----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:18:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.087406740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.220291369999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.833751470000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.84176705957441 0.50999547685465 6.941 2 Li 0.50000000000000 0.15823294042559 0.00999547685465 6.941 *3 Li 0.25292932648202 0.32716056432972 0.50900519495699 6.941 4 Li 0.24707067351798 0.67283943567028 0.00900519495699 6.941 5 Li 0.75292932648202 0.67283943567028 0.00900519495699 6.941 6 Li 0.74707067351798 0.32716056432972 0.50900519495699 6.941 *7 O 0.79080613807470 0.31405970211328 0.10774255619909 15.999 *8 O 0.50000000000000 0.10733950525714 0.60368943871153 15.999 *9 O 0.50000000000000 0.82016225871350 0.18048033242815 15.999 10 O 0.00000000000000 0.17983774128650 0.68048033242815 15.999 11 O 0.29080613807470 0.68594029788672 0.60774255619909 15.999 12 O 0.20919386192530 0.31405970211328 0.10774255619909 15.999 13 O 0.00000000000000 0.89266049474286 0.10368943871153 15.999 14 O 0.70919386192530 0.68594029788672 0.60774255619909 15.999 *15 P 0.50000000000000 0.82545139610662 0.50123922969350 30.974 16 P 0.00000000000000 0.17454860389338 0.00123922969350 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.087406740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.220291369999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.833751470000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.84176705957441 0.50999547685465 6.941 > 1 2 Li 0.50000000000000 0.15823294042559 0.00999547685465 6.941 > 2 *3 Li 0.25292932648202 0.32716056432972 0.50900519495699 6.941 > 3 4 Li 0.24707067351798 0.67283943567028 0.00900519495699 6.941 > 4 5 Li 0.75292932648202 0.67283943567028 0.00900519495699 6.941 > 5 6 Li 0.74707067351798 0.32716056432972 0.50900519495699 6.941 > 6 *7 O 0.79080613807470 0.31405970211328 0.10774255619909 15.999 > 7 *8 O 0.50000000000000 0.10733950525714 0.60368943871153 15.999 > 8 *9 O 0.50000000000000 0.82016225871350 0.18048033242815 15.999 > 9 10 O 0.00000000000000 0.17983774128650 0.68048033242815 15.999 > 10 11 O 0.29080613807470 0.68594029788672 0.60774255619909 15.999 > 11 12 O 0.20919386192530 0.31405970211328 0.10774255619909 15.999 > 12 13 O 0.00000000000000 0.89266049474286 0.10368943871153 15.999 > 13 14 O 0.70919386192530 0.68594029788672 0.60774255619909 15.999 > 14 *15 P 0.50000000000000 0.82545139610662 0.50123922969350 30.974 > 15 16 P 0.00000000000000 0.17454860389338 0.00123922969350 30.974 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.174813479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.440582739999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.667502940000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.42088352978721 0.25499773842732 6.941 > 1 2 Li 0.50000000000000 0.42088352978721 0.25499773842732 6.941 > 1 3 Li 0.00000000000000 0.92088352978721 0.25499773842732 6.941 > 1 4 Li 0.50000000000000 0.92088352978721 0.25499773842732 6.941 > 1 5 Li 0.00000000000000 0.42088352978721 0.75499773842732 6.941 > 1 6 Li 0.50000000000000 0.42088352978721 0.75499773842732 6.941 > 1 7 Li 0.00000000000000 0.92088352978721 0.75499773842732 6.941 > 1 8 Li 0.50000000000000 0.92088352978721 0.75499773842732 6.941 > 1 9 Li 0.25000000000000 0.07911647021279 0.00499773842732 6.941 > 2 10 Li 0.75000000000000 0.07911647021279 0.00499773842732 6.941 > 2 11 Li 0.25000000000000 0.57911647021279 0.00499773842732 6.941 > 2 12 Li 0.75000000000000 0.57911647021279 0.00499773842732 6.941 > 2 13 Li 0.25000000000000 0.07911647021279 0.50499773842732 6.941 > 2 14 Li 0.75000000000000 0.07911647021279 0.50499773842732 6.941 > 2 15 Li 0.25000000000000 0.57911647021279 0.50499773842732 6.941 > 2 16 Li 0.75000000000000 0.57911647021279 0.50499773842732 6.941 > 2 *17 Li 0.12646466324101 0.16358028216486 0.25450259747850 6.941 > 3 18 Li 0.62646466324101 0.16358028216486 0.25450259747850 6.941 > 3 19 Li 0.12646466324101 0.66358028216486 0.25450259747850 6.941 > 3 20 Li 0.62646466324101 0.66358028216486 0.25450259747850 6.941 > 3 21 Li 0.12646466324101 0.16358028216486 0.75450259747850 6.941 > 3 22 Li 0.62646466324101 0.16358028216486 0.75450259747850 6.941 > 3 23 Li 0.12646466324101 0.66358028216486 0.75450259747850 6.941 > 3 24 Li 0.62646466324101 0.66358028216486 0.75450259747850 6.941 > 3 25 Li 0.12353533675899 0.33641971783514 0.00450259747850 6.941 > 4 26 Li 0.62353533675899 0.33641971783514 0.00450259747850 6.941 > 4 27 Li 0.12353533675899 0.83641971783514 0.00450259747850 6.941 > 4 28 Li 0.62353533675899 0.83641971783514 0.00450259747850 6.941 > 4 29 Li 0.12353533675899 0.33641971783514 0.50450259747850 6.941 > 4 30 Li 0.62353533675899 0.33641971783514 0.50450259747850 6.941 > 4 31 Li 0.12353533675899 0.83641971783514 0.50450259747850 6.941 > 4 32 Li 0.62353533675899 0.83641971783514 0.50450259747850 6.941 > 4 33 Li 0.37646466324101 0.33641971783514 0.00450259747850 6.941 > 5 34 Li 0.87646466324101 0.33641971783514 0.00450259747850 6.941 > 5 35 Li 0.37646466324101 0.83641971783514 0.00450259747850 6.941 > 5 36 Li 0.87646466324101 0.83641971783514 0.00450259747850 6.941 > 5 37 Li 0.37646466324101 0.33641971783514 0.50450259747850 6.941 > 5 38 Li 0.87646466324101 0.33641971783514 0.50450259747850 6.941 > 5 39 Li 0.37646466324101 0.83641971783514 0.50450259747850 6.941 > 5 40 Li 0.87646466324101 0.83641971783514 0.50450259747850 6.941 > 5 41 Li 0.37353533675899 0.16358028216486 0.25450259747850 6.941 > 6 42 Li 0.87353533675899 0.16358028216486 0.25450259747850 6.941 > 6 43 Li 0.37353533675899 0.66358028216486 0.25450259747850 6.941 > 6 44 Li 0.87353533675899 0.66358028216486 0.25450259747850 6.941 > 6 45 Li 0.37353533675899 0.16358028216486 0.75450259747850 6.941 > 6 46 Li 0.87353533675899 0.16358028216486 0.75450259747850 6.941 > 6 47 Li 0.37353533675899 0.66358028216486 0.75450259747850 6.941 > 6 48 Li 0.87353533675899 0.66358028216486 0.75450259747850 6.941 > 6 *49 O 0.39540306903735 0.15702985105664 0.05387127809955 15.999 > 7 50 O 0.89540306903735 0.15702985105664 0.05387127809955 15.999 > 7 51 O 0.39540306903735 0.65702985105664 0.05387127809955 15.999 > 7 52 O 0.89540306903735 0.65702985105664 0.05387127809955 15.999 > 7 53 O 0.39540306903735 0.15702985105664 0.55387127809955 15.999 > 7 54 O 0.89540306903735 0.15702985105664 0.55387127809955 15.999 > 7 55 O 0.39540306903735 0.65702985105664 0.55387127809955 15.999 > 7 56 O 0.89540306903735 0.65702985105664 0.55387127809955 15.999 > 7 *57 O 0.25000000000000 0.05366975262857 0.30184471935577 15.999 > 8 58 O 0.75000000000000 0.05366975262857 0.30184471935577 15.999 > 8 59 O 0.25000000000000 0.55366975262857 0.30184471935577 15.999 > 8 60 O 0.75000000000000 0.55366975262857 0.30184471935577 15.999 > 8 61 O 0.25000000000000 0.05366975262857 0.80184471935577 15.999 > 8 62 O 0.75000000000000 0.05366975262857 0.80184471935577 15.999 > 8 63 O 0.25000000000000 0.55366975262857 0.80184471935577 15.999 > 8 64 O 0.75000000000000 0.55366975262857 0.80184471935577 15.999 > 8 *65 O 0.25000000000000 0.41008112935675 0.09024016621408 15.999 > 9 66 O 0.75000000000000 0.41008112935675 0.09024016621408 15.999 > 9 67 O 0.25000000000000 0.91008112935675 0.09024016621408 15.999 > 9 68 O 0.75000000000000 0.91008112935675 0.09024016621408 15.999 > 9 69 O 0.25000000000000 0.41008112935675 0.59024016621408 15.999 > 9 70 O 0.75000000000000 0.41008112935675 0.59024016621408 15.999 > 9 71 O 0.25000000000000 0.91008112935675 0.59024016621408 15.999 > 9 72 O 0.75000000000000 0.91008112935675 0.59024016621408 15.999 > 9 73 O 0.00000000000000 0.08991887064325 0.34024016621408 15.999 > 10 74 O 0.50000000000000 0.08991887064325 0.34024016621408 15.999 > 10 75 O 0.00000000000000 0.58991887064325 0.34024016621408 15.999 > 10 76 O 0.50000000000000 0.58991887064325 0.34024016621408 15.999 > 10 77 O 0.00000000000000 0.08991887064325 0.84024016621408 15.999 > 10 78 O 0.50000000000000 0.08991887064325 0.84024016621408 15.999 > 10 79 O 0.00000000000000 0.58991887064325 0.84024016621408 15.999 > 10 80 O 0.50000000000000 0.58991887064325 0.84024016621408 15.999 > 10 81 O 0.14540306903735 0.34297014894336 0.30387127809955 15.999 > 11 82 O 0.64540306903735 0.34297014894336 0.30387127809955 15.999 > 11 83 O 0.14540306903735 0.84297014894336 0.30387127809955 15.999 > 11 84 O 0.64540306903735 0.84297014894336 0.30387127809955 15.999 > 11 85 O 0.14540306903735 0.34297014894336 0.80387127809955 15.999 > 11 86 O 0.64540306903735 0.34297014894336 0.80387127809955 15.999 > 11 87 O 0.14540306903735 0.84297014894336 0.80387127809955 15.999 > 11 88 O 0.64540306903735 0.84297014894336 0.80387127809955 15.999 > 11 89 O 0.10459693096265 0.15702985105664 0.05387127809955 15.999 > 12 90 O 0.60459693096265 0.15702985105664 0.05387127809955 15.999 > 12 91 O 0.10459693096265 0.65702985105664 0.05387127809955 15.999 > 12 92 O 0.60459693096265 0.65702985105664 0.05387127809955 15.999 > 12 93 O 0.10459693096265 0.15702985105664 0.55387127809955 15.999 > 12 94 O 0.60459693096265 0.15702985105664 0.55387127809955 15.999 > 12 95 O 0.10459693096265 0.65702985105664 0.55387127809955 15.999 > 12 96 O 0.60459693096265 0.65702985105664 0.55387127809955 15.999 > 12 97 O 0.00000000000000 0.44633024737143 0.05184471935577 15.999 > 13 98 O 0.50000000000000 0.44633024737143 0.05184471935577 15.999 > 13 99 O 0.00000000000000 0.94633024737143 0.05184471935577 15.999 > 13 100 O 0.50000000000000 0.94633024737143 0.05184471935577 15.999 > 13 101 O 0.00000000000000 0.44633024737143 0.55184471935577 15.999 > 13 102 O 0.50000000000000 0.44633024737143 0.55184471935577 15.999 > 13 103 O 0.00000000000000 0.94633024737143 0.55184471935577 15.999 > 13 104 O 0.50000000000000 0.94633024737143 0.55184471935577 15.999 > 13 105 O 0.35459693096265 0.34297014894336 0.30387127809955 15.999 > 14 106 O 0.85459693096265 0.34297014894336 0.30387127809955 15.999 > 14 107 O 0.35459693096265 0.84297014894336 0.30387127809955 15.999 > 14 108 O 0.85459693096265 0.84297014894336 0.30387127809955 15.999 > 14 109 O 0.35459693096265 0.34297014894336 0.80387127809955 15.999 > 14 110 O 0.85459693096265 0.34297014894336 0.80387127809955 15.999 > 14 111 O 0.35459693096265 0.84297014894336 0.80387127809955 15.999 > 14 112 O 0.85459693096265 0.84297014894336 0.80387127809955 15.999 > 14 *113 P 0.25000000000000 0.41272569805331 0.25061961484675 30.974 > 15 114 P 0.75000000000000 0.41272569805331 0.25061961484675 30.974 > 15 115 P 0.25000000000000 0.91272569805331 0.25061961484675 30.974 > 15 116 P 0.75000000000000 0.91272569805331 0.25061961484675 30.974 > 15 117 P 0.25000000000000 0.41272569805331 0.75061961484675 30.974 > 15 118 P 0.75000000000000 0.41272569805331 0.75061961484675 30.974 > 15 119 P 0.25000000000000 0.91272569805331 0.75061961484675 30.974 > 15 120 P 0.75000000000000 0.91272569805331 0.75061961484675 30.974 > 15 121 P 0.00000000000000 0.08727430194669 0.00061961484675 30.974 > 16 122 P 0.50000000000000 0.08727430194669 0.00061961484675 30.974 > 16 123 P 0.00000000000000 0.58727430194669 0.00061961484675 30.974 > 16 124 P 0.50000000000000 0.58727430194669 0.00061961484675 30.974 > 16 125 P 0.00000000000000 0.08727430194669 0.50061961484675 30.974 > 16 126 P 0.50000000000000 0.08727430194669 0.50061961484675 30.974 > 16 127 P 0.00000000000000 0.58727430194669 0.50061961484675 30.974 > 16 128 P 0.50000000000000 0.58727430194669 0.50061961484675 30.974 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5701786 0.0000000 0.0000000 0.0000000 2.5510669 0.0000000 0.0000000 0.0000000 2.5979968 -------------------------- Born effective charges -------------------------- 1 Li 1.1574898 0.0000000 0.0000000 0.0000000 0.9214496 -0.0074619 0.0000000 0.0930470 1.0757679 2 Li 1.1574898 0.0000000 0.0000000 0.0000000 0.9214496 0.0074619 0.0000000 -0.0930470 1.0757679 3 Li 0.9531223 0.0722032 0.0523568 -0.0418312 1.0923449 0.0058564 -0.0702642 -0.0465007 1.0380204 4 Li 0.9531223 0.0722032 -0.0523568 -0.0418312 1.0923449 -0.0058564 0.0702642 0.0465007 1.0380204 5 Li 0.9531223 -0.0722032 0.0523568 0.0418312 1.0923449 -0.0058564 -0.0702642 0.0465007 1.0380204 6 Li 0.9531223 -0.0722032 -0.0523568 0.0418312 1.0923449 0.0058564 0.0702642 -0.0465007 1.0380204 7 O -1.8585375 0.3878172 0.2722671 0.3208864 -1.4493821 -0.1360486 0.2782386 -0.1301680 -1.3670210 8 O -1.2611309 0.0000000 0.0000000 0.0000000 -2.0052239 -0.2668072 0.0000000 -0.2671836 -1.3619642 9 O -1.2490540 0.0000000 0.0000000 0.0000000 -1.1370767 -0.0008941 0.0000000 -0.0032657 -2.2087491 10 O -1.2490540 0.0000000 0.0000000 0.0000000 -1.1370767 0.0008941 0.0000000 0.0032657 -2.2087491 11 O -1.8585375 -0.3878172 0.2722671 -0.3208864 -1.4493821 0.1360486 0.2782386 0.1301680 -1.3670210 12 O -1.8585375 -0.3878172 -0.2722671 -0.3208864 -1.4493821 -0.1360486 -0.2782386 -0.1301680 -1.3670210 13 O -1.2611309 0.0000000 0.0000000 0.0000000 -2.0052239 0.2668072 0.0000000 0.2671836 -1.3619642 14 O -1.8585375 0.3878172 -0.2722671 0.3208864 -1.4493821 0.1360486 -0.2782386 0.1301680 -1.3670210 15 P 3.1635257 0.0000000 0.0000000 0.0000000 2.9349255 -0.0088708 0.0000000 0.0118070 3.1529466 16 P 3.1635257 0.0000000 0.0000000 0.0000000 2.9349255 0.0088708 0.0000000 -0.0118070 3.1529466 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2432 Number of blocks in projector: 2432 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 320 Use standard eigh solver. Tree of FC basis block matrices: - (2432, 2394), data: False |-- (320, 314), data: True |-- (320, 314), data: True |-- (320, 314), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.806 Solver_block: 200 / 480 - Time: 0.744 Solver_block: 300 / 480 - Time: 0.752 Solver_block: 400 / 480 - Time: 0.756 Solver_block: 480 / 480 - Time: 0.618 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.773 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2432 Number of blocks in projector: 2432 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 320 Use standard eigh solver. Tree of FC basis block matrices: - (2432, 2394), data: False |-- (320, 314), data: True |-- (320, 314), data: True |-- (320, 314), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:18:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:18:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.087406740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.220291369999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.833751470000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.84176705957441 0.50999547685465 6.941 2 Li 0.50000000000000 0.15823294042559 0.00999547685465 6.941 3 Li 0.25292932648202 0.32716056432972 0.50900519495699 6.941 4 Li 0.24707067351798 0.67283943567028 0.00900519495699 6.941 5 Li 0.75292932648202 0.67283943567028 0.00900519495699 6.941 6 Li 0.74707067351798 0.32716056432972 0.50900519495699 6.941 7 O 0.79080613807470 0.31405970211328 0.10774255619909 15.999 8 O 0.50000000000000 0.10733950525714 0.60368943871153 15.999 9 O 0.50000000000000 0.82016225871350 0.18048033242815 15.999 10 O 0.00000000000000 0.17983774128650 0.68048033242815 15.999 11 O 0.29080613807470 0.68594029788672 0.60774255619909 15.999 12 O 0.20919386192530 0.31405970211328 0.10774255619909 15.999 13 O 0.00000000000000 0.89266049474286 0.10368943871153 15.999 14 O 0.70919386192530 0.68594029788672 0.60774255619909 15.999 15 P 0.50000000000000 0.82545139610662 0.50123922969350 30.974 16 P 0.00000000000000 0.17454860389338 0.00123922969350 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.174813479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.440582739999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.667502940000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.42088352978721 0.25499773842732 6.941 > 1 2 Li 0.50000000000000 0.42088352978721 0.25499773842732 6.941 > 1 3 Li 0.00000000000000 0.92088352978721 0.25499773842732 6.941 > 1 4 Li 0.50000000000000 0.92088352978721 0.25499773842732 6.941 > 1 5 Li 0.00000000000000 0.42088352978721 0.75499773842732 6.941 > 1 6 Li 0.50000000000000 0.42088352978721 0.75499773842732 6.941 > 1 7 Li 0.00000000000000 0.92088352978721 0.75499773842732 6.941 > 1 8 Li 0.50000000000000 0.92088352978721 0.75499773842732 6.941 > 1 9 Li 0.25000000000000 0.07911647021279 0.00499773842732 6.941 > 9 10 Li 0.75000000000000 0.07911647021279 0.00499773842732 6.941 > 9 11 Li 0.25000000000000 0.57911647021279 0.00499773842732 6.941 > 9 12 Li 0.75000000000000 0.57911647021279 0.00499773842732 6.941 > 9 13 Li 0.25000000000000 0.07911647021279 0.50499773842732 6.941 > 9 14 Li 0.75000000000000 0.07911647021279 0.50499773842732 6.941 > 9 15 Li 0.25000000000000 0.57911647021279 0.50499773842732 6.941 > 9 16 Li 0.75000000000000 0.57911647021279 0.50499773842732 6.941 > 9 17 Li 0.12646466324101 0.16358028216486 0.25450259747850 6.941 > 17 18 Li 0.62646466324101 0.16358028216486 0.25450259747850 6.941 > 17 19 Li 0.12646466324101 0.66358028216486 0.25450259747850 6.941 > 17 20 Li 0.62646466324101 0.66358028216486 0.25450259747850 6.941 > 17 21 Li 0.12646466324101 0.16358028216486 0.75450259747850 6.941 > 17 22 Li 0.62646466324101 0.16358028216486 0.75450259747850 6.941 > 17 23 Li 0.12646466324101 0.66358028216486 0.75450259747850 6.941 > 17 24 Li 0.62646466324101 0.66358028216486 0.75450259747850 6.941 > 17 25 Li 0.12353533675899 0.33641971783514 0.00450259747850 6.941 > 25 26 Li 0.62353533675899 0.33641971783514 0.00450259747850 6.941 > 25 27 Li 0.12353533675899 0.83641971783514 0.00450259747850 6.941 > 25 28 Li 0.62353533675899 0.83641971783514 0.00450259747850 6.941 > 25 29 Li 0.12353533675899 0.33641971783514 0.50450259747850 6.941 > 25 30 Li 0.62353533675899 0.33641971783514 0.50450259747850 6.941 > 25 31 Li 0.12353533675899 0.83641971783514 0.50450259747850 6.941 > 25 32 Li 0.62353533675899 0.83641971783514 0.50450259747850 6.941 > 25 33 Li 0.37646466324101 0.33641971783514 0.00450259747850 6.941 > 33 34 Li 0.87646466324101 0.33641971783514 0.00450259747850 6.941 > 33 35 Li 0.37646466324101 0.83641971783514 0.00450259747850 6.941 > 33 36 Li 0.87646466324101 0.83641971783514 0.00450259747850 6.941 > 33 37 Li 0.37646466324101 0.33641971783514 0.50450259747850 6.941 > 33 38 Li 0.87646466324101 0.33641971783514 0.50450259747850 6.941 > 33 39 Li 0.37646466324101 0.83641971783514 0.50450259747850 6.941 > 33 40 Li 0.87646466324101 0.83641971783514 0.50450259747850 6.941 > 33 41 Li 0.37353533675899 0.16358028216486 0.25450259747850 6.941 > 41 42 Li 0.87353533675899 0.16358028216486 0.25450259747850 6.941 > 41 43 Li 0.37353533675899 0.66358028216486 0.25450259747850 6.941 > 41 44 Li 0.87353533675899 0.66358028216486 0.25450259747850 6.941 > 41 45 Li 0.37353533675899 0.16358028216486 0.75450259747850 6.941 > 41 46 Li 0.87353533675899 0.16358028216486 0.75450259747850 6.941 > 41 47 Li 0.37353533675899 0.66358028216486 0.75450259747850 6.941 > 41 48 Li 0.87353533675899 0.66358028216486 0.75450259747850 6.941 > 41 49 O 0.39540306903735 0.15702985105664 0.05387127809955 15.999 > 49 50 O 0.89540306903735 0.15702985105664 0.05387127809955 15.999 > 49 51 O 0.39540306903735 0.65702985105664 0.05387127809955 15.999 > 49 52 O 0.89540306903735 0.65702985105664 0.05387127809955 15.999 > 49 53 O 0.39540306903735 0.15702985105664 0.55387127809955 15.999 > 49 54 O 0.89540306903735 0.15702985105664 0.55387127809955 15.999 > 49 55 O 0.39540306903735 0.65702985105664 0.55387127809955 15.999 > 49 56 O 0.89540306903735 0.65702985105664 0.55387127809955 15.999 > 49 57 O 0.25000000000000 0.05366975262857 0.30184471935577 15.999 > 57 58 O 0.75000000000000 0.05366975262857 0.30184471935577 15.999 > 57 59 O 0.25000000000000 0.55366975262857 0.30184471935577 15.999 > 57 60 O 0.75000000000000 0.55366975262857 0.30184471935577 15.999 > 57 61 O 0.25000000000000 0.05366975262857 0.80184471935577 15.999 > 57 62 O 0.75000000000000 0.05366975262857 0.80184471935577 15.999 > 57 63 O 0.25000000000000 0.55366975262857 0.80184471935577 15.999 > 57 64 O 0.75000000000000 0.55366975262857 0.80184471935577 15.999 > 57 65 O 0.25000000000000 0.41008112935675 0.09024016621408 15.999 > 65 66 O 0.75000000000000 0.41008112935675 0.09024016621408 15.999 > 65 67 O 0.25000000000000 0.91008112935675 0.09024016621408 15.999 > 65 68 O 0.75000000000000 0.91008112935675 0.09024016621408 15.999 > 65 69 O 0.25000000000000 0.41008112935675 0.59024016621408 15.999 > 65 70 O 0.75000000000000 0.41008112935675 0.59024016621408 15.999 > 65 71 O 0.25000000000000 0.91008112935675 0.59024016621408 15.999 > 65 72 O 0.75000000000000 0.91008112935675 0.59024016621408 15.999 > 65 73 O 0.00000000000000 0.08991887064325 0.34024016621408 15.999 > 73 74 O 0.50000000000000 0.08991887064325 0.34024016621408 15.999 > 73 75 O 0.00000000000000 0.58991887064325 0.34024016621408 15.999 > 73 76 O 0.50000000000000 0.58991887064325 0.34024016621408 15.999 > 73 77 O 0.00000000000000 0.08991887064325 0.84024016621408 15.999 > 73 78 O 0.50000000000000 0.08991887064325 0.84024016621408 15.999 > 73 79 O 0.00000000000000 0.58991887064325 0.84024016621408 15.999 > 73 80 O 0.50000000000000 0.58991887064325 0.84024016621408 15.999 > 73 81 O 0.14540306903735 0.34297014894336 0.30387127809955 15.999 > 81 82 O 0.64540306903735 0.34297014894336 0.30387127809955 15.999 > 81 83 O 0.14540306903735 0.84297014894336 0.30387127809955 15.999 > 81 84 O 0.64540306903735 0.84297014894336 0.30387127809955 15.999 > 81 85 O 0.14540306903735 0.34297014894336 0.80387127809955 15.999 > 81 86 O 0.64540306903735 0.34297014894336 0.80387127809955 15.999 > 81 87 O 0.14540306903735 0.84297014894336 0.80387127809955 15.999 > 81 88 O 0.64540306903735 0.84297014894336 0.80387127809955 15.999 > 81 89 O 0.10459693096265 0.15702985105664 0.05387127809955 15.999 > 89 90 O 0.60459693096265 0.15702985105664 0.05387127809955 15.999 > 89 91 O 0.10459693096265 0.65702985105664 0.05387127809955 15.999 > 89 92 O 0.60459693096265 0.65702985105664 0.05387127809955 15.999 > 89 93 O 0.10459693096265 0.15702985105664 0.55387127809955 15.999 > 89 94 O 0.60459693096265 0.15702985105664 0.55387127809955 15.999 > 89 95 O 0.10459693096265 0.65702985105664 0.55387127809955 15.999 > 89 96 O 0.60459693096265 0.65702985105664 0.55387127809955 15.999 > 89 97 O 0.00000000000000 0.44633024737143 0.05184471935577 15.999 > 97 98 O 0.50000000000000 0.44633024737143 0.05184471935577 15.999 > 97 99 O 0.00000000000000 0.94633024737143 0.05184471935577 15.999 > 97 100 O 0.50000000000000 0.94633024737143 0.05184471935577 15.999 > 97 101 O 0.00000000000000 0.44633024737143 0.55184471935577 15.999 > 97 102 O 0.50000000000000 0.44633024737143 0.55184471935577 15.999 > 97 103 O 0.00000000000000 0.94633024737143 0.55184471935577 15.999 > 97 104 O 0.50000000000000 0.94633024737143 0.55184471935577 15.999 > 97 105 O 0.35459693096265 0.34297014894336 0.30387127809955 15.999 > 105 106 O 0.85459693096265 0.34297014894336 0.30387127809955 15.999 > 105 107 O 0.35459693096265 0.84297014894336 0.30387127809955 15.999 > 105 108 O 0.85459693096265 0.84297014894336 0.30387127809955 15.999 > 105 109 O 0.35459693096265 0.34297014894336 0.80387127809955 15.999 > 105 110 O 0.85459693096265 0.34297014894336 0.80387127809955 15.999 > 105 111 O 0.35459693096265 0.84297014894336 0.80387127809955 15.999 > 105 112 O 0.85459693096265 0.84297014894336 0.80387127809955 15.999 > 105 113 P 0.25000000000000 0.41272569805331 0.25061961484675 30.974 > 113 114 P 0.75000000000000 0.41272569805331 0.25061961484675 30.974 > 113 115 P 0.25000000000000 0.91272569805331 0.25061961484675 30.974 > 113 116 P 0.75000000000000 0.91272569805331 0.25061961484675 30.974 > 113 117 P 0.25000000000000 0.41272569805331 0.75061961484675 30.974 > 113 118 P 0.75000000000000 0.41272569805331 0.75061961484675 30.974 > 113 119 P 0.25000000000000 0.91272569805331 0.75061961484675 30.974 > 113 120 P 0.75000000000000 0.91272569805331 0.75061961484675 30.974 > 113 121 P 0.00000000000000 0.08727430194669 0.00061961484675 30.974 > 121 122 P 0.50000000000000 0.08727430194669 0.00061961484675 30.974 > 121 123 P 0.00000000000000 0.58727430194669 0.00061961484675 30.974 > 121 124 P 0.50000000000000 0.58727430194669 0.00061961484675 30.974 > 121 125 P 0.00000000000000 0.08727430194669 0.50061961484675 30.974 > 121 126 P 0.50000000000000 0.08727430194669 0.50061961484675 30.974 > 121 127 P 0.00000000000000 0.58727430194669 0.50061961484675 30.974 > 121 128 P 0.50000000000000 0.58727430194669 0.50061961484675 30.974 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5701786 0.0000000 0.0000000 0.0000000 2.5510669 0.0000000 0.0000000 0.0000000 2.5979968 -------------------------- Born effective charges -------------------------- 1 Li 1.1574898 0.0000000 0.0000000 0.0000000 0.9214496 -0.0074619 0.0000000 0.0930470 1.0757679 2 Li 1.1574898 0.0000000 0.0000000 0.0000000 0.9214496 0.0074619 0.0000000 -0.0930470 1.0757679 3 Li 0.9531223 0.0722032 0.0523568 -0.0418312 1.0923449 0.0058564 -0.0702642 -0.0465007 1.0380204 4 Li 0.9531223 0.0722032 -0.0523568 -0.0418312 1.0923449 -0.0058564 0.0702642 0.0465007 1.0380204 5 Li 0.9531223 -0.0722032 0.0523568 0.0418312 1.0923449 -0.0058564 -0.0702642 0.0465007 1.0380204 6 Li 0.9531223 -0.0722032 -0.0523568 0.0418312 1.0923449 0.0058564 0.0702642 -0.0465007 1.0380204 7 O -1.8585375 0.3878172 0.2722671 0.3208864 -1.4493821 -0.1360486 0.2782386 -0.1301680 -1.3670210 8 O -1.2611309 0.0000000 0.0000000 0.0000000 -2.0052239 -0.2668072 0.0000000 -0.2671836 -1.3619642 9 O -1.2490540 0.0000000 0.0000000 0.0000000 -1.1370767 -0.0008941 0.0000000 -0.0032657 -2.2087491 10 O -1.2490540 0.0000000 0.0000000 0.0000000 -1.1370767 0.0008941 0.0000000 0.0032657 -2.2087491 11 O -1.8585375 -0.3878172 0.2722671 -0.3208864 -1.4493821 0.1360486 0.2782386 0.1301680 -1.3670210 12 O -1.8585375 -0.3878172 -0.2722671 -0.3208864 -1.4493821 -0.1360486 -0.2782386 -0.1301680 -1.3670210 13 O -1.2611309 0.0000000 0.0000000 0.0000000 -2.0052239 0.2668072 0.0000000 0.2671836 -1.3619642 14 O -1.8585375 0.3878172 -0.2722671 0.3208864 -1.4493821 0.1360486 -0.2782386 0.1301680 -1.3670210 15 P 3.1635257 0.0000000 0.0000000 0.0000000 2.9349255 -0.0088708 0.0000000 0.0118070 3.1529466 16 P 3.1635257 0.0000000 0.0000000 0.0000000 2.9349255 0.0088708 0.0000000 -0.0118070 3.1529466 ---------------------------------------------------------------------------- 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[ 57, 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[ 65, 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[ 113, 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: 0.00000027 (yzy) 0.00000027 (yzy) 0.00000027 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000006 (yz) 0.00000006 (yz) 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 00:19:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:19:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.087406740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.220291369999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.833751470000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.84176705957441 0.50999547685465 6.941 2 Li 0.50000000000000 0.15823294042559 0.00999547685465 6.941 3 Li 0.25292932648202 0.32716056432972 0.50900519495699 6.941 4 Li 0.24707067351798 0.67283943567028 0.00900519495699 6.941 5 Li 0.75292932648202 0.67283943567028 0.00900519495699 6.941 6 Li 0.74707067351798 0.32716056432972 0.50900519495699 6.941 7 O 0.79080613807470 0.31405970211328 0.10774255619909 15.999 8 O 0.50000000000000 0.10733950525714 0.60368943871153 15.999 9 O 0.50000000000000 0.82016225871350 0.18048033242815 15.999 10 O 0.00000000000000 0.17983774128650 0.68048033242815 15.999 11 O 0.29080613807470 0.68594029788672 0.60774255619909 15.999 12 O 0.20919386192530 0.31405970211328 0.10774255619909 15.999 13 O 0.00000000000000 0.89266049474286 0.10368943871153 15.999 14 O 0.70919386192530 0.68594029788672 0.60774255619909 15.999 15 P 0.50000000000000 0.82545139610662 0.50123922969350 30.974 16 P 0.00000000000000 0.17454860389338 0.00123922969350 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.174813479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.440582739999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.667502940000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.42088352978721 0.25499773842732 6.941 > 1 2 Li 0.50000000000000 0.42088352978721 0.25499773842732 6.941 > 1 3 Li 0.00000000000000 0.92088352978721 0.25499773842732 6.941 > 1 4 Li 0.50000000000000 0.92088352978721 0.25499773842732 6.941 > 1 5 Li 0.00000000000000 0.42088352978721 0.75499773842732 6.941 > 1 6 Li 0.50000000000000 0.42088352978721 0.75499773842732 6.941 > 1 7 Li 0.00000000000000 0.92088352978721 0.75499773842732 6.941 > 1 8 Li 0.50000000000000 0.92088352978721 0.75499773842732 6.941 > 1 9 Li 0.25000000000000 0.07911647021279 0.00499773842732 6.941 > 9 10 Li 0.75000000000000 0.07911647021279 0.00499773842732 6.941 > 9 11 Li 0.25000000000000 0.57911647021279 0.00499773842732 6.941 > 9 12 Li 0.75000000000000 0.57911647021279 0.00499773842732 6.941 > 9 13 Li 0.25000000000000 0.07911647021279 0.50499773842732 6.941 > 9 14 Li 0.75000000000000 0.07911647021279 0.50499773842732 6.941 > 9 15 Li 0.25000000000000 0.57911647021279 0.50499773842732 6.941 > 9 16 Li 0.75000000000000 0.57911647021279 0.50499773842732 6.941 > 9 17 Li 0.12646466324101 0.16358028216486 0.25450259747850 6.941 > 17 18 Li 0.62646466324101 0.16358028216486 0.25450259747850 6.941 > 17 19 Li 0.12646466324101 0.66358028216486 0.25450259747850 6.941 > 17 20 Li 0.62646466324101 0.66358028216486 0.25450259747850 6.941 > 17 21 Li 0.12646466324101 0.16358028216486 0.75450259747850 6.941 > 17 22 Li 0.62646466324101 0.16358028216486 0.75450259747850 6.941 > 17 23 Li 0.12646466324101 0.66358028216486 0.75450259747850 6.941 > 17 24 Li 0.62646466324101 0.66358028216486 0.75450259747850 6.941 > 17 25 Li 0.12353533675899 0.33641971783514 0.00450259747850 6.941 > 25 26 Li 0.62353533675899 0.33641971783514 0.00450259747850 6.941 > 25 27 Li 0.12353533675899 0.83641971783514 0.00450259747850 6.941 > 