818 -1.6959732 -0.0753791 -0.3312388 -0.0783914 -1.4887142 7 O -2.6354016 -0.0540087 -0.5049302 -0.0453818 -1.6959732 0.0753791 -0.3312388 0.0783914 -1.4887142 8 O -2.6354016 0.0540087 0.5049302 0.0453818 -1.6959732 0.0753791 0.3312388 0.0783914 -1.4887142 9 O -2.6354016 -0.0540087 0.5049302 -0.0453818 -1.6959732 -0.0753791 0.3312388 -0.0783914 -1.4887142 10 O -2.6354016 0.0540087 0.5049302 0.0453818 -1.6959732 0.0753791 0.3312388 0.0783914 -1.4887142 11 O -2.6354016 -0.0540087 -0.5049302 -0.0453818 -1.6959732 0.0753791 -0.3312388 0.0783914 -1.4887142 12 O -2.6354016 0.0540087 -0.5049302 0.0453818 -1.6959732 -0.0753791 -0.3312388 -0.0783914 -1.4887142 13 Rb 1.1550688 -0.0536184 0.0658259 -0.0677018 1.3255766 0.1640439 -0.1092859 0.0390099 1.2884916 14 Rb 1.1550688 0.0536184 0.0658259 0.0677018 1.3255766 -0.1640439 -0.1092859 -0.0390099 1.2884916 15 Rb 1.1550688 -0.0536184 0.0658259 -0.0677018 1.3255766 0.1640439 -0.1092859 0.0390099 1.2884916 16 Rb 1.1550688 0.0536184 -0.0658259 0.0677018 1.3255766 0.1640439 0.1092859 0.0390099 1.2884916 17 Rb 1.1550688 -0.0536184 -0.0658259 -0.0677018 1.3255766 -0.1640439 0.1092859 -0.0390099 1.2884916 18 Rb 1.1550688 0.0536184 0.0658259 0.0677018 1.3255766 -0.1640439 -0.1092859 -0.0390099 1.2884916 19 Rb 1.1550688 0.0536184 -0.0658259 0.0677018 1.3255766 0.1640439 0.1092859 0.0390099 1.2884916 20 Rb 1.1550688 -0.0536184 -0.0658259 -0.0677018 1.3255766 -0.1640439 0.1092859 -0.0390099 1.2884916 21 Pb 4.5779641 0.0000000 0.3220310 0.0000000 2.1631759 0.0000000 -0.1310339 0.0000000 2.8252767 22 Pb 4.5779641 0.0000000 -0.3220310 0.0000000 2.1631759 0.0000000 0.1310339 0.0000000 2.8252767 23 Pb 4.5779641 0.0000000 -0.3220310 0.0000000 2.1631759 0.0000000 0.1310339 0.0000000 2.8252767 24 Pb 4.5779641 0.0000000 0.3220310 0.0000000 2.1631759 0.0000000 -0.1310339 0.0000000 2.8252767 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) 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 5 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 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 1.226 ( 0.000 0.000 0.000) 0.000 1.230 ( 0.000 0.000 0.000) 0.000 1.248 ( 0.000 0.000 0.000) 0.000 1.354 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.884 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 2.041 ( 0.000 0.000 0.000) 0.000 2.043 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.383 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.696 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.806 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.258 ( 0.000 0.000 0.000) 0.000 6.271 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 7.843 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 8.870 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.601 ( 0.000 0.000 0.000) 0.000 10.714 ( 0.000 0.000 0.000) 0.000 10.729 ( 0.000 0.000 0.000) 0.000 12.063 ( 0.000 0.000 0.000) 0.000 13.140 ( 0.000 0.000 0.000) 0.000 13.222 ( 0.000 0.000 0.000) 0.000 13.357 ( 0.000 0.000 0.000) 0.000 13.418 ( 0.000 0.000 0.000) 0.000 13.482 ( 0.000 0.000 0.000) 0.000 14.162 ( 0.000 0.000 0.000) 0.000 14.371 ( 0.000 0.000 0.000) 0.000 14.475 ( 0.000 0.000 0.000) 0.000 14.487 ( 0.000 0.000 0.000) 0.000 16.770 ( 0.000 0.000 0.000) 0.000 16.804 ( 0.000 0.000 0.000) 0.000 17.292 ( 0.000 0.000 0.000) 0.000 17.438 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 13.009 0.000 0.000) 13.009 0.409 ( 19.694 0.000 0.000) 19.694 0.840 ( 36.341 0.000 0.000) 36.341 1.269 ( 3.719 0.000 0.000) 3.719 1.326 ( 8.676 0.000 0.000) 8.676 1.350 ( -0.174 0.000 0.000) 0.174 1.480 ( 17.869 0.000 0.000) 17.869 1.547 ( 0.961 0.000 0.000) 0.961 1.835 ( -3.530 0.000 0.000) 3.530 1.869 ( -4.663 0.000 0.000) 4.663 2.006 ( -4.638 0.000 0.000) 4.638 2.039 ( -1.073 0.000 0.000) 1.073 2.138 ( -2.882 0.000 0.000) 2.882 2.229 ( -3.935 0.000 0.000) 3.935 2.282 ( -1.377 0.000 0.000) 1.377 2.310 ( -2.538 0.000 0.000) 2.538 2.329 ( -9.809 0.000 0.000) 9.809 2.430 ( 1.823 0.000 0.000) 1.823 2.518 ( -5.276 0.000 0.000) 5.276 2.520 ( 1.432 0.000 0.000) 1.432 2.526 ( -5.338 0.000 0.000) 5.338 2.608 ( 8.549 0.000 0.000) 8.549 2.615 ( 2.534 0.000 0.000) 2.534 2.809 ( -1.738 0.000 0.000) 1.738 2.831 ( 3.435 0.000 0.000) 3.435 2.937 ( -2.263 0.000 0.000) 2.263 3.010 ( -1.070 0.000 0.000) 1.070 3.098 ( 3.899 0.000 0.000) 3.899 3.120 ( 1.539 0.000 0.000) 1.539 3.182 ( 2.393 0.000 0.000) 2.393 3.256 ( 4.408 0.000 0.000) 4.408 3.459 ( -3.197 0.000 0.000) 3.197 3.500 ( 11.748 0.000 0.000) 11.748 3.559 ( -6.252 0.000 0.000) 6.252 3.571 ( 14.630 0.000 0.000) 14.630 3.672 ( -1.297 0.000 0.000) 1.297 4.064 ( 15.879 0.000 0.000) 15.879 4.112 ( 14.881 0.000 0.000) 14.881 4.174 ( 2.528 0.000 0.000) 2.528 4.536 ( 0.520 0.000 0.000) 0.520 4.745 ( -5.419 0.000 0.000) 5.419 4.782 ( -3.941 0.000 0.000) 3.941 5.870 ( -5.191 0.000 0.000) 5.191 5.938 ( -3.856 0.000 0.000) 3.856 6.121 ( -9.950 0.000 0.000) 9.950 6.251 ( -4.851 0.000 0.000) 4.851 6.282 ( -10.334 0.000 0.000) 10.334 6.350 ( -4.633 0.000 0.000) 4.633 6.371 ( 17.163 0.000 0.000) 17.163 7.224 ( 2.409 0.000 0.000) 2.409 7.520 ( 0.281 0.000 0.000) 0.281 7.820 ( -2.262 0.000 0.000) 2.262 9.127 ( 25.848 0.000 0.000) 25.848 9.217 ( 29.603 0.000 0.000) 29.603 10.504 ( 6.362 0.000 0.000) 6.362 10.698 ( 9.073 0.000 0.000) 9.073 11.039 ( 29.909 0.000 0.000) 29.909 12.021 ( -4.023 0.000 0.000) 4.023 13.074 ( -6.446 0.000 0.000) 6.446 13.162 ( -6.005 0.000 0.000) 6.005 13.258 ( -9.197 0.000 0.000) 9.197 13.447 ( 2.747 0.000 0.000) 2.747 13.507 ( 2.319 0.000 0.000) 2.319 13.801 ( 3.008 0.000 0.000) 3.008 14.143 ( -1.869 0.000 0.000) 1.869 14.354 ( -1.870 0.000 0.000) 1.870 14.483 ( -0.321 0.000 0.000) 0.321 14.499 ( -3.980 0.000 0.000) 3.980 16.790 ( 1.901 0.000 0.000) 1.901 16.824 ( 2.007 0.000 0.000) 2.007 17.272 ( -1.941 0.000 0.000) 1.941 17.428 ( -2.745 0.000 0.000) 2.745 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 14.801 0.000 0.000) 14.801 0.806 ( 18.624 0.000 0.000) 18.624 1.346 ( 10.477 0.000 0.000) 10.477 1.356 ( 0.637 0.000 0.000) 0.637 1.373 ( 6.068 0.000 0.000) 6.068 1.514 ( 6.832 0.000 0.000) 6.832 1.598 ( 5.140 0.000 0.000) 5.140 1.721 ( 2.295 0.000 0.000) 2.295 1.752 ( -6.642 0.000 0.000) 6.642 1.780 ( -0.849 0.000 0.000) 0.849 1.987 ( -3.920 0.000 0.000) 3.920 2.082 ( -12.688 0.000 0.000) 12.688 2.097 ( 11.274 0.000 0.000) 11.274 2.138 ( -4.265 0.000 0.000) 4.265 2.142 ( 0.135 0.000 0.000) 0.135 2.228 ( 1.787 0.000 0.000) 1.787 2.244 ( -3.728 0.000 0.000) 3.728 2.357 ( -8.513 0.000 0.000) 8.513 2.388 ( -8.168 0.000 0.000) 8.168 2.476 ( 6.483 0.000 0.000) 6.483 2.542 ( 0.735 0.000 0.000) 0.735 2.716 ( 3.070 0.000 0.000) 3.070 2.778 ( 7.312 0.000 0.000) 7.312 2.791 ( 0.223 0.000 0.000) 0.223 2.811 ( -1.600 0.000 0.000) 1.600 2.952 ( 2.200 0.000 0.000) 2.200 2.994 ( -0.431 0.000 0.000) 0.431 3.117 ( -1.750 0.000 0.000) 1.750 3.141 ( 0.224 0.000 0.000) 0.224 3.207 ( -0.844 0.000 0.000) 0.844 3.358 ( 4.657 0.000 0.000) 4.657 3.429 ( -4.783 0.000 0.000) 4.783 3.490 ( 5.908 0.000 0.000) 5.908 3.707 ( 5.053 0.000 0.000) 5.053 3.850 ( 19.979 0.000 0.000) 19.979 3.927 ( 18.099 0.000 0.000) 18.099 4.252 ( 4.991 0.000 0.000) 4.991 4.429 ( 19.102 0.000 0.000) 19.102 4.487 ( 20.471 0.000 0.000) 20.471 4.551 ( 0.817 0.000 0.000) 0.817 4.586 ( -10.004 0.000 0.000) 10.004 4.650 ( -8.945 0.000 0.000) 8.945 5.734 ( -7.431 0.000 0.000) 7.431 5.827 ( -6.699 0.000 0.000) 6.699 5.873 ( -13.764 0.000 0.000) 13.764 6.056 ( -10.295 0.000 0.000) 10.295 6.072 ( -12.177 0.000 0.000) 12.177 6.213 ( -8.377 0.000 0.000) 8.377 6.764 ( 19.135 0.000 0.000) 19.135 7.290 ( 3.836 0.000 0.000) 3.836 7.519 ( -0.563 0.000 0.000) 0.563 7.746 ( -5.007 0.000 0.000) 5.007 9.839 ( 40.628 0.000 0.000) 40.628 9.960 ( 39.574 0.000 0.000) 39.574 10.685 ( 10.726 0.000 0.000) 10.726 10.947 ( 14.167 0.000 0.000) 14.167 11.827 ( 43.206 0.000 0.000) 43.206 11.906 ( -6.691 0.000 0.000) 6.691 12.870 ( -13.590 0.000 0.000) 13.590 12.971 ( -12.445 0.000 0.000) 12.445 13.006 ( -14.478 0.000 0.000) 14.478 13.524 ( 4.341 0.000 0.000) 4.341 13.570 ( 3.648 0.000 0.000) 3.648 13.873 ( 3.309 0.000 0.000) 3.309 14.085 ( -3.734 0.000 0.000) 3.734 14.277 ( -5.985 0.000 0.000) 5.985 14.407 ( -4.048 0.000 0.000) 4.048 14.473 ( -0.789 0.000 0.000) 0.789 16.846 ( 3.480 0.000 0.000) 3.480 16.886 ( 3.961 0.000 0.000) 3.961 17.215 ( -3.578 0.000 0.000) 3.578 17.348 ( -4.870 0.000 0.000) 4.870 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 15.721 0.000 0.000) 15.721 1.163 ( 15.458 0.000 0.000) 15.458 1.346 ( -3.373 0.000 0.000) 3.373 1.416 ( 0.252 0.000 0.000) 0.252 1.507 ( 6.564 0.000 0.000) 6.564 1.572 ( 0.465 0.000 0.000) 0.465 1.615 ( -5.343 0.000 0.000) 5.343 1.701 ( -2.192 0.000 0.000) 2.192 1.709 ( 3.903 0.000 0.000) 3.903 1.853 ( -8.420 0.000 0.000) 8.420 1.862 ( 8.257 0.000 0.000) 8.257 1.888 ( -5.175 0.000 0.000) 5.175 1.979 ( -10.405 0.000 0.000) 10.405 2.072 ( -1.806 0.000 0.000) 1.806 2.114 ( -3.748 0.000 0.000) 3.748 2.161 ( -4.448 0.000 0.000) 4.448 2.187 ( -7.641 0.000 0.000) 7.641 2.212 ( -8.126 0.000 0.000) 8.126 2.558 ( 1.045 0.000 0.000) 1.045 2.565 ( 17.848 0.000 0.000) 17.848 2.666 ( -4.176 0.000 0.000) 4.176 2.711 ( 11.623 0.000 0.000) 11.623 2.809 ( 1.039 0.000 0.000) 1.039 2.883 ( 5.135 0.000 0.000) 5.135 2.901 ( 4.532 0.000 0.000) 4.532 2.980 ( 0.393 0.000 0.000) 0.393 2.980 ( -1.624 0.000 0.000) 1.624 3.061 ( -3.457 0.000 0.000) 3.457 3.121 ( -1.439 0.000 0.000) 1.439 3.166 ( -2.529 0.000 0.000) 2.529 3.371 ( 0.011 0.000 0.000) 0.011 3.423 ( 1.351 0.000 0.000) 1.351 3.695 ( 13.029 0.000 0.000) 13.029 3.874 ( 10.891 0.000 0.000) 10.891 4.236 ( 15.754 0.000 0.000) 15.754 4.256 ( 12.944 0.000 0.000) 12.944 4.334 ( -14.426 0.000 0.000) 14.426 4.362 ( 4.873 0.000 0.000) 4.873 4.420 ( -12.991 0.000 0.000) 12.991 4.556 ( -0.949 0.000 0.000) 0.949 4.830 ( 19.420 0.000 0.000) 19.420 4.928 ( 21.846 0.000 0.000) 21.846 5.566 ( -15.987 0.000 0.000) 15.987 5.598 ( -4.786 0.000 0.000) 4.786 5.679 ( -7.037 0.000 0.000) 7.037 5.764 ( -17.400 0.000 0.000) 17.400 5.895 ( -4.659 0.000 0.000) 4.659 6.026 ( -8.994 0.000 0.000) 8.994 7.121 ( 15.277 0.000 0.000) 15.277 7.374 ( 4.133 0.000 0.000) 4.133 7.490 ( -2.377 0.000 0.000) 2.377 7.613 ( -7.769 0.000 0.000) 7.769 10.667 ( 35.630 0.000 0.000) 35.630 10.740 ( 33.806 0.000 0.000) 33.806 10.919 ( 11.093 0.000 0.000) 11.093 11.222 ( 10.359 0.000 0.000) 10.359 11.786 ( -2.602 0.000 0.000) 2.602 12.497 ( -22.834 0.000 0.000) 22.834 12.685 ( -13.531 0.000 0.000) 13.531 12.693 ( 38.587 0.000 0.000) 38.587 12.703 ( -13.664 0.000 0.000) 13.664 13.573 ( -1.750 0.000 0.000) 1.750 13.667 ( 5.981 0.000 0.000) 5.981 13.899 ( -1.888 0.000 0.000) 1.888 14.002 ( -3.280 0.000 0.000) 3.280 14.108 ( -9.446 0.000 0.000) 9.446 14.364 ( 0.180 0.000 0.000) 0.180 14.447 ( -1.822 0.000 0.000) 1.822 16.930 ( 4.547 0.000 0.000) 4.547 16.984 ( 5.478 0.000 0.000) 5.478 17.129 ( -4.638 0.000 0.000) 4.638 17.234 ( -6.041 0.000 0.000) 6.041 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -13.163 0.000 0.000) 13.163 1.165 ( 13.163 0.000 0.000) 13.163 1.387 ( -4.903 0.000 0.000) 4.903 1.387 ( 4.903 0.000 0.000) 4.903 1.570 ( -0.003 0.000 0.000) 0.003 1.570 ( 0.003 0.000 0.000) 0.003 1.631 ( -5.131 0.000 0.000) 5.131 1.631 ( 5.131 0.000 0.000) 5.131 1.790 ( -4.251 0.000 0.000) 4.251 1.790 ( 4.251 0.000 0.000) 4.251 1.797 ( -4.371 0.000 0.000) 4.371 1.797 ( 4.371 0.000 0.000) 4.371 2.032 ( -7.487 0.000 0.000) 7.487 2.032 ( 7.487 0.000 0.000) 7.487 2.081 ( -2.903 0.000 0.000) 2.903 2.081 ( 2.903 0.000 0.000) 2.903 2.092 ( -2.597 0.000 0.000) 2.597 2.092 ( 2.597 0.000 0.000) 2.597 2.594 ( -2.620 0.000 0.000) 2.620 2.594 ( 2.620 0.000 0.000) 2.620 2.798 ( -3.908 0.000 0.000) 3.908 2.798 ( 3.908 0.000 0.000) 3.908 2.889 ( -7.119 0.000 0.000) 7.119 2.889 ( 7.119 0.000 0.000) 7.119 2.966 ( -1.835 0.000 0.000) 1.835 2.966 ( 1.835 0.000 0.000) 1.835 2.980 ( -4.307 0.000 0.000) 4.307 2.980 ( 4.307 0.000 0.000) 4.307 3.119 ( -1.496 0.000 0.000) 1.496 3.119 ( 1.496 0.000 0.000) 1.496 3.410 ( -2.278 0.000 0.000) 2.278 3.410 ( 2.278 0.000 0.000) 2.278 4.007 ( -16.547 0.000 0.000) 16.547 4.007 ( 16.547 0.000 0.000) 16.547 4.137 ( -13.941 0.000 0.000) 13.941 4.137 ( 13.941 0.000 0.000) 13.941 4.406 ( -1.946 0.000 0.000) 1.946 4.406 ( 1.946 0.000 0.000) 1.946 4.480 ( -7.220 0.000 0.000) 7.220 4.480 ( 7.220 0.000 0.000) 7.220 5.216 ( -17.925 0.000 0.000) 17.925 5.216 ( 17.925 0.000 0.000) 17.925 5.369 ( -20.646 0.000 0.000) 20.646 5.369 ( 20.646 0.000 0.000) 20.646 5.571 ( -2.493 0.000 0.000) 2.493 5.571 ( 2.493 0.000 0.000) 2.493 5.885 ( -3.744 0.000 0.000) 3.744 5.885 ( 3.744 0.000 0.000) 3.744 7.385 ( -9.758 0.000 0.000) 9.758 7.385 ( 9.758 0.000 0.000) 9.758 7.461 ( -5.044 0.000 0.000) 5.044 7.461 ( 5.044 0.000 0.000) 5.044 11.066 ( -0.878 0.000 0.000) 0.878 11.066 ( 0.878 0.000 0.000) 0.878 11.238 ( -12.014 0.000 0.000) 12.014 11.238 ( 12.014 0.000 0.000) 12.014 11.985 ( -22.898 0.000 0.000) 22.898 11.985 ( 22.898 0.000 0.000) 22.898 12.527 ( -0.861 0.000 0.000) 0.861 12.527 ( 0.861 0.000 0.000) 0.861 13.340 ( -22.518 0.000 0.000) 22.518 13.340 ( 22.518 0.000 0.000) 22.518 13.799 ( -6.429 0.000 0.000) 6.429 13.799 ( 6.429 0.000 0.000) 6.429 13.981 ( -1.695 0.000 0.000) 1.695 13.981 ( 1.695 0.000 0.000) 1.695 14.399 ( -2.542 0.000 0.000) 2.542 14.399 ( 2.542 0.000 0.000) 2.542 17.029 ( -4.966 0.000 0.000) 4.966 17.029 ( 4.966 0.000 0.000) 4.966 17.106 ( -6.215 0.000 0.000) 6.215 17.106 ( 6.215 0.000 0.000) 6.215 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.253 ( 0.000 13.929 0.000) 13.929 0.265 ( 0.000 14.886 0.000) 14.886 0.627 ( 0.000 32.429 0.000) 32.429 1.024 ( 0.000 -10.974 0.000) 10.974 1.098 ( 0.000 -12.084 0.000) 12.084 1.432 ( 0.000 7.055 0.000) 7.055 1.445 ( 0.000 10.399 0.000) 10.399 1.678 ( 0.000 12.584 0.000) 12.584 1.863 ( 0.000 -1.465 0.000) 1.465 1.889 ( 0.000 -4.341 0.000) 4.341 2.042 ( 0.000 -0.789 0.000) 0.789 2.110 ( 0.000 6.351 0.000) 6.351 2.135 ( 0.000 -0.643 0.000) 0.643 2.226 ( 0.000 -7.039 0.000) 7.039 2.292 ( 0.000 -0.160 0.000) 0.160 2.371 ( 0.000 -2.998 0.000) 2.998 2.372 ( 0.000 3.356 0.000) 3.356 2.420 ( 0.000 -0.220 0.000) 0.220 2.424 ( 0.000 -3.334 0.000) 3.334 2.478 ( 0.000 -1.774 0.000) 1.774 2.496 ( 0.000 -3.421 0.000) 3.421 2.559 ( 0.000 -1.626 0.000) 1.626 2.677 ( 0.000 -4.317 0.000) 4.317 2.767 ( 0.000 4.861 0.000) 4.861 2.868 ( 0.000 2.820 0.000) 2.820 2.965 ( 0.000 -16.173 0.000) 16.173 2.972 ( 0.000 0.201 0.000) 0.201 3.014 ( 0.000 -0.207 0.000) 0.207 3.028 ( 0.000 -1.462 0.000) 1.462 3.172 ( 0.000 -3.371 0.000) 3.371 3.293 ( 0.000 2.489 0.000) 2.489 3.379 ( 0.000 -0.825 0.000) 0.825 3.538 ( 0.000 4.366 0.000) 4.366 3.615 ( 0.000 0.444 0.000) 0.444 3.721 ( 0.000 2.697 0.000) 2.697 3.769 ( 0.000 0.318 0.000) 0.318 3.821 ( 0.000 3.338 0.000) 3.338 3.897 ( 0.000 -1.297 0.000) 1.297 4.194 ( 0.000 4.749 0.000) 4.749 4.502 ( 0.000 -3.139 0.000) 3.139 4.807 ( 0.000 0.168 0.000) 0.168 4.817 ( 0.000 -0.070 0.000) 0.070 6.010 ( 0.000 3.360 0.000) 3.360 6.085 ( 0.000 0.604 0.000) 0.604 6.159 ( 0.000 -1.102 0.000) 1.102 6.259 ( 0.000 0.149 0.000) 0.149 6.268 ( 0.000 -0.280 0.000) 0.280 6.348 ( 0.000 -5.132 0.000) 5.132 6.435 ( 0.000 3.018 0.000) 3.018 6.643 ( 0.000 -2.296 0.000) 2.296 7.556 ( 0.000 4.110 0.000) 4.110 7.817 ( 0.000 -2.725 0.000) 2.725 8.865 ( 0.000 0.082 0.000) 0.082 8.870 ( 0.000 -0.037 0.000) 0.037 10.453 ( 0.000 1.751 0.000) 1.751 10.586 ( 0.000 -1.579 0.000) 1.579 10.715 ( 0.000 0.145 0.000) 0.145 10.728 ( 0.000 -0.166 0.000) 0.166 13.149 ( 0.000 0.922 0.000) 0.922 13.216 ( 0.000 -0.742 0.000) 0.742 13.388 ( 0.000 3.383 0.000) 3.383 13.424 ( 0.000 0.624 0.000) 0.624 13.476 ( 0.000 -0.664 0.000) 0.664 13.745 ( 0.000 -6.879 0.000) 6.879 14.222 ( 0.000 5.367 0.000) 5.367 14.381 ( 0.000 1.119 0.000) 1.119 14.458 ( 0.000 -1.875 0.000) 1.875 14.475 ( 0.000 -1.222 0.000) 1.222 16.773 ( 0.000 0.290 0.000) 0.290 16.800 ( 0.000 -0.391 0.000) 0.391 17.306 ( 0.000 1.443 0.000) 1.443 17.424 ( 0.000 -1.499 0.000) 1.499 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 16.222 7.660 0.000) 17.940 0.613 ( 8.254 23.442 0.000) 24.852 0.911 ( 30.128 9.516 0.000) 31.595 1.149 ( 4.782 -11.068 0.000) 12.057 1.224 ( 15.110 -7.616 0.000) 16.921 1.424 ( -0.563 6.924 0.000) 6.947 1.573 ( 10.930 7.039 0.000) 13.001 1.674 ( 0.356 11.260 0.000) 11.266 1.844 ( -2.095 1.601 0.000) 2.637 1.852 ( -3.382 -2.805 0.000) 4.394 2.002 ( -3.211 -0.783 0.000) 3.305 2.079 ( -2.713 -4.989 0.000) 5.679 2.093 ( -1.777 5.371 0.000) 5.657 2.181 ( -2.870 -5.893 0.000) 6.555 2.278 ( -1.526 -0.374 0.000) 1.572 2.316 ( -7.717 1.195 0.000) 7.809 2.365 ( -3.402 3.496 0.000) 4.878 2.412 ( 1.557 -4.104 0.000) 4.389 2.454 ( -3.296 -4.542 0.000) 5.612 2.470 ( 2.898 -0.612 0.000) 2.962 2.526 ( -8.008 -1.735 0.000) 8.193 2.583 ( 7.617 -2.584 0.000) 8.043 2.614 ( 2.700 -0.796 0.000) 2.815 2.791 ( -1.577 -0.614 0.000) 1.693 2.847 ( -0.679 0.252 0.000) 0.724 2.935 ( -0.206 -14.148 0.000) 14.150 2.941 ( -1.904 1.016 0.000) 2.158 3.032 ( 1.132 1.887 0.000) 2.200 3.084 ( 3.692 -1.199 0.000) 3.882 3.227 ( 4.770 -2.920 0.000) 5.593 3.351 ( 2.496 8.633 0.000) 8.986 3.482 ( -1.167 1.839 0.000) 2.178 3.500 ( 2.572 1.000 0.000) 2.759 3.542 ( 9.253 -0.970 0.000) 9.304 3.627 ( -0.068 4.227 0.000) 4.227 3.697 ( -1.372 2.252 0.000) 2.637 4.066 ( 16.393 0.183 0.000) 16.394 4.103 ( 15.794 -0.782 0.000) 15.813 4.220 ( 2.500 4.718 0.000) 5.339 4.511 ( 0.838 -2.783 0.000) 2.906 4.749 ( -5.274 0.422 0.000) 5.291 4.779 ( -4.077 -0.319 0.000) 4.089 5.940 ( -7.023 6.303 0.000) 9.437 5.967 ( -4.127 3.098 0.000) 5.161 6.136 ( -9.252 1.520 0.000) 9.376 6.232 ( -5.641 -2.149 0.000) 6.037 6.237 ( -4.600 -3.643 0.000) 5.868 6.307 ( -4.064 -4.178 0.000) 5.828 6.439 ( 11.362 6.062 0.000) 12.879 7.039 ( 11.916 -15.678 0.000) 19.692 7.556 ( -0.168 3.644 0.000) 3.648 7.796 ( -2.151 -2.594 0.000) 3.370 9.148 ( 26.280 1.760 0.000) 26.339 9.218 ( 29.341 -0.116 0.000) 29.342 10.523 ( 6.641 2.073 0.000) 6.957 10.681 ( 8.831 -1.862 0.000) 9.025 11.056 ( 31.001 2.010 0.000) 31.066 11.653 ( 31.536 -26.959 0.000) 41.489 13.083 ( -6.408 0.977 0.000) 6.482 13.155 ( -6.049 -0.804 0.000) 6.102 13.289 ( -9.068 3.375 0.000) 9.676 13.453 ( 2.730 0.603 0.000) 2.796 13.501 ( 2.380 -0.608 0.000) 2.456 13.695 ( -0.473 -9.401 0.000) 9.413 14.168 ( -3.139 3.802 0.000) 4.930 14.366 ( -1.738 1.246 0.000) 2.138 14.436 ( -3.365 -4.360 0.000) 5.507 14.470 ( -0.485 -1.371 0.000) 1.454 16.793 ( 1.911 0.298 0.000) 1.934 16.820 ( 1.998 -0.398 0.000) 2.037 17.285 ( -1.999 1.373 0.000) 2.425 17.406 ( -2.262 -1.943 0.000) 2.982 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 9.298 21.045 0.000) 23.007 0.837 ( 17.330 3.499 0.000) 17.679 1.280 ( 7.365 -8.815 0.000) 11.487 1.366 ( 10.369 2.735 0.000) 10.724 1.419 ( 0.217 6.471 0.000) 6.475 1.505 ( 10.769 -3.981 0.000) 11.481 1.656 ( -1.288 6.726 0.000) 6.849 1.743 ( 1.507 1.426 0.000) 2.075 1.756 ( -5.767 -0.577 0.000) 5.796 1.817 ( 1.271 5.814 0.000) 5.951 2.033 ( -4.059 4.434 0.000) 6.012 2.041 ( -2.337 -8.645 0.000) 8.955 2.091 ( -11.998 1.632 0.000) 12.108 2.106 ( 9.131 0.673 0.000) 9.156 2.159 ( -0.554 0.089 0.000) 0.561 2.226 ( 2.171 0.016 0.000) 2.171 2.300 ( -3.881 5.447 0.000) 6.689 2.331 ( -8.888 -2.494 0.000) 9.231 2.359 ( -6.693 -3.294 0.000) 7.460 2.476 ( 6.428 -4.732 0.000) 7.982 2.514 ( 3.452 2.545 0.000) 4.289 2.678 ( -1.367 -4.687 0.000) 4.883 2.730 ( 6.241 -5.440 0.000) 8.279 2.737 ( 1.101 -1.590 0.000) 1.934 2.828 ( -1.506 -2.825 0.000) 3.201 2.926 ( 0.568 2.166 0.000) 2.239 2.940 ( 0.191 -12.776 0.000) 12.778 3.072 ( 2.531 3.720 0.000) 4.499 3.126 ( 0.256 -0.477 0.000) 0.541 3.333 ( 4.694 -2.542 0.000) 5.338 3.338 ( -3.178 7.964 0.000) 8.574 3.447 ( -4.853 1.654 0.000) 5.127 3.510 ( 6.109 2.107 0.000) 6.462 3.686 ( 5.604 -2.111 0.000) 5.989 3.871 ( 19.035 1.865 0.000) 19.126 3.929 ( 17.863 0.078 0.000) 17.863 4.296 ( 4.671 4.347 0.000) 6.381 4.437 ( 19.302 0.839 0.000) 19.320 4.485 ( 20.405 -0.313 0.000) 20.407 4.533 ( 0.791 -1.993 0.000) 2.144 4.595 ( -9.440 0.781 0.000) 9.472 4.645 ( -8.911 -0.514 0.000) 8.926 5.781 ( -8.109 4.771 0.000) 9.409 5.839 ( -8.822 1.604 0.000) 8.967 5.909 ( -11.604 3.499 0.000) 12.120 6.041 ( -10.182 -1.801 0.000) 10.340 6.045 ( -12.232 -2.828 0.000) 12.555 6.180 ( -8.065 -3.502 0.000) 8.792 6.793 ( 18.201 3.250 0.000) 18.489 7.210 ( 6.612 -7.995 0.000) 10.375 7.542 ( -1.268 2.439 0.000) 2.749 7.725 ( -4.784 -2.202 0.000) 5.267 9.858 ( 40.202 1.883 0.000) 40.246 9.956 ( 39.431 -0.557 0.000) 39.435 10.712 ( 11.093 2.816 0.000) 11.445 10.924 ( 13.870 -2.507 0.000) 14.095 11.834 ( 39.050 0.870 0.000) 39.060 11.904 ( 1.500 -0.365 0.000) 1.544 12.881 ( -13.508 1.078 0.000) 13.551 12.962 ( -12.586 -0.944 0.000) 12.621 13.056 ( -11.944 5.546 0.000) 13.168 13.530 ( 4.388 0.571 0.000) 4.425 13.567 ( 3.809 -0.369 0.000) 3.827 13.758 ( 5.193 -12.486 0.000) 13.523 14.099 ( -3.772 2.064 0.000) 4.300 14.294 ( -5.584 1.822 0.000) 5.873 14.344 ( -4.553 -5.384 0.000) 7.051 14.453 ( -1.362 -2.117 0.000) 2.517 16.849 ( 3.526 0.356 0.000) 3.544 16.882 ( 3.916 -0.453 0.000) 3.942 17.226 ( -3.668 1.204 0.000) 3.861 17.333 ( -4.647 -1.544 0.000) 4.896 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 11.390 13.218 0.000) 17.449 1.169 ( 13.782 1.027 0.000) 13.821 1.381 ( -0.637 0.523 0.000) 0.824 1.441 ( 0.204 2.906 0.000) 2.913 1.469 ( 6.401 -0.459 0.000) 6.417 1.589 ( -1.316 -3.123 0.000) 3.389 1.638 ( -4.282 1.546 0.000) 4.552 1.683 ( 3.104 4.836 0.000) 5.747 1.765 ( 1.939 2.409 0.000) 3.092 1.870 ( -8.556 2.462 0.000) 8.903 1.895 ( 4.550 3.415 0.000) 5.689 1.935 ( -4.941 4.483 0.000) 6.672 1.970 ( -6.091 -0.764 0.000) 6.139 2.028 ( -3.305 -3.120 0.000) 4.545 2.098 ( -3.111 -2.658 0.000) 4.092 2.153 ( -7.648 -3.349 0.000) 8.349 2.178 ( -8.036 0.332 0.000) 8.043 2.237 ( -5.003 3.507 0.000) 6.109 2.516 ( 1.024 -2.300 0.000) 2.517 2.541 ( 14.582 -2.729 0.000) 14.835 2.601 ( -3.587 -6.075 0.000) 7.055 2.757 ( 12.566 3.104 0.000) 12.944 2.767 ( -1.135 -4.560 0.000) 4.699 2.831 ( 2.488 -4.959 0.000) 5.548 2.841 ( 4.529 -7.287 0.000) 8.580 2.948 ( 1.252 -6.168 0.000) 6.293 2.949 ( 1.231 3.155 0.000) 3.387 3.097 ( -3.015 1.079 0.000) 3.202 3.125 ( 2.564 4.678 0.000) 5.335 3.259 ( -4.010 5.845 0.000) 7.089 3.377 ( -1.226 0.483 0.000) 1.317 3.398 ( 1.399 -2.579 0.000) 2.934 3.711 ( 12.743 1.760 0.000) 12.864 3.858 ( 11.003 -1.732 0.000) 11.139 4.248 ( 15.796 1.144 0.000) 15.837 4.264 ( 13.312 0.684 0.000) 13.329 4.336 ( -13.115 0.496 0.000) 13.124 4.385 ( -3.730 0.926 0.000) 3.843 4.427 ( -6.120 1.825 0.000) 6.386 4.554 ( -0.525 -0.350 0.000) 0.631 4.841 ( 19.483 1.098 0.000) 19.514 4.920 ( 21.434 -0.875 0.000) 21.452 5.574 ( -15.574 1.144 0.000) 15.616 5.636 ( -5.074 3.910 0.000) 6.406 5.711 ( -9.521 2.066 0.000) 9.743 5.745 ( -15.185 -0.766 0.000) 15.204 5.877 ( -4.923 -2.017 0.000) 5.320 5.998 ( -8.773 -3.071 0.000) 9.295 7.132 ( 14.524 1.336 0.000) 14.586 7.334 ( 5.586 -3.968 0.000) 6.852 7.498 ( -3.128 0.891 0.000) 3.252 7.598 ( -7.483 -1.579 0.000) 7.648 10.676 ( 35.269 0.889 0.000) 35.280 10.735 ( 33.765 -0.556 0.000) 33.770 10.951 ( 11.156 3.376 0.000) 11.656 11.196 ( 10.553 -2.793 0.000) 10.916 11.849 ( -1.693 6.622 0.000) 6.835 12.449 ( 9.283 -12.922 0.000) 15.911 12.514 ( -22.166 1.769 0.000) 22.237 12.665 ( -14.734 -2.080 0.000) 14.880 12.984 ( 14.162 16.860 0.000) 22.019 13.590 ( -0.283 1.660 0.000) 1.684 13.664 ( 5.722 -0.390 0.000) 5.735 13.838 ( 0.999 -7.032 0.000) 7.102 14.019 ( -3.317 1.848 0.000) 3.797 14.134 ( -9.279 2.792 0.000) 9.690 14.289 ( -0.057 -7.075 0.000) 7.075 14.409 ( -2.924 -3.930 0.000) 4.899 16.934 ( 4.635 0.503 0.000) 4.662 16.978 ( 5.387 -0.603 0.000) 5.420 17.138 ( -4.750 0.973 0.000) 4.849 17.223 ( -5.872 -1.163 0.000) 5.986 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -8.915 4.982 0.000) 10.212 1.218 ( 8.915 4.982 0.000) 10.212 1.413 ( -3.802 2.290 0.000) 4.438 1.413 ( 3.802 2.290 0.000) 4.438 1.565 ( -1.750 -1.278 0.000) 2.167 1.565 ( 1.750 -1.278 0.000) 2.167 1.654 ( -4.557 3.621 0.000) 5.821 1.654 ( 4.557 3.621 0.000) 5.821 1.790 ( -1.579 0.600 0.000) 1.690 1.790 ( 1.579 0.600 0.000) 1.690 1.852 ( -2.230 4.859 0.000) 5.346 1.852 ( 2.230 4.859 0.000) 5.346 2.010 ( -6.081 -2.784 0.000) 6.688 2.010 ( 6.081 -2.784 0.000) 6.688 2.049 ( -3.438 -1.255 0.000) 3.660 2.049 ( 3.438 -1.255 0.000) 3.660 2.128 ( -5.255 1.978 0.000) 5.615 2.128 ( 5.255 1.978 0.000) 5.615 2.545 ( -1.940 -4.161 0.000) 4.591 2.545 ( 1.940 -4.161 0.000) 4.591 2.717 ( -4.033 -7.528 0.000) 8.540 2.717 ( 4.033 -7.528 0.000) 8.540 2.874 ( -0.941 -5.689 0.000) 5.766 2.874 ( 0.941 -5.689 0.000) 5.766 2.937 ( -4.137 2.170 0.000) 4.672 2.937 ( 4.137 2.170 0.000) 4.672 3.011 ( -4.329 2.518 0.000) 5.008 3.011 ( 4.329 2.518 0.000) 5.008 3.183 ( -3.235 4.959 0.000) 5.921 3.183 ( 3.235 4.959 0.000) 5.921 3.392 ( -1.560 -1.919 0.000) 2.473 3.392 ( 1.560 -1.919 0.000) 2.473 4.017 ( -16.241 1.120 0.000) 16.280 4.017 ( 16.241 1.120 0.000) 16.280 4.122 ( -14.037 -1.456 0.000) 14.112 4.122 ( 14.037 -1.456 0.000) 14.112 4.431 ( -2.778 2.377 0.000) 3.656 4.431 ( 2.778 2.377 0.000) 3.656 4.486 ( -6.945 0.529 0.000) 6.965 4.486 ( 6.945 0.529 0.000) 6.965 5.228 ( -17.945 1.240 0.000) 17.988 5.228 ( 17.945 1.240 0.000) 17.988 5.351 ( -20.129 -1.858 0.000) 20.215 5.351 ( 20.129 -1.858 0.000) 20.215 5.606 ( -2.518 3.628 0.000) 4.417 5.606 ( 2.518 3.628 0.000) 4.417 5.861 ( -3.479 -2.599 0.000) 4.343 5.861 ( 3.479 -2.599 0.000) 4.343 7.385 ( -9.496 0.048 0.000) 9.496 7.385 ( 9.496 0.048 0.000) 9.496 7.445 ( -5.767 -1.621 0.000) 5.991 7.445 ( 5.767 -1.621 0.000) 5.991 11.088 ( -2.144 2.215 0.000) 3.083 11.088 ( 2.144 2.215 0.000) 3.083 11.225 ( -11.169 -1.345 0.000) 11.249 11.225 ( 11.169 -1.345 0.000) 11.249 12.028 ( -20.877 4.659 0.000) 21.391 12.028 ( 20.877 4.659 0.000) 21.391 12.458 ( -2.787 -6.811 0.000) 7.359 12.458 ( 2.787 -6.811 0.000) 7.359 13.420 ( -17.926 7.892 0.000) 19.586 13.420 ( 17.926 7.892 0.000) 19.586 13.783 ( -5.266 -1.916 0.000) 5.604 13.783 ( 5.266 -1.916 0.000) 5.604 13.997 ( -2.181 1.955 0.000) 2.929 13.997 ( 2.181 1.955 0.000) 2.929 14.337 ( -3.726 -6.463 0.000) 7.460 14.337 ( 3.726 -6.463 0.000) 7.460 17.035 ( -5.077 0.724 0.000) 5.128 17.035 ( 5.077 0.724 0.000) 5.128 17.098 ( -6.084 -0.844 0.000) 6.142 17.098 ( 6.084 -0.844 0.000) 6.142 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.000 13.817 0.000) 13.817 0.546 ( 0.000 15.853 0.000) 15.853 0.752 ( 0.000 -12.489 0.000) 12.489 0.837 ( 0.000 -15.650 0.000) 15.650 1.262 ( 0.000 30.280 0.000) 30.280 1.591 ( 0.000 9.739 0.000) 9.739 1.617 ( 0.000 8.364 0.000) 8.364 1.737 ( 0.000 -7.683 0.000) 7.683 1.766 ( 0.000 -8.771 0.000) 8.771 1.768 ( 0.000 -18.795 0.000) 18.795 2.067 ( 0.000 7.414 0.000) 7.414 2.117 ( 0.000 -1.281 0.000) 1.281 2.167 ( 0.000 8.019 0.000) 8.019 2.239 ( 0.000 7.276 0.000) 7.276 2.284 ( 0.000 -1.199 0.000) 1.199 2.340 ( 0.000 1.161 0.000) 1.161 2.367 ( 0.000 -6.305 0.000) 6.305 2.430 ( 0.000 -4.024 0.000) 4.024 2.439 ( 0.000 3.124 0.000) 3.124 2.449 ( 0.000 4.642 0.000) 4.642 2.489 ( 0.000 3.909 0.000) 3.909 2.524 ( 0.000 -2.952 0.000) 2.952 2.584 ( 0.000 -5.602 0.000) 5.602 2.626 ( 0.000 -18.727 0.000) 18.727 2.851 ( 0.000 4.100 0.000) 4.100 2.900 ( 0.000 -0.440 0.000) 0.440 2.981 ( 0.000 0.701 0.000) 0.701 2.997 ( 0.000 -1.175 0.000) 1.175 3.029 ( 0.000 2.085 0.000) 2.085 3.096 ( 0.000 -4.500 0.000) 4.500 3.329 ( 0.000 1.694 0.000) 1.694 3.358 ( 0.000 -1.406 0.000) 1.406 3.601 ( 0.000 2.231 0.000) 2.231 3.621 ( 0.000 -0.141 0.000) 0.141 3.775 ( 0.000 2.048 0.000) 2.048 3.780 ( 0.000 0.763 0.000) 0.763 3.863 ( 0.000 0.943 0.000) 0.943 3.872 ( 0.000 -0.919 0.000) 0.919 4.303 ( 0.000 6.644 0.000) 6.644 4.420 ( 0.000 -5.718 0.000) 5.718 4.811 ( 0.000 0.228 0.000) 0.228 4.815 ( 0.000 -0.167 0.000) 0.167 6.098 ( 0.000 6.151 0.000) 6.151 6.103 ( 0.000 1.374 0.000) 1.374 6.132 ( 0.000 -1.650 0.000) 1.650 6.222 ( 0.000 -6.763 0.000) 6.763 6.263 ( 0.000 0.268 0.000) 0.268 6.270 ( 0.000 -0.750 0.000) 0.750 6.506 ( 0.000 4.383 0.000) 4.383 6.584 ( 0.000 -3.967 0.000) 3.967 7.649 ( 0.000 5.600 0.000) 5.600 7.747 ( 0.000 -4.820 0.000) 4.820 8.867 ( 0.000 0.110 0.000) 0.110 8.869 ( 0.000 -0.083 0.000) 0.083 10.496 ( 0.000 2.740 0.000) 2.740 10.547 ( 0.000 -2.634 0.000) 2.634 10.719 ( 0.000 0.245 0.000) 0.245 10.724 ( 0.000 -0.258 0.000) 0.258 13.171 ( 0.000 1.407 0.000) 1.407 13.197 ( 0.000 -1.296 0.000) 1.296 13.440 ( 0.000 1.033 0.000) 1.033 13.459 ( 0.000 -1.059 0.000) 1.059 13.477 ( 0.000 6.175 0.000) 6.175 13.607 ( 0.000 -7.738 0.000) 7.738 14.324 ( 0.000 5.292 0.000) 5.292 14.407 ( 0.000 -3.732 0.000) 3.732 14.409 ( 0.000 1.870 0.000) 1.870 14.445 ( 0.000 -1.933 0.000) 1.933 16.780 ( 0.000 0.518 0.000) 0.518 16.791 ( 0.000 -0.580 0.000) 0.580 17.342 ( 0.000 2.364 0.000) 2.364 17.387 ( 0.000 -2.399 0.000) 2.399 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 10.786 12.308 0.000) 16.366 0.882 ( 22.512 9.139 0.000) 24.296 0.914 ( 7.003 -13.811 0.000) 15.485 1.033 ( 20.374 -6.889 0.000) 21.508 1.318 ( 6.372 24.470 0.000) 25.286 1.582 ( -0.732 9.674 0.000) 9.701 1.672 ( 3.183 -0.074 0.000) 3.184 1.751 ( -1.517 -8.041 0.000) 8.183 1.768 ( 1.788 -0.998 0.000) 2.047 1.793 ( 3.713 -14.505 0.000) 14.972 1.998 ( -3.382 4.077 0.000) 5.297 2.047 ( -2.902 -1.375 0.000) 3.212 2.131 ( -1.235 8.769 0.000) 8.856 2.207 ( -2.878 6.681 0.000) 7.275 2.261 ( -2.099 -2.239 0.000) 3.069 2.323 ( -4.660 -4.938 0.000) 6.790 2.373 ( 0.668 1.926 0.000) 2.038 2.382 ( -6.535 3.085 0.000) 7.227 2.455 ( -5.483 -0.945 0.000) 5.564 2.482 ( -3.459 1.928 0.000) 3.960 2.501 ( 3.398 -3.011 0.000) 4.540 2.511 ( 5.009 -0.461 0.000) 5.030 2.568 ( 1.571 -4.220 0.000) 4.503 2.646 ( 2.667 -14.325 0.000) 14.571 2.800 ( -3.877 1.445 0.000) 4.138 2.831 ( -4.128 -1.613 0.000) 4.432 2.979 ( -0.091 2.839 0.000) 2.841 3.030 ( 1.146 -2.355 0.000) 2.619 3.097 ( 5.092 2.982 0.000) 5.901 3.162 ( 5.478 -3.806 0.000) 6.670 3.443 ( 8.488 2.885 0.000) 8.965 3.487 ( 8.661 -1.998 0.000) 8.889 3.528 ( -2.482 2.157 0.000) 3.288 3.545 ( -0.249 0.291 0.000) 0.383 3.699 ( -2.531 3.171 0.000) 4.057 3.727 ( -3.320 0.297 0.000) 3.333 4.074 ( 16.949 0.731 0.000) 16.965 4.089 ( 16.610 -0.792 0.000) 16.629 4.326 ( 2.223 6.390 0.000) 6.766 4.436 ( 1.567 -5.272 0.000) 5.500 4.759 ( -4.898 0.634 0.000) 4.939 4.771 ( -4.440 -0.571 0.000) 4.477 6.048 ( -4.904 5.619 0.000) 7.458 6.059 ( -6.224 6.183 0.000) 8.773 6.154 ( -6.779 -4.305 0.000) 8.031 6.160 ( -4.244 -4.851 0.000) 6.446 6.180 ( -6.568 1.182 0.000) 6.674 6.231 ( -4.555 -3.495 0.000) 5.741 6.576 ( 11.303 8.927 0.000) 14.404 6.771 ( 13.959 -12.684 0.000) 18.861 7.639 ( -1.050 5.103 0.000) 5.210 7.729 ( -1.766 -4.506 0.000) 4.840 9.180 ( 27.830 1.702 0.000) 27.882 9.207 ( 28.952 -1.137 0.000) 28.975 10.574 ( 7.348 3.239 0.000) 8.030 10.634 ( 8.183 -3.109 0.000) 8.753 11.122 ( 34.409 5.660 0.000) 34.871 11.286 ( 39.325 -13.301 0.000) 41.513 13.107 ( -6.303 1.502 0.000) 6.479 13.134 ( -6.164 -1.395 0.000) 6.320 13.380 ( -8.409 6.525 0.000) 10.644 13.468 ( 2.659 0.974 0.000) 2.832 13.486 ( 2.523 -0.978 0.000) 2.706 13.522 ( -6.047 -8.880 0.000) 10.743 14.261 ( -4.774 5.552 0.000) 7.322 14.356 ( -4.563 -4.729 0.000) 6.571 14.397 ( -1.376 2.085 0.000) 2.498 14.437 ( -0.898 -2.162 0.000) 2.341 16.800 ( 1.938 0.531 0.000) 2.010 16.811 ( 1.971 -0.592 0.000) 2.058 17.320 ( -2.130 2.318 0.000) 3.148 17.365 ( -2.209 -2.484 0.000) 3.325 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 14.084 7.405 0.000) 15.912 1.099 ( 10.321 -10.020 0.000) 14.385 1.161 ( 6.713 17.815 0.000) 19.038 1.381 ( 10.950 -7.289 0.000) 13.154 1.486 ( 6.049 9.393 0.000) 11.172 1.565 ( -0.913 8.536 0.000) 8.584 1.700 ( 1.722 -6.997 0.000) 7.205 1.700 ( -3.324 -5.653 0.000) 6.558 1.749 ( -2.239 2.229 0.000) 3.160 1.830 ( -0.402 -9.014 0.000) 9.023 2.037 ( 0.550 11.547 0.000) 11.560 2.118 ( 2.193 -0.088 0.000) 2.195 2.127 ( -4.852 5.395 0.000) 7.256 2.148 ( -10.188 3.690 0.000) 10.836 2.167 ( 3.327 2.410 0.000) 4.108 2.229 ( 5.533 -0.587 0.000) 5.564 2.265 ( -9.266 -3.864 0.000) 10.039 2.273 ( -5.684 -5.216 0.000) 7.715 2.402 ( 6.458 -0.678 0.000) 6.493 2.429 ( -3.582 7.725 0.000) 8.515 2.530 ( 1.726 -9.696 0.000) 9.848 2.567 ( -3.324 -7.043 0.000) 7.788 2.619 ( 6.135 2.276 0.000) 6.544 2.731 ( -1.052 0.818 0.000) 1.333 2.733 ( 5.136 -8.538 0.000) 9.964 2.766 ( -2.643 -2.903 0.000) 3.926 2.988 ( 1.057 3.679 0.000) 3.828 3.052 ( 1.083 -3.248 0.000) 3.423 3.189 ( 3.482 4.862 0.000) 5.980 3.272 ( 4.466 -4.053 0.000) 6.031 3.448 ( -5.349 3.570 0.000) 6.431 3.472 ( -4.995 0.514 0.000) 5.021 3.564 ( 6.575 3.742 0.000) 7.565 3.634 ( 5.873 -3.508 0.000) 6.841 3.904 ( 18.116 1.538 0.000) 18.181 3.924 ( 17.751 -0.647 0.000) 17.763 4.390 ( 3.623 5.414 0.000) 6.515 4.457 ( 19.717 1.147 0.000) 19.751 4.475 ( 20.131 -0.772 0.000) 20.145 4.478 ( 2.029 -3.997 0.000) 4.483 4.612 ( -9.167 1.070 0.000) 9.230 4.631 ( -8.962 -0.953 0.000) 9.013 5.886 ( -9.136 6.103 0.000) 10.987 5.889 ( -10.825 3.768 0.000) 11.462 5.960 ( -11.631 -2.301 0.000) 11.856 5.985 ( -9.792 -4.377 0.000) 10.725 6.006 ( -9.751 3.035 0.000) 10.213 6.096 ( -8.091 -5.252 0.000) 9.647 6.885 ( 15.567 6.890 0.000) 17.024 7.039 ( 11.568 -9.598 0.000) 15.031 7.601 ( -2.748 3.745 0.000) 4.645 7.670 ( -4.045 -3.607 0.000) 5.419 9.898 ( 39.600 2.342 0.000) 39.669 9.936 ( 39.334 -1.633 0.000) 39.368 10.780 ( 12.010 4.380 0.000) 12.784 10.861 ( 13.066 -4.191 0.000) 13.722 11.859 ( 30.017 1.708 0.000) 30.066 11.889 ( 16.849 -1.357 0.000) 16.904 12.907 ( -13.268 1.686 0.000) 13.375 12.938 ( -12.918 -1.603 0.000) 13.017 13.212 ( -4.816 11.654 0.000) 12.610 13.475 ( 3.383 -16.398 0.000) 16.743 13.543 ( 4.381 0.807 0.000) 4.455 13.557 ( 4.148 -0.683 0.000) 4.204 14.160 ( -4.833 4.311 0.000) 6.477 14.247 ( -5.404 -5.090 0.000) 7.424 14.341 ( -4.423 3.114 0.000) 5.409 14.401 ( -2.800 -3.295 0.000) 4.324 16.858 ( 3.647 0.624 0.000) 3.700 16.871 ( 3.796 -0.684 0.000) 3.857 17.256 ( -3.926 2.061 0.000) 4.434 17.297 ( -4.272 -2.234 0.000) 4.821 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 11.362 3.786 0.000) 11.976 1.258 ( 3.540 13.315 0.000) 13.778 1.303 ( 8.186 -5.839 0.000) 10.054 1.442 ( -1.800 -6.502 0.000) 6.747 1.551 ( 0.300 5.912 0.000) 5.920 1.591 ( 4.339 8.170 0.000) 9.250 1.633 ( -1.964 -2.542 0.000) 3.212 1.762 ( 3.945 1.082 0.000) 4.091 1.783 ( 3.786 -1.693 0.000) 4.147 1.811 ( -1.780 -8.367 0.000) 8.555 1.951 ( -8.200 5.900 0.000) 10.102 2.005 ( -5.866 0.370 0.000) 5.877 2.027 ( -2.470 -1.371 0.000) 2.825 2.031 ( -4.185 3.677 0.000) 5.571 2.076 ( -8.521 -3.012 0.000) 9.037 2.130 ( -0.438 13.493 0.000) 13.500 2.146 ( -7.114 -3.878 0.000) 8.102 2.335 ( -5.492 6.495 0.000) 8.506 2.392 ( 2.074 -12.102 0.000) 12.278 2.468 ( -4.494 -7.872 0.000) 9.064 2.554 ( 6.405 3.943 0.000) 7.521 2.664 ( 6.848 -8.314 0.000) 10.771 2.707 ( -2.568 -0.606 0.000) 2.639 2.746 ( 0.654 -4.105 0.000) 4.157 2.820 ( 12.291 2.760 0.000) 12.597 2.872 ( 9.020 -3.140 0.000) 9.551 3.016 ( 1.188 3.499 0.000) 3.695 3.069 ( 0.219 -2.341 0.000) 2.351 3.238 ( 1.500 5.893 0.000) 6.081 3.333 ( 1.472 -4.438 0.000) 4.676 3.344 ( -4.496 3.273 0.000) 5.561 3.379 ( -3.384 -0.636 0.000) 3.443 3.757 ( 12.055 3.050 0.000) 12.435 3.814 ( 11.372 -2.965 0.000) 11.752 4.268 ( 15.357 0.805 0.000) 15.378 4.274 ( 14.467 0.197 0.000) 14.469 4.353 ( -13.062 1.200 0.000) 13.117 4.376 ( -12.102 -1.222 0.000) 12.163 4.487 ( 1.156 3.515 0.000) 3.700 4.536 ( 0.545 -1.774 0.000) 1.856 4.867 ( 19.803 1.685 0.000) 19.874 4.897 ( 20.541 -1.518 0.000) 20.597 5.611 ( -15.610 2.866 0.000) 15.871 5.673 ( -16.132 -3.589 0.000) 16.526 5.726 ( -5.476 5.490 0.000) 7.754 5.815 ( -8.318 5.667 0.000) 10.065 5.819 ( -5.392 -4.331 0.000) 6.916 5.919 ( -8.413 -5.353 0.000) 9.971 7.173 ( 12.285 3.218 0.000) 12.699 7.249 ( 8.915 -4.821 0.000) 10.135 7.523 ( -4.848 1.815 0.000) 5.177 7.562 ( -6.506 -2.227 0.000) 6.877 10.697 ( 34.516 1.315 0.000) 34.541 10.720 ( 33.924 -1.128 0.000) 33.943 11.032 ( 11.178 5.133 0.000) 12.300 11.125 ( 10.942 -4.776 0.000) 11.939 12.011 ( 0.918 10.604 0.000) 10.644 12.221 ( 4.814 -12.095 0.000) 13.018 12.558 ( -20.251 2.969 0.000) 20.468 12.616 ( -17.466 -3.149 0.000) 17.748 13.310 ( 13.793 18.453 0.000) 23.038 13.624 ( 2.598 1.814 0.000) 3.169 13.630 ( 8.715 -15.493 0.000) 17.776 13.651 ( 4.733 -1.054 0.000) 4.848 14.070 ( -3.431 3.715 0.000) 5.057 14.159 ( -2.284 -6.199 0.000) 6.606 14.209 ( -8.127 5.268 0.000) 9.685 14.315 ( -5.575 -5.958 0.000) 8.159 16.947 ( 4.865 0.863 0.000) 4.941 16.964 ( 5.151 -0.925 0.000) 5.234 17.163 ( -5.061 1.654 0.000) 5.324 17.195 ( -5.482 -1.766 0.000) 5.760 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -1.233 5.261 0.000) 5.403 1.315 ( 1.233 5.261 0.000) 5.403 1.403 ( -2.319 -3.798 0.000) 4.450 1.403 ( 2.319 -3.798 0.000) 4.450 1.610 ( -3.602 5.851 0.000) 6.871 1.610 ( 3.602 5.851 0.000) 6.871 1.687 ( -6.625 -1.298 0.000) 6.751 1.687 ( 6.625 -1.298 0.000) 6.751 1.826 ( -3.075 3.600 0.000) 4.734 1.826 ( 3.075 3.600 0.000) 4.734 1.911 ( -7.630 -3.643 0.000) 8.455 1.911 ( 7.630 -3.643 0.000) 8.455 1.968 ( -2.250 2.467 0.000) 3.339 1.968 ( 2.250 2.467 0.000) 3.339 2.018 ( -3.257 -2.266 0.000) 3.967 2.018 ( 3.257 -2.266 0.000) 3.967 2.208 ( -6.220 8.482 0.000) 10.519 2.208 ( 6.220 8.482 0.000) 10.519 2.411 ( -1.212 -11.354 0.000) 11.418 2.411 ( 1.212 -11.354 0.000) 11.418 2.647 ( -3.352 1.943 0.000) 3.874 2.647 ( 3.352 1.943 0.000) 3.874 2.742 ( -1.452 -7.120 0.000) 7.267 2.742 ( 1.452 -7.120 0.000) 7.267 3.000 ( -4.118 3.030 0.000) 5.112 3.000 ( 4.118 3.030 0.000) 5.112 3.032 ( -4.690 -0.364 0.000) 4.704 3.032 ( 4.690 -0.364 0.000) 4.704 3.272 ( -2.374 4.509 0.000) 5.096 3.272 ( 2.374 4.509 0.000) 5.096 3.344 ( -0.284 -3.323 0.000) 3.335 3.344 ( 0.284 -3.323 0.000) 3.335 4.047 ( -15.438 2.061 0.000) 15.575 4.047 ( 15.438 2.061 0.000) 15.575 4.088 ( -14.555 -2.219 0.000) 14.723 4.088 ( 14.555 -2.219 0.000) 14.723 4.474 ( -4.518 1.856 0.000) 4.884 4.474 ( 4.518 1.856 0.000) 4.884 4.492 ( -6.051 -0.178 0.000) 6.053 4.492 ( 6.051 -0.178 0.000) 6.053 5.261 ( -18.243 2.315 0.000) 18.389 5.261 ( 18.243 2.315 0.000) 18.389 5.308 ( -19.078 -2.672 0.000) 19.265 5.308 ( 19.078 -2.672 0.000) 19.265 5.693 ( -2.585 5.496 0.000) 6.073 5.693 ( 2.585 5.496 0.000) 6.073 5.791 ( -2.932 -4.887 0.000) 5.699 5.791 ( 2.932 -4.887 0.000) 5.699 7.391 ( -8.691 0.683 0.000) 8.718 7.391 ( 8.691 0.683 0.000) 8.718 7.413 ( -7.322 -1.642 0.000) 7.504 7.413 ( 7.322 -1.642 0.000) 7.504 11.138 ( -5.293 3.016 0.000) 6.092 11.138 ( 5.293 3.016 0.000) 6.092 11.190 ( -8.745 -2.498 0.000) 9.095 11.190 ( 8.745 -2.498 0.000) 9.095 12.147 ( -15.733 8.028 0.000) 17.663 12.147 ( 15.733 8.028 0.000) 17.663 12.307 ( -9.296 -9.059 0.000) 12.980 12.307 ( 9.296 -9.059 0.000) 12.980 13.586 ( -8.473 9.108 0.000) 12.440 13.586 ( 8.473 9.108 0.000) 12.440 13.720 ( -0.675 -5.294 0.000) 5.337 13.720 ( 0.675 -5.294 0.000) 5.337 14.061 ( -3.902 5.275 0.000) 6.561 14.061 ( 3.902 5.275 0.000) 6.561 14.191 ( -5.246 -8.466 0.000) 9.960 14.191 ( 5.246 -8.466 0.000) 9.960 17.054 ( -5.373 1.227 0.000) 5.511 17.054 ( 5.373 1.227 0.000) 5.511 17.078 ( -5.755 -1.300 0.000) 5.900 17.078 ( 5.755 -1.300 0.000) 5.900 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 0.000 0.000 14.430) 14.430 0.381 ( 0.000 0.000 19.208) 19.208 0.600 ( 0.000 0.000 30.327) 30.327 1.255 ( 0.000 0.000 2.954) 2.954 1.274 ( 0.000 0.000 2.348) 2.348 1.295 ( 0.000 0.000 6.203) 6.203 1.366 ( 0.000 0.000 -0.354) 0.354 1.479 ( 0.000 0.000 -4.470) 4.470 1.861 ( 0.000 0.000 -3.484) 3.484 1.904 ( 0.000 0.000 -2.618) 2.618 2.024 ( 0.000 0.000 -1.305) 1.305 2.024 ( 0.000 0.000 -0.550) 0.550 2.081 ( 0.000 0.000 -7.019) 7.019 2.219 ( 0.000 0.000 -4.882) 4.882 2.294 ( 0.000 0.000 -9.361) 9.361 2.303 ( 0.000 0.000 4.197) 4.197 2.359 ( 0.000 0.000 2.685) 2.685 2.421 ( 0.000 0.000 3.884) 3.884 2.538 ( 0.000 0.000 1.876) 1.876 2.608 ( 0.000 0.000 8.078) 8.078 2.619 ( 0.000 0.000 -2.810) 2.810 2.672 ( 0.000 0.000 -1.956) 1.956 2.722 ( 0.000 0.000 5.811) 5.811 2.775 ( 0.000 0.000 4.535) 4.535 2.828 ( 0.000 0.000 -0.650) 0.650 2.934 ( 0.000 0.000 -3.500) 3.500 2.965 ( 0.000 0.000 -5.945) 5.945 3.047 ( 0.000 0.000 0.948) 0.948 3.095 ( 0.000 0.000 0.410) 0.410 3.163 ( 0.000 0.000 0.098) 0.098 3.367 ( 0.000 0.000 -1.909) 1.909 3.398 ( 0.000 0.000 -1.132) 1.132 3.518 ( 0.000 0.000 2.493) 2.493 3.526 ( 0.000 0.000 -2.095) 2.095 3.641 ( 0.000 0.000 1.046) 1.046 3.707 ( 0.000 0.000 0.442) 0.442 3.837 ( 0.000 0.000 6.236) 6.236 3.895 ( 0.000 0.000 0.207) 0.207 4.140 ( 0.000 0.000 -0.804) 0.804 4.478 ( 0.000 0.000 -5.300) 5.300 4.788 ( 0.000 0.000 -3.160) 3.160 4.816 ( 0.000 0.000 -3.066) 