25 28 Li 0.62353533675899 0.83641971783514 0.00450259747850 6.941 > 25 29 Li 0.12353533675899 0.33641971783514 0.50450259747850 6.941 > 25 30 Li 0.62353533675899 0.33641971783514 0.50450259747850 6.941 > 25 31 Li 0.12353533675899 0.83641971783514 0.50450259747850 6.941 > 25 32 Li 0.62353533675899 0.83641971783514 0.50450259747850 6.941 > 25 33 Li 0.37646466324101 0.33641971783514 0.00450259747850 6.941 > 33 34 Li 0.87646466324101 0.33641971783514 0.00450259747850 6.941 > 33 35 Li 0.37646466324101 0.83641971783514 0.00450259747850 6.941 > 33 36 Li 0.87646466324101 0.83641971783514 0.00450259747850 6.941 > 33 37 Li 0.37646466324101 0.33641971783514 0.50450259747850 6.941 > 33 38 Li 0.87646466324101 0.33641971783514 0.50450259747850 6.941 > 33 39 Li 0.37646466324101 0.83641971783514 0.50450259747850 6.941 > 33 40 Li 0.87646466324101 0.83641971783514 0.50450259747850 6.941 > 33 41 Li 0.37353533675899 0.16358028216486 0.25450259747850 6.941 > 41 42 Li 0.87353533675899 0.16358028216486 0.25450259747850 6.941 > 41 43 Li 0.37353533675899 0.66358028216486 0.25450259747850 6.941 > 41 44 Li 0.87353533675899 0.66358028216486 0.25450259747850 6.941 > 41 45 Li 0.37353533675899 0.16358028216486 0.75450259747850 6.941 > 41 46 Li 0.87353533675899 0.16358028216486 0.75450259747850 6.941 > 41 47 Li 0.37353533675899 0.66358028216486 0.75450259747850 6.941 > 41 48 Li 0.87353533675899 0.66358028216486 0.75450259747850 6.941 > 41 49 O 0.39540306903735 0.15702985105664 0.05387127809955 15.999 > 49 50 O 0.89540306903735 0.15702985105664 0.05387127809955 15.999 > 49 51 O 0.39540306903735 0.65702985105664 0.05387127809955 15.999 > 49 52 O 0.89540306903735 0.65702985105664 0.05387127809955 15.999 > 49 53 O 0.39540306903735 0.15702985105664 0.55387127809955 15.999 > 49 54 O 0.89540306903735 0.15702985105664 0.55387127809955 15.999 > 49 55 O 0.39540306903735 0.65702985105664 0.55387127809955 15.999 > 49 56 O 0.89540306903735 0.65702985105664 0.55387127809955 15.999 > 49 57 O 0.25000000000000 0.05366975262857 0.30184471935577 15.999 > 57 58 O 0.75000000000000 0.05366975262857 0.30184471935577 15.999 > 57 59 O 0.25000000000000 0.55366975262857 0.30184471935577 15.999 > 57 60 O 0.75000000000000 0.55366975262857 0.30184471935577 15.999 > 57 61 O 0.25000000000000 0.05366975262857 0.80184471935577 15.999 > 57 62 O 0.75000000000000 0.05366975262857 0.80184471935577 15.999 > 57 63 O 0.25000000000000 0.55366975262857 0.80184471935577 15.999 > 57 64 O 0.75000000000000 0.55366975262857 0.80184471935577 15.999 > 57 65 O 0.25000000000000 0.41008112935675 0.09024016621408 15.999 > 65 66 O 0.75000000000000 0.41008112935675 0.09024016621408 15.999 > 65 67 O 0.25000000000000 0.91008112935675 0.09024016621408 15.999 > 65 68 O 0.75000000000000 0.91008112935675 0.09024016621408 15.999 > 65 69 O 0.25000000000000 0.41008112935675 0.59024016621408 15.999 > 65 70 O 0.75000000000000 0.41008112935675 0.59024016621408 15.999 > 65 71 O 0.25000000000000 0.91008112935675 0.59024016621408 15.999 > 65 72 O 0.75000000000000 0.91008112935675 0.59024016621408 15.999 > 65 73 O 0.00000000000000 0.08991887064325 0.34024016621408 15.999 > 73 74 O 0.50000000000000 0.08991887064325 0.34024016621408 15.999 > 73 75 O 0.00000000000000 0.58991887064325 0.34024016621408 15.999 > 73 76 O 0.50000000000000 0.58991887064325 0.34024016621408 15.999 > 73 77 O 0.00000000000000 0.08991887064325 0.84024016621408 15.999 > 73 78 O 0.50000000000000 0.08991887064325 0.84024016621408 15.999 > 73 79 O 0.00000000000000 0.58991887064325 0.84024016621408 15.999 > 73 80 O 0.50000000000000 0.58991887064325 0.84024016621408 15.999 > 73 81 O 0.14540306903735 0.34297014894336 0.30387127809955 15.999 > 81 82 O 0.64540306903735 0.34297014894336 0.30387127809955 15.999 > 81 83 O 0.14540306903735 0.84297014894336 0.30387127809955 15.999 > 81 84 O 0.64540306903735 0.84297014894336 0.30387127809955 15.999 > 81 85 O 0.14540306903735 0.34297014894336 0.80387127809955 15.999 > 81 86 O 0.64540306903735 0.34297014894336 0.80387127809955 15.999 > 81 87 O 0.14540306903735 0.84297014894336 0.80387127809955 15.999 > 81 88 O 0.64540306903735 0.84297014894336 0.80387127809955 15.999 > 81 89 O 0.10459693096265 0.15702985105664 0.05387127809955 15.999 > 89 90 O 0.60459693096265 0.15702985105664 0.05387127809955 15.999 > 89 91 O 0.10459693096265 0.65702985105664 0.05387127809955 15.999 > 89 92 O 0.60459693096265 0.65702985105664 0.05387127809955 15.999 > 89 93 O 0.10459693096265 0.15702985105664 0.55387127809955 15.999 > 89 94 O 0.60459693096265 0.15702985105664 0.55387127809955 15.999 > 89 95 O 0.10459693096265 0.65702985105664 0.55387127809955 15.999 > 89 96 O 0.60459693096265 0.65702985105664 0.55387127809955 15.999 > 89 97 O 0.00000000000000 0.44633024737143 0.05184471935577 15.999 > 97 98 O 0.50000000000000 0.44633024737143 0.05184471935577 15.999 > 97 99 O 0.00000000000000 0.94633024737143 0.05184471935577 15.999 > 97 100 O 0.50000000000000 0.94633024737143 0.05184471935577 15.999 > 97 101 O 0.00000000000000 0.44633024737143 0.55184471935577 15.999 > 97 102 O 0.50000000000000 0.44633024737143 0.55184471935577 15.999 > 97 103 O 0.00000000000000 0.94633024737143 0.55184471935577 15.999 > 97 104 O 0.50000000000000 0.94633024737143 0.55184471935577 15.999 > 97 105 O 0.35459693096265 0.34297014894336 0.30387127809955 15.999 > 105 106 O 0.85459693096265 0.34297014894336 0.30387127809955 15.999 > 105 107 O 0.35459693096265 0.84297014894336 0.30387127809955 15.999 > 105 108 O 0.85459693096265 0.84297014894336 0.30387127809955 15.999 > 105 109 O 0.35459693096265 0.34297014894336 0.80387127809955 15.999 > 105 110 O 0.85459693096265 0.34297014894336 0.80387127809955 15.999 > 105 111 O 0.35459693096265 0.84297014894336 0.80387127809955 15.999 > 105 112 O 0.85459693096265 0.84297014894336 0.80387127809955 15.999 > 105 113 P 0.25000000000000 0.41272569805331 0.25061961484675 30.974 > 113 114 P 0.75000000000000 0.41272569805331 0.25061961484675 30.974 > 113 115 P 0.25000000000000 0.91272569805331 0.25061961484675 30.974 > 113 116 P 0.75000000000000 0.91272569805331 0.25061961484675 30.974 > 113 117 P 0.25000000000000 0.41272569805331 0.75061961484675 30.974 > 113 118 P 0.75000000000000 0.41272569805331 0.75061961484675 30.974 > 113 119 P 0.25000000000000 0.91272569805331 0.75061961484675 30.974 > 113 120 P 0.75000000000000 0.91272569805331 0.75061961484675 30.974 > 113 121 P 0.00000000000000 0.08727430194669 0.00061961484675 30.974 > 121 122 P 0.50000000000000 0.08727430194669 0.00061961484675 30.974 > 121 123 P 0.00000000000000 0.58727430194669 0.00061961484675 30.974 > 121 124 P 0.50000000000000 0.58727430194669 0.00061961484675 30.974 > 121 125 P 0.00000000000000 0.08727430194669 0.50061961484675 30.974 > 121 126 P 0.50000000000000 0.08727430194669 0.50061961484675 30.974 > 121 127 P 0.00000000000000 0.58727430194669 0.50061961484675 30.974 > 121 128 P 0.50000000000000 0.58727430194669 0.50061961484675 30.974 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5701786 0.0000000 0.0000000 0.0000000 2.5510669 0.0000000 0.0000000 0.0000000 2.5979968 -------------------------- Born effective charges -------------------------- 1 Li 1.1574898 0.0000000 0.0000000 0.0000000 0.9214496 -0.0074619 0.0000000 0.0930470 1.0757679 2 Li 1.1574898 0.0000000 0.0000000 0.0000000 0.9214496 0.0074619 0.0000000 -0.0930470 1.0757679 3 Li 0.9531223 0.0722032 0.0523568 -0.0418312 1.0923449 0.0058564 -0.0702642 -0.0465007 1.0380204 4 Li 0.9531223 0.0722032 -0.0523568 -0.0418312 1.0923449 -0.0058564 0.0702642 0.0465007 1.0380204 5 Li 0.9531223 -0.0722032 0.0523568 0.0418312 1.0923449 -0.0058564 -0.0702642 0.0465007 1.0380204 6 Li 0.9531223 -0.0722032 -0.0523568 0.0418312 1.0923449 0.0058564 0.0702642 -0.0465007 1.0380204 7 O -1.8585375 0.3878172 0.2722671 0.3208864 -1.4493821 -0.1360486 0.2782386 -0.1301680 -1.3670210 8 O -1.2611309 0.0000000 0.0000000 0.0000000 -2.0052239 -0.2668072 0.0000000 -0.2671836 -1.3619642 9 O -1.2490540 0.0000000 0.0000000 0.0000000 -1.1370767 -0.0008941 0.0000000 -0.0032657 -2.2087491 10 O -1.2490540 0.0000000 0.0000000 0.0000000 -1.1370767 0.0008941 0.0000000 0.0032657 -2.2087491 11 O -1.8585375 -0.3878172 0.2722671 -0.3208864 -1.4493821 0.1360486 0.2782386 0.1301680 -1.3670210 12 O -1.8585375 -0.3878172 -0.2722671 -0.3208864 -1.4493821 -0.1360486 -0.2782386 -0.1301680 -1.3670210 13 O -1.2611309 0.0000000 0.0000000 0.0000000 -2.0052239 0.2668072 0.0000000 0.2671836 -1.3619642 14 O -1.8585375 0.3878172 -0.2722671 0.3208864 -1.4493821 0.1360486 -0.2782386 0.1301680 -1.3670210 15 P 3.1635257 0.0000000 0.0000000 0.0000000 2.9349255 -0.0088708 0.0000000 0.0118070 3.1529466 16 P 3.1635257 0.0000000 0.0000000 0.0000000 2.9349255 0.0088708 0.0000000 -0.0118070 3.1529466 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000027 (yzy) 0.00000027 (yzy) 0.00000027 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.78, Number of G-points: 287, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/180) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 180 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 4.701 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 -0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 -0.000) 0.000 9.221 ( 0.000 0.000 -0.000) 0.000 10.181 ( 0.000 0.000 0.000) 0.000 10.291 ( 0.000 0.000 -0.000) 0.000 11.045 ( 0.000 0.000 -0.000) 0.000 11.304 ( 0.000 0.000 0.000) 0.000 11.658 ( 0.000 0.000 0.000) 0.000 11.728 ( 0.000 0.000 0.000) 0.000 12.095 ( 0.000 0.000 0.000) 0.000 12.166 ( 0.000 0.000 0.000) 0.000 12.322 ( 0.000 0.000 -0.000) 0.000 12.440 ( 0.000 0.000 0.000) 0.000 12.715 ( 0.000 0.000 0.000) 0.000 13.391 ( 0.000 0.000 0.000) 0.000 13.464 ( 0.000 0.000 -0.000) 0.000 13.473 ( 0.000 0.000 -0.000) 0.000 13.490 ( 0.000 0.000 -0.000) 0.000 13.970 ( 0.000 0.000 0.000) 0.000 14.383 ( 0.000 0.000 0.000) 0.000 14.708 ( 0.000 0.000 -0.000) 0.000 14.728 ( 0.000 0.000 0.000) 0.000 15.063 ( 0.000 0.000 -0.000) 0.000 15.691 ( 0.000 0.000 -0.000) 0.000 16.146 ( 0.000 0.000 -0.000) 0.000 17.017 ( 0.000 0.000 0.000) 0.000 17.092 ( 0.000 0.000 0.000) 0.000 17.286 ( 0.000 0.000 -0.000) 0.000 17.973 ( 0.000 0.000 -0.000) 0.000 18.047 ( 0.000 0.000 -0.000) 0.000 18.498 ( 0.000 0.000 0.000) 0.000 27.108 ( 0.000 0.000 -0.000) 0.000 27.355 ( 0.000 0.000 0.000) 0.000 29.456 ( 0.000 0.000 0.000) 0.000 29.727 ( 0.000 0.000 0.000) 0.000 29.790 ( 0.000 0.000 0.000) 0.000 30.413 ( 0.000 0.000 0.000) 0.000 30.588 ( 0.000 0.000 0.000) 0.000 30.836 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/180) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 42.484 0.000 0.000) 42.484 0.897 ( 43.741 0.000 0.000) 43.741 1.480 ( 70.732 0.000 0.000) 70.732 4.868 ( 13.327 0.000 0.000) 13.327 5.360 ( -4.039 0.000 0.000) 4.039 5.485 ( -5.452 0.000 0.000) 5.452 5.996 ( 10.852 0.000 0.000) 10.852 6.428 ( -20.534 0.000 0.000) 20.534 7.261 ( -6.080 0.000 0.000) 6.080 7.429 ( 19.983 0.000 0.000) 19.983 8.040 ( -3.723 0.000 0.000) 3.723 9.166 ( -6.538 0.000 0.000) 6.538 10.077 ( -3.743 0.000 0.000) 3.743 10.514 ( 14.634 0.000 0.000) 14.634 11.014 ( -2.059 0.000 0.000) 2.059 11.321 ( -2.096 0.000 0.000) 2.096 11.532 ( -8.525 0.000 0.000) 8.525 11.588 ( -7.889 0.000 0.000) 7.889 12.235 ( 2.181 0.000 0.000) 2.181 12.298 ( -2.204 0.000 0.000) 2.204 12.461 ( 3.051 0.000 0.000) 3.051 12.606 ( 6.160 0.000 0.000) 6.160 12.800 ( 3.133 0.000 0.000) 3.133 13.469 ( 0.721 0.000 0.000) 0.721 13.474 ( 0.447 0.000 0.000) 0.447 13.558 ( 6.027 0.000 0.000) 6.027 14.029 ( 5.151 0.000 0.000) 5.151 14.315 ( -7.395 0.000 0.000) 7.395 14.617 ( -7.105 0.000 0.000) 7.105 14.643 ( -5.591 0.000 0.000) 5.591 15.125 ( 5.125 0.000 0.000) 5.125 15.190 ( 6.121 0.000 0.000) 6.121 15.901 ( -4.215 0.000 0.000) 4.215 16.055 ( -8.305 0.000 0.000) 8.305 17.039 ( 2.218 0.000 0.000) 2.218 17.116 ( 2.297 0.000 0.000) 2.297 17.913 ( -5.304 0.000 0.000) 5.304 18.004 ( -4.201 0.000 0.000) 4.201 18.556 ( 4.921 0.000 0.000) 4.921 18.901 ( 0.393 0.000 0.000) 0.393 27.122 ( 1.280 0.000 0.000) 1.280 27.346 ( -0.868 0.000 0.000) 0.868 29.726 ( -0.363 0.000 0.000) 0.363 29.806 ( 1.905 0.000 0.000) 1.905 30.252 ( -11.389 0.000 0.000) 11.389 30.550 ( -3.469 0.000 0.000) 3.469 31.041 ( 15.479 0.000 0.000) 15.479 32.562 ( -3.141 0.000 0.000) 3.141 ======================= Grid point 2 (3/180) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 44.456 0.000 0.000) 44.456 1.794 ( 43.468 0.000 0.000) 43.468 2.877 ( 64.492 0.000 0.000) 64.492 4.891 ( -18.928 0.000 0.000) 18.928 5.115 ( -22.066 0.000 0.000) 22.066 5.478 ( 10.767 0.000 0.000) 10.767 6.137 ( -5.056 0.000 0.000) 5.056 6.387 ( 23.281 0.000 0.000) 23.281 7.097 ( -8.149 0.000 0.000) 8.149 7.801 ( 14.932 0.000 0.000) 14.932 7.951 ( -3.850 0.000 0.000) 3.850 8.940 ( -15.755 0.000 0.000) 15.755 10.064 ( 2.480 0.000 0.000) 2.480 10.803 ( 11.865 0.000 0.000) 11.865 10.956 ( -6.991 0.000 0.000) 6.991 11.163 ( -5.633 0.000 0.000) 5.633 11.430 ( 0.494 0.000 0.000) 0.494 11.533 ( -1.504 0.000 0.000) 1.504 12.175 ( -7.183 0.000 0.000) 7.183 12.231 ( -4.423 0.000 0.000) 4.423 12.556 ( 4.842 0.000 0.000) 4.842 12.628 ( 0.104 0.000 0.000) 0.104 12.998 ( 12.211 0.000 0.000) 12.211 13.475 ( -0.145 0.000 0.000) 0.145 13.522 ( 3.739 0.000 0.000) 3.739 13.709 ( 8.233 0.000 0.000) 8.233 14.080 ( -13.928 0.000 0.000) 13.928 14.153 ( 6.125 0.000 0.000) 6.125 14.503 ( -7.622 0.000 0.000) 7.622 14.515 ( -3.132 0.000 0.000) 3.132 15.238 ( 5.205 0.000 0.000) 5.205 15.290 ( 3.032 0.000 0.000) 3.032 15.799 ( -5.063 0.000 0.000) 5.063 15.844 ( -10.909 0.000 0.000) 10.909 17.114 ( 5.252 0.000 0.000) 5.252 17.184 ( 4.269 0.000 0.000) 4.269 17.776 ( -7.677 0.000 0.000) 7.677 17.878 ( -7.933 0.000 0.000) 7.933 18.671 ( 5.757 0.000 0.000) 5.757 18.906 ( -0.006 0.000 0.000) 0.006 27.157 ( 2.090 0.000 0.000) 2.090 27.322 ( -1.447 0.000 0.000) 1.447 29.711 ( -0.822 0.000 0.000) 0.822 29.875 ( 4.723 0.000 0.000) 4.723 30.026 ( -10.054 0.000 0.000) 10.054 30.450 ( -6.132 0.000 0.000) 6.132 31.386 ( 17.378 0.000 0.000) 17.378 32.463 ( -6.537 0.000 0.000) 6.537 ======================= Grid point 3 (4/180) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 44.918 0.000 0.000) 44.918 2.678 ( 42.461 0.000 0.000) 42.461 4.037 ( 36.309 0.000 0.000) 36.309 4.303 ( -34.645 0.000 0.000) 34.645 4.553 ( -19.069 0.000 0.000) 19.069 5.596 ( -6.217 0.000 0.000) 6.217 6.188 ( 7.654 0.000 0.000) 7.654 6.595 ( -7.427 0.000 0.000) 7.427 7.231 ( 25.576 0.000 0.000) 25.576 7.940 ( 3.694 0.000 0.000) 3.694 7.994 ( 2.796 0.000 0.000) 2.796 8.524 ( -23.914 0.000 0.000) 23.914 10.175 ( 8.272 0.000 0.000) 8.272 10.689 ( -15.197 0.000 0.000) 15.197 10.985 ( 7.349 0.000 0.000) 7.349 11.221 ( 6.256 0.000 0.000) 6.256 11.441 ( -5.474 0.000 0.000) 5.474 11.547 ( 7.669 0.000 0.000) 7.669 11.987 ( -9.207 0.000 0.000) 9.207 12.114 ( -6.951 0.000 0.000) 6.951 12.643 ( 3.737 0.000 0.000) 3.737 12.670 ( 3.079 0.000 0.000) 3.079 13.225 ( 9.448 0.000 0.000) 9.448 13.455 ( -2.047 0.000 0.000) 2.047 13.599 ( 3.252 0.000 0.000) 3.252 13.813 ( -10.755 0.000 0.000) 10.755 13.884 ( 8.722 0.000 0.000) 8.722 14.220 ( -2.813 0.000 0.000) 2.813 14.379 ( -1.421 0.000 0.000) 1.421 14.465 ( -2.120 0.000 0.000) 2.120 15.307 ( 0.960 0.000 0.000) 0.960 15.312 ( -0.418 0.000 0.000) 0.418 15.674 ( -4.304 0.000 0.000) 4.304 15.713 ( -3.259 0.000 0.000) 3.259 17.258 ( 8.668 0.000 0.000) 8.668 17.291 ( 6.203 0.000 0.000) 6.203 17.608 ( -8.462 0.000 0.000) 8.462 17.686 ( -10.485 0.000 0.000) 10.485 18.779 ( 4.564 0.000 0.000) 4.564 18.895 ( -1.181 0.000 0.000) 1.181 27.203 ( 2.286 0.000 0.000) 2.286 27.288 ( -1.789 0.000 0.000) 1.789 29.705 ( 0.578 0.000 0.000) 0.578 29.850 ( -6.896 0.000 0.000) 6.896 29.994 ( 6.740 0.000 0.000) 6.740 30.306 ( -7.638 0.000 0.000) 7.638 31.736 ( 16.333 0.000 0.000) 16.333 32.292 ( -10.179 0.000 0.000) 10.179 ======================= Grid point 4 (5/180) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( -26.012 0.000 0.000) 26.012 3.517 ( 26.012 0.000 0.000) 26.012 3.586 ( -28.064 0.000 0.000) 28.064 3.586 ( 28.064 0.000 0.000) 28.064 5.139 ( -36.061 0.000 0.000) 36.061 5.139 ( 36.061 0.000 0.000) 36.061 6.384 ( -10.558 0.000 0.000) 10.558 6.384 ( 10.558 0.000 0.000) 10.558 7.811 ( -24.108 0.000 0.000) 24.108 7.811 ( 24.108 0.000 0.000) 24.108 8.096 ( -12.314 0.000 0.000) 12.314 8.096 ( 12.314 0.000 0.000) 12.314 10.395 ( -12.882 0.000 0.000) 12.882 10.395 ( 12.882 0.000 0.000) 12.882 11.156 ( -9.166 0.000 0.000) 9.166 11.156 ( 9.166 0.000 0.000) 9.166 11.531 ( -9.519 0.000 0.000) 9.519 11.531 ( 9.519 0.000 0.000) 9.519 11.958 ( -6.747 0.000 0.000) 6.747 11.958 ( 6.747 0.000 0.000) 6.747 12.698 ( -0.976 0.000 0.000) 0.976 12.698 ( 0.976 0.000 0.000) 0.976 13.380 ( -5.533 0.000 0.000) 5.533 13.380 ( 5.533 0.000 0.000) 5.533 13.664 ( -4.126 0.000 0.000) 4.126 13.664 ( 4.126 0.000 0.000) 4.126 14.067 ( -9.041 0.000 0.000) 9.041 14.067 ( 9.041 0.000 0.000) 9.041 14.418 ( -2.621 0.000 0.000) 2.621 14.418 ( 2.621 0.000 0.000) 2.621 15.303 ( -0.140 0.000 0.000) 0.140 15.303 ( 0.140 0.000 0.000) 0.140 15.661 ( -1.718 0.000 0.000) 1.718 15.661 ( 1.718 0.000 0.000) 1.718 17.435 ( -6.309 0.000 0.000) 6.309 17.435 ( 6.309 0.000 0.000) 6.309 17.465 ( -9.274 0.000 0.000) 9.274 17.465 ( 9.274 0.000 0.000) 9.274 18.855 ( -2.819 0.000 0.000) 2.819 18.855 ( 2.819 0.000 0.000) 2.819 27.248 ( -2.084 0.000 0.000) 2.084 27.248 ( 2.084 0.000 0.000) 2.084 29.745 ( -3.429 0.000 0.000) 3.429 29.745 ( 3.429 0.000 0.000) 3.429 30.146 ( -7.797 0.000 0.000) 7.797 30.146 ( 7.797 0.000 0.000) 7.797 32.046 ( -13.673 0.000 0.000) 13.673 32.046 ( 13.673 0.000 0.000) 13.673 ======================= Grid point 9 (6/180) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.000 38.823 0.000) 38.823 0.778 ( 0.000 39.882 0.000) 39.882 1.405 ( 0.000 71.649 0.000) 71.649 4.732 ( 0.000 2.855 0.000) 2.855 5.494 ( 0.000 -1.510 0.000) 1.510 5.530 ( 0.000 12.819 0.000) 12.819 5.858 ( 0.000 -6.749 0.000) 6.749 6.700 ( 0.000 -6.623 0.000) 6.623 7.012 ( 0.000 -7.648 0.000) 7.648 7.274 ( 0.000 -4.892 0.000) 4.892 7.927 ( 0.000 -14.470 0.000) 14.470 9.118 ( 0.000 -11.065 0.000) 11.065 10.178 ( 0.000 -2.888 0.000) 2.888 10.379 ( 0.000 7.992 0.000) 7.992 11.050 ( 0.000 0.307 0.000) 0.307 11.241 ( 0.000 -3.019 0.000) 3.019 11.728 ( 0.000 4.491 0.000) 4.491 11.735 ( 0.000 0.724 0.000) 0.724 12.125 ( 0.000 2.890 0.000) 2.890 12.395 ( 0.000 7.232 0.000) 7.232 12.522 ( 0.000 6.888 0.000) 6.888 12.609 ( 0.000 -6.229 0.000) 6.229 12.714 ( 0.000 1.133 0.000) 1.133 13.297 ( 0.000 -13.931 0.000) 13.931 13.347 ( 0.000 -4.469 0.000) 4.469 13.471 ( 0.000 0.661 0.000) 0.661 13.836 ( 0.000 5.996 0.000) 5.996 13.960 ( 0.000 -0.850 0.000) 0.850 14.432 ( 0.000 4.751 0.000) 4.751 14.764 ( 0.000 3.494 0.000) 3.494 15.037 ( 0.000 -2.588 0.000) 2.588 15.698 ( 0.000 0.631 0.000) 0.631 15.974 ( 0.000 -10.339 0.000) 10.339 16.503 ( 0.000 -3.858 0.000) 3.858 17.123 ( 0.000 2.412 0.000) 2.412 17.331 ( 0.000 4.553 0.000) 4.553 17.859 ( 0.000 -7.698 0.000) 7.698 18.066 ( 0.000 -0.063 0.000) 0.063 18.502 ( 0.000 0.359 0.000) 0.359 18.783 ( 0.000 9.935 0.000) 9.935 27.126 ( 0.000 1.786 0.000) 1.786 27.358 ( 0.000 0.329 0.000) 0.329 29.475 ( 0.000 1.916 0.000) 1.916 29.743 ( 0.000 1.590 0.000) 1.590 29.820 ( 0.000 3.093 0.000) 3.093 30.483 ( 0.000 -1.990 0.000) 1.990 30.812 ( 0.000 -2.434 0.000) 2.434 33.197 ( 0.000 -1.183 0.000) 1.183 ======================= Grid point 10 (7/180) ======================= q-point: ( 0.12 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 30.802 24.664 0.000) 39.460 1.174 ( 31.806 25.415 0.000) 40.713 2.026 ( 51.018 48.079 0.000) 70.103 4.894 ( 12.103 2.310 0.000) 12.322 5.449 ( -6.977 2.332 0.000) 7.357 5.462 ( -6.204 4.586 0.000) 7.715 5.885 ( 3.879 -11.084 0.000) 11.743 6.457 ( -8.708 3.628 0.000) 9.434 7.143 ( -2.599 -10.860 0.000) 11.167 7.409 ( 17.271 -2.756 0.000) 17.490 7.908 ( -2.156 -12.680 0.000) 12.862 9.068 ( -5.812 -10.454 0.000) 11.961 10.061 ( -5.159 -1.632 0.000) 5.411 10.580 ( 12.230 4.497 0.000) 13.030 11.016 ( 0.025 -0.013 0.000) 0.028 11.219 ( -4.484 -3.154 0.000) 5.483 11.578 ( -10.586 2.405 0.000) 10.855 11.716 ( -3.665 7.503 0.000) 8.350 12.167 ( 6.148 -4.063 0.000) 7.369 12.370 ( -2.472 6.906 0.000) 7.335 12.528 ( 0.353 7.943 0.000) 7.950 12.610 ( 0.541 -1.379 0.000) 1.481 12.775 ( 4.182 -1.658 0.000) 4.498 13.326 ( 3.248 -10.188 0.000) 10.693 13.483 ( 1.362 1.073 0.000) 1.734 13.588 ( 10.914 -7.659 0.000) 13.333 13.836 ( 3.317 -10.810 0.000) 11.307 14.159 ( 8.983 -6.075 0.000) 10.844 14.389 ( -3.397 3.666 0.000) 4.998 14.732 ( -1.725 1.628 0.000) 2.372 14.972 ( -5.635 -3.238 0.000) 6.499 15.578 ( -7.485 3.956 0.000) 8.466 15.922 ( -4.446 -3.865 0.000) 5.891 16.343 ( -11.290 19.028 0.000) 22.125 17.085 ( -5.915 6.143 0.000) 8.528 17.146 ( 2.129 2.362 0.000) 3.180 17.813 ( -4.440 -6.405 0.000) 7.793 18.074 ( -2.556 1.921 0.000) 3.197 18.486 ( 3.078 -2.707 0.000) 4.099 18.926 ( 4.532 3.487 0.000) 5.719 27.139 ( 1.253 1.757 0.000) 2.158 27.349 ( -0.788 0.353 0.000) 0.863 29.707 ( 1.089 -3.912 0.000) 4.060 29.798 ( 3.592 -1.406 0.000) 3.857 29.948 ( 9.161 -13.171 0.000) 16.044 30.442 ( -1.273 -2.430 0.000) 2.743 30.978 ( 14.830 -3.375 0.000) 15.210 32.880 ( -18.187 14.117 0.000) 23.023 ======================= Grid point 11 (8/180) ======================= q-point: ( 0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 38.433 10.471 0.000) 39.833 1.931 ( 39.668 13.812 0.000) 42.004 3.183 ( 57.466 29.128 0.000) 64.426 4.882 ( -18.835 -1.410 0.000) 18.887 5.113 ( -26.432 -1.479 0.000) 26.473 5.453 ( 9.267 0.188 0.000) 9.268 6.003 ( 9.048 -9.012 0.000) 12.770 6.575 ( 14.492 13.398 0.000) 19.736 7.025 ( -4.517 -6.312 0.000) 7.762 7.754 ( 11.487 -7.702 0.000) 13.830 7.860 ( 0.618 -6.175 0.000) 6.206 8.864 ( -14.201 -8.001 0.000) 16.299 10.016 ( 0.933 -4.276 0.000) 4.377 10.735 ( -0.214 -5.856 0.000) 5.860 11.068 ( -5.383 5.828 0.000) 7.934 11.092 ( 5.507 -2.228 0.000) 5.940 11.432 ( -2.273 4.099 0.000) 4.687 11.681 ( 0.321 8.753 0.000) 8.759 12.193 ( -7.519 1.430 0.000) 7.654 12.299 ( -3.625 5.434 0.000) 6.532 12.509 ( 0.017 -3.343 0.000) 3.343 12.603 ( 2.124 0.072 0.000) 2.126 12.978 ( 11.971 -2.105 0.000) 12.154 13.407 ( 3.442 -6.891 0.000) 7.702 13.530 ( 3.650 1.054 0.000) 3.799 13.729 ( 4.566 0.968 0.000) 4.668 13.913 ( -0.017 -14.586 0.000) 14.586 14.175 ( -1.305 1.123 0.000) 1.722 14.326 ( -4.611 -5.212 0.000) 6.959 14.692 ( -4.051 5.445 0.000) 6.787 14.912 ( 2.223 -12.803 0.000) 12.994 15.431 ( -7.943 -2.675 0.000) 8.381 15.839 ( -2.534 3.351 0.000) 4.201 16.134 ( -8.941 24.324 0.000) 25.915 17.097 ( 4.737 -0.899 0.000) 4.822 17.211 ( 4.334 1.914 0.000) 4.738 17.695 ( -6.720 -4.979 0.000) 8.363 17.962 ( -7.845 5.019 0.000) 9.313 18.595 ( 6.524 -5.198 0.000) 8.341 18.960 ( -0.336 4.032 0.000) 4.046 27.174 ( 2.037 1.681 0.000) 2.641 27.328 ( -1.273 0.607 0.000) 1.410 29.696 ( -1.013 -1.685 0.000) 1.966 29.867 ( 2.682 -0.922 0.000) 2.836 29.945 ( -3.816 -6.843 0.000) 7.835 30.408 ( -3.494 -2.489 0.000) 4.290 31.342 ( 18.858 -3.349 0.000) 19.153 32.582 ( -12.165 9.134 0.000) 15.212 ======================= Grid point 12 (9/180) ======================= q-point: ( 0.38 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 41.426 1.162 0.000) 41.443 2.761 ( 40.652 8.349 0.000) 41.501 4.133 ( 5.859 4.800 0.000) 7.574 4.340 ( -30.184 4.040 0.000) 30.453 4.591 ( 4.273 7.548 0.000) 8.673 5.595 ( -0.222 2.071 0.000) 2.083 6.197 ( 7.303 -0.775 0.000) 7.344 6.566 ( -12.738 -2.804 0.000) 13.043 7.299 ( 27.531 6.335 0.000) 28.251 7.823 ( 3.807 -11.087 0.000) 11.723 7.995 ( 4.163 -1.065 0.000) 4.297 8.484 ( -22.583 -3.556 0.000) 22.861 10.100 ( 7.105 -6.921 0.000) 9.918 10.564 ( -12.952 -9.996 0.000) 16.361 11.053 ( 4.016 3.887 0.000) 5.589 11.268 ( 10.541 2.940 0.000) 10.944 11.383 ( -5.380 -0.490 0.000) 5.402 11.749 ( 4.520 15.415 0.000) 16.064 11.951 ( -10.965 -3.115 0.000) 11.399 12.194 ( -6.799 8.689 0.000) 11.033 12.579 ( 5.169 -6.694 0.000) 8.457 12.657 ( 2.294 -0.511 0.000) 2.350 13.202 ( 9.260 -2.488 0.000) 9.589 13.426 ( -1.619 -3.148 0.000) 3.540 13.624 ( 4.213 1.539 0.000) 4.486 13.792 ( -6.291 -2.652 0.000) 6.827 13.825 ( 4.143 -4.565 0.000) 6.164 14.155 ( -8.453 -5.554 0.000) 10.115 14.281 ( 6.515 -5.604 0.000) 8.594 14.579 ( -6.318 5.702 0.000) 8.511 15.008 ( 5.402 -15.235 0.000) 16.164 15.257 ( -8.123 -9.345 0.000) 12.382 15.827 ( 1.045 9.339 0.000) 9.397 15.977 ( -6.288 21.572 0.000) 22.470 17.232 ( 7.560 -0.923 0.000) 7.616 17.333 ( 7.824 2.212 0.000) 8.130 17.546 ( -7.598 -3.225 0.000) 8.254 17.767 ( -10.812 5.339 0.000) 12.058 18.730 ( 6.300 -3.665 0.000) 7.288 18.926 ( -2.854 2.178 0.000) 3.591 27.219 ( 2.194 1.543 0.000) 2.682 27.298 ( -1.608 0.980 0.000) 1.883 29.685 ( 0.171 -2.047 0.000) 2.054 29.798 ( -5.322 -4.421 0.000) 6.919 30.006 ( 6.362 0.316 0.000) 6.369 30.299 ( -6.679 -0.673 0.000) 6.712 31.719 ( 17.507 -1.358 0.000) 17.559 32.335 ( -12.544 3.906 0.000) 13.138 ======================= Grid point 13 (10/180) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( -37.364 -3.376 0.000) 37.516 3.513 ( 37.364 -3.376 0.000) 37.516 3.588 ( -38.682 3.894 0.000) 38.877 3.588 ( 38.682 3.894 0.000) 38.877 5.277 ( -30.355 13.854 0.000) 33.367 5.277 ( 30.355 13.854 0.000) 33.367 6.333 ( -8.165 -4.894 0.000) 9.519 6.333 ( 8.165 -4.894 0.000) 9.519 7.850 ( -15.855 -0.687 0.000) 15.870 7.850 ( 15.855 -0.687 0.000) 15.870 8.030 ( -9.418 -2.545 0.000) 9.756 8.030 ( 9.418 -2.545 0.000) 9.756 10.299 ( -10.834 -8.709 0.000) 13.901 10.299 ( 10.834 -8.709 0.000) 13.901 11.196 ( -8.581 3.189 0.000) 9.155 11.196 ( 8.581 3.189 0.000) 9.155 11.561 ( -15.149 0.815 0.000) 15.171 11.561 ( 15.149 0.815 0.000) 15.171 12.023 ( -6.496 8.923 0.000) 11.037 12.023 ( 6.496 8.923 0.000) 11.037 12.664 ( -0.352 -3.696 0.000) 3.713 12.664 ( 0.352 -3.696 0.000) 3.713 13.351 ( -1.274 -2.845 0.000) 3.117 13.351 ( 1.274 -2.845 0.000) 3.117 13.688 ( -3.096 1.917 0.000) 3.641 13.688 ( 3.096 1.917 0.000) 3.641 13.967 ( -3.066 -8.499 0.000) 9.035 13.967 ( 3.066 -8.499 0.000) 9.035 14.436 ( -4.024 0.395 0.000) 4.043 14.436 ( 4.024 0.395 0.000) 4.043 15.118 ( -4.268 -12.673 0.000) 13.373 15.118 ( 4.268 -12.673 0.000) 13.373 15.876 ( -0.477 15.589 0.000) 15.597 15.876 ( 0.477 15.589 0.000) 15.597 17.387 ( -7.216 -2.070 0.000) 7.507 17.387 ( 7.216 -2.070 0.000) 7.507 17.536 ( -11.089 4.421 0.000) 11.938 17.536 ( 11.089 4.421 0.000) 11.938 18.846 ( -2.334 -0.788 0.000) 2.463 18.846 ( 2.334 -0.788 0.000) 2.463 27.262 ( -1.736 1.313 0.000) 2.177 27.262 ( 1.736 1.313 0.000) 2.177 29.713 ( -1.717 -2.940 0.000) 3.405 29.713 ( 1.717 -2.940 0.000) 3.405 30.150 ( -5.524 0.159 0.000) 5.526 30.150 ( 5.524 0.159 0.000) 5.526 32.054 ( -14.600 0.831 0.000) 14.624 32.054 ( 14.600 0.831 0.000) 14.624 ======================= Grid point 18 (11/180) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 38.044 0.000) 38.044 1.512 ( 0.000 36.242 0.000) 36.242 2.720 ( 0.000 64.635 0.000) 64.635 4.780 ( 0.000 0.970 0.000) 0.970 5.454 ( 0.000 -2.205 0.000) 2.205 5.551 ( 0.000 -15.352 0.000) 15.352 5.894 ( 0.000 10.654 0.000) 10.654 6.568 ( 0.000 -4.647 0.000) 4.647 6.847 ( 0.000 -7.774 0.000) 7.774 7.190 ( 0.000 -1.842 0.000) 1.842 7.589 ( 0.000 -19.662 0.000) 19.662 8.804 ( 0.000 -20.928 0.000) 20.928 10.120 ( 0.000 -2.537 0.000) 2.537 10.536 ( 0.000 7.242 0.000) 7.242 11.043 ( 0.000 -1.568 0.000) 1.568 11.268 ( 0.000 6.100 0.000) 6.100 11.753 ( 0.000 1.141 0.000) 1.141 11.788 ( 0.000 2.036 0.000) 2.036 12.186 ( 0.000 2.854 0.000) 2.854 12.428 ( 0.000 -12.067 0.000) 12.067 12.566 ( 0.000 -2.470 0.000) 2.470 12.568 ( 0.000 9.268 0.000) 9.268 12.850 ( 0.000 11.026 0.000) 11.026 13.055 ( 0.000 -9.544 0.000) 9.544 13.244 ( 0.000 -4.513 0.000) 4.513 13.492 ( 0.000 1.266 0.000) 1.266 13.881 ( 0.000 -1.566 0.000) 1.566 13.947 ( 0.000 -0.341 0.000) 0.341 14.545 ( 0.000 6.564 0.000) 6.564 14.828 ( 0.000 1.606 0.000) 1.606 14.971 ( 0.000 -4.156 0.000) 4.156 15.709 ( 0.000 0.358 0.000) 0.358 15.728 ( 0.000 -12.726 0.000) 12.726 16.440 ( 0.000 -2.657 0.000) 2.657 17.156 ( 0.000 0.684 0.000) 0.684 17.445 ( 0.000 6.768 0.000) 6.768 17.729 ( 0.000 -5.313 0.000) 5.313 18.044 ( 0.000 -1.868 0.000) 1.868 18.511 ( 0.000 0.579 0.000) 0.579 18.993 ( 0.000 10.944 0.000) 10.944 27.169 ( 0.000 2.444 0.000) 2.444 27.370 ( 0.000 0.923 0.000) 0.923 29.527 ( 0.000 3.406 0.000) 3.406 29.783 ( 0.000 2.527 0.000) 2.527 29.902 ( 0.000 5.151 0.000) 5.151 30.430 ( 0.000 -3.338 0.000) 3.338 30.747 ( 0.000 -4.236 0.000) 4.236 33.166 ( 0.000 -1.962 0.000) 1.962 ======================= Grid point 19 (12/180) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 18.579 31.497 0.000) 36.569 1.744 ( 20.180 31.871 0.000) 37.722 3.050 ( 30.807 54.701 0.000) 62.779 4.934 ( 10.075 1.307 0.000) 10.160 5.337 ( -8.749 -9.214 0.000) 12.706 5.603 ( -2.110 -17.317 0.000) 17.445 5.702 ( -9.590 13.169 0.000) 16.291 6.584 ( 6.440 7.772 0.000) 10.094 6.921 ( 1.029 -8.772 0.000) 8.832 7.305 ( 10.965 -8.488 0.000) 13.866 7.628 ( 3.889 -13.980 0.000) 14.510 8.771 ( -3.726 -19.837 0.000) 20.184 10.024 ( -6.266 -1.699 0.000) 6.492 10.635 ( 4.833 1.132 0.000) 4.964 10.990 ( -2.714 -2.926 0.000) 3.991 11.272 ( -0.341 7.806 0.000) 7.813 11.644 ( -6.779 4.361 0.000) 8.060 11.798 ( -1.894 1.702 0.000) 2.546 12.121 ( 1.203 -1.622 0.000) 2.019 12.495 ( -3.438 -1.050 0.000) 3.594 12.561 ( 1.009 3.519 0.000) 3.661 12.648 ( 8.437 -1.109 0.000) 8.509 12.835 ( -3.169 10.366 0.000) 10.840 13.125 ( 5.857 -8.247 0.000) 10.115 13.347 ( 10.754 -11.173 0.000) 15.507 13.512 ( 1.780 1.528 0.000) 2.346 13.788 ( -3.168 -1.067 0.000) 3.343 14.092 ( 6.569 -3.070 0.000) 7.251 14.491 ( -5.305 6.108 0.000) 8.091 14.751 ( -6.284 -0.131 0.000) 6.286 14.894 ( -5.571 -5.335 0.000) 7.713 15.534 ( -9.378 -6.263 0.000) 11.277 15.854 ( 3.864 -1.667 0.000) 4.208 16.512 ( 5.565 2.231 0.000) 5.995 17.149 ( -2.443 -0.135 0.000) 2.446 17.282 ( -9.181 10.359 0.000) 13.842 17.706 ( -2.702 -4.355 0.000) 5.125 18.055 ( 0.525 -2.539 0.000) 2.593 18.498 ( -0.232 2.348 0.000) 2.359 19.031 ( 2.032 6.855 0.000) 7.150 27.181 ( 1.170 2.355 0.000) 2.630 27.361 ( -0.681 1.000 0.000) 1.210 29.607 ( 4.429 -2.813 0.000) 5.247 29.802 ( 2.107 1.809 0.000) 2.777 29.889 ( -1.989 0.626 0.000) 2.085 30.409 ( -1.156 -1.846 0.000) 2.178 30.914 ( 14.884 -3.201 0.000) 15.225 33.017 ( -12.581 2.507 0.000) 12.829 ======================= Grid point 20 (13/180) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 26.395 20.419 0.000) 33.371 2.290 ( 31.567 22.643 0.000) 38.848 3.851 ( 42.180 36.761 0.000) 55.951 4.820 ( -18.659 -4.110 0.000) 19.107 5.039 ( -25.398 -5.676 0.000) 26.025 5.550 ( 8.789 7.706 0.000) 11.689 5.843 ( 14.584 -6.692 0.000) 16.046 6.714 ( -2.417 -3.662 0.000) 4.388 7.000 ( 13.459 7.458 0.000) 15.387 7.480 ( 4.941 -16.646 0.000) 17.364 7.782 ( 10.192 -3.482 0.000) 10.770 8.642 ( -8.600 -14.462 0.000) 16.826 9.933 ( -1.947 -3.644 0.000) 4.132 10.604 ( -7.927 -7.014 0.000) 10.584 10.974 ( 1.250 -6.366 0.000) 6.488 11.251 ( -1.510 8.105 0.000) 8.245 11.557 ( -2.268 7.706 0.000) 8.033 11.818 ( 6.641 5.389 0.000) 8.553 12.193 ( 1.185 -2.498 0.000) 2.764 12.311 ( -10.356 -0.487 0.000) 10.367 12.552 ( -1.853 3.992 0.000) 4.401 12.714 ( -1.739 12.183 0.000) 12.307 12.923 ( 10.899 -3.017 0.000) 11.309 13.245 ( 5.989 -8.397 0.000) 10.314 13.552 ( 2.625 0.613 0.000) 2.695 13.604 ( 10.566 -12.892 0.000) 16.669 13.761 ( -0.053 -1.099 0.000) 1.100 14.119 ( -3.980 -6.015 0.000) 7.213 14.337 ( -8.804 4.841 0.000) 10.047 14.675 ( 0.524 -6.088 0.000) 6.110 14.788 ( -4.718 -2.585 0.000) 5.380 15.307 ( -12.574 -8.380 0.000) 15.110 15.915 ( 3.154 4.299 0.000) 5.332 16.543 ( -5.201 16.548 0.000) 17.346 17.081 ( 2.656 -1.573 0.000) 3.087 17.253 ( 2.742 3.262 0.000) 4.261 17.626 ( -4.739 -1.986 0.000) 5.138 18.017 ( -5.017 0.429 0.000) 5.035 18.541 ( 4.709 -0.002 0.000) 4.709 19.036 ( -1.760 3.774 0.000) 4.165 27.214 ( 1.936 2.227 0.000) 2.951 27.345 ( -0.907 1.254 0.000) 1.547 29.645 ( -0.127 -3.192 0.000) 3.195 29.812 ( -4.983 -3.859 0.000) 6.302 29.876 ( 4.876 -0.356 0.000) 4.889 30.372 ( -3.090 -1.995 0.000) 3.678 31.291 ( 20.262 -1.563 0.000) 20.322 32.726 ( -14.849 5.262 0.000) 15.754 ======================= Grid point 21 (14/180) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 32.278 8.355 0.000) 33.342 2.987 ( 35.386 14.776 0.000) 38.347 4.104 ( -26.045 -5.003 0.000) 26.522 4.412 ( -31.573 3.255 0.000) 31.741 4.953 ( 36.926 26.808 0.000) 45.631 5.712 ( 5.654 9.000 0.000) 10.629 6.118 ( 7.918 -7.262 0.000) 10.744 6.516 ( -15.141 -1.448 0.000) 15.210 7.313 ( 14.455 -12.802 0.000) 19.309 7.644 ( 10.621 -2.977 0.000) 11.030 7.933 ( 4.582 -2.883 0.000) 5.413 8.430 ( -11.892 -1.224 0.000) 11.955 9.958 ( 4.606 -6.735 0.000) 8.159 10.372 ( -12.977 -9.257 0.000) 15.940 11.047 ( 5.630 -5.881 0.000) 8.141 11.247 ( 0.932 -2.714 0.000) 2.870 11.502 ( -1.908 10.430 0.000) 10.603 11.911 ( -12.889 0.255 0.000) 12.892 12.079 ( 8.910 17.026 0.000) 19.217 12.316 ( 2.594 -3.875 0.000) 4.663 12.509 ( -0.931 4.622 0.000) 4.715 12.674 ( -2.770 5.181 0.000) 5.875 13.134 ( 8.910 -4.235 0.000) 9.866 13.334 ( 1.119 -6.003 0.000) 6.107 13.614 ( 4.181 -2.350 0.000) 4.796 13.718 ( 0.771 -5.772 0.000) 5.823 13.764 ( -0.040 -0.778 0.000) 0.779 13.989 ( -8.698 -11.287 0.000) 14.250 14.241 ( 2.935 1.835 0.000) 3.461 14.626 ( -8.524 -0.965 0.000) 8.578 14.780 ( 5.040 -9.414 0.000) 10.678 15.063 ( -10.005 -10.185 0.000) 14.277 16.005 ( 5.820 8.726 0.000) 10.489 16.357 ( -10.525 16.892 0.000) 19.902 17.235 ( 8.658 0.968 0.000) 8.712 17.348 ( 6.760 -0.273 0.000) 6.766 17.525 ( -4.333 0.996 0.000) 4.446 17.852 ( -10.525 3.112 0.000) 10.976 18.674 ( 7.596 -1.673 0.000) 7.778 18.962 ( -5.207 1.565 0.000) 5.437 27.256 ( 2.034 2.141 0.000) 2.953 27.324 ( -1.202 1.663 0.000) 2.052 29.635 ( -0.261 -2.843 0.000) 2.855 29.712 ( -4.238 -4.119 0.000) 5.910 29.995 ( 6.550 -1.268 0.000) 6.672 30.276 ( -6.033 -2.019 0.000) 6.362 31.703 ( 19.416 0.114 0.000) 19.416 32.415 ( -15.522 4.008 0.000) 16.031 ======================= Grid point 22 (15/180) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( -31.031 -1.616 0.000) 31.073 3.444 ( 31.031 -1.616 0.000) 31.073 3.720 ( -34.232 8.945 0.000) 35.381 3.720 ( 34.232 8.945 0.000) 35.381 5.631 ( -18.096 21.507 0.000) 28.107 5.631 ( 18.096 21.507 0.000) 28.107 6.215 ( -7.569 -7.141 0.000) 10.406 6.215 ( 7.569 -7.141 0.000) 10.406 7.614 ( -12.547 -19.692 0.000) 23.349 7.614 ( 12.547 -19.692 0.000) 23.349 8.151 ( -13.937 10.900 0.000) 17.693 8.151 ( 13.937 10.900 0.000) 17.693 10.120 ( -9.755 -8.836 0.000) 13.162 10.120 ( 9.755 -8.836 0.000) 13.162 11.185 ( -2.248 -6.237 0.000) 6.629 11.185 ( 2.248 -6.237 0.000) 6.629 11.611 ( -6.293 7.219 0.000) 9.577 11.611 ( 6.293 7.219 0.000) 9.577 12.274 ( -1.495 12.239 0.000) 12.330 12.274 ( 1.495 12.239 0.000) 12.330 12.577 ( -1.372 -2.205 0.000) 2.597 12.577 ( 1.372 -2.205 0.000) 2.597 13.280 ( -0.795 -4.135 0.000) 4.211 13.280 ( 0.795 -4.135 0.000) 4.211 13.700 ( -1.305 -2.029 0.000) 2.412 13.700 ( 1.305 -2.029 0.000) 2.412 13.811 ( -1.035 -6.231 0.000) 6.317 13.811 ( 1.035 -6.231 0.000) 6.317 14.409 ( -7.817 -2.722 0.000) 8.278 14.409 ( 7.817 -2.722 0.000) 8.278 14.901 ( -5.206 -10.011 0.000) 11.283 14.901 ( 5.206 -10.011 0.000) 11.283 16.155 ( -2.126 12.809 0.000) 12.984 16.155 ( 2.126 12.809 0.000) 12.984 17.372 ( -3.528 0.543 0.000) 3.569 17.372 ( 3.528 0.543 0.000) 3.569 17.612 ( -9.225 3.242 0.000) 9.779 17.612 ( 9.225 3.242 0.000) 9.779 18.831 ( -3.117 -0.586 0.000) 3.172 18.831 ( 3.117 -0.586 0.000) 3.172 27.294 ( -1.208 1.986 0.000) 2.325 27.294 ( 1.208 1.986 0.000) 2.325 29.649 ( -0.856 -3.395 0.000) 3.502 29.649 ( 0.856 -3.395 0.000) 3.502 30.138 ( -4.901 -1.687 0.000) 5.183 30.138 ( 4.901 -1.687 0.000) 5.183 32.080 ( -16.720 1.977 0.000) 16.836 32.080 ( 16.720 1.977 0.000) 16.836 ======================= Grid point 27 (16/180) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 0.000 29.030 0.000) 29.030 2.189 ( 0.000 36.278 0.000) 36.278 3.840 ( 0.000 51.117 0.000) 51.117 4.724 ( 0.000 -7.157 0.000) 7.157 5.155 ( 0.000 -24.296 0.000) 24.296 5.439 ( 0.000 1.469 0.000) 1.469 5.912 ( 0.000 -8.227 0.000) 8.227 6.576 ( 0.000 2.782 0.000) 2.782 6.777 ( 0.000 1.048 0.000) 1.048 7.202 ( 0.000 -19.884 0.000) 19.884 7.292 ( 0.000 13.131 0.000) 13.131 8.360 ( 0.000 -24.242 0.000) 24.242 10.101 ( 0.000 1.020 0.000) 1.020 10.647 ( 0.000 4.569 0.000) 4.569 10.969 ( 0.000 -6.609 0.000) 6.609 11.439 ( 0.000 10.392 0.000) 10.392 11.779 ( 0.000 1.559 0.000) 1.559 11.821 ( 0.000 1.543 0.000) 1.543 12.183 ( 0.000 -12.070 0.000) 12.070 12.221 ( 0.000 0.624 0.000) 0.624 12.492 ( 0.000 -4.462 0.000) 4.462 12.674 ( 0.000 1.036 0.000) 1.036 12.923 ( 0.000 -4.552 0.000) 4.552 13.002 ( 0.000 4.282 0.000) 4.282 13.315 ( 0.000 12.234 0.000) 12.234 13.485 ( 0.000 -3.981 0.000) 3.981 13.790 ( 0.000 -6.376 0.000) 6.376 13.945 ( 0.000 -0.183 0.000) 0.183 14.666 ( 0.000 5.690 0.000) 5.690 14.778 ( 0.000 -6.318 0.000) 6.318 14.884 ( 0.000 -4.761 0.000) 4.761 15.585 ( 0.000 -1.539 0.000) 1.539 15.711 ( 0.000 -0.091 0.000) 0.091 16.393 ( 0.000 -2.468 0.000) 2.468 17.153 ( 0.000 -0.752 0.000) 0.752 17.572 ( 0.000 6.114 0.000) 6.114 17.658 ( 0.000 -2.281 0.000) 2.281 18.005 ( 0.000 -2.005 0.000) 2.005 18.523 ( 0.000 0.579 0.000) 0.579 19.178 ( 0.000 8.077 0.000) 8.077 27.211 ( 0.000 1.781 0.000) 1.781 27.394 ( 0.000 1.526 0.000) 1.526 29.599 ( 0.000 3.939 0.000) 3.939 29.839 ( 0.000 3.284 0.000) 3.284 29.998 ( 0.000 4.274 0.000) 4.274 30.364 ( 0.000 -3.231 0.000) 3.231 30.658 ( 0.000 -4.758 0.000) 4.758 33.127 ( 0.000 -2.028 0.000) 2.028 ======================= Grid point 28 (17/180) ======================= q-point: ( 0.12 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 11.853 28.692 0.000) 31.045 2.354 ( 14.908 31.728 0.000) 35.056 4.011 ( 16.960 42.842 0.000) 46.077 4.921 ( 13.198 -3.472 0.000) 13.647 5.092 ( -7.724 -16.612 0.000) 18.320 5.290 ( -6.800 -11.890 0.000) 13.698 5.921 ( -1.416 9.251 0.000) 9.359 6.526 ( 0.809 -10.155 0.000) 10.188 7.010 ( 10.779 11.746 0.000) 15.942 7.055 ( -1.088 -16.888 0.000) 16.923 7.506 ( 12.897 3.625 0.000) 13.397 8.352 ( -0.624 -22.589 0.000) 22.598 10.017 ( -6.468 1.456 0.000) 6.630 10.640 ( -2.855 -0.178 0.000) 2.861 10.900 ( -4.990 -6.720 0.000) 8.370 11.454 ( 0.117 9.708 0.000) 9.709 11.736 ( -2.606 4.646 0.000) 5.327 11.793 ( -2.989 -1.885 0.000) 3.534 12.089 ( 1.936 -1.187 0.000) 2.271 12.382 ( 2.749 -6.854 0.000) 7.385 12.567 ( 5.732 -4.850 0.000) 7.508 12.663 ( 1.593 2.661 0.000) 3.101 12.974 ( 2.403 2.509 0.000) 3.474 13.080 ( 8.789 -1.205 0.000) 8.872 13.281 ( -2.450 8.901 0.000) 9.232 13.511 ( 2.262 -3.339 0.000) 4.033 13.726 ( -3.070 -4.761 0.000) 5.665 14.033 ( 4.854 -2.578 0.000) 5.496 14.602 ( -6.254 4.874 0.000) 7.929 14.716 ( -10.634 -3.357 0.000) 11.151 14.770 ( -3.030 -6.747 0.000) 7.396 15.425 ( -10.999 -3.736 0.000) 11.616 15.855 ( 7.730 1.181 0.000) 7.820 16.515 ( 11.305 -1.143 0.000) 11.362 17.130 ( -3.010 -1.379 0.000) 3.311 17.464 ( -8.186 8.321 0.000) 11.672 17.651 ( -0.992 -1.566 0.000) 1.854 18.004 ( 0.088 -2.575 0.000) 2.577 18.541 ( 1.394 1.971 0.000) 2.415 19.161 ( -1.741 6.150 0.000) 6.392 27.221 ( 0.970 1.624 0.000) 1.892 27.388 ( -0.478 1.705 0.000) 1.771 29.604 ( 0.254 1.628 0.000) 1.648 29.849 ( 0.909 2.684 0.000) 2.834 29.904 ( -7.063 1.033 0.000) 7.138 30.353 ( -1.200 -4.344 0.000) 4.507 30.869 ( 17.705 -1.175 0.000) 17.744 33.030 ( -8.933 -0.452 0.000) 8.945 ======================= Grid point 29 (18/180) ======================= q-point: ( 0.25 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 17.754 23.914 0.000) 29.784 2.760 ( 23.895 25.418 0.000) 34.886 4.401 ( 6.085 15.043 0.000) 16.227 4.830 ( -8.061 -0.393 0.000) 8.071 4.917 ( -2.723 2.117 0.000) 3.449 5.558 ( 22.096 -6.323 0.000) 22.982 5.882 ( 0.481 10.041 0.000) 10.053 6.576 ( 1.503 -7.677 0.000) 7.823 6.917 ( -4.433 -19.126 0.000) 19.633 7.391 ( 15.268 4.962 0.000) 16.054 7.754 ( 11.269 3.290 0.000) 11.739 8.363 ( 2.721 -12.798 0.000) 13.084 9.898 ( -4.192 0.389 0.000) 4.210 10.489 ( -11.174 -4.736 0.000) 12.136 10.830 ( -0.986 -8.691 0.000) 8.747 11.356 ( -8.936 2.035 0.000) 9.165 11.689 ( -0.476 5.150 0.000) 5.172 11.869 ( 8.644 1.191 0.000) 8.726 12.165 ( 2.186 1.054 0.000) 2.427 12.319 ( -5.140 -0.720 0.000) 5.190 12.606 ( 0.336 1.225 0.000) 1.270 12.830 ( 10.071 -1.023 0.000) 10.123 13.009 ( 0.425 10.611 0.000) 10.619 13.176 ( 0.774 3.686 0.000) 3.766 13.379 ( 11.798 -9.229 0.000) 14.979 13.555 ( 1.381 -2.136 0.000) 2.544 13.699 ( 0.173 -5.349 0.000) 5.352 14.032 ( -6.689 -1.654 0.000) 6.890 14.440 ( -8.915 4.787 0.000) 10.119 14.529 ( -3.036 -8.804 0.000) 9.313 14.724 ( -3.044 -3.989 0.000) 5.018 15.152 ( -14.980 -7.230 0.000) 16.633 15.997 ( 6.732 4.093 0.000) 7.878 16.762 ( 6.196 6.761 0.000) 9.170 17.022 ( -1.899 -3.894 0.000) 4.333 17.355 ( -1.435 6.868 0.000) 7.017 17.614 ( -2.531 0.340 0.000) 2.553 17.990 ( -2.388 -2.705 0.000) 3.609 18.579 ( 2.804 3.233 0.000) 4.279 19.101 ( -4.206 2.955 0.000) 5.140 27.250 ( 1.852 1.414 0.000) 2.330 27.377 ( -0.642 1.963 0.000) 2.065 29.601 ( -0.542 -1.068 0.000) 1.198 29.756 ( -6.503 -2.211 0.000) 6.869 29.889 ( 2.816 1.668 0.000) 3.273 30.307 ( -3.443 -5.085 0.000) 6.141 31.288 ( 21.683 1.157 0.000) 21.714 32.790 ( -13.799 1.794 0.000) 13.915 ======================= Grid point 30 (19/180) ======================= q-point: ( 0.38 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( 22.623 16.638 0.000) 28.082 3.304 ( 28.272 17.642 0.000) 33.325 4.057 ( -25.571 1.709 0.000) 25.628 4.455 ( -24.183 0.528 0.000) 24.188 5.444 ( 35.389 19.364 0.000) 40.341 5.839 ( 6.982 0.716 0.000) 7.019 5.997 ( 5.014 -0.277 0.000) 5.022 6.532 ( -9.421 2.998 0.000) 9.886 6.900 ( 7.244 -25.301 0.000) 26.317 7.469 ( -7.476 -15.587 0.000) 17.287 8.065 ( 18.126 13.908 0.000) 22.847 8.440 ( 2.326 2.112 0.000) 3.142 9.870 ( 1.919 -2.086 0.000) 2.834 10.229 ( -13.105 -5.406 0.000) 14.177 10.870 ( 4.690 -11.021 0.000) 11.978 11.167 ( -8.634 -6.289 0.000) 10.682 11.713 ( 2.651 10.325 0.000) 10.660 11.963 ( -4.650 3.439 0.000) 5.783 12.149 ( 3.035 -4.653 0.000) 5.555 12.303 ( 0.466 -1.489 0.000) 1.560 12.637 ( 4.024 11.788 0.000) 12.456 12.909 ( -4.105 14.250 0.000) 14.829 13.065 ( 7.459 -1.902 0.000) 7.697 13.241 ( 3.161 -2.223 0.000) 3.865 13.562 ( 0.480 -3.284 0.000) 3.319 13.595 ( 7.007 -6.331 0.000) 9.444 13.704 ( -0.341 -7.596 0.000) 7.604 13.842 ( -8.149 -0.851 0.000) 8.194 14.293 ( -3.462 1.934 0.000) 3.965 14.539 ( -3.196 -7.976 0.000) 8.593 14.632 ( -1.780 -5.607 0.000) 5.883 14.876 ( -10.218 -9.284 0.000) 13.806 16.151 ( 8.569 6.423 0.000) 10.709 16.607 ( -12.908 9.203 0.000) 15.853 17.239 ( 14.504 -1.016 0.000) 14.539 17.372 ( 2.280 3.488 0.000) 4.167 17.559 ( -1.939 1.998 0.000) 2.784 17.877 ( -8.809 -0.533 0.000) 8.825 18.674 ( 6.472 1.584 0.000) 6.663 18.986 ( -6.885 0.960 0.000) 6.952 27.292 ( 2.116 1.520 0.000) 2.606 27.360 ( -1.032 2.038 0.000) 2.285 29.587 ( -0.543 -1.953 0.000) 2.027 29.646 ( -4.042 -2.698 0.000) 4.860 29.970 ( 5.058 -0.931 0.000) 5.143 30.212 ( -5.567 -4.606 0.000) 7.225 31.726 ( 20.539 2.034 0.000) 20.639 32.480 ( -16.219 2.622 0.000) 16.430 ======================= Grid point 31 (20/180) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( -23.250 8.113 0.000) 24.625 3.502 ( 23.250 8.113 0.000) 24.625 3.908 ( -27.326 10.016 0.000) 29.104 3.908 ( 27.326 10.016 0.000) 29.104 5.964 ( -1.912 1.377 0.000) 2.356 5.964 ( 1.912 1.377 0.000) 2.356 6.127 ( -26.222 7.872 0.000) 27.378 6.127 ( 26.222 7.872 0.000) 27.378 7.197 ( -16.562 -21.890 0.000) 27.450 7.197 ( 16.562 -21.890 0.000) 27.450 8.372 ( -9.234 11.501 0.000) 14.749 8.372 ( 9.234 11.501 0.000) 14.749 9.988 ( -8.204 -4.482 0.000) 9.348 9.988 ( 8.204 -4.482 0.000) 9.348 11.002 ( -2.813 -11.179 0.000) 11.528 11.002 ( 2.813 -11.179 0.000) 11.528 11.809 ( -2.761 11.450 0.000) 11.778 11.809 ( 2.761 11.450 0.000) 11.778 12.253 ( -4.537 -9.036 0.000) 10.111 12.253 ( 4.537 -9.036 0.000) 10.111 12.775 ( -7.239 17.116 0.000) 18.584 12.775 ( 7.239 17.116 0.000) 18.584 13.212 ( -1.107 -2.343 0.000) 2.591 13.212 ( 1.107 -2.343 0.000) 2.591 13.604 ( -1.127 -6.338 0.000) 6.437 13.604 ( 1.127 -6.338 0.000) 6.437 13.742 ( -0.666 -2.134 0.000) 2.236 13.742 ( 0.666 -2.134 0.000) 2.236 14.349 ( -8.584 -3.644 0.000) 9.326 14.349 ( 8.584 -3.644 0.000) 9.326 14.720 ( -2.565 -9.028 0.000) 9.385 14.720 ( 2.565 -9.028 0.000) 9.385 16.354 ( -3.758 7.942 0.000) 8.786 16.354 ( 3.758 7.942 0.000) 8.786 17.405 ( -0.209 2.699 0.000) 2.707 17.405 ( 0.209 2.699 0.000) 2.707 17.651 ( -5.861 0.722 0.000) 5.905 17.651 ( 5.861 0.722 0.000) 5.905 18.829 ( -3.472 0.411 0.000) 3.496 18.829 ( 3.472 0.411 0.000) 3.496 27.332 ( -1.252 1.841 0.000) 2.227 27.332 ( 1.252 1.841 0.000) 2.227 29.592 ( -0.689 -2.402 0.000) 2.499 29.592 ( 0.689 -2.402 0.000) 2.499 30.089 ( -4.775 -3.152 0.000) 5.722 30.089 ( 4.775 -3.152 0.000) 5.722 32.125 ( -18.072 2.508 0.000) 18.246 32.125 ( 18.072 2.508 0.000) 18.246 ======================= Grid point 36 (21/180) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 0.000 16.840 0.000) 16.840 2.837 ( 0.000 29.893 0.000) 29.893 4.550 ( 0.000 -8.854 0.000) 8.854 4.559 ( 0.000 3.719 0.000) 3.719 4.744 ( 0.000 2.413 0.000) 2.413 5.512 ( 0.000 5.305 0.000) 5.305 5.705 ( 0.000 -11.186 0.000) 11.186 6.610 ( 0.000 1.276 0.000) 1.276 6.752 ( 0.000 -11.130 0.000) 11.130 6.985 ( 0.000 4.840 0.000) 4.840 7.587 ( 0.000 13.878 0.000) 13.878 7.918 ( 0.000 -20.658 0.000) 20.658 10.166 ( 0.000 5.450 0.000) 5.450 10.715 ( 0.000 2.496 0.000) 2.496 10.791 ( 0.000 -10.939 0.000) 10.939 11.624 ( 0.000 8.009 0.000) 8.009 11.809 ( 0.000 1.324 0.000) 1.324 11.848 ( 0.000 1.252 0.000) 1.252 12.011 ( 0.000 -5.445 0.000) 5.445 12.208 ( 0.000 -1.680 0.000) 1.680 12.417 ( 0.000 -2.894 0.000) 2.894 12.695 ( 0.000 3.201 0.000) 3.201 12.810 ( 0.000 -5.243 0.000) 5.243 13.119 ( 0.000 5.522 0.000) 5.522 13.277 ( 0.000 -15.919 0.000) 15.919 13.569 ( 0.000 12.140 0.000) 12.140 13.723 ( 0.000 -0.579 0.000) 0.579 13.928 ( 0.000 -1.836 0.000) 1.836 14.655 ( 0.000 -4.833 0.000) 4.833 14.756 ( 0.000 3.241 0.000) 3.241 14.799 ( 0.000 -3.650 0.000) 3.650 15.615 ( 0.000 2.775 0.000) 2.775 15.708 ( 0.000 -0.189 0.000) 0.189 16.348 ( 0.000 -2.022 0.000) 2.022 17.138 ( 0.000 -0.617 0.000) 0.617 17.631 ( 0.000 -0.730 0.000) 0.730 17.666 ( 0.000 3.489 0.000) 3.489 17.973 ( 0.000 -1.205 0.000) 1.205 18.532 ( 0.000 0.359 0.000) 0.359 19.296 ( 0.000 4.136 0.000) 4.136 27.235 ( 0.000 0.787 0.000) 0.787 27.422 ( 0.000 1.232 0.000) 1.232 29.667 ( 0.000 2.846 0.000) 2.846 29.905 ( 0.000 3.359 0.000) 3.359 30.046 ( 0.000 0.478 0.000) 0.478 30.320 ( 0.000 -1.165 0.000) 1.165 30.577 ( 0.000 -3.346 0.000) 3.346 33.094 ( 0.000 -1.291 0.000) 1.291 ======================= Grid point 37 (22/180) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 11.289 16.842 0.000) 20.275 2.941 ( 9.940 27.813 0.000) 29.536 4.468 ( 1.193 -3.597 0.000) 3.790 4.733 ( 3.280 -12.134 0.000) 12.569 4.958 ( 22.333 10.788 0.000) 24.802 5.209 ( -15.964 1.203 0.000) 16.010 6.017 ( 16.632 -0.123 0.000) 16.633 6.401 ( -10.994 -0.829 0.000) 11.025 6.710 ( -6.997 -16.424 0.000) 17.853 7.212 ( 16.685 10.101 0.000) 19.504 7.662 ( 4.938 4.426 0.000) 6.631 7.975 ( 7.518 -12.735 0.000) 14.788 10.088 ( -6.478 5.635 0.000) 8.586 10.626 ( -7.664 -2.115 0.000) 7.951 10.743 ( -4.674 -8.003 0.000) 9.268 11.596 ( -7.474 3.630 0.000) 8.309 11.737 ( -3.733 -0.310 0.000) 3.746 11.835 ( 3.134 3.809 0.000) 4.932 12.090 ( 6.696 0.851 0.000) 6.749 12.266 ( 2.359 -4.902 0.000) 5.440 12.470 ( 4.370 -4.490 0.000) 6.265 12.730 ( 3.902 5.566 0.000) 6.797 12.913 ( 9.309 -4.924 0.000) 10.531 13.142 ( 2.371 4.526 0.000) 5.109 13.305 ( 2.477 -14.013 0.000) 14.230 13.541 ( -3.084 12.326 0.000) 12.706 13.679 ( -2.323 -0.004 0.000) 2.323 13.987 ( 4.179 -2.899 0.000) 5.086 14.620 ( -7.900 -3.580 0.000) 8.674 14.647 ( -9.073 -2.792 0.000) 9.493 14.713 ( -3.234 1.470 0.000) 3.552 15.389 ( -14.832 -0.644 0.000) 14.846 15.883 ( 9.341 1.361 0.000) 9.440 16.484 ( 12.590 -1.625 0.000) 12.695 17.108 ( -3.342 -0.735 0.000) 3.422 17.593 ( -5.994 4.946 0.000) 7.771 17.635 ( 0.100 -0.347 0.000) 0.361 17.959 ( -1.065 -1.979 0.000) 2.248 18.572 ( 3.233 1.155 0.000) 3.433 19.253 ( -3.956 3.313 0.000) 5.160 27.242 ( 0.754 0.687 0.000) 1.020 27.420 ( -0.230 1.363 0.000) 1.383 29.644 ( -2.020 2.012 0.000) 2.851 29.873 ( -5.260 -0.143 0.000) 5.262 29.961 ( -3.659 4.975 0.000) 6.176 30.244 ( -3.205 -6.675 0.000) 7.405 30.866 ( 20.816 0.480 0.000) 20.821 33.016 ( -7.351 -0.727 0.000) 7.387 ======================= Grid point 38 (23/180) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 15.424 17.654 0.000) 23.443 3.229 ( 17.527 22.434 0.000) 28.469 4.463 ( -6.032 -8.554 0.000) 10.467 4.663 ( -12.298 -3.924 0.000) 12.909 5.132 ( 14.203 6.910 0.000) 15.794 5.494 ( 25.713 0.780 0.000) 25.725 6.084 ( -5.811 9.695 0.000) 11.303 6.455 ( 12.210 -4.452 0.000) 12.996 6.535 ( -8.535 -17.495 0.000) 19.466 7.384 ( -3.946 -3.611 0.000) 5.349 7.877 ( 19.311 3.965 0.000) 19.714 8.236 ( 15.506 0.871 0.000) 15.530 9.952 ( -5.737 4.850 0.000) 7.512 10.424 ( -11.750 -2.221 0.000) 11.958 10.649 ( -2.821 -9.349 0.000) 9.765 11.322 ( -15.345 -4.136 0.000) 15.893 11.751 ( 2.580 2.331 0.000) 3.477 11.933 ( 5.149 4.571 0.000) 6.885 12.195 ( 1.529 0.893 0.000) 1.771 12.262 ( -2.033 -4.290 0.000) 4.747 12.609 ( 9.973 -0.144 0.000) 9.974 12.849 ( 6.831 3.508 0.000) 7.679 13.120 ( 8.624 0.894 0.000) 8.670 13.247 ( 9.014 -2.032 0.000) 9.241 13.324 ( -2.852 -0.285 0.000) 2.866 13.472 ( -1.507 0.354 0.000) 1.548 13.661 ( 0.078 3.189 0.000) 3.190 14.038 ( -1.603 0.501 0.000) 1.679 14.324 ( -12.460 -10.420 0.000) 16.243 14.531 ( -5.740 3.545 0.000) 6.746 14.653 ( -3.258 -3.105 0.000) 4.501 15.039 ( -18.384 -4.305 0.000) 18.881 16.064 ( 8.616 2.689 0.000) 9.026 16.816 ( 18.010 -0.452 0.000) 18.016 16.975 ( -9.360 -0.517 0.000) 9.374 17.485 ( -3.323 5.891 0.000) 6.763 17.625 ( -1.279 0.511 0.000) 1.377 17.931 ( -2.111 -3.075 0.000) 3.729 18.640 ( 3.297 2.688 0.000) 4.254 19.144 ( -6.412 1.465 0.000) 6.578 27.269 ( 1.800 0.560 0.000) 1.885 27.412 ( -0.537 1.513 0.000) 1.606 29.597 ( -2.211 0.306 0.000) 2.232 29.723 ( -7.025 -1.217 0.000) 7.130 29.943 ( 0.435 4.147 0.000) 4.169 30.184 ( -3.072 -7.237 0.000) 7.863 31.321 ( 22.518 1.756 0.000) 22.587 32.808 ( -12.507 0.360 0.000) 12.512 ======================= Grid point 39 (24/180) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( 17.744 16.957 0.000) 24.543 3.631 ( 20.725 15.515 0.000) 25.889 4.160 ( -19.560 6.670 0.000) 20.666 4.417 ( -13.341 -3.801 0.000) 13.872 5.521 ( 18.266 -5.974 0.000) 19.218 5.830 ( 4.183 -2.019 0.000) 4.645 6.136 ( 10.825 10.125 0.000) 14.822 6.417 ( -0.327 -17.887 0.000) 17.890 6.646 ( 6.045 3.793 0.000) 7.136 7.177 ( -13.726 -12.682 0.000) 18.688 8.306 ( 19.059 8.727 0.000) 20.962 8.514 ( 9.613 5.456 0.000) 11.053 9.882 ( -0.514 2.893 0.000) 2.938 10.168 ( -12.399 -1.141 0.000) 12.452 10.658 ( 3.759 -10.214 0.000) 10.884 11.024 ( -13.160 -7.473 0.000) 15.133 11.832 ( 5.413 1.177 0.000) 5.539 12.005 ( 1.309 2.832 0.000) 3.120 12.161 ( -2.947 3.125 0.000) 4.295 12.201 ( -4.050 -5.164 0.000) 6.562 12.847 ( 11.118 7.247 0.000) 13.272 13.005 ( 9.314 -0.073 0.000) 9.315 13.176 ( -6.586 7.226 0.000) 9.777 13.276 ( 3.026 4.759 0.000) 5.639 13.468 ( 4.364 -5.284 0.000) 6.853 13.483 ( 7.599 -5.371 0.000) 9.305 13.633 ( -4.065 3.634 0.000) 5.453 13.879 ( -8.703 2.650 0.000) 9.097 14.219 ( -1.055 -10.594 0.000) 10.646 14.431 ( -6.079 -1.357 0.000) 6.228 14.552 ( -4.952 -2.872 0.000) 5.725 14.715 ( -10.611 -6.976 0.000) 12.698 16.248 ( 9.545 3.569 0.000) 10.191 16.719 ( -12.986 3.040 0.000) 13.337 17.215 ( 18.236 -1.012 0.000) 18.264 17.462 ( 0.527 5.064 0.000) 5.092 17.587 ( -1.854 0.656 0.000) 1.966 17.843 ( -7.132 -2.412 0.000) 7.529 18.718 ( 4.753 2.416 0.000) 5.332 18.998 ( -7.630 0.256 0.000) 7.634 27.313 ( 2.416 0.694 0.000) 2.514 27.395 ( -1.214 1.417 0.000) 1.866 29.561 ( -1.133 -0.841 0.000) 1.411 29.609 ( -3.969 -1.141 0.000) 4.130 29.969 ( 2.162 1.036 0.000) 2.397 30.112 ( -3.927 -5.447 0.000) 6.715 31.768 ( 20.729 1.949 0.000) 20.820 32.516 ( -15.686 1.213 0.000) 15.733 ======================= Grid point 40 (25/180) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.727 ( -17.310 13.309 0.000) 21.834 3.727 ( 17.310 13.309 0.000) 21.834 4.076 ( -17.850 6.672 0.000) 19.056 4.076 ( 17.850 6.672 0.000) 19.056 5.784 ( -5.849 -12.116 0.000) 13.454 5.784 ( 5.849 -12.116 0.000) 13.454 6.352 ( -9.631 7.159 0.000) 12.000 6.352 ( 9.631 7.159 0.000) 12.000 6.866 ( -14.846 -10.346 0.000) 18.095 6.866 ( 14.846 -10.346 0.000) 18.095 8.568 ( -5.142 8.228 0.000) 9.703 8.568 ( 5.142 8.228 0.000) 9.703 9.953 ( -5.790 0.466 0.000) 5.809 9.953 ( 5.790 0.466 0.000) 5.809 10.794 ( -5.168 -9.664 0.000) 10.959 10.794 ( 5.168 -9.664 0.000) 10.959 11.959 ( -5.756 1.119 0.000) 5.864 11.959 ( 5.756 1.119 0.000) 5.864 12.134 ( -0.150 0.129 0.000) 0.198 12.134 ( 0.150 0.129 0.000) 0.198 13.026 ( -6.994 6.406 0.000) 9.484 13.026 ( 6.994 6.406 0.000) 9.484 13.226 ( -7.254 3.991 0.000) 8.279 13.226 ( 7.254 3.991 0.000) 8.279 13.500 ( -2.925 -3.598 0.000) 4.637 13.500 ( 2.925 -3.598 0.000) 4.637 13.728 ( -8.707 1.261 0.000) 8.798 13.728 ( 8.707 1.261 0.000) 8.798 14.253 ( -4.850 -6.607 0.000) 8.196 14.253 ( 4.850 -6.607 0.000) 8.196 14.574 ( -1.331 -5.334 0.000) 5.498 14.574 ( 1.331 -5.334 0.000) 5.498 16.464 ( -6.072 3.633 0.000) 7.076 16.464 ( 6.072 3.633 0.000) 7.076 17.465 ( -0.411 3.193 0.000) 3.220 17.465 ( 0.411 3.193 0.000) 3.220 17.642 ( -4.205 -1.406 0.000) 4.433 17.642 ( 4.205 -1.406 0.000) 4.433 18.842 ( -3.909 0.784 0.000) 3.987 18.842 ( 3.909 0.784 0.000) 3.987 27.361 ( -1.899 1.074 0.000) 2.182 27.361 ( 1.899 1.074 0.000) 2.182 29.559 ( -0.844 -1.098 0.000) 1.385 29.559 ( 0.844 -1.098 0.000) 1.385 30.031 ( -3.144 -2.477 0.000) 4.002 30.031 ( 3.144 -2.477 0.000) 4.002 32.168 ( -18.159 1.723 0.000) 18.241 32.168 ( 18.159 1.723 0.000) 18.241 ======================= Grid point 45 (26/180) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 10.248 ( 0.000 0.000 0.000) 0.000 10.650 ( 0.000 0.000 0.000) 0.000 10.740 ( 0.000 0.000 0.000) 0.000 11.709 ( 0.000 0.000 0.000) 0.000 11.822 ( 0.000 0.000 0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 11.963 ( 0.000 0.000 0.000) 0.000 12.184 ( 0.000 0.000 0.000) 0.000 12.389 ( 0.000 0.000 0.000) 0.000 12.756 ( 0.000 0.000 0.000) 0.000 12.774 ( 0.000 0.000 0.000) 0.000 13.052 ( 0.000 0.000 0.000) 0.000 13.175 ( 0.000 0.000 0.000) 0.000 13.711 ( 0.000 0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 13.891 ( 0.000 0.000 0.000) 0.000 14.608 ( 0.000 0.000 0.000) 0.000 14.761 ( 0.000 0.000 0.000) 0.000 14.787 ( 0.000 0.000 0.000) 0.000 15.646 ( 0.000 0.000 0.000) 0.000 15.706 ( 0.000 0.000 0.000) 0.000 16.326 ( 0.000 0.000 0.000) 0.000 17.132 ( 0.000 0.000 0.000) 0.000 17.625 ( 0.000 0.000 0.000) 0.000 17.700 ( 0.000 0.000 0.000) 0.000 17.961 ( 0.000 0.000 0.000) 0.000 18.535 ( 0.000 0.000 0.000) 0.000 19.336 ( 0.000 0.000 0.000) 0.000 27.243 ( 0.000 0.000 0.000) 0.000 27.435 ( 0.000 0.000 0.000) 0.000 29.696 ( 0.000 0.000 0.000) 0.000 29.947 ( 0.000 0.000 0.000) 0.000 30.038 ( 0.000 -0.000 0.000) 0.000 30.312 ( 0.000 0.000 0.000) 0.000 30.543 ( 0.000 0.000 0.000) 0.000 33.081 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 47 (27/180) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 11.619 -0.000 0.000) 11.619 3.269 ( 7.953 -0.000 0.000) 7.953 4.295 ( -1.100 0.000 0.000) 1.100 4.624 ( 11.003 0.000 0.000) 11.003 5.129 ( 13.225 -0.000 0.000) 13.225 5.236 ( -13.087 0.000 0.000) 13.087 5.989 ( 21.382 0.000 0.000) 21.382 6.442 ( -12.429 0.000 0.000) 12.429 6.509 ( -7.933 0.000 0.000) 7.933 7.389 ( 21.889 -0.000 0.000) 21.889 7.550 ( -7.965 0.000 0.000) 7.965 7.934 ( 14.785 0.000 0.000) 14.785 10.171 ( -6.639 0.000 0.000) 6.639 10.559 ( -6.802 0.000 0.000) 6.802 10.679 ( -6.289 0.000 0.000) 6.289 11.610 ( -14.181 0.000 0.000) 14.181 11.759 ( 0.034 0.000 0.000) 0.034 11.876 ( 4.863 0.000 0.000) 4.863 12.100 ( 7.785 0.000 0.000) 7.785 12.213 ( 1.543 -0.000 0.000) 1.543 12.423 ( 3.991 0.000 0.000) 3.991 12.838 ( 4.524 -0.000 0.000) 4.524 12.860 ( 9.538 0.000 0.000) 9.538 13.084 ( 3.275 0.000 0.000) 3.275 13.205 ( 3.225 0.000 0.000) 3.225 13.656 ( -5.736 0.000 0.000) 5.736 13.724 ( 1.313 0.000 0.000) 1.313 13.935 ( 3.278 0.000 0.000) 3.278 14.576 ( -9.984 0.000 0.000) 9.984 14.618 ( -5.797 0.000 0.000) 5.797 14.734 ( -4.744 0.000 0.000) 4.744 15.385 ( -16.616 0.000 0.000) 16.616 15.897 ( 9.801 0.000 0.000) 9.801 16.466 ( 12.690 0.000 0.000) 12.690 17.102 ( -3.293 0.000 0.000) 3.293 17.632 ( 0.467 0.000 0.000) 0.467 17.643 ( -4.826 0.000 0.000) 4.826 17.938 ( -1.886 0.000 0.000) 1.886 18.583 ( 3.977 0.000 0.000) 3.977 19.285 ( -4.678 0.000 0.000) 4.678 27.249 ( 0.677 0.000 0.000) 0.677 27.434 ( -0.130 0.000 0.000) 0.130 29.665 ( -2.717 0.000 0.000) 2.717 29.868 ( -7.183 0.000 0.000) 7.183 30.047 ( 0.545 -0.000 0.000) 0.545 30.141 ( -7.170 0.000 0.000) 7.170 30.873 ( 21.964 0.000 0.000) 21.964 33.008 ( -6.905 0.000 0.000) 6.905 ======================= Grid point 49 (28/180) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 16.357 -0.000 0.000) 16.357 3.498 ( 13.982 -0.000 0.000) 13.982 4.292 ( -0.357 0.000 0.000) 0.357 4.653 ( -10.775 0.000 0.000) 10.775 5.207 ( 11.224 0.000 0.000) 11.224 5.489 ( 19.811 0.000 0.000) 19.811 6.222 ( -6.788 0.000 0.000) 6.788 6.320 ( -9.044 -0.000 0.000) 9.044 6.417 ( 18.464 0.000 0.000) 18.464 7.339 ( -12.681 0.000 0.000) 12.681 7.893 ( 25.728 0.000 0.000) 25.728 8.281 ( 17.514 0.000 0.000) 17.514 10.023 ( -6.718 0.000 0.000) 6.718 10.397 ( -9.888 -0.000 0.000) 9.888 10.542 ( -4.394 0.000 0.000) 4.394 11.271 ( -17.163 0.000 0.000) 17.163 11.779 ( 1.478 0.000 0.000) 1.478 11.986 ( 4.773 0.000 0.000) 4.773 12.197 ( 1.199 0.000 0.000) 1.199 12.211 ( -1.768 -0.000 0.000) 1.768 12.609 ( 13.986 0.000 0.000) 13.986 12.914 ( 3.124 -0.000 0.000) 3.124 13.105 ( 13.007 0.000 0.000) 13.007 13.185 ( 6.257 0.000 0.000) 6.257 13.301 ( 5.269 0.000 0.000) 5.269 13.509 ( -8.199 0.000 0.000) 8.199 13.768 ( 3.014 0.000 0.000) 3.014 14.005 ( 3.411 -0.000 0.000) 3.411 14.210 ( -20.369 0.000 0.000) 20.369 14.576 ( -2.097 0.000 0.000) 2.097 14.614 ( -6.794 0.000 0.000) 6.794 14.996 ( -20.343 0.000 0.000) 20.343 16.091 ( 9.223 0.000 0.000) 9.223 16.801 ( 18.878 -0.000 0.000) 18.878 16.976 ( -9.092 0.000 0.000) 9.092 17.549 ( -3.256 0.000 0.000) 3.256 17.629 ( -1.095 0.000 0.000) 1.095 17.895 ( -2.389 -0.000 0.000) 2.389 18.668 ( 3.876 0.000 0.000) 3.876 19.158 ( -7.319 0.000 0.000) 7.319 27.274 ( 1.788 0.000 0.000) 1.788 27.428 ( -0.521 0.000 0.000) 0.521 29.602 ( -3.051 0.000 0.000) 3.051 29.711 ( -6.948 0.000 0.000) 6.948 30.046 ( -3.020 0.000 0.000) 3.020 30.050 ( -0.413 -0.000 0.000) 0.413 31.340 ( 22.754 0.000 0.000) 22.754 32.810 ( -12.009 0.000 0.000) 12.009 ======================= Grid point 51 (29/180) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( 17.201 0.000 0.000) 17.201 3.819 ( 16.494 -0.000 0.000) 16.494 4.199 ( -10.964 0.000 0.000) 10.964 4.387 ( -11.667 0.000 0.000) 11.667 5.455 ( 10.087 0.000 0.000) 10.087 5.761 ( 1.233 0.000 0.000) 1.233 6.223 ( 7.415 0.000 0.000) 7.415 6.264 ( 7.159 -0.000 0.000) 7.159 6.699 ( 7.973 0.000 0.000) 7.973 7.043 ( -15.342 0.000 0.000) 15.342 8.382 ( 20.207 0.000 0.000) 20.207 8.586 ( 10.511 0.000 0.000) 10.511 9.928 ( -1.923 0.000 0.000) 1.923 10.163 ( -11.590 0.000 0.000) 11.590 10.541 ( 3.926 0.000 0.000) 3.926 10.940 ( -14.554 0.000 0.000) 14.554 11.831 ( 3.885 0.000 0.000) 3.885 12.028 ( -1.665 -0.000 0.000) 1.665 12.170 ( -1.073 0.000 0.000) 1.073 12.190 ( -1.080 -0.000 0.000) 1.080 12.912 ( 11.817 -0.000 0.000) 11.817 13.011 ( 9.136 -0.000 0.000) 9.136 13.213 ( -3.963 0.000 0.000) 3.963 13.357 ( -1.161 0.000 0.000) 1.161 13.393 ( 3.573 -0.000 0.000) 3.573 13.430 ( 12.121 0.000 0.000) 12.121 13.811 ( -16.898 -0.000 0.000) 16.898 13.830 ( 1.862 0.000 0.000) 1.862 14.071 ( 3.043 -0.000 0.000) 3.043 14.418 ( -13.975 0.000 0.000) 13.975 14.530 ( -1.856 0.000 0.000) 1.856 14.639 ( -11.029 0.000 0.000) 11.029 16.283 ( 9.694 0.000 0.000) 9.694 16.745 ( -12.336 0.000 0.000) 12.336 17.205 ( 19.130 0.000 0.000) 19.130 17.526 ( 0.917 0.000 0.000) 0.917 17.586 ( -2.934 -0.000 0.000) 2.934 17.813 ( -6.512 -0.000 0.000) 6.512 18.745 ( 4.077 0.000 0.000) 4.077 18.999 ( -7.788 0.000 0.000) 7.788 27.320 ( 2.565 0.000 0.000) 2.565 27.409 ( -1.343 0.000 0.000) 1.343 29.553 ( -1.459 0.000 0.000) 1.459 29.599 ( -3.911 0.000 