3.066 5.758 ( 0.000 0.000 -12.211) 12.211 5.808 ( 0.000 0.000 -11.935) 11.935 6.053 ( 0.000 0.000 -2.474) 2.474 6.121 ( 0.000 0.000 -4.311) 4.311 6.294 ( 0.000 0.000 3.258) 3.258 6.454 ( 0.000 0.000 1.423) 1.423 6.574 ( 0.000 0.000 13.136) 13.136 6.590 ( 0.000 0.000 13.376) 13.376 7.885 ( 0.000 0.000 4.285) 4.285 8.468 ( 0.000 0.000 -2.457) 2.457 8.865 ( 0.000 0.000 0.055) 0.055 8.870 ( 0.000 0.000 -0.008) 0.008 10.445 ( 0.000 0.000 0.834) 0.834 10.591 ( 0.000 0.000 -0.952) 0.952 10.715 ( 0.000 0.000 0.145) 0.145 10.729 ( 0.000 0.000 -0.030) 0.030 12.120 ( 0.000 0.000 5.807) 5.807 13.142 ( 0.000 0.000 0.240) 0.240 13.185 ( 0.000 0.000 -4.490) 4.490 13.311 ( 0.000 0.000 -3.874) 3.874 13.482 ( 0.000 0.000 0.036) 0.036 13.490 ( 0.000 0.000 0.080) 0.080 14.162 ( 0.000 0.000 0.075) 0.075 14.306 ( 0.000 0.000 -4.346) 4.346 14.545 ( 0.000 0.000 5.027) 5.027 14.915 ( 0.000 0.000 -1.335) 1.335 16.866 ( 0.000 0.000 5.993) 5.993 17.289 ( 0.000 0.000 -0.439) 0.439 17.463 ( 0.000 0.000 2.532) 2.532 17.843 ( 0.000 0.000 -1.431) 1.431 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 8.325 0.000 10.423) 13.340 0.472 ( 9.251 0.000 10.235) 13.796 1.067 ( 31.581 0.000 18.361) 36.530 1.317 ( 3.247 0.000 0.423) 3.274 1.317 ( 2.549 0.000 3.741) 4.527 1.384 ( 3.418 0.000 0.183) 3.423 1.505 ( 2.593 0.000 -2.551) 3.637 1.510 ( 18.065 0.000 3.420) 18.386 1.783 ( -3.936 0.000 -4.955) 6.329 1.889 ( -3.119 0.000 1.581) 3.497 1.972 ( -6.553 0.000 -5.257) 8.402 2.022 ( -1.111 0.000 -1.258) 1.678 2.059 ( 0.952 0.000 -3.281) 3.416 2.185 ( -2.879 0.000 -3.416) 4.467 2.267 ( -4.894 0.000 1.950) 5.269 2.317 ( -3.288 0.000 1.040) 3.449 2.386 ( 6.946 0.000 -10.317) 12.438 2.415 ( -1.734 0.000 3.944) 4.308 2.467 ( -4.929 0.000 2.156) 5.379 2.532 ( -6.977 0.000 -1.134) 7.069 2.547 ( -6.041 0.000 2.334) 6.476 2.614 ( 0.372 0.000 7.460) 7.469 2.778 ( 5.494 0.000 6.424) 8.453 2.794 ( -2.264 0.000 -1.645) 2.799 2.851 ( 4.248 0.000 2.009) 4.699 2.891 ( -3.676 0.000 -3.611) 5.153 3.004 ( -0.230 0.000 -1.567) 1.584 3.057 ( 2.534 0.000 -3.173) 4.061 3.128 ( 1.821 0.000 0.486) 1.885 3.177 ( 1.917 0.000 -1.300) 2.316 3.298 ( -1.264 0.000 4.277) 4.460 3.485 ( 11.720 0.000 -1.557) 11.823 3.499 ( -3.660 0.000 2.907) 4.674 3.552 ( 14.088 0.000 -1.754) 14.196 3.569 ( -4.841 0.000 0.186) 4.845 3.652 ( -2.815 0.000 -1.847) 3.367 4.084 ( 15.586 0.000 2.437) 15.775 4.122 ( 16.344 0.000 1.886) 16.453 4.164 ( 2.409 0.000 -1.023) 2.617 4.482 ( 0.412 0.000 -5.432) 5.448 4.729 ( -4.689 0.000 -1.870) 5.048 4.779 ( -3.690 0.000 -0.907) 3.800 5.710 ( -4.255 0.000 -11.599) 12.355 5.770 ( -3.382 0.000 -11.103) 11.607 6.071 ( -8.374 0.000 -4.865) 9.685 6.147 ( -2.989 0.000 -8.760) 9.256 6.420 ( 14.305 0.000 3.596) 14.750 6.477 ( -9.438 0.000 13.689) 16.627 6.518 ( -5.571 0.000 12.742) 13.906 6.819 ( 19.285 0.000 -15.851) 24.963 7.863 ( -2.297 0.000 4.245) 4.826 7.955 ( -17.757 0.000 19.351) 26.264 9.130 ( 25.974 0.000 0.347) 25.976 9.212 ( 29.360 0.000 -0.489) 29.364 10.513 ( 6.415 0.000 0.894) 6.477 10.686 ( 8.860 0.000 -1.187) 8.939 11.041 ( 29.979 0.000 0.240) 29.980 12.076 ( -4.212 0.000 5.600) 7.007 12.383 ( 70.674 0.000 -67.222) 97.538 13.076 ( -6.411 0.000 0.215) 6.415 13.118 ( -6.702 0.000 -5.151) 8.453 13.224 ( -8.066 0.000 -2.680) 8.500 13.503 ( 2.211 0.000 0.036) 2.212 13.525 ( 3.112 0.000 -0.658) 3.181 14.144 ( -1.813 0.000 0.137) 1.818 14.284 ( -2.245 0.000 -4.276) 4.830 14.500 ( -4.041 0.000 4.827) 6.296 14.801 ( -8.647 0.000 4.351) 9.680 16.881 ( 1.444 0.000 5.481) 5.668 17.263 ( -4.878 0.000 3.023) 5.739 17.306 ( -17.177 0.000 19.424) 25.930 17.466 ( -6.064 0.000 5.048) 7.890 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 13.100 0.000 6.189) 14.489 0.715 ( 13.549 0.000 -4.118) 14.161 1.341 ( 0.567 0.000 -0.812) 0.991 1.377 ( 3.727 0.000 0.310) 3.740 1.488 ( 4.190 0.000 -4.243) 5.963 1.550 ( 10.137 0.000 16.081) 19.010 1.596 ( 5.464 0.000 -0.174) 5.466 1.739 ( -0.791 0.000 -0.738) 1.081 1.743 ( 0.916 0.000 2.531) 2.692 1.803 ( -3.535 0.000 2.752) 4.480 1.935 ( -1.968 0.000 -8.159) 8.392 1.968 ( -3.694 0.000 -1.912) 4.159 2.112 ( -4.052 0.000 -1.577) 4.347 2.126 ( -1.076 0.000 -0.838) 1.363 2.185 ( 10.939 0.000 3.961) 11.634 2.235 ( -4.341 0.000 -0.644) 4.389 2.307 ( -8.707 0.000 3.721) 9.468 2.368 ( -8.392 0.000 0.774) 8.428 2.385 ( -1.998 0.000 2.081) 2.885 2.507 ( 4.637 0.000 2.508) 5.272 2.532 ( 5.802 0.000 -10.422) 11.928 2.621 ( 0.462 0.000 4.881) 4.903 2.774 ( 0.445 0.000 -1.562) 1.624 2.802 ( -3.778 0.000 -1.581) 4.096 2.885 ( 3.393 0.000 0.551) 3.437 2.928 ( 3.641 0.000 3.305) 4.917 2.987 ( -0.803 0.000 -0.686) 1.056 3.085 ( -0.130 0.000 -4.195) 4.197 3.139 ( -0.573 0.000 1.331) 1.449 3.224 ( 1.054 0.000 -0.090) 1.057 3.340 ( 3.236 0.000 -0.733) 3.318 3.463 ( -3.288 0.000 2.605) 4.195 3.503 ( 3.966 0.000 0.950) 4.079 3.666 ( 4.457 0.000 -3.959) 5.962 3.819 ( 18.297 0.000 -2.895) 18.525 3.890 ( 16.828 0.000 -3.235) 17.136 4.240 ( 4.865 0.000 -1.662) 5.141 4.424 ( 16.045 0.000 -0.542) 16.054 4.493 ( 0.490 0.000 -5.898) 5.918 4.495 ( 18.478 0.000 0.769) 18.494 4.592 ( -7.666 0.000 0.688) 7.697 4.664 ( -6.820 0.000 1.556) 6.995 5.612 ( -4.295 0.000 -8.356) 9.395 5.692 ( -3.506 0.000 -7.782) 8.535 5.830 ( -13.846 0.000 -4.432) 14.538 5.988 ( -11.675 0.000 -7.938) 14.118 6.253 ( -11.485 0.000 13.396) 17.645 6.355 ( -10.059 0.000 11.094) 14.975 6.780 ( 18.425 0.000 1.410) 18.479 7.106 ( 10.572 0.000 -10.500) 14.900 7.732 ( -7.114 0.000 13.142) 14.944 7.787 ( -5.199 0.000 3.969) 6.541 9.844 ( 40.619 0.000 0.494) 40.622 9.953 ( 39.622 0.000 -0.699) 39.628 10.695 ( 10.853 0.000 1.088) 10.907 10.930 ( 13.933 0.000 -1.686) 14.035 11.829 ( 43.228 0.000 0.420) 43.230 11.957 ( -6.980 0.000 5.077) 8.631 12.874 ( -13.508 0.000 0.405) 13.514 12.910 ( -12.873 0.000 -6.001) 14.203 12.998 ( -13.570 0.000 -0.916) 13.601 13.289 ( 25.422 0.000 -33.307) 41.900 13.570 ( 4.012 0.000 0.063) 4.012 13.617 ( 6.079 0.000 -5.343) 8.093 14.088 ( -3.564 0.000 0.358) 3.582 14.211 ( -4.855 0.000 -3.540) 6.008 14.397 ( -5.712 0.000 2.661) 6.301 14.625 ( -8.071 0.000 4.479) 9.230 16.927 ( 3.048 0.000 4.300) 5.271 17.054 ( -4.699 0.000 15.795) 16.479 17.218 ( -3.256 0.000 0.392) 3.280 17.367 ( -5.175 0.000 1.892) 5.510 ======================= Grid point 48 (19/60) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 14.840 0.000 3.978) 15.364 1.012 ( 15.009 0.000 -9.010) 17.506 1.339 ( -2.135 0.000 -0.434) 2.179 1.471 ( 5.293 0.000 -3.604) 6.404 1.545 ( 1.313 0.000 -3.655) 3.884 1.570 ( -6.789 0.000 8.107) 10.574 1.608 ( -4.766 0.000 -0.819) 4.836 1.706 ( -3.093 0.000 1.160) 3.304 1.712 ( 2.154 0.000 1.124) 2.429 1.804 ( -3.778 0.000 -1.531) 4.076 1.874 ( 2.817 0.000 0.737) 2.912 1.888 ( 0.477 0.000 0.531) 0.714 2.039 ( -2.186 0.000 -2.535) 3.347 2.051 ( -7.926 0.000 4.972) 9.356 2.112 ( -4.097 0.000 0.597) 4.141 2.141 ( -4.754 0.000 -1.615) 5.021 2.198 ( -7.753 0.000 1.005) 7.818 2.257 ( -6.132 0.000 3.373) 6.999 2.592 ( 0.908 0.000 -0.739) 1.171 2.596 ( 15.891 0.000 3.123) 16.195 2.634 ( -0.368 0.000 -3.104) 3.126 2.717 ( 10.428 0.000 0.450) 10.438 2.779 ( 2.084 0.000 -2.316) 3.116 2.800 ( 1.670 0.000 -0.640) 1.789 2.896 ( -1.461 0.000 -4.148) 4.398 2.964 ( -1.984 0.000 -1.472) 2.470 3.012 ( 3.791 0.000 4.718) 6.053 3.079 ( 0.649 0.000 -3.051) 3.119 3.116 ( -1.511 0.000 2.852) 3.227 3.203 ( -2.650 0.000 2.778) 3.839 3.397 ( 1.920 0.000 -2.377) 3.055 3.412 ( -0.960 0.000 3.329) 3.464 3.694 ( 13.281 0.000 -0.245) 13.283 3.839 ( 12.036 0.000 -3.337) 12.490 4.150 ( 12.521 0.000 -7.018) 14.353 4.195 ( 12.427 0.000 -5.337) 13.525 4.338 ( 3.496 0.000 -3.693) 5.085 4.344 ( -13.803 0.000 0.800) 13.827 4.420 ( -12.603 0.000 -0.076) 12.603 4.487 ( -1.633 0.000 -6.813) 7.006 4.824 ( 17.516 0.000 -0.359) 17.520 4.913 ( 19.938 0.000 -1.244) 19.976 5.524 ( -15.583 0.000 -4.205) 16.140 5.573 ( 1.116 0.000 -0.647) 1.290 5.651 ( -0.208 0.000 -0.881) 0.905 5.693 ( -16.433 0.000 -6.795) 17.783 6.030 ( -9.352 0.000 10.402) 13.988 6.125 ( -11.464 0.000 8.310) 14.159 7.134 ( 15.595 0.000 1.203) 15.641 7.298 ( 8.482 0.000 -4.364) 9.539 7.597 ( -6.642 0.000 7.259) 9.839 7.647 ( -8.279 0.000 3.269) 8.901 10.670 ( 35.489 0.000 0.286) 35.491 10.734 ( 33.525 0.000 -0.586) 33.530 10.934 ( 11.622 0.000 1.535) 11.723 11.204 ( 10.655 0.000 -1.784) 10.804 11.829 ( -3.141 0.000 4.325) 5.346 12.504 ( -22.501 0.000 0.702) 22.512 12.634 ( -12.486 0.000 -4.977) 13.441 12.692 ( -14.712 0.000 -1.305) 14.770 12.696 ( 38.657 0.000 0.515) 38.661 13.558 ( 1.403 0.000 -2.591) 2.946 13.664 ( 5.700 0.000 -0.516) 5.723 13.773 ( 6.428 0.000 -11.973) 13.589 14.005 ( -3.772 0.000 0.556) 3.813 14.087 ( -6.965 0.000 -1.363) 7.098 14.292 ( -2.636 0.000 -2.819) 3.860 14.471 ( -7.017 0.000 -0.663) 7.048 17.000 ( 3.544 0.000 4.238) 5.524 17.035 ( 2.352 0.000 6.754) 7.152 17.144 ( -3.837 0.000 1.399) 4.084 17.250 ( -5.977 0.000 1.596) 6.186 ======================= Grid point 49 (20/60) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -12.141 0.000 2.225) 12.343 1.187 ( 12.141 0.000 2.225) 12.343 1.319 ( -14.476 0.000 -5.333) 15.427 1.319 ( 14.476 0.000 -5.333) 15.427 1.554 ( -0.730 0.000 -1.763) 1.908 1.554 ( 0.730 0.000 -1.763) 1.908 1.601 ( -6.549 0.000 -2.967) 7.190 1.601 ( 6.549 0.000 -2.967) 7.190 1.787 ( -4.420 0.000 -0.042) 4.420 1.787 ( 4.420 0.000 -0.042) 4.420 1.865 ( -7.715 0.000 5.900) 9.712 1.865 ( 7.715 0.000 5.900) 9.712 2.026 ( -3.310 0.000 -1.782) 3.760 2.026 ( 3.310 0.000 -1.782) 3.760 2.067 ( -1.667 0.000 0.256) 1.687 2.067 ( 1.667 0.000 0.256) 1.687 2.137 ( -4.552 0.000 4.017) 6.071 2.137 ( 4.552 0.000 4.017) 6.071 2.611 ( -1.208 0.000 -0.400) 1.272 2.611 ( 1.208 0.000 -0.400) 1.272 2.787 ( -2.993 0.000 -1.038) 3.168 2.787 ( 2.993 0.000 -1.038) 3.168 2.844 ( -3.294 0.000 -4.798) 5.820 2.844 ( 3.294 0.000 -4.798) 5.820 2.888 ( -5.538 0.000 -0.247) 5.544 2.888 ( 5.538 0.000 -0.247) 5.544 3.076 ( -2.455 0.000 3.867) 4.581 3.076 ( 2.455 0.000 3.867) 4.581 3.130 ( -3.784 0.000 1.164) 3.959 3.130 ( 3.784 0.000 1.164) 3.959 3.413 ( -0.311 0.000 0.036) 0.313 3.413 ( 0.311 0.000 0.036) 0.313 4.018 ( -16.987 0.000 1.059) 17.020 4.018 ( 16.987 0.000 1.059) 17.020 4.128 ( -14.938 0.000 -0.701) 14.954 4.128 ( 14.938 0.000 -0.701) 14.954 4.321 ( -3.827 0.000 -7.703) 8.602 4.321 ( 3.827 0.000 -7.703) 8.602 4.407 ( -6.142 0.000 -6.826) 9.183 4.407 ( 6.142 0.000 -6.826) 9.183 5.173 ( -14.385 0.000 -4.120) 14.964 5.173 ( 14.385 0.000 -4.120) 14.964 5.333 ( -16.545 0.000 -3.534) 16.918 5.333 ( 16.545 0.000 -3.534) 16.918 5.638 ( -3.044 0.000 5.978) 6.709 5.638 ( 3.044 0.000 5.978) 6.709 5.945 ( -3.437 0.000 5.559) 6.535 5.945 ( 3.437 0.000 5.559) 6.535 7.408 ( -8.926 0.000 2.128) 9.177 7.408 ( 8.926 0.000 2.128) 9.177 7.478 ( -5.456 0.000 1.533) 5.667 7.478 ( 5.456 0.000 1.533) 5.667 11.070 ( -0.857 0.000 0.338) 0.922 11.070 ( 0.857 0.000 0.338) 0.922 11.238 ( -10.927 0.000 0.034) 10.927 11.238 ( 10.927 0.000 0.034) 10.927 12.005 ( -21.743 0.000 2.122) 21.847 12.005 ( 21.743 0.000 2.122) 21.847 12.494 ( -1.614 0.000 -3.293) 3.667 12.494 ( 1.614 0.000 -3.293) 3.667 13.344 ( -22.498 0.000 0.595) 22.506 13.344 ( 22.498 0.000 0.595) 22.506 13.779 ( -4.391 0.000 -2.347) 4.979 13.779 ( 4.391 0.000 -2.347) 4.979 13.983 ( -1.947 0.000 0.308) 1.971 13.983 ( 1.947 0.000 0.308) 1.971 14.335 ( -5.676 0.000 -5.847) 8.149 14.335 ( 5.676 0.000 -5.847) 8.149 17.067 ( -3.453 0.000 3.477) 4.900 17.067 ( 3.453 0.000 3.477) 4.900 17.128 ( -5.644 0.000 2.200) 6.058 17.128 ( 5.644 0.000 2.200) 6.058 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 0.000 10.442 12.237) 16.086 0.453 ( 0.000 7.298 15.748) 17.357 0.836 ( 0.000 21.563 19.026) 28.757 1.074 ( 0.000 -8.759 4.987) 10.079 1.156 ( 0.000 -12.026 5.426) 13.193 1.447 ( 0.000 6.443 1.293) 6.572 1.448 ( 0.000 9.545 1.024) 9.600 1.614 ( 0.000 13.698 -6.478) 15.152 1.868 ( 0.000 -0.697 0.149) 0.712 1.897 ( 0.000 -2.987 -1.969) 3.577 2.004 ( 0.000 -0.345 -2.879) 2.900 2.089 ( 0.000 1.168 -5.773) 5.890 2.089 ( 0.000 4.271 -1.121) 4.416 2.184 ( 0.000 -4.468 -3.769) 5.845 2.284 ( 0.000 -1.290 -1.845) 2.251 2.317 ( 0.000 1.492 -3.486) 3.792 2.386 ( 0.000 2.728 2.628) 3.788 2.410 ( 0.000 -1.642 3.497) 3.864 2.454 ( 0.000 -8.154 -2.154) 8.434 2.528 ( 0.000 -5.102 8.334) 9.772 2.543 ( 0.000 -3.021 2.432) 3.878 2.650 ( 0.000 -1.762 4.549) 4.879 2.717 ( 0.000 -4.421 3.502) 5.640 2.758 ( 0.000 2.714 0.594) 2.778 2.864 ( 0.000 2.334 -0.491) 2.385 2.903 ( 0.000 -5.306 -2.661) 5.936 2.959 ( 0.000 -0.784 -5.904) 5.956 2.980 ( 0.000 -5.236 -1.102) 5.351 3.044 ( 0.000 0.090 1.977) 1.979 3.286 ( 0.000 4.366 -0.063) 4.366 3.316 ( 0.000 -7.317 7.683) 10.610 3.367 ( 0.000 -0.092 -1.316) 1.319 3.563 ( 0.000 3.478 1.491) 3.784 3.582 ( 0.000 -0.928 -6.267) 6.336 3.650 ( 0.000 6.682 -5.912) 8.922 3.715 ( 0.000 1.070 -1.053) 1.501 3.841 ( 0.000 0.493 5.841) 5.862 3.887 ( 0.000 -0.739 0.892) 1.159 4.188 ( 0.000 4.644 -0.923) 4.735 4.455 ( 0.000 -2.523 -4.726) 5.357 4.789 ( 0.000 0.033 -3.083) 3.083 4.800 ( 0.000 -0.855 -2.109) 2.275 5.820 ( 0.000 1.290 -12.865) 12.929 5.848 ( 0.000 4.593 -20.616) 21.121 6.058 ( 0.000 0.590 -2.608) 2.674 6.112 ( 0.000 -0.881 -4.064) 4.158 6.293 ( 0.000 -0.008 3.169) 3.169 6.362 ( 0.000 -3.902 4.564) 6.005 6.639 ( 0.000 5.117 14.468) 15.347 6.779 ( 0.000 11.332 7.508) 13.594 7.860 ( 0.000 -2.658 4.222) 4.989 8.046 ( 0.000 -25.175 20.138) 32.238 8.866 ( 0.000 0.081 0.054) 0.097 8.870 ( 0.000 -0.025 0.003) 0.025 10.461 ( 0.000 1.692 0.777) 1.861 10.585 ( 0.000 -1.205 -0.388) 1.266 10.717 ( 0.000 0.147 0.151) 0.211 10.728 ( 0.000 -0.137 -0.003) 0.137 12.714 ( 0.000 36.264 -31.430) 47.989 13.152 ( 0.000 1.153 0.108) 1.158 13.182 ( 0.000 -0.386 -4.498) 4.514 13.308 ( 0.000 -0.485 -5.810) 5.830 13.490 ( 0.000 0.884 0.660) 1.103 13.506 ( 0.000 1.594 -0.696) 1.740 14.172 ( 0.000 1.255 -0.251) 1.280 14.302 ( 0.000 -0.684 -4.606) 4.657 14.548 ( 0.000 0.498 5.658) 5.680 14.816 ( 0.000 -8.769 5.275) 10.234 16.877 ( 0.000 1.201 7.160) 7.260 17.304 ( 0.000 1.410 -0.182) 1.422 17.388 ( 0.000 -28.622 25.344) 38.230 17.445 ( 0.000 -1.866 2.173) 2.864 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.12 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 9.738 8.174 5.002) 13.662 0.694 ( 7.270 19.486 7.835) 22.225 1.118 ( 24.761 4.985 15.445) 29.606 1.167 ( 5.553 -10.270 3.169) 12.097 1.290 ( 12.724 -5.226 5.466) 14.802 1.430 ( -0.669 5.735 0.739) 5.821 1.578 ( 9.411 6.884 -0.281) 11.663 1.635 ( 3.447 11.619 -3.315) 12.565 1.816 ( -3.509 1.605 -2.703) 4.711 1.868 ( -2.008 -1.776 1.257) 2.961 1.979 ( -3.423 0.332 -3.545) 4.939 2.044 ( -1.681 -0.636 -1.994) 2.684 2.065 ( -1.772 2.068 -2.085) 3.430 2.156 ( -2.164 -2.799 -1.888) 4.010 2.253 ( -4.827 -1.037 1.181) 5.076 2.345 ( -2.783 1.885 0.698) 3.433 2.380 ( 3.400 -0.536 -6.750) 7.577 2.411 ( -1.297 -1.079 1.259) 2.105 2.440 ( -0.295 -2.985 -2.330) 3.798 2.479 ( -4.276 -2.917 3.112) 6.039 2.542 ( -1.722 -3.480 5.373) 6.629 2.568 ( -5.177 -0.599 4.332) 6.777 2.739 ( 3.942 -3.785 4.896) 7.338 2.785 ( -1.268 -0.605 0.053) 1.406 2.836 ( 0.037 -1.271 -1.251) 1.783 2.867 ( -1.999 -5.226 -3.613) 6.660 2.972 ( 0.077 -3.914 -0.180) 3.919 3.039 ( 0.304 0.899 1.073) 1.432 3.060 ( 5.182 -1.429 -3.135) 6.223 3.260 ( -1.287 -2.527 2.903) 4.058 3.339 ( 2.547 7.445 -0.713) 7.901 3.494 ( 7.041 1.217 -0.590) 7.170 3.519 ( -2.870 1.395 2.408) 3.997 3.535 ( 9.174 -0.547 -0.705) 9.217 3.608 ( -0.596 3.112 -1.888) 3.688 3.652 ( -1.877 0.275 -3.902) 4.338 4.084 ( 15.814 0.098 2.345) 15.987 4.107 ( 15.837 -0.850 1.383) 15.920 4.215 ( 3.163 4.625 -0.654) 5.641 4.463 ( 0.736 -2.156 -4.850) 5.358 4.733 ( -4.540 0.466 -1.838) 4.920 4.773 ( -3.530 -0.621 -1.099) 3.749 5.745 ( -5.326 2.925 -13.195) 14.527 5.784 ( -3.752 1.388 -12.055) 12.701 6.077 ( -7.587 0.596 -5.317) 9.284 6.132 ( -2.955 -1.496 -8.197) 8.841 6.375 ( 5.984 -2.549 6.440) 9.153 6.447 ( 0.439 -5.357 8.650) 10.184 6.567 ( -1.409 7.283 11.702) 13.855 6.876 ( 9.780 3.029 -5.527) 11.634 7.837 ( -2.931 -3.178 5.626) 7.095 7.847 ( -8.955 -7.921 15.856) 19.858 9.148 ( 26.418 1.592 0.108) 26.466 9.213 ( 29.168 -0.131 -0.537) 29.173 10.531 ( 6.651 1.953 0.782) 6.976 10.672 ( 8.609 -1.543 -0.881) 8.790 11.057 ( 31.004 1.919 0.177) 31.063 11.596 ( 40.975 -25.464 -6.922) 48.737 12.835 ( 14.136 22.611 -39.987) 48.063 13.087 ( -6.243 1.275 -0.207) 6.375 13.118 ( -6.391 -0.098 -4.996) 8.113 13.225 ( -7.846 0.007 -4.604) 9.097 13.507 ( 1.987 0.489 0.540) 2.116 13.534 ( 2.575 0.794 -0.763) 2.800 14.152 ( -1.853 1.198 -0.128) 2.210 14.279 ( -2.234 -0.709 -4.463) 5.041 14.502 ( -4.110 0.412 5.363) 6.769 14.728 ( -7.014 -6.729 6.953) 11.951 16.889 ( 1.260 0.941 6.480) 6.668 17.171 ( -11.719 -10.746 23.014) 27.972 17.286 ( -1.966 1.346 0.357) 2.410 17.428 ( -2.625 -2.680 2.354) 4.429 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 13.970 5.484 -4.270) 15.603 0.830 ( 7.586 18.369 4.435) 20.363 1.258 ( 5.078 -10.381 -1.790) 11.695 1.397 ( 0.602 5.601 -1.368) 5.797 1.519 ( 8.849 0.927 6.431) 10.978 1.572 ( 8.914 0.273 9.180) 12.799 1.646 ( 1.259 4.795 -0.710) 5.008 1.739 ( -0.069 1.618 0.307) 1.648 1.767 ( -3.310 2.018 -0.302) 3.889 1.822 ( -0.177 3.238 2.378) 4.022 1.961 ( -3.155 2.525 -7.086) 8.157 1.994 ( -3.496 0.084 -1.577) 3.836 2.080 ( -3.595 -1.225 1.635) 4.135 2.113 ( -1.691 -1.347 -2.579) 3.365 2.187 ( 10.199 0.294 3.172) 10.685 2.267 ( -4.893 2.118 0.520) 5.357 2.316 ( -6.410 1.688 1.742) 6.854 2.340 ( -6.327 -2.877 0.107) 6.951 2.371 ( -4.555 -1.350 3.577) 5.947 2.512 ( 5.015 -2.828 -5.009) 7.632 2.515 ( 6.195 -0.067 -0.395) 6.208 2.574 ( 1.895 -2.653 2.285) 3.981 2.703 ( -3.541 -3.894 -0.718) 5.312 2.818 ( -0.309 -5.172 1.394) 5.366 2.847 ( 1.162 -6.299 1.726) 6.634 2.856 ( 1.952 -1.632 -4.967) 5.581 2.971 ( -0.086 -2.576 1.623) 3.046 3.073 ( 2.710 1.721 0.344) 3.229 3.127 ( 1.112 0.546 -0.034) 1.239 3.291 ( 2.524 0.492 -2.681) 3.714 3.364 ( -0.358 4.922 0.960) 5.027 3.473 ( -4.239 0.971 1.916) 4.752 3.510 ( 4.420 0.962 0.110) 4.525 3.645 ( 5.061 -2.146 -4.001) 6.800 3.839 ( 17.554 1.797 -2.981) 17.896 3.891 ( 16.778 0.020 -3.343) 17.108 4.277 ( 4.685 3.597 -2.226) 6.312 4.431 ( 15.732 0.529 -0.821) 15.762 4.472 ( 6.997 -1.384 -3.614) 7.996 4.501 ( 12.464 -0.158 -0.926) 12.499 4.600 ( -7.437 0.789 0.710) 7.513 4.658 ( -6.832 -0.646 1.436) 7.011 5.637 ( -4.504 2.356 -9.204) 10.514 5.699 ( -3.816 0.681 -8.321) 9.179 5.848 ( -13.317 1.842 -4.973) 14.335 5.971 ( -11.679 -1.699 -7.351) 13.904 6.254 ( -11.084 0.153 13.625) 17.565 6.332 ( -9.494 -2.188 11.554) 15.113 6.810 ( 17.072 3.345 1.615) 17.472 7.091 ( 9.972 -2.108 -7.536) 12.676 7.702 ( -5.543 -2.372 11.330) 12.834 7.766 ( -4.971 -2.121 3.955) 6.697 9.861 ( 40.243 1.720 0.329) 40.281 9.949 ( 39.519 -0.487 -0.639) 39.527 10.720 ( 11.166 2.594 0.877) 11.497 10.910 ( 13.672 -2.144 -1.339) 13.904 11.840 ( 40.316 1.164 0.673) 40.338 11.944 ( 1.236 -1.288 4.100) 4.472 12.883 ( -13.332 0.931 0.227) 13.366 12.923 ( -11.527 1.006 -5.316) 12.734 13.006 ( -12.412 1.410 -3.255) 12.909 13.261 ( 21.111 -3.157 -30.884) 37.542 13.571 ( 3.946 0.144 0.409) 3.970 13.609 ( 4.703 -0.836 -2.505) 5.393 14.097 ( -3.493 1.154 0.143) 3.682 14.209 ( -4.471 -0.396 -3.699) 5.816 14.394 ( -6.234 -0.007 3.365) 7.084 14.574 ( -7.466 -4.829 4.989) 10.196 16.931 ( 2.836 0.434 4.950) 5.722 17.027 ( -2.735 -2.574 14.091) 14.583 17.230 ( -3.359 1.287 0.425) 3.622 17.349 ( -4.820 -1.779 1.635) 5.392 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.38 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 11.000 7.385 -1.683) 13.355 1.047 ( 14.073 7.518 -3.694) 16.377 1.342 ( 1.459 -2.701 -3.196) 4.432 1.445 ( 4.654 1.377 -1.923) 5.220 1.567 ( -5.474 1.069 6.149) 8.302 1.606 ( -3.504 1.740 -1.085) 4.060 1.648 ( -4.159 -1.026 2.333) 4.878 1.679 ( 0.823 5.056 0.004) 5.123 1.752 ( 1.731 2.642 -0.704) 3.236 1.826 ( -3.653 2.660 -1.493) 4.759 1.889 ( 1.763 0.513 -0.309) 1.862 1.938 ( -0.041 5.068 0.507) 5.094 1.994 ( -2.300 -2.799 -0.511) 3.658 2.048 ( -6.348 -0.364 3.643) 7.328 2.098 ( -4.167 -1.564 0.220) 4.456 2.168 ( -8.219 -1.510 0.704) 8.386 2.202 ( -6.030 2.294 1.776) 6.692 2.240 ( -4.679 -0.472 0.780) 4.767 2.522 ( 3.844 -6.251 -2.311) 7.693 2.566 ( 3.222 -2.304 2.668) 4.776 2.602 ( 3.355 -3.662 0.711) 5.017 2.720 ( 6.091 -1.246 -4.276) 7.546 2.764 ( 10.719 1.914 1.027) 10.937 2.791 ( -0.848 -5.088 0.607) 5.194 2.844 ( -0.571 -6.068 -3.543) 7.049 2.924 ( 3.861 -4.410 -0.830) 5.920 2.972 ( -0.061 1.381 1.452) 2.005 3.107 ( -2.161 0.344 1.064) 2.433 3.141 ( 2.930 4.553 1.343) 5.578 3.282 ( -3.082 5.396 1.664) 6.433 3.376 ( 1.531 -2.227 -1.970) 3.345 3.411 ( -1.508 -0.003 2.847) 3.222 3.701 ( 13.300 0.950 -1.015) 13.373 3.823 ( 12.137 -1.704 -3.338) 12.702 4.166 ( 12.587 1.506 -6.903) 14.435 4.199 ( 12.519 0.314 -5.567) 13.704 4.345 ( -10.190 0.561 0.109) 10.206 4.362 ( -2.700 1.514 -3.025) 4.328 4.422 ( -10.239 0.446 -0.653) 10.270 4.487 ( -1.565 -0.108 -6.594) 6.778 4.833 ( 17.762 0.936 -0.483) 17.794 4.905 ( 19.682 -0.826 -1.155) 19.733 5.531 ( -14.227 1.006 -4.004) 14.814 5.604 ( 0.165 3.153 -1.281) 3.407 5.653 ( -7.120 -0.938 -3.872) 8.159 5.693 ( -9.068 0.813 -4.150) 10.005 6.026 ( -10.171 -0.344 10.924) 14.930 6.106 ( -11.545 -1.986 8.957) 14.746 7.144 ( 14.842 1.181 1.103) 14.930 7.282 ( 8.718 -1.772 -3.309) 9.492 7.584 ( -6.285 -1.040 6.510) 9.108 7.632 ( -8.032 -1.538 3.226) 8.791 10.678 ( 35.190 0.840 0.242) 35.201 10.731 ( 33.706 -0.386 -0.419) 33.711 10.962 ( 11.439 2.986 1.153) 11.879 11.182 ( 10.786 -2.417 -1.425) 11.144 11.886 ( -2.298 6.023 3.742) 7.454 12.442 ( 6.338 -11.857 -0.817) 13.470 12.519 ( -21.864 1.641 0.579) 21.933 12.657 ( -14.676 -1.861 -0.854) 14.818 12.934 ( 17.722 14.863 -4.611) 23.585 13.562 ( 4.996 -0.294 -5.028) 7.094 13.659 ( 5.083 -0.695 -0.884) 5.206 13.730 ( 6.172 -4.333 -8.440) 11.318 14.019 ( -3.438 1.526 0.212) 3.768 14.100 ( -6.181 1.275 -2.107) 6.654 14.263 ( -4.643 -2.616 -0.793) 5.388 14.424 ( -7.237 -4.687 -0.382) 8.631 17.001 ( 3.541 0.084 4.371) 5.626 17.029 ( 2.698 -0.654 6.279) 6.865 17.153 ( -4.019 0.948 1.378) 4.353 17.239 ( -5.733 -1.216 1.536) 6.058 ======================= Grid point 58 (25/60) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -6.723 3.500 0.535) 7.598 1.226 ( 6.723 3.500 0.535) 7.598 1.360 ( -10.047 3.845 -3.953) 11.460 1.360 ( 10.047 3.845 -3.953) 11.460 1.550 ( -3.503 -1.954 -1.589) 4.314 1.550 ( 3.503 -1.954 -1.589) 4.314 1.622 ( -4.051 4.036 -2.939) 6.429 1.622 ( 4.051 4.036 -2.939) 6.429 1.824 ( -3.519 2.644 0.955) 4.504 1.824 ( 3.519 2.644 0.955) 4.504 1.873 ( -5.883 1.846 3.634) 7.157 1.873 ( 5.883 1.846 3.634) 7.157 2.009 ( -4.685 -2.397 -0.256) 5.269 2.009 ( 4.685 -2.397 -0.256) 5.269 2.074 ( -4.002 0.523 1.795) 4.417 2.074 ( 4.002 0.523 1.795) 4.417 2.139 ( -4.193 0.806 1.856) 4.656 2.139 ( 4.193 0.806 1.856) 4.656 2.549 ( -1.088 -5.695 -0.751) 5.846 2.549 ( 1.088 -5.695 -0.751) 5.846 2.716 ( -4.065 -5.770 0.166) 7.060 2.716 ( 4.065 -5.770 0.166) 7.060 2.823 ( -1.839 -3.603 -4.021) 5.704 2.823 ( 1.839 -3.603 -4.021) 5.704 2.936 ( -4.494 3.594 -0.029) 5.755 2.936 ( 4.494 3.594 -0.029) 5.755 3.026 ( -5.202 -1.297 1.587) 5.591 3.026 ( 5.202 -1.297 1.587) 5.591 3.209 ( -3.557 5.022 1.903) 6.441 3.209 ( 3.557 5.022 1.903) 6.441 3.397 ( -0.566 -1.653 0.247) 1.764 3.397 ( 0.566 -1.653 0.247) 1.764 4.024 ( -16.835 0.734 0.697) 16.866 4.024 ( 16.835 0.734 0.697) 16.866 4.114 ( -15.011 -1.426 -0.725) 15.096 4.114 ( 15.011 -1.426 -0.725) 15.096 4.345 ( -4.032 2.290 -7.748) 9.029 4.345 ( 4.032 2.290 -7.748) 9.029 4.410 ( -5.888 0.216 -7.083) 9.213 4.410 ( 5.888 0.216 -7.083) 9.213 5.187 ( -14.701 1.551 -3.898) 15.288 5.187 ( 14.701 1.551 -3.898) 15.288 5.315 ( -16.423 -1.815 -3.465) 16.882 5.315 ( 16.423 -1.815 -3.465) 16.882 5.673 ( -3.046 3.643 6.007) 7.657 5.673 ( 3.046 3.643 6.007) 7.657 5.922 ( -3.304 -2.524 5.642) 7.008 5.922 ( 3.304 -2.524 5.642) 7.008 7.407 ( -8.673 -0.001 2.085) 8.920 7.407 ( 8.673 -0.001 2.085) 8.920 7.462 ( -5.809 -1.546 1.604) 6.222 7.462 ( 5.809 -1.546 1.604) 6.222 11.090 ( -1.976 2.130 0.252) 2.917 11.090 ( 1.976 2.130 0.252) 2.917 11.226 ( -10.153 -1.350 0.026) 10.242 11.226 ( 10.153 -1.350 0.026) 10.242 12.046 ( -19.904 4.326 1.807) 20.449 12.046 ( 19.904 4.326 1.807) 20.449 12.435 ( -3.640 -5.924 -2.345) 7.338 12.435 ( 3.640 -5.924 -2.345) 7.338 13.414 ( -18.823 6.981 -0.391) 20.080 13.414 ( 18.823 6.981 -0.391) 20.080 13.762 ( -3.230 -2.048 -2.421) 4.526 13.762 ( 3.230 -2.048 -2.421) 4.526 13.997 ( -2.014 1.691 0.076) 2.630 13.997 ( 2.014 1.691 0.076) 2.630 14.282 ( -5.672 -5.438 -4.934) 9.278 14.282 ( 5.672 -5.438 -4.934) 9.278 17.072 ( -3.693 0.492 3.295) 4.974 17.072 ( 3.693 0.492 3.295) 4.974 17.121 ( -5.454 -0.746 2.267) 5.954 17.121 ( 5.454 -0.746 2.267) 5.954 ======================= Grid point 63 (26/60) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 0.000 10.218 10.407) 14.584 0.643 ( 0.000 11.953 8.792) 14.838 0.837 ( 0.000 -10.213 7.935) 12.933 0.909 ( 0.000 -13.925 6.762) 15.480 1.364 ( 0.000 27.442 10.026) 29.216 1.577 ( 0.000 6.677 -0.465) 6.693 1.596 ( 0.000 5.609 -0.722) 5.656 1.783 ( 0.000 -1.744 1.950) 2.616 1.803 ( 0.000 -5.510 0.944) 5.590 1.814 ( 0.000 -17.495 4.836) 18.151 1.981 ( 0.000 11.912 -8.093) 14.401 2.099 ( 0.000 -0.760 -2.791) 2.893 2.100 ( 0.000 1.740 -4.463) 4.790 2.200 ( 0.000 4.564 -2.516) 5.211 2.234 ( 0.000 -6.219 -6.518) 9.009 2.290 ( 0.000 -7.698 -4.875) 9.111 2.351 ( 0.000 1.476 -1.385) 2.024 2.375 ( 0.000 -1.267 2.040) 2.402 2.465 ( 0.000 6.571 3.243) 7.328 2.527 ( 0.000 3.700 5.749) 6.837 2.545 ( 0.000 2.339 3.714) 4.389 2.593 ( 0.000 -3.950 5.050) 6.411 2.629 ( 0.000 -4.941 4.072) 6.403 2.673 ( 0.000 -12.515 2.023) 12.678 2.847 ( 0.000 2.722 0.101) 2.724 2.887 ( 0.000 -0.633 -1.370) 1.509 2.941 ( 0.000 -0.671 -5.165) 5.209 2.942 ( 0.000 -0.614 -3.682) 3.733 3.073 ( 0.000 3.599 3.812) 5.243 3.174 ( 0.000 -7.099 6.118) 9.372 3.337 ( 0.000 1.749 0.799) 1.923 3.359 ( 0.000 -0.793 -0.127) 0.803 3.584 ( 0.000 1.098 -5.279) 5.392 3.598 ( 0.000 0.178 -1.760) 1.769 3.738 ( 0.000 2.182 -5.110) 5.557 3.742 ( 0.000 1.255 -3.129) 3.372 3.857 ( 0.000 1.091 3.768) 3.923 3.873 ( 0.000 -0.713 2.314) 2.421 4.288 ( 0.000 5.854 -1.719) 6.101 4.388 ( 0.000 -4.768 -3.283) 5.789 4.789 ( 0.000 0.058 -2.849) 2.850 4.791 ( 0.000 -0.206 -2.459) 2.468 5.851 ( 0.000 1.870 -15.530) 15.642 5.878 ( 0.000 -0.580 -19.248) 19.257 6.074 ( 0.000 1.051 -3.087) 3.261 6.094 ( 0.000 -1.075 -3.678) 3.832 6.297 ( 0.000 0.574 3.235) 3.285 6.316 ( 0.000 -1.570 3.732) 4.049 6.759 ( 0.000 7.276 16.488) 18.022 6.862 ( 0.000 -2.168 14.417) 14.579 7.790 ( 0.000 -4.206 11.396) 12.148 7.801 ( 0.000 -3.201 5.066) 5.992 8.868 ( 0.000 0.103 0.047) 0.113 8.869 ( 0.000 -0.069 0.027) 0.074 10.502 ( 0.000 2.617 0.587) 2.682 10.550 ( 0.000 -2.453 0.239) 2.465 10.720 ( 0.000 0.218 0.130) 0.254 10.724 ( 0.000 -0.216 0.064) 0.226 13.108 ( 0.000 8.368 -18.975) 20.738 13.168 ( 0.000 -1.285 -5.323) 5.476 13.197 ( 0.000 4.801 -6.119) 7.778 13.281 ( 0.000 -2.904 -10.197) 10.602 13.514 ( 0.000 1.561 0.689) 1.706 13.530 ( 0.000 0.308 -1.136) 1.177 14.215 ( 0.000 3.310 -2.578) 4.195 14.273 ( 0.000 -2.551 -4.552) 5.218 14.576 ( 0.000 2.946 7.223) 7.800 14.665 ( 0.000 -6.828 8.536) 10.931 16.918 ( 0.000 3.764 11.173) 11.790 17.041 ( 0.000 -10.874 19.373) 22.216 17.346 ( 0.000 2.772 0.434) 2.806 17.400 ( 0.000 -2.913 1.314) 3.196 ======================= Grid point 64 (27/60) ======================= q-point: ( 0.12 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 7.105 12.137 3.130) 14.408 0.911 ( 7.515 -10.984 2.260) 13.499 0.982 ( 16.109 7.429 7.188) 19.140 1.127 ( 18.641 -7.015 7.442) 21.263 1.425 ( 7.099 19.914 9.590) 23.215 1.562 ( -1.442 8.018 -0.475) 8.161 1.649 ( 1.992 -1.069 -1.424) 2.672 1.764 ( -1.441 -4.441 1.850) 5.023 1.815 ( 3.400 -0.546 2.734) 4.397 1.849 ( 4.494 -10.812 3.444) 12.205 1.966 ( -1.131 9.628 -4.407) 10.649 2.043 ( -3.573 0.764 -0.877) 3.758 2.052 ( -1.721 2.005 -4.599) 5.304 2.177 ( -2.223 2.318 -2.067) 3.819 2.228 ( -2.364 -2.629 -2.692) 4.443 2.269 ( -2.082 -7.298 -4.557) 8.853 2.384 ( 0.530 0.081 -2.647) 2.700 2.391 ( 0.684 -1.407 -2.543) 2.986 2.438 ( -2.919 4.104 2.215) 5.502 2.482 ( -2.899 3.913 3.810) 6.183 2.506 ( -6.128 -2.735 3.665) 7.646 2.580 ( 0.431 2.764 4.868) 5.615 2.633 ( 0.106 -8.658 3.124) 9.204 2.686 ( 1.910 -8.475 3.012) 9.195 2.793 ( -3.502 0.883 -0.787) 3.696 2.815 ( -3.804 -1.256 -1.558) 4.298 2.967 ( 1.445 1.682 -2.146) 3.086 3.008 ( 3.183 -2.524 -2.867) 4.972 3.102 ( 3.182 3.932 1.108) 5.179 3.184 ( 1.853 -4.839 2.621) 5.807 3.436 ( 6.118 3.559 -0.979) 7.146 3.486 ( 8.307 -2.031 -0.365) 8.559 3.547 ( -0.407 0.998 0.708) 1.290 3.547 ( 1.161 1.045 -0.059) 1.564 3.656 ( -2.367 1.736 -3.334) 4.442 3.666 ( -2.528 0.680 -5.575) 6.159 4.089 ( 16.151 0.371 2.009) 16.280 4.096 ( 16.230 -0.457 1.549) 16.310 4.312 ( 2.420 5.526 -1.668) 6.259 4.404 ( 1.530 -4.287 -3.372) 5.665 4.745 ( -4.128 0.758 -1.711) 4.532 4.759 ( -3.668 -0.805 -1.451) 4.026 5.790 ( -5.095 1.859 -14.639) 15.612 5.806 ( -4.771 0.396 -14.552) 15.319 6.089 ( -5.532 0.651 -6.055) 8.227 6.105 ( -3.516 -1.209 -6.763) 7.717 6.347 ( 3.698 -0.253 7.403) 8.279 6.370 ( 2.580 -2.779 7.628) 8.518 6.718 ( 0.406 8.736 11.837) 14.717 6.857 ( 2.698 -5.305 7.264) 9.390 7.750 ( -2.852 -1.065 9.304) 9.790 7.781 ( -1.913 -3.279 4.854) 6.162 9.178 ( 27.782 1.562 -0.166) 27.826 9.203 ( 28.793 -1.016 -0.420) 28.814 10.578 ( 7.252 2.973 0.421) 7.849 10.632 ( 7.983 -2.715 -0.199) 8.435 11.119 ( 34.304 5.188 -0.308) 34.695 11.267 ( 39.872 -11.843 -1.997) 41.642 13.071 ( -3.626 4.145 -13.399) 14.487 13.106 ( -5.913 -0.838 -5.292) 7.980 13.148 ( -3.977 5.255 -11.749) 13.471 13.214 ( -6.395 -1.666 -10.150) 12.112 13.522 ( 1.329 1.110 1.360) 2.202 13.540 ( 1.304 -0.475 0.303) 1.421 14.194 ( -2.022 3.178 -2.159) 4.342 14.251 ( -2.196 -2.538 -4.146) 5.334 14.527 ( -4.349 2.660 6.605) 8.343 14.605 ( -5.113 -5.861 7.880) 11.072 16.921 ( 0.440 2.776 9.791) 10.187 17.003 ( -2.441 -6.680 16.131) 17.629 17.324 ( -2.072 2.660 0.478) 3.405 17.377 ( -2.265 -2.950 1.240) 3.921 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.25 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 10.796 8.656 -3.911) 14.379 1.052 ( 7.249 -10.878 -3.122) 13.440 1.200 ( 6.239 18.488 3.407) 19.807 1.449 ( 10.155 -8.027 5.285) 13.982 1.523 ( -0.582 6.324 -2.424) 6.797 1.613 ( 5.892 5.467 9.950) 12.791 1.627 ( -0.825 -4.312 -3.600) 5.678 1.748 ( -1.017 -5.678 2.770) 6.399 1.828 ( -2.984 3.742 6.136) 7.782 1.898 ( -2.526 -5.482 5.281) 8.020 1.989 ( 1.551 11.977 -3.876) 12.684 2.035 ( -3.815 5.799 -6.872) 9.767 2.076 ( -2.129 -2.281 -4.211) 5.241 2.133 ( -2.678 3.806 -0.073) 4.654 2.188 ( 7.577 -0.828 1.462) 7.761 2.234 ( -0.790 -7.589 -2.233) 7.950 2.290 ( -8.599 0.877 2.461) 8.987 2.327 ( -6.098 -2.539 3.367) 7.414 2.421 ( -2.724 6.599 1.388) 7.273 2.441 ( 4.376 -1.739 -0.038) 4.709 2.461 ( 6.546 -3.968 -1.830) 7.871 2.586 ( -1.587 -6.050 0.475) 6.273 2.624 ( 1.009 0.608 0.456) 1.263 2.695 ( -0.762 -3.475 -0.818) 3.651 2.763 ( -0.944 -3.053 0.117) 3.198 2.774 ( 1.473 -4.090 0.530) 4.379 3.002 ( 1.981 3.556 0.929) 4.175 3.062 ( 2.498 -2.636 0.662) 3.691 3.176 ( 3.191 4.000 -0.864) 5.190 3.249 ( 3.659 -3.650 -1.559) 5.398 3.464 ( -4.407 4.078 0.660) 6.040 3.491 ( -4.784 0.506 1.199) 4.957 3.537 ( 5.403 2.208 -1.948) 6.154 3.594 ( 5.633 -3.339 -3.938) 7.641 3.870 ( 16.995 1.377 -3.178) 17.345 3.887 ( 16.819 -0.521 -3.376) 17.162 4.352 ( 4.641 4.186 -3.550) 7.188 4.416 ( 7.162 -2.564 -4.034) 8.611 4.466 ( 13.659 1.014 -0.472) 13.705 4.489 ( 14.368 -1.128 -0.042) 14.413 4.619 ( -7.047 1.241 0.870) 7.208 4.641 ( -6.867 -1.134 1.151) 7.055 5.682 ( -4.577 2.215 -10.353) 11.534 5.707 ( -4.207 -0.280 -9.943) 10.800 5.888 ( -12.499 2.425 -5.743) 13.968 5.933 ( -11.856 -2.327 -6.332) 13.641 6.261 ( -9.975 0.806 13.852) 17.089 6.289 ( -9.165 -2.180 12.909) 15.981 6.899 ( 13.734 6.164 1.449) 15.123 7.016 ( 10.617 -5.891 -1.530) 12.238 7.682 ( -4.015 0.642 6.987) 8.084 7.718 ( -4.342 -2.791 4.457) 6.819 9.898 ( 39.703 2.128 -0.032) 39.760 9.932 ( 39.460 -1.459 -0.406) 39.489 10.783 ( 11.971 3.984 0.290) 12.620 10.855 ( 12.934 -3.711 -0.537) 13.467 11.871 ( 31.916 2.138 1.256) 32.013 11.912 ( 17.838 -2.172 2.376) 18.126 12.905 ( -12.835 1.338 -0.390) 12.911 12.926 ( -11.906 -0.748 -1.937) 12.086 13.068 ( -4.207 5.207 -12.019) 13.757 13.176 ( 9.220 -5.891 -22.608) 25.116 13.576 ( 3.691 0.489 1.248) 3.927 13.590 ( 3.447 -1.041 1.151) 3.780 14.135 ( -3.557 2.866 -1.237) 4.732 14.186 ( -3.869 -2.251 -3.014) 5.397 14.412 ( -6.807 2.289 4.203) 8.321 14.479 ( -6.852 -4.873 4.758) 9.661 16.945 ( 2.074 1.232 6.955) 7.361 16.978 ( 0.311 -2.370 10.314) 10.588 17.264 ( -3.722 2.263 0.677) 4.408 17.308 ( -4.244 -2.509 1.134) 5.059 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.38 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 11.144 5.230 -7.109) 14.215 1.199 ( 6.948 -3.354 -5.181) 9.293 1.331 ( 6.357 10.474 2.258) 12.459 1.510 ( -4.072 -4.439 3.786) 7.114 1.532 ( 2.494 2.476 -0.610) 3.567 1.598 ( -4.382 -1.285 -1.433) 4.786 1.668 ( 0.997 3.767 3.909) 5.519 1.774 ( 0.006 -1.439 -1.427) 2.027 1.787 ( 1.941 1.553 2.199) 3.319 1.823 ( -2.462 -3.848 0.738) 4.628 1.909 ( -3.392 5.822 -1.890) 6.998 1.999 ( -2.310 -2.159 -0.896) 3.286 2.040 ( -1.621 2.636 0.818) 3.201 2.057 ( -3.653 3.152 1.876) 5.177 2.099 ( -7.379 4.108 -0.239) 8.449 2.127 ( -5.593 0.548 3.147) 6.441 2.161 ( -4.508 -2.254 0.456) 5.060 2.334 ( -3.866 5.896 -0.558) 7.072 2.354 ( 0.939 -10.240 -2.511) 10.585 2.486 ( -4.658 -7.537 1.151) 8.935 2.585 ( 5.017 2.862 2.703) 6.377 2.672 ( 4.464 -6.742 0.925) 8.138 2.704 ( 2.164 -0.735 -1.907) 2.976 2.720 ( 0.051 -3.190 -0.924) 3.321 2.807 ( 11.366 1.768 -0.592) 11.518 2.850 ( 7.332 -3.323 -1.600) 8.207 3.037 ( 0.748 3.994 1.783) 4.437 3.094 ( -0.391 -2.021 1.673) 2.652 3.230 ( 2.545 4.930 -0.440) 5.565 3.312 ( 2.360 -3.702 -1.697) 4.707 3.370 ( -4.225 3.005 1.912) 5.526 3.406 ( -3.203 -0.891 2.160) 3.965 3.732 ( 13.046 2.390 -2.376) 13.474 3.781 ( 12.500 -2.728 -3.151) 13.176 4.192 ( 12.742 1.090 -6.561) 14.374 4.203 ( 12.709 -0.075 -6.093) 14.094 4.359 ( -11.470 0.823 0.066) 11.499 4.372 ( -9.513 -0.407 -1.122) 9.587 4.448 ( -2.642 2.050 -3.893) 5.132 4.478 ( -1.339 -1.055 -5.825) 6.069 4.856 ( 18.345 1.518 -0.752) 18.423 4.884 ( 19.050 -1.450 -0.984) 19.130 5.563 ( -13.347 2.441 -4.187) 14.199 5.613 ( -12.559 -2.818 -4.770) 13.727 5.671 ( -0.589 3.456 -2.762) 4.463 5.708 ( -1.732 -0.275 -3.448) 3.869 6.027 ( -11.796 0.835 11.754) 16.673 6.061 ( -11.970 -2.590 10.660) 16.237 7.179 ( 12.739 2.627 0.591) 13.020 7.235 ( 10.175 -3.183 -0.959) 10.705 7.576 ( -6.321 0.423 4.667) 7.869 7.599 ( -7.232 -1.797 3.482) 8.225 10.698 ( 34.565 1.219 0.110) 34.587 10.719 ( 34.037 -0.976 -0.118) 34.051 11.035 ( 11.236 4.634 0.308) 12.158 11.119 ( 11.037 -4.287 -0.618) 11.856 12.035 ( 0.089 9.829 2.439) 10.127 12.231 ( 3.453 -11.274 0.944) 11.829 12.560 ( -20.092 2.715 0.223) 20.276 12.613 ( -17.513 -2.825 -0.330) 17.742 13.216 ( 17.854 15.556 -8.636) 25.206 13.471 ( 15.445 -10.979 -12.357) 22.623 13.649 ( 2.249 0.481 0.664) 2.394 13.670 ( 3.806 -1.675 0.415) 4.179 14.061 ( -3.050 2.904 -0.623) 4.257 14.108 ( -3.038 -1.438 -2.558) 4.224 14.243 ( -9.198 1.868 1.483) 9.503 14.322 ( -8.429 -5.760 0.124) 10.210 17.005 ( 3.503 0.386 4.727) 5.896 17.015 ( 3.251 -0.723 5.377) 6.325 17.177 ( -4.512 1.651 1.364) 4.995 17.210 ( -5.157 -1.810 1.423) 5.648 ======================= Grid point 67 (30/60) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -4.221 4.393 -1.645) 6.310 1.299 ( 4.221 4.393 -1.645) 6.310 1.376 ( -2.819 -3.137 -2.312) 4.809 1.376 ( 2.819 -3.137 -2.312) 4.809 1.584 ( -1.783 5.927 -1.851) 6.460 1.584 ( 1.783 5.927 -1.851) 6.460 1.664 ( -4.018 -1.034 -2.057) 4.631 1.664 ( 4.018 -1.034 -2.057) 4.631 1.859 ( -4.203 2.472 2.512) 5.485 1.859 ( 4.203 2.472 2.512) 5.485 1.924 ( -7.247 -2.577 1.066) 7.765 1.924 ( 7.247 -2.577 1.066) 7.765 1.970 ( -0.517 3.357 0.375) 3.418 1.970 ( 0.517 3.357 0.375) 3.418 2.046 ( -3.812 -3.372 2.171) 5.533 2.046 ( 3.812 -3.372 2.171) 5.533 2.217 ( -6.210 8.093 0.937) 10.244 2.217 ( 6.210 8.093 0.937) 10.244 2.402 ( -3.210 -10.431 -0.679) 10.935 2.402 ( 3.210 -10.431 -0.679) 10.935 2.658 ( -2.782 0.667 0.851) 2.985 2.658 ( 2.782 0.667 0.851) 2.985 2.724 ( -0.862 -5.637 -1.778) 5.973 2.724 ( 0.862 -5.637 -1.778) 5.973 2.996 ( -5.367 2.523 -0.167) 5.933 2.996 ( 5.367 2.523 -0.167) 5.933 3.021 ( -6.522 -0.318 -0.417) 6.543 3.021 ( 6.522 -0.318 -0.417) 6.543 3.292 ( -3.362 4.001 1.449) 5.423 3.292 ( 3.362 4.001 1.449) 5.423 3.355 ( -2.016 -2.898 0.762) 3.612 3.355 ( 2.016 -2.898 0.762) 3.612 4.046 ( -16.295 1.670 0.007) 16.381 4.046 ( 16.295 1.670 0.007) 16.381 4.081 ( -15.527 -2.005 -0.523) 15.664 4.081 ( 15.527 -2.005 -0.523) 15.664 4.387 ( -4.519 1.909 -7.832) 9.242 4.387 ( 4.519 1.909 -7.832) 9.242 4.409 ( -5.223 -0.503 -7.586) 9.224 4.409 ( 5.223 -0.503 -7.586) 9.224 5.226 ( -15.412 2.496 -3.519) 16.005 5.226 ( 15.412 2.496 -3.519) 16.005 5.274 ( -16.067 -2.608 -3.383) 16.625 5.274 ( 16.067 -2.608 -3.383) 16.625 5.759 ( -3.092 5.384 5.999) 8.633 5.759 ( 3.092 5.384 5.999) 8.633 5.855 ( -3.136 -4.742 5.841) 8.151 5.855 ( 3.136 -4.742 5.841) 8.151 7.412 ( -7.933 0.589 1.957) 8.192 7.412 ( 7.933 0.589 1.957) 8.192 7.431 ( -6.820 -1.534 1.773) 7.212 7.431 ( 6.820 -1.534 1.773) 7.212 11.139 ( -4.803 2.945 0.103) 5.635 11.139 ( 4.803 2.945 0.103) 5.635 11.190 ( -7.936 -2.479 0.029) 8.315 11.190 ( 7.936 -2.479 0.029) 8.315 12.155 ( -15.187 7.370 0.863) 16.903 12.155 ( 15.187 7.370 0.863) 16.903 12.301 ( -9.268 -8.157 -0.621) 12.362 12.301 ( 9.268 -8.157 -0.621) 12.362 13.565 ( -10.933 8.510 -1.979) 13.995 13.565 ( 10.933 8.510 -1.979) 13.995 13.696 ( -3.064 -5.404 -2.565) 6.721 13.696 ( 3.064 -5.404 -2.565) 6.721 14.052 ( -3.037 4.460 -0.779) 5.452 14.052 ( 3.037 4.460 -0.779) 5.452 14.160 ( -5.017 -7.024 -2.725) 9.052 14.160 ( 5.017 -7.024 -2.725) 9.052 17.085 ( -4.280 0.929 2.884) 5.244 17.085 ( 4.280 0.929 2.884) 5.244 17.104 ( -4.946 -1.083 2.494) 5.644 17.104 ( 4.946 -1.083 2.494) 5.644 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 0.000 12.253) 12.253 0.737 ( 0.000 0.000 17.318) 17.318 1.156 ( 0.000 0.000 26.051) 26.051 1.217 ( 0.000 0.000 -12.492) 12.492 1.314 ( 0.000 0.000 0.927) 0.927 1.335 ( 0.000 0.000 5.063) 5.063 1.443 ( 0.000 0.000 8.283) 8.283 1.510 ( 0.000 0.000 5.675) 5.675 1.743 ( 0.000 0.000 -7.622) 7.622 1.813 ( 0.000 0.000 -6.240) 6.240 1.928 ( 0.000 0.000 -6.999) 6.999 1.978 ( 0.000 0.000 -2.824) 2.824 2.055 ( 0.000 0.000 2.020) 2.020 2.125 ( 0.000 0.000 -3.506) 3.506 2.168 ( 0.000 0.000 -3.563) 3.563 2.387 ( 0.000 0.000 -1.729) 1.729 2.443 ( 0.000 0.000 5.690) 5.690 2.477 ( 0.000 0.000 -10.300) 10.300 2.502 ( 0.000 0.000 2.808) 2.808 2.524 ( 0.000 0.000 6.231) 6.231 2.720 ( 0.000 0.000 3.837) 3.837 2.770 ( 0.000 0.000 -10.136) 10.136 2.774 ( 0.000 0.000 8.026) 8.026 2.804 ( 0.000 0.000 -1.702) 1.702 2.820 ( 0.000 0.000 -4.075) 4.075 2.875 ( 0.000 0.000 0.641) 0.641 2.878 ( 0.000 0.000 5.843) 5.843 3.073 ( 0.000 0.000 1.382) 1.382 3.099 ( 0.000 0.000 -0.161) 0.161 3.135 ( 0.000 0.000 -2.703) 2.703 3.321 ( 0.000 0.000 -2.484) 2.484 3.362 ( 0.000 0.000 -2.605) 2.605 3.503 ( 0.000 0.000 -0.418) 0.418 3.545 ( 0.000 0.000 0.230) 0.230 3.640 ( 0.000 0.000 -0.887) 0.887 3.666 ( 0.000 0.000 -4.024) 4.024 4.009 ( 0.000 0.000 11.349) 11.349 4.017 ( 0.000 0.000 11.731) 11.731 4.123 ( 0.000 0.000 -0.617) 0.617 4.343 ( 0.000 0.000 -7.880) 7.880 4.689 ( 0.000 0.000 -7.215) 7.215 4.719 ( 0.000 0.000 -7.165) 7.165 5.560 ( 0.000 0.000 -7.219) 7.219 5.614 ( 0.000 0.000 -7.625) 7.625 5.998 ( 0.000 0.000 -2.825) 2.825 6.029 ( 0.000 0.000 -4.559) 4.559 6.366 ( 0.000 0.000 3.812) 3.812 6.475 ( 0.000 0.000 0.518) 0.518 6.808 ( 0.000 0.000 10.000) 10.000 6.822 ( 0.000 0.000 9.692) 9.692 7.999 ( 0.000 0.000 7.044) 7.044 8.398 ( 0.000 0.000 -4.771) 4.771 8.866 ( 0.000 0.000 0.071) 0.071 8.870 ( 0.000 0.000 -0.037) 0.037 10.467 ( 0.000 0.000 1.441) 1.441 10.566 ( 0.000 0.000 -1.556) 1.556 10.719 ( 0.000 0.000 0.195) 0.195 10.728 ( 0.000 0.000 -0.085) 0.085 12.281 ( 0.000 0.000 10.442) 10.442 13.028 ( 0.000 0.000 -11.228) 11.228 13.151 ( 0.000 0.000 0.685) 0.685 13.246 ( 0.000 0.000 -2.658) 2.658 13.484 ( 0.000 0.000 0.156) 0.156 13.492 ( 0.000 0.000 0.046) 0.046 14.165 ( 0.000 0.000 0.198) 0.198 14.233 ( 0.000 0.000 -3.008) 3.008 14.644 ( 0.000 0.000 4.972) 4.972 14.877 ( 0.000 0.000 -2.596) 2.596 17.006 ( 0.000 0.000 7.612) 7.612 17.272 ( 0.000 0.000 -1.460) 1.460 17.533 ( 0.000 0.000 4.566) 4.566 17.800 ( 0.000 0.000 -2.970) 2.970 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 4.908 