0.000) 3.911 30.005 ( -0.941 0.000 0.000) 0.941 30.030 ( -1.312 -0.000 0.000) 1.312 31.788 ( 20.665 0.000 0.000) 20.665 32.527 ( -15.330 0.000 0.000) 15.330 ======================= Grid point 53 (30/180) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( -17.111 0.000 0.000) 17.111 3.887 ( 17.111 0.000 0.000) 17.111 4.141 ( -13.980 0.000 0.000) 13.980 4.141 ( 13.980 0.000 0.000) 13.980 5.638 ( -8.690 0.000 0.000) 8.690 5.638 ( 8.690 0.000 0.000) 8.690 6.395 ( -2.517 0.000 0.000) 2.517 6.395 ( 2.517 0.000 0.000) 2.517 6.792 ( -5.949 0.000 0.000) 5.949 6.792 ( 5.949 0.000 0.000) 5.949 8.653 ( -4.974 0.000 0.000) 4.974 8.653 ( 4.974 0.000 0.000) 4.974 9.969 ( -6.241 0.000 0.000) 6.241 9.969 ( 6.241 0.000 0.000) 6.241 10.687 ( -9.924 0.000 0.000) 9.924 10.687 ( 9.924 0.000 0.000) 9.924 11.936 ( -5.811 0.000 0.000) 5.811 11.936 ( 5.811 0.000 0.000) 5.811 12.171 ( -0.637 0.000 0.000) 0.637 12.171 ( 0.637 0.000 0.000) 0.637 13.070 ( -7.152 -0.000 0.000) 7.152 13.070 ( 7.152 0.000 0.000) 7.152 13.271 ( -10.231 0.000 0.000) 10.231 13.271 ( 10.231 0.000 0.000) 10.231 13.476 ( -6.207 0.000 0.000) 6.207 13.476 ( 6.207 0.000 0.000) 6.207 13.767 ( -9.117 0.000 0.000) 9.117 13.767 ( 9.117 0.000 0.000) 9.117 14.157 ( -7.477 0.000 0.000) 7.477 14.157 ( 7.477 0.000 0.000) 7.477 14.525 ( -1.938 0.000 0.000) 1.938 14.525 ( 1.938 0.000 0.000) 1.938 16.498 ( -11.332 0.000 0.000) 11.332 16.498 ( 11.332 0.000 0.000) 11.332 17.504 ( -6.812 0.000 0.000) 6.812 17.504 ( 6.812 0.000 0.000) 6.812 17.620 ( -10.242 0.000 0.000) 10.242 17.620 ( 10.242 0.000 0.000) 10.242 18.851 ( -6.347 0.000 0.000) 6.347 18.851 ( 6.347 0.000 0.000) 6.347 27.372 ( -2.287 0.000 0.000) 2.287 27.372 ( 2.287 0.000 0.000) 2.287 29.548 ( -1.092 0.000 0.000) 1.092 29.548 ( 1.092 0.000 0.000) 1.092 30.005 ( -0.832 0.000 0.000) 0.832 30.005 ( 0.832 0.000 0.000) 0.832 32.185 ( -17.988 0.000 0.000) 17.988 32.185 ( 17.988 0.000 0.000) 17.988 ======================= Grid point 99 (31/180) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.000 0.000 39.167) 39.167 0.906 ( 0.000 0.000 43.323) 43.323 1.581 ( 0.000 0.000 74.987) 74.987 4.685 ( 0.000 0.000 -1.920) 1.920 5.329 ( 0.000 0.000 -6.029) 6.029 5.517 ( 0.000 0.000 0.908) 0.908 5.926 ( 0.000 0.000 -0.105) 0.105 6.695 ( 0.000 0.000 -7.411) 7.411 7.039 ( 0.000 0.000 -25.028) 25.028 7.054 ( 0.000 0.000 -3.824) 3.824 7.776 ( 0.000 0.000 -25.135) 25.135 8.992 ( 0.000 0.000 -21.128) 21.128 10.357 ( 0.000 0.000 14.322) 14.322 10.511 ( 0.000 0.000 16.968) 16.968 10.790 ( 0.000 0.000 -20.352) 20.352 11.300 ( 0.000 0.000 -0.372) 0.372 11.706 ( 0.000 0.000 4.817) 4.817 12.050 ( 0.000 0.000 -3.380) 3.380 12.193 ( 0.000 0.000 2.610) 2.610 12.249 ( 0.000 0.000 10.138) 10.138 12.452 ( 0.000 0.000 1.367) 1.367 12.684 ( 0.000 0.000 -2.075) 2.075 13.189 ( 0.000 0.000 -2.015) 2.015 13.316 ( 0.000 0.000 -9.432) 9.432 13.563 ( 0.000 0.000 4.060) 4.060 13.576 ( 0.000 0.000 15.249) 15.249 13.953 ( 0.000 0.000 -6.951) 6.951 13.970 ( 0.000 0.000 0.133) 0.133 14.666 ( 0.000 0.000 -0.427) 0.427 14.715 ( 0.000 0.000 0.534) 0.534 15.067 ( 0.000 0.000 0.324) 0.324 15.668 ( 0.000 0.000 -2.238) 2.238 15.949 ( 0.000 0.000 5.792) 5.792 16.107 ( 0.000 0.000 -3.409) 3.409 17.087 ( 0.000 0.000 6.269) 6.269 17.337 ( 0.000 0.000 4.933) 4.933 17.883 ( 0.000 0.000 -2.035) 2.035 17.995 ( 0.000 0.000 2.447) 2.447 18.491 ( 0.000 0.000 -0.695) 0.695 18.534 ( 0.000 0.000 5.439) 5.439 27.125 ( 0.000 0.000 1.605) 1.605 27.365 ( 0.000 0.000 0.843) 0.843 29.486 ( 0.000 0.000 2.876) 2.876 29.802 ( 0.000 0.000 1.597) 1.597 30.429 ( 0.000 0.000 0.435) 0.435 30.639 ( 0.000 0.000 5.976) 5.976 30.798 ( 0.000 0.000 -3.687) 3.687 32.763 ( 0.000 0.000 -3.498) 3.498 ======================= Grid point 100 (32/180) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 12.573 0.000 42.305) 44.134 1.188 ( 30.938 0.000 27.337) 41.285 2.114 ( 54.445 0.000 45.959) 71.249 4.833 ( 10.995 0.000 -3.477) 11.532 5.295 ( -3.725 0.000 -5.932) 7.005 5.472 ( -5.484 0.000 -1.108) 5.595 6.011 ( 11.269 0.000 1.355) 11.350 6.395 ( -19.281 0.000 -3.397) 19.578 6.982 ( -5.197 0.000 -24.246) 24.796 7.335 ( 17.880 0.000 -8.823) 19.939 7.794 ( 1.078 0.000 -20.913) 20.941 8.920 ( -7.195 0.000 -21.656) 22.820 10.268 ( -4.393 0.000 15.044) 15.673 10.655 ( 9.552 0.000 11.587) 15.016 10.771 ( -0.794 0.000 -18.379) 18.397 11.366 ( 4.616 0.000 0.550) 4.648 11.586 ( -7.827 0.000 5.444) 9.534 11.778 ( -17.499 0.000 7.465) 19.024 12.245 ( 0.697 0.000 0.171) 0.718 12.293 ( 2.090 0.000 2.531) 3.283 12.478 ( 3.147 0.000 2.426) 3.973 12.659 ( -1.946 0.000 -4.020) 4.466 12.972 ( -7.807 0.000 18.183) 19.788 13.335 ( 2.048 0.000 -7.598) 7.869 13.571 ( 1.235 0.000 4.205) 4.383 13.615 ( 4.976 0.000 5.673) 7.546 14.026 ( 4.886 0.000 -0.200) 4.890 14.240 ( 10.575 0.000 -9.424) 14.165 14.650 ( -3.802 0.000 1.269) 4.008 14.653 ( -5.392 0.000 0.865) 5.461 15.123 ( 4.658 0.000 -0.265) 4.665 15.248 ( -15.422 0.000 4.579) 16.087 16.033 ( -6.763 0.000 -1.909) 7.027 16.053 ( -0.607 0.000 9.764) 9.783 17.099 ( 1.339 0.000 5.420) 5.583 17.162 ( -3.777 0.000 5.296) 6.505 17.932 ( -5.538 0.000 2.208) 5.962 17.998 ( -0.631 0.000 -0.856) 1.064 18.551 ( 5.053 0.000 -0.511) 5.079 18.701 ( 8.985 0.000 -8.327) 12.250 27.137 ( 1.220 0.000 1.461) 1.904 27.356 ( -0.806 0.000 0.906) 1.213 29.648 ( 8.206 0.000 -2.714) 8.643 29.806 ( 0.845 0.000 1.272) 1.527 30.262 ( -11.570 0.000 0.485) 11.580 30.590 ( -3.841 0.000 3.832) 5.425 31.019 ( 15.885 0.000 -1.746) 15.980 32.632 ( -8.225 0.000 1.441) 8.350 ======================= Grid point 101 (33/180) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 38.032 0.000 7.951) 38.854 1.937 ( 40.172 0.000 17.034) 43.635 3.313 ( 57.924 0.000 32.392) 66.365 4.785 ( -20.344 0.000 -8.434) 22.023 5.090 ( -18.771 0.000 -2.574) 18.947 5.518 ( 12.775 0.000 2.509) 13.019 6.092 ( -7.194 0.000 -4.232) 8.347 6.385 ( 21.955 0.000 -0.858) 21.972 6.845 ( -6.702 0.000 -21.412) 22.436 7.667 ( 13.209 0.000 -12.719) 18.337 7.800 ( -0.301 0.000 -13.428) 13.431 8.689 ( -15.411 0.000 -21.574) 26.513 10.231 ( 1.191 0.000 12.922) 12.977 10.791 ( 2.871 0.000 -15.528) 15.791 10.836 ( 7.629 0.000 3.803) 8.525 11.337 ( -11.345 0.000 13.862) 17.913 11.495 ( -0.098 0.000 6.091) 6.092 11.541 ( -2.770 0.000 1.610) 3.204 12.171 ( -6.697 0.000 -3.194) 7.419 12.316 ( 0.081 0.000 -4.835) 4.836 12.539 ( 1.271 0.000 1.841) 2.237 12.579 ( -6.285 0.000 1.821) 6.543 12.947 ( 4.977 0.000 5.712) 7.576 13.403 ( 4.031 0.000 -3.485) 5.329 13.625 ( 3.896 0.000 5.409) 6.667 13.742 ( 6.695 0.000 2.838) 7.271 14.147 ( 6.369 0.000 -0.624) 6.399 14.288 ( -5.030 0.000 6.401) 8.141 14.506 ( -6.041 0.000 2.793) 6.656 14.511 ( -8.184 0.000 0.911) 8.235 15.165 ( 2.381 0.000 -8.333) 8.666 15.222 ( 4.211 0.000 -1.811) 4.584 15.866 ( -8.222 0.000 2.216) 8.515 15.973 ( -5.671 0.000 13.511) 14.652 17.153 ( 4.207 0.000 3.562) 5.513 17.177 ( 3.626 0.000 0.659) 3.686 17.791 ( -7.862 0.000 1.967) 8.104 17.895 ( -7.985 0.000 1.684) 8.161 18.667 ( 5.691 0.000 -0.478) 5.711 18.820 ( 3.293 0.000 -6.514) 7.299 27.172 ( 2.102 0.000 1.366) 2.507 27.334 ( -1.354 0.000 1.064) 1.722 29.725 ( 0.419 0.000 1.369) 1.431 29.873 ( 5.557 0.000 0.174) 5.560 30.035 ( -9.967 0.000 0.692) 9.991 30.484 ( -6.434 0.000 3.061) 7.125 31.367 ( 17.401 0.000 -1.542) 17.469 32.469 ( -8.163 0.000 -0.117) 8.164 ======================= Grid point 102 (34/180) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 42.211 0.000 -4.909) 42.495 2.793 ( 42.288 0.000 11.302) 43.772 4.187 ( -34.684 0.000 -8.389) 35.684 4.306 ( 11.506 0.000 18.580) 21.854 4.641 ( 3.346 0.000 10.091) 10.631 5.696 ( -1.589 0.000 7.419) 7.587 6.102 ( 6.036 0.000 -8.345) 10.299 6.505 ( -10.840 0.000 -9.874) 14.663 7.057 ( 27.486 0.000 -13.883) 30.793 7.820 ( 3.202 0.000 -10.505) 10.982 7.835 ( 2.170 0.000 -14.997) 15.153 8.295 ( -22.027 0.000 -19.155) 29.190 10.327 ( 8.210 0.000 11.173) 13.865 10.805 ( -6.641 0.000 0.526) 6.662 10.989 ( 8.137 0.000 1.644) 8.302 11.150 ( -0.131 0.000 2.465) 2.468 11.465 ( -6.313 0.000 4.600) 7.812 11.530 ( 0.094 0.000 0.509) 0.518 12.041 ( -3.238 0.000 -2.725) 4.232 12.284 ( -5.000 0.000 -10.333) 11.480 12.447 ( -3.617 0.000 4.294) 5.614 12.523 ( -2.388 0.000 -2.025) 3.132 13.133 ( 11.686 0.000 -1.900) 11.839 13.455 ( -0.209 0.000 -0.060) 0.218 13.723 ( 5.542 0.000 7.761) 9.537 13.863 ( 3.935 0.000 2.484) 4.653 14.137 ( -6.113 0.000 13.416) 14.742 14.256 ( 1.478 0.000 2.216) 2.664 14.342 ( -5.375 0.000 -2.160) 5.793 14.437 ( -2.304 0.000 -1.115) 2.560 15.220 ( 2.161 0.000 -7.342) 7.654 15.269 ( 0.179 0.000 -3.770) 3.775 15.752 ( -2.065 0.000 7.262) 7.550 15.857 ( -5.179 0.000 12.377) 13.417 17.277 ( 7.795 0.000 1.640) 7.966 17.283 ( 6.412 0.000 -0.002) 6.412 17.619 ( -8.571 0.000 1.965) 8.793 17.700 ( -10.528 0.000 1.685) 10.662 18.771 ( 4.229 0.000 -0.876) 4.319 18.855 ( 0.307 0.000 -3.576) 3.589 27.218 ( 2.292 0.000 1.373) 2.672 27.302 ( -1.710 0.000 1.236) 2.110 29.727 ( 0.515 0.000 1.946) 2.013 29.863 ( -6.685 0.000 1.087) 6.773 30.007 ( 7.248 0.000 1.128) 7.336 30.334 ( -7.948 0.000 2.429) 8.311 31.716 ( 16.323 0.000 -1.639) 16.405 32.279 ( -10.668 0.000 -1.303) 10.748 ======================= Grid point 103 (35/180) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( -32.068 0.000 -8.068) 33.068 3.365 ( 32.068 0.000 -8.068) 33.068 3.698 ( -32.865 0.000 8.385) 33.918 3.698 ( 32.865 0.000 8.385) 33.918 5.343 ( -31.102 0.000 16.582) 35.246 5.343 ( 31.102 0.000 16.582) 35.246 6.274 ( -10.029 0.000 -10.803) 14.740 6.274 ( 10.029 0.000 -10.803) 14.740 7.633 ( -24.353 0.000 -16.026) 29.153 7.633 ( 24.353 0.000 -16.026) 29.153 7.936 ( -8.642 0.000 -13.323) 15.880 7.936 ( 8.642 0.000 -13.323) 15.880 10.557 ( -11.855 0.000 10.758) 16.008 10.557 ( 11.855 0.000 10.758) 16.008 11.166 ( -6.157 0.000 1.381) 6.310 11.166 ( 6.157 0.000 1.381) 6.310 11.423 ( -4.672 0.000 -2.883) 5.490 11.423 ( 4.672 0.000 -2.883) 5.490 12.113 ( -8.668 0.000 -2.717) 9.084 12.113 ( 8.668 0.000 -2.717) 9.084 12.462 ( -2.914 0.000 -4.243) 5.147 12.462 ( 2.914 0.000 -4.243) 5.147 13.361 ( -8.721 0.000 -0.519) 8.737 13.361 ( 8.721 0.000 -0.519) 8.737 13.841 ( -2.449 0.000 8.801) 9.135 13.841 ( 2.449 0.000 8.801) 9.135 14.140 ( -1.936 0.000 5.455) 5.789 14.140 ( 1.936 0.000 5.455) 5.789 14.382 ( -1.161 0.000 -2.270) 2.550 14.382 ( 1.161 0.000 -2.270) 2.550 15.252 ( -0.156 0.000 -4.737) 4.739 15.252 ( 0.156 0.000 -4.737) 4.739 15.770 ( -0.358 0.000 10.050) 10.056 15.770 ( 0.358 0.000 10.050) 10.056 17.418 ( -2.697 0.000 -1.635) 3.154 17.418 ( 2.697 0.000 -1.635) 3.154 17.495 ( -5.462 0.000 3.889) 6.705 17.495 ( 5.462 0.000 3.889) 6.705 18.836 ( -0.710 0.000 -1.822) 1.956 18.836 ( 0.710 0.000 -1.822) 1.956 27.263 ( -1.916 0.000 1.347) 2.342 27.263 ( 1.916 0.000 1.347) 2.342 29.762 ( -2.388 0.000 1.581) 2.864 29.762 ( 2.388 0.000 1.581) 2.864 30.166 ( -6.754 0.000 1.825) 6.996 30.166 ( 6.754 0.000 1.825) 6.996 32.027 ( -13.513 0.000 -1.654) 13.614 32.027 ( 13.513 0.000 -1.654) 13.614 ======================= Grid point 108 (36/180) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.000 25.711 32.612) 41.529 1.229 ( 0.000 13.357 46.873) 48.739 1.915 ( 0.000 51.193 43.225) 67.001 4.723 ( 0.000 3.681 -1.227) 3.880 5.449 ( 0.000 10.387 -7.006) 12.528 5.502 ( 0.000 -1.550 0.922) 1.804 5.860 ( 0.000 -5.396 -0.221) 5.401 6.630 ( 0.000 -6.318 -7.580) 9.868 6.960 ( 0.000 -9.053 -5.295) 10.487 7.019 ( 0.000 -1.655 -21.346) 21.410 7.672 ( 0.000 -10.137 -21.403) 23.682 8.915 ( 0.000 -8.709 -19.331) 21.202 10.339 ( 0.000 -2.297 11.570) 11.796 10.474 ( 0.000 -2.378 7.404) 7.777 10.784 ( 0.000 -0.481 -18.837) 18.844 11.300 ( 0.000 -0.713 3.975) 4.038 11.729 ( 0.000 2.972 1.473) 3.318 11.906 ( 0.000 -13.013 6.988) 14.770 12.112 ( 0.000 5.505 -0.446) 5.523 12.406 ( 0.000 6.212 6.872) 9.263 12.513 ( 0.000 4.387 -0.232) 4.393 12.719 ( 0.000 5.193 0.802) 5.255 12.947 ( 0.000 -13.259 7.480) 15.223 13.344 ( 0.000 -3.013 -5.922) 6.645 13.526 ( 0.000 -5.073 14.724) 15.574 13.546 ( 0.000 -16.263 11.908) 20.157 13.792 ( 0.000 4.518 -3.479) 5.703 13.964 ( 0.000 -0.464 0.652) 0.800 14.465 ( 0.000 -0.950 2.434) 2.613 14.802 ( 0.000 4.893 2.681) 5.580 15.043 ( 0.000 -2.406 0.504) 2.458 15.676 ( 0.000 0.659 -2.211) 2.307 16.024 ( 0.000 -6.699 2.666) 7.210 16.296 ( 0.000 7.995 -11.237) 13.791 17.102 ( 0.000 3.852 1.321) 4.072 17.380 ( 0.000 4.266 4.651) 6.311 17.865 ( 0.000 -4.533 0.351) 4.547 18.041 ( 0.000 3.383 -0.140) 3.386 18.495 ( 0.000 0.323 -0.725) 0.793 18.637 ( 0.000 10.324 -2.844) 10.709 27.141 ( 0.000 1.673 1.464) 2.223 27.368 ( 0.000 0.342 0.862) 0.927 29.504 ( 0.000 1.840 2.805) 3.355 29.794 ( 0.000 -0.420 2.000) 2.044 30.209 ( 0.000 -10.921 18.183) 21.211 30.585 ( 0.000 -2.410 9.480) 9.781 30.775 ( 0.000 -2.289 -3.552) 4.226 32.926 ( 0.000 7.685 -15.358) 17.174 ======================= Grid point 109 (37/180) ======================= q-point: ( 0.12 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 14.617 17.858 32.175) 39.596 1.478 ( 22.711 22.623 27.150) 42.009 2.485 ( 46.595 37.004 34.819) 68.940 4.862 ( 9.434 2.817 -3.158) 10.339 5.362 ( -6.776 3.081 -5.713) 9.383 5.483 ( -4.121 4.043 -0.387) 5.786 5.898 ( 3.809 -10.389 0.902) 11.102 6.430 ( -8.062 3.329 -2.903) 9.193 6.895 ( -5.047 -8.020 -21.479) 23.477 7.291 ( 17.268 -4.831 -11.126) 21.102 7.696 ( 1.831 -9.169 -17.820) 20.124 8.847 ( -6.753 -8.059 -19.945) 22.546 10.235 ( -4.607 -3.140 13.146) 14.279 10.643 ( 10.136 -1.330 4.332) 11.103 10.776 ( 0.676 0.091 -17.057) 17.070 11.318 ( -0.609 -2.029 5.610) 5.996 11.676 ( -4.075 4.095 2.593) 6.332 11.758 ( -12.987 -0.941 5.603) 14.175 12.160 ( 5.612 -3.649 -0.611) 6.722 12.375 ( -0.671 5.502 2.942) 6.276 12.513 ( -1.717 4.498 1.251) 4.974 12.656 ( -3.714 -0.402 -2.338) 4.407 12.886 ( -3.221 -5.042 11.163) 12.666 13.341 ( 1.601 -2.568 -1.295) 3.292 13.477 ( 2.004 -4.198 3.698) 5.943 13.738 ( 4.456 4.913 7.128) 9.737 13.880 ( 8.623 -16.030 3.224) 18.485 14.144 ( 12.496 -5.868 -2.511) 14.032 14.409 ( -5.256 -0.458 2.344) 5.773 14.766 ( -2.379 3.196 2.457) 4.680 15.015 ( -3.596 -2.956 3.611) 5.891 15.535 ( -8.717 8.339 -3.583) 12.584 15.944 ( -7.084 -5.415 1.051) 8.979 16.276 ( -2.083 12.109 -3.117) 12.676 17.105 ( -0.370 3.514 1.876) 4.001 17.220 ( -5.215 4.152 7.144) 9.771 17.840 ( -4.271 -5.689 2.729) 7.619 18.068 ( -0.802 2.787 -0.397) 2.928 18.490 ( 2.575 -2.475 0.491) 3.606 18.786 ( 7.906 6.516 -7.841) 12.901 27.154 ( 1.219 1.683 1.365) 2.486 27.360 ( -0.730 0.402 0.950) 1.263 29.636 ( 7.496 -1.347 -1.557) 7.773 29.798 ( 0.785 -0.383 1.541) 1.771 30.151 ( -5.901 -7.699 9.057) 13.271 30.542 ( -2.235 -2.184 8.204) 8.779 30.969 ( 15.373 -3.752 -0.903) 15.850 32.771 ( -11.469 8.894 -8.133) 16.637 ======================= Grid point 110 (38/180) ======================= q-point: ( 0.25 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 34.261 13.419 7.289) 37.510 2.095 ( 35.591 14.373 17.722) 42.277 3.544 ( 52.594 22.910 28.033) 63.849 4.764 ( -20.893 -1.912 -8.216) 22.531 5.163 ( -21.658 5.776 1.731) 22.482 5.455 ( 9.057 -4.220 0.341) 9.998 5.981 ( 6.863 -8.079 -2.841) 10.974 6.544 ( 13.091 10.938 -3.085) 17.336 6.781 ( -2.224 -4.480 -20.325) 20.931 7.586 ( 9.001 -10.574 -15.534) 20.836 7.745 ( 4.270 -2.872 -10.476) 11.671 8.634 ( -14.043 -6.012 -19.819) 25.023 10.199 ( 1.306 -3.292 14.067) 14.506 10.757 ( 2.086 -2.908 -5.643) 6.682 10.897 ( 9.091 3.284 -8.266) 12.718 11.207 ( -9.091 -6.274 11.785) 16.152 11.508 ( -6.648 1.629 5.146) 8.564 11.679 ( 0.860 8.010 0.227) 8.059 12.190 ( -4.652 1.030 -4.520) 6.567 12.355 ( -2.605 3.935 -5.592) 7.318 12.445 ( -2.563 -4.664 2.218) 5.765 12.606 ( -2.064 0.332 3.356) 3.954 12.898 ( 5.347 -3.438 1.501) 6.532 13.407 ( 4.093 -2.777 -0.041) 4.947 13.556 ( 5.145 -2.524 3.230) 6.578 13.809 ( 3.231 3.384 4.494) 6.488 14.061 ( 7.932 -10.450 4.983) 14.034 14.209 ( -7.418 -8.212 3.429) 11.585 14.339 ( -0.370 1.234 1.590) 2.047 14.717 ( -3.806 5.792 1.937) 7.196 14.943 ( -0.192 -8.557 3.657) 9.308 15.403 ( -5.629 3.173 -3.370) 7.288 15.796 ( -5.712 -0.942 -1.631) 6.015 16.209 ( -4.103 17.081 5.844) 18.514 17.112 ( 2.614 -1.430 1.563) 3.364 17.232 ( 4.044 3.115 2.992) 5.917 17.719 ( -7.008 -4.400 2.703) 8.705 17.973 ( -7.727 4.875 1.152) 9.209 18.589 ( 6.047 -5.131 -0.652) 7.957 18.889 ( 2.412 4.875 -5.483) 7.723 27.189 ( 2.044 1.606 1.295) 2.904 27.340 ( -1.188 0.656 1.104) 1.749 29.707 ( 0.300 -1.842 1.289) 2.268 29.846 ( 2.658 -2.472 -0.375) 3.649 30.015 ( -5.123 -1.548 4.444) 6.957 30.474 ( -4.778 -0.445 5.672) 7.430 31.326 ( 18.271 -3.466 -1.405) 18.650 32.538 ( -11.111 5.619 -3.960) 13.066 ======================= Grid point 111 (39/180) ======================= q-point: ( 0.38 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 38.967 5.579 -2.843) 39.467 2.882 ( 39.906 8.396 12.156) 42.553 4.128 ( -28.167 -3.675 -4.568) 28.771 4.437 ( -14.420 8.809 11.748) 20.581 4.741 ( 20.108 11.477 13.721) 26.913 5.624 ( 3.699 -3.313 1.374) 5.153 6.142 ( 5.721 0.909 -5.846) 8.230 6.460 ( -13.103 -3.903 -10.295) 17.114 7.142 ( 27.288 7.978 -12.482) 31.050 7.685 ( 4.107 -12.763 -12.446) 18.294 7.845 ( 2.395 0.057 -13.647) 13.856 8.274 ( -20.677 -1.891 -17.507) 27.159 10.291 ( 7.601 -3.827 14.540) 16.847 10.731 ( -6.844 -7.002 8.924) 13.248 11.053 ( 2.542 0.890 -2.923) 3.975 11.119 ( 7.604 1.624 -3.462) 8.511 11.404 ( -4.967 -0.420 3.390) 6.028 11.667 ( -4.905 7.114 -2.930) 9.124 12.059 ( -2.974 2.503 -0.474) 3.916 12.280 ( -4.900 -0.821 -16.205) 16.950 12.423 ( -0.020 -0.638 5.219) 5.258 12.537 ( -4.129 1.513 0.141) 4.400 13.088 ( 11.917 -4.577 -2.892) 13.089 13.460 ( -0.562 -2.182 1.442) 2.675 13.671 ( 5.773 -2.396 3.564) 7.195 13.879 ( 3.592 -0.982 5.452) 6.602 13.997 ( -8.865 -8.510 7.534) 14.414 14.234 ( 3.133 -1.121 1.216) 3.543 14.280 ( -1.479 -3.259 4.882) 6.054 14.601 ( -6.273 7.983 2.491) 10.454 15.016 ( 5.227 -12.091 0.749) 13.194 15.272 ( -6.505 -6.062 0.615) 8.913 15.732 ( -1.035 5.082 -3.545) 6.282 16.128 ( -3.320 18.286 10.110) 21.157 17.215 ( 6.862 -2.752 -0.974) 7.457 17.348 ( 6.827 2.755 1.435) 7.500 17.566 ( -7.375 -2.426 2.702) 8.221 17.779 ( -10.529 5.410 1.619) 11.948 18.710 ( 5.210 -4.302 -1.885) 7.015 18.902 ( -0.802 3.060 -2.252) 3.883 27.233 ( 2.174 1.443 1.277) 2.905 27.312 ( -1.512 1.029 1.285) 2.235 29.703 ( -0.009 -2.182 1.831) 2.849 29.811 ( -4.368 -4.251 1.117) 6.196 30.038 ( 5.658 2.098 2.827) 6.663 30.350 ( -6.980 1.288 4.424) 8.364 31.693 ( 17.141 -1.999 -2.226) 17.400 32.302 ( -12.255 2.140 -3.030) 12.804 ======================= Grid point 112 (40/180) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( -0.000 -1.868 -9.014) 9.205 3.420 ( 0.000 3.179 -4.002) 5.111 3.741 ( -0.003 3.472 10.200) 10.775 3.742 ( 0.003 4.799 10.435) 11.485 5.378 ( -0.000 7.020 9.834) 12.083 5.477 ( 0.000 11.107 14.688) 18.415 6.227 ( 0.000 -4.240 -10.088) 10.943 6.240 ( -0.000 -3.594 -9.388) 10.052 7.651 ( -0.000 -2.131 -15.849) 15.991 7.690 ( 0.000 2.028 -14.971) 15.108 7.847 ( 0.000 -5.420 -14.465) 15.447 7.909 ( -0.000 0.319 -12.034) 12.038 10.458 ( -0.000 -6.373 12.500) 14.031 10.555 ( 0.000 -4.649 19.136) 19.692 11.120 ( -0.000 -3.411 -7.454) 8.197 11.215 ( 0.000 4.671 1.881) 5.036 11.435 ( -0.000 5.944 -3.942) 7.132 11.470 ( 0.000 -1.303 -3.762) 3.981 12.117 ( 0.000 0.750 -0.504) 0.904 12.159 ( -0.000 4.971 -10.605) 11.712 12.447 ( -0.000 -0.589 3.891) 3.935 12.469 ( 0.000 0.865 -9.857) 9.895 13.303 ( -0.000 -6.664 2.276) 7.042 13.373 ( 0.000 -0.414 -2.757) 2.788 13.763 ( -0.000 -1.964 4.569) 4.973 13.868 ( 0.000 -9.090 5.640) 10.697 13.935 ( 0.000 -2.598 7.199) 7.653 14.183 ( -0.000 -0.982 8.697) 8.752 14.352 ( -0.000 -0.714 -3.041) 3.124 14.511 ( 0.000 4.941 3.843) 6.259 15.097 ( 0.000 -9.396 -0.896) 9.439 15.179 ( 0.000 -10.266 3.713) 10.917 15.725 ( 0.000 6.949 -3.885) 7.961 16.091 ( 0.000 17.884 11.291) 21.150 17.362 ( -0.000 -4.476 -3.167) 5.483 17.375 ( 0.000 -1.245 0.249) 1.269 17.546 ( 0.000 2.807 1.540) 3.202 17.582 ( -0.000 6.797 4.995) 8.435 18.775 ( 0.000 -3.319 -3.645) 4.930 18.882 ( 0.000 1.857 0.197) 1.867 27.269 ( -0.000 0.974 0.975) 1.378 27.283 ( 0.000 1.591 1.664) 2.302 29.712 ( 0.000 -3.233 1.124) 3.422 29.751 ( 0.000 -2.468 2.267) 3.351 30.147 ( 0.000 0.542 1.739) 1.822 30.229 ( 0.000 3.018 4.907) 5.760 32.000 ( 0.000 -1.107 -3.650) 3.815 32.047 ( -0.000 0.632 -1.686) 1.800 ======================= Grid point 117 (41/180) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.000 28.736 25.826) 38.636 1.754 ( 0.000 30.826 21.499) 37.583 3.037 ( 0.000 58.717 25.172) 63.886 4.796 ( 0.000 2.722 1.097) 2.934 5.435 ( 0.000 -15.226 -8.696) 17.534 5.460 ( 0.000 -2.453 0.751) 2.565 5.935 ( 0.000 13.335 0.936) 13.367 6.484 ( 0.000 -7.757 -7.926) 11.090 6.762 ( 0.000 -9.644 -8.438) 12.815 7.016 ( 0.000 3.132 -14.096) 14.440 7.421 ( 0.000 -15.391 -14.487) 21.137 8.643 ( 0.000 -19.244 -15.504) 24.713 10.276 ( 0.000 -3.565 9.603) 10.243 10.469 ( 0.000 2.273 -4.866) 5.371 10.772 ( 0.000 -1.013 -17.900) 17.928 11.267 ( 0.000 -2.306 -2.233) 3.210 11.770 ( 0.000 -2.379 0.391) 2.411 11.809 ( 0.000 4.585 2.882) 5.416 12.216 ( 0.000 4.057 2.492) 4.761 12.482 ( 0.000 0.214 4.054) 4.060 12.567 ( 0.000 2.426 2.745) 3.663 12.717 ( 0.000 -11.075 6.483) 12.833 12.916 ( 0.000 13.615 4.007) 14.192 13.085 ( 0.000 -15.207 2.955) 15.492 13.397 ( 0.000 -7.507 13.198) 15.183 13.455 ( 0.000 1.358 -2.108) 2.508 13.872 ( 0.000 1.288 -0.963) 1.609 13.959 ( 0.000 -0.078 1.454) 1.456 14.538 ( 0.000 6.272 -0.770) 6.319 14.893 ( 0.000 3.165 4.887) 5.822 14.981 ( 0.000 -3.926 0.898) 4.027 15.687 ( 0.000 0.422 -2.113) 2.155 15.836 ( 0.000 -10.866 8.534) 13.816 16.290 ( 0.000 -4.055 -10.243) 11.016 17.202 ( 0.000 5.041 3.126) 5.932 17.486 ( 0.000 6.397 4.011) 7.550 17.774 ( 0.000 -3.837 4.008) 5.548 18.057 ( 0.000 -1.168 1.774) 2.124 18.503 ( 0.000 0.512 -0.811) 0.959 18.867 ( 0.000 12.138 -8.436) 14.781 27.183 ( 0.000 2.386 1.266) 2.701 27.379 ( 0.000 0.874 0.840) 1.212 29.554 ( 0.000 3.268 2.605) 4.179 29.805 ( 0.000 1.725 2.316) 2.887 30.122 ( 0.000 -0.358 15.792) 15.796 30.540 ( 0.000 -2.390 10.330) 10.603 30.714 ( 0.000 -3.988 -3.186) 5.104 32.997 ( 0.000 0.917 -13.992) 14.022 ======================= Grid point 118 (42/180) ======================= q-point: ( 0.12 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 14.702 29.838 17.082) 37.394 1.962 ( 17.366 27.033 20.642) 38.189 3.353 ( 29.132 48.782 24.217) 61.764 4.919 ( 5.714 2.226 -1.736) 6.373 5.282 ( -5.968 -10.063 -3.849) 12.317 5.579 ( 5.469 -6.463 -2.836) 8.929 5.757 ( -14.959 5.294 4.057) 16.379 6.503 ( 5.302 1.036 -8.808) 10.333 6.762 ( -0.962 -0.689 -12.217) 12.274 7.149 ( 9.785 -9.616 -14.547) 19.996 7.499 ( 7.542 -9.790 -11.042) 16.573 8.598 ( -4.639 -17.696 -16.089) 24.362 10.173 ( -5.205 -2.780 10.122) 11.716 10.605 ( 6.327 -2.639 -2.965) 7.469 10.777 ( 3.225 0.437 -15.824) 16.155 11.287 ( -0.902 -1.886 0.384) 2.125 11.684 ( -6.545 0.234 1.429) 6.703 11.802 ( -2.503 3.298 0.860) 4.228 12.145 ( -1.110 0.324 1.946) 2.264 12.446 ( -1.558 1.190 -0.569) 2.041 12.595 ( 0.803 1.725 1.910) 2.696 12.642 ( -6.311 -1.587 1.486) 6.675 12.907 ( -2.124 9.151 3.706) 10.099 13.158 ( 4.650 -12.449 2.876) 13.597 13.458 ( 4.556 -1.970 0.319) 4.974 13.565 ( 10.920 -9.039 11.384) 18.181 13.823 ( -0.611 0.324 3.354) 3.425 14.094 ( 7.315 -1.025 0.354) 7.395 14.481 ( -4.996 5.432 -1.150) 7.470 14.804 ( -6.367 0.120 3.772) 7.401 14.962 ( -2.942 -3.271 5.830) 7.304 15.564 ( -9.107 -3.516 2.158) 9.998 15.854 ( -0.386 -2.344 0.009) 2.376 16.369 ( 6.794 -0.762 -9.447) 11.661 17.220 ( 1.355 5.579 2.961) 6.460 17.319 ( -11.718 7.145 5.778) 14.891 17.751 ( -3.022 -3.239 4.404) 6.247 18.074 ( 0.790 -1.642 1.787) 2.552 18.491 ( -0.296 1.648 -0.669) 1.804 18.927 ( 4.004 7.899 -7.602) 11.671 27.195 ( 1.144 2.312 1.226) 2.857 27.373 ( -0.565 0.972 0.977) 1.490 29.614 ( 4.080 -0.237 1.551) 4.371 29.808 ( 0.286 1.401 1.704) 2.224 30.060 ( -4.813 -2.150 11.548) 12.694 30.518 ( -1.457 -1.017 9.988) 10.145 30.895 ( 15.257 -3.583 -1.669) 15.761 32.881 ( -10.081 2.872 -11.559) 15.604 ======================= Grid point 119 (43/180) ======================= q-point: ( 0.25 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 25.671 24.336 7.156) 36.089 2.430 ( 28.159 19.908 16.424) 38.197 4.090 ( 36.147 29.816 19.124) 50.610 4.729 ( -16.534 -0.224 -4.354) 17.100 5.176 ( -21.488 -4.948 9.034) 23.829 5.497 ( 5.033 7.773 -5.309) 10.674 5.827 ( 15.019 -7.313 -2.062) 16.831 6.554 ( -4.102 -6.856 -14.572) 16.618 6.894 ( 15.393 12.368 -7.723) 21.203 7.301 ( 5.532 -15.830 -16.253) 23.352 7.697 ( 9.448 -2.896 -8.276) 12.890 8.455 ( -8.830 -12.188 -16.464) 22.306 10.122 ( 0.494 -4.017 14.558) 15.110 10.640 ( -1.291 -9.101 -1.694) 9.347 10.917 ( 6.672 -0.293 -6.561) 9.362 11.183 ( -5.763 1.960 1.144) 6.194 11.564 ( -4.701 4.057 0.280) 6.216 11.782 ( 1.164 2.629 -2.789) 4.005 12.169 ( 0.541 -2.792 -6.735) 7.311 12.352 ( -9.031 -1.896 1.894) 9.420 12.496 ( -3.898 4.192 -3.376) 6.646 12.647 ( 2.439 5.890 -0.599) 6.403 12.877 ( 0.762 3.048 -0.218) 3.150 13.245 ( 3.979 -11.444 0.571) 12.129 13.564 ( 5.549 0.645 1.782) 5.863 13.772 ( 5.445 -9.029 5.363) 11.830 13.889 ( 7.761 -2.720 12.970) 15.357 14.127 ( -4.680 -1.848 1.066) 5.143 14.386 ( -4.221 2.680 2.639) 5.653 14.706 ( -1.593 -5.010 2.603) 5.866 14.868 ( -5.451 -1.949 8.008) 9.881 15.343 ( -11.814 -6.505 3.681) 13.980 15.848 ( 0.693 5.058 -6.246) 8.067 16.488 ( 2.526 9.720 -4.026) 10.819 17.120 ( -3.726 2.314 2.902) 5.259 17.290 ( 3.972 3.416 4.275) 6.761 17.662 ( -5.180 -1.316 3.807) 6.562 18.034 ( -5.261 1.124 1.599) 5.613 18.529 ( 4.273 -0.628 -1.015) 4.437 18.977 ( 0.489 4.239 -4.760) 6.393 27.227 ( 1.920 2.174 1.168) 3.127 27.358 ( -0.817 1.275 1.176) 1.918 29.663 ( 0.515 -2.224 2.112) 3.110 29.800 ( -2.096 -2.054 0.582) 2.992 29.994 ( 0.154 -0.480 8.316) 8.331 30.467 ( -3.829 -0.888 8.579) 9.436 31.265 ( 19.474 -2.266 -2.385) 19.750 32.634 ( -13.245 3.850 -8.181) 16.037 ======================= Grid point 120 (44/180) ======================= q-point: ( 0.38 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 29.979 13.589 2.472) 33.008 3.089 ( 34.701 12.973 11.713) 38.854 4.065 ( -27.110 -2.489 -1.673) 27.275 4.549 ( -31.458 3.387 10.954) 33.482 5.100 ( 35.380 23.911 12.521) 44.500 5.649 ( 7.342 4.752 -6.247) 10.748 6.081 ( 5.973 -6.591 -5.172) 10.289 6.404 ( -10.757 -0.683 -9.433) 14.324 7.195 ( 12.717 -11.819 -8.927) 19.521 7.473 ( 10.238 -2.785 -14.862) 18.261 7.812 ( 2.808 -1.611 -10.897) 11.368 8.253 ( -10.747 0.353 -15.777) 19.093 10.191 ( 5.953 -5.936 18.393) 20.224 10.549 ( -7.477 -11.125 12.000) 17.991 10.989 ( 2.231 -4.702 -3.630) 6.345 11.199 ( 6.167 1.958 -4.209) 7.719 11.468 ( -4.579 7.044 -0.689) 8.430 11.768 ( -5.952 4.038 -7.880) 10.670 12.122 ( -1.248 1.742 -3.871) 4.424 12.228 ( -2.002 -3.002 -12.481) 12.992 12.468 ( 0.308 3.815 -4.032) 5.560 12.620 ( -4.709 8.721 2.442) 10.208 12.988 ( 8.868 -4.525 -4.388) 10.880 13.305 ( 0.943 -11.848 -2.403) 12.125 13.669 ( 4.191 0.411 4.157) 5.917 13.819 ( -0.905 -2.919 5.227) 6.055 13.920 ( -3.587 -1.542 11.889) 12.514 14.151 ( 7.421 -7.786 6.179) 12.405 14.265 ( -5.411 1.825 5.602) 7.999 14.642 ( -8.400 -4.329 1.572) 9.580 14.834 ( 4.127 -6.510 5.487) 9.461 15.126 ( -8.473 -7.319 6.488) 12.940 15.883 ( 2.233 9.153 -9.579) 13.436 16.453 ( -4.186 14.258 6.962) 16.410 17.170 ( 6.656 -2.053 -4.308) 8.190 17.388 ( 4.598 2.299 2.751) 5.831 17.557 ( -3.898 0.950 3.447) 5.289 17.873 ( -9.567 4.012 2.339) 10.635 18.642 ( 5.839 -2.233 -2.559) 6.755 18.951 ( -2.621 2.033 -1.256) 3.547 27.268 ( 1.967 2.055 1.093) 3.047 27.339 ( -1.082 1.696 1.377) 2.438 29.657 ( -0.474 -2.257 2.395) 3.325 29.731 ( -3.435 -3.673 1.790) 5.338 30.065 ( 5.511 0.577 6.110) 8.248 30.362 ( -6.132 -0.554 7.620) 9.797 31.661 ( 18.669 -0.829 -3.839) 19.078 32.348 ( -14.600 2.496 -6.100) 16.019 ======================= Grid point 121 (45/180) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( 0.000 3.363 -4.505) 5.621 3.490 ( -0.000 4.299 2.402) 4.924 3.833 ( -0.000 6.644 11.379) 13.177 3.869 ( 0.000 8.248 11.399) 14.071 5.595 ( -0.000 13.550 -1.905) 13.683 5.764 ( 0.000 18.100 8.473) 19.985 6.122 ( -0.000 -6.576 -8.585) 10.814 6.162 ( 0.000 -3.251 -5.322) 6.236 7.449 ( 0.000 -16.671 -11.991) 20.536 7.468 ( -0.000 -19.753 -11.638) 22.927 7.957 ( -0.000 11.528 -16.346) 20.002 8.035 ( 0.000 10.327 -12.885) 16.512 10.315 ( 0.000 -8.290 16.215) 18.211 10.407 ( -0.000 -9.254 22.714) 24.526 11.024 ( 0.000 -6.630 -8.819) 11.033 11.296 ( -0.000 -3.256 3.900) 5.081 11.438 ( 0.000 6.046 -6.375) 8.785 11.617 ( 0.000 11.188 -5.841) 12.621 12.154 ( 0.000 2.524 -4.662) 5.301 12.203 ( -0.000 -3.148 -21.957) 22.182 12.502 ( -0.000 2.997 -11.447) 11.833 12.523 ( 0.000 9.748 9.524) 13.628 13.132 ( -0.000 -8.627 0.219) 8.630 13.277 ( 0.000 -9.506 -6.701) 11.631 13.729 ( -0.000 -1.630 2.908) 3.334 13.757 ( 0.000 0.058 6.122) 6.122 13.919 ( 0.000 -2.085 14.330) 14.481 14.147 ( -0.000 -3.021 12.667) 13.022 14.333 ( -0.000 -0.991 -3.168) 3.319 14.482 ( 0.000 -7.455 4.166) 8.541 14.918 ( 0.000 -9.292 2.665) 9.666 15.014 ( -0.000 -5.677 10.052) 11.544 15.913 ( 0.000 11.011 -11.681) 16.052 16.397 ( -0.000 13.078 11.588) 17.473 17.283 ( -0.000 -3.265 -6.614) 7.376 17.392 ( 0.000 2.947 1.178) 3.173 17.580 ( 0.000 0.605 0.189) 0.634 17.716 ( -0.000 6.670 6.918) 9.610 18.719 ( 0.000 -2.148 -5.052) 5.490 18.908 ( 0.000 0.899 1.861) 2.067 27.298 ( -0.000 1.846 0.711) 1.978 27.320 ( 0.000 2.059 1.814) 2.744 29.655 ( 0.000 -2.562 1.877) 3.176 29.690 ( 0.000 -3.298 2.695) 4.259 30.163 ( 0.000 0.481 4.572) 4.597 30.258 ( 0.000 -0.354 8.380) 8.388 31.996 ( 0.000 0.860 -6.312) 6.370 32.057 ( -0.000 0.609 -3.511) 3.563 ======================= Grid point 126 (46/180) ======================= q-point: ( 0.00 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 0.000 34.265 10.943) 35.970 2.314 ( 0.000 26.563 15.653) 30.832 4.053 ( 0.000 44.818 17.283) 48.035 4.775 ( 0.000 -5.707 4.555) 7.301 5.037 ( 0.000 -23.293 -8.101) 24.661 5.441 ( 0.000 1.518 0.205) 1.531 6.053 ( 0.000 -4.389 10.273) 11.171 6.417 ( 0.000 2.116 -13.891) 14.051 6.657 ( 0.000 -0.803 -11.623) 11.651 7.104 ( 0.000 -16.655 -8.717) 18.798 7.202 ( 0.000 16.041 -7.929) 17.893 8.219 ( 0.000 -23.713 -13.180) 27.129 10.230 ( 0.000 -0.630 7.651) 7.677 10.548 ( 0.000 5.298 -8.798) 10.270 10.732 ( 0.000 -3.697 -15.951) 16.374 11.224 ( 0.000 -2.096 -14.659) 14.808 11.773 ( 0.000 2.006 -2.270) 3.029 11.888 ( 0.000 3.606 3.266) 4.865 12.236 ( 0.000 -1.542 -0.194) 1.554 12.323 ( 0.000 -14.257 9.535) 17.151 12.584 ( 0.000 -3.730 -6.852) 7.801 12.644 ( 0.000 5.270 15.294) 16.176 12.907 ( 0.000 -4.062 -7.121) 8.198 13.101 ( 0.000 -0.280 13.001) 13.004 13.344 ( 0.000 7.527 3.705) 8.390 13.443 ( 0.000 -4.499 -1.842) 4.862 13.869 ( 0.000 -0.018 3.936) 3.936 13.957 ( 0.000 -0.297 1.587) 1.615 14.661 ( 0.000 5.919 -1.101) 6.021 14.874 ( 0.000 -4.937 7.815) 9.244 14.898 ( 0.000 -4.565 1.299) 4.746 15.691 ( 0.000 -0.024 -1.978) 1.978 15.703 ( 0.000 -1.872 10.574) 10.739 16.206 ( 0.000 -4.366 -13.673) 14.353 17.279 ( 0.000 3.069 9.245) 9.741 17.607 ( 0.000 5.838 3.391) 6.752 17.727 ( 0.000 -1.260 6.305) 6.430 18.020 ( 0.000 -2.314 1.884) 2.984 18.513 ( 0.000 0.498 -0.940) 1.063 19.071 ( 0.000 8.808 -8.899) 12.521 27.224 ( 0.000 1.747 1.175) 2.105 27.402 ( 0.000 1.464 0.733) 1.638 29.623 ( 0.000 3.775 2.318) 4.430 29.853 ( 0.000 2.977 2.099) 3.643 30.135 ( 0.000 0.764 10.822) 10.849 30.502 ( 0.000 -1.294 12.660) 12.726 30.630 ( 0.000 -4.485 -2.697) 5.233 32.993 ( 0.000 -0.903 -12.085) 12.119 ======================= Grid point 127 (47/180) ======================= q-point: ( 0.12 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 12.027 32.196 9.345) 35.617 2.475 ( 13.630 25.486 15.123) 32.620 4.202 ( 14.380 34.963 15.315) 40.789 4.905 ( -1.065 -5.312 -2.356) 5.908 5.031 ( 10.128 -12.159 -0.463) 15.832 5.389 ( -3.904 -7.857 5.030) 10.113 5.940 ( -9.920 9.685 1.362) 13.931 6.381 ( 2.338 -9.449 -11.869) 15.350 6.884 ( 9.411 -4.868 -13.332) 17.029 6.977 ( 0.096 2.578 -5.601) 6.167 7.414 ( 13.263 3.874 -8.557) 16.252 8.208 ( -0.892 -21.514 -13.238) 25.277 10.144 ( -5.523 0.238 8.209) 9.897 10.545 ( -2.820 -3.528 -7.503) 8.757 10.793 ( 6.254 0.506 -10.611) 12.327 11.252 ( 0.898 -1.275 -12.070) 12.170 11.703 ( -5.094 0.908 -1.818) 5.484 11.844 ( -4.872 0.831 0.935) 5.030 12.128 ( -1.109 -1.635 1.537) 2.503 12.399 ( -1.256 -6.284 -2.378) 6.835 12.573 ( -0.799 -2.344 -1.303) 2.799 12.655 ( 1.603 3.001 7.255) 8.014 12.947 ( 4.178 -4.018 -2.375) 6.264 13.188 ( 2.483 9.534 5.593) 11.329 13.334 ( 3.409 -3.038 6.444) 7.897 13.502 ( 4.985 -3.531 1.758) 6.357 13.793 ( -2.245 -2.383 4.220) 5.341 14.087 ( 7.127 0.040 3.973) 8.160 14.577 ( -8.086 3.925 -2.126) 9.237 14.769 ( -8.175 -3.115 3.347) 9.367 14.870 ( -2.638 -6.096 8.987) 11.175 15.487 ( -11.267 -2.846 5.186) 12.725 15.859 ( 5.673 1.994 0.437) 6.029 16.317 ( 10.448 -3.725 -13.676) 17.609 17.287 ( 0.159 2.218 11.061) 11.282 17.477 ( -10.041 8.131 1.647) 13.025 17.716 ( -1.761 -0.744 6.032) 6.328 18.027 ( 0.541 -2.887 2.302) 3.732 18.528 ( 1.095 1.939 -1.290) 2.574 19.070 ( -0.258 6.563 -7.563) 10.017 27.234 ( 0.978 1.624 1.185) 2.236 27.398 ( -0.353 1.613 0.867) 1.865 29.632 ( 0.607 1.844 2.711) 3.334 29.841 ( -1.625 1.759 1.400) 2.774 30.045 ( -5.343 0.448 10.212) 11.534 30.475 ( -1.902 -3.985 11.053) 11.902 30.851 ( 17.367 -0.712 -1.584) 17.454 32.905 ( -8.115 0.108 -11.308) 13.919 ======================= Grid point 128 (48/180) ======================= q-point: ( 0.25 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 18.213 26.643 8.904) 33.479 2.840 ( 22.314 22.462 11.786) 33.784 4.418 ( -6.601 1.454 0.742) 6.800 4.912 ( 15.527 16.714 10.571) 25.144 5.058 ( -11.513 -3.908 9.501) 15.431 5.548 ( 15.126 -4.345 -2.703) 15.968 5.801 ( 1.721 5.953 -6.147) 8.729 6.446 ( 1.794 -3.611 -10.276) 11.039 6.823 ( -3.662 -17.799 -8.854) 20.214 7.268 ( 14.169 7.311 -10.838) 19.279 7.665 ( 10.568 2.182 -8.392) 13.670 8.214 ( 2.518 -11.156 -13.716) 17.858 10.070 ( -1.242 -0.954 13.036) 13.130 10.460 ( -4.821 -8.700 -3.503) 10.545 10.889 ( 1.400 -3.183 3.026) 4.609 11.223 ( -2.829 1.806 -9.733) 10.296 11.624 ( -1.593 0.206 -3.265) 3.639 11.790 ( 0.328 -0.132 -5.871) 5.882 12.133 ( -0.750 -0.242 -4.448) 4.518 12.306 ( -6.002 -3.652 -6.014) 9.248 12.538 ( -1.332 1.248 -4.822) 5.156 12.746 ( 6.920 3.539 1.356) 7.890 13.027 ( 0.777 1.672 -0.033) 1.844 13.111 ( -4.531 8.465 -2.984) 10.054 13.506 ( 8.629 -6.303 5.745) 12.132 13.632 ( 7.027 -5.196 6.627) 10.968 13.817 ( 4.473 -5.740 9.473) 11.946 14.140 ( -4.768 3.173 7.990) 9.831 14.404 ( -5.847 -2.416 -1.406) 6.481 14.603 ( -6.506 -4.324 4.320) 8.927 14.800 ( -4.357 -4.847 7.658) 10.056 15.229 ( -12.972 -4.674 7.276) 15.590 15.957 ( 4.673 5.925 -4.285) 8.678 16.561 ( 10.605 -1.052 -11.932) 15.998 17.186 ( -8.381 3.816 8.780) 12.724 17.384 ( 1.982 6.461 3.898) 7.802 17.658 ( -3.710 0.354 4.196) 5.612 18.016 ( -2.349 -2.622 2.463) 4.297 18.560 ( 2.476 3.251 -1.677) 4.417 19.047 ( -2.239 2.933 -4.609) 5.904 27.263 ( 1.839 1.468 1.177) 2.631 27.389 ( -0.535 1.856 1.096) 2.221 29.637 ( -0.298 -0.526 3.361) 3.415 29.768 ( -4.927 -1.319 1.832) 5.420 30.002 ( 1.128 1.398 9.372) 9.542 30.417 ( -3.842 -4.574 10.190) 11.812 31.252 ( 20.589 0.851 -3.423) 20.889 32.684 ( -12.872 1.522 -9.729) 16.207 ======================= Grid point 129 (49/180) ======================= q-point: ( 0.38 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 20.403 19.036 7.844) 28.986 3.372 ( 27.983 16.224 8.398) 33.418 4.064 ( -21.299 2.924 2.401) 21.632 4.598 ( -25.975 1.958 11.722) 28.565 5.527 ( 30.537 15.979 6.402) 35.055 5.694 ( 5.581 -2.395 -12.973) 14.324 5.980 ( 5.354 -0.145 -2.572) 5.941 6.453 ( -3.587 4.621 -6.657) 8.862 6.805 ( 5.436 -22.479 -7.220) 24.227 7.340 ( -7.492 -13.284 -9.680) 18.064 7.935 ( 15.941 12.979 -12.406) 24.010 8.286 ( 2.055 2.902 -14.547) 14.975 10.094 ( 3.324 -3.486 17.744) 18.386 10.347 ( -6.076 -9.104 7.652) 13.355 10.882 ( -0.504 -6.343 2.603) 6.875 11.164 ( -2.570 -5.051 -0.127) 5.668 11.637 ( 1.813 8.637 -6.892) 11.198 11.814 ( 0.492 0.436 -10.200) 10.222 12.080 ( -2.566 -2.232 -8.297) 8.967 12.202 ( -3.831 -3.006 -8.258) 9.587 12.555 ( 3.014 5.557 -10.194) 11.995 12.856 ( -4.506 14.160 -0.321) 14.863 12.947 ( 3.550 0.227 -5.892) 6.882 13.121 ( 1.016 -5.036 -5.559) 7.570 13.645 ( 5.322 -2.801 5.906) 8.429 13.748 ( 3.659 -4.689 7.848) 9.847 13.915 ( -1.675 -2.516 14.913) 15.216 13.996 ( -0.235 -4.643 10.100) 11.119 14.294 ( -4.780 0.127 2.504) 5.398 14.502 ( -6.919 -8.234 -1.579) 10.871 14.725 ( -0.555 -5.329 7.327) 9.077 15.009 ( -7.642 -5.268 11.626) 14.877 16.059 ( 4.915 8.915 -8.355) 13.170 16.633 ( -3.520 4.027 1.903) 5.677 17.154 ( 5.610 1.121 -4.814) 7.477 17.459 ( 4.176 4.927 5.762) 8.655 17.574 ( -3.721 0.399 1.581) 4.062 17.919 ( -6.618 0.550 4.167) 7.840 18.637 ( 4.729 1.805 -2.947) 5.857 18.978 ( -4.237 0.642 -1.038) 4.409 27.305 ( 2.036 1.595 1.088) 2.806 27.375 ( -0.912 1.931 1.311) 2.506 29.624 ( -0.666 -1.230 3.596) 3.858 29.676 ( -3.458 -1.980 2.989) 4.981 30.066 ( 4.619 -0.104 8.535) 9.705 30.318 ( -5.620 -3.956 9.664) 11.858 31.669 ( 19.620 1.454 -5.370) 20.393 32.392 ( -15.396 1.930 -8.167) 17.534 ======================= Grid point 130 (50/180) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 0.000 10.906 0.747) 10.932 3.612 ( -0.000 9.077 7.722) 11.917 3.999 ( -0.000 10.145 10.114) 14.326 4.055 ( 0.000 10.957 11.557) 15.926 5.736 ( -0.000 -1.959 -15.683) 15.805 5.964 ( -0.000 -9.092 -6.586) 11.227 6.117 ( -0.000 15.212 1.537) 15.290 6.210 ( 0.000 9.116 4.003) 9.956 7.058 ( 0.000 -20.588 -9.013) 22.475 7.091 ( -0.000 -18.914 -8.360) 20.680 8.192 ( -0.000 12.291 -15.989) 20.168 8.240 ( 0.000 10.436 -13.585) 17.131 10.163 ( 0.000 -6.818 14.779) 16.276 10.250 ( -0.000 -6.375 19.612) 20.622 10.881 ( 0.000 -7.800 -4.223) 8.870 11.135 ( -0.000 -10.214 7.012) 12.389 11.664 ( 0.000 13.530 -7.312) 15.379 11.798 ( -0.000 6.567 -8.718) 10.914 12.075 ( 0.000 -8.534 -16.120) 18.239 12.151 ( -0.000 -3.467 -4.898) 6.001 12.626 ( -0.000 10.288 -15.244) 18.390 12.731 ( 0.000 9.654 -3.146) 10.153 13.048 ( -0.000 0.300 -1.984) 2.007 13.111 ( 0.000 -5.416 -9.862) 11.251 13.736 ( -0.000 -2.398 8.470) 8.803 13.742 ( 0.000 0.748 9.132) 9.162 13.862 ( 0.000 -2.693 12.580) 12.865 14.035 ( 0.000 -8.814 16.465) 18.676 14.315 ( 0.000 -1.438 -1.883) 2.369 14.325 ( -0.000 -6.702 -1.120) 6.795 14.747 ( -0.000 -7.857 6.190) 10.002 14.924 ( 0.000 -4.860 14.051) 14.867 16.122 ( 0.000 10.561 -11.955) 15.952 16.567 ( -0.000 4.370 10.111) 11.016 17.253 ( -0.000 0.468 -9.392) 9.404 17.475 ( 0.000 4.793 1.806) 5.122 17.572 ( 0.000 -0.799 -0.282) 0.848 17.816 ( -0.000 3.275 9.145) 9.713 18.706 ( 0.000 1.014 -5.597) 5.688 18.915 ( 0.000 -0.259 2.361) 2.375 27.335 ( 0.000 1.952 0.674) 2.065 27.357 ( 0.000 1.697 1.763) 2.447 29.618 ( 0.000 -1.241 3.341) 3.564 29.637 ( 0.000 -2.039 3.644) 4.176 30.154 ( 0.000 -1.307 7.532) 7.645 30.219 ( 0.000 -3.243 10.317) 10.815 32.030 ( 0.000 2.404 -7.919) 8.276 32.074 ( -0.000 1.153 -5.730) 5.845 ======================= Grid point 135 (51/180) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 0.000 15.850 12.866) 20.415 2.882 ( 0.000 31.056 6.623) 31.754 4.392 ( 0.000 -18.439 -12.150) 22.082 4.617 ( 0.000 -8.475 6.284) 10.550 4.902 ( 0.000 18.634 14.204) 23.430 5.522 ( 0.000 5.877 0.740) 5.923 5.888 ( 0.000 -9.609 12.552) 15.808 6.493 ( 0.000 4.498 -8.719) 9.810 6.627 ( 0.000 -7.671 -11.909) 14.166 6.911 ( 0.000 1.904 -7.098) 7.349 7.524 ( 0.000 14.280 -6.233) 15.581 7.782 ( 0.000 -20.543 -12.343) 23.966 10.269 ( 0.000 4.845 5.489) 7.321 10.616 ( 0.000 -8.312 -11.601) 14.272 10.646 ( 0.000 4.249 -6.680) 7.917 11.189 ( 0.000 -1.406 -26.035) 26.073 11.833 ( 0.000 4.079 -1.466) 4.334 11.944 ( 0.000 2.141 2.153) 3.036 12.076 ( 0.000 -10.246 6.161) 11.956 12.191 ( 0.000 -2.412 -1.597) 2.893 12.545 ( 0.000 0.573 -12.292) 12.305 12.743 ( 0.000 4.543 23.708) 24.140 12.844 ( 0.000 -4.738 -16.662) 17.323 13.001 ( 0.000 -6.087 16.396) 17.490 13.289 ( 0.000 -8.907 0.411) 8.917 13.576 ( 0.000 12.296 0.844) 12.325 13.896 ( 0.000 2.205 8.471) 8.753 13.936 ( 0.000 -2.250 1.041) 2.480 14.747 ( 0.000 1.672 1.534) 2.269 14.771 ( 0.000 -3.080 6.887) 7.544 14.816 ( 0.000 -3.522 1.604) 3.870 15.689 ( 0.000 -0.148 -1.871) 1.877 15.725 ( 0.000 2.480 10.276) 10.571 16.132 ( 0.000 -3.021 -15.912) 16.196 17.323 ( 0.000 1.589 14.115) 14.204 17.698 ( 0.000 3.360 3.009) 4.511 17.716 ( 0.000 -0.133 7.879) 7.880 17.980 ( 0.000 -1.642 0.884) 1.865 18.521 ( 0.000 0.300 -1.064) 1.105 19.198 ( 0.000 4.464 -8.630) 9.716 27.248 ( 0.000 0.770 1.139) 1.375 27.430 ( 0.000 1.190 0.628) 1.346 29.688 ( 0.000 2.724 2.042) 3.405 29.910 ( 0.000 2.710 1.548) 3.121 30.133 ( 0.000 -0.930 7.782) 7.837 30.494 ( 0.000 0.242 14.924) 14.926 30.554 ( 0.000 -3.158 -2.258) 3.882 32.974 ( 0.000 -0.846 -11.090) 11.122 ======================= Grid point 136 (52/180) ======================= q-point: ( 0.12 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 11.397 16.352 12.675) 23.620 2.987 ( 10.084 28.905 6.696) 31.337 4.343 ( -2.104 -17.264 -9.302) 19.723 4.788 ( 11.921 -7.038 6.059) 15.111 5.065 ( 15.829 15.004 9.691) 23.866 5.348 ( -11.945 2.886 9.491) 15.527 6.041 ( 6.348 -1.912 0.778) 6.676 6.287 ( -7.052 2.785 -8.141) 11.124 6.622 ( -4.948 -14.441 -8.325) 17.388 7.128 ( 15.678 9.025 -7.769) 19.688 7.565 ( 3.341 2.402 -9.450) 10.307 7.858 ( 8.381 -9.921 -10.574) 16.747 10.194 ( -5.630 4.995 6.088) 9.680 10.466 ( -7.798 -5.092 -8.912) 12.890 10.771 ( 4.515 -2.532 -2.162) 5.610 11.248 ( 4.169 0.687 -23.734) 24.108 11.693 ( -10.605 -1.794 -0.736) 10.781 11.853 ( -4.473 0.780 -0.478) 4.566 12.112 ( 3.181 -0.067 -0.990) 3.332 12.262 ( 1.081 -6.347 -2.715) 6.987 12.544 ( -0.012 0.017 -6.987) 6.987 12.733 ( 1.300 4.213 4.415) 6.239 12.908 ( 4.992 -1.411 0.187) 5.191 13.132 ( 10.707 -6.058 13.150) 18.007 13.334 ( 4.459 -8.202 1.039) 9.393 13.571 ( -1.249 13.528 2.242) 13.770 13.768 ( -5.554 -0.303 4.028) 6.867 14.072 ( 6.982 -2.278 6.042) 9.510 14.611 ( -13.018 -0.317 -0.467) 13.031 14.724 ( -5.988 -0.835 0.728) 6.090 14.764 ( -1.988 -4.147 9.928) 10.941 15.461 ( -13.381 -0.396 5.827) 14.600 15.905 ( 8.348 2.352 2.578) 9.048 16.248 ( 10.562 -3.033 -16.596) 19.904 17.319 ( -0.944 1.196 15.271) 15.347 17.609 ( -6.674 5.447 1.801) 8.801 17.710 ( -1.305 -0.206 6.720) 6.848 17.972 ( -0.661 -2.601 1.319) 2.991 18.560 ( 3.179 1.294 -1.069) 3.595 19.168 ( -2.870 3.465 -7.562) 8.799 27.255 ( 0.815 0.694 1.202) 1.610 27.428 ( -0.150 1.292 0.713) 1.483 29.671 ( -1.521 1.811 2.587) 3.505 29.866 ( -4.556 0.660 1.339) 4.794 30.079 ( -2.892 3.048 9.061) 9.988 30.371 ( -4.046 -6.155 10.853) 13.116 30.860 ( 19.373 1.099 -0.065) 19.405 32.900 ( -7.021 -0.425 -10.787) 12.878 ======================= Grid point 137 (53/180) ======================= q-point: ( 0.25 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 14.822 17.844 12.214) 26.216 3.281 ( 17.973 23.395 6.624) 30.237 4.289 ( -4.575 -13.439 -7.199) 15.917 4.943 ( -8.254 -0.834 16.929) 18.852 5.196 ( 12.402 4.415 5.431) 14.241 5.511 ( 19.704 1.520 0.949) 19.785 5.924 ( -6.674 5.130 -12.495) 15.066 6.394 ( 2.672 -4.458 -4.032) 6.578 6.519 ( 1.424 -8.944 -2.831) 9.488 7.276 ( -3.919 -3.932 -9.427) 10.941 7.773 ( 18.325 3.970 -10.337) 21.411 8.111 ( 14.395 1.656 -11.778) 18.673 10.097 ( -3.045 3.816 10.079) 11.199 10.321 ( -6.141 -5.993 -5.260) 10.064 10.796 ( -1.410 -5.664 9.141) 10.846 11.239 ( -7.833 -0.453 -10.194) 12.864 11.569 ( 2.142 -3.301 -9.074) 9.890 11.825 ( 0.990 2.604 -8.710) 9.144 12.144 ( -0.570 0.711 -4.921) 5.005 12.215 ( -4.540 -4.862 -6.699) 9.441 12.556 ( 2.006 0.872 -8.374) 8.655 12.818 ( 6.386 4.283 -3.104) 8.292 13.009 ( 4.336 -0.251 2.560) 5.042 13.333 ( 2.811 1.843 3.138) 4.599 13.450 ( 5.452 1.550 4.671) 7.345 13.521 ( 1.707 -0.459 9.535) 9.697 13.730 ( 1.492 -1.561 4.560) 5.045 14.189 ( 3.197 -2.897 7.772) 8.889 14.295 ( -14.979 -3.778 1.287) 15.502 14.565 ( -8.839 -0.634 0.552) 8.879 14.714 ( -3.211 -3.518 8.041) 9.345 15.165 ( -14.456 -2.141 10.324) 17.893 16.064 ( 7.426 4.816 -0.428) 8.861 16.501 ( 11.850 -3.974 -16.995) 21.096 17.247 ( -5.743 2.341 13.387) 14.754 17.516 ( -0.755 6.532 3.749) 7.569 17.662 ( -3.378 -0.141 3.445) 4.827 17.952 ( -1.496 -3.540 2.127) 4.392 18.628 ( 3.220 3.186 -1.031) 4.645 19.087 ( -4.859 1.206 -5.071) 7.126 27.283 ( 1.833 0.616 1.293) 2.326 27.423 ( -0.440 1.410 0.893) 1.726 29.635 ( -1.731 0.148 3.561) 3.963 29.750 ( -5.633 -0.503 3.142) 6.470 30.053 ( 0.045 4.046 9.512) 10.337 30.300 ( -3.430 -7.154 10.609) 13.247 31.283 ( 21.035 1.784 -3.561) 21.409 32.700 ( -11.995 0.384 -10.027) 15.639 ======================= Grid point 138 (54/180) ======================= q-point: ( 0.38 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 15.149 16.917 9.765) 24.719 3.689 ( 19.999 16.420 5.871) 26.534 4.131 ( -9.517 0.719 2.239) 9.803 4.640 ( -17.980 3.570 16.238) 24.489 5.527 ( 11.141 -7.961 -2.573) 13.933 5.683 ( 3.316 -0.909 -11.459) 11.964 6.066 ( 13.654 1.363 -7.920) 15.843 6.339 ( -0.088 -11.671 -1.478) 11.765 6.653 ( 5.838 5.372 -1.139) 8.015 7.085 ( -12.474 -10.861 -7.038) 17.975 8.167 ( 17.252 8.711 -13.568) 23.614 8.366 ( 8.592 5.297 -14.088) 17.330 10.072 ( 0.206 1.238 13.605) 13.662 10.214 ( -4.171 -4.979 3.788) 7.519 10.762 ( -1.119 -5.478 9.807) 11.289 11.034 ( -9.067 -7.374 1.635) 11.801 11.702 ( 8.515 -1.292 -12.075) 14.832 11.855 ( 1.296 3.873 -11.154) 11.878 12.080 ( -6.361 0.455 -8.629) 10.730 12.117 ( -3.257 -3.393 -7.243) 8.636 12.650 ( 7.192 3.791 -12.458) 14.877 12.954 ( 4.855 2.082 -8.392) 9.916 13.078 ( 1.931 3.320 -1.456) 4.108 13.172 ( -10.750 10.393 -5.471) 15.922 13.584 ( 6.157 -3.338 8.140) 10.739 13.659 ( 6.405 -3.526 10.013) 12.398 13.789 ( 3.721 -4.234 10.340) 11.777 14.003 ( -10.208 -1.133 5.059) 11.449 14.237 ( -0.809 -4.663 6.690) 8.195 14.379 ( -8.859 -4.121 -1.243) 9.849 14.655 ( -1.341 -1.562 9.092) 9.323 14.917 ( -8.927 -4.182 14.678) 17.681 16.215 ( 7.093 6.989 -3.685) 10.618 16.627 ( -0.968 -3.170 -7.083) 7.820 17.207 ( 3.939 3.379 0.123) 5.191 17.546 ( -0.073 1.771 3.388) 3.824 17.585 ( -1.159 2.734 3.273) 4.419 17.897 ( -3.987 -2.422 4.912) 6.774 18.697 ( 3.714 3.627 -1.758) 5.481 18.976 ( -5.665 -0.731 -2.026) 6.061 27.327 ( 2.363 0.784 1.263) 2.792 27.407 ( -1.106 1.310 1.096) 2.035 29.607 ( -0.861 -0.631 4.303) 4.433 29.656 ( -3.458 -0.342 4.553) 5.727 30.075 ( 2.067 1.379 9.580) 9.897 30.223 ( -4.018 -5.486 10.272) 12.319 31.704 ( 19.683 1.770 -6.061) 20.671 32.420 ( -15.066 1.023 -9.002) 17.580 ======================= Grid point 139 (55/180) ======================= q-point: (-0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.707 ( 0.000 13.163 2.281) 13.359 3.814 ( 0.000 9.769 6.655) 11.820 4.200 ( -0.000 10.482 12.784) 16.531 4.264 ( 0.000 9.648 14.181) 17.152 5.608 ( 0.000 -8.056 -15.714) 17.659 5.743 ( -0.000 -13.279 -6.415) 14.747 6.265 ( -0.000 -0.534 -7.568) 7.587 6.334 ( 0.000 -0.694 0.967) 1.190 6.812 ( -0.000 -3.200 -1.826) 3.685 6.828 ( -0.000 -5.554 -4.485) 7.139 8.401 ( -0.000 8.649 -15.800) 18.012 8.416 ( 0.000 7.272 -14.660) 16.364 10.081 ( 0.000 -1.361 10.888) 10.973 10.165 ( -0.000 -3.069 13.971) 14.305 10.754 ( 0.000 -4.236 2.416) 4.877 10.932 ( 0.000 -10.624 9.578) 14.304 11.851 ( -0.000 -0.614 -10.978) 10.995 11.865 ( 0.000 2.425 -9.351) 9.661 11.955 ( 0.000 1.083 -11.729) 11.779 12.083 ( -0.000 -2.227 -6.809) 7.164 12.830 ( -0.000 8.857 -12.364) 15.209 12.858 ( 0.000 4.396 -10.064) 10.983 13.093 ( 0.000 2.058 -9.491) 9.712 13.108 ( 0.000 3.978 -6.827) 7.901 13.671 ( 0.000 -3.490 8.970) 9.625 13.710 ( 0.000 -3.243 11.914) 12.348 13.857 ( -0.000 1.129 7.256) 7.344 13.879 ( 0.000 -5.269 11.964) 13.073 14.229 ( 0.000 -3.868 1.846) 4.286 14.250 ( -0.000 -5.190 1.938) 5.540 14.657 ( -0.000 -0.751 10.679) 10.706 14.817 ( 0.000 -6.127 15.332) 16.511 16.311 ( 0.000 9.155 -8.439) 12.451 16.572 ( -0.000 -3.201 4.083) 5.188 17.301 ( -0.000 4.105 -8.200) 9.170 17.481 ( 0.000 -3.649 -3.792) 5.263 17.633 ( -0.000 6.425 6.002) 8.792 17.829 ( 0.000 -1.901 9.815) 9.998 18.757 ( 0.000 3.888 -4.170) 5.701 18.894 ( 0.000 -2.060 1.207) 2.387 27.368 ( 0.000 1.373 0.871) 1.626 27.381 ( -0.000 0.771 1.537) 1.719 29.605 ( 0.000 -0.239 4.761) 4.767 29.612 ( 0.000 -0.718 4.801) 4.855 30.124 ( 0.000 -1.462 9.239) 9.354 30.153 ( 0.000 -3.161 10.542) 11.005 32.076 ( 0.000 2.046 -8.265) 8.514 32.096 ( -0.000 0.898 -7.229) 7.285 ======================= Grid point 144 (56/180) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 0.000 -0.000 12.069) 12.069 3.269 ( 0.000 -0.000 9.120) 9.120 4.088 ( 0.000 0.000 -17.899) 17.899 4.525 ( 0.000 0.000 6.590) 6.590 5.132 ( 0.000 -0.000 12.876) 12.876 5.597 ( 0.000 0.000 1.434) 1.434 5.774 ( 0.000 0.000 13.017) 13.017 6.504 ( 0.000 0.000 -9.255) 9.255 6.547 ( 0.000 0.000 -4.813) 4.813 7.006 ( 0.000 -0.000 -9.655) 9.655 7.538 ( 0.000 0.000 -12.037) 12.037 7.669 ( 0.000 0.000 -6.109) 6.109 10.376 ( 0.000 0.000 10.023) 10.023 10.471 ( 0.000 0.000 -14.608) 14.608 10.690 ( 0.000 0.000 -4.381) 4.381 11.175 ( 0.000 0.000 -31.354) 31.354 11.926 ( 0.000 0.000 -2.404) 2.404 11.929 ( 0.000 -0.000 5.669) 5.669 11.966 ( 0.000 0.000 1.522) 1.522 12.165 ( 0.000 0.000 -1.615) 1.615 12.589 ( 0.000 0.000 -15.400) 15.400 12.747 ( 0.000 0.000 -18.326) 18.326 12.797 ( 0.000 0.000 27.661) 27.661 12.929 ( 0.000 0.000 15.204) 15.204 13.197 ( 0.000 0.000 1.309) 1.309 13.725 ( 0.000 0.000 1.650) 1.650 13.890 ( 0.000 0.000 0.103) 0.103 13.922 ( 0.000 0.000 9.632) 9.632 14.718 ( 0.000 0.000 10.239) 10.239 14.779 ( 0.000 0.000 1.731) 1.731 14.785 ( 0.000 0.000 -1.563) 1.563 15.687 ( 0.000 0.000 -1.831) 1.831 15.754 ( 0.000 0.000 10.151) 10.151 16.101 ( 0.000 -0.000 -16.671) 16.671 17.339 ( 0.000 0.000 16.009) 16.009 17.716 ( 0.000 0.000 8.460) 8.460 17.731 ( 0.000 0.000 2.889) 2.889 17.963 ( 0.000 0.000 0.281) 0.281 18.524 ( 0.000 0.000 -1.117) 1.117 19.241 ( 0.000 0.000 -8.500) 8.500 27.255 ( 0.000 0.000 1.129) 1.129 27.442 ( 0.000 0.000 0.586) 0.586 29.716 ( 0.000 0.000 1.921) 1.921 29.940 ( 0.000 0.000 0.935) 0.935 30.118 ( 0.000 0.000 7.357) 7.357 30.498 ( 0.000 0.000 15.588) 15.588 30.521 ( 0.000 0.000 -2.076) 2.076 32.965 ( 0.000 0.000 -10.779) 10.779 ======================= Grid point 146 (57/180) ======================= q-point: ( 0.12 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 11.888 -0.000 12.269) 17.084 3.358 ( 8.440 -0.000 9.526) 12.727 4.063 ( -1.118 0.000 -16.084) 16.123 4.703 ( 14.704 0.000 6.367) 16.023 5.236 ( 9.798 -0.000 9.475) 13.630 5.404 ( -11.679 -0.000 11.728) 16.551 5.986 ( 11.046 0.000 -1.945) 11.216 6.372 ( -8.252 0.000 -3.750) 9.065 6.440 ( -5.740 0.000 -6.639) 8.776 7.302 ( 22.099 -0.000 -8.589) 23.709 7.421 ( -7.947 0.000 -11.584) 14.048 7.850 ( 13.479 0.000 -8.069) 15.710 10.298 ( -6.184 0.000 10.041) 11.793 10.365 ( -7.359 0.000 -13.107) 15.031 10.738 ( 1.750 0.000 0.360) 1.787 11.259 ( 6.109 0.000 -27.761) 28.426 11.669 ( -14.104 0.000 -0.495) 14.112 11.865 ( -3.107 0.000 -0.770) 3.201 12.113 ( 4.904 0.000 -1.315) 5.078 12.195 ( 0.443 -0.000 -3.825) 3.850 12.557 ( -1.445 0.000 -9.005) 9.120 12.783 ( 3.372 0.000 -13.977) 14.378 12.884 ( 6.062 0.000 18.786) 19.740 13.059 ( 11.533 0.000 13.512) 17.764 13.242 ( 4.568 0.000 2.225) 5.081 13.740 ( 1.478 0.000 1.766) 2.303 13.767 ( -7.108 0.000 3.551) 7.946 14.023 ( 4.594 0.000 6.455) 7.923 14.601 ( -13.319 0.000 1.926) 13.457 14.722 ( -5.877 -0.000 -2.174) 6.266 14.724 ( -1.976 0.000 10.486) 10.671 15.458 ( -14.267 0.000 5.853) 15.421 15.931 ( 9.368 0.000 3.990) 10.183 16.216 ( 10.063 -0.000 -17.951) 20.579 17.331 ( -1.177 0.000 16.733) 16.774 17.670 ( -4.924 0.000 2.642) 5.588 17.703 ( -1.329 0.000 6.539) 6.672 17.943 ( -1.616 0.000 0.536) 1.702 18.573 ( 4.099 0.000 -0.882) 4.192 19.201 ( -3.748 0.000 -7.569) 8.446 27.262 ( 0.758 0.000 1.211) 1.429 27.441 ( -0.073 0.000 0.647) 0.651 29.690 ( -2.306 0.000 2.367) 3.304 29.870 ( -5.855 0.000 1.611) 6.073 30.129 ( 0.817 0.000 7.606) 7.649 30.290 ( -7.267 0.000 11.555) 13.650 30.873 ( 20.044 0.000 0.621) 20.054 32.895 ( -6.680 0.000 -10.580) 12.512 ======================= Grid point 148 (58/180) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 15.830 -0.000 12.128) 19.942 3.602 ( 14.951 -0.000 10.593) 18.324 4.059 ( 0.219 0.000 -13.242) 13.244 4.932 ( -1.280 0.000 17.288) 17.335 5.269 ( 5.210 0.000 6.056) 7.989 5.492 ( 13.001 -0.000 -0.531) 13.011 5.978 ( -6.413 0.000 -16.084) 17.315 6.306 ( -5.703 0.000 -0.918) 5.776 6.483 ( 14.001 0.000 1.554) 14.087 7.225 ( -11.259 0.000 -9.864) 14.969 7.793 ( 24.346 0.000 -10.262) 26.420 8.162 ( 15.711 0.000 -11.302) 19.354 10.179 ( -4.527 0.000 13.010) 13.775 10.229 ( -5.467 0.000 -10.094) 11.479 10.728 ( -1.890 0.000 10.506) 10.675 11.225 ( -12.423 0.000 -6.887) 14.204 11.540 ( 4.546 0.000 -14.074) 14.790 11.853 ( 1.495 0.000 -9.876) 9.989 12.155 ( -3.858 0.000 -7.419) 8.362 12.158 ( -0.400 -0.000 -3.282) 3.306 12.568 ( 2.993 -0.000 -10.739) 11.149 12.878 ( 5.666 -0.000 -12.179) 13.432 12.998 ( 5.037 0.000 12.244) 13.240 13.326 ( 11.912 0.000 11.603) 16.629 13.377 ( 7.836 -0.000 4.642) 9.108 13.608 ( -8.024 0.000 4.489) 9.194 13.785 ( 2.898 0.000 2.133) 3.598 14.056 ( -3.988 0.000 0.204) 3.993 14.305 ( -10.849 0.000 10.327) 14.978 14.558 ( -9.846 0.000 -4.003) 10.628 14.678 ( -2.432 0.000 9.799) 10.096 15.145 ( -15.325 0.000 11.418) 19.110 16.117 ( 8.753 0.000 2.766) 9.180 16.454 ( 11.226 -0.000 -20.118) 23.039 17.270 ( -4.340 0.000 14.894) 15.513 17.596 ( -0.943 0.000 5.084) 5.171 17.652 ( -3.820 0.000 2.028) 4.324 17.910 ( -1.561 -0.000 1.522) 2.181 18.661 ( 4.069 0.000 -0.438) 4.093 19.097 ( -6.062 0.000 -5.441) 8.146 27.288 ( 1.845 0.000 1.346) 2.284 27.437 ( -0.431 0.000 0.798) 0.907 29.637 ( -2.468 0.000 3.380) 4.185 29.746 ( -5.519 0.000 3.798) 6.699 30.140 ( 0.047 0.000 8.337) 8.337 30.180 ( -3.884 -0.000 11.803) 12.426 31.302 ( 21.115 0.000 -3.476) 21.399 32.703 ( -11.615 0.000 -10.031) 15.348 ======================= Grid point 150 (59/180) ======================= q-point: ( 0.38 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( 14.137 -0.000 9.525) 17.046 3.955 ( 18.880 0.000 12.686) 22.747 4.032 ( -3.840 -0.000 -6.635) 7.666 4.708 ( -15.445 0.000 21.213) 26.240 5.445 ( 5.479 0.000 -3.198) 6.344 5.639 ( -0.631 -0.000 -11.419) 11.436 6.000 ( 10.409 0.000 -14.364) 17.739 6.283 ( 3.206 -0.000 1.601) 3.584 6.724 ( 7.774 -0.000 0.018) 7.775 6.975 ( -11.959 0.000 -5.218) 13.048 8.245 ( 18.254 0.000 -13.635) 22.785 8.435 ( 9.291 -0.000 -14.304) 17.056 10.120 ( -1.544 0.000 15.653) 15.728 10.141 ( -3.124 -0.000 -2.725) 4.145 10.705 ( 0.426 0.000 14.370) 14.377 10.947 ( -12.172 0.000 1.078) 12.219 11.683 ( 7.739 0.000 -12.590) 14.778 11.890 ( 1.006 0.000 -12.453) 12.494 12.063 ( -4.174 0.000 -9.308) 10.201 12.111 ( -3.513 0.000 -6.779) 7.635 12.689 ( 8.745 -0.000 -12.820) 15.518 12.994 ( 4.503 -0.000 -12.476) 13.264 13.092 ( 3.714 0.000 2.587) 4.526 13.287 ( -13.386 0.000 -2.251) 13.574 13.532 ( 6.848 0.000 7.878) 10.439 13.634 ( 8.072 0.000 10.465) 13.216 13.849 ( 2.749 -0.000 3.082) 4.130 13.875 ( -8.328 0.000 0.665) 8.354 14.211 ( -2.248 0.000 14.549) 14.722 14.333 ( -11.050 -0.000 -2.559) 11.342 14.647 ( 0.233 0.000 10.212) 10.215 14.870 ( -10.779 0.000 15.537) 18.910 16.294 ( 8.597 0.000 1.142) 8.673 16.580 ( -0.658 -0.000 -13.362) 13.378 17.245 ( 3.985 0.000 3.057) 5.022 17.546 ( -6.436 0.000 -3.075) 7.133 17.636 ( 4.399 0.000 9.388) 10.368 17.862 ( -3.686 -0.000 4.090) 5.506 18.740 ( 3.908 0.000 -0.350) 3.924 18.964 ( -6.658 -0.000 -3.170) 7.375 27.335 ( 2.528 0.000 1.352) 2.867 27.420 ( -1.237 0.000 0.994) 1.587 29.600 ( -0.897 0.000 4.532) 4.620 29.654 ( -3.442 0.000 5.255) 6.282 30.124 ( -1.569 0.000 10.894) 11.007 30.130 ( -0.871 -0.000 9.226) 9.267 31.723 ( 19.565 0.000 -6.205) 20.526 32.430 ( -14.784 0.000 -9.183) 17.404 ======================= Grid point 152 (60/180) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.885 ( -8.387 -2.012 2.763) 9.057 3.885 ( 8.387 2.012 2.763) 9.057 4.350 ( -18.307 -0.643 16.759) 24.828 4.350 ( 18.307 0.643 16.759) 24.828 5.544 ( -3.352 -3.285 -10.408) 11.417 5.544 ( 3.352 3.285 -10.408) 11.417 6.256 ( -7.954 -1.472 -8.305) 11.593 6.256 ( 7.954 1.472 -8.305) 11.593 6.812 ( -3.325 -0.000 0.537) 3.368 6.812 ( 3.325 0.000 0.537) 3.368 8.490 ( -4.679 -0.017 -15.504) 16.195 8.490 ( 4.679 0.017 -15.504) 16.195 10.106 ( -0.015 -3.103 9.324) 9.827 10.106 ( 0.015 3.103 9.324) 9.827 10.764 ( -2.536 -4.946 8.658) 10.289 10.764 ( 2.536 4.947 8.658) 10.289 11.835 ( -6.247 -0.073 -9.746) 11.576 11.835 ( 6.247 0.073 -9.746) 11.576 12.043 ( -0.761 -3.074 -10.677) 11.137 12.043 ( 0.761 3.074 -10.677) 11.137 12.916 ( -12.272 -0.014 -9.223) 15.351 12.916 ( 12.272 0.014 -9.223) 15.351 13.130 ( -0.090 -1.290 -8.954) 9.047 13.130 ( 0.090 1.290 -8.954) 9.047 13.656 ( -4.148 -1.062 7.394) 8.545 13.656 ( 4.148 1.062 7.394) 8.545 13.852 ( -2.505 -0.786 6.714) 7.209 13.852 ( 2.505 0.786 6.714) 7.209 14.184 ( -1.737 -0.023 6.090) 6.333 14.184 ( 1.737 0.023 6.090) 6.333 14.705 ( -2.632 -4.275 13.943) 14.819 14.705 ( 2.632 4.275 13.943) 14.819 16.469 ( -4.003 -6.165 -2.891) 7.899 16.469 ( 4.003 6.165 -2.891) 7.899 17.393 ( -5.225 -3.931 -5.828) 8.760 17.393 ( 5.225 3.931 -5.828) 8.760 17.754 ( -3.124 -4.841 8.469) 10.242 17.754 ( 3.124 4.841 8.469) 10.242 18.836 ( -3.245 -3.153 -1.320) 4.713 18.836 ( 3.245 3.153 -1.320) 4.713 27.385 ( -2.077 -0.114 1.203) 2.403 27.385 ( 2.077 0.114 1.203) 2.403 29.605 ( -1.299 -0.034 5.361) 5.517 29.605 ( 1.299 0.034 5.361) 5.517 30.114 ( -0.105 -0.693 10.031) 10.055 30.114 ( 0.105 0.693 10.031) 10.055 32.101 ( -17.211 -0.027 -7.975) 18.969 32.101 ( 17.211 0.027 -7.975) 18.969 ======================= Grid point 198 (61/180) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.000 0.000 37.490) 37.490 1.783 ( 0.000 0.000 41.233) 41.233 3.070 ( 0.000 0.000 68.032) 68.032 4.604 ( 0.000 0.000 -6.029) 6.029 5.142 ( 0.000 0.000 -12.111) 12.111 5.542 ( 0.000 0.000 0.951) 0.951 5.929 ( 0.000 0.000 0.191) 0.191 6.427 ( 0.000 0.000 -30.967) 30.967 6.447 ( 0.000 0.000 -16.609) 16.609 6.914 ( 0.000 0.000 -10.392) 10.392 7.224 ( 0.000 0.000 -24.645) 24.645 8.424 ( 0.000 0.000 -31.321) 31.321 10.416 ( 0.000 0.000 -13.632) 13.632 10.645 ( 0.000 0.000 11.124) 11.124 10.827 ( 0.000 0.000 11.548) 11.548 11.286 ( 0.000 0.000 -1.048) 1.048 11.854 ( 0.000 0.000 8.649) 8.649 11.995 ( 0.000 0.000 -1.419) 1.419 12.243 ( 0.000 0.000 -11.476) 11.476 12.265 ( 0.000 0.000 3.477) 3.477 12.508 ( 0.000 0.000 4.360) 4.360 12.650 ( 0.000 0.000 -1.051) 1.051 13.090 ( 0.000 0.000 -11.438) 11.438 13.208 ( 0.000 0.000 3.721) 3.721 13.647 ( 0.000 0.000 4.164) 4.164 13.849 ( 0.000 0.000 -1.773) 1.773 13.919 ( 0.000 0.000 16.302) 16.302 13.987 ( 0.000 0.000 1.840) 1.840 14.656 ( 0.000 0.000 -0.403) 0.403 14.723 ( 0.000 0.000 0.120) 0.120 15.076 ( 0.000 0.000 0.505) 0.505 15.596 ( 0.000 0.000 -4.803) 4.803 16.026 ( 0.000 0.000 -3.872) 3.872 16.068 ( 0.000 0.000 4.796) 4.796 17.247 ( 0.000 0.000 8.438) 8.438 17.485 ( 0.000 0.000 9.156) 9.156 17.835 ( 0.000 0.000 -2.437) 2.437 18.088 ( 0.000 0.000 6.786) 6.786 18.466 ( 0.000 0.000 -1.835) 1.835 18.665 ( 0.000 0.000 6.368) 6.368 27.172 ( 0.000 0.000 2.803) 2.803 27.384 ( 0.000 0.000 0.860) 0.860 29.574 ( 0.000 0.000 5.556) 5.556 29.850 ( 0.000 0.000 3.037) 3.037 30.405 ( 0.000 0.000 -2.567) 2.567 30.687 ( 0.000 0.000 -6.856) 6.856 30.850 ( 0.000 0.000 13.769) 13.769 32.655 ( 0.000 0.000 -6.961) 6.961 ======================= Grid point 199 (62/180) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 20.464 0.000 33.186) 38.989 2.023 ( 13.279 0.000 40.271) 42.404 3.262 ( 25.124 0.000 60.506) 65.515 4.724 ( 7.758 0.000 -6.794) 10.312 5.117 ( -2.504 0.000 -11.360) 11.633 5.438 ( -6.514 0.000 -2.640) 7.029 6.042 ( 9.386 0.000 0.943) 9.434 6.256 ( -14.873 0.000 -10.931) 18.458 6.399 ( -1.166 0.000 -28.860) 28.884 7.072 ( 11.641 0.000 -16.309) 20.037 7.322 ( 7.853 0.000 -21.446) 22.839 8.354 ( -6.691 0.000 -30.647) 31.369 10.418 ( 0.800 0.000 -13.741) 13.764 10.538 ( -6.812 0.000 8.585) 10.959 10.908 ( 4.662 0.000 11.484) 12.394 11.360 ( 5.369 0.000 -1.278) 5.519 11.751 ( -6.788 0.000 9.116) 11.365 11.753 ( -12.280 0.000 -5.724) 13.548 12.225 ( -6.521 0.000 -1.305) 6.650 12.360 ( 0.914 0.000 -1.048) 1.390 12.576 ( 6.580 0.000 6.021) 8.919 12.621 ( -1.578 0.000 1.017) 1.878 13.169 ( 6.677 0.000 -7.714) 10.202 13.214 ( 0.110 0.000 5.434) 5.436 13.653 ( 1.193 0.000 3.895) 4.073 13.791 ( -0.627 0.000 8.494) 8.517 14.030 ( 3.861 0.000 0.964) 3.979 14.080 ( 9.157 0.000 -1.162) 9.230 14.654 ( -0.378 0.000 -0.314) 0.492 14.671 ( -4.748 0.000 0.696) 4.799 15.108 ( 2.564 0.000 -1.316) 2.882 15.299 ( -19.060 0.000 -0.304) 19.062 15.993 ( -2.782 0.000 -1.432) 3.129 16.205 ( 6.113 0.000 4.673) 7.695 17.240 ( -0.420 0.000 7.540) 7.551 17.334 ( -7.592 0.000 10.467) 12.931 17.968 ( 5.149 0.000 -1.667) 5.412 18.022 ( -5.638 0.000 6.743) 8.790 18.530 ( 5.201 0.000 -1.656) 5.458 18.657 ( 0.345 0.000 2.070) 2.098 27.180 ( 0.903 0.000 2.593) 2.746 27.377 ( -0.636 0.000 0.967) 1.158 29.661 ( 6.764 0.000 3.186) 7.477 29.852 ( 0.297 0.000 3.010) 3.025 30.253 ( -10.699 0.000 -1.562) 10.812 30.664 ( -3.526 0.000 0.758) 3.606 31.026 ( 14.284 0.000 4.881) 15.095 32.586 ( -6.022 0.000 -5.212) 7.964 ======================= Grid point 200 (63/180) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 15.015 0.000 39.245) 42.019 2.392 ( 32.380 0.000 25.459) 41.190 4.073 ( 47.015 0.000 40.338) 61.948 4.624 ( -19.579 0.000 -5.694) 20.390 4.998 ( -11.014 0.000 -6.563) 12.821 5.523 ( 14.685 0.000 -3.244) 15.039 5.954 ( -11.811 0.000 -9.623) 15.235 6.194 ( 3.021 0.000 -23.133) 23.329 6.478 ( 10.503 0.000 -6.327) 12.261 7.299 ( 9.215 0.000 -21.890) 23.751 7.480 ( 6.499 0.000 -14.942) 16.295 8.154 ( -12.667 0.000 -27.908) 30.648 10.438 ( -1.983 0.000 5.050) 5.425 10.481 ( 5.898 0.000 -12.706) 14.009 10.982 ( 3.260 0.000 9.428) 9.976 11.379 ( -5.387 0.000 -9.557) 10.971 11.637 ( 0.725 0.000 5.969) 6.013 11.655 ( -2.541 0.000 7.315) 7.744 12.026 ( -11.371 0.000 -6.905) 13.303 12.224 ( -12.291 0.000 -0.219) 12.292 12.639 ( 3.526 0.000 4.001) 5.333 12.686 ( 2.725 0.000 10.240) 10.596 13.190 ( -2.108 0.000 10.890) 11.092 13.329 ( 8.228 0.000 -3.971) 9.136 13.713 ( 4.431 0.000 3.391) 5.580 13.832 ( 3.960 0.000 5.706) 6.945 14.126 ( 5.047 0.000 -1.201) 5.188 14.203 ( 1.910 0.000 -6.848) 7.109 14.539 ( -7.750 0.000 1.687) 7.931 14.608 ( -5.023 0.000 2.415) 5.573 15.040 ( -4.105 0.000 -3.956) 5.701 15.152 ( 1.231 0.000 -5.037) 5.186 15.939 ( -1.658 0.000 4.851) 5.126 16.237 ( -2.418 0.000 10.023) 10.310 17.248 ( 1.720 0.000 5.310) 5.582 17.267 ( 0.756 0.000 8.225) 8.260 17.883 ( -7.527 0.000 7.282) 10.473 17.945 ( -6.376 0.000 3.042) 7.065 18.644 ( 5.340 0.000 -1.926) 5.677 18.702 ( 3.439 0.000 -4.194) 5.424 27.210 ( 1.942 0.000 2.186) 2.924 27.359 ( -1.101 0.000 1.238) 1.656 29.767 ( 2.092 0.000 2.659) 3.383 29.895 ( 5.056 0.000 2.060) 5.460 30.043 ( -9.169 0.000 -0.172) 9.170 30.552 ( -7.009 0.000 2.494) 7.440 31.352 ( 16.590 0.000 1.091) 16.626 32.434 ( -8.512 0.000 -3.541) 9.219 ======================= Grid point 201 (64/180) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 28.463 0.000 22.599) 36.344 3.109 ( 35.936 0.000 18.363) 40.356 4.080 ( -30.216 0.000 0.117) 30.216 4.563 ( -25.640 0.000 6.728) 26.508 5.041 ( 39.437 0.000 25.812) 47.133 5.771 ( 5.026 0.000 -4.771) 6.930 5.845 ( 0.887 0.000 -16.127) 16.151 6.185 ( -4.877 0.000 -17.190) 17.869 6.785 ( 19.027 0.000 -11.547) 22.257 7.410 ( 0.294 0.000 -25.084) 25.086 7.576 ( 3.198 0.000 -10.978) 11.434 7.851 ( -15.564 0.000 -21.518) 26.557 10.481 ( 6.190 0.000 2.629) 6.725 10.645 ( 7.884 0.000 -9.702) 12.501 11.090 ( 7.729 0.000 5.924) 9.738 11.214 ( -7.821 0.000 -5.783) 9.727 11.578 ( -7.153 0.000 0.503) 7.171 11.664 ( -0.676 0.000 11.293) 11.313 11.833 ( -5.119 0.000 -6.880) 8.576 11.924 ( -14.465 0.000 -7.914) 16.489 12.696 ( -0.680 0.000 13.280) 13.297 12.710 ( 1.254 0.000 9.417) 9.500 13.205 ( 5.623 0.000 8.178) 9.925 13.454 ( 2.178 0.000 -0.091) 2.179 13.820 ( 5.810 0.000 1.569) 6.018 13.923 ( 3.919 0.000 2.771) 4.800 14.174 ( -3.314 0.000 -5.249) 6.208 14.206 ( 1.106 0.000 -4.909) 5.032 14.387 ( -4.942 0.000 4.145) 6.451 14.488 ( -5.433 0.000 2.616) 6.030 15.062 ( 3.407 0.000 -7.174) 7.942 15.154 ( -0.907 0.000 -7.120) 7.178 15.947 ( 2.440 0.000 10.665) 10.941 16.145 ( -5.700 0.000 13.344) 14.511 17.319 ( 5.035 0.000 2.556) 5.647 17.334 ( 4.890 0.000 5.336) 7.237 17.725 ( -7.426 0.000 8.480) 11.272 17.769 ( -9.439 0.000 5.261) 10.806 18.735 ( 3.374 0.000 -2.687) 4.314 18.763 ( 2.037 0.000 -4.927) 5.332 27.254 ( 2.236 0.000 1.946) 2.964 27.333 ( -1.491 0.000 1.547) 2.149 29.779 ( 0.247 0.000 2.899) 2.910 29.887 ( -5.858 0.000 1.076) 5.956 30.036 ( 7.873 0.000 1.557) 8.026 30.388 ( -8.643 0.000 2.243) 8.929 31.687 ( 15.736 0.000 -0.644) 15.749 32.237 ( -10.773 0.000 -2.741) 11.116 ======================= Grid point 202 (65/180) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( -27.975 0.000 8.679) 29.291 3.351 ( 27.975 0.000 8.679) 29.291 3.920 ( -32.201 0.000 12.583) 34.572 3.920 ( 32.201 0.000 12.583) 34.572 5.677 ( -13.774 0.000 9.113) 16.515 5.677 ( 13.774 0.000 9.113) 16.515 5.968 ( -11.408 0.000 -13.601) 17.752 5.968 ( 11.408 0.000 -13.601) 17.752 7.212 ( -19.107 0.000 -23.756) 30.487 7.212 ( 19.107 0.000 -23.756) 30.487 7.639 ( -4.247 0.000 -13.258) 13.921 7.639 ( 4.247 0.000 -13.258) 13.921 10.650 ( -5.051 0.000 -1.476) 5.262 10.650 ( 5.051 0.000 -1.476) 5.262 11.189 ( -0.595 0.000 -3.609) 3.658 11.189 ( 0.595 0.000 -3.609) 3.658 11.510 ( -7.860 0.000 7.604) 10.936 11.510 ( 7.860 0.000 7.604) 10.936 11.796 ( -0.003 0.000 -9.625) 9.625 11.796 ( 0.003 0.000 -9.625) 9.625 12.696 ( -0.095 0.000 14.374) 14.375 12.696 ( 0.095 0.000 14.374) 14.375 13.381 ( -7.121 0.000 2.956) 7.710 13.381 ( 7.121 0.000 2.956) 7.710 13.933 ( -1.117 0.000 0.240) 1.143 13.933 ( 1.117 0.000 0.240) 1.143 14.154 ( -0.391 0.000 -3.015) 3.040 14.154 ( 0.391 0.000 -3.015) 3.040 14.395 ( -0.890 0.000 2.109) 2.289 14.395 ( 0.890 0.000 2.109) 2.289 15.122 ( -0.951 0.000 -7.247) 7.309 15.122 ( 0.951 0.000 -7.247) 7.309 16.029 ( -0.979 0.000 13.331) 13.367 16.029 ( 0.979 0.000 13.331) 13.367 17.407 ( -0.104 0.000 1.043) 1.048 17.407 ( 0.104 0.000 1.043) 1.048 17.630 ( -0.241 0.000 9.240) 9.243 17.630 ( 0.241 0.000 9.240) 9.243 18.778 ( -0.058 0.000 -3.817) 3.817 18.778 ( 0.058 0.000 -3.817) 3.817 27.298 ( -1.529 0.000 1.783) 2.349 27.298 ( 1.530 0.000 1.783) 2.349 29.803 ( -1.360 0.000 2.182) 2.571 29.803 ( 1.360 0.000 2.182) 2.571 30.208 ( -6.428 0.000 1.794) 6.674 30.208 ( 6.428 0.000 1.794) 6.674 31.988 ( -12.811 0.000 -1.852) 12.944 31.988 ( 12.811 0.000 -1.852) 12.944 ======================= Grid point 207 (66/180) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 0.000 15.092 37.485) 40.409 2.025 ( 0.000 30.522 32.863) 44.850 3.118 ( 0.000 11.420 64.393) 65.398 4.659 ( 0.000 5.492 -5.264) 7.607 5.255 ( 0.000 9.507 -11.705) 15.080 5.531 ( 0.000 -1.171 1.389) 1.816 5.833 ( 0.000 -8.147 -2.924) 8.656 6.297 ( 0.000 -4.917 -24.800) 25.283 6.600 ( 0.000 7.592 -15.850) 17.575 6.776 ( 0.000 -12.752 -12.557) 17.897 7.199 ( 0.000 -3.419 -21.440) 21.711 8.376 ( 0.000 -5.489 -30.391) 30.883 10.359 ( 0.000 -5.571 -11.929) 13.166 10.616 ( 0.000 -2.300 5.079) 5.575 10.622 ( 0.000 -14.848 6.367) 16.155 11.319 ( 0.000 -2.951 -2.411) 3.811 11.816 ( 0.000 1.038 5.249) 5.350 12.016 ( 0.000 -11.137 2.983) 11.530 12.135 ( 0.000 9.507 2.430) 9.813 12.424 ( 0.000 4.662 -6.152) 7.718 12.543 ( 0.000 4.649 3.903) 6.070 12.756 ( 0.000 10.162 2.813) 10.544 12.996 ( 0.000 -13.491 -5.959) 14.748 13.187 ( 0.000 3.882 -1.147) 4.048 13.629 ( 0.000 -9.153 -1.555) 9.285 13.815 ( 0.000 0.942 4.416) 4.515 13.834 ( 0.000 -7.053 12.090) 13.997 14.018 ( 0.000 1.668 6.248) 6.467 14.516 ( 0.000 -4.523 2.744) 5.290 14.844 ( 0.000 7.264 1.153) 7.355 15.057 ( 0.000 -1.915 0.804) 2.077 15.605 ( 0.000 0.781 -4.724) 4.788 15.975 ( 0.000 -3.263 -4.755) 5.767 16.246 ( 0.000 9.154 2.427) 9.471 17.191 ( 0.000 -2.295 6.552) 6.942 17.520 ( 0.000 3.469 8.672) 9.340 17.857 ( 0.000 0.919 -1.172) 1.489 18.109 ( 0.000 2.182 6.604) 6.955 18.469 ( 0.000 0.256 -1.859) 1.877 18.676 ( 0.000 1.854 4.437) 4.809 27.184 ( 0.000 1.332 2.612) 2.932 27.388 ( 0.000 0.376 0.881) 0.958 29.589 ( 0.000 1.613 5.413) 5.648 29.852 ( 0.000 0.494 3.632) 3.665 30.402 ( 0.000 -0.247 3.006) 3.016 30.669 ( 0.000 -1.884 -6.612) 6.875 30.834 ( 0.000 -1.249 14.215) 14.270 32.670 ( 0.000 1.111 -10.601) 10.659 ======================= Grid point 208 (67/180) ======================= q-point: ( 0.12 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 11.744 16.182 34.783) 40.120 2.197 ( 11.147 17.010 37.962) 43.066 3.405 ( 29.597 17.564 52.463) 62.744 4.763 ( 5.751 4.074 -6.202) 9.389 5.208 ( -3.628 6.597 -9.645) 12.235 5.450 ( -4.791 2.027 -2.819) 5.916 5.878 ( 0.144 -11.575 -5.149) 12.669 6.279 ( 2.587 -1.708 -14.531) 14.858 6.446 ( -9.010 5.240 -15.311) 18.522 6.963 ( 12.054 -10.053 -18.655) 24.379 7.296 ( 7.859 -2.875 -19.251) 20.991 8.314 ( -5.973 -4.766 -29.488) 30.462 10.364 ( 0.548 -5.749 -9.654) 11.249 10.506 ( -2.860 -2.334 1.946) 4.173 10.775 ( 7.262 -10.168 5.872) 13.806 11.361 ( 3.144 -3.074 -0.931) 4.494 11.726 ( -7.102 0.724 -2.527) 7.573 11.832 ( -11.241 2.383 5.830) 12.885 12.197 ( -0.994 -1.527 3.786) 4.202 12.377 ( -1.942 3.412 -3.638) 5.353 12.579 ( -1.675 1.734 2.150) 3.230 12.654 ( -1.747 1.695 3.288) 4.091 13.041 ( -0.206 -8.975 3.655) 9.693 13.267 ( 7.143 4.028 -2.464) 8.562 13.621 ( 0.514 -7.575 4.623) 8.889 13.816 ( 2.082 2.129 3.036) 4.253 13.945 ( 6.489 -6.095 3.042) 9.408 14.110 ( 7.792 1.526 1.972) 8.181 14.474 ( -3.672 -5.732 3.727) 7.761 14.805 ( -3.157 5.807 1.127) 6.705 15.069 ( 0.130 -1.570 0.868) 1.799 15.449 ( -11.043 9.090 -4.714) 15.059 15.940 ( -3.968 -4.525 -0.551) 6.043 16.282 ( 2.704 4.733 2.288) 5.912 17.185 ( -0.352 -1.393 5.940) 6.111 17.404 ( -6.277 4.745 9.917) 12.660 17.917 ( -0.170 -3.067 3.643) 4.765 18.081 ( -1.290 3.719 2.900) 4.889 18.501 ( 2.233 -2.106 -0.001) 3.069 18.702 ( 3.071 4.155 -0.587) 5.200 27.194 ( 0.970 1.420 2.422) 2.971 27.382 ( -0.545 0.470 0.998) 1.230 29.664 ( 5.813 0.373 3.630) 6.863 29.851 ( 0.031 0.326 3.509) 3.525 30.254 ( -9.786 0.038 1.612) 9.918 30.687 ( -2.064 2.369 2.744) 4.171 30.982 ( 13.634 -4.268 5.039) 15.149 32.597 ( -6.448 0.869 -8.659) 10.831 ======================= Grid point 209 (68/180) ======================= q-point: ( 0.25 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 16.254 8.647 35.419) 39.918 2.581 ( 27.117 15.633 27.921) 41.944 4.210 ( 42.162 13.701 35.120) 56.558 4.627 ( -17.500 1.424 -3.488) 17.901 5.122 ( -10.729 11.256 -5.838) 16.610 5.455 ( 5.283 -6.537 -1.389) 8.519 5.822 ( 0.166 -8.455 -14.298) 16.612 6.303 ( -4.564 2.509 -19.816) 20.489 6.491 ( 15.649 5.682 -4.943) 17.367 7.195 ( 10.057 -11.730 -19.686) 25.026 7.451 ( 5.707 -1.049 -17.087) 18.045 8.138 ( -11.074 -2.649 -26.165) 28.535 10.391 ( 2.616 -3.468 -1.724) 4.674 10.529 ( 5.336 2.778 -5.888) 8.417 10.900 ( 5.033 -7.238 3.816) 9.606 11.375 ( -4.617 -2.048 -1.276) 5.210 11.562 ( -3.565 -3.134 2.203) 5.233 11.719 ( -2.459 2.560 3.063) 4.689 12.061 ( -9.907 1.512 -4.053) 10.810 12.226 ( -13.318 3.136 -2.471) 13.903 12.523 ( -0.387 -7.363 2.486) 7.781 12.754 ( 6.091 2.172 10.453) 12.292 13.009 ( -0.924 -10.364 4.743) 11.435 13.409 ( 6.100 1.139 0.801) 6.257 13.670 ( 3.891 -3.803 6.192) 8.243 13.878 ( 3.654 1.462 2.360) 4.589 14.058 ( 3.423 -3.569 -2.798) 5.682 14.217 ( 0.413 -0.276 -1.548) 1.626 14.412 ( -1.255 -3.406 5.050) 6.219 14.734 ( -3.702 4.772 -0.584) 6.068 15.029 ( -2.873 0.255 2.435) 3.775 15.283 ( -4.730 9.930 -7.421) 13.269 15.848 ( -3.754 -7.597 6.279) 10.547 16.323 ( 0.844 6.758 4.261) 8.033 17.184 ( 0.601 -2.120 5.561) 5.982 17.347 ( 0.693 4.190 7.621) 8.724 17.826 ( -6.710 -2.975 7.812) 10.719 18.014 ( -6.308 4.315 2.889) 8.170 18.568 ( 4.379 -4.489 -1.323) 6.409 18.782 ( 3.788 5.138 -4.373) 7.738 27.224 ( 1.895 1.423 2.071) 3.147 27.367 ( -0.930 0.744 1.279) 1.748 29.755 ( 1.817 -1.143 3.238) 3.885 29.866 ( 1.260 -1.822 2.264) 3.167 30.087 ( -5.015 3.499 2.176) 6.491 30.596 ( -6.223 4.099 4.659) 8.788 31.306 ( 16.775 -4.408 0.538) 17.353 32.432 ( -9.250 -0.210 -6.116) 11.091 ======================= Grid point 210 (69/180) ======================= q-point: ( 0.38 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 26.912 6.407 21.459) 35.012 3.224 ( 33.441 10.357 19.807) 40.223 4.078 ( -28.035 0.280 2.227) 28.125 4.655 ( -27.782 7.977 7.963) 29.982 5.134 ( 35.328 9.514 22.307) 42.851 5.573 ( 6.428 -10.633 -7.576) 14.552 5.889 ( 2.288 -1.679 -19.579) 19.783 6.222 ( -5.988 1.818 -9.867) 11.684 6.865 ( 20.491 8.491 -14.353) 26.419 7.382 ( 8.601 -11.711 -15.489) 21.237 7.484 ( -3.170 1.012 -19.366) 19.650 7.864 ( -15.139 -0.478 -19.715) 24.862 10.494 ( 7.411 0.761 1.948) 7.701 10.701 ( 9.579 4.078 -6.757) 12.411 10.998 ( 3.667 -6.860 0.263) 7.783 11.232 ( -4.355 -0.042 2.810) 5.183 11.540 ( -3.790 -3.589 3.663) 6.377 11.650 ( -4.952 -0.417 2.415) 5.525 11.853 ( -8.606 0.376 -6.230) 10.631 11.943 ( -10.994 3.542 -9.725) 15.099 12.534 ( 1.036 -8.724 5.536) 10.384 12.770 ( -3.857 -1.048 12.016) 12.663 13.114 ( 10.960 -6.439 4.333) 13.430 13.487 ( -0.066 -2.626 1.578) 3.065 13.759 ( 4.567 -1.945 4.080) 6.426 13.954 ( 1.459 -5.374 1.481) 5.762 14.029 ( -2.673 1.066 -2.021) 3.516 14.236 ( 1.980 -0.334 0.127) 2.011 14.368 ( -3.279 0.003 2.694) 4.244 14.645 ( -4.737 7.923 -0.018) 9.231 15.027 ( 2.499 -2.561 -0.165) 3.582 15.210 ( -2.908 4.910 -6.806) 8.882 15.808 ( -0.434 -8.812 10.413) 13.647 16.319 ( -0.816 12.745 7.189) 14.656 17.234 ( 4.456 -4.824 3.571) 7.476 17.397 ( 2.814 2.609 3.564) 5.237 17.684 ( -6.172 -1.286 8.634) 10.691 17.851 ( -8.349 5.556 5.603) 11.488 18.657 ( 3.608 -4.488 -3.180) 6.578 18.837 ( 1.516 4.112 -3.855) 5.837 27.266 ( 2.047 1.211 1.820) 2.995 27.344 ( -1.232 1.158 1.620) 2.342 29.759 ( -0.385 -1.543 3.466) 3.813 29.842 ( -3.005 -3.312 1.972) 4.888 30.102 ( 5.223 5.386 2.859) 8.030 30.448 ( -7.749 5.301 4.097) 10.243 31.646 ( 15.987 -3.858 -1.628) 16.527 32.221 ( -11.296 -1.494 -4.489) 12.247 ======================= Grid point 211 (70/180) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 0.000 -0.173 8.382) 8.383 3.475 ( -0.000 7.330 10.540) 12.839 3.998 ( -0.002 7.272 14.235) 15.985 3.999 ( 0.002 6.976 13.842) 15.500 5.533 ( -0.000 -6.817 -0.631) 6.846 5.745 ( -0.000 2.285 2.127) 3.122 5.963 ( -0.000 0.458 -7.359) 7.373 5.999 ( 0.000 1.341 -8.993) 9.093 7.261 ( -0.000 5.613 -26.335) 26.927 7.299 ( 0.000 5.448 -18.421) 19.210 7.560 ( 0.000 -7.298 -10.360) 12.672 7.590 ( -0.000 -3.613 -15.715) 16.125 10.623 ( -0.000 0.438 2.197) 2.240 10.785 ( 0.000 8.243 -3.617) 9.002 11.028 ( 0.000 -10.367 1.609) 10.491 11.273 ( 0.000 3.120 -2.169) 3.800 11.466 ( 0.000 -4.039 3.378) 5.265 11.485 ( -0.000 -1.516 6.858) 7.023 11.790 ( -0.000 0.034 -10.796) 10.797 11.838 ( 0.000 3.226 -11.924) 12.353 12.552 ( -0.000 -7.896 8.114) 11.322 12.708 ( 0.000 -3.490 11.819) 12.323 13.359 ( 0.000 -7.770 2.374) 8.124 13.368 ( -0.000 -0.358 3.496) 3.514 13.863 ( -0.000 0.812 4.578) 4.650 13.866 ( 0.000 -11.677 -2.768) 12.001 14.067 ( 0.000 3.767 2.759) 4.669 14.237 ( -0.000 1.940 -1.169) 2.265 14.338 ( 0.000 -1.632 0.527) 1.715 14.584 ( 0.000 7.611 1.710) 7.801 15.070 ( -0.000 -3.367 -1.812) 3.823 15.172 ( 0.000 3.676 -5.386) 6.521 15.808 ( 0.000 -9.127 11.533) 14.708 16.307 ( 0.000 15.262 8.394) 17.418 17.322 ( -0.000 -6.785 0.870) 6.841 17.403 ( 0.000 -0.054 2.246) 2.247 17.631 ( 0.000 0.911 7.202) 7.260 17.735 ( -0.000 7.633 9.507) 12.192 18.697 ( 0.000 -4.122 -4.033) 5.767 18.851 ( 0.000 3.416 -3.054) 4.582 27.296 ( -0.000 0.624 1.514) 1.638 27.323 ( 0.000 1.822 1.997) 2.704 29.756 ( 0.000 -2.356 2.973) 3.793 29.803 ( -0.000 -1.725 2.800) 3.289 30.202 ( 0.000 3.151 2.852) 4.250 30.326 ( 0.000 7.197 3.782) 8.130 31.921 ( 0.000 -4.407 -3.533) 5.649 31.997 ( -0.000 -1.201 -2.776) 3.025 ======================= Grid point 216 (71/180) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.000 22.379 30.335) 37.696 2.430 ( 0.000 14.355 42.799) 45.142 3.690 ( 0.000 42.859 38.180) 57.399 4.792 ( 0.000 7.328 -2.351) 7.696 5.256 ( 0.000 -13.519 -7.845) 15.631 5.494 ( 0.000 -2.631 2.430) 3.581 5.843 ( 0.000 12.308 -10.357) 16.086 6.236 ( 0.000 -2.210 -15.913) 16.066 6.503 ( 0.000 -13.629 -15.343) 20.522 6.749 ( 0.000 9.446 -9.480) 13.383 7.079 ( 0.000 -9.079 -17.324) 19.559 8.189 ( 0.000 -14.369 -26.839) 30.444 10.238 ( 0.000 -6.054 -11.817) 13.278 10.395 ( 0.000 -7.477 -1.500) 7.626 10.577 ( 0.000 -1.668 -2.379) 2.905 11.166 ( 0.000 -10.665 -6.544) 12.512 11.850 ( 0.000 -6.223 6.656) 9.112 11.873 ( 0.000 3.323 2.344) 4.067 12.239 ( 0.000 0.593 -0.987) 1.151 12.439 ( 0.000 -2.669 -7.128) 7.611 12.702 ( 0.000 -15.794 -8.791) 18.076 12.749 ( 0.000 16.052 13.556) 21.011 12.994 ( 0.000 13.853 4.046) 14.432 13.163 ( 0.000 -11.676 4.767) 12.611 13.455 ( 0.000 -1.644 1.600) 2.295 13.676 ( 0.000 -8.933 11.503) 14.564 13.846 ( 0.000 1.026 -1.498) 1.816 14.039 ( 0.000 0.589 7.204) 7.228 14.526 ( 0.000 3.761 0.357) 3.778 14.976 ( 0.000 5.376 2.251) 5.828 15.006 ( 0.000 -3.260 1.511) 3.593 15.620 ( 0.000 0.655 -4.483) 4.531 15.904 ( 0.000 -3.538 -2.608) 4.396 16.249 ( 0.000 -7.377 6.682) 9.953 17.262 ( 0.000 8.806 3.148) 9.352 17.607 ( 0.000 5.321 7.527) 9.218 17.863 ( 0.000 0.441 3.546) 3.573 18.139 ( 0.000 0.084 6.526) 6.526 18.475 ( 0.000 0.383 -1.935) 1.972 18.754 ( 0.000 6.116 -1.952) 6.420 27.219 ( 0.000 2.100 2.202) 3.043 27.399 ( 0.000 0.793 0.884) 1.188 29.633 ( 0.000 2.857 5.012) 5.770 29.879 ( 0.000 2.376 4.817) 5.372 30.395 ( 0.000 -0.639 9.492) 9.513 30.618 ( 0.000 -3.290 -5.947) 6.796 30.816 ( 0.000 -0.348 15.145) 15.149 32.684 ( 0.000 0.236 -14.996) 14.998 ======================= Grid point 217 (72/180) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 6.647 19.734 34.814) 40.566 2.545 ( 11.780 18.364 35.117) 41.343 3.957 ( 24.640 36.250 33.811) 55.357 4.860 ( 0.844 4.876 -3.697) 6.177 5.198 ( -1.334 -8.101 -4.719) 9.469 5.490 ( 1.183 -1.854 -5.398) 5.829 5.794 ( -9.070 5.918 -2.482) 11.111 6.208 ( 2.737 -4.224 -16.290) 17.049 6.558 ( 2.173 4.833 -8.610) 10.110 6.768 ( 4.404 -6.749 -18.384) 20.072 7.214 ( 10.961 -5.199 -16.522) 20.497 8.148 ( -4.020 -12.830 -25.862) 29.148 10.232 ( 0.965 -6.748 -7.077) 9.826 10.466 ( 4.240 -2.077 -4.801) 6.734 10.610 ( 4.657 -5.940 -2.524) 7.959 11.227 ( 4.660 -9.614 -4.871) 11.742 11.725 ( -9.405 -1.192 -1.003) 9.533 11.839 ( -4.756 0.093 4.729) 6.708 12.201 ( -3.644 -0.789 3.003) 4.787 12.391 ( -2.650 -2.542 -5.418) 6.545 12.589 ( -8.642 -6.507 -5.777) 12.263 12.742 ( -0.846 10.748 9.705) 14.506 12.983 ( -2.166 5.024 3.970) 6.760 13.245 ( 4.660 -8.867 5.530) 11.442 13.479 ( 4.233 -1.930 2.447) 5.256 13.744 ( 4.896 -7.878 5.576) 10.823 13.897 ( 5.087 -0.584 1.460) 5.324 14.141 ( 8.272 1.873 5.089) 9.891 14.463 ( -5.388 2.546 0.594) 5.989 14.872 ( -6.103 0.191 2.256) 6.509 15.064 ( 1.430 0.582 2.804) 3.201 15.560 ( -4.924 2.325 -3.486) 6.465 15.857 ( -5.639 -2.867 0.899) 6.390 16.282 ( 4.454 -4.676 1.548) 6.641 17.260 ( -0.748 8.608 2.714) 9.056 17.495 ( -7.078 4.709 9.353) 12.639 17.879 ( -1.499 -0.734 7.140) 7.333 18.128 ( -0.513 0.718 3.629) 3.735 18.474 ( -0.017 -0.362 -0.831) 0.907 18.801 ( 3.875 5.820 -3.884) 7.998 27.229 ( 1.014 2.108 2.093) 3.139 27.395 ( -0.320 0.929 1.026) 1.421 29.679 ( 3.562 1.283 4.516) 5.894 29.873 ( -0.676 1.898 4.519) 4.948 30.251 ( -7.977 -0.264 5.968) 9.966 30.751 ( 0.381 4.171 7.270) 8.390 30.875 ( 12.436 -6.618 3.939) 14.628 32.609 ( -6.827 0.291 -13.590) 15.212 ======================= Grid point 218 (73/180) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 14.855 19.714 30.342) 39.114 2.903 ( 22.628 17.097 27.535) 39.529 4.471 ( 2.621 6.816 12.858) 14.786 4.776 ( 14.213 18.375 12.955) 26.599 5.278 ( 0.319 -3.297 -6.451) 7.252 5.369 ( -15.252 3.701 -0.887) 15.720 5.716 ( 8.655 -1.019 -9.043) 12.559 6.251 ( -0.498 -3.839 -12.050) 12.657 6.711 ( 13.842 13.627 -10.613) 22.134 6.902 ( 7.803 -16.317 -18.534) 25.897 7.439 ( 9.121 -0.810 -16.721) 19.064 8.025 ( -7.829 -9.062 -23.412) 26.297 10.304 ( 6.082 -5.656 -2.633) 8.713 10.544 ( 4.579 -2.565 -1.797) 5.547 10.770 ( 9.419 -4.010 -5.194) 11.479 11.277 ( -1.888 -7.026 2.161) 7.589 11.546 ( -4.923 0.925 -3.120) 5.901 11.735 ( -4.880 -1.036 -0.950) 5.078 12.074 ( -8.935 0.751 0.893) 9.011 12.313 ( -11.571 -2.215 -4.176) 12.500 12.381 ( -3.869 -3.275 -5.396) 7.403 12.789 ( 4.191 3.783 9.357) 10.928 12.908 ( -3.668 0.432 2.792) 4.630 13.302 ( 1.295 -10.765 5.154) 12.006 13.617 ( 7.743 -0.531 2.690) 8.214 13.838 ( 4.022 -5.234 2.223) 6.965 14.025 ( 6.067 -1.140 -0.005) 6.173 14.236 ( -2.580 2.927 6.783) 7.825 14.402 ( 1.876 0.281 1.290) 2.295 14.758 ( -4.211 -2.016 1.326) 4.853 15.037 ( -4.029 -0.566 5.648) 6.960 15.429 ( -7.478 3.101 1.166) 8.180 15.737 ( -3.638 -0.985 0.159) 3.773 16.421 ( 7.752 2.168 -2.313) 8.375 17.197 ( -4.700 3.726 5.153) 7.907 17.426 ( 0.524 4.576 7.889) 9.135 17.794 ( -5.797 -0.680 8.727) 10.499 18.081 ( -4.742 2.372 2.920) 6.053 18.505 ( 3.316 -1.631 -1.165) 3.875 18.876 ( 2.749 4.391 -4.566) 6.905 27.259 ( 1.782 2.046 1.864) 3.292 27.386 ( -0.532 1.296 1.343) 1.940 29.735 ( 1.286 -0.612 4.656) 4.869 29.844 ( -2.302 -0.426 3.773) 4.440 30.153 ( -0.872 3.166 6.082) 6.912 30.680 ( -5.476 3.668 10.252) 12.188 31.207 ( 17.521 -5.005 -2.316) 18.369 32.427 ( -10.496 -0.309 -11.000) 15.208 ======================= Grid point 219 (74/180) ======================= q-point: ( 0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 21.841 15.931 19.848) 33.537 3.444 ( 28.545 11.716 20.940) 37.290 4.108 ( -22.636 3.121 6.823) 23.847 4.787 ( -29.946 4.477 10.539) 32.060 5.347 ( 14.972 6.945 0.909) 16.529 5.493 ( 21.803 5.754 0.364) 22.553 5.840 ( 1.361 -0.971 -16.023) 16.110 6.230 ( -3.207 0.442 -7.377) 8.056 7.017 ( 14.234 -8.732 -7.871) 18.461 7.114 ( 12.686 0.284 -18.818) 22.696 7.533 ( -0.242 1.155 -15.287) 15.332 7.829 ( -11.154 -1.627 -22.982) 25.597 10.466 ( 8.820 -4.936 1.725) 10.253 10.674 ( 7.252 -7.971 2.711) 11.112 10.935 ( 4.299 1.017 -3.385) 5.566 11.211 ( 0.876 -0.849 5.816) 5.943 11.492 ( -4.385 -0.725 -0.775) 4.512 11.646 ( -4.171 -0.814 -4.442) 6.148 11.841 ( -11.209 -0.488 -7.894) 13.718 12.061 ( -9.912 6.964 -8.345) 14.710 12.372 ( 1.510 -8.136 -1.522) 8.414 12.737 ( -6.713 -0.037 3.688) 7.659 12.995 ( 9.351 -5.175 4.146) 11.463 13.299 ( -1.931 -13.574 2.203) 13.886 13.754 ( 4.823 1.365 3.380) 6.046 13.900 ( 1.350 -1.955 1.862) 3.019 14.082 ( 0.323 2.329 2.622) 3.522 14.226 ( 4.053 -0.926 4.913) 6.436 14.379 ( -4.809 1.217 3.609) 6.134 14.679 ( -5.893 -4.108 0.941) 7.245 14.969 ( 0.035 -3.730 5.907) 6.986 15.301 ( -4.330 2.555 6.257) 8.026 15.715 ( 0.513 1.304 -2.515) 2.879 16.550 ( 3.976 9.819 0.607) 10.611 17.143 ( 0.490 -4.031 3.623) 5.443 17.456 ( 0.803 4.452 3.963) 6.014 17.673 ( -4.834 -0.679 7.554) 8.994 17.961 ( -5.786 5.638 6.234) 10.204 18.586 ( 3.717 -2.535 -2.758) 5.277 18.906 ( 0.348 2.866 -3.094) 4.231 27.297 ( 1.737 1.888 1.604) 3.026 27.373 ( -0.730 1.755 1.730) 2.570 29.736 ( -0.685 -0.711 4.981) 5.078 29.790 ( -2.406 -1.815 4.090) 5.081 30.204 ( 4.884 4.763 6.355) 9.323 30.548 ( -6.944 4.048 8.991) 12.061 31.564 ( 16.763 -4.009 -4.869) 17.910 32.189 ( -12.539 -1.619 -8.620) 15.302 ======================= Grid point 220 (75/180) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( 0.000 8.351 10.373) 13.317 3.639 ( -0.000 9.931 12.841) 16.233 4.144 ( -0.001 7.306 17.790) 19.232 4.150 ( 0.001 8.338 14.705) 16.905 5.446 ( -0.000 -3.257 -13.749) 14.129 5.811 ( -0.000 2.460 -13.806) 14.023 5.976 ( -0.000 3.184 4.070) 5.168 6.051 ( 0.000 5.817 -3.821) 6.960 7.245 ( 0.000 -12.425 -11.184) 16.717 7.259 ( -0.000 -10.597 -5.301) 11.849 7.522 ( -0.000 8.214 -21.886) 23.377 7.636 ( -0.000 8.634 -24.647) 26.115 10.592 ( -0.000 -5.398 7.324) 9.099 10.749 ( 0.000 -13.256 -3.462) 13.701 10.959 ( 0.000 3.836 11.204) 11.843 11.331 ( 0.000 1.924 -0.131) 1.929 11.413 ( 0.000 1.319 1.297) 1.850 11.481 ( 0.000 1.228 -4.272) 4.445 11.767 ( 0.000 -2.791 -15.421) 15.671 11.945 ( 0.000 8.392 -10.779) 13.660 12.407 ( -0.000 -7.353 0.636) 7.380 12.642 ( 0.000 -2.147 1.876) 2.851 13.156 ( 0.000 -10.195 0.644) 10.215 13.228 ( -0.000 -12.663 2.672) 12.942 13.803 ( -0.000 3.305 3.166) 4.577 13.897 ( 0.000 0.654 5.105) 5.146 14.117 ( 0.000 0.546 4.181) 4.217 14.286 ( -0.000 3.215 4.150) 5.250 14.305 ( 0.000 -0.832 0.724) 1.103 14.577 ( 0.000 -7.999 3.532) 8.744 14.993 ( -0.000 -4.478 4.052) 6.040 15.255 ( 0.000 2.822 8.292) 8.759 15.725 ( 0.000 2.048 -3.100) 3.716 16.585 ( 0.000 12.617 4.084) 13.262 17.176 ( 0.000 -7.600 -0.516) 7.617 17.440 ( 0.000 4.041 3.442) 5.308 17.633 ( 0.000 -0.911 5.190) 5.270 17.891 ( -0.000 8.076 9.707) 12.628 18.629 ( 0.000 -2.660 -3.861) 4.689 18.905 ( 0.000 2.152 -1.920) 2.884 27.319 ( 0.000 1.672 1.307) 2.122 27.362 ( 0.000 2.102 2.092) 2.965 29.726 ( 0.000 -0.671 4.901) 4.947 29.763 ( 0.000 -1.769 4.554) 4.885 30.288 ( 0.000 4.762 6.360) 7.945 30.444 ( -0.000 4.325 8.524) 9.558 31.843 ( 0.000 -3.117 -7.751) 8.354 31.954 ( -0.000 -2.753 -5.790) 6.411 ======================= Grid point 225 (76/180) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 0.000 21.568 24.399) 32.566 2.746 ( 0.000 20.055 34.907) 40.258 4.410 ( 0.000 19.478 13.730) 23.831 4.881 ( 0.000 0.141 4.451) 4.453 4.968 ( 0.000 -5.110 5.006) 7.153 5.454 ( 0.000 0.057 1.388) 1.389 6.067 ( 0.000 3.114 -15.691) 15.997 6.225 ( 0.000 5.956 1.424) 6.124 6.324 ( 0.000 -4.240 -18.834) 19.306 6.868 ( 0.000 -11.978 -13.883) 18.336 7.013 ( 0.000 17.628 -8.544) 19.589 7.843 ( 0.000 -20.640 -22.149) 30.275 10.153 ( 0.000 -2.534 -12.981) 13.226 10.344 ( 0.000 1.597 -9.096) 9.235 10.552 ( 0.000 -0.939 -4.412) 4.510 10.958 ( 0.000 -10.672 -10.758) 15.153 11.772 ( 0.000 -2.080 2.399) 3.175 11.927 ( 0.000 2.369 0.891) 2.531 12.205 ( 0.000 -3.002 -2.410) 3.850 12.324 ( 0.000 -10.223 -4.750) 11.273 12.420 ( 0.000 -11.909 -13.859) 18.273 12.895 ( 0.000 -12.576 7.628) 14.708 13.046 ( 0.000 12.713 20.215) 23.881 13.277 ( 0.000 15.132 4.744) 15.858 13.430 ( 0.000 -4.593 0.090) 4.594 13.515 ( 0.000 -6.725 10.747) 12.678 13.881 ( 0.000 3.395 -2.659) 4.313 14.039 ( 0.000 -0.736 7.060) 7.099 14.609 ( 0.000 4.197 -3.275) 5.324 14.935 ( 0.000 -3.970 2.299) 4.588 15.008 ( 0.000 -2.113 2.415) 3.209 15.628 ( 0.000 0.205 -4.173) 4.178 15.870 ( 0.000 0.091 0.556) 0.563 16.086 ( 0.000 -7.474 8.204) 11.098 17.450 ( 0.000 9.669 6.651) 11.736 17.709 ( 0.000 4.992 6.339) 8.068 17.888 ( 0.000 1.997 8.070) 8.313 18.106 ( 0.000 -3.242 6.844) 7.573 18.482 ( 0.000 0.337 -2.053) 2.081 18.883 ( 0.000 6.558 -7.882) 10.254 27.257 ( 0.000 1.653 1.946) 2.553 27.419 ( 0.000 1.277 0.741) 1.477 29.694 ( 0.000 3.288 4.444) 5.528 29.935 ( 0.000 3.158 5.780) 6.587 30.373 ( 0.000 -1.664 11.153) 11.277 30.549 ( 0.000 -3.715 -5.056) 6.274 30.826 ( 0.000 1.249 16.920) 16.966 32.680 ( 0.000 -0.485 -16.822) 16.829 ======================= Grid point 226 (77/180) ======================= q-point: ( 0.12 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 7.414 22.317 29.415) 37.660 2.915 ( 12.557 19.875 26.597) 35.498 4.488 ( 5.525 4.887 9.128) 11.736 4.937 ( 2.835 10.519 7.751) 13.370 5.070 ( 12.224 -1.678 3.593) 12.851 5.430 ( -1.759 -1.886 -0.894) 2.729 5.935 ( -14.124 5.878 -2.308) 15.471 6.152 ( 3.624 -1.183 -9.233) 9.989 6.518 ( 8.515 -5.633 -19.777) 22.256 6.838 ( -0.058 7.016 -7.092) 9.976 7.164 ( 12.549 3.595 -15.475) 20.245 7.841 ( -0.489 -17.949 -21.215) 27.794 10.133 ( 0.002 -3.426 -9.219) 9.835 10.422 ( 3.090 -1.930 -4.900) 6.106 10.568 ( 5.197 1.161 -8.907) 10.377 11.036 ( 6.078 -9.816 -8.978) 14.625 11.707 ( -6.192 -0.372 -0.057) 6.203 11.837 ( -7.357 -1.042 0.569) 7.452 12.131 ( -4.380 -5.377 -2.303) 7.307 12.298 ( -3.557 -7.049 -3.421) 8.606 12.428 ( -1.199 -8.276 -12.375) 14.936 12.844 ( -2.170 -3.740 9.809) 10.719 13.096 ( 2.182 5.601 12.304) 13.694 13.252 ( -4.447 12.627 4.007) 13.974 13.460 ( 5.693 -1.545 4.109) 7.189 13.596 ( 5.602 -6.834 6.257) 10.827 13.870 ( 1.963 -1.979 2.100) 3.490 14.176 ( 9.921 1.240 5.151) 11.247 14.518 ( -8.238 2.735 -2.802) 9.122 14.823 ( -7.295 -4.442 1.415) 8.658 15.046 ( 0.347 -2.876 5.468) 6.188 15.560 ( -5.800 -1.105 -0.159) 5.907 15.862 ( -2.000 2.647 0.325) 3.333 16.168 ( 8.608 -5.716 2.085) 10.541 17.453 ( -0.811 10.200 4.299) 11.098 17.586 ( -8.432 4.770 8.998) 13.222 17.881 ( -2.588 0.586 9.139) 9.516 18.104 ( 0.045 -3.045 5.175) 6.004 18.490 ( 0.761 1.895 -2.189) 2.994 18.908 ( 1.990 4.978 -7.001) 8.818 27.267 ( 0.969 1.611 1.929) 2.693 27.418 ( -0.089 1.396 0.893) 1.660 29.712 ( 1.411 2.006 4.883) 5.464 29.914 ( -2.208 2.125 5.537) 6.329 30.253 ( -5.365 0.706 8.396) 9.989 30.728 ( 5.891 -7.781 7.729) 12.449 30.845 ( 7.245 4.621 5.816) 10.377 32.609 ( -6.714 -0.283 -16.163) 17.504 ======================= Grid point 227 (78/180) ======================= q-point: ( 0.25 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 14.679 23.387 24.232) 36.737 3.233 ( 18.344 17.431 23.706) 34.675 4.462 ( -9.127 -5.810 4.575) 11.747 5.152 ( 7.930 5.663 2.948) 10.181 5.226 ( 7.801 8.114 5.991) 12.751 5.405 ( -5.075 2.316 -1.926) 5.902 5.761 ( 4.805 2.614 2.136) 5.872 6.239 ( 3.420 3.171 -9.447) 10.536 6.582 ( 0.924 -13.546 -12.106) 18.191 6.991 ( 12.381 10.713 -15.675) 22.666 7.422 ( 10.349 -0.006 -14.795) 18.055 7.828 ( -0.059 -9.511 -22.400) 24.335 10.181 ( 4.521 -6.757 -5.196) 9.649 10.447 ( 1.859 -4.954 3.098) 6.132 10.778 ( 12.207 3.265 -10.236) 16.262 11.138 ( 2.674 -7.310 -1.508) 7.929 11.573 ( -4.605 1.085 -4.348) 6.425 11.680 ( -7.438 -4.494 -2.249) 8.976 12.050 ( -4.512 -4.653 -3.783) 7.505 12.164 ( -8.498 -6.381 -4.307) 11.467 12.370 ( -3.303 -1.632 -9.295) 9.998 12.848 ( 2.380 -0.254 7.124) 7.515 13.048 ( -8.476 11.770 0.161) 14.506 13.158 ( -2.622 0.041 7.736) 8.169 13.618 ( 8.456 0.123 4.988) 9.818 13.715 ( 5.839 -6.586 2.983) 9.294 13.975 ( 7.003 -4.603 3.747) 9.179 14.301 ( -8.374 2.084 4.575) 9.768 14.381 ( 4.922 -2.171 1.677) 5.634 14.681 ( -5.794 -5.152 2.563) 8.166 14.991 ( -5.571 -3.454 8.590) 10.805 15.409 ( -7.889 -2.687 7.649) 11.312 15.831 ( -0.029 8.199 -5.355) 9.793 16.397 ( 12.422 -3.945 -3.571) 13.514 17.308 ( -10.581 6.865 4.759) 13.481 17.536 ( 1.858 6.914 9.010) 11.508 17.782 ( -6.553 -0.981 7.389) 9.924 18.090 ( -1.701 -1.676 4.631) 5.210 18.521 ( 2.302 3.296 -1.841) 4.422 18.942 ( 0.884 2.336 -4.985) 5.575 27.295 ( 1.749 1.588 1.836) 2.992 27.415 ( -0.223 1.620 1.234) 2.049 29.733 ( 0.384 0.231 5.709) 5.727 29.847 ( -3.795 0.689 6.029) 7.157 30.211 ( 1.055 3.132 9.454) 10.015 30.693 ( -4.774 -3.073 15.407) 16.420 31.153 ( 17.646 -0.007 -5.913) 18.610 32.421 ( -11.075 -0.198 -14.646) 18.363 ======================= Grid point 228 (79/180) ======================= q-point: ( 0.38 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( 15.904 20.613 