0.000 11.146) 12.179 0.765 ( -0.490 0.000 17.526) 17.533 1.249 ( 3.093 0.000 -11.390) 11.802 1.353 ( 0.640 0.000 2.889) 2.959 1.395 ( 1.877 0.000 6.709) 6.967 1.438 ( 20.268 0.000 14.932) 25.174 1.540 ( 1.557 0.000 2.688) 3.106 1.561 ( 18.038 0.000 -0.689) 18.052 1.682 ( 0.207 0.000 -3.246) 3.253 1.870 ( -3.929 0.000 -1.520) 4.213 1.885 ( 1.599 0.000 -2.770) 3.198 2.020 ( 3.279 0.000 -1.329) 3.538 2.021 ( -3.124 0.000 1.613) 3.516 2.130 ( 0.306 0.000 -2.248) 2.269 2.203 ( 3.538 0.000 -6.843) 7.704 2.350 ( -4.430 0.000 3.599) 5.707 2.352 ( -6.182 0.000 0.372) 6.193 2.408 ( -6.588 0.000 -2.147) 6.929 2.477 ( -2.232 0.000 -3.280) 3.967 2.532 ( 0.085 0.000 5.636) 5.636 2.619 ( -7.024 0.000 3.056) 7.660 2.732 ( -4.134 0.000 -3.028) 5.124 2.762 ( -2.565 0.000 -1.248) 2.853 2.791 ( -0.575 0.000 4.822) 4.856 2.875 ( 5.093 0.000 -10.082) 11.296 2.901 ( 1.985 0.000 3.212) 3.776 2.924 ( 3.714 0.000 4.354) 5.723 3.048 ( -1.744 0.000 0.835) 1.933 3.127 ( 1.583 0.000 -0.772) 1.761 3.130 ( 0.001 0.000 -3.165) 3.165 3.385 ( -4.384 0.000 3.945) 5.898 3.448 ( 12.147 0.000 -1.874) 12.291 3.511 ( 13.376 0.000 -2.440) 13.596 3.523 ( -2.500 0.000 -1.791) 3.075 3.559 ( -4.611 0.000 0.277) 4.619 3.616 ( -3.320 0.000 -1.685) 3.723 4.138 ( 1.467 0.000 -1.356) 1.998 4.175 ( 11.916 0.000 7.049) 13.845 4.213 ( 15.017 0.000 7.551) 16.809 4.343 ( -0.027 0.000 -8.182) 8.182 4.665 ( -1.951 0.000 -4.892) 5.267 4.729 ( -0.299 0.000 -4.472) 4.482 5.529 ( -2.435 0.000 -6.238) 6.697 5.593 ( -1.547 0.000 -6.843) 7.016 5.953 ( -8.278 0.000 -6.563) 10.564 5.980 ( -4.420 0.000 -7.228) 8.473 6.491 ( 12.324 0.000 3.574) 12.832 6.656 ( 14.349 0.000 -3.836) 14.852 6.716 ( -8.878 0.000 10.220) 13.537 6.744 ( -6.529 0.000 9.530) 11.552 7.971 ( -2.720 0.000 6.512) 7.057 8.175 ( -13.871 0.000 4.746) 14.661 9.140 ( 26.364 0.000 0.705) 26.373 9.199 ( 28.714 0.000 -0.914) 28.728 10.537 ( 6.618 0.000 1.606) 6.810 10.655 ( 8.315 0.000 -1.928) 8.536 11.053 ( 30.765 0.000 1.259) 30.791 11.539 ( 58.252 0.000 -25.411) 63.553 12.230 ( -4.749 0.000 10.063) 11.127 12.953 ( -7.160 0.000 -11.083) 13.195 13.087 ( -6.269 0.000 0.742) 6.313 13.177 ( -6.640 0.000 -2.150) 6.979 13.507 ( 2.251 0.000 0.287) 2.269 13.520 ( 2.579 0.000 -0.124) 2.582 14.148 ( -1.655 0.000 0.289) 1.680 14.215 ( -1.827 0.000 -2.811) 3.353 14.594 ( -4.681 0.000 4.738) 6.661 14.810 ( -6.123 0.000 -1.742) 6.366 17.010 ( 0.414 0.000 7.049) 7.061 17.255 ( -1.579 0.000 -1.234) 2.004 17.487 ( -4.689 0.000 4.707) 6.644 17.611 ( -13.623 0.000 4.743) 14.425 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 10.447 0.000 8.867) 13.703 0.762 ( 2.477 0.000 8.852) 9.192 1.331 ( 3.740 0.000 -5.540) 6.684 1.351 ( -1.755 0.000 -3.502) 3.917 1.354 ( 0.690 0.000 -3.293) 3.364 1.553 ( 0.719 0.000 -4.404) 4.463 1.763 ( -0.514 0.000 -1.822) 1.893 1.775 ( 6.177 0.000 4.498) 7.642 1.833 ( 6.031 0.000 3.478) 6.962 1.863 ( -2.722 0.000 2.255) 3.535 1.897 ( 1.602 0.000 13.540) 13.634 1.941 ( -3.962 0.000 0.664) 4.017 2.098 ( -3.658 0.000 -0.126) 3.660 2.105 ( 2.462 0.000 -0.737) 2.570 2.223 ( -5.952 0.000 -1.181) 6.068 2.252 ( 3.569 0.000 1.587) 3.906 2.309 ( 5.726 0.000 -10.919) 12.330 2.321 ( -4.904 0.000 0.745) 4.960 2.377 ( -6.990 0.000 0.179) 6.993 2.494 ( 0.494 0.000 5.932) 5.953 2.560 ( 4.749 0.000 3.556) 5.933 2.642 ( -4.016 0.000 -7.624) 8.617 2.744 ( 1.067 0.000 -1.235) 1.632 2.786 ( 0.194 0.000 5.864) 5.867 2.922 ( -0.013 0.000 2.893) 2.893 2.948 ( 0.890 0.000 -4.197) 4.290 3.008 ( 3.875 0.000 3.286) 5.081 3.023 ( -0.989 0.000 -1.482) 1.782 3.146 ( 0.378 0.000 -0.792) 0.877 3.163 ( 3.892 0.000 -5.485) 6.725 3.363 ( 0.414 0.000 2.583) 2.616 3.497 ( 0.151 0.000 -0.172) 0.228 3.517 ( 1.678 0.000 0.785) 1.853 3.576 ( 1.264 0.000 -4.431) 4.608 3.760 ( 15.588 0.000 -2.544) 15.795 3.824 ( 15.031 0.000 -3.277) 15.384 4.183 ( 2.751 0.000 -3.717) 4.624 4.341 ( -0.288 0.000 -8.952) 8.956 4.412 ( 8.285 0.000 -0.439) 8.297 4.500 ( 6.804 0.000 -0.915) 6.865 4.628 ( 3.413 0.000 3.493) 4.883 4.710 ( 0.250 0.000 2.947) 2.958 5.502 ( 1.005 0.000 -2.631) 2.817 5.580 ( 1.081 0.000 -3.887) 4.035 5.713 ( -13.896 0.000 -6.831) 15.484 5.807 ( -11.714 0.000 -9.662) 15.185 6.489 ( -12.455 0.000 10.330) 16.182 6.555 ( -11.619 0.000 8.475) 14.382 6.811 ( 17.226 0.000 1.723) 17.312 6.957 ( 14.114 0.000 -5.082) 15.002 7.882 ( -6.080 0.000 5.422) 8.147 7.934 ( -10.089 0.000 7.185) 12.386 9.858 ( 40.554 0.000 0.958) 40.565 9.934 ( 39.786 0.000 -1.229) 39.805 10.726 ( 11.240 0.000 2.051) 11.425 10.886 ( 13.357 0.000 -2.711) 13.629 11.854 ( 43.577 0.000 2.588) 43.653 12.096 ( -7.834 0.000 9.087) 11.998 12.624 ( 44.114 0.000 -29.795) 53.233 12.749 ( -11.996 0.000 -10.202) 15.747 12.887 ( -13.387 0.000 0.895) 13.416 12.973 ( -13.187 0.000 -1.589) 13.283 13.574 ( 4.043 0.000 0.286) 4.053 13.587 ( 3.530 0.000 -0.350) 3.548 14.098 ( -3.164 0.000 0.601) 3.220 14.158 ( -3.646 0.000 -2.030) 4.173 14.459 ( -8.220 0.000 3.452) 8.915 14.643 ( -9.763 0.000 -1.481) 9.875 17.028 ( 1.546 0.000 5.597) 5.807 17.212 ( -2.395 0.000 -0.188) 2.403 17.320 ( -8.863 0.000 9.232) 12.797 17.416 ( -6.432 0.000 2.871) 7.044 ======================= Grid point 93 (34/60) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 12.501 0.000 0.211) 12.503 1.004 ( 12.815 0.000 6.519) 14.378 1.341 ( -0.830 0.000 0.733) 1.107 1.357 ( 2.137 0.000 -7.815) 8.102 1.436 ( 4.244 0.000 -6.853) 8.060 1.557 ( -1.549 0.000 -4.171) 4.449 1.621 ( -13.485 0.000 0.183) 13.486 1.736 ( -9.535 0.000 -0.300) 9.539 1.771 ( -2.239 0.000 4.411) 4.947 1.876 ( -2.528 0.000 0.216) 2.537 1.886 ( 2.202 0.000 8.777) 9.049 1.923 ( 5.138 0.000 2.153) 5.571 2.001 ( -4.412 0.000 -1.279) 4.593 2.113 ( -4.392 0.000 -0.920) 4.488 2.136 ( 2.549 0.000 3.712) 4.503 2.154 ( -8.361 0.000 3.431) 9.038 2.224 ( -7.071 0.000 1.683) 7.268 2.292 ( -2.734 0.000 -0.701) 2.822 2.417 ( 4.559 0.000 -11.307) 12.191 2.569 ( -3.319 0.000 -8.182) 8.829 2.673 ( 7.748 0.000 4.196) 8.811 2.724 ( 7.524 0.000 0.303) 7.530 2.805 ( 3.842 0.000 1.627) 4.173 2.806 ( 1.755 0.000 5.089) 5.383 2.901 ( -1.930 0.000 3.003) 3.569 2.930 ( -1.951 0.000 -1.917) 2.735 3.030 ( 3.879 0.000 -1.501) 4.159 3.077 ( 2.805 0.000 2.095) 3.501 3.145 ( -0.484 0.000 0.149) 0.507 3.245 ( 1.377 0.000 0.247) 1.399 3.346 ( -0.444 0.000 -1.686) 1.743 3.466 ( -2.878 0.000 1.309) 3.161 3.685 ( 14.868 0.000 -0.470) 14.875 3.766 ( 15.316 0.000 -3.532) 15.718 4.020 ( 9.400 0.000 -5.476) 10.879 4.082 ( 9.572 0.000 -5.689) 11.135 4.226 ( 0.680 0.000 -6.662) 6.697 4.322 ( -1.845 0.000 -9.169) 9.353 4.355 ( -11.211 0.000 0.168) 11.212 4.411 ( -10.532 0.000 -0.956) 10.575 4.834 ( 12.031 0.000 1.710) 12.152 4.899 ( 14.282 0.000 0.243) 14.285 5.415 ( -14.344 0.000 -6.353) 15.688 5.530 ( -14.517 0.000 -9.276) 17.227 5.600 ( 8.344 0.000 2.903) 8.835 5.660 ( 6.557 0.000 1.241) 6.674 6.225 ( -12.576 0.000 8.866) 15.387 6.285 ( -13.907 0.000 7.101) 15.615 7.161 ( 16.266 0.000 1.444) 16.330 7.236 ( 13.085 0.000 -2.099) 13.252 7.714 ( -10.147 0.000 4.447) 11.079 7.731 ( -10.174 0.000 4.792) 11.246 10.678 ( 35.070 0.000 0.509) 35.074 10.720 ( 33.371 0.000 -0.826) 33.381 10.975 ( 12.379 0.000 2.641) 12.657 11.158 ( 11.391 0.000 -2.856) 11.744 11.948 ( -4.593 0.000 7.678) 8.947 12.496 ( -11.860 0.000 -7.642) 14.109 12.529 ( -20.542 0.000 0.573) 20.550 12.656 ( -16.339 0.000 -2.305) 16.500 12.724 ( 38.670 0.000 2.790) 38.770 13.343 ( 25.588 0.000 -17.695) 31.110 13.626 ( -0.710 0.000 -0.780) 1.055 13.668 ( 4.179 0.000 -0.765) 4.249 14.024 ( -3.629 0.000 1.209) 3.826 14.070 ( -4.581 0.000 -0.494) 4.607 14.273 ( -8.552 0.000 0.221) 8.555 14.419 ( -11.584 0.000 -3.883) 12.217 17.077 ( 3.116 0.000 3.909) 4.999 17.166 ( -1.698 0.000 1.954) 2.588 17.194 ( -3.624 0.000 6.354) 7.315 17.288 ( -5.954 0.000 2.023) 6.288 ======================= Grid point 94 (35/60) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -15.877 0.000 -3.348) 16.226 1.230 ( 15.877 0.000 -3.348) 16.226 1.246 ( -9.335 0.000 3.635) 10.018 1.246 ( 9.335 0.000 3.635) 10.018 1.501 ( -2.520 0.000 -3.538) 4.344 1.501 ( 2.520 0.000 -3.538) 4.344 1.535 ( -7.771 0.000 -3.319) 8.450 1.535 ( 7.771 0.000 -3.319) 8.450 1.800 ( -4.051 0.000 1.477) 4.312 1.800 ( 4.051 0.000 1.477) 4.312 1.969 ( -1.117 0.000 -3.374) 3.554 1.969 ( 1.117 0.000 -3.374) 3.554 1.989 ( -6.990 0.000 6.452) 9.513 1.989 ( 6.990 0.000 6.452) 9.513 2.103 ( -4.148 0.000 2.896) 5.059 2.103 ( 4.148 0.000 2.896) 5.059 2.213 ( -4.241 0.000 2.902) 5.139 2.213 ( 4.241 0.000 2.902) 5.139 2.499 ( -3.576 0.000 -9.633) 10.275 2.499 ( 3.576 0.000 -9.633) 10.275 2.765 ( -2.482 0.000 -0.835) 2.618 2.765 ( 2.482 0.000 -0.835) 2.618 2.852 ( -2.541 0.000 3.989) 4.730 2.852 ( 2.541 0.000 3.989) 4.730 2.875 ( -3.463 0.000 -1.082) 3.628 2.875 ( 3.463 0.000 -1.082) 3.628 3.123 ( -1.683 0.000 1.095) 2.008 3.123 ( 1.683 0.000 1.095) 2.008 3.168 ( -6.907 0.000 2.804) 7.455 3.168 ( 6.907 0.000 2.804) 7.455 3.397 ( -3.650 0.000 -2.025) 4.174 3.397 ( 3.650 0.000 -2.025) 4.174 4.046 ( -17.355 0.000 1.780) 17.446 4.046 ( 17.355 0.000 1.780) 17.446 4.117 ( -16.470 0.000 -0.348) 16.473 4.117 ( 16.470 0.000 -0.348) 16.473 4.157 ( -3.647 0.000 -8.022) 8.812 4.157 ( 3.647 0.000 -8.022) 8.812 4.257 ( -4.141 0.000 -7.544) 8.606 4.257 ( 4.141 0.000 -7.544) 8.606 5.081 ( -8.324 0.000 -4.689) 9.553 5.081 ( 8.324 0.000 -4.689) 9.553 5.246 ( -9.554 0.000 -4.962) 10.766 5.246 ( 9.554 0.000 -4.962) 10.766 5.762 ( -2.230 0.000 6.015) 6.415 5.762 ( 2.230 0.000 6.015) 6.415 6.064 ( -2.456 0.000 5.853) 6.347 6.064 ( 2.456 0.000 5.853) 6.347 7.457 ( -7.181 0.000 2.547) 7.620 7.457 ( 7.181 0.000 2.547) 7.620 7.512 ( -5.904 0.000 1.762) 6.161 7.512 ( 5.904 0.000 1.762) 6.161 11.077 ( -0.694 0.000 0.410) 0.806 11.077 ( 0.694 0.000 0.410) 0.806 11.239 ( -7.725 0.000 0.077) 7.725 11.239 ( 7.725 0.000 0.077) 7.725 12.066 ( -18.495 0.000 4.161) 18.957 12.066 ( 18.495 0.000 4.161) 18.957 12.405 ( -4.433 0.000 -5.639) 7.173 12.405 ( 4.433 0.000 -5.639) 7.173 13.370 ( -21.935 0.000 2.211) 22.046 13.370 ( 21.935 0.000 2.211) 22.046 13.699 ( -3.998 0.000 -5.940) 7.160 13.699 ( 3.998 0.000 -5.940) 7.160 13.996 ( -1.928 0.000 1.040) 2.190 13.996 ( 1.928 0.000 1.040) 2.190 14.216 ( -5.221 0.000 -5.432) 7.535 14.216 ( 5.221 0.000 -5.432) 7.535 17.138 ( -1.801 0.000 3.314) 3.772 17.138 ( 1.801 0.000 3.314) 3.772 17.182 ( -3.500 0.000 2.963) 4.586 17.182 ( 3.500 0.000 2.963) 4.586 ======================= Grid point 99 (36/60) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 0.000 9.883 11.415) 15.099 0.770 ( 0.000 3.483 15.994) 16.369 1.156 ( 0.000 -7.615 7.690) 10.822 1.263 ( 0.000 -7.160 2.061) 7.450 1.283 ( 0.000 11.927 18.784) 22.251 1.386 ( 0.000 7.995 -6.344) 10.206 1.481 ( 0.000 8.351 2.519) 8.723 1.563 ( 0.000 5.748 3.597) 6.781 1.808 ( 0.000 -1.641 -5.872) 6.098 1.832 ( 0.000 5.074 -3.717) 6.290 1.944 ( 0.000 2.100 -7.626) 7.910 1.951 ( 0.000 -1.380 -3.404) 3.674 2.081 ( 0.000 0.704 0.346) 0.784 2.130 ( 0.000 0.870 -0.632) 1.075 2.194 ( 0.000 2.144 -2.380) 3.203 2.314 ( 0.000 -8.323 -6.724) 10.700 2.439 ( 0.000 -2.352 3.492) 4.210 2.462 ( 0.000 2.122 4.911) 5.350 2.506 ( 0.000 -2.437 6.009) 6.484 2.507 ( 0.000 0.866 -4.233) 4.320 2.665 ( 0.000 -6.984 0.946) 7.048 2.715 ( 0.000 -0.352 2.912) 2.933 2.781 ( 0.000 -2.192 2.125) 3.053 2.808 ( 0.000 -2.271 1.049) 2.502 2.822 ( 0.000 0.174 -4.445) 4.448 2.844 ( 0.000 -2.539 -2.013) 3.240 2.857 ( 0.000 -0.652 0.652) 0.922 2.970 ( 0.000 -5.105 0.176) 5.108 3.092 ( 0.000 1.759 2.585) 3.127 3.258 ( 0.000 3.863 -2.271) 4.481 3.329 ( 0.000 0.656 -2.403) 2.491 3.390 ( 0.000 2.888 -2.966) 4.140 3.466 ( 0.000 -5.494 -0.865) 5.562 3.558 ( 0.000 -0.000 -2.001) 2.001 3.595 ( 0.000 -0.850 -1.507) 1.730 3.660 ( 0.000 -0.027 -3.788) 3.788 4.010 ( 0.000 0.146 11.318) 11.319 4.016 ( 0.000 -0.059 11.421) 11.421 4.165 ( 0.000 3.958 -0.921) 4.064 4.335 ( 0.000 -0.970 -6.935) 7.002 4.691 ( 0.000 0.191 -7.141) 7.144 4.712 ( 0.000 -0.578 -6.954) 6.978 5.581 ( 0.000 1.710 -8.339) 8.513 5.615 ( 0.000 0.147 -7.814) 7.815 6.001 ( 0.000 0.262 -2.963) 2.975 6.025 ( 0.000 -0.402 -4.319) 4.337 6.362 ( 0.000 -0.252 3.572) 3.581 6.430 ( 0.000 -3.220 2.164) 3.880 6.887 ( 0.000 6.567 10.269) 12.189 6.930 ( 0.000 10.123 7.270) 12.463 7.968 ( 0.000 -3.039 6.510) 7.184 8.227 ( 0.000 -15.268 2.029) 15.402 8.867 ( 0.000 0.076 0.068) 0.102 8.870 ( 0.000 0.004 -0.020) 0.021 10.482 ( 0.000 1.480 1.309) 1.976 10.568 ( 0.000 -0.203 -1.242) 1.258 10.720 ( 0.000 0.145 0.187) 0.236 10.727 ( 0.000 -0.064 -0.042) 0.076 12.468 ( 0.000 16.890 -0.413) 16.895 13.011 ( 0.000 -2.091 -11.813) 11.997 13.159 ( 0.000 0.828 0.528) 0.983 13.235 ( 0.000 -1.149 -2.244) 2.521 13.497 ( 0.000 1.285 0.228) 1.305 13.503 ( 0.000 1.103 -0.007) 1.103 14.171 ( 0.000 0.704 0.112) 0.713 14.230 ( 0.000 -0.385 -2.733) 2.760 14.649 ( 0.000 0.788 4.752) 4.817 14.838 ( 0.000 -3.926 -1.089) 4.075 17.036 ( 0.000 3.349 8.258) 8.911 17.291 ( 0.000 2.098 -1.134) 2.385 17.505 ( 0.000 -2.903 3.880) 4.846 17.631 ( 0.000 -15.501 4.319) 16.092 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.12 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 2.778 6.391 12.015) 13.889 0.895 ( 3.674 13.200 12.428) 18.498 1.223 ( 0.394 -10.826 3.841) 11.494 1.342 ( 7.698 -1.378 0.861) 7.867 1.370 ( 3.043 6.210 -5.120) 8.605 1.489 ( 14.707 7.192 12.340) 20.501 1.553 ( 7.153 3.443 1.794) 8.139 1.642 ( 9.550 6.460 2.025) 11.706 1.768 ( -1.529 3.814 -1.366) 4.331 1.824 ( -1.676 -0.233 -4.175) 4.505 1.918 ( 0.315 0.405 -2.187) 2.247 2.014 ( 2.766 0.142 -2.595) 3.795 2.048 ( -2.682 1.331 1.922) 3.557 2.134 ( 0.169 0.607 -0.353) 0.722 2.218 ( 2.367 1.145 -5.015) 5.662 2.306 ( -0.751 -6.630 -5.143) 8.425 2.341 ( -7.263 -0.559 3.521) 8.091 2.406 ( -5.850 1.587 1.994) 6.381 2.476 ( -3.073 -0.519 -0.521) 3.159 2.521 ( 0.178 -0.818 3.989) 4.076 2.625 ( -5.975 -0.523 2.376) 6.451 2.680 ( -1.440 -5.719 3.299) 6.758 2.736 ( -2.609 -1.431 -3.617) 4.684 2.769 ( -3.333 -0.464 -0.429) 3.392 2.837 ( 0.491 -4.198 -0.224) 4.233 2.849 ( 1.856 -5.649 1.781) 6.207 2.923 ( 4.343 0.063 -3.301) 5.455 2.999 ( 2.584 -4.752 -1.840) 5.714 3.081 ( -0.154 2.832 2.722) 3.931 3.264 ( -1.016 3.628 -2.360) 4.446 3.367 ( -1.969 -0.681 2.898) 3.570 3.464 ( 9.961 1.515 -2.119) 10.296 3.508 ( 11.873 -0.164 -2.095) 12.058 3.529 ( -2.547 -0.310 -5.227) 5.823 3.555 ( -1.852 -0.027 0.925) 2.070 3.604 ( -2.920 -0.092 -1.193) 3.155 4.148 ( 5.550 0.794 1.405) 5.780 4.181 ( 11.496 0.115 6.544) 13.229 4.224 ( 10.573 1.806 4.345) 11.573 4.339 ( 0.574 -0.507 -6.947) 6.989 4.670 ( -1.755 0.571 -4.809) 5.151 4.721 ( -0.299 -0.804 -4.464) 4.546 5.545 ( -2.591 1.513 -6.771) 7.406 5.595 ( -1.620 0.080 -7.072) 7.256 5.954 ( -7.742 0.135 -6.569) 10.154 5.976 ( -4.751 -0.369 -6.904) 8.389 6.468 ( 9.604 -1.656 3.834) 10.472 6.549 ( 7.779 -5.736 2.170) 9.906 6.794 ( -7.005 7.294 10.203) 14.365 6.890 ( -2.136 9.195 4.429) 10.427 7.942 ( -2.500 -2.839 6.075) 7.156 8.075 ( -10.013 -9.321 6.360) 15.086 9.153 ( 26.760 1.145 0.371) 26.787 9.199 ( 28.641 -0.088 -0.886) 28.655 10.553 ( 6.742 1.580 1.374) 7.059 10.648 ( 8.066 -0.766 -1.475) 8.236 11.067 ( 31.561 1.552 1.009) 31.615 11.389 ( 48.388 -11.386 -12.054) 51.150 12.441 ( -1.397 17.119 -4.036) 17.644 12.939 ( -6.851 -1.746 -11.680) 13.653 13.095 ( -6.238 0.860 0.579) 6.323 13.168 ( -6.480 -0.957 -1.884) 6.816 13.516 ( 2.034 0.998 0.400) 2.301 13.530 ( 2.408 0.889 -0.087) 2.569 14.154 ( -1.664 0.695 0.211) 1.815 14.212 ( -1.800 -0.370 -2.548) 3.141 14.598 ( -4.817 0.617 4.519) 6.633 14.773 ( -5.985 -3.756 -0.496) 7.083 17.035 ( 0.024 2.831 7.652) 8.159 17.272 ( -1.805 1.813 -0.899) 2.712 17.452 ( -6.323 -4.694 5.928) 9.857 17.510 ( -7.679 -8.356 5.746) 12.721 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 5.574 3.163 6.764) 9.318 0.950 ( 4.810 16.144 7.473) 18.428 1.218 ( 0.340 -10.247 -2.416) 10.534 1.390 ( 0.661 4.734 0.689) 4.829 1.446 ( 3.984 9.323 -8.885) 13.480 1.650 ( 0.510 6.340 -4.130) 7.584 1.710 ( 2.151 -5.137 3.348) 6.498 1.755 ( 2.719 -0.753 0.777) 2.926 1.853 ( 0.697 0.801 6.446) 6.532 1.858 ( 1.858 1.196 1.758) 2.824 1.932 ( -1.177 3.612 4.961) 6.248 1.989 ( -3.581 2.507 2.936) 5.266 2.065 ( -0.560 -2.169 -0.833) 2.390 2.113 ( -1.674 0.239 1.376) 2.180 2.223 ( 0.432 -0.794 -0.908) 1.281 2.261 ( -3.012 1.300 -1.892) 3.787 2.319 ( 2.347 -0.190 -7.491) 7.853 2.321 ( 1.791 0.001 1.930) 2.633 2.362 ( -6.714 -0.789 0.249) 6.765 2.476 ( -2.285 -0.823 4.167) 4.824 2.554 ( 5.084 -0.435 2.712) 5.779 2.634 ( -2.852 -2.740 -2.257) 4.554 2.719 ( -0.779 -3.417 3.490) 4.946 2.737 ( 1.993 -2.288 -3.394) 4.553 2.840 ( -0.346 -5.262 1.009) 5.369 2.871 ( 0.567 -8.676 0.349) 8.702 2.991 ( 1.741 1.210 0.064) 2.122 3.082 ( 4.697 -1.693 -2.498) 5.583 3.110 ( 2.784 3.635 0.649) 4.625 3.246 ( -0.218 2.856 -1.783) 3.374 3.375 ( 1.674 1.997 0.594) 2.673 3.482 ( -0.063 -1.184 -1.225) 1.705 3.525 ( 0.493 0.753 0.507) 1.033 3.553 ( 1.465 -2.109 -4.168) 4.896 3.777 ( 15.240 1.523 -2.765) 15.564 3.823 ( 15.070 -0.081 -3.205) 15.407 4.209 ( 2.560 2.527 -4.235) 5.557 4.333 ( 0.304 -0.881 -8.222) 8.275 4.423 ( 8.056 1.098 -0.663) 8.158 4.494 ( 6.944 -0.675 -1.058) 7.057 4.637 ( 2.912 0.887 3.433) 4.588 4.703 ( 0.450 -0.792 2.985) 3.121 5.518 ( 1.027 1.535 -2.927) 3.462 5.581 ( 1.099 -0.003 -3.952) 4.102 5.723 ( -13.500 1.047 -7.155) 15.315 5.799 ( -11.765 -0.813 -9.321) 15.032 6.486 ( -10.434 -0.292 9.648) 14.214 6.533 ( -9.335 -1.970 8.175) 12.563 6.850 ( 14.118 4.068 2.454) 14.896 6.985 ( 10.829 2.296 -3.370) 11.571 7.860 ( -5.737 -2.221 5.192) 8.050 7.888 ( -8.404 -4.283 7.098) 11.805 9.871 ( 40.304 1.282 0.683) 40.330 9.932 ( 39.752 -0.259 -1.087) 39.767 10.745 ( 11.416 1.957 1.659) 11.701 10.875 ( 13.162 -1.244 -2.187) 13.401 11.868 ( 41.987 1.519 2.615) 42.095 12.054 ( 5.346 -3.983 6.591) 9.375 12.660 ( 29.737 3.291 -25.807) 39.511 12.750 ( -10.251 0.017 -11.171) 15.161 12.897 ( -12.912 1.094 0.495) 12.968 12.967 ( -12.884 -0.586 -1.542) 12.989 13.580 ( 3.878 0.617 0.424) 3.949 13.594 ( 3.516 0.615 -0.215) 3.576 14.104 ( -3.154 0.697 0.517) 3.271 14.157 ( -3.471 -0.177 -1.874) 3.949 14.460 ( -8.469 0.231 3.269) 9.080 14.609 ( -9.666 -3.460 -0.612) 10.285 17.044 ( 1.060 1.749 6.071) 6.406 17.221 ( -3.000 0.573 0.992) 3.211 17.284 ( -6.920 -3.189 8.424) 11.358 17.390 ( -5.527 -2.475 2.358) 6.499 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.38 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 11.869 2.321 -0.353) 12.099 1.109 ( 9.418 9.472 4.829) 14.203 1.265 ( 4.264 -4.494 -4.481) 7.646 1.417 ( 1.692 4.738 -0.521) 5.058 1.516 ( 2.195 7.586 -6.755) 10.392 1.603 ( -11.648 -0.186 -2.229) 11.860 1.634 ( -4.740 5.014 -2.162) 7.230 1.697 ( -7.582 -3.280 1.301) 8.363 1.803 ( -1.650 2.351 3.741) 4.716 1.861 ( -0.437 -0.370 2.639) 2.700 1.884 ( 1.068 -0.889 1.511) 2.053 1.975 ( 1.477 4.090 3.297) 5.457 1.994 ( -2.023 0.132 0.992) 2.257 2.101 ( -3.399 -0.431 0.044) 3.427 2.124 ( -2.646 -1.420 3.495) 4.608 2.183 ( -7.676 0.965 1.054) 7.808 2.230 ( -3.685 1.481 1.271) 4.170 2.250 ( -4.626 -3.268 -0.434) 5.680 2.400 ( 4.231 -2.401 -8.363) 9.675 2.555 ( -3.213 -1.533 -4.411) 5.668 2.658 ( 4.112 -2.238 2.817) 5.463 2.677 ( 5.233 -3.155 -0.443) 6.127 2.767 ( 2.563 -3.313 -1.282) 4.380 2.796 ( 2.361 -4.871 0.098) 5.414 2.832 ( 2.739 -0.846 4.654) 5.466 2.922 ( 5.821 -6.181 0.907) 8.538 3.006 ( -0.215 4.167 1.978) 4.617 3.132 ( -1.039 -0.407 1.174) 1.619 3.159 ( 2.876 4.132 0.357) 5.047 3.281 ( 2.836 1.710 -2.985) 4.459 3.348 ( -2.868 1.215 0.313) 3.130 3.458 ( -3.016 -0.753 1.141) 3.311 3.676 ( 15.407 -0.565 -1.219) 15.465 3.749 ( 15.450 -1.722 -3.616) 15.960 4.037 ( 9.506 1.530 -5.547) 11.112 4.083 ( 9.731 0.057 -5.630) 11.243 4.244 ( 0.070 1.685 -7.004) 7.205 4.317 ( -2.434 -0.509 -8.341) 8.704 4.362 ( -10.677 0.762 -0.625) 10.722 4.409 ( -10.566 -0.273 -1.094) 10.626 4.841 ( 12.516 0.749 1.667) 12.649 4.895 ( 14.335 -0.477 0.504) 14.352 5.424 ( -14.338 0.938 -6.553) 15.792 5.516 ( -14.216 -1.348 -8.717) 16.730 5.623 ( 8.481 2.251 2.481) 9.119 5.674 ( 7.061 1.230 1.006) 7.238 6.226 ( -13.227 0.212 8.993) 15.996 6.276 ( -14.089 -0.915 7.524) 15.998 7.170 ( 15.448 0.966 1.392) 15.541 7.235 ( 12.516 -0.215 -1.585) 12.618 7.698 ( -9.719 -1.568 4.565) 10.851 7.710 ( -9.490 -1.974 4.436) 10.660 10.685 ( 34.941 0.714 0.438) 34.951 10.720 ( 33.753 -0.033 -0.651) 33.759 10.994 ( 11.933 2.012 2.082) 12.280 11.144 ( 11.344 -1.531 -2.362) 11.688 11.990 ( -4.011 4.510 6.778) 9.076 12.408 ( -2.667 -7.821 -3.259) 8.883 12.536 ( -20.747 1.183 1.121) 20.811 12.634 ( -15.185 -1.443 -1.437) 15.321 12.842 ( 28.169 9.525 -3.506) 29.942 13.308 ( 26.269 -3.992 -17.100) 31.597 13.637 ( -0.326 1.019 -0.239) 1.096 13.670 ( 3.773 0.192 -0.685) 3.840 14.031 ( -3.468 0.860 0.969) 3.702 14.075 ( -4.275 0.440 -0.704) 4.354 14.263 ( -9.508 -0.867 0.482) 9.560 14.385 ( -11.740 -3.535 -3.126) 12.653 17.083 ( 2.701 0.701 4.191) 5.035 17.165 ( -1.768 -0.760 4.538) 4.929 17.188 ( -3.026 0.123 3.519) 4.643 17.275 ( -5.521 -1.394 1.901) 6.004 ======================= Grid point 103 (40/60) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -10.210 0.815 -1.452) 10.345 1.218 ( 10.210 0.815 -1.452) 10.345 1.321 ( -5.146 4.796 0.433) 7.047 1.321 ( 5.146 4.796 0.433) 7.047 1.509 ( -7.327 -1.300 -2.265) 7.779 1.509 ( 7.327 -1.300 -2.265) 7.779 1.558 ( -1.732 4.966 -3.337) 6.229 1.558 ( 1.732 4.966 -3.337) 6.229 1.835 ( -3.688 3.404 1.021) 5.122 1.835 ( 3.688 3.404 1.021) 5.122 1.946 ( -6.030 -1.206 1.670) 6.372 1.946 ( 6.030 -1.206 1.670) 6.372 2.004 ( -3.503 -0.099 0.957) 3.633 2.004 ( 3.503 -0.099 0.957) 3.633 2.121 ( -2.862 1.702 3.397) 4.757 2.121 ( 2.862 1.702 3.397) 4.757 2.183 ( -2.691 -2.318 1.433) 3.830 2.183 ( 2.691 -2.318 1.433) 3.830 2.482 ( -3.740 -2.285 -5.795) 7.266 2.482 ( 3.740 -2.285 -5.795) 7.266 2.704 ( -1.598 -4.348 -1.479) 4.863 2.704 ( 1.598 -4.348 -1.479) 4.863 2.786 ( -0.430 -5.303 0.373) 5.333 2.786 ( 0.430 -5.303 0.373) 5.333 2.945 ( -4.292 4.144 1.247) 6.095 2.945 ( 4.292 4.144 1.247) 6.095 3.070 ( -4.871 -2.698 2.704) 6.190 3.070 ( 4.871 -2.698 2.704) 6.190 3.236 ( -4.471 4.334 0.856) 6.285 3.236 ( 4.471 4.334 0.856) 6.285 3.385 ( -3.919 -1.239 -1.814) 4.493 3.385 ( 3.919 -1.239 -1.814) 4.493 4.043 ( -17.501 -0.058 1.196) 17.541 4.043 ( 17.501 -0.058 1.196) 17.541 4.100 ( -15.894 -1.408 -0.911) 15.982 4.100 ( 15.894 -1.408 -0.911) 15.982 4.185 ( -4.379 2.271 -7.320) 8.827 4.185 ( 4.379 2.271 -7.320) 8.827 4.256 ( -4.091 -0.160 -7.612) 8.643 4.256 ( 4.091 -0.160 -7.612) 8.643 5.098 ( -8.576 1.805 -4.649) 9.921 5.098 ( 8.576 1.805 -4.649) 9.921 5.230 ( -9.559 -1.637 -4.827) 10.833 5.230 ( 9.559 -1.637 -4.827) 10.833 5.798 ( -2.227 3.730 6.068) 7.463 5.798 ( 2.227 3.730 6.068) 7.463 6.043 ( -2.419 -2.307 5.974) 6.845 6.043 ( 2.419 -2.307 5.974) 6.845 7.455 ( -6.969 -0.117 2.487) 7.400 7.455 ( 6.969 -0.117 2.487) 7.400 7.498 ( -5.785 -1.370 1.858) 6.229 7.498 ( 5.785 -1.370 1.858) 6.229 11.096 ( -1.440 1.941 0.305) 2.436 11.096 ( 1.440 1.941 0.305) 2.436 11.226 ( -7.170 -1.372 0.059) 7.300 11.226 ( 7.170 -1.372 0.059) 7.300 12.098 ( -17.157 3.301 3.504) 17.820 12.098 ( 17.157 3.301 3.504) 17.820 12.370 ( -5.773 -3.650 -4.242) 8.040 12.370 ( 5.773 -3.650 -4.242) 8.040 13.415 ( -20.134 4.678 0.812) 20.686 13.415 ( 20.134 4.678 0.812) 20.686 13.683 ( -5.539 -1.874 -5.630) 8.117 13.683 ( 5.539 -1.874 -5.630) 8.117 14.004 ( -1.733 1.012 0.672) 2.116 14.004 ( 1.733 1.012 0.672) 2.116 14.183 ( -4.468 -3.412 -4.495) 7.198 14.183 ( 4.468 -3.412 -4.495) 7.198 17.140 ( -1.983 0.233 3.253) 3.817 17.140 ( 1.983 0.233 3.253) 3.817 17.176 ( -3.372 -0.659 2.964) 4.538 17.176 ( 3.372 -0.659 2.964) 4.538 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 8.505 10.774) 13.726 0.856 ( 0.000 5.351 12.656) 13.741 1.016 ( 0.000 -6.447 9.470) 11.456 1.066 ( 0.000 -10.597 8.533) 13.606 1.568 ( 0.000 6.737 -2.319) 7.125 1.572 ( 0.000 11.544 3.840) 12.166 1.637 ( 0.000 13.133 10.291) 16.685 1.729 ( 0.000 8.019 -4.731) 9.311 1.758 ( 0.000 -2.356 -4.715) 5.271 1.850 ( 0.000 2.858 -5.123) 5.866 1.950 ( 0.000 -10.783 7.368) 13.060 1.982 ( 0.000 0.713 -8.132) 8.163 1.992 ( 0.000 -0.365 -5.106) 5.119 2.092 ( 0.000 -13.155 -5.833) 14.391 2.186 ( 0.000 3.718 0.851) 3.814 2.230 ( 0.000 -0.640 -1.232) 1.388 2.417 ( 0.000 0.056 5.866) 5.866 2.441 ( 0.000 -2.820 4.637) 5.427 2.529 ( 0.000 5.420 3.028) 6.209 2.542 ( 0.000 2.836 -5.362) 6.066 2.592 ( 0.000 -1.545 -1.783) 2.360 2.672 ( 0.000 -8.244 -0.214) 8.247 2.707 ( 0.000 -1.438 5.716) 5.895 2.719 ( 0.000 -3.016 4.923) 5.774 2.843 ( 0.000 2.127 -2.225) 3.078 2.845 ( 0.000 0.820 -2.768) 2.887 2.855 ( 0.000 -0.136 -2.383) 2.386 2.897 ( 0.000 -3.595 1.211) 3.794 3.143 ( 0.000 4.304 2.860) 5.167 3.246 ( 0.000 -5.396 0.494) 5.418 3.340 ( 0.000 0.504 -2.054) 2.115 3.358 ( 0.000 -2.708 -0.371) 2.733 3.449 ( 0.000 3.545 -5.122) 6.229 3.518 ( 0.000 -3.677 -4.871) 6.103 3.639 ( 0.000 3.192 -4.380) 5.419 3.669 ( 0.000 0.032 -3.936) 3.936 4.013 ( 0.000 0.172 11.240) 11.242 4.015 ( 0.000 -0.044 11.240) 11.240 4.243 ( 0.000 4.050 -2.413) 4.714 4.304 ( 0.000 -2.522 -4.728) 5.358 4.695 ( 0.000 0.316 -6.987) 6.995 4.702 ( 0.000 -0.459 -6.874) 6.890 5.607 ( 0.000 0.972 -8.898) 8.951 5.616 ( 0.000 -0.143 -8.367) 8.368 6.007 ( 0.000 0.462 -3.348) 3.380 6.017 ( 0.000 -0.514 -3.846) 3.881 6.363 ( 0.000 0.531 3.168) 3.213 6.384 ( 0.000 -1.778 2.841) 3.351 7.025 ( 0.000 6.923 10.444) 12.530 7.071 ( 0.000 3.188 7.818) 8.443 7.915 ( 0.000 -1.496 5.933) 6.119 7.976 ( 0.000 -9.433 6.587) 11.505 8.869 ( 0.000 0.081 0.051) 0.096 8.870 ( 0.000 -0.034 0.017) 0.038 10.516 ( 0.000 2.103 0.815) 2.255 10.551 ( 0.000 -1.584 -0.134) 1.590 10.723 ( 0.000 0.157 0.155) 0.220 10.726 ( 0.000 -0.112 0.063) 0.128 12.763 ( 0.000 13.394 -11.105) 17.398 12.939 ( 0.000 -6.239 -12.900) 14.330 13.179 ( 0.000 1.412 -0.011) 1.412 13.208 ( 0.000 -1.641 -1.092) 1.971 13.520 ( 0.000 0.908 0.134) 0.918 13.522 ( 0.000 0.699 -0.063) 0.702 14.191 ( 0.000 1.410 -0.522) 1.503 14.216 ( 0.000 -1.172 -1.783) 2.134 14.680 ( 0.000 2.821 3.833) 4.760 14.753 ( 0.000 -4.814 1.772) 5.130 17.136 ( 0.000 7.831 9.669) 12.443 17.313 ( 0.000 -6.854 4.855) 8.399 17.380 ( 0.000 -3.180 5.695) 6.522 17.436 ( 0.000 -4.262 2.385) 4.884 ======================= Grid point 109 (42/60) ======================= q-point: ( 0.12 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.894 9.052 10.172) 13.646 1.004 ( 0.898 -11.102 6.881) 13.093 1.136 ( 12.821 9.664 8.346) 18.095 1.266 ( 15.688 -5.222 6.065) 17.611 1.503 ( -1.562 7.258 -2.442) 7.815 1.609 ( -3.386 -1.855 -0.545) 3.899 1.697 ( 6.892 12.082 6.338) 15.285 1.772 ( 4.295 4.640 0.608) 6.352 1.793 ( 5.640 6.815 -2.606) 9.222 1.865 ( 2.188 1.011 -5.074) 5.618 1.918 ( -1.182 -1.321 -0.186) 1.782 1.999 ( 1.485 -3.723 4.189) 5.798 2.014 ( 0.598 -1.114 -4.447) 4.623 2.116 ( 2.275 -11.858 -3.846) 12.672 2.177 ( -1.182 3.255 0.977) 3.598 2.226 ( -1.020 -1.685 -1.017) 2.217 2.355 ( -4.826 2.177 2.735) 5.959 2.408 ( -3.340 -3.373 1.492) 4.976 2.482 ( -3.254 4.292 1.776) 5.672 2.536 ( -2.227 2.335 0.400) 3.251 2.566 ( -2.328 -2.786 0.584) 3.677 2.636 ( -3.817 -4.776 0.106) 6.114 2.695 ( -2.349 -1.842 2.652) 3.993 2.719 ( -0.760 -2.392 1.019) 2.709 2.774 ( -2.434 0.265 -0.128) 2.451 2.796 ( -2.894 -2.107 0.063) 3.581 2.918 ( 4.477 -0.138 -3.710) 5.816 2.935 ( 3.260 -2.274 -1.949) 4.427 3.144 ( 0.812 4.147 2.581) 4.951 3.230 ( -0.416 -4.833 1.156) 4.987 3.401 ( -0.161 3.339 -2.163) 3.982 3.462 ( 3.182 -2.574 -2.422) 4.756 3.505 ( 9.757 0.187 -3.091) 10.236 3.514 ( 8.923 -0.732 -4.724) 10.123 3.584 ( -3.713 2.775 -1.215) 4.792 3.613 ( -3.696 -0.114 -1.441) 3.969 4.162 ( 9.844 0.734 4.558) 10.873 4.174 ( 11.751 -0.627 6.128) 13.267 4.274 ( 4.357 2.987 -0.788) 5.341 4.319 ( 1.938 -1.812 -4.232) 4.995 4.684 ( -1.222 0.947 -4.647) 4.897 4.703 ( -0.610 -1.054 -4.519) 4.680 5.573 ( -2.412 1.395 -7.374) 7.883 5.591 ( -1.926 -0.558 -7.440) 7.706 5.959 ( -6.626 0.431 -6.487) 9.283 5.968 ( -5.577 -0.519 -6.557) 8.623 6.451 ( 7.442 0.044 3.862) 8.384 6.474 ( 6.904 -2.566 3.456) 8.137 6.938 ( -6.191 7.121 9.668) 13.510 7.000 ( -5.023 1.514 6.590) 8.424 7.890 ( -2.255 -1.892 5.684) 6.401 7.918 ( -4.271 -5.769 6.800) 9.887 9.175 ( 27.700 1.154 -0.134) 27.724 9.192 ( 28.393 -0.675 -0.609) 28.407 10.589 ( 7.079 2.197 0.656) 7.441 10.626 ( 7.556 -1.698 -0.431) 7.756 11.114 ( 34.247 3.767 -0.069) 34.453 11.214 ( 39.538 -7.411 -3.200) 40.354 12.720 ( -3.546 12.106 -12.441) 17.717 12.877 ( -5.773 -5.465 -13.010) 15.247 13.117 ( -6.179 1.430 0.024) 6.342 13.145 ( -6.230 -1.542 -0.989) 6.493 13.537 ( 1.761 0.957 0.387) 2.042 13.543 ( 1.974 0.310 0.089) 2.000 14.174 ( -1.679 1.391 -0.408) 2.218 14.198 ( -1.729 -1.140 -1.634) 2.638 14.625 ( -5.180 2.542 3.667) 6.837 14.692 ( -5.626 -4.537 1.889) 7.471 17.117 ( -1.439 6.351 9.069) 11.165 17.262 ( -4.362 -7.960 7.757) 11.940 17.346 ( -2.679 1.333 2.874) 4.149 17.410 ( -2.595 -4.213 2.062) 5.361 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.25 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 4.060 7.231 3.622) 9.050 1.022 ( 1.943 -9.816 0.279) 10.010 1.284 ( 3.854 17.666 4.908) 18.736 1.486 ( 2.732 5.122 -0.209) 5.809 1.548 ( 1.399 -3.382 -4.315) 5.658 1.562 ( 5.587 -8.335 4.800) 11.123 1.759 ( -0.550 4.563 -0.036) 4.596 1.780 ( -2.833 1.666 -0.590) 3.339 1.886 ( 0.178 5.697 0.463) 5.719 1.922 ( -0.034 3.372 -2.135) 3.991 1.962 ( -2.908 -0.753 -1.441) 3.332 1.997 ( -1.066 -1.796 0.116) 2.092 2.039 ( -1.202 0.930 7.814) 7.960 2.122 ( -2.168 -1.760 -0.444) 2.828 2.185 ( 0.765 -2.136 -0.369) 2.298 2.225 ( 4.811 -4.507 1.134) 6.689 2.302 ( -4.766 2.161 -0.380) 5.247 2.338 ( -3.106 -1.265 -0.734) 3.433 2.405 ( -1.438 5.732 -0.110) 5.911 2.488 ( -0.403 2.292 3.211) 3.966 2.512 ( 5.146 -5.313 2.585) 7.836 2.570 ( -0.748 -2.779 -2.017) 3.515 2.649 ( -1.923 -2.782 2.340) 4.112 2.689 ( -1.153 -3.574 -1.373) 3.999 2.759 ( 1.053 -1.204 0.077) 1.602 2.772 ( -0.170 -2.563 1.261) 2.861 3.008 ( 4.326 1.288 -0.673) 4.564 3.043 ( 5.964 -2.281 -3.213) 7.148 3.182 ( 2.316 3.858 1.901) 4.884 3.243 ( 1.015 -2.421 0.996) 2.808 3.425 ( 3.617 2.755 -3.810) 5.933 3.469 ( 0.616 -1.356 -4.250) 4.504 3.519 ( 0.154 0.086 -1.889) 1.897 3.534 ( -2.699 -0.432 0.184) 2.739 3.803 ( 15.174 1.167 -3.037) 15.519 3.818 ( 15.173 -0.508 -3.118) 15.499 4.261 ( 2.119 2.886 -5.373) 6.457 4.307 ( 1.371 -1.993 -6.751) 7.172 4.449 ( 7.625 1.592 -1.072) 7.863 4.476 ( 7.253 -1.292 -1.236) 7.470 4.658 ( 1.881 1.351 3.286) 4.020 4.683 ( 1.001 -1.304 3.111) 3.518 5.550 ( 1.106 1.738 -3.519) 4.077 5.574 ( 1.192 -0.834 -3.944) 4.204 5.749 ( -12.727 1.632 -7.834) 15.034 5.778 ( -12.029 -1.450 -8.611) 14.864 6.484 ( -7.623 0.234 8.684) 11.557 6.499 ( -7.132 -1.458 8.168) 10.941 6.941 ( 8.980 5.058 2.689) 10.652 7.003 ( 7.346 -1.143 0.213) 7.437 7.817 ( -5.191 -1.828 5.214) 7.581 7.819 ( -5.572 -2.298 6.023) 8.521 9.898 ( 39.932 1.536 0.057) 39.962 9.922 ( 39.755 -0.957 -0.622) 39.771 10.791 ( 11.920 2.859 0.571) 12.272 10.841 ( 12.606 -2.429 -0.895) 12.869 11.909 ( 36.311 2.959 2.819) 36.540 11.975 ( 24.352 -4.164 3.830) 25.000 12.717 ( 8.715 2.439 -19.248) 21.269 12.745 ( -4.191 -0.756 -14.149) 14.776 12.923 ( -12.183 1.600 -0.485) 12.297 12.950 ( -12.296 -1.271 -1.261) 12.426 13.593 ( 3.559 0.755 0.544) 3.679 13.601 ( 3.447 0.006 0.218) 3.454 14.124 ( -3.082 1.399 -0.100) 3.386 14.147 ( -3.141 -0.972 -1.192) 3.497 14.477 ( -9.015 1.980 2.542) 9.573 14.535 ( -9.429 -4.058 1.119) 10.326 17.093 ( -0.541 3.665 7.287) 8.175 17.174 ( -3.390 -4.829 8.152) 10.063 17.281 ( -3.530 2.464 1.237) 4.479 17.336 ( -4.355 -3.247 1.510) 5.638 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.38 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 10.255 5.012 -1.797) 11.555 1.113 ( 7.264 -6.115 -3.271) 10.043 1.382 ( 5.018 12.949 3.022) 14.212 1.509 ( 0.845 4.545 -0.434) 4.643 1.573 ( -1.105 -3.023 -0.400) 3.244 1.581 ( -9.227 -5.508 1.406) 10.838 1.673 ( -5.038 4.313 -3.328) 7.420 1.719 ( -5.200 0.880 -3.866) 6.539 1.836 ( -0.129 1.004 2.605) 2.794 1.841 ( 0.223 -0.825 1.314) 1.567 1.902 ( 0.756 4.193 0.579) 4.300 1.983 ( -1.077 -2.244 -1.230) 2.777 2.064 ( -2.599 2.037 1.065) 3.470 2.082 ( 0.477 0.628 2.736) 2.848 2.120 ( -8.429 1.106 0.932) 8.553 2.159 ( -4.408 -2.609 -0.391) 5.137 2.188 ( -4.835 0.789 2.873) 5.679 2.298 ( 3.479 -6.852 -0.944) 7.743 2.344 ( -3.843 6.754 0.092) 7.771 2.488 ( -4.033 -6.647 -1.486) 7.915 2.624 ( 0.685 0.536 0.279) 0.914 2.656 ( 4.157 0.707 -2.013) 4.673 2.679 ( 0.134 -4.823 -0.790) 4.889 2.703 ( 1.241 -4.264 -1.406) 4.658 2.835 ( 9.095 0.435 4.008) 9.949 2.851 ( 9.127 -1.764 2.676) 9.673 3.072 ( 0.650 3.148 1.642) 3.610 3.117 ( -0.536 -1.569 0.792) 1.838 3.224 ( 2.800 3.037 -0.410) 4.151 3.271 ( 2.763 -1.979 -2.488) 4.212 3.398 ( -4.243 2.985 0.668) 5.230 3.439 ( -3.630 -1.512 0.673) 3.990 3.678 ( 16.114 0.988 -2.658) 16.361 3.710 ( 15.881 -2.242 -3.507) 16.417 4.064 ( 9.724 1.276 -5.676) 11.332 4.080 ( 9.839 -0.451 -5.658) 11.359 4.277 ( -1.200 1.745 -7.387) 7.685 4.303 ( -2.346 -1.050 -7.610) 8.032 4.380 ( -10.473 1.131 -1.331) 10.618 4.399 ( -10.567 -0.844 -1.363) 10.688 4.859 ( 13.486 1.196 1.477) 13.619 4.881 ( 14.175 -1.046 1.047) 14.252 5.449 ( -14.311 1.810 -7.157) 16.103 5.485 ( -14.238 -1.947 -7.956) 16.426 5.667 ( 8.985 2.152 1.763) 9.406 5.689 ( 8.410 -0.009 1.029) 8.472 6.235 ( -14.370 0.762 9.031) 16.990 6.254 ( -14.545 -1.294 8.425) 16.858 7.195 ( 13.497 1.683 0.974) 13.636 7.223 ( 12.125 -1.173 -0.234) 12.184 7.671 ( -8.672 -0.869 4.436) 9.779 7.676 ( -8.670 -1.344 3.994) 9.639 10.701 ( 34.664 0.947 0.202) 34.677 10.715 ( 34.311 -0.566 -0.214) 34.317 11.044 ( 11.367 3.229 0.645) 11.834 11.103 ( 11.254 -2.939 -1.042) 11.678 12.103 ( -2.536 7.578 4.441) 9.142 12.254 ( -1.148 -8.610 1.226) 8.772 12.566 ( -19.449 1.977 0.317) 19.552 12.603 ( -17.552 -1.959 -0.666) 17.674 13.027 ( 26.779 10.192 -9.409) 30.159 13.197 ( 26.881 -7.985 -14.319) 31.487 13.657 ( 1.109 1.050 0.192) 1.539 13.670 ( 2.651 -0.312 -0.216) 2.678 14.056 ( -3.045 1.661 0.133) 3.471 14.078 ( -3.164 -0.451 -0.787) 3.291 14.258 ( -11.666 1.035 0.345) 11.717 14.309 ( -12.182 -4.103 -1.348) 12.925 17.103 ( 1.483 1.487 4.944) 5.372 17.135 ( -0.351 -1.969 5.793) 6.129 17.208 ( -3.395 1.665 1.586) 4.100 17.242 ( -4.503 -1.990 1.661) 5.196 ======================= Grid point 112 (45/60) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -8.964 3.599 -1.936) 9.852 1.261 ( 8.964 3.599 -1.936) 9.852 1.332 ( -5.462 -3.326 -1.925) 6.679 1.332 ( 5.462 -3.326 -1.925) 6.679 1.559 ( -3.246 5.737 -0.568) 6.616 1.559 ( 3.246 5.737 -0.568) 6.616 1.621 ( -0.852 0.347 -2.118) 2.309 1.621 ( 0.852 0.347 -2.118) 2.309 1.900 ( -3.471 2.980 1.638) 4.859 1.900 ( 3.471 2.980 1.638) 4.859 1.944 ( -4.582 -0.272 0.927) 4.683 1.944 ( 4.582 -0.272 0.927) 4.683 1.986 ( -2.484 0.890 1.059) 2.843 1.986 ( 2.484 0.890 1.059) 2.843 2.069 ( -2.959 -5.599 -0.253) 6.338 2.069 ( 2.959 -5.599 -0.253) 6.338 2.245 ( -4.927 7.592 2.089) 9.289 2.245 ( 4.927 7.592 2.089) 9.289 2.395 ( -4.767 -7.403 -0.247) 8.808 2.395 ( 4.767 -7.403 -0.247) 8.808 2.656 ( -1.928 -0.447 -1.841) 2.703 2.656 ( 1.928 -0.447 -1.841) 2.703 2.690 ( -0.839 -4.100 -0.896) 4.280 2.690 ( 0.839 -4.100 -0.896) 4.280 3.004 ( -4.464 2.355 1.289) 5.209 3.004 ( 4.464 2.355 1.289) 5.209 3.036 ( -5.033 -1.390 1.958) 5.576 3.036 ( 5.033 -1.390 1.958) 5.576 3.305 ( -4.525 3.196 -0.264) 5.546 3.305 ( 4.525 3.196 -0.264) 5.546 3.354 ( -4.448 -2.167 -1.182) 5.087 3.354 ( 4.448 -2.167 -1.182) 5.087 4.050 ( -17.438 0.843 0.309) 17.462 4.050 ( 17.438 0.843 0.309) 17.462 4.072 ( -16.753 -1.474 -0.445) 16.823 4.072 ( 16.753 -1.474 -0.445) 16.823 4.224 ( -4.177 1.813 -7.590) 8.851 4.224 ( 4.177 1.813 -7.590) 8.851 4.248 ( -4.051 -0.807 -7.717) 8.753 4.248 ( 4.051 -0.807 -7.717) 8.753 5.141 ( -9.093 2.708 -4.596) 10.542 5.141 ( 9.093 2.708 -4.596) 10.542 5.190 ( -9.462 -2.582 -4.641) 10.851 5.190 ( 9.462 -2.582 -4.641) 10.851 5.886 ( -2.297 5.405 6.189) 8.532 5.886 ( 2.297 5.405 6.189) 8.532 5.980 ( -2.377 -4.550 6.171) 8.027 5.980 ( 2.377 -4.550 6.171) 8.027 7.456 ( -6.421 0.375 2.316) 6.836 7.456 ( 6.421 0.375 2.316) 6.836 7.471 ( -5.875 -1.288 2.079) 6.364 7.471 ( 5.875 -1.288 2.079) 6.364 11.141 ( -3.376 2.793 0.125) 4.384 11.141 ( 3.376 2.793 0.125) 4.384 11.191 ( -5.581 -2.451 0.046) 6.096 11.191 ( 5.581 -2.451 0.046) 6.096 12.180 ( -13.677 5.395 1.591) 14.788 12.180 ( 13.677 5.395 1.591) 14.788 12.283 ( -9.363 -5.566 -1.271) 10.967 12.283 ( 9.363 -5.566 -1.271) 10.967 13.521 ( -15.655 6.306 -2.074) 17.004 13.521 ( 15.655 6.306 -2.074) 17.004 13.624 ( -10.014 -4.574 -4.460) 11.879 13.624 ( 10.014 -4.574 -4.460) 11.879 14.039 ( -1.500 2.857 -0.449) 3.258 14.039 ( 1.500 2.857 -0.449) 3.258 14.107 ( -2.584 -4.381 -2.363) 5.608 14.107 ( 2.584 -4.381 -2.363) 5.608 17.147 ( -2.456 0.591 3.117) 4.012 17.147 ( 2.456 0.591 3.117) 4.012 17.161 ( -2.995 -0.852 3.004) 4.327 17.161 ( 2.995 -0.852 3.004) 4.327 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 0.000 0.000 10.111) 10.111 0.970 ( 0.000 0.000 -11.889) 11.889 1.044 ( 0.000 0.000 13.988) 13.988 1.257 ( 0.000 0.000 -7.224) 7.224 1.445 ( 0.000 0.000 6.170) 6.170 1.544 ( 0.000 0.000 10.744) 10.744 1.569 ( 0.000 0.000 -5.232) 5.232 1.579 ( 0.000 0.000 4.499) 4.499 1.644 ( 0.000 0.000 2.274) 2.274 1.707 ( 0.000 0.000 -4.010) 4.010 1.874 ( 0.000 0.000 2.144) 2.144 1.926 ( 0.000 0.000 -2.298) 2.298 2.083 ( 0.000 0.000 3.010) 3.010 2.123 ( 0.000 0.000 2.163) 2.163 2.129 ( 0.000 0.000 -1.261) 1.261 2.257 ( 0.000 0.000 -11.111) 11.111 2.316 ( 0.000 0.000 0.462) 0.462 2.487 ( 0.000 0.000 -14.145) 14.145 2.568 ( 0.000 0.000 6.924) 6.924 2.637 ( 0.000 0.000 7.259) 7.259 2.663 ( 0.000 0.000 5.463) 5.463 2.701 ( 0.000 0.000 -6.584) 6.584 2.749 ( 0.000 0.000 -1.565) 1.565 2.754 ( 0.000 0.000 -4.184) 4.184 2.887 ( 0.000 0.000 3.375) 3.375 2.911 ( 0.000 0.000 0.781) 0.781 2.998 ( 0.000 0.000 6.015) 6.015 3.080 ( 0.000 0.000 -2.232) 2.232 3.089 ( 0.000 0.000 0.121) 0.121 3.092 ( 0.000 0.000 -0.983) 0.983 3.285 ( 0.000 0.000 -0.770) 0.770 3.305 ( 0.000 0.000 -2.649) 2.649 3.504 ( 0.000 0.000 0.563) 0.563 3.529 ( 0.000 0.000 -1.741) 1.741 3.611 ( 0.000 0.000 -0.881) 0.881 3.618 ( 0.000 0.000 -1.073) 1.073 4.131 ( 0.000 0.000 1.849) 1.849 4.205 ( 0.000 0.000 -5.764) 5.764 4.266 ( 0.000 0.000 13.287) 13.287 4.272 ( 0.000 0.000 14.495) 14.495 4.509 ( 0.000 0.000 -11.226) 11.226 4.534 ( 0.000 0.000 -11.860) 11.860 5.484 ( 0.000 0.000 -0.939) 0.939 5.510 ( 0.000 0.000 -3.320) 3.320 5.956 ( 0.000 0.000 -1.155) 1.155 5.963 ( 0.000 0.000 -1.968) 1.968 6.431 ( 0.000 0.000 2.765) 2.765 6.469 ( 0.000 0.000 -1.127) 1.127 6.943 ( 0.000 0.000 3.754) 3.754 6.949 ( 0.000 0.000 3.191) 3.191 8.145 ( 0.000 0.000 7.681) 7.681 8.286 ( 0.000 0.000 -6.677) 6.677 8.868 ( 0.000 0.000 0.065) 0.065 8.869 ( 0.000 0.000 -0.060) 0.060 10.499 ( 0.000 0.000 1.749) 1.749 10.534 ( 0.000 0.000 -1.791) 1.791 10.723 ( 0.000 0.000 0.180) 0.180 10.726 ( 0.000 0.000 -0.142) 0.142 12.513 ( 0.000 0.000 13.244) 13.244 12.780 ( 0.000 0.000 -13.794) 13.794 13.170 ( 0.000 0.000 1.321) 1.321 13.202 ( 0.000 0.000 -1.955) 1.955 13.488 ( 0.000 0.000 0.213) 0.213 13.491 ( 0.000 0.000 -0.102) 0.102 14.172 ( 0.000 0.000 0.568) 0.568 14.190 ( 0.000 0.000 -1.482) 1.482 14.736 ( 0.000 0.000 4.492) 4.492 14.816 ( 0.000 0.000 -3.687) 3.687 17.139 ( 0.000 0.000 5.780) 5.780 17.227 ( 0.000 0.000 -3.313) 3.313 17.631 ( 0.000 0.000 5.289) 5.289 17.728 ( 0.000 0.000 -4.478) 4.478 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 4.146 0.000 10.391) 11.188 1.015 ( 4.223 0.000 -11.816) 12.548 1.098 ( -1.898 0.000 16.127) 16.238 1.371 ( -3.209 0.000 -10.955) 11.415 1.420 ( -2.011 0.000 3.759) 4.263 1.500 ( -3.652 0.000 -4.428) 5.740 1.559 ( 10.532 0.000 4.875) 11.605 1.619 ( 11.769 0.000 1.225) 11.833 1.725 ( 6.793 0.000 4.791) 8.312 1.813 ( 6.495 0.000 -4.178) 7.723 1.959 ( 6.987 0.000 6.745) 9.711 2.019 ( 6.630 0.000 0.553) 6.653 2.061 ( -2.116 0.000 2.875) 3.570 2.100 ( -1.302 0.000 -0.350) 1.348 2.144 ( 0.284 0.000 0.141) 0.317 2.243 ( -1.644 0.000 -8.827) 8.978 2.330 ( 1.644 0.000 2.318) 2.842 2.450 ( -5.852 0.000 -1.874) 6.145 2.510 ( -4.754 0.000 5.031) 6.922 2.606 ( -5.716 0.000 -1.334) 5.870 2.620 ( -6.464 0.000 -6.065) 8.864 2.629 ( -0.581 0.000 -1.840) 1.929 2.698 ( -0.679 0.000 0.619) 0.919 2.758 ( 0.123 0.000 -2.141) 2.145 2.905 ( 0.603 0.000 4.157) 4.201 2.940 ( 1.736 0.000 0.354) 1.772 3.010 ( 1.684 0.000 4.634) 4.931 3.060 ( -2.156 0.000 0.439) 2.200 3.079 ( -1.247 0.000 -1.720) 2.125 3.090 ( 0.717 0.000 -3.182) 3.261 3.430 ( 13.184 0.000 0.387) 13.190 3.439 ( -3.830 0.000 1.789) 4.227 3.461 ( 13.481 0.000 -2.445) 13.701 3.474 ( -3.660 0.000 -2.246) 4.294 3.570 ( -3.021 0.000 0.625) 3.085 3.587 ( -2.452 