18.457) 31.914 3.667 ( 22.465 11.781 18.491) 31.391 4.204 ( -13.031 6.648 11.290) 18.479 4.848 ( -24.620 3.162 10.011) 26.765 5.322 ( 1.569 -4.910 -17.815) 18.546 5.653 ( 14.798 1.650 0.612) 14.902 5.919 ( 8.453 8.933 0.061) 12.299 6.307 ( 1.496 7.492 -7.742) 10.877 6.680 ( 10.259 -16.533 -2.659) 19.638 7.151 ( -0.935 -6.948 -10.099) 12.294 7.586 ( 8.289 7.676 -18.839) 21.967 7.849 ( 0.681 3.379 -27.344) 27.560 10.302 ( 6.921 -10.590 -1.360) 12.724 10.512 ( 2.612 -7.226 7.734) 10.902 10.954 ( 3.040 0.315 1.886) 3.592 11.207 ( 7.264 -0.732 4.621) 8.640 11.493 ( -5.352 -0.466 -5.706) 7.837 11.601 ( 1.138 -3.019 -11.637) 12.076 11.852 ( -12.866 1.063 -7.458) 14.909 12.073 ( -1.297 -6.790 -5.331) 8.729 12.328 ( 0.153 4.776 -8.659) 9.890 12.814 ( -12.647 7.828 -2.454) 15.074 12.926 ( 4.672 -2.278 2.551) 5.790 13.102 ( -3.270 -4.822 2.622) 6.389 13.775 ( 6.237 -0.384 5.242) 8.157 13.831 ( 4.993 -4.352 0.890) 6.683 14.087 ( -0.663 -2.170 1.696) 2.832 14.177 ( 2.958 -5.496 7.785) 9.978 14.391 ( -3.802 -0.941 3.301) 5.122 14.573 ( -8.049 -3.754 9.241) 12.817 14.895 ( -0.736 -3.254 8.391) 9.030 15.280 ( -4.401 -3.585 12.083) 13.350 15.856 ( 1.838 11.166 -9.204) 14.586 16.630 ( 8.974 -2.255 -3.575) 9.920 17.131 ( -5.384 3.552 4.102) 7.644 17.575 ( -0.043 7.519 5.294) 9.196 17.639 ( -5.167 -2.764 5.025) 7.720 18.044 ( -2.247 2.225 7.513) 8.151 18.577 ( 2.783 2.107 -2.540) 4.316 18.940 ( -0.817 0.570 -2.473) 2.666 27.333 ( 1.768 1.760 1.598) 2.962 27.407 ( -0.536 1.698 1.651) 2.429 29.730 ( -0.345 -0.020 6.381) 6.391 29.778 ( -2.677 0.584 7.085) 7.597 30.275 ( 4.693 2.733 10.389) 11.723 30.575 ( -6.321 -1.490 13.991) 15.425 31.517 ( 17.282 -0.672 -8.861) 19.433 32.167 ( -13.512 -0.605 -12.762) 18.596 ======================= Grid point 229 (80/180) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 0.000 13.988 12.709) 18.899 3.849 ( -0.000 11.502 15.175) 19.041 4.296 ( -0.000 9.499 17.504) 19.916 4.331 ( 0.000 11.151 13.504) 17.513 5.350 ( -0.000 -7.129 -19.474) 20.738 5.747 ( -0.000 -7.622 -12.211) 14.395 6.126 ( -0.000 8.058 -1.156) 8.141 6.253 ( 0.000 13.808 -0.566) 13.819 6.949 ( 0.000 -14.686 -1.230) 14.737 6.978 ( -0.000 -17.211 -1.341) 17.264 7.732 ( -0.000 11.662 -27.307) 29.693 7.820 ( 0.000 9.360 -26.395) 28.005 10.425 ( -0.000 -10.354 7.939) 13.047 10.493 ( 0.000 -12.137 -0.720) 12.159 10.991 ( -0.000 -0.202 15.835) 15.836 11.293 ( 0.000 -4.545 6.257) 7.734 11.513 ( 0.000 1.611 -14.903) 14.990 11.547 ( -0.000 8.517 -3.990) 9.405 11.697 ( 0.000 -3.162 -16.546) 16.846 12.057 ( 0.000 -2.688 -6.050) 6.620 12.366 ( -0.000 8.689 -7.039) 11.182 12.633 ( 0.000 1.081 -5.326) 5.434 13.019 ( 0.000 -7.270 1.093) 7.352 13.027 ( -0.000 -3.376 -0.595) 3.428 13.865 ( -0.000 1.698 2.367) 2.913 13.865 ( 0.000 -3.930 2.263) 4.534 14.056 ( 0.000 -6.228 4.621) 7.755 14.320 ( 0.000 -7.169 3.882) 8.152 14.347 ( -0.000 4.389 5.754) 7.237 14.369 ( 0.000 -4.382 12.733) 13.466 14.914 ( -0.000 -3.215 8.415) 9.008 15.232 ( 0.000 -4.409 13.405) 14.111 15.879 ( 0.000 12.066 -10.258) 15.837 16.723 ( 0.000 -0.409 0.868) 0.960 17.091 ( -0.000 0.907 -1.450) 1.710 17.517 ( 0.000 0.761 3.423) 3.507 17.629 ( 0.000 3.343 4.672) 5.745 18.017 ( -0.000 4.259 9.905) 10.782 18.611 ( 0.000 1.322 -3.572) 3.809 18.927 ( 0.000 -0.057 -0.951) 0.953 27.356 ( 0.000 2.030 1.262) 2.390 27.398 ( 0.000 1.549 2.050) 2.569 29.729 ( -0.000 0.871 7.250) 7.302 29.746 ( 0.000 -0.057 6.896) 6.896 30.357 ( 0.000 2.140 10.722) 10.934 30.477 ( -0.000 -0.832 13.411) 13.437 31.816 ( 0.000 0.238 -12.207) 12.210 31.908 ( -0.000 -1.866 -9.710) 9.888 ======================= Grid point 234 (81/180) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 0.000 13.700 20.991) 25.066 3.186 ( 0.000 24.932 22.476) 33.567 4.214 ( 0.000 -23.815 -2.559) 23.952 4.794 ( 0.000 -6.871 10.108) 12.222 5.248 ( 0.000 18.701 16.757) 25.110 5.532 ( 0.000 6.930 -0.108) 6.931 5.959 ( 0.000 -9.070 -7.475) 11.754 6.288 ( 0.000 -2.721 -19.471) 19.660 6.464 ( 0.000 13.569 7.931) 15.717 6.693 ( 0.000 -3.352 -13.890) 14.289 7.336 ( 0.000 13.546 -11.051) 17.482 7.451 ( 0.000 -18.651 -18.537) 26.296 10.138 ( 0.000 0.667 -13.646) 13.662 10.430 ( 0.000 6.700 -13.541) 15.108 10.536 ( 0.000 -0.905 -1.697) 1.923 10.761 ( 0.000 -9.814 -14.133) 17.206 11.767 ( 0.000 1.557 -6.764) 6.941 11.964 ( 0.000 1.462 0.362) 1.506 12.076 ( 0.000 -12.507 -5.183) 13.538 12.149 ( 0.000 -2.427 -2.299) 3.343 12.284 ( 0.000 -3.557 -11.390) 11.933 12.702 ( 0.000 -7.951 4.961) 9.372 13.218 ( 0.000 5.753 19.346) 20.184 13.293 ( 0.000 -7.496 -0.089) 7.496 13.354 ( 0.000 -4.264 15.134) 15.724 13.623 ( 0.000 14.127 4.761) 14.908 13.958 ( 0.000 3.611 -1.933) 4.096 14.001 ( 0.000 -3.660 6.278) 7.267 14.673 ( 0.000 2.327 -5.802) 6.252 14.864 ( 0.000 -3.150 2.911) 4.289 14.941 ( 0.000 -3.455 2.703) 4.387 15.629 ( 0.000 -0.015 -3.935) 3.935 15.863 ( 0.000 -1.678 -3.325) 3.724 16.013 ( 0.000 -0.133 13.215) 13.215 17.614 ( 0.000 7.059 12.435) 14.299 17.787 ( 0.000 2.938 5.542) 6.273 17.925 ( 0.000 1.364 10.883) 10.968 18.033 ( 0.000 -3.741 5.433) 6.597 18.488 ( 0.000 0.181 -2.174) 2.182 18.985 ( 0.000 3.761 -10.921) 11.550 27.280 ( 0.000 0.755 1.889) 2.034 27.443 ( 0.000 1.055 0.539) 1.185 29.750 ( 0.000 2.364 3.900) 4.560 29.990 ( 0.000 2.337 6.191) 6.617 30.337 ( 0.000 -1.794 11.085) 11.229 30.486 ( 0.000 -2.625 -4.253) 4.998 30.855 ( 0.000 1.460 18.368) 18.426 32.670 ( 0.000 -0.480 -17.280) 17.287 ======================= Grid point 235 (82/180) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 9.653 17.099 20.510) 28.394 3.290 ( 10.015 21.104 21.140) 31.505 4.219 ( 0.981 -22.197 -0.398) 22.222 4.949 ( 13.154 -6.677 8.353) 16.952 5.297 ( 3.881 14.181 10.388) 18.002 5.494 ( -3.399 7.622 3.624) 9.098 5.935 ( -4.658 -5.306 -8.441) 11.005 6.231 ( -1.918 7.488 -0.930) 7.785 6.402 ( -0.001 -5.907 -9.791) 11.435 6.923 ( 12.860 5.516 -10.766) 17.655 7.280 ( 0.184 -1.937 -17.443) 17.551 7.574 ( 8.248 -3.746 -15.921) 18.318 10.095 ( -2.703 -0.863 -11.491) 11.836 10.417 ( -1.896 1.454 -2.275) 3.299 10.621 ( 9.191 3.549 -10.698) 14.543 10.856 ( 7.208 -8.839 -12.381) 16.834 11.705 ( -6.438 -0.194 -1.732) 6.670 11.791 ( -10.425 -3.007 -4.285) 11.665 12.049 ( -5.102 -2.602 -5.995) 8.291 12.150 ( 0.019 -6.670 -4.652) 8.132 12.308 ( 0.996 -4.227 -10.539) 11.399 12.746 ( 3.534 -4.109 6.518) 8.477 13.231 ( 0.167 6.084 15.969) 17.089 13.318 ( 2.562 -3.629 1.217) 4.605 13.443 ( 7.286 -5.137 11.089) 14.228 13.637 ( 1.089 13.401 4.937) 14.323 13.835 ( -4.248 -1.458 2.929) 5.361 14.163 ( 8.498 -2.981 3.665) 9.723 14.568 ( -10.055 2.735 -3.879) 11.119 14.725 ( -8.148 -5.352 -0.399) 9.757 14.986 ( 0.445 -2.472 7.588) 7.993 15.543 ( -7.297 -0.524 0.609) 7.341 15.906 ( 3.283 1.107 -4.544) 5.714 16.097 ( 7.890 -1.397 7.470) 10.955 17.617 ( -1.380 5.950 10.450) 12.104 17.682 ( -7.015 5.677 7.097) 11.480 17.886 ( -4.514 -0.359 9.376) 10.412 18.026 ( -0.269 -4.530 4.443) 6.351 18.533 ( 3.671 2.082 -1.385) 4.441 18.982 ( -0.426 2.568 -9.461) 9.813 27.289 ( 0.922 0.730 1.944) 2.272 27.444 ( 0.054 1.114 0.667) 1.299 29.747 ( -0.319 1.442 4.683) 4.910 29.947 ( -3.720 1.205 6.425) 7.521 30.287 ( -1.717 2.897 9.815) 10.377 30.578 ( 3.737 -7.393 6.020) 10.240 30.924 ( 8.157 3.179 8.414) 12.143 32.602 ( -6.435 -0.328 -17.034) 18.212 ======================= Grid point 236 (83/180) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( 13.839 19.496 18.004) 29.930 3.560 ( 15.270 16.446 18.821) 29.290 4.259 ( 2.446 -15.123 4.894) 16.082 5.192 ( 0.254 1.640 2.318) 2.851 5.271 ( -0.015 1.182 -0.145) 1.191 5.536 ( 4.298 3.277 5.309) 7.576 5.778 ( -2.524 -0.455 1.464) 2.954 6.314 ( 4.295 1.501 -4.176) 6.176 6.428 ( 4.837 -0.834 -4.323) 6.541 7.044 ( -0.636 -3.558 -12.549) 13.059 7.452 ( 14.381 1.167 -19.922) 24.598 7.763 ( 9.944 3.387 -21.133) 23.600 10.068 ( 0.480 -4.491 -8.266) 9.419 10.404 ( 0.916 0.230 5.374) 5.456 10.847 ( 10.857 3.139 -8.158) 13.938 11.001 ( 6.468 -6.547 -5.202) 10.572 11.517 ( -8.602 -6.183 1.460) 10.694 11.638 ( -5.228 0.646 -9.233) 10.630 11.943 ( -4.732 -4.796 -12.112) 13.860 12.083 ( -5.952 -2.705 -7.469) 9.926 12.338 ( 2.519 -1.286 -6.642) 7.219 12.816 ( 3.005 -1.482 5.335) 6.300 13.192 ( -4.178 5.833 8.959) 11.478 13.326 ( -5.152 9.693 -1.177) 11.041 13.583 ( 5.393 -4.957 6.035) 9.491 13.671 ( 4.301 4.310 4.429) 7.529 13.860 ( 6.038 -5.758 6.861) 10.802 14.206 ( -8.787 -9.567 -0.127) 12.991 14.414 ( -0.013 3.883 3.849) 5.468 14.583 ( -4.490 -4.907 2.642) 7.157 14.942 ( -4.375 -1.378 10.830) 11.761 15.367 ( -9.035 -1.601 6.979) 11.528 15.989 ( 4.686 7.689 -6.709) 11.229 16.299 ( 10.849 -5.665 -0.408) 12.246 17.432 ( -11.280 5.566 5.581) 13.761 17.672 ( 1.150 6.057 9.881) 11.647 17.756 ( -7.082 -0.919 5.363) 8.931 18.025 ( 0.194 -4.560 5.124) 6.862 18.608 ( 3.231 4.781 -0.703) 5.813 18.963 ( -1.469 -0.007 -6.236) 6.407 27.318 ( 1.849 0.760 1.985) 2.817 27.443 ( -0.153 1.176 0.978) 1.537 29.738 ( -0.496 0.176 6.209) 6.231 29.866 ( -3.712 0.984 8.027) 8.899 30.284 ( 1.040 4.707 11.526) 12.494 30.579 ( -2.648 -7.611 14.922) 16.959 31.187 ( 15.838 2.374 -5.125) 16.815 32.419 ( -11.004 -0.076 -16.356) 19.713 ======================= Grid point 237 (84/180) ======================= q-point: ( 0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( 11.188 16.796 15.711) 25.576 3.889 ( 14.893 10.382 13.566) 22.664 4.311 ( 3.922 2.271 13.955) 14.673 4.951 ( -17.360 9.142 9.749) 21.909 5.252 ( -4.026 -1.582 -15.036) 15.646 5.557 ( 0.083 -9.884 -3.262) 10.409 5.973 ( 14.170 -5.121 1.876) 15.183 6.369 ( 3.133 -2.365 2.242) 4.521 6.586 ( 7.898 6.100 -4.553) 10.968 6.953 ( -7.522 -9.032 -5.536) 12.993 7.753 ( 13.313 6.854 -25.675) 29.723 7.940 ( 5.802 5.603 -26.624) 27.819 10.125 ( 5.294 -6.841 -3.611) 9.374 10.411 ( -2.236 -3.325 6.481) 7.620 10.959 ( 1.187 0.944 7.176) 7.334 11.145 ( 5.397 -5.953 8.070) 11.388 11.446 ( 2.513 -2.887 -9.869) 10.585 11.581 ( -0.013 0.365 -14.753) 14.758 11.844 ( -5.780 -2.203 -11.974) 13.478 11.963 ( -4.077 -2.829 -7.081) 8.647 12.428 ( 6.947 4.373 -7.203) 10.921 12.867 ( 1.302 -0.713 1.438) 2.067 13.039 ( -12.630 10.062 -2.536) 16.346 13.118 ( -9.572 5.748 -0.145) 11.166 13.690 ( 4.764 -6.629 1.900) 8.381 13.783 ( 4.570 -2.730 1.620) 5.564 14.004 ( 3.057 -7.107 5.182) 9.312 14.025 ( -1.947 -5.624 4.796) 7.643 14.372 ( -2.836 -0.417 4.218) 5.100 14.546 ( -3.790 -0.623 14.702) 15.195 14.869 ( -0.272 0.565 10.070) 10.089 15.201 ( -6.678 -3.975 10.948) 13.426 16.084 ( 3.970 11.964 -8.024) 14.942 16.506 ( 8.278 -9.143 -4.112) 13.001 17.242 ( -6.101 6.579 3.731) 9.717 17.559 ( -8.385 -4.618 1.542) 9.696 17.739 ( 2.196 8.477 7.952) 11.829 18.030 ( 0.164 -3.457 7.438) 8.204 18.662 ( 2.027 5.807 -1.373) 6.303 18.924 ( -2.078 -2.215 -2.725) 4.080 27.361 ( 2.150 1.018 1.822) 2.996 27.435 ( -0.758 1.045 1.383) 1.891 29.733 ( 0.257 0.292 7.823) 7.832 29.800 ( -2.722 1.282 9.365) 9.837 30.323 ( 2.703 2.705 13.142) 13.687 30.503 ( -4.317 -5.298 15.732) 17.153 31.528 ( 16.715 1.216 -10.629) 19.845 32.163 ( -13.665 0.078 -15.204) 20.442 ======================= Grid point 238 (85/180) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.856 ( 0.000 12.719 12.283) 17.681 4.034 ( -0.000 6.035 14.162) 15.394 4.531 ( -0.000 14.573 17.199) 22.543 4.573 ( 0.000 12.798 13.053) 18.280 5.214 ( 0.000 -5.146 -17.816) 18.545 5.546 ( -0.000 -13.652 -8.621) 16.146 6.153 ( 0.000 -3.560 -2.672) 4.451 6.412 ( 0.000 -5.308 5.353) 7.539 6.721 ( -0.000 -2.181 -5.281) 5.714 6.802 ( 0.000 -0.851 0.119) 0.859 7.932 ( -0.000 8.400 -28.754) 29.956 7.971 ( 0.000 5.896 -27.878) 28.495 10.257 ( -0.000 -6.089 4.655) 7.665 10.305 ( 0.000 -7.445 -0.940) 7.504 10.983 ( -0.000 0.333 16.867) 16.870 11.170 ( 0.000 -7.757 10.277) 12.876 11.539 ( -0.000 1.160 -17.282) 17.321 11.589 ( 0.000 -1.883 -16.376) 16.484 11.745 ( 0.000 5.414 -5.668) 7.838 11.929 ( 0.000 -6.883 -6.517) 9.478 12.625 ( -0.000 13.146 -7.389) 15.080 12.694 ( 0.000 5.170 -5.771) 7.748 12.957 ( 0.000 -0.064 -2.491) 2.492 13.000 ( 0.000 -0.213 -2.825) 2.833 13.750 ( -0.000 -7.164 -0.087) 7.164 13.820 ( -0.000 -7.344 -1.245) 7.449 13.964 ( 0.000 -0.947 4.861) 4.953 14.103 ( 0.000 -8.908 7.042) 11.355 14.392 ( -0.000 1.703 13.638) 13.744 14.417 ( 0.000 1.995 11.700) 11.869 14.898 ( -0.000 2.095 10.769) 10.971 15.119 ( 0.000 -6.837 12.103) 13.901 16.129 ( 0.000 13.275 -8.519) 15.773 16.597 ( 0.000 -10.262 -3.133) 10.730 17.190 ( -0.000 7.227 -0.328) 7.235 17.452 ( 0.000 -5.567 1.500) 5.766 17.767 ( 0.000 8.783 6.496) 10.924 18.031 ( 0.000 -2.830 9.209) 9.634 18.685 ( 0.000 5.936 -2.499) 6.440 18.897 ( 0.000 -3.181 -0.669) 3.251 27.392 ( 0.000 1.654 1.394) 2.163 27.418 ( -0.000 0.475 1.882) 1.941 29.752 ( -0.000 1.208 9.267) 9.345 29.756 ( 0.000 0.832 9.051) 9.090 30.375 ( 0.000 0.215 13.840) 13.841 30.433 ( -0.000 -3.008 15.462) 15.752 31.839 ( 0.000 1.726 -14.217) 14.321 31.884 ( -0.000 -0.779 -12.716) 12.740 ======================= Grid point 243 (86/180) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( 0.000 -0.000 20.001) 20.001 3.597 ( 0.000 -0.000 22.546) 22.546 3.808 ( 0.000 0.000 -6.183) 6.183 4.714 ( 0.000 0.000 11.102) 11.102 5.456 ( 0.000 -0.000 16.335) 16.335 5.626 ( 0.000 -0.000 0.812) 0.812 5.836 ( 0.000 0.000 -7.963) 7.963 6.224 ( 0.000 0.000 -17.103) 17.103 6.616 ( 0.000 0.000 12.435) 12.435 6.712 ( 0.000 -0.000 -18.269) 18.269 7.234 ( 0.000 0.000 -16.094) 16.094 7.471 ( 0.000 0.000 -12.684) 12.684 10.152 ( 0.000 0.000 -14.397) 14.397 10.523 ( 0.000 0.000 1.335) 1.335 10.576 ( 0.000 0.000 -6.401) 6.401 10.588 ( 0.000 -0.000 -23.910) 23.910 11.811 ( 0.000 0.000 -17.355) 17.355 11.922 ( 0.000 0.000 -0.054) 0.054 11.979 ( 0.000 0.000 0.262) 0.262 12.124 ( 0.000 0.000 -2.205) 2.205 12.258 ( 0.000 0.000 -11.277) 11.277 12.613 ( 0.000 0.000 5.445) 5.445 13.213 ( 0.000 0.000 0.055) 0.055 13.288 ( 0.000 0.000 16.958) 16.958 13.292 ( 0.000 -0.000 17.147) 17.147 13.817 ( 0.000 0.000 8.792) 8.792 13.916 ( 0.000 0.000 3.444) 3.444 13.995 ( 0.000 0.000 -1.738) 1.738 14.695 ( 0.000 0.000 -6.691) 6.691 14.831 ( 0.000 0.000 3.147) 3.147 14.905 ( 0.000 0.000 2.701) 2.701 15.629 ( 0.000 0.000 -3.849) 3.849 15.839 ( 0.000 0.000 -4.153) 4.153 16.022 ( 0.000 0.000 14.190) 14.190 17.692 ( 0.000 0.000 17.110) 17.110 17.816 ( 0.000 0.000 5.274) 5.274 17.930 ( 0.000 0.000 7.947) 7.947 17.995 ( 0.000 0.000 6.331) 6.331 18.489 ( 0.000 0.000 -2.228) 2.228 19.022 ( 0.000 0.000 -11.814) 11.814 27.287 ( 0.000 0.000 1.887) 1.887 27.454 ( 0.000 0.000 0.452) 0.452 29.775 ( 0.000 0.000 3.662) 3.662 30.014 ( 0.000 0.000 6.202) 6.202 30.317 ( 0.000 0.000 11.078) 11.078 30.459 ( 0.000 0.000 -3.918) 3.918 30.870 ( 0.000 0.000 18.838) 18.838 32.665 ( 0.000 0.000 -17.334) 17.334 ======================= Grid point 245 (87/180) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( 11.813 -0.000 19.911) 23.152 3.691 ( 8.928 -0.000 22.391) 24.105 3.816 ( 1.324 0.000 -5.253) 5.417 4.869 ( 13.556 0.000 9.172) 16.368 5.449 ( -0.605 -0.000 8.531) 8.553 5.588 ( -4.429 -0.000 4.625) 6.403 5.857 ( 0.411 0.000 -8.600) 8.610 6.257 ( 2.645 0.000 -9.561) 9.920 6.392 ( -6.663 -0.000 3.629) 7.588 7.051 ( 19.686 -0.000 -13.683) 23.975 7.126 ( -7.190 0.000 -15.760) 17.323 7.606 ( 9.942 0.000 -15.049) 18.036 10.088 ( -4.442 0.000 -12.525) 13.289 10.445 ( -2.994 0.000 0.755) 3.088 10.681 ( 8.570 -0.000 -4.892) 9.868 10.733 ( 9.442 0.000 -20.441) 22.516 11.700 ( -13.314 0.000 2.420) 13.532 11.758 ( -4.778 0.000 -13.570) 14.387 12.024 ( -7.069 0.000 -7.306) 10.166 12.086 ( 2.447 -0.000 -3.905) 4.609 12.266 ( 1.154 0.000 -9.330) 9.401 12.705 ( 6.153 0.000 5.634) 8.343 13.253 ( 2.933 0.000 3.858) 4.846 13.323 ( 3.479 0.000 13.011) 13.468 13.373 ( 7.220 -0.000 13.448) 15.263 13.810 ( -5.933 0.000 1.935) 6.240 13.821 ( 0.723 0.000 7.061) 7.098 14.102 ( 4.762 0.000 2.163) 5.230 14.631 ( -5.837 0.000 -5.987) 8.362 14.634 ( -12.429 -0.000 0.626) 12.445 14.963 ( 0.851 0.000 8.338) 8.382 15.539 ( -7.752 0.000 0.572) 7.773 15.911 ( 6.629 0.000 -7.678) 10.143 16.091 ( 5.700 -0.000 10.981) 12.372 17.670 ( -4.545 0.000 13.081) 13.848 17.767 ( -1.898 0.000 8.674) 8.879 17.869 ( -6.121 -0.000 7.873) 9.972 17.970 ( -1.201 -0.000 2.922) 3.160 18.555 ( 5.255 0.000 -0.574) 5.286 19.006 ( -1.545 0.000 -10.465) 10.579 27.296 ( 0.911 0.000 1.969) 2.170 27.455 ( 0.096 0.000 0.565) 0.573 29.761 ( -1.103 0.000 4.501) 4.635 29.959 ( -4.231 0.000 6.836) 8.039 30.335 ( 1.494 0.000 11.455) 11.552 30.486 ( 0.866 0.000 4.505) 4.588 30.956 ( 8.768 0.000 8.942) 12.524 32.598 ( -6.305 0.000 -17.205) 18.324 ======================= Grid point 247 (88/180) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( 14.924 -0.000 19.343) 24.431 3.880 ( 4.869 0.000 -2.884) 5.659 3.946 ( 15.261 -0.000 21.867) 26.666 5.162 ( 10.936 0.000 2.009) 11.119 5.425 ( -2.166 0.000 -6.300) 6.662 5.454 ( -8.618 -0.000 10.701) 13.739 5.775 ( -4.280 0.000 0.982) 4.392 6.308 ( 1.979 0.000 1.471) 2.466 6.455 ( 10.193 -0.000 -3.944) 10.929 6.989 ( -6.103 0.000 -12.189) 13.631 7.459 ( 19.355 0.000 -21.379) 28.839 7.825 ( 10.717 0.000 -20.699) 23.309 10.023 ( -1.165 0.000 -9.288) 9.361 10.418 ( -0.274 0.000 6.019) 6.025 10.874 ( 9.301 0.000 2.772) 9.706 10.932 ( 8.752 -0.000 -15.670) 17.948 11.446 ( -9.497 0.000 1.780) 9.663 11.648 ( -4.982 0.000 -10.806) 11.899 11.894 ( -5.283 0.000 -14.293) 15.238 12.058 ( -4.398 -0.000 -9.454) 10.427 12.325 ( 4.803 0.000 -5.322) 7.169 12.804 ( 3.451 0.000 4.294) 5.509 13.255 ( -3.349 -0.000 9.689) 10.251 13.449 ( 7.932 -0.000 2.837) 8.424 13.497 ( -0.293 0.000 3.089) 3.102 13.712 ( -2.006 0.000 4.640) 5.055 13.864 ( 3.642 0.000 4.912) 6.115 14.053 ( -9.229 0.000 2.611) 9.591 14.484 ( -7.518 0.000 -2.488) 7.919 14.503 ( 1.518 -0.000 7.119) 7.279 14.931 ( -3.347 0.000 11.686) 12.156 15.351 ( -9.806 0.000 6.564) 11.800 16.088 ( 9.943 0.000 -13.166) 16.499 16.219 ( 6.215 -0.000 7.030) 9.383 17.494 ( -10.112 0.000 7.202) 12.414 17.702 ( -9.577 0.000 2.722) 9.956 17.790 ( 2.791 0.000 12.912) 13.210 17.959 ( -0.025 -0.000 3.021) 3.021 18.662 ( 4.599 0.000 0.706) 4.653 18.958 ( -3.085 -0.000 -7.432) 8.047 27.325 ( 1.913 0.000 2.067) 2.816 27.455 ( -0.163 0.000 0.852) 0.868 29.739 ( -0.784 0.000 6.439) 6.487 29.876 ( -3.497 0.000 8.724) 9.399 30.366 ( 1.249 0.000 12.608) 12.669 30.465 ( -2.443 0.000 13.693) 13.909 31.213 ( 15.179 0.000 -4.343) 15.788 32.418 ( -10.881 0.000 -16.794) 20.011 ======================= Grid point 249 (89/180) ======================= q-point: ( 0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( 10.151 -0.000 17.842) 20.528 3.992 ( 5.019 0.000 2.555) 5.632 4.301 ( 19.196 -0.000 19.108) 27.085 5.136 ( -16.529 0.000 9.683) 19.156 5.262 ( -3.353 0.000 -1.611) 3.720 5.349 ( -4.919 -0.000 -13.792) 14.642 5.903 ( 14.127 0.000 4.922) 14.960 6.320 ( -1.855 -0.000 1.703) 2.518 6.667 ( 8.580 -0.000 -5.436) 10.156 6.874 ( -4.897 0.000 -4.471) 6.631 7.817 ( 14.675 0.000 -27.192) 30.899 8.008 ( 5.909 -0.000 -26.400) 27.053 10.058 ( 4.804 0.000 -4.602) 6.652 10.380 ( -4.986 0.000 5.125) 7.150 11.017 ( 0.119 -0.000 5.518) 5.519 11.022 ( 4.047 0.000 13.283) 13.886 11.419 ( 6.654 0.000 -10.575) 12.494 11.587 ( -0.725 0.000 -15.477) 15.494 11.814 ( -2.208 0.000 -13.248) 13.431 11.943 ( -6.187 0.000 -8.806) 10.762 12.473 ( 10.145 -0.000 -6.346) 11.966 12.863 ( 2.655 0.000 0.330) 2.675 13.131 ( -7.803 -0.000 1.704) 7.987 13.234 ( -20.754 0.000 -2.915) 20.958 13.600 ( 6.034 0.000 0.086) 6.035 13.723 ( -0.309 -0.000 -2.089) 2.112 13.951 ( 0.888 -0.000 7.698) 7.749 13.956 ( 4.377 0.000 4.975) 6.626 14.369 ( -2.369 -0.000 5.867) 6.327 14.537 ( -2.005 -0.000 14.984) 15.118 14.885 ( 1.136 0.000 10.910) 10.969 15.156 ( -8.959 0.000 10.467) 13.777 16.284 ( 8.004 0.000 -13.589) 15.771 16.331 ( 4.321 -0.000 2.137) 4.821 17.326 ( -4.834 0.000 4.964) 6.929 17.495 ( -9.955 -0.000 -0.883) 9.994 17.859 ( 3.683 0.000 11.205) 11.794 17.958 ( -0.482 -0.000 4.700) 4.725 18.740 ( 3.230 0.000 0.514) 3.271 18.884 ( -3.880 -0.000 -4.114) 5.655 27.370 ( 2.373 0.000 1.959) 3.077 27.445 ( -0.927 0.000 1.232) 1.541 29.737 ( 0.645 0.000 8.562) 8.587 29.814 ( -2.663 0.000 10.133) 10.477 30.381 ( 0.294 0.000 14.085) 14.088 30.413 ( -2.109 -0.000 15.699) 15.840 31.542 ( 16.277 0.000 -10.862) 19.568 32.165 ( -13.563 0.000 -15.911) 20.908 ======================= Grid point 251 (90/180) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.039 ( -0.165 -5.388 11.563) 12.758 4.039 ( 0.165 5.388 11.563) 12.758 4.723 ( -21.299 -0.029 15.482) 26.331 4.723 ( 21.299 0.029 15.481) 26.331 5.260 ( -0.304 -11.980 -10.683) 16.055 5.260 ( 0.304 11.980 -10.683) 16.055 6.187 ( -5.756 -8.148 1.165) 10.044 6.187 ( 5.756 8.148 1.165) 10.044 6.790 ( -2.299 -2.319 -2.819) 4.314 6.790 ( 2.299 2.319 -2.819) 4.314 8.024 ( -4.549 -0.289 -28.927) 29.284 8.024 ( 4.549 0.289 -28.927) 29.284 10.214 ( -8.960 -0.527 0.857) 9.017 10.214 ( 8.960 0.527 0.857) 9.017 11.035 ( -0.225 -5.270 13.772) 14.748 11.035 ( 0.225 5.270 13.772) 14.748 11.560 ( -3.713 -0.541 -15.881) 16.318 11.560 ( 3.713 0.541 -15.881) 16.318 11.828 ( -1.789 -3.572 -7.137) 8.179 11.828 ( 1.789 3.572 -7.137) 8.179 12.763 ( -17.310 -0.031 -5.824) 18.263 12.763 ( 17.310 0.031 -5.824) 18.263 12.986 ( -3.373 -1.276 -3.736) 5.192 12.986 ( 3.373 1.276 -3.736) 5.192 13.689 ( -1.175 -2.714 -1.625) 3.375 13.689 ( 1.175 2.714 -1.625) 3.375 13.993 ( -0.185 -3.312 5.509) 6.431 13.993 ( 0.185 3.312 5.509) 6.431 14.421 ( -6.189 -0.342 14.308) 15.593 14.421 ( 6.189 0.342 14.308) 15.593 14.987 ( -3.610 -5.624 11.463) 13.269 14.987 ( 3.610 5.624 11.463) 13.269 16.376 ( -0.018 -12.399 -5.984) 13.768 16.376 ( 0.018 12.400 -5.984) 13.768 17.329 ( -1.705 -6.600 0.432) 6.830 17.329 ( 1.705 6.600 0.432) 6.830 17.927 ( -0.442 -7.317 7.903) 10.779 17.927 ( 0.442 7.317 7.903) 10.779 18.807 ( -0.983 -5.759 -1.230) 5.970 18.807 ( 0.983 5.759 -1.230) 5.970 27.416 ( -1.509 -0.433 1.635) 2.267 27.416 ( 1.509 0.433 1.635) 2.267 29.765 ( -2.014 -0.003 10.047) 10.247 29.765 ( 2.014 0.003 10.047) 10.247 30.387 ( -0.093 -1.427 15.255) 15.322 30.387 ( 0.093 1.427 15.255) 15.322 31.868 ( -15.097 -0.166 -14.152) 20.694 31.868 ( 15.097 0.166 -14.152) 20.694 ======================= Grid point 297 (91/180) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 0.000 0.000 35.067) 35.067 2.601 ( 0.000 0.000 37.566) 37.566 4.339 ( 0.000 0.000 51.066) 51.066 4.447 ( 0.000 0.000 -8.678) 8.678 4.836 ( 0.000 0.000 -15.141) 15.141 5.514 ( 0.000 0.000 -4.250) 4.250 5.769 ( 0.000 0.000 -21.538) 21.538 6.015 ( 0.000 0.000 -1.513) 1.513 6.035 ( 0.000 0.000 -21.775) 21.775 6.585 ( 0.000 0.000 -22.083) 22.083 6.867 ( 0.000 0.000 -8.354) 8.354 7.806 ( 0.000 0.000 -26.110) 26.110 10.260 ( 0.000 0.000 -1.624) 1.624 10.767 ( 0.000 0.000 0.542) 0.542 10.986 ( 0.000 0.000 4.818) 4.818 11.252 ( 0.000 0.000 -2.336) 2.336 11.906 ( 0.000 0.000 -17.289) 17.289 11.994 ( 0.000 0.000 1.101) 1.101 12.005 ( 0.000 0.000 5.005) 5.005 12.245 ( 0.000 0.000 -8.028) 8.028 12.625 ( 0.000 0.000 6.012) 6.012 12.643 ( 0.000 0.000 0.430) 0.430 12.932 ( 0.000 0.000 -1.404) 1.404 13.260 ( 0.000 0.000 0.253) 0.253 13.734 ( 0.000 0.000 4.215) 4.215 13.877 ( 0.000 0.000 3.151) 3.151 14.064 ( 0.000 0.000 5.972) 5.972 14.210 ( 0.000 0.000 11.289) 11.289 14.654 ( 0.000 0.000 0.242) 0.242 14.719 ( 0.000 0.000 -0.433) 0.433 15.088 ( 0.000 0.000 0.704) 0.704 15.471 ( 0.000 0.000 -7.155) 7.155 15.970 ( 0.000 0.000 -1.088) 1.088 16.129 ( 0.000 0.000 1.042) 1.042 17.414 ( 0.000 0.000 7.435) 7.435 17.702 ( 0.000 0.000 11.428) 11.428 17.784 ( 0.000 0.000 -2.464) 2.464 18.272 ( 0.000 0.000 10.551) 10.551 18.411 ( 0.000 0.000 -3.689) 3.689 18.769 ( 0.000 0.000 3.219) 3.219 27.236 ( 0.000 0.000 3.279) 3.279 27.395 ( 0.000 0.000 0.111) 0.111 29.713 ( 0.000 0.000 7.838) 7.838 29.926 ( 0.000 0.000 4.192) 4.192 30.333 ( 0.000 0.000 -4.219) 4.219 30.520 ( 0.000 0.000 -9.123) 9.123 31.181 ( 0.000 0.000 17.595) 17.595 32.476 ( 0.000 0.000 -10.365) 10.365 ======================= Grid point 298 (92/180) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 14.802 0.000 32.631) 35.831 2.804 ( 15.301 0.000 35.476) 38.636 4.437 ( 11.786 0.000 46.670) 48.136 4.572 ( 9.331 0.000 -7.530) 11.990 4.839 ( 0.523 0.000 -11.725) 11.737 5.338 ( -9.229 0.000 -6.924) 11.538 5.809 ( -5.378 0.000 -21.897) 22.547 5.934 ( -9.309 0.000 -19.125) 21.271 6.105 ( 13.272 0.000 0.120) 13.272 6.657 ( 6.036 0.000 -24.283) 25.022 7.012 ( 11.911 0.000 -7.261) 13.950 7.761 ( -4.294 0.000 -24.250) 24.627 10.236 ( -0.825 0.000 -3.894) 3.980 10.608 ( -9.999 0.000 -1.131) 10.063 11.092 ( 5.098 0.000 5.901) 7.798 11.298 ( -1.707 0.000 -4.776) 5.072 11.625 ( -4.778 0.000 -5.975) 7.651 11.841 ( -10.589 0.000 -2.645) 10.914 12.256 ( -5.839 0.000 4.451) 7.342 12.289 ( 7.529 0.000 -3.117) 8.149 12.632 ( 1.747 0.000 -0.410) 1.794 12.662 ( 8.811 0.000 1.474) 8.933 13.069 ( 9.086 0.000 -0.870) 9.127 13.269 ( 0.798 0.000 0.626) 1.015 13.738 ( 0.861 0.000 4.355) 4.439 13.887 ( 1.135 0.000 2.900) 3.115 14.083 ( 1.571 0.000 4.546) 4.810 14.215 ( -0.011 0.000 9.437) 9.437 14.651 ( -0.272 0.000 0.213) 0.345 14.681 ( -3.613 0.000 0.333) 3.628 15.067 ( -1.871 0.000 -2.467) 3.096 15.240 ( -17.147 0.000 -5.052) 17.876 15.993 ( 2.183 0.000 1.565) 2.686 16.254 ( 7.973 0.000 0.321) 7.979 17.392 ( -1.741 0.000 6.999) 7.213 17.550 ( -6.879 0.000 9.099) 11.407 17.952 ( 7.747 0.000 0.805) 7.788 18.203 ( -5.235 0.000 10.028) 11.312 18.480 ( 5.066 0.000 -3.052) 5.914 18.715 ( -4.374 0.000 2.418) 4.998 27.240 ( 0.493 0.000 3.094) 3.133 27.391 ( -0.418 0.000 0.220) 0.472 29.758 ( 3.772 0.000 5.865) 6.973 29.930 ( 0.517 0.000 4.595) 4.624 30.200 ( -8.987 0.000 -3.368) 9.598 30.582 ( 1.821 0.000 -7.374) 7.596 31.246 ( 6.685 0.000 14.732) 16.178 32.433 ( -3.938 0.000 -9.342) 10.139 ======================= Grid point 299 (93/180) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 25.434 0.000 26.956) 37.061 3.077 ( 11.277 0.000 37.241) 38.911 4.583 ( -11.788 0.000 1.567) 11.892 4.761 ( 4.982 0.000 -5.661) 7.541 4.964 ( 23.244 0.000 32.183) 39.700 5.361 ( 11.451 0.000 -11.383) 16.146 5.680 ( -3.206 0.000 -23.199) 23.419 5.688 ( -13.163 0.000 -14.993) 19.951 6.409 ( 13.695 0.000 -2.332) 13.892 6.782 ( 4.948 0.000 -28.195) 28.626 7.265 ( 11.061 0.000 -5.182) 12.215 7.639 ( -7.251 0.000 -19.414) 20.724 10.287 ( 6.466 0.000 -6.023) 8.837 10.459 ( -3.287 0.000 -1.903) 3.798 11.119 ( -10.498 0.000 -13.051) 16.749 11.121 ( -2.226 0.000 1.518) 2.694 11.656 ( -6.947 0.000 -4.474) 8.263 11.741 ( 8.505 0.000 3.616) 9.242 12.077 ( -8.972 0.000 9.635) 13.166 12.211 ( -11.025 0.000 -0.970) 11.068 12.748 ( 6.489 0.000 4.804) 8.073 12.875 ( 8.037 0.000 6.509) 10.343 13.245 ( 8.973 0.000 -3.417) 9.602 13.296 ( 2.009 0.000 0.658) 2.114 13.784 ( 3.191 0.000 3.722) 4.903 13.919 ( 1.500 0.000 1.862) 2.391 14.112 ( 0.801 0.000 0.445) 0.917 14.191 ( -2.268 0.000 5.734) 6.166 14.578 ( -6.094 0.000 1.955) 6.400 14.615 ( -4.840 0.000 -0.562) 4.873 14.953 ( -7.236 0.000 -5.076) 8.839 15.023 ( -2.064 0.000 -7.082) 7.377 16.059 ( 4.214 0.000 6.426) 7.684 16.365 ( 2.313 0.000 2.796) 3.629 17.365 ( -0.375 0.000 5.858) 5.870 17.465 ( -1.482 0.000 9.038) 9.159 18.021 ( -1.588 0.000 4.476) 4.749 18.081 ( -6.452 0.000 11.069) 12.812 18.584 ( 4.610 0.000 -3.898) 6.038 18.647 ( -1.173 0.000 -1.587) 1.974 27.260 ( 1.437 0.000 2.555) 2.931 27.379 ( -0.744 0.000 0.528) 0.912 29.828 ( 2.026 0.000 3.020) 3.637 29.964 ( 3.434 0.000 4.667) 5.794 30.027 ( -7.435 0.000 -1.327) 7.552 30.544 ( -5.070 0.000 -3.597) 6.217 31.447 ( 12.069 0.000 8.209) 14.596 32.323 ( -6.602 0.000 -7.050) 9.659 ======================= Grid point 300 (94/180) ======================= q-point: ( 0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( 15.434 0.000 33.598) 36.973 3.517 ( 28.702 0.000 20.223) 35.111 4.218 ( -20.132 0.000 12.480) 23.686 4.636 ( -15.038 0.000 0.328) 15.041 5.384 ( -0.521 0.000 -13.322) 13.333 5.439 ( -3.225 0.000 -21.089) 21.334 5.659 ( 22.889 0.000 18.042) 29.145 5.876 ( 16.855 0.000 -17.127) 24.030 6.610 ( 5.576 0.000 -4.249) 7.010 6.821 ( -2.002 0.000 -30.774) 30.839 7.421 ( 3.820 0.000 -3.961) 5.502 7.496 ( -5.366 0.000 -11.421) 12.619 10.482 ( 10.673 0.000 -5.843) 12.168 10.484 ( 4.885 0.000 -1.146) 5.018 10.941 ( -6.121 0.000 -16.010) 17.140 11.043 ( -4.388 0.000 -11.776) 12.567 11.546 ( -3.391 0.000 3.143) 4.624 11.813 ( -4.800 0.000 6.489) 8.071 11.938 ( -4.108 0.000 9.769) 10.597 11.960 ( -9.085 0.000 2.874) 9.529 12.865 ( 4.820 0.000 7.269) 8.722 12.946 ( 0.215 0.000 9.860) 9.862 13.361 ( 4.783 0.000 4.475) 6.550 13.444 ( 8.423 0.000 -1.056) 8.489 13.826 ( 0.208 0.000 0.022) 0.209 13.921 ( -1.880 0.000 -2.747) 3.328 14.115 ( 0.135 0.000 -3.318) 3.320 14.148 ( -1.235 0.000 4.203) 4.380 14.457 ( -4.889 0.000 2.543) 5.511 14.474 ( -6.504 0.000 -3.294) 7.290 14.934 ( 2.308 0.000 -5.297) 5.778 14.994 ( -0.748 0.000 -7.700) 7.736 16.159 ( 5.353 0.000 9.343) 10.767 16.355 ( -2.816 0.000 6.796) 7.356 17.390 ( 2.724 0.000 4.170) 4.981 17.468 ( 0.852 0.000 6.105) 6.164 17.926 ( -5.616 0.000 9.797) 11.292 17.950 ( -5.889 0.000 12.336) 13.670 18.658 ( 2.466 0.000 -4.748) 5.350 18.661 ( 1.577 0.000 -4.908) 5.156 27.295 ( 1.877 0.000 1.952) 2.708 27.360 ( -1.118 0.000 0.962) 1.475 29.840 ( -0.087 0.000 2.883) 2.884 29.905 ( -4.316 0.000 0.637) 4.363 30.073 ( 6.784 0.000 2.220) 7.138 30.402 ( -8.143 0.000 -1.243) 8.238 31.709 ( 12.861 0.000 2.973) 13.200 32.165 ( -8.859 0.000 -4.234) 9.819 ======================= Grid point 301 (95/180) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.703 ( -15.212 0.000 23.114) 27.671 3.703 ( 15.212 0.000 23.114) 27.671 4.192 ( -24.590 0.000 13.020) 27.825 4.192 ( 24.590 0.000 13.020) 27.825 5.376 ( -0.501 0.000 -23.476) 23.481 5.376 ( 0.501 0.000 -23.476) 23.481 6.033 ( -4.458 0.000 3.478) 5.654 6.033 ( 4.458 0.000 3.478) 5.654 6.709 ( -3.524 0.000 -20.726) 21.024 6.709 ( 3.524 0.000 -20.726) 21.024 7.447 ( -0.012 0.000 -5.072) 5.072 7.447 ( 0.012 0.000 -5.072) 5.072 10.586 ( -1.364 0.000 -3.666) 3.911 10.586 ( 1.364 0.000 -3.666) 3.911 10.935 ( -3.749 0.000 -16.686) 17.102 10.935 ( 3.749 0.000 -16.686) 17.102 11.594 ( -8.882 0.000 4.644) 10.023 11.594 ( 8.882 0.000 4.644) 10.023 11.902 ( -0.003 0.000 9.529) 9.529 11.902 ( 0.003 0.000 9.529) 9.529 12.930 ( -0.171 0.000 8.498) 8.500 12.930 ( 0.171 0.000 8.498) 8.500 13.483 ( -4.569 0.000 6.077) 7.603 13.483 ( 4.569 0.000 6.077) 7.603 13.851 ( -3.040 