0.000 -1.203) 2.731 4.131 ( 0.037 0.000 1.260) 1.260 4.200 ( -0.451 0.000 -5.821) 5.839 4.340 ( 5.342 0.000 9.058) 10.516 4.388 ( 7.625 0.000 8.688) 11.559 4.544 ( 4.528 0.000 -6.456) 7.885 4.605 ( 6.041 0.000 -8.029) 10.048 5.469 ( -0.796 0.000 -0.348) 0.869 5.499 ( -0.491 0.000 -3.174) 3.212 5.861 ( -9.160 0.000 -2.156) 9.410 5.875 ( -8.089 0.000 -3.414) 8.780 6.555 ( 11.238 0.000 2.930) 11.614 6.604 ( 11.595 0.000 -2.276) 11.816 6.857 ( -8.136 0.000 4.058) 9.092 6.868 ( -7.311 0.000 2.966) 7.889 8.097 ( -4.281 0.000 6.042) 7.405 8.187 ( -7.810 0.000 -2.670) 8.253 9.157 ( 27.017 0.000 1.018) 27.036 9.178 ( 27.858 0.000 -1.123) 27.881 10.573 ( 7.032 0.000 2.044) 7.323 10.615 ( 7.641 0.000 -2.175) 7.944 11.100 ( 33.851 0.000 3.858) 34.070 11.224 ( 41.882 0.000 -9.774) 43.008 12.455 ( -5.540 0.000 12.761) 13.912 12.711 ( -6.439 0.000 -13.308) 14.784 13.107 ( -6.187 0.000 1.344) 6.331 13.138 ( -6.244 0.000 -1.848) 6.512 13.513 ( 2.360 0.000 0.305) 2.379 13.518 ( 2.446 0.000 -0.191) 2.453 14.156 ( -1.511 0.000 0.616) 1.631 14.175 ( -1.534 0.000 -1.409) 2.083 14.681 ( -5.178 0.000 4.285) 6.721 14.757 ( -5.535 0.000 -3.454) 6.525 17.133 ( -0.463 0.000 5.391) 5.410 17.214 ( -1.080 0.000 -3.036) 3.222 17.574 ( -5.235 0.000 4.106) 6.653 17.633 ( -8.059 0.000 -1.576) 8.212 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 8.662 0.000 9.635) 12.956 0.991 ( -4.398 0.000 13.023) 13.746 1.133 ( 6.931 0.000 -10.630) 12.690 1.221 ( -5.919 0.000 -9.849) 11.491 1.385 ( -0.807 0.000 2.927) 3.036 1.459 ( -0.282 0.000 -4.621) 4.629 1.762 ( 2.651 0.000 2.907) 3.935 1.837 ( 2.720 0.000 -3.131) 4.148 1.868 ( 6.080 0.000 4.026) 7.292 1.897 ( 0.784 0.000 1.576) 1.761 1.992 ( -4.545 0.000 3.286) 5.609 2.074 ( -2.134 0.000 -4.771) 5.227 2.115 ( 2.661 0.000 5.148) 5.795 2.136 ( -0.413 0.000 -1.301) 1.365 2.144 ( 4.382 0.000 4.293) 6.135 2.191 ( -2.409 0.000 -4.120) 4.773 2.254 ( -6.248 0.000 1.073) 6.339 2.319 ( -7.762 0.000 -2.504) 8.156 2.398 ( -6.027 0.000 2.587) 6.559 2.487 ( -5.582 0.000 -6.694) 8.716 2.589 ( 10.448 0.000 5.844) 11.972 2.675 ( 5.834 0.000 5.629) 8.107 2.708 ( 0.854 0.000 -2.004) 2.178 2.834 ( 6.837 0.000 -7.318) 10.015 2.905 ( -0.210 0.000 5.060) 5.065 2.957 ( -0.051 0.000 -0.079) 0.094 3.014 ( -2.204 0.000 0.580) 2.279 3.059 ( 0.571 0.000 -4.159) 4.198 3.059 ( 2.528 0.000 2.416) 3.497 3.110 ( 1.122 0.000 -2.619) 2.850 3.416 ( 1.374 0.000 2.599) 2.940 3.462 ( 3.870 0.000 -2.398) 4.553 3.518 ( -0.314 0.000 -0.144) 0.345 3.530 ( -2.845 0.000 -0.984) 3.011 3.738 ( 14.270 0.000 0.397) 14.276 3.768 ( 14.201 0.000 -2.409) 14.404 4.133 ( 0.123 0.000 -0.422) 0.440 4.187 ( -0.712 0.000 -5.927) 5.970 4.419 ( 1.406 0.000 1.369) 1.963 4.461 ( -0.319 0.000 -2.584) 2.604 4.712 ( 9.803 0.000 4.167) 10.652 4.752 ( 7.667 0.000 0.489) 7.682 5.494 ( 4.173 0.000 1.072) 4.309 5.526 ( 4.000 0.000 -2.087) 4.511 5.611 ( -14.212 0.000 -2.356) 14.406 5.648 ( -13.277 0.000 -5.847) 14.508 6.637 ( -12.713 0.000 4.606) 13.522 6.661 ( -12.427 0.000 2.186) 12.618 6.846 ( 16.059 0.000 1.938) 16.176 6.888 ( 15.126 0.000 -2.539) 15.338 7.976 ( -7.566 0.000 3.736) 8.438 8.009 ( -9.370 0.000 0.733) 9.399 9.880 ( 40.363 0.000 1.321) 40.385 9.907 ( 40.066 0.000 -1.448) 40.093 10.773 ( 11.863 0.000 2.745) 12.177 10.830 ( 12.619 0.000 -3.014) 12.974 11.949 ( 44.733 0.000 7.681) 45.387 12.178 ( 46.263 0.000 -16.686) 49.180 12.299 ( -9.112 0.000 11.517) 14.686 12.530 ( -10.584 0.000 -12.013) 16.011 12.909 ( -13.223 0.000 1.398) 13.297 12.940 ( -13.134 0.000 -1.709) 13.245 13.579 ( 3.828 0.000 0.254) 3.837 13.583 ( 3.578 0.000 -0.154) 3.581 14.111 ( -2.819 0.000 0.753) 2.918 14.128 ( -2.907 0.000 -1.123) 3.116 14.527 ( -9.733 0.000 3.530) 10.353 14.594 ( -10.248 0.000 -3.216) 10.741 17.127 ( 0.066 0.000 4.281) 4.282 17.189 ( -1.157 0.000 -2.138) 2.431 17.434 ( -7.804 0.000 3.187) 8.430 17.457 ( -7.843 0.000 0.772) 7.881 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 6.396 0.000 7.896) 10.162 1.139 ( 10.328 0.000 7.257) 12.622 1.184 ( 2.173 0.000 -9.547) 9.791 1.281 ( 6.614 0.000 -7.222) 9.793 1.391 ( 0.956 0.000 2.850) 3.007 1.467 ( 0.088 0.000 -4.658) 4.658 1.646 ( -12.165 0.000 2.519) 12.424 1.703 ( -12.247 0.000 -2.753) 12.553 1.858 ( -3.174 0.000 4.061) 5.154 1.898 ( -3.448 0.000 1.379) 3.713 1.939 ( -0.267 0.000 -0.126) 0.295 1.977 ( -6.050 0.000 -1.873) 6.333 2.059 ( -0.434 0.000 8.468) 8.479 2.123 ( 0.572 0.000 2.495) 2.560 2.186 ( -3.627 0.000 -1.863) 4.078 2.206 ( 0.866 0.000 2.167) 2.334 2.220 ( 3.824 0.000 -7.468) 8.390 2.237 ( -0.453 0.000 -2.529) 2.569 2.276 ( -5.098 0.000 3.635) 6.262 2.394 ( -3.910 0.000 -8.287) 9.163 2.726 ( 1.766 0.000 0.970) 2.014 2.730 ( 3.907 0.000 0.236) 3.914 2.852 ( 1.185 0.000 2.522) 2.786 2.895 ( -1.169 0.000 -1.860) 2.197 2.908 ( 0.601 0.000 4.363) 4.405 2.946 ( -0.812 0.000 0.699) 1.072 3.052 ( 9.099 0.000 4.459) 10.133 3.103 ( 1.654 0.000 0.995) 1.930 3.128 ( 0.483 0.000 -1.526) 1.600 3.172 ( 8.407 0.000 -6.431) 10.585 3.374 ( -4.883 0.000 3.447) 5.978 3.444 ( -4.624 0.000 -3.127) 5.582 3.689 ( 17.367 0.000 0.951) 17.393 3.716 ( 17.492 0.000 -1.800) 17.585 3.958 ( 6.986 0.000 -0.655) 7.017 3.990 ( 6.884 0.000 -3.533) 7.738 4.134 ( -0.039 0.000 -1.755) 1.755 4.172 ( -0.806 0.000 -5.421) 5.481 4.358 ( -8.061 0.000 0.599) 8.083 4.383 ( -8.013 0.000 -1.738) 8.199 4.886 ( 7.206 0.000 3.070) 7.833 4.916 ( 7.851 0.000 0.473) 7.865 5.318 ( -13.023 0.000 -2.157) 13.201 5.367 ( -13.012 0.000 -6.575) 14.579 5.656 ( 11.063 0.000 2.295) 11.299 5.677 ( 10.254 0.000 0.123) 10.255 6.353 ( -14.172 0.000 4.071) 14.745 6.375 ( -14.666 0.000 1.885) 14.786 7.187 ( 16.510 0.000 1.178) 16.552 7.208 ( 15.606 0.000 -1.091) 15.644 7.781 ( -11.343 0.000 2.286) 11.571 7.793 ( -11.777 0.000 1.268) 11.845 10.689 ( 34.433 0.000 0.681) 34.440 10.704 ( 33.763 0.000 -0.810) 33.773 11.033 ( 12.586 0.000 3.241) 12.996 11.097 ( 12.174 0.000 -3.309) 12.616 12.119 ( -6.582 0.000 9.740) 11.755 12.314 ( -8.764 0.000 -10.135) 13.399 12.562 ( -20.124 0.000 2.135) 20.237 12.608 ( -18.282 0.000 -2.528) 18.456 12.820 ( 37.932 0.000 7.482) 38.662 13.026 ( 34.846 0.000 -13.828) 37.490 13.632 ( -0.216 0.000 0.897) 0.923 13.652 ( 2.126 0.000 -0.966) 2.335 14.047 ( -3.041 0.000 1.055) 3.219 14.062 ( -3.182 0.000 -0.513) 3.223 14.292 ( -12.146 0.000 1.795) 12.278 14.344 ( -13.417 0.000 -3.505) 13.867 17.143 ( 1.624 0.000 2.711) 3.161 17.176 ( 0.025 0.000 -0.592) 0.592 17.291 ( -5.526 0.000 3.069) 6.321 17.315 ( -5.993 0.000 0.384) 6.005 ======================= Grid point 139 (50/60) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -7.166 0.000 -0.716) 7.202 1.193 ( 7.166 0.000 -0.716) 7.202 1.318 ( -5.174 0.000 3.261) 6.116 1.318 ( 5.174 0.000 3.261) 6.116 1.430 ( -3.258 0.000 -3.215) 4.577 1.430 ( 3.258 0.000 -3.215) 4.577 1.487 ( -3.851 0.000 -1.389) 4.094 1.487 ( 3.851 0.000 -1.389) 4.094 1.842 ( -2.254 0.000 2.646) 3.476 1.842 ( 2.254 0.000 2.646) 3.476 1.905 ( -0.850 0.000 -3.055) 3.171 1.905 ( 0.850 0.000 -3.055) 3.171 2.103 ( -3.665 0.000 4.648) 5.919 2.103 ( 3.665 0.000 4.648) 5.919 2.178 ( -3.924 0.000 5.055) 6.399 2.178 ( 3.924 0.000 5.055) 6.399 2.226 ( -0.633 0.000 -1.349) 1.490 2.226 ( 0.633 0.000 -1.349) 1.490 2.312 ( -4.206 0.000 -8.649) 9.618 2.312 ( 4.206 0.000 -8.649) 9.618 2.763 ( -1.341 0.000 0.429) 1.408 2.763 ( 1.341 0.000 0.429) 1.408 2.851 ( -1.822 0.000 -1.073) 2.115 2.851 ( 1.822 0.000 -1.073) 2.115 2.927 ( -1.033 0.000 2.607) 2.804 2.927 ( 1.033 0.000 2.607) 2.804 3.127 ( -0.647 0.000 -0.339) 0.730 3.127 ( 0.647 0.000 -0.339) 0.730 3.239 ( -7.314 0.000 4.336) 8.503 3.239 ( 7.314 0.000 4.336) 8.503 3.332 ( -6.056 0.000 -4.366) 7.466 3.332 ( 6.056 0.000 -4.366) 7.466 4.043 ( -1.405 0.000 -3.241) 3.533 4.043 ( 1.405 0.000 -3.241) 3.533 4.083 ( -17.534 0.000 1.835) 17.630 4.083 ( 17.534 0.000 1.835) 17.630 4.109 ( -17.516 0.000 -0.744) 17.531 4.109 ( 17.516 0.000 -0.744) 17.531 4.148 ( -1.460 0.000 -3.101) 3.428 4.148 ( 1.460 0.000 -3.101) 3.428 5.014 ( -2.755 0.000 -1.821) 3.303 5.014 ( 2.755 0.000 -1.821) 3.303 5.166 ( -3.250 0.000 -2.543) 4.127 5.166 ( 3.250 0.000 -2.543) 4.127 5.847 ( -0.743 0.000 2.362) 2.476 5.847 ( 0.743 0.000 2.362) 2.476 6.148 ( -0.913 0.000 2.339) 2.511 6.148 ( 0.913 0.000 2.339) 2.511 7.494 ( -3.321 0.000 1.118) 3.505 7.494 ( 3.321 0.000 1.118) 3.505 7.537 ( -3.131 0.000 0.717) 3.212 7.537 ( 3.131 0.000 0.717) 3.212 11.083 ( -0.275 0.000 0.177) 0.328 11.083 ( 0.275 0.000 0.177) 0.328 11.241 ( -2.804 0.000 0.047) 2.805 11.241 ( 2.804 0.000 0.047) 2.805 12.164 ( -13.827 0.000 5.807) 14.997 12.164 ( 13.827 0.000 5.807) 14.997 12.285 ( -8.785 0.000 -6.471) 10.911 12.285 ( 8.785 0.000 -6.471) 10.911 13.435 ( -18.179 0.000 4.310) 18.683 13.435 ( 18.179 0.000 4.310) 18.683 13.569 ( -12.414 0.000 -6.451) 13.990 13.569 ( 12.414 0.000 -6.451) 13.990 14.018 ( -0.910 0.000 0.953) 1.317 14.018 ( 0.910 0.000 0.953) 1.317 14.141 ( -1.551 0.000 -2.140) 2.643 14.141 ( 1.551 0.000 -2.140) 2.643 17.184 ( -0.836 0.000 1.293) 1.540 17.184 ( 0.836 0.000 1.293) 1.540 17.226 ( -1.001 0.000 1.273) 1.619 17.226 ( 1.001 0.000 1.273) 1.619 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.000 9.878 10.148) 14.162 1.028 ( 0.000 2.301 4.678) 5.214 1.126 ( 0.000 10.125 -3.698) 10.779 1.225 ( 0.000 -3.396 -1.769) 3.829 1.421 ( 0.000 -6.645 3.164) 7.360 1.441 ( 0.000 2.672 0.206) 2.680 1.636 ( 0.000 7.191 6.647) 9.792 1.640 ( 0.000 3.634 2.583) 4.458 1.721 ( 0.000 0.319 -1.717) 1.747 1.760 ( 0.000 5.578 -3.304) 6.483 1.876 ( 0.000 1.285 1.590) 2.044 1.893 ( 0.000 -2.041 -0.999) 2.272 2.115 ( 0.000 1.376 3.368) 3.639 2.145 ( 0.000 3.303 1.571) 3.658 2.171 ( 0.000 1.413 -2.130) 2.556 2.194 ( 0.000 -3.988 -2.532) 4.724 2.334 ( 0.000 1.803 -4.539) 4.884 2.468 ( 0.000 -1.948 -13.755) 13.892 2.564 ( 0.000 -0.333 4.475) 4.488 2.584 ( 0.000 -3.884 3.964) 5.550 2.628 ( 0.000 -3.430 6.073) 6.974 2.730 ( 0.000 -2.228 -2.647) 3.459 2.740 ( 0.000 2.483 -2.679) 3.652 2.765 ( 0.000 1.018 -2.679) 2.866 2.867 ( 0.000 -2.106 2.644) 3.381 2.874 ( 0.000 -4.194 1.590) 4.485 2.917 ( 0.000 -5.523 4.483) 7.114 2.970 ( 0.000 -4.098 -0.792) 4.174 3.140 ( 0.000 3.019 2.640) 4.011 3.203 ( 0.000 3.932 -3.435) 5.221 3.290 ( 0.000 0.452 -1.061) 1.153 3.306 ( 0.000 0.004 -3.082) 3.082 3.474 ( 0.000 -2.829 0.572) 2.887 3.505 ( 0.000 -2.633 -2.689) 3.764 3.589 ( 0.000 -1.783 0.525) 1.859 3.607 ( 0.000 -0.029 -1.544) 1.544 4.153 ( 0.000 1.945 1.430) 2.414 4.207 ( 0.000 0.109 -3.241) 3.243 4.272 ( 0.000 0.588 12.885) 12.898 4.278 ( 0.000 0.560 12.642) 12.654 4.512 ( 0.000 0.315 -11.163) 11.167 4.531 ( 0.000 -0.296 -11.649) 11.653 5.493 ( 0.000 0.804 -1.320) 1.545 5.512 ( 0.000 0.218 -3.100) 3.107 5.957 ( 0.000 0.051 -1.223) 1.224 5.962 ( 0.000 -0.091 -1.870) 1.872 6.421 ( 0.000 -0.866 2.308) 2.465 6.447 ( 0.000 -1.857 -0.327) 1.886 7.024 ( 0.000 7.303 3.698) 8.186 7.032 ( 0.000 8.239 2.717) 8.676 8.096 ( 0.000 -4.783 6.329) 7.933 8.199 ( 0.000 -8.421 -3.934) 9.295 8.868 ( 0.000 0.062 0.057) 0.084 8.869 ( 0.000 0.037 -0.045) 0.058 10.510 ( 0.000 1.089 1.555) 1.898 10.540 ( 0.000 0.542 -1.561) 1.653 10.724 ( 0.000 0.105 0.148) 0.181 10.726 ( 0.000 0.027 -0.098) 0.101 12.565 ( 0.000 5.046 8.796) 10.140 12.773 ( 0.000 -0.855 -12.039) 12.069 13.174 ( 0.000 0.386 1.055) 1.123 13.199 ( 0.000 -0.278 -1.561) 1.586 13.501 ( 0.000 1.226 0.138) 1.234 13.503 ( 0.000 1.108 -0.049) 1.109 14.176 ( 0.000 0.474 0.473) 0.670 14.192 ( 0.000 0.165 -1.290) 1.300 14.733 ( 0.000 -0.203 3.860) 3.866 14.798 ( 0.000 -1.760 -2.824) 3.327 17.172 ( 0.000 3.681 5.615) 6.715 17.254 ( 0.000 2.919 -2.909) 4.121 17.585 ( 0.000 -4.694 4.044) 6.195 17.646 ( 0.000 -8.138 -1.781) 8.331 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.12 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 2.650 8.103 11.178) 14.058 1.120 ( 3.693 7.657 -9.342) 12.631 1.155 ( -1.141 7.334 10.835) 13.133 1.318 ( -6.752 -3.784 -0.384) 7.750 1.381 ( 6.977 -2.817 1.283) 7.633 1.465 ( 6.709 1.404 -7.263) 9.987 1.661 ( 4.083 4.504 3.300) 6.917 1.690 ( 3.590 6.712 1.325) 7.726 1.752 ( 4.433 2.586 1.211) 5.273 1.809 ( 7.244 -0.838 -1.776) 7.506 1.931 ( 3.380 -1.180 2.052) 4.127 1.961 ( 4.572 -4.065 -0.529) 6.140 2.125 ( 0.362 4.646 5.384) 7.120 2.144 ( 0.242 2.020 1.032) 2.281 2.171 ( -0.113 2.555 -1.595) 3.014 2.222 ( 2.394 -1.692 -1.367) 3.234 2.327 ( -0.230 0.498 -1.345) 1.453 2.438 ( -5.507 -1.309 -1.642) 5.893 2.505 ( -5.079 -0.097 2.729) 5.767 2.560 ( -0.435 -3.833 -6.139) 7.251 2.593 ( -4.302 -2.116 1.738) 5.099 2.655 ( -5.517 -0.622 -4.680) 7.261 2.689 ( -2.843 0.464 3.171) 4.284 2.760 ( -0.423 -0.043 -2.540) 2.575 2.877 ( 0.266 -3.094 3.656) 4.797 2.891 ( 0.611 -6.190 2.560) 6.727 2.910 ( 0.344 -4.773 0.585) 4.821 2.963 ( 0.016 -4.194 -2.535) 4.901 3.137 ( 0.262 3.904 3.114) 5.000 3.204 ( 0.087 4.068 -3.543) 5.395 3.412 ( -2.391 -2.212 1.611) 3.634 3.430 ( 9.692 -0.012 -0.889) 9.733 3.448 ( 3.573 -1.428 -2.044) 4.357 3.466 ( 7.340 -0.666 -2.367) 7.741 3.567 ( -1.287 -0.206 0.651) 1.457 3.584 ( -1.791 0.127 -1.025) 2.068 4.150 ( -0.099 1.743 0.767) 1.907 4.204 ( -0.403 0.266 -4.742) 4.767 4.347 ( 5.319 0.690 8.710) 10.229 4.384 ( 7.154 -0.354 8.299) 10.962 4.552 ( 4.752 0.762 -6.408) 8.014 4.600 ( 5.987 -0.570 -7.718) 9.784 5.477 ( -0.791 0.803 -0.702) 1.327 5.501 ( -0.503 0.181 -2.942) 2.990 5.862 ( -9.028 0.153 -2.228) 9.300 5.874 ( -8.163 -0.108 -3.291) 8.802 6.529 ( 9.348 -1.986 2.412) 9.856 6.560 ( 9.103 -3.319 -0.677) 9.713 6.938 ( -7.173 7.474 4.354) 11.237 6.961 ( -5.974 8.081 1.752) 10.201 8.054 ( -3.741 -4.189 5.018) 7.531 8.119 ( -6.379 -6.604 -1.103) 9.248 9.163 ( 27.257 0.594 0.734) 27.273 9.180 ( 27.922 0.147 -0.959) 27.938 10.583 ( 7.007 0.959 1.700) 7.274 10.617 ( 7.471 0.141 -1.741) 7.672 11.105 ( 34.061 0.560 3.107) 34.207 11.200 ( 40.176 -2.255 -7.116) 40.864 12.506 ( -5.535 4.981 8.142) 11.033 12.706 ( -6.370 -0.752 -11.716) 13.357 13.111 ( -6.162 0.411 1.080) 6.270 13.136 ( -6.198 -0.231 -1.488) 6.378 13.523 ( 2.193 1.020 0.289) 2.436 13.528 ( 2.315 0.958 -0.167) 2.511 14.161 ( -1.513 0.471 0.521) 1.668 14.177 ( -1.533 0.161 -1.218) 1.964 14.677 ( -5.284 -0.330 3.680) 6.447 14.739 ( -5.582 -1.814 -2.638) 6.435 17.163 ( -0.828 3.225 5.286) 6.247 17.239 ( -1.341 2.602 -2.685) 3.973 17.533 ( -4.826 -4.212 3.216) 7.167 17.568 ( -6.653 -6.490 0.101) 9.295 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.584 0.379 10.669) 10.692 1.104 ( 1.046 10.444 7.316) 12.794 1.138 ( -1.372 -2.656 -6.120) 6.811 1.266 ( 3.531 10.281 -8.424) 13.753 1.428 ( 0.415 4.051 3.145) 5.145 1.523 ( -0.068 4.998 -6.652) 8.320 1.757 ( 0.870 -0.068 2.279) 2.440 1.790 ( 3.102 -3.923 0.668) 5.045 1.888 ( 4.362 0.936 2.624) 5.176 1.932 ( 0.586 1.319 0.065) 1.445 1.958 ( -2.497 -1.614 2.586) 3.940 2.012 ( 0.396 -5.033 -5.004) 7.109 2.131 ( -1.329 1.788 1.634) 2.763 2.158 ( -0.733 1.472 1.942) 2.545 2.187 ( 1.639 2.324 0.252) 2.855 2.218 ( -2.793 3.240 3.519) 5.539 2.263 ( -5.445 0.750 -0.949) 5.578 2.330 ( -6.335 1.514 -2.675) 7.041 2.397 ( -4.327 -0.183 3.043) 5.293 2.480 ( -3.923 -0.472 -5.034) 6.400 2.558 ( 6.910 -2.980 3.364) 8.242 2.661 ( 2.152 -5.010 -4.397) 7.005 2.675 ( 3.749 -0.769 5.854) 6.994 2.773 ( 1.664 -4.849 -1.926) 5.477 2.879 ( 0.606 -4.360 2.756) 5.194 2.903 ( 1.288 -4.972 4.372) 6.745 2.953 ( 4.310 -0.341 -4.001) 5.890 2.994 ( 3.564 -2.739 -4.522) 6.376 3.154 ( 0.807 5.300 2.767) 6.033 3.207 ( -0.426 5.313 -2.501) 5.888 3.397 ( 2.711 -1.741 1.568) 3.583 3.436 ( 3.764 -2.497 -2.641) 5.232 3.503 ( -1.429 -1.215 0.147) 1.882 3.526 ( -2.529 -0.344 -1.336) 2.881 3.750 ( 14.090 1.126 0.107) 14.135 3.773 ( 14.098 0.430 -1.972) 14.242 4.148 ( -0.096 1.461 -1.011) 1.780 4.191 ( -0.760 0.313 -5.370) 5.433 4.424 ( 1.250 0.511 0.991) 1.675 4.458 ( -0.108 -0.333 -2.209) 2.237 4.717 ( 9.589 0.459 3.830) 10.336 4.749 ( 7.918 -0.349 0.865) 7.973 5.503 ( 4.169 0.902 0.713) 4.324 5.529 ( 3.939 0.235 -1.839) 4.353 5.616 ( -13.884 0.483 -2.674) 14.148 5.646 ( -13.194 -0.235 -5.535) 14.310 6.616 ( -7.914 -1.624 3.751) 8.907 6.633 ( -7.610 -2.243 2.086) 8.204 6.900 ( 10.161 5.027 2.509) 11.611 6.941 ( 9.235 4.612 -1.781) 10.475 7.946 ( -6.935 -2.904 3.223) 8.180 7.969 ( -8.245 -3.900 1.249) 9.206 9.887 ( 40.256 0.703 1.026) 40.275 9.909 ( 40.042 0.150 -1.212) 40.061 10.783 ( 11.879 1.002 2.233) 12.129 10.829 ( 12.507 -0.122 -2.454) 12.746 11.956 ( 44.485 0.800 6.690) 44.992 12.109 ( 39.044 -4.943 -5.646) 39.758 12.371 ( -2.481 5.343 0.439) 5.907 12.527 ( -10.247 -0.458 -11.192) 15.181 12.914 ( -13.092 0.523 1.129) 13.151 12.939 ( -13.006 -0.089 -1.397) 13.081 13.587 ( 3.710 0.723 0.289) 3.791 13.591 ( 3.524 0.733 -0.166) 3.603 14.115 ( -2.829 0.465 0.665) 2.943 14.130 ( -2.874 0.197 -0.978) 3.042 14.520 ( -9.876 -0.587 2.998) 10.338 14.575 ( -10.299 -1.895 -2.501) 10.766 17.147 ( -0.443 2.188 4.280) 4.827 17.207 ( -1.549 1.842 -1.903) 3.068 17.401 ( -7.170 -3.473 3.341) 8.639 17.425 ( -6.612 -3.220 0.661) 7.384 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.38 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 6.833 0.061 6.175) 9.211 1.132 ( 3.911 -3.527 -5.469) 7.592 1.244 ( 7.934 9.441 5.069) 13.333 1.366 ( 4.322 8.210 -6.748) 11.472 1.446 ( 1.297 5.028 2.084) 5.595 1.516 ( -1.425 4.074 -4.696) 6.378 1.644 ( -11.354 0.006 1.864) 11.506 1.687 ( -11.887 -1.622 -1.996) 12.162 1.874 ( -1.425 0.482 2.809) 3.187 1.888 ( -2.062 -0.783 2.361) 3.231 1.938 ( 0.658 -0.509 1.181) 1.445 1.972 ( -4.078 -0.547 -1.907) 4.535 2.068 ( -2.355 0.646 3.217) 4.038 2.108 ( -2.607 -0.735 0.530) 2.760 2.161 ( -1.186 -2.003 0.213) 2.338 2.193 ( -3.373 -1.796 -2.387) 4.505 2.219 ( -2.083 0.783 2.065) 3.036 2.269 ( 2.482 3.004 -2.617) 4.694 2.300 ( -2.741 2.165 3.310) 4.812 2.419 ( -2.721 1.889 -7.900) 8.566 2.676 ( 2.500 -5.041 0.154) 5.629 2.681 ( 0.925 -4.353 -0.051) 4.451 2.775 ( 1.295 -6.045 1.093) 6.278 2.795 ( 0.168 -6.745 -0.600) 6.773 2.930 ( 2.474 0.500 4.513) 5.171 2.965 ( 4.146 -2.068 1.950) 5.026 3.046 ( 5.411 2.601 2.931) 6.681 3.126 ( 3.761 -0.388 -2.798) 4.703 3.164 ( 1.327 3.815 0.602) 4.084 3.200 ( 2.853 2.353 -3.694) 5.227 3.378 ( -4.612 0.698 2.565) 5.323 3.438 ( -4.574 -0.617 -2.883) 5.442 3.670 ( 18.141 -1.642 0.707) 18.228 3.697 ( 17.947 -1.854 -1.912) 18.143 3.972 ( 7.203 1.244 -0.892) 7.364 3.997 ( 7.195 0.555 -3.091) 7.850 4.142 ( -0.569 0.819 -2.278) 2.487 4.173 ( -1.073 0.043 -5.180) 5.290 4.360 ( -8.125 0.243 0.394) 8.138 4.382 ( -8.078 -0.210 -1.591) 8.236 4.892 ( 7.575 0.659 2.987) 8.170 4.918 ( 8.149 0.122 0.814) 8.190 5.320 ( -13.223 0.234 -2.612) 13.480 5.360 ( -13.155 -0.672 -6.244) 14.577 5.674 ( 11.596 1.703 2.067) 11.901 5.691 ( 10.941 1.310 0.254) 11.022 6.355 ( -14.589 0.173 3.956) 15.117 6.373 ( -14.904 -0.240 2.160) 15.062 7.195 ( 15.585 0.825 1.122) 15.647 7.213 ( 14.710 0.529 -0.885) 14.746 7.763 ( -10.820 -1.729 2.078) 11.153 7.771 ( -11.067 -2.089 1.428) 11.353 10.695 ( 34.534 0.535 0.591) 34.543 10.707 ( 34.076 0.293 -0.685) 34.084 11.041 ( 12.144 0.793 2.650) 12.455 11.094 ( 11.903 -0.427 -2.757) 12.226 12.141 ( -6.570 2.313 8.478) 10.972 12.301 ( -8.408 -1.479 -7.488) 11.356 12.564 ( -19.095 0.281 1.776) 19.179 12.601 ( -17.691 -0.630 -1.940) 17.808 12.845 ( 36.502 2.579 4.403) 36.857 13.011 ( 34.788 -1.591 -12.429) 36.976 13.642 ( 0.085 0.954 0.639) 1.151 13.657 ( 1.972 0.472 -0.751) 2.162 14.051 ( -3.084 0.440 0.934) 3.252 14.065 ( -3.201 0.285 -0.519) 3.256 14.281 ( -12.512 -1.082 1.475) 12.645 14.323 ( -13.568 -2.093 -2.872) 14.025 17.153 ( 1.111 1.032 2.759) 3.148 17.184 ( -0.410 0.933 -0.499) 1.135 17.274 ( -4.785 -1.689 3.050) 5.920 17.299 ( -5.369 -1.621 0.291) 5.616 ======================= Grid point 148 (55/60) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -6.027 0.830 -0.621) 6.115 1.195 ( 6.027 0.830 -0.621) 6.115 1.344 ( -1.670 0.752 1.102) 2.137 1.344 ( 1.670 0.752 1.102) 2.137 1.477 ( -3.898 3.296 -0.660) 5.147 1.477 ( 3.898 3.296 -0.660) 5.147 1.503 ( -2.823 4.193 -1.978) 5.428 1.503 ( 2.823 4.193 -1.978) 5.428 1.870 ( -1.806 2.788 2.389) 4.092 1.870 ( 1.806 2.788 2.389) 4.092 1.924 ( -1.597 1.736 -2.361) 3.337 1.924 ( 1.597 1.736 -2.361) 3.337 2.055 ( -1.693 -3.637 2.742) 4.859 2.055 ( 1.693 -3.637 2.742) 4.859 2.152 ( -0.633 -5.246 -1.758) 5.568 2.152 ( 0.633 -5.246 -1.758) 5.568 2.229 ( -2.458 3.278 5.468) 6.833 2.229 ( 2.458 3.278 5.468) 6.833 2.355 ( -3.595 2.683 -6.790) 8.138 2.355 ( 3.595 2.683 -6.790) 8.138 2.694 ( -0.369 -5.419 0.318) 5.441 2.694 ( 0.369 -5.419 0.318) 5.441 2.787 ( -0.575 -5.955 -0.443) 5.999 2.787 ( 0.575 -5.955 -0.442) 5.999 2.981 ( -1.775 3.833 1.696) 4.552 2.981 ( 1.775 3.833 1.696) 4.552 3.114 ( -1.829 -1.381 1.264) 2.617 3.114 ( 1.829 -1.381 1.264) 2.617 3.259 ( -6.104 1.843 2.173) 6.737 3.259 ( 6.104 1.843 2.173) 6.737 3.326 ( -5.982 -0.534 -3.838) 7.127 3.326 ( 5.982 -0.534 -3.838) 7.127 4.040 ( -3.478 -0.118 -2.112) 4.070 4.040 ( 3.478 -0.118 -2.112) 4.070 4.078 ( -5.765 -0.872 0.220) 5.835 4.078 ( 5.765 -0.872 0.220) 5.835 4.114 ( -7.866 0.850 -1.017) 7.977 4.114 ( 7.866 0.850 -1.017) 7.977 4.152 ( -0.821 0.207 -2.487) 2.627 4.152 ( 0.821 0.207 -2.487) 2.627 5.031 ( -2.852 1.735 -1.884) 3.833 5.031 ( 2.852 1.735 -1.884) 3.833 5.153 ( -3.256 -1.396 -2.444) 4.303 5.153 ( 3.256 -1.396 -2.444) 4.303 5.884 ( -0.748 3.828 2.391) 4.575 5.884 ( 0.748 3.828 2.391) 4.575 6.129 ( -0.904 -2.142 2.390) 3.334 6.129 ( 0.904 -2.142 2.390) 3.334 7.492 ( -3.234 -0.224 1.085) 3.419 7.492 ( 3.234 -0.224 1.085) 3.419 7.525 ( -3.014 -1.216 0.766) 3.339 7.525 ( 3.014 -1.216 0.766) 3.339 11.101 ( -0.535 1.793 0.132) 1.876 11.101 ( 0.535 1.793 0.132) 1.876 11.227 ( -2.600 -1.401 0.036) 2.954 11.227 ( 2.600 -1.401 0.036) 2.954 12.179 ( -13.213 1.542 4.788) 14.138 12.179 ( 13.213 1.542 4.788) 14.138 12.277 ( -9.078 -0.894 -5.142) 10.471 12.277 ( 9.078 -0.894 -5.142) 10.471 13.454 ( -17.871 2.025 3.133) 18.256 13.454 ( 17.871 2.025 3.133) 18.256 13.565 ( -13.099 -0.575 -5.648) 14.276 13.565 ( 13.099 -0.575 -5.648) 14.276 14.020 ( -0.807 0.310 0.722) 1.126 14.020 ( 0.807 0.310 0.722) 1.126 14.121 ( -1.143 -2.079 -1.769) 2.959 14.121 ( 1.143 -2.079 -1.769) 2.959 17.186 ( -0.847 0.187 1.287) 1.552 17.186 ( 0.847 0.187 1.287) 1.552 17.220 ( -0.984 -0.665 1.271) 1.739 17.220 ( 0.984 -0.665 1.271) 1.739 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 0.000 6.307 8.470) 10.560 1.064 ( 0.000 1.797 7.162) 7.384 1.160 ( 0.000 -2.614 4.126) 4.884 1.188 ( 0.000 -4.071 1.767) 4.438 1.477 ( 0.000 11.094 -1.739) 11.229 1.551 ( 0.000 7.051 -4.910) 8.592 1.674 ( 0.000 -4.229 -1.766) 4.583 1.724 ( 0.000 3.212 -3.234) 4.558 1.731 ( 0.000 -4.434 -0.833) 4.512 1.755 ( 0.000 3.833 -1.012) 3.964 1.916 ( 0.000 2.054 -1.379) 2.473 1.937 ( 0.000 2.522 -0.709) 2.620 2.053 ( 0.000 -4.027 6.205) 7.397 2.099 ( 0.000 -3.275 4.991) 5.970 2.219 ( 0.000 3.469 3.239) 4.746 2.242 ( 0.000 1.475 2.529) 2.927 2.383 ( 0.000 3.274 -8.423) 9.037 2.428 ( 0.000 -2.038 -10.577) 10.772 2.524 ( 0.000 -1.965 3.868) 4.339 2.539 ( 0.000 -2.959 2.690) 3.999 2.590 ( 0.000 1.241 3.163) 3.398 2.656 ( 0.000 -5.196 -2.300) 5.683 2.779 ( 0.000 1.860 -0.069) 1.861 2.786 ( 0.000 1.146 0.137) 1.155 2.811 ( 0.000 -1.935 1.536) 2.471 2.818 ( 0.000 -2.630 0.329) 2.650 2.861 ( 0.000 0.015 2.263) 2.263 2.904 ( 0.000 -3.672 -1.448) 3.947 3.183 ( 0.000 1.985 1.572) 2.532 3.219 ( 0.000 -1.503 -2.276) 2.727 3.298 ( 0.000 0.377 -1.355) 1.407 3.303 ( 0.000 -0.199 -1.967) 1.977 3.430 ( 0.000 -0.984 0.159) 0.996 3.449 ( 0.000 -2.694 -2.202) 3.479 3.590 ( 0.000 1.347 -0.480) 1.430 3.608 ( 0.000 -0.313 -2.108) 2.131 4.186 ( 0.000 1.469 1.132) 1.854 4.204 ( 0.000 -0.507 0.160) 0.532 4.284 ( 0.000 0.543 11.500) 11.513 4.287 ( 0.000 0.236 10.717) 10.720 4.518 ( 0.000 0.378 -11.100) 11.107 4.525 ( 0.000 -0.327 -11.280) 11.285 5.507 ( 0.000 0.650 -1.997) 2.100 5.514 ( 0.000 -0.090 -2.604) 2.605 5.958 ( 0.000 0.099 -1.406) 1.410 5.960 ( 0.000 -0.116 -1.648) 1.652 6.410 ( 0.000 -0.131 1.499) 1.505 6.418 ( 0.000 -1.069 0.666) 1.260 7.162 ( 0.000 5.819 3.726) 6.910 7.172 ( 0.000 4.988 2.508) 5.583 8.009 ( 0.000 -3.038 3.528) 4.656 8.041 ( 0.000 -6.726 0.501) 6.744 8.869 ( 0.000 0.049 0.029) 0.057 8.870 ( 0.000 0.009 -0.009) 0.012 10.532 ( 0.000 1.101 0.760) 1.338 10.545 ( 0.000 -0.229 -0.545) 0.591 10.726 ( 0.000 0.092 0.083) 0.123 10.726 ( 0.000 0.004 0.002) 0.005 12.666 ( 0.000 5.246 0.108) 5.247 12.741 ( 0.000 -2.836 -7.250) 7.785 13.183 ( 0.000 0.542 0.333) 0.636 13.192 ( 0.000 -0.479 -0.646) 0.804 13.522 ( 0.000 0.775 0.039) 0.776 13.522 ( 0.000 0.731 0.004) 0.731 14.187 ( 0.000 0.582 0.056) 0.585 14.194 ( 0.000 -0.116 -0.691) 0.701 14.735 ( 0.000 0.690 2.006) 2.122 14.761 ( 0.000 -1.988 -0.594) 2.075 17.271 ( 0.000 6.662 4.425) 7.998 17.322 ( 0.000 3.465 -1.268) 3.690 17.479 ( 0.000 -8.038 2.444) 8.401 17.481 ( 0.000 -5.787 1.709) 6.034 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.12 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -2.006 5.606 10.294) 11.892 1.128 ( -4.638 -5.459 2.883) 7.722 1.271 ( 12.230 4.573 3.548) 13.530 1.329 ( 11.250 -2.532 -0.786) 11.558 1.433 ( -1.577 12.363 1.085) 12.510 1.576 ( 4.034 8.777 -8.341) 12.762 1.639 ( -2.370 -6.001 2.250) 6.833 1.754 ( 2.039 -5.313 -6.954) 8.986 1.797 ( 6.604 4.364 1.957) 8.154 1.821 ( 6.182 1.925 -0.245) 6.480 1.916 ( -0.329 0.188 -2.452) 2.481 1.928 ( -0.837 -0.294 -0.819) 1.207 2.127 ( 5.973 -1.202 6.331) 8.787 2.152 ( 4.271 -1.976 4.323) 6.390 2.218 ( -0.092 3.856 3.975) 5.539 2.248 ( 0.941 1.060 5.007) 5.204 2.363 ( -2.244 2.824 -6.151) 7.130 2.407 ( -3.925 -2.057 -3.020) 5.363 2.488 ( -1.652 -1.932 -1.207) 2.814 2.505 ( -3.364 -1.886 -1.413) 4.107 2.557 ( -2.021 0.793 2.540) 3.342 2.616 ( -3.893 -3.565 -2.349) 5.778 2.707 ( -5.726 0.761 0.531) 5.801 2.729 ( -5.561 -2.373 -0.993) 6.127 2.815 ( -0.051 -0.869 2.863) 2.992 2.827 ( -0.049 -2.323 3.085) 3.862 2.861 ( 1.803 0.073 -1.752) 2.515 2.898 ( 1.074 -3.255 -2.987) 4.546 3.190 ( 1.110 2.097 2.026) 3.120 3.222 ( 0.858 -1.230 -1.393) 2.047 3.385 ( -2.009 -0.282 0.512) 2.093 3.405 ( -2.339 -2.096 -2.050) 3.750 3.445 ( 11.446 0.761 -1.717) 11.599 3.456 ( 11.510 -0.445 -2.285) 11.743 3.575 ( -0.389 0.995 0.151) 1.079 3.588 ( -1.277 -0.094 -1.066) 1.666 4.183 ( -0.198 1.604 -0.469) 1.683 4.203 ( -0.266 -0.518 -2.451) 2.520 4.362 ( 5.464 0.858 7.958) 9.691 4.375 ( 6.159 -0.631 7.740) 9.912 4.569 ( 5.245 1.004 -6.520) 8.428 4.586 ( 5.721 -0.866 -7.044) 9.116 5.493 ( -0.700 0.751 -1.484) 1.805 5.502 ( -0.569 -0.194 -2.319) 2.396 5.866 ( -8.709 0.271 -2.509) 9.068 5.871 ( -8.377 -0.229 -2.945) 8.883 6.504 ( 7.848 -0.526 1.608) 8.028 6.513 ( 7.728 -1.565 0.689) 7.915 7.072 ( -7.340 5.515 3.909) 9.978 7.088 ( -6.936 4.048 2.115) 8.305 7.978 ( -2.749 -2.766 3.065) 4.960 7.997 ( -3.625 -4.981 1.382) 6.313 9.175 ( 27.724 0.535 0.149) 27.729 9.181 ( 27.967 -0.135 -0.486) 27.972 10.602 ( 7.024 1.014 0.705) 7.131 10.615 ( 7.187 -0.367 -0.625) 7.223 11.122 ( 34.994 1.377 0.990) 35.035 11.156 ( 37.133 -2.298 -2.504) 37.288 12.605 ( -5.788 5.065 -0.385) 7.701 12.676 ( -6.144 -2.664 -7.310) 9.914 13.121 ( -6.120 0.557 0.358) 6.156 13.130 ( -6.127 -0.455 -0.613) 6.175 13.542 ( 1.969 0.742 0.168) 2.111 13.544 ( 2.042 0.539 -0.047) 2.113 14.171 ( -1.518 0.576 0.106) 1.627 14.178 ( -1.526 -0.113 -0.629) 1.654 14.677 ( -5.503 0.563 1.917) 5.854 14.701 ( -5.622 -1.978 -0.537) 5.984 17.248 ( -1.974 5.737 4.392) 7.490 17.298 ( -2.181 2.692 -1.036) 3.616 17.429 ( -4.233 -5.883 2.999) 7.843 17.445 ( -3.440 -5.469 1.019) 6.541 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.25 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -1.640 2.274 6.008) 6.630 1.037 ( -2.690 -4.715 -0.214) 5.432 1.371 ( 2.205 12.978 3.685) 13.670 1.448 ( 3.772 5.125 -5.026) 8.109 1.513 ( 3.313 5.259 3.327) 7.050 1.610 ( 0.778 3.638 -4.373) 5.742 1.688 ( 2.635 -5.282 2.021) 6.239 1.754 ( -1.899 -2.096 -2.518) 3.787 1.870 ( -1.370 -1.341 -1.791) 2.624 1.895 ( -1.271 -4.870 -3.455) 6.105 1.952 ( 2.458 1.700 2.019) 3.606 1.975 ( 1.305 -0.319 -0.502) 1.435 2.166 ( -2.170 1.306 1.866) 3.146 2.171 ( -3.157 0.494 1.843) 3.689 2.228 ( -2.071 1.855 4.005) 4.876 2.255 ( -4.651 -0.554 2.531) 5.324 2.297 ( -2.357 3.806 1.466) 4.710 2.368 ( 2.434 -2.539 3.596) 5.030 2.387 ( -5.730 3.374 -2.567) 7.128 2.463 ( -1.988 -2.927 -4.887) 6.034 2.532 ( 0.868 1.784 1.028) 2.234 2.567 ( 2.767 -2.065 -0.321) 3.467 2.638 ( 0.497 -3.176 -1.004) 3.368 2.664 ( -0.506 -6.327 -1.478) 6.516 2.825 ( 2.675 -0.193 5.733) 6.330 2.846 ( 2.632 -2.175 5.850) 6.774 2.949 ( 6.817 0.063 -5.767) 8.929 2.961 ( 5.183 -1.222 -4.694) 7.098 3.232 ( 1.664 3.120 2.566) 4.368 3.261 ( 0.949 0.375 -0.048) 1.022 3.373 ( 4.170 -0.367 -0.886) 4.279 3.390 ( 3.738 -2.082 -2.610) 5.012 3.496 ( -3.048 0.633 -0.469) 3.149 3.515 ( -3.109 -0.990 -1.848) 3.750 3.770 ( 13.980 0.836 -0.417) 14.011 3.778 ( 13.972 -0.052 -1.142) 14.019 4.177 ( -0.477 1.369 -2.392) 2.797 4.193 ( -0.730 -0.339 -4.011) 4.091 4.436 ( 0.855 0.729 -0.016) 1.124 4.449 ( 0.363 -0.648 -1.241) 1.446 4.728 ( 9.076 0.692 2.952) 9.569 4.740 ( 8.476 -0.607 1.825) 8.691 5.520 ( 3.989 0.843 -0.193) 4.082 5.530 ( 3.896 -0.191 -1.180) 4.076 5.627 ( -13.263 0.716 -3.511) 13.739 5.639 ( -12.999 -0.516 -4.646) 13.814 6.594 ( -4.192 -0.552 2.873) 5.112 6.600 ( -4.105 -1.141 2.330) 4.856 6.991 ( 4.320 3.814 2.062) 6.121 7.010 ( 3.900 1.899 0.017) 4.337 7.894 ( -5.781 -1.972 2.381) 6.556 7.899 ( -6.167 -2.674 1.960) 7.002 9.901 ( 40.093 0.700 0.299) 40.101 9.910 ( 40.026 -0.193 -0.557) 40.030 10.805 ( 11.990 1.201 0.828) 12.078 10.822 ( 12.240 -0.678 -0.979) 12.298 11.980 ( 43.372 1.961 4.162) 43.616 12.030 ( 40.957 -3.556 0.451) 41.114 12.457 ( -5.532 3.819 -5.607) 8.754 12.508 ( -8.770 -1.771 -9.034) 12.714 12.926 ( -12.854 0.638 0.387) 12.876 12.935 ( -12.812 -0.372 -0.586) 12.831 13.600 ( 3.493 0.581 0.212) 3.547 13.603 ( 3.438 0.353 -0.045) 3.457 14.126 ( -2.811 0.588 0.248) 2.882 14.132 ( -2.806 -0.085 -0.471) 2.846 14.515 ( -10.187 0.287 1.462) 10.295 14.536 ( -10.350 -1.935 -0.672) 10.550 17.204 ( -1.917 3.801 3.915) 5.784 17.245 ( -2.611 1.227 -0.232) 2.895 17.329 ( -4.926 -2.816 2.936) 6.389 17.356 ( -4.804 -3.834 0.164) 6.149 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.38 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 7.131 1.713 2.394) 7.715 1.066 ( 6.091 -3.232 -2.047) 7.193 1.443 ( 3.085 10.112 3.153) 11.033 1.500 ( 0.019 3.884 -1.792) 4.278 1.551 ( 0.447 4.588 -0.821) 4.682 1.570 ( -9.430 2.291 -1.704) 9.852 1.637 ( -4.120 -2.098 0.109) 4.624 1.655 ( -7.145 -1.092 -1.946) 7.485 1.850 ( 2.345 -0.589 0.853) 2.564 1.878 ( 0.735 -2.031 -0.194) 2.169 1.923 ( 0.115 -0.244 1.323) 1.350 1.947 ( -0.604 -2.140 -1.397) 2.626 2.083 ( -4.513 1.131 0.660) 4.699 2.099 ( -5.355 -0.377 -0.880) 5.440 2.147 ( -6.162 -0.073 1.436) 6.327 2.156 ( -6.684 -1.037 0.115) 6.765 2.258 ( 0.024 3.024 4.221) 5.192 2.306 ( 1.915 -0.674 0.100) 2.032 2.353 ( -2.149 4.349 1.688) 5.136 2.425 ( -2.178 -2.204 -4.528) 5.487 2.610 ( 2.192 -0.397 -1.026) 2.453 2.617 ( 0.940 -0.877 -1.231) 1.780 2.663 ( 0.841 -5.572 -0.457) 5.653 2.673 ( 0.550 -5.844 -1.372) 6.028 2.931 ( 5.439 -0.111 4.358) 6.971 2.935 ( 6.607 -0.778 4.223) 7.880 3.087 ( 4.895 1.569 -0.104) 5.142 3.111 ( 4.989 -1.150 -1.943) 5.476 3.218 ( -0.614 1.949 0.210) 2.054 3.231 ( -0.893 0.616 -1.117) 1.557 3.402 ( -4.654 1.550 0.291) 4.914 3.424 ( -4.696 -0.887 -1.703) 5.073 3.647 ( 19.630 -0.426 -0.350) 19.637 3.660 ( 19.224 -1.699 -1.602) 19.365 3.994 ( 7.484 0.937 -1.431) 7.677 4.003 ( 7.524 -0.053 -2.197) 7.839 4.159 ( -1.311 0.914 -3.442) 3.795 4.171 ( -1.443 -0.341 -4.502) 4.740 4.367 ( -8.219 0.444 -0.238) 8.234 4.375 ( -8.198 -0.455 -1.055) 8.278 4.907 ( 8.264 0.774 2.564) 8.688 4.917 ( 8.518 -0.296 1.692) 8.690 5.328 ( -13.506 0.708 -3.854) 14.063 5.344 ( -13.439 -0.957 -5.274) 14.469 5.705 ( 12.490 1.329 1.461) 12.645 5.712 ( 12.247 0.587 0.728) 12.283 6.359 ( -15.319 0.302 3.543) 15.726 6.366 ( -15.383 -0.437 2.826) 15.646 7.212 ( 13.763 0.922 0.717) 13.813 7.221 ( 13.328 0.081 -0.175) 13.329 7.733 ( -9.844 -1.135 1.765) 10.065 7.735 ( -9.857 -1.363 1.610) 10.081 10.705 ( 34.700 0.522 0.263) 34.705 10.711 ( 34.580 -0.016 -0.269) 34.581 11.060 ( 11.468 1.204 0.975) 11.573 11.081 ( 11.436 -0.998 -1.156) 11.538 12.197 ( -6.770 3.547 4.682) 8.963 12.259 ( -7.502 -3.056 -1.301) 8.205 12.573 ( -17.732 0.696 0.500) 17.752 12.587 ( -17.333 -0.827 -0.888) 17.376 12.905 ( 34.990 3.633 -2.030) 35.237 12.968 ( 34.689 -3.066 -8.278) 35.795 13.660 ( 0.815 0.717 0.154) 1.096 13.664 ( 1.507 0.191 -0.320) 1.553 14.062 ( -3.010 0.694 0.422) 3.118 14.069 ( -2.998 0.033 -0.310) 3.014 14.264 ( -13.461 -0.266 0.458) 13.472 14.281 ( -13.865 -2.001 -1.270) 14.067 17.180 ( -0.271 1.839 2.735) 3.306 17.203 ( -1.279 0.350 0.630) 1.468 17.242 ( -3.297 -0.906 2.097) 4.011 17.263 ( -3.942 -2.109 0.178) 4.474 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -4.766 3.343 -0.736) 5.868 1.234 ( 4.766 3.343 -0.736) 5.868 1.305 ( -3.201 -3.937 -0.778) 5.133 1.305 ( 3.201 -3.937 -0.778) 5.133 1.563 ( -3.070 4.685 0.867) 5.668 1.563 ( 3.070 4.685 0.867) 5.668 1.587 ( -2.411 2.646 -1.482) 3.874 1.587 ( 2.411 2.646 -1.482) 3.874 1.928 ( -2.042 3.045 1.440) 3.939 1.928 ( 2.042 3.045 1.440) 3.939 1.952 ( -2.942 0.878 -0.461) 3.105 1.952 ( 2.942 0.878 -0.461) 3.105 2.003 ( -1.574 -1.197 0.632) 2.076 2.003 ( 1.574 -1.197 0.632) 2.076 2.048 ( -1.253 -5.353 -1.108) 5.608 2.048 ( 1.253 -5.353 -1.108) 5.608 2.301 ( -2.801 4.534 3.603) 6.433 2.301 ( 2.801 4.534 3.603) 6.433 2.370 ( -3.188 -1.771 -2.746) 4.565 2.370 ( 3.188 -1.771 -2.746) 4.565 2.625 ( -0.126 -0.911 -0.521) 1.057 2.625 ( 0.126 -0.911 -0.521) 1.057 2.672 ( -0.363 -5.419 -1.025) 5.527 2.672 ( 0.363 -5.419 -1.025) 5.527 3.040 ( -1.938 2.616 1.657) 3.653 3.040 ( 1.938 2.616 1.657) 3.653 3.081 ( -2.120 -2.032 1.914) 3.505 3.081 ( 2.120 -2.032 1.914) 3.505 3.292 ( -5.602 1.558 -0.396) 5.828 3.292 ( 5.602 1.558 -0.396) 5.828 3.314 ( -5.834 -0.870 -2.356) 6.352 3.314 ( 5.834 -0.870 -2.356) 6.352 4.043 ( -5.807 0.502 -1.173) 5.945 4.043 ( 5.807 0.502 -1.173) 5.945 4.058 ( -4.945 -1.073 -0.777) 5.119 4.058 ( 4.945 -1.073 -0.777) 5.119 4.134 ( -2.447 1.140 -1.633) 3.155 4.134 ( 2.447 1.140 -1.633) 3.155 4.150 ( -1.073 -0.531 -2.032) 2.359 4.150 ( 1.073 -0.531 -2.032) 2.359 5.072 ( -3.055 2.564 -2.038) 4.479 5.072 ( 3.055 2.564 -2.038) 4.479 5.118 ( -3.211 -2.353 -2.238) 4.567 5.118 ( 3.211 -2.353 -2.238) 4.567 5.973 ( -0.803 5.494 2.456) 6.071 5.973 ( 0.803 5.494 2.456) 6.071 6.068 ( -0.877 -4.458 2.464) 5.169 6.068 ( 0.877 -4.458 2.464) 5.169 7.490 ( -3.027 0.188 0.996) 3.192 7.490 ( 3.027 0.188 0.996) 3.192 7.502 ( -2.898 -1.076 0.877) 3.213 7.502 ( 2.898 -1.076 0.877) 3.213 11.143 ( -1.220 2.678 0.054) 2.944 11.143 ( 1.220 2.678 0.054) 2.944 11.192 ( -2.017 -2.441 0.024) 3.167 11.192 ( 2.017 -2.441 0.024) 3.167 12.215 ( -11.690 2.190 1.969) 12.055 12.215 ( 11.690 2.190 1.969) 12.055 12.252 ( -10.074 -1.788 -1.822) 10.393 12.252 ( 10.074 -1.788 -1.822) 10.393 13.500 ( -16.778 2.734 0.150) 17.000 13.500 ( 16.778 2.734 0.150) 17.000 13.544 ( -14.890 -1.807 -3.252) 15.348 13.544 ( 14.890 -1.807 -3.252) 15.348 14.036 ( -0.635 1.505 0.050) 1.634 14.036 ( 0.635 1.505 0.050) 1.634 14.075 ( -0.417 -2.628 -0.891) 2.806 14.075 ( 0.417 -2.628 -0.891) 2.806 17.192 ( -0.887 0.539 1.275) 1.644 17.192 ( 0.887 0.539 1.275) 1.644 17.205 ( -0.941 -0.834 1.270) 1.787 17.205 ( 0.941 -0.834 1.270) 1.787 =================== 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 3/20160 10.0 164.782 181.133 192.568 0.000 0.000 0.000 3/20160 20.0 33.162 34.748 26.398 0.000 0.000 0.000 3/20160 30.0 14.456 15.006 10.711 0.000 0.000 0.000 3/20160 40.0 8.830 9.011 6.294 0.000 0.000 0.000 3/20160 50.0 6.369 6.339 4.391 0.000 0.000 0.000 3/20160 60.0 5.048 4.872 3.367 0.000 0.000 0.000 3/20160 70.0 4.246 3.957 2.737 0.000 0.000 0.000 3/20160 80.0 3.718 3.335 2.312 0.000 0.000 0.000 3/20160 90.0 3.347 2.886 2.007 0.000 0.000 0.000 3/20160 100.0 3.071 2.547 1.779 0.000 0.000 0.000 3/20160 110.0 2.856 2.282 1.601 0.000 0.000 0.000 3/20160 120.0 2.681 2.070 1.460 0.000 0.000 0.000 3/20160 130.0 2.534 1.895 1.344 0.000 0.000 0.000 3/20160 140.0 2.407 1.750 1.248 0.000 0.000 0.000 3/20160 150.0 2.295 1.626 1.166 0.000 0.000 0.000 3/20160 160.0 2.194 1.520 1.097 0.000 0.000 0.000 3/20160 170.0 2.103 1.428 1.037 0.000 0.000 0.000 3/20160 180.0 2.020 1.347 0.984 0.000 0.000 0.000 3/20160 190.0 1.944 1.275 0.937 0.000 0.000 0.000 3/20160 200.0 1.873 1.211 0.895 0.000 0.000 0.000 3/20160 210.0 1.807 1.154 0.858 0.000 0.000 0.000 3/20160 220.0 1.745 1.102 0.824 0.000 0.000 0.000 3/20160 230.0 1.687 1.055 0.793 0.000 0.000 0.000 3/20160 240.0 1.633 1.012 0.765 0.000 0.000 0.000 3/20160 250.0 1.582 0.972 0.739 0.000 0.000 0.000 3/20160 260.0 1.534 0.936 0.714 0.000 0.000 0.000 3/20160 270.0 1.489 0.902 0.692 0.000 0.000 0.000 3/20160 280.0 1.446 0.871 0.671 0.000 0.000 0.000 3/20160 290.0 1.406 0.842 0.651 0.000 0.000 0.000 3/20160 300.0 1.367 0.815 0.633 0.000 0.000 0.000 3/20160 310.0 1.331 0.790 0.616 0.000 0.000 0.000 3/20160 320.0 1.296 0.766 0.599 0.000 0.000 0.000 3/20160 330.0 1.263 0.744 0.584 0.000 0.000 0.000 3/20160 340.0 1.231 0.723 0.569 0.000 0.000 0.000 3/20160 350.0 1.201 0.703 0.556 0.000 0.000 0.000 3/20160 360.0 1.173 0.684 0.542 0.000 0.000 0.000 3/20160 370.0 1.145 0.666 0.530 0.000 0.000 0.000 3/20160 380.0 1.119 0.650 0.518 0.000 0.000 0.000 3/20160 390.0 1.094 0.634 0.507 0.000 0.000 0.000 3/20160 400.0 1.070 0.618 0.496 0.000 0.000 0.000 3/20160 410.0 1.047 0.604 0.485 0.000 0.000 0.000 3/20160 420.0 1.025 0.590 0.475 0.000 0.000 0.000 3/20160 430.0 1.004 0.577 0.466 0.000 0.000 0.000 3/20160 440.0 0.984 0.564 0.457 0.000 0.000 0.000 3/20160 450.0 0.964 0.552 0.448 0.000 0.000 0.000 3/20160 460.0 0.945 0.541 0.439 0.000 0.000 0.000 3/20160 470.0 0.927 0.530 0.431 0.000 0.000 0.000 3/20160 480.0 0.910 0.519 0.423 0.000 0.000 0.000 3/20160 490.0 0.893 0.509 0.416 0.000 0.000 0.000 3/20160 500.0 0.877 0.499 0.408 0.000 0.000 0.000 3/20160 510.0 0.861 0.490 0.401 0.000 0.000 0.000 3/20160 520.0 0.846 0.480 0.394 0.000 0.000 0.000 3/20160 530.0 0.831 0.472 0.388 0.000 0.000 0.000 3/20160 540.0 0.817 0.463 0.381 0.000 0.000 0.000 3/20160 550.0 0.803 0.455 0.375 0.000 0.000 0.000 3/20160 560.0 0.790 0.447 0.369 0.000 0.000 0.000 3/20160 570.0 0.777 0.440 0.363 0.000 0.000 0.000 3/20160 580.0 0.765 0.432 0.358 0.000 0.000 0.000 3/20160 590.0 0.753 0.425 0.352 0.000 0.000 0.000 3/20160 600.0 0.741 0.418 0.347 0.000 0.000 0.000 3/20160 610.0 0.730 0.412 0.342 0.000 0.000 0.000 3/20160 620.0 0.719 0.405 0.337 0.000 0.000 0.000 3/20160 630.0 0.708 0.399 0.332 0.000 0.000 0.000 3/20160 640.0 0.698 0.393 0.328 0.000 0.000 0.000 3/20160 650.0 0.688 0.387 0.323 0.000 0.000 0.000 3/20160 660.0 0.678 0.381 0.318 0.000 0.000 0.000 3/20160 670.0 0.668 0.376 0.314 0.000 0.000 0.000 3/20160 680.0 0.659 0.371 0.310 0.000 0.000 0.000 3/20160 690.0 0.650 0.365 0.306 0.000 0.000 0.000 3/20160 700.0 0.641 0.360 0.302 0.000 0.000 0.000 3/20160 710.0 0.633 0.355 0.298 0.000 0.000 0.000 3/20160 720.0 0.624 0.351 0.294 0.000 0.000 0.000 3/20160 730.0 0.616 0.346 0.291 0.000 0.000 0.000 3/20160 740.0 0.608 0.341 0.287 0.000 0.000 0.000 3/20160 750.0 0.601 0.337 0.283 0.000 0.000 0.000 3/20160 760.0 0.593 0.333 0.280 0.000 0.000 0.000 3/20160 770.0 0.586 0.328 0.277 0.000 0.000 0.000 3/20160 780.0 0.579 0.324 0.273 0.000 0.000 0.000 3/20160 790.0 0.572 0.320 0.270 0.000 0.000 0.000 3/20160 800.0 0.565 0.316 0.267 0.000 0.000 0.000 3/20160 810.0 0.558 0.313 0.264 0.000 0.000 0.000 3/20160 820.0 0.552 0.309 0.261 0.000 0.000 0.000 3/20160 830.0 0.545 0.305 0.258 0.000 0.000 0.000 3/20160 840.0 0.539 0.302 0.255 0.000 0.000 0.000 3/20160 850.0 0.533 0.298 0.252 0.000 0.000 0.000 3/20160 860.0 0.527 0.295 0.250 0.000 0.000 0.000 3/20160 870.0 0.521 0.292 0.247 0.000 0.000 0.000 3/20160 880.0 0.516 0.288 0.244 0.000 0.000 0.000 3/20160 890.0 0.510 0.285 0.242 0.000 0.000 0.000 3/20160 900.0 0.505 0.282 0.239 0.000 0.000 0.000 3/20160 910.0 0.499 0.279 0.237 0.000 0.000 0.000 3/20160 920.0 0.494 0.276 0.235 0.000 0.000 0.000 3/20160 930.0 0.489 0.273 0.232 0.000 0.000 0.000 3/20160 940.0 0.484 0.270 0.230 0.000 0.000 0.000 3/20160 950.0 0.479 0.267 0.228 0.000 0.000 0.000 3/20160 960.0 0.474 0.265 0.225 0.000 0.000 0.000 3/20160 970.0 0.469 0.262 0.223 0.000 0.000 0.000 3/20160 980.0 0.465 0.259 0.221 0.000 0.000 0.000 3/20160 990.0 0.460 0.257 0.219 0.000 0.000 0.000 3/20160 1000.0 0.456 0.254 0.217 0.000 0.000 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m857.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:59:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|