0.000 -6.615) 7.281 13.851 ( 3.040 0.000 -6.615) 7.281 14.132 ( -0.110 0.000 0.761) 0.769 14.132 ( 0.110 0.000 0.761) 0.769 14.401 ( -0.001 0.000 -1.165) 1.165 14.401 ( 0.001 0.000 -1.165) 1.165 14.977 ( -0.946 0.000 -6.312) 6.382 14.977 ( 0.946 0.000 -6.312) 6.382 16.269 ( -1.475 0.000 9.362) 9.478 16.269 ( 1.475 0.000 9.362) 9.478 17.455 ( -2.255 0.000 3.112) 3.844 17.455 ( 2.255 0.000 3.112) 3.844 17.868 ( -0.169 0.000 13.074) 13.075 17.868 ( 0.169 0.000 13.074) 13.075 18.682 ( -0.001 0.000 -5.326) 5.326 18.682 ( 0.001 0.000 -5.326) 5.326 27.332 ( -1.099 0.000 1.438) 1.810 27.332 ( 1.099 0.000 1.438) 1.810 29.849 ( -0.518 0.000 2.177) 2.237 29.849 ( 0.518 0.000 2.177) 2.237 30.230 ( -6.109 0.000 0.283) 6.116 30.230 ( 6.109 0.000 0.283) 6.116 31.959 ( -10.532 0.000 -0.955) 10.576 31.959 ( 10.532 0.000 -0.955) 10.576 ======================= Grid point 306 (96/180) ======================= q-point: ( 0.00 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 0.000 28.067 30.944) 41.777 2.699 ( 0.000 9.852 35.627) 36.964 4.358 ( 0.000 3.217 51.419) 51.519 4.512 ( 0.000 6.659 -8.502) 10.799 4.969 ( 0.000 12.655 -14.753) 19.437 5.515 ( 0.000 0.118 -3.703) 3.705 5.677 ( 0.000 -13.910 -15.065) 20.505 5.814 ( 0.000 0.009 -16.369) 16.369 6.329 ( 0.000 15.164 -9.938) 18.130 6.479 ( 0.000 -10.469 -16.514) 19.552 6.830 ( 0.000 -3.930 -12.585) 13.184 7.766 ( 0.000 -4.482 -26.391) 26.769 10.199 ( 0.000 -6.157 -2.375) 6.599 10.654 ( 0.000 -9.661 -2.170) 9.902 10.741 ( 0.000 -18.375 5.408) 19.154 11.232 ( 0.000 -6.746 -5.406) 8.645 11.900 ( 0.000 -1.338 3.220) 3.487 11.915 ( 0.000 -0.259 -12.277) 12.280 12.160 ( 0.000 5.458 -0.737) 5.507 12.259 ( 0.000 0.601 -11.101) 11.118 12.667 ( 0.000 10.519 6.624) 12.431 12.834 ( 0.000 -9.839 -1.299) 9.925 12.834 ( 0.000 12.779 4.093) 13.418 13.254 ( 0.000 0.666 2.205) 2.304 13.631 ( 0.000 -8.048 2.177) 8.337 13.872 ( 0.000 -2.667 0.915) 2.819 14.008 ( 0.000 -5.287 7.702) 9.342 14.220 ( 0.000 0.707 10.165) 10.189 14.588 ( 0.000 -1.936 4.133) 4.564 14.847 ( 0.000 8.028 -0.839) 8.072 15.075 ( 0.000 -1.243 1.056) 1.632 15.481 ( 0.000 0.967 -7.090) 7.156 15.922 ( 0.000 -2.743 0.078) 2.745 16.265 ( 0.000 9.526 -1.197) 9.601 17.349 ( 0.000 -4.246 8.184) 9.220 17.726 ( 0.000 2.418 10.916) 11.181 17.819 ( 0.000 2.939 -2.467) 3.837 18.293 ( 0.000 1.831 10.495) 10.654 18.413 ( 0.000 0.249 -3.662) 3.671 18.763 ( 0.000 -0.513 3.066) 3.108 27.245 ( 0.000 0.946 3.112) 3.252 27.399 ( 0.000 0.418 0.131) 0.438 29.725 ( 0.000 1.236 7.626) 7.726 29.942 ( 0.000 1.914 5.049) 5.400 30.394 ( 0.000 5.511 -2.934) 6.244 30.508 ( 0.000 -1.290 -8.812) 8.906 31.166 ( 0.000 -1.287 17.439) 17.486 32.450 ( 0.000 -2.486 -11.173) 11.447 ======================= Grid point 307 (97/180) ======================= q-point: ( 0.12 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 9.859 17.559 32.185) 37.966 2.929 ( 14.243 13.925 32.993) 38.539 4.479 ( 13.437 5.204 42.540) 44.914 4.629 ( 8.271 5.911 -3.765) 10.841 4.963 ( -0.156 11.196 -12.066) 16.461 5.357 ( -8.237 2.137 -5.958) 10.388 5.607 ( -6.897 -12.467 -17.333) 22.437 5.961 ( 6.027 -0.488 -16.357) 17.439 6.248 ( -1.268 10.504 -5.014) 11.708 6.599 ( 8.529 -5.657 -18.805) 21.410 6.947 ( 9.581 -5.919 -11.191) 15.877 7.732 ( -3.124 -3.477 -24.471) 24.913 10.186 ( -0.001 -5.034 -4.565) 6.795 10.524 ( -6.185 -7.152 -2.440) 9.765 10.883 ( 7.241 -16.079 4.524) 18.205 11.313 ( 4.243 -4.585 -3.584) 7.202 11.597 ( -11.402 -0.321 -8.015) 13.941 11.881 ( -10.201 1.763 -4.033) 11.110 12.228 ( -0.352 -2.173 -5.333) 5.770 12.328 ( 2.877 2.634 4.342) 5.837 12.638 ( -5.419 0.575 2.336) 5.929 12.703 ( 5.639 4.016 2.883) 7.499 13.066 ( 6.922 -0.955 1.146) 7.081 13.287 ( 4.771 3.316 1.791) 6.080 13.651 ( 2.321 -6.478 1.445) 7.032 13.880 ( 1.168 -2.939 1.438) 3.474 14.027 ( 1.273 -4.506 5.861) 7.501 14.233 ( 0.781 1.507 7.986) 8.164 14.563 ( -1.946 -3.110 4.664) 5.934 14.808 ( -3.767 6.904 -0.936) 7.920 15.058 ( -1.707 -0.084 -1.396) 2.207 15.335 ( -11.217 7.311 -6.367) 14.826 15.957 ( 2.268 -2.849 2.501) 4.418 16.307 ( 3.402 3.870 -0.530) 5.180 17.334 ( -1.019 -3.098 7.918) 8.563 17.600 ( -6.130 3.690 8.056) 10.774 17.959 ( 6.638 0.927 1.579) 6.886 18.218 ( -5.260 1.324 8.980) 10.491 18.476 ( 3.887 -0.477 -2.046) 4.418 18.725 ( -2.636 1.178 1.650) 3.326 27.250 ( 0.599 1.073 2.929) 3.177 27.396 ( -0.319 0.521 0.241) 0.657 29.768 ( 3.528 0.952 6.083) 7.097 29.942 ( -0.002 1.557 5.309) 5.533 30.239 ( -8.777 3.273 -2.618) 9.726 30.619 ( 4.049 3.768 -7.244) 9.114 31.214 ( 5.318 -3.158 15.180) 16.392 32.404 ( -4.230 -2.804 -10.195) 11.388 ======================= Grid point 308 (98/180) ======================= q-point: ( 0.25 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 16.913 8.884 31.191) 36.576 3.215 ( 15.840 13.476 32.257) 38.380 4.588 ( -11.281 1.544 2.702) 11.702 4.893 ( 7.125 10.801 -1.503) 13.026 5.030 ( 19.281 7.248 22.731) 30.675 5.356 ( 5.408 -3.009 -8.085) 10.182 5.454 ( -4.992 -6.203 -16.267) 18.111 5.902 ( -4.760 8.429 -19.690) 21.941 6.402 ( 10.756 0.300 -3.797) 11.410 6.783 ( 8.574 -0.901 -23.581) 25.107 7.140 ( 7.749 -10.191 -8.550) 15.395 7.652 ( -4.199 -0.289 -18.537) 19.008 10.246 ( 6.282 -3.619 -6.141) 9.501 10.473 ( 2.062 0.540 -4.044) 4.571 10.956 ( -0.998 -9.949 -0.338) 10.005 11.224 ( -7.879 3.478 -8.548) 12.134 11.594 ( 2.416 -7.084 -1.374) 7.610 11.703 ( -3.204 -2.806 -3.981) 5.829 12.089 ( -8.865 1.681 5.452) 10.543 12.235 ( -12.425 2.358 2.005) 12.805 12.605 ( 1.528 -10.503 5.708) 12.051 12.926 ( 13.192 -0.073 3.470) 13.641 13.068 ( -4.112 -6.806 3.406) 8.651 13.442 ( 7.592 4.407 1.250) 8.867 13.728 ( 4.417 -3.162 -0.050) 5.432 13.925 ( 2.797 -3.890 1.482) 5.015 14.027 ( -1.738 -2.013 1.774) 3.196 14.238 ( -0.049 2.615 4.097) 4.861 14.524 ( -2.311 -2.033 4.994) 5.866 14.697 ( -6.454 4.721 -2.752) 8.456 15.011 ( -2.369 3.702 -3.683) 5.734 15.135 ( -6.627 11.058 -6.298) 14.348 16.003 ( 2.385 -5.405 7.840) 9.817 16.374 ( 2.659 0.665 0.725) 2.835 17.323 ( 0.147 -1.817 7.317) 7.541 17.514 ( -2.232 3.288 7.464) 8.457 18.004 ( -2.913 -0.995 7.457) 8.067 18.112 ( -4.764 2.391 7.699) 9.364 18.535 ( 2.126 -3.134 -2.007) 4.286 18.708 ( 1.311 4.476 -2.964) 5.526 27.272 ( 1.442 1.191 2.441) 3.075 27.387 ( -0.564 0.809 0.551) 1.130 29.831 ( 1.778 0.349 3.873) 4.276 29.940 ( -0.742 -0.465 4.800) 4.879 30.106 ( -2.862 6.006 -0.101) 6.654 30.613 ( -4.139 6.857 -3.408) 8.704 31.394 ( 11.573 -5.347 8.274) 15.198 32.287 ( -6.989 -3.571 -7.943) 11.167 ======================= Grid point 309 (99/180) ======================= q-point: ( 0.38 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 15.874 4.039 31.682) 35.665 3.662 ( 25.175 12.222 21.802) 35.475 4.244 ( -18.570 3.027 12.989) 22.863 4.752 ( -16.477 10.406 0.912) 19.509 5.263 ( -2.121 -9.839 -15.895) 18.813 5.444 ( -1.774 0.584 -17.803) 17.901 5.648 ( 25.371 1.795 18.344) 31.359 5.985 ( 10.008 6.542 -15.417) 19.510 6.576 ( 6.245 -1.096 -11.731) 13.335 6.891 ( 0.095 5.273 -29.133) 29.606 7.264 ( 5.979 -10.694 -3.005) 12.615 7.562 ( -5.065 1.533 -8.864) 10.324 10.431 ( 10.703 -1.558 -4.809) 11.836 10.596 ( 7.712 5.873 -4.197) 10.563 10.887 ( -2.933 -3.306 -10.872) 11.736 11.096 ( -5.227 3.617 -12.882) 14.365 11.521 ( -3.745 -2.679 1.369) 4.804 11.762 ( 2.136 -7.865 6.202) 10.242 11.880 ( -13.946 0.061 1.441) 14.020 11.975 ( -7.548 -0.700 8.669) 11.516 12.649 ( 2.908 -13.258 6.637) 15.109 12.950 ( -5.941 -8.867 5.305) 11.919 13.202 ( 12.500 -5.627 3.054) 14.044 13.548 ( 1.886 0.005 4.219) 4.621 13.785 ( 0.300 -3.115 -1.763) 3.592 13.931 ( -2.144 -1.544 -1.825) 3.211 14.036 ( 3.928 1.754 1.941) 4.720 14.242 ( 0.313 4.619 1.619) 4.904 14.428 ( -6.650 1.012 3.049) 7.385 14.589 ( -3.553 5.400 -5.015) 8.181 14.993 ( 0.925 4.376 -3.407) 5.623 15.060 ( -1.761 7.696 -5.952) 9.888 16.053 ( 2.214 -9.369 11.403) 14.923 16.409 ( 0.833 4.290 1.932) 4.778 17.349 ( 2.530 -2.735 6.534) 7.522 17.491 ( -0.932 1.562 4.811) 5.144 17.897 ( -5.522 -1.622 10.979) 12.396 18.016 ( -4.315 4.915 10.132) 12.059 18.581 ( 2.109 -3.598 -4.057) 5.818 18.746 ( 1.674 4.583 -4.877) 6.899 27.305 ( 1.667 1.027 1.894) 2.724 27.373 ( -0.816 1.256 0.986) 1.793 29.837 ( -0.586 0.033 3.774) 3.819 29.896 ( -2.506 -0.380 3.277) 4.143 30.145 ( 5.280 6.700 1.435) 8.650 30.485 ( -7.456 7.981 -0.946) 10.963 31.652 ( 12.759 -5.771 2.485) 14.222 32.122 ( -9.056 -4.284 -5.107) 11.245 ======================= Grid point 310 (100/180) ======================= q-point: (-0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( 0.000 0.670 24.355) 24.364 3.829 ( -0.000 7.357 21.634) 22.851 4.284 ( -0.000 7.869 12.951) 15.154 4.300 ( 0.000 10.641 14.045) 17.621 5.253 ( -0.000 -8.283 -19.636) 21.311 5.407 ( 0.000 1.334 -21.129) 21.171 5.984 ( -0.000 -1.476 1.178) 1.889 6.078 ( 0.000 0.477 4.159) 4.186 6.670 ( 0.000 1.376 -27.047) 27.082 6.833 ( 0.000 7.179 -24.249) 25.290 7.400 ( -0.000 -3.269 -2.749) 4.272 7.443 ( 0.000 -2.274 -1.694) 2.836 10.599 ( -0.000 2.198 -3.679) 4.285 10.649 ( 0.000 2.614 -6.601) 7.100 10.899 ( -0.000 0.033 -12.652) 12.652 11.015 ( 0.000 5.640 -16.030) 16.994 11.557 ( -0.000 -1.732 2.212) 2.809 11.578 ( 0.000 -3.709 5.886) 6.957 11.811 ( -0.000 -5.832 6.076) 8.422 11.905 ( 0.000 -2.034 10.910) 11.098 12.698 ( -0.000 -13.452 6.756) 15.054 12.869 ( 0.000 -11.674 4.516) 12.518 13.384 ( -0.000 -11.448 -0.034) 11.448 13.520 ( -0.000 1.348 10.057) 10.146 13.775 ( -0.000 -3.798 -5.442) 6.637 13.911 ( 0.000 3.662 -0.128) 3.665 14.099 ( -0.000 1.061 0.513) 1.178 14.247 ( -0.000 8.085 3.094) 8.657 14.333 ( 0.000 -0.698 -0.343) 0.778 14.551 ( 0.000 5.886 -4.871) 7.640 15.022 ( -0.000 2.954 -2.726) 4.020 15.033 ( 0.000 7.265 -6.208) 9.556 16.079 ( 0.000 -11.401 12.487) 16.908 16.416 ( 0.000 7.111 2.490) 7.534 17.402 ( -0.000 -4.708 5.657) 7.360 17.461 ( 0.000 1.066 3.202) 3.375 17.835 ( 0.000 -1.467 11.618) 11.710 17.965 ( 0.000 6.688 12.231) 13.940 18.605 ( 0.000 -3.577 -4.829) 6.010 18.764 ( 0.000 4.259 -5.105) 6.648 27.328 ( -0.000 0.497 1.503) 1.583 27.359 ( 0.000 1.881 1.360) 2.321 29.829 ( 0.000 -0.151 3.862) 3.865 29.868 ( 0.000 0.436 3.463) 3.490 30.243 ( 0.000 4.979 0.945) 5.068 30.366 ( 0.000 9.574 -0.128) 9.574 31.869 ( 0.000 -6.943 -1.282) 7.061 31.944 ( -0.000 -3.397 -2.123) 4.006 ======================= Grid point 315 (101/180) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 0.000 16.032 31.164) 35.046 3.199 ( 0.000 21.585 31.587) 38.258 4.525 ( 0.000 13.356 36.171) 38.558 4.687 ( 0.000 10.945 -7.615) 13.333 5.149 ( 0.000 -0.318 -0.528) 0.616 5.517 ( 0.000 -0.091 -1.717) 1.719 5.549 ( 0.000 8.052 -16.866) 18.690 5.877 ( 0.000 6.344 -15.690) 16.924 6.221 ( 0.000 -15.040 -10.443) 18.309 6.615 ( 0.000 15.158 -4.697) 15.869 6.717 ( 0.000 -7.769 -16.551) 18.284 7.621 ( 0.000 -10.808 -25.974) 28.132 10.051 ( 0.000 -8.195 -4.331) 9.269 10.415 ( 0.000 -14.172 3.244) 14.538 10.479 ( 0.000 -7.446 -7.202) 10.359 11.018 ( 0.000 -13.616 -7.692) 15.639 11.859 ( 0.000 -5.901 -8.530) 10.373 11.910 ( 0.000 1.508 1.742) 2.304 12.188 ( 0.000 -1.251 -3.465) 3.684 12.225 ( 0.000 -5.354 -16.992) 17.815 12.585 ( 0.000 -12.522 6.323) 14.028 12.985 ( 0.000 19.377 7.013) 20.607 13.110 ( 0.000 14.935 6.852) 16.432 13.248 ( 0.000 -4.834 2.384) 5.390 13.494 ( 0.000 -3.999 2.128) 4.529 13.795 ( 0.000 -3.868 -3.677) 5.337 13.885 ( 0.000 -6.944 10.686) 12.743 14.230 ( 0.000 0.265 9.330) 9.333 14.573 ( 0.000 -0.444 4.008) 4.032 14.966 ( 0.000 2.992 -3.050) 4.272 15.042 ( 0.000 -2.244 1.955) 2.976 15.502 ( 0.000 1.013 -6.863) 6.938 15.899 ( 0.000 0.781 3.371) 3.460 16.360 ( 0.000 -0.839 1.861) 2.041 17.362 ( 0.000 6.925 6.803) 9.708 17.788 ( 0.000 3.803 9.642) 10.365 17.891 ( 0.000 4.822 -0.968) 4.918 18.320 ( 0.000 0.422 10.274) 10.283 18.419 ( 0.000 0.355 -3.597) 3.614 18.759 ( 0.000 0.273 1.283) 1.312 27.271 ( 0.000 1.635 2.694) 3.151 27.411 ( 0.000 0.760 0.163) 0.777 29.758 ( 0.000 2.179 7.034) 7.364 30.001 ( 0.000 4.047 6.831) 7.940 30.473 ( 0.000 -2.265 -7.961) 8.277 30.502 ( 0.000 4.801 0.973) 4.898 31.146 ( 0.000 -0.350 16.648) 16.651 32.392 ( 0.000 -3.185 -13.327) 13.703 ======================= Grid point 316 (102/180) ======================= q-point: ( 0.12 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 8.907 16.831 30.855) 36.258 3.278 ( 7.382 17.883 32.477) 37.803 4.653 ( 10.839 9.942 22.736) 27.078 4.782 ( 7.190 9.385 -0.172) 11.824 5.114 ( -2.074 2.652 0.194) 3.372 5.389 ( -3.770 0.575 -2.824) 4.746 5.569 ( -4.219 12.630 -17.927) 22.331 5.943 ( 5.451 -0.852 -11.453) 12.713 6.312 ( 7.023 -7.382 -9.746) 14.100 6.580 ( -0.799 8.421 -3.987) 9.351 6.821 ( 8.492 -6.502 -19.038) 21.837 7.612 ( -0.846 -9.170 -23.873) 25.587 10.061 ( 1.873 -7.256 -5.696) 9.412 10.402 ( 0.034 -4.450 -5.408) 7.004 10.575 ( 8.096 -14.832 1.306) 16.949 11.117 ( 7.954 -13.169 -5.799) 16.441 11.614 ( -13.490 0.354 -8.426) 15.909 11.881 ( -9.518 -1.266 -4.640) 10.665 12.144 ( 0.851 -6.966 -8.275) 10.850 12.347 ( 3.108 -2.555 -2.406) 4.688 12.518 ( -5.706 -8.855 6.905) 12.595 12.922 ( -3.452 14.687 5.875) 16.191 13.089 ( -2.448 3.872 6.075) 7.609 13.339 ( 6.006 -0.203 2.335) 6.447 13.539 ( 4.427 -3.406 2.981) 6.331 13.819 ( 2.640 -2.196 -0.933) 3.558 13.931 ( 3.764 -5.171 6.661) 9.234 14.264 ( 2.417 1.526 6.078) 6.717 14.526 ( -3.305 -1.417 4.579) 5.822 14.875 ( -6.640 -0.755 -2.298) 7.067 15.082 ( 1.843 1.813 0.090) 2.587 15.449 ( -4.409 3.947 -6.401) 8.717 15.921 ( 0.550 -0.053 5.283) 5.312 16.334 ( -0.902 -1.665 1.298) 2.296 17.360 ( -0.334 6.480 6.872) 9.451 17.675 ( -6.144 4.293 7.493) 10.598 17.992 ( 4.342 2.469 3.291) 5.981 18.240 ( -5.239 0.685 6.660) 8.501 18.460 ( 1.774 -1.091 -0.080) 2.085 18.761 ( 0.715 2.362 -0.590) 2.537 27.278 ( 0.771 1.736 2.556) 3.185 27.410 ( -0.073 0.913 0.279) 0.958 29.793 ( 2.847 1.708 6.387) 7.198 29.993 ( -0.926 3.500 6.942) 7.830 30.298 ( -6.907 2.643 -1.105) 7.477 30.708 ( 9.187 4.490 -6.036) 11.874 31.143 ( 0.787 -3.401 16.207) 16.579 32.339 ( -4.974 -3.642 -12.540) 13.974 ======================= Grid point 317 (103/180) ======================= q-point: ( 0.25 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 11.309 15.606 31.550) 36.971 3.508 ( 15.568 14.873 29.593) 36.597 4.637 ( -11.721 2.242 6.110) 13.407 5.015 ( 6.245 -0.792 -6.878) 9.323 5.172 ( 7.558 4.078 4.075) 9.505 5.358 ( 1.037 11.813 2.353) 12.090 5.541 ( 4.871 11.763 -3.642) 13.242 5.989 ( 0.009 1.513 -15.112) 15.187 6.458 ( 7.360 4.823 -10.722) 13.870 6.689 ( 11.062 -8.494 -4.647) 14.701 6.999 ( 7.300 -2.908 -23.420) 24.703 7.587 ( -1.733 -6.722 -16.935) 18.302 10.160 ( 8.052 -5.436 -6.545) 11.714 10.462 ( 6.274 -1.851 -7.991) 10.327 10.754 ( 8.107 -9.835 2.709) 13.031 11.221 ( -1.591 -5.074 -6.224) 8.186 11.446 ( 0.472 -5.130 -5.506) 7.541 11.665 ( -9.854 -1.432 -7.602) 12.528 12.091 ( -5.917 -4.023 -2.652) 7.631 12.259 ( -13.376 -3.547 -0.756) 13.859 12.412 ( -1.793 -6.081 9.970) 11.814 12.903 ( -1.437 2.042 1.840) 3.101 13.023 ( -1.260 0.170 7.647) 7.752 13.421 ( 1.558 -6.466 4.707) 8.148 13.659 ( 6.430 -1.437 1.583) 6.776 13.883 ( 2.705 -1.540 1.565) 3.484 14.020 ( 4.437 0.670 1.541) 4.745 14.276 ( -0.888 0.948 0.878) 1.568 14.510 ( 1.302 0.061 5.523) 5.675 14.733 ( -6.114 -1.077 -3.782) 7.269 15.091 ( -1.269 3.239 0.664) 3.541 15.343 ( -5.341 8.916 -6.184) 12.094 15.890 ( -2.480 -4.707 10.400) 11.682 16.378 ( 4.847 -0.361 -2.159) 5.318 17.340 ( -1.715 3.603 8.252) 9.166 17.583 ( -2.693 4.462 6.714) 8.499 17.984 ( -5.229 -1.583 8.095) 9.766 18.160 ( -2.356 2.611 4.896) 6.028 18.488 ( 1.649 -1.410 -0.182) 2.177 18.794 ( 2.082 4.137 -3.425) 5.760 27.302 ( 1.445 1.841 2.207) 3.217 27.408 ( -0.146 1.309 0.594) 1.444 29.843 ( 1.338 0.906 5.495) 5.727 29.958 ( -2.357 2.187 7.096) 7.791 30.228 ( 0.406 6.522 1.319) 6.666 30.784 ( -2.347 10.245 -2.170) 10.732 31.252 ( 10.215 -9.218 8.225) 16.030 32.201 ( -8.110 -4.886 -10.580) 14.198 ======================= Grid point 318 (104/180) ======================= q-point: ( 0.38 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 13.435 13.189 29.358) 34.876 3.898 ( 20.002 10.871 21.990) 31.652 4.340 ( -13.952 6.782 14.008) 20.902 4.917 ( -16.915 3.118 0.944) 17.226 5.117 ( -1.114 -3.070 -11.294) 11.756 5.503 ( -0.450 6.499 -10.939) 12.732 5.760 ( 17.462 9.897 11.633) 23.199 6.047 ( 3.971 0.858 -10.989) 11.716 6.626 ( 8.669 6.053 -23.248) 25.539 6.924 ( 7.805 -5.914 -15.172) 18.058 7.114 ( 6.680 -0.850 -13.599) 15.175 7.522 ( -5.411 -5.722 -6.182) 10.012 10.379 ( 12.383 -5.095 -5.477) 14.467 10.618 ( 5.847 -4.364 -7.907) 10.759 10.887 ( 5.841 3.316 -2.964) 7.342 11.152 ( -2.482 2.106 -11.602) 12.050 11.444 ( -3.218 -4.979 0.127) 5.930 11.590 ( 2.599 -7.593 -0.536) 8.043 11.901 ( -16.664 -1.908 2.898) 17.022 11.962 ( -7.704 1.344 1.399) 7.944 12.409 ( 1.458 -10.928 5.799) 12.457 12.771 ( -8.818 -5.971 0.466) 10.659 13.093 ( 5.225 -5.371 4.437) 8.709 13.403 ( -2.733 -11.929 7.183) 14.190 13.779 ( 4.815 2.182 -0.566) 5.316 13.918 ( 0.918 -1.755 0.478) 2.037 14.093 ( 2.703 2.824 -0.778) 3.986 14.298 ( 3.378 1.270 3.103) 4.759 14.466 ( -5.197 0.504 3.025) 6.034 14.661 ( -2.718 3.886 -2.020) 5.155 15.053 ( -0.804 1.312 2.260) 2.734 15.260 ( -2.628 10.935 -6.253) 12.868 15.860 ( -0.374 -8.903 11.874) 14.846 16.486 ( 4.544 2.952 -5.277) 7.564 17.306 ( -0.981 -1.528 10.122) 10.284 17.547 ( -1.497 5.037 4.455) 6.889 17.852 ( -5.811 -3.388 9.144) 11.352 18.119 ( -1.710 5.364 8.221) 9.964 18.530 ( 2.026 -1.377 -2.367) 3.407 18.829 ( 1.139 3.818 -4.173) 5.769 27.333 ( 1.374 1.759 1.794) 2.864 27.403 ( -0.290 1.791 1.019) 2.081 29.849 ( -0.183 1.219 5.766) 5.897 29.908 ( -2.218 1.874 7.221) 7.783 30.297 ( 5.386 8.417 2.344) 10.264 30.671 ( -7.126 10.386 1.592) 12.696 31.504 ( 12.944 -9.093 0.146) 15.819 32.015 ( -9.870 -6.336 -7.852) 14.115 ======================= Grid point 319 (105/180) ======================= q-point: (-0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.748 ( 0.000 9.529 24.785) 26.554 3.991 ( -0.000 9.711 19.348) 21.648 4.430 ( -0.000 6.496 11.449) 13.163 4.519 ( 0.000 9.897 16.897) 19.582 5.117 ( -0.000 -4.702 -14.134) 14.896 5.480 ( 0.000 6.224 -14.189) 15.494 6.003 ( -0.000 4.697 -1.796) 5.028 6.054 ( 0.000 -1.654 1.229) 2.061 6.747 ( -0.000 5.409 -32.174) 32.625 6.954 ( 0.000 4.311 -30.454) 30.757 7.324 ( -0.000 -4.399 1.310) 4.590 7.357 ( 0.000 -6.212 1.916) 6.501 10.595 ( -0.000 -8.120 -7.545) 11.084 10.609 ( 0.000 -2.742 -4.431) 5.211 10.962 ( -0.000 5.321 -10.018) 11.343 11.149 ( 0.000 7.238 -13.694) 15.490 11.466 ( -0.000 -6.056 3.221) 6.859 11.535 ( 0.000 -1.771 4.157) 4.518 11.705 ( 0.000 -4.745 4.799) 6.749 11.881 ( -0.000 1.750 4.616) 4.937 12.449 ( -0.000 -12.126 3.504) 12.622 12.645 ( 0.000 -9.468 -0.666) 9.492 13.163 ( 0.000 -9.528 0.685) 9.553 13.359 ( -0.000 -12.933 8.691) 15.582 13.833 ( 0.000 4.255 -0.089) 4.256 13.927 ( 0.000 -1.691 -0.918) 1.924 14.128 ( -0.000 0.447 -2.308) 2.351 14.363 ( -0.000 4.642 4.816) 6.689 14.388 ( 0.000 3.703 4.094) 5.520 14.605 ( 0.000 1.428 -0.354) 1.471 15.060 ( -0.000 0.698 2.070) 2.185 15.230 ( 0.000 11.274 -6.589) 13.059 15.860 ( 0.000 -9.924 11.768) 15.394 16.536 ( 0.000 4.736 -6.436) 7.991 17.301 ( 0.000 -4.835 9.988) 11.097 17.522 ( 0.000 5.339 4.153) 6.765 17.790 ( 0.000 -3.325 9.361) 9.934 18.099 ( 0.000 6.770 9.741) 11.862 18.554 ( 0.000 -1.511 -3.309) 3.637 18.840 ( 0.000 3.472 -4.102) 5.374 27.349 ( 0.000 1.594 1.528) 2.208 27.399 ( 0.000 2.103 1.306) 2.476 29.849 ( -0.000 2.232 6.727) 7.087 29.880 ( 0.000 1.273 6.682) 6.803 30.386 ( 0.000 8.830 2.552) 9.191 30.564 ( -0.000 10.163 2.137) 10.386 31.712 ( 0.000 -8.820 -4.159) 9.752 31.841 ( -0.000 -6.873 -4.740) 8.349 ======================= Grid point 324 (106/180) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 0.000 16.881 26.662) 31.557 3.500 ( 0.000 12.079 34.408) 36.467 4.601 ( 0.000 -9.278 8.311) 12.456 4.898 ( 0.000 9.686 -3.930) 10.453 5.214 ( 0.000 11.573 11.371) 16.224 5.498 ( 0.000 -2.157 1.552) 2.657 5.776 ( 0.000 7.221 -13.402) 15.223 5.977 ( 0.000 -8.450 -12.167) 14.813 6.133 ( 0.000 22.893 -4.659) 23.362 6.540 ( 0.000 -10.244 -16.714) 19.604 6.917 ( 0.000 15.760 -1.135) 15.801 7.359 ( 0.000 -15.882 -23.247) 28.154 9.929 ( 0.000 -3.793 -6.636) 7.643 10.225 ( 0.000 -5.575 -1.981) 5.917 10.386 ( 0.000 -2.149 -10.897) 11.107 10.757 ( 0.000 -12.918 -9.135) 15.822 11.694 ( 0.000 -10.652 -11.010) 15.319 11.942 ( 0.000 1.652 0.838) 1.852 12.034 ( 0.000 -13.397 -21.214) 25.090 12.146 ( 0.000 -2.624 -3.141) 4.093 12.431 ( 0.000 -3.736 15.279) 15.729 13.065 ( 0.000 -11.406 6.907) 13.334 13.284 ( 0.000 10.884 3.743) 11.509 13.419 ( 0.000 15.596 5.671) 16.595 13.428 ( 0.000 -5.984 -0.435) 6.000 13.774 ( 0.000 -3.112 16.506) 16.797 13.778 ( 0.000 2.540 -6.953) 7.403 14.228 ( 0.000 -0.610 9.539) 9.559 14.561 ( 0.000 -0.685 -0.789) 1.045 14.940 ( 0.000 -4.892 -7.280) 8.771 14.991 ( 0.000 -2.971 3.079) 4.279 15.517 ( 0.000 0.571 -6.527) 6.551 15.944 ( 0.000 2.760 7.738) 8.215 16.293 ( 0.000 -3.596 7.803) 8.592 17.569 ( 0.000 12.743 5.648) 13.939 17.862 ( 0.000 3.682 8.199) 8.988 18.007 ( 0.000 6.915 2.545) 7.369 18.295 ( 0.000 -3.032 10.643) 11.066 18.425 ( 0.000 0.285 -3.526) 3.537 18.771 ( 0.000 0.779 -2.999) 3.099 27.302 ( 0.000 1.454 2.341) 2.756 27.428 ( 0.000 1.071 0.087) 1.075 29.805 ( 0.000 2.491 6.202) 6.684 30.085 ( 0.000 4.383 8.528) 9.588 30.425 ( 0.000 -2.575 -6.812) 7.283 30.557 ( 0.000 0.866 5.679) 5.745 31.163 ( 0.000 2.043 15.545) 15.679 32.337 ( 0.000 -2.482 -15.808) 16.002 ======================= Grid point 325 (107/180) ======================= q-point: ( 0.12 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 9.511 17.335 27.284) 33.696 3.555 ( 5.710 11.928 32.226) 34.834 4.622 ( 1.388 -11.240 6.848) 13.235 4.978 ( 5.356 9.657 -3.965) 11.733 5.276 ( 2.747 12.025 6.908) 14.137 5.412 ( 0.033 1.076 3.038) 3.223 5.866 ( -4.308 10.024 -11.368) 15.757 5.921 ( 5.147 -0.390 -8.554) 9.991 6.213 ( 8.295 3.884 -3.791) 9.913 6.673 ( 7.305 -3.663 -14.354) 16.517 6.835 ( -2.923 10.906 -10.041) 15.110 7.395 ( 2.204 -12.156 -20.108) 23.600 9.943 ( 2.249 -4.430 -6.712) 8.351 10.343 ( 5.414 -7.385 -3.323) 9.741 10.372 ( 5.178 0.016 -8.691) 10.117 10.869 ( 9.143 -12.120 -7.593) 16.975 11.575 ( -9.403 -4.678 -10.967) 15.185 11.841 ( -8.549 -3.591 -7.572) 11.971 11.984 ( -3.011 -8.130 -7.201) 11.270 12.181 ( -1.074 -11.391 -7.290) 13.566 12.439 ( 0.401 -0.929 14.845) 14.880 13.037 ( -1.877 -4.797 7.312) 8.944 13.228 ( -5.459 10.356 3.021) 12.090 13.366 ( -2.146 2.979 2.509) 4.447 13.529 ( 6.120 2.455 2.873) 7.193 13.780 ( 1.488 -1.846 7.210) 7.590 13.869 ( 7.095 -0.575 3.389) 7.884 14.286 ( 4.261 0.578 4.590) 6.290 14.500 ( -4.395 -1.240 1.349) 4.761 14.804 ( -7.971 -5.912 -3.890) 10.659 15.078 ( 3.511 -2.215 -0.138) 4.154 15.489 ( -2.441 0.659 -5.479) 6.034 15.952 ( -0.799 2.113 7.928) 8.244 16.285 ( 0.739 -1.677 5.724) 6.010 17.546 ( -2.787 11.341 5.605) 12.953 17.768 ( -5.575 5.372 7.850) 11.026 18.039 ( -0.560 1.842 5.012) 5.369 18.236 ( -3.779 -1.535 6.424) 7.609 18.452 ( 1.998 0.983 -0.481) 2.279 18.801 ( 2.493 1.416 -3.437) 4.476 27.311 ( 0.883 1.504 2.282) 2.872 27.430 ( 0.176 1.190 0.212) 1.221 29.830 ( 2.014 1.919 6.391) 6.970 30.063 ( -2.046 3.560 8.619) 9.546 30.346 ( -2.739 2.620 0.256) 3.799 30.740 ( 12.745 -1.978 -1.727) 13.013 31.121 ( -3.973 1.537 15.283) 15.865 32.276 ( -5.742 -2.807 -15.401) 16.675 ======================= Grid point 326 (108/180) ======================= q-point: ( 0.25 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 10.803 18.064 28.827) 35.693 3.751 ( 13.306 10.827 25.384) 30.637 4.608 ( -3.677 -5.349 8.718) 10.869 5.025 ( -1.630 4.310 -5.185) 6.937 5.214 ( -4.297 0.715 -3.787) 5.772 5.638 ( 10.362 11.875 11.424) 19.465 5.775 ( 2.469 9.749 -4.639) 11.075 6.031 ( 3.316 3.921 -8.634) 10.046 6.439 ( 12.590 -4.472 -2.069) 13.520 6.667 ( 0.625 5.848 -11.377) 12.808 6.998 ( 11.296 1.751 -27.503) 29.784 7.415 ( -0.597 -9.674 -14.368) 17.331 10.040 ( 7.119 -6.820 -5.903) 11.491 10.390 ( 4.457 -4.797 -8.763) 10.939 10.653 ( 15.855 -0.236 -1.288) 15.909 11.068 ( 8.739 -8.819 -4.805) 13.313 11.401 ( -5.586 -1.326 -10.281) 11.776 11.636 ( -10.886 -2.110 -6.512) 12.860 11.919 ( -2.694 -11.631 -7.031) 13.855 12.057 ( -9.973 -13.110 -5.684) 17.425 12.421 ( -2.774 2.766 13.560) 14.115 12.999 ( -3.096 2.451 4.419) 5.927 13.076 ( -8.170 8.394 4.304) 12.479 13.306 ( -4.007 -2.648 5.423) 7.244 13.667 ( 6.893 0.687 0.913) 6.987 13.820 ( 2.179 -4.317 4.931) 6.906 14.028 ( 7.214 -1.069 3.843) 8.243 14.273 ( -4.205 -0.936 -2.153) 4.816 14.492 ( 0.257 -2.574 3.465) 4.324 14.694 ( 0.525 -2.002 -1.119) 2.353 15.103 ( -1.517 -1.557 2.715) 3.478 15.430 ( -3.006 0.393 -4.378) 5.326 15.880 ( -4.921 3.337 8.864) 10.674 16.365 ( 6.289 -0.735 -0.975) 6.406 17.439 ( -6.924 6.047 8.153) 12.288 17.701 ( -1.139 7.881 6.519) 10.291 17.932 ( -8.509 -3.837 6.401) 11.318 18.196 ( -0.444 0.344 4.602) 4.637 18.500 ( 2.462 3.132 0.550) 4.022 18.852 ( 2.119 1.638 -3.684) 4.555 27.336 ( 1.533 1.638 2.088) 3.065 27.434 ( 0.189 1.425 0.546) 1.538 29.865 ( 1.137 1.314 6.972) 7.185 30.014 ( -2.422 3.365 9.735) 10.581 30.350 ( 2.851 6.165 3.449) 7.618 30.978 ( -0.807 9.320 0.328) 9.361 31.054 ( 8.525 -10.994 7.570) 15.838 32.115 ( -9.498 -3.837 -14.264) 17.561 ======================= Grid point 327 (109/180) ======================= q-point: ( 0.38 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.828 ( 10.608 16.862 26.056) 32.799 4.063 ( 14.983 7.184 18.534) 24.892 4.487 ( -5.745 7.808 13.651) 16.743 4.915 ( -10.505 0.411 -0.637) 10.532 5.108 ( -4.062 0.412 -2.173) 4.625 5.627 ( -4.201 3.418 -0.022) 5.416 5.986 ( 8.575 10.758 3.352) 14.159 6.117 ( 5.732 8.737 -9.921) 14.409 6.704 ( 11.555 -7.814 -4.790) 14.748 6.774 ( 8.344 1.838 -19.049) 20.878 7.180 ( 5.960 4.488 -29.659) 30.583 7.366 ( -4.126 -8.628 -6.044) 11.314 10.224 ( 10.377 -10.054 -3.962) 14.982 10.496 ( 3.464 -7.020 -7.178) 10.621 10.950 ( 11.400 2.740 -3.137) 12.137 11.174 ( 2.494 0.189 -11.452) 11.722 11.368 ( -1.975 -2.665 -1.958) 3.852 11.468 ( -1.005 -6.117 -1.746) 6.441 11.802 ( -10.960 -7.334 -0.450) 13.196 11.928 ( 1.449 -6.233 -7.980) 10.229 12.331 ( -4.515 3.703 8.767) 10.534 12.779 ( -15.136 6.622 -1.306) 16.573 13.024 ( 0.554 -1.858 6.016) 6.320 13.206 ( -5.063 -7.324 7.608) 11.711 13.793 ( 4.911 -1.669 -1.549) 5.413 13.857 ( 1.144 -4.226 1.018) 4.495 14.095 ( -0.452 -2.803 -1.057) 3.029 14.293 ( 5.772 -4.347 3.957) 8.239 14.435 ( -1.809 0.171 1.782) 2.544 14.758 ( -0.842 4.931 6.536) 8.230 15.043 ( -1.463 -1.701 5.671) 6.098 15.377 ( -1.982 -0.199 -3.575) 4.093 15.809 ( -1.619 4.907 5.889) 7.834 16.497 ( 5.637 -1.991 -8.084) 10.054 17.307 ( -5.104 1.918 11.253) 12.505 17.677 ( -2.868 6.721 4.358) 8.508 17.773 ( -4.563 -3.384 7.441) 9.361 18.196 ( 0.153 1.807 5.722) 6.003 18.544 ( 1.665 3.220 -0.103) 3.626 18.881 ( 0.698 1.297 -3.162) 3.489 27.368 ( 1.406 1.859 1.766) 2.924 27.436 ( -0.059 1.544 0.998) 1.839 29.883 ( 0.959 2.190 8.314) 8.651 29.965 ( -2.452 3.744 10.579) 11.486 30.447 ( 6.087 6.907 5.316) 10.631 30.837 ( -8.000 5.403 9.140) 13.294 31.337 ( 14.178 -6.933 -6.709) 17.149 31.899 ( -11.261 -5.314 -12.310) 17.510 ======================= Grid point 328 (110/180) ======================= q-point: (-0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( 0.000 13.061 23.778) 27.129 4.188 ( -0.000 9.907 15.156) 18.106 4.553 ( -0.000 7.689 7.519) 10.754 4.655 ( 0.000 5.674 15.137) 16.165 5.075 ( -0.000 -0.156 -2.805) 2.809 5.573 ( 0.000 1.619 -3.021) 3.427 6.069 ( -0.000 3.218 -4.101) 5.213 6.191 ( 0.000 14.196 -4.757) 14.972 6.814 ( -0.000 -0.041 -22.103) 22.103 6.922 ( -0.000 -9.350 -14.983) 17.661 7.257 ( 0.000 -2.108 -8.281) 8.545 7.277 ( -0.000 0.814 -15.244) 15.266 10.401 ( -0.000 -10.511 -5.278) 11.762 10.476 ( 0.000 -10.124 -2.212) 10.363 11.059 ( -0.000 4.548 -12.311) 13.124 11.220 ( 0.000 0.341 -14.792) 14.795 11.371 ( -0.000 -6.060 -3.283) 6.892 11.437 ( 0.000 -8.147 6.367) 10.340 11.692 ( 0.000 4.667 7.362) 8.716 11.951 ( 0.000 0.662 -2.011) 2.117 12.321 ( -0.000 3.022 1.309) 3.293 12.541 ( 0.000 -1.062 -3.450) 3.610 13.042 ( 0.000 -3.457 2.754) 4.420 13.139 ( -0.000 -9.098 9.688) 13.290 13.856 ( -0.000 -1.789 -1.983) 2.671 13.859 ( 0.000 -5.354 -1.371) 5.526 14.086 ( 0.000 -3.947 -0.997) 4.071 14.334 ( 0.000 -7.694 -1.571) 7.853 14.507 ( -0.000 8.835 8.532) 12.282 14.654 ( 0.000 2.972 12.120) 12.479 15.057 ( -0.000 -0.452 5.137) 5.157 15.354 ( 0.000 -0.704 -3.186) 3.263 15.797 ( 0.000 5.449 3.953) 6.732 16.561 ( 0.000 -2.684 -11.895) 12.194 17.252 ( 0.000 0.217 12.384) 12.386 17.620 ( 0.000 0.926 5.787) 5.861 17.745 ( 0.000 2.421 6.539) 6.973 18.198 ( 0.000 2.646 6.327) 6.858 18.562 ( 0.000 2.840 -0.669) 2.918 18.887 ( 0.000 1.100 -2.733) 2.946 27.385 ( 0.000 2.043 1.514) 2.542 27.434 ( 0.000 1.496 1.302) 1.983 29.908 ( -0.000 3.738 9.778) 10.468 29.922 ( 0.000 2.957 10.004) 10.432 30.545 ( 0.000 7.067 6.376) 9.518 30.719 ( -0.000 5.156 8.374) 9.834 31.564 ( 0.000 -5.771 -10.786) 12.233 31.704 ( -0.000 -6.837 -9.159) 11.429 ======================= Grid point 333 (111/180) ======================= q-point: ( 0.00 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( 0.000 11.627 23.895) 26.574 3.721 ( 0.000 11.360 26.624) 28.946 4.342 ( 0.000 -14.429 14.955) 20.781 4.987 ( 0.000 -1.041 6.457) 6.540 5.442 ( 0.000 10.778 -0.961) 10.820 5.500 ( 0.000 4.626 -3.277) 5.669 5.789 ( 0.000 -4.295 -7.925) 9.014 5.900 ( 0.000 -2.112 -15.992) 16.131 6.362 ( 0.000 -6.710 -16.245) 17.576 6.640 ( 0.000 25.037 7.843) 26.236 7.057 ( 0.000 -14.134 -18.931) 23.625 7.161 ( 0.000 7.933 -3.240) 8.570 9.908 ( 0.000 0.999 -7.245) 7.314 10.188 ( 0.000 1.033 -7.934) 8.001 10.390 ( 0.000 1.988 -11.122) 11.298 10.538 ( 0.000 -9.518 -9.154) 13.205 11.493 ( 0.000 -9.046 -16.188) 18.544 11.780 ( 0.000 -11.430 -20.465) 23.441 11.971 ( 0.000 1.242 0.400) 1.305 12.100 ( 0.000 -2.021 -2.421) 3.154 12.403 ( 0.000 0.067 18.226) 18.226 12.871 ( 0.000 -8.134 8.527) 11.785 13.279 ( 0.000 -7.609 -1.331) 7.725 13.432 ( 0.000 4.925 3.973) 6.328 13.551 ( 0.000 -0.662 2.674) 2.754 13.849 ( 0.000 3.606 -8.027) 8.799 13.875 ( 0.000 11.977 18.475) 22.017 14.195 ( 0.000 -3.313 10.865) 11.359 14.550 ( 0.000 -0.442 -5.233) 5.252 14.832 ( 0.000 -5.112 -10.185) 11.396 14.935 ( 0.000 -2.529 4.037) 4.763 15.524 ( 0.000 0.200 -6.244) 6.248 15.966 ( 0.000 -0.305 10.705) 10.709 16.271 ( 0.000 0.804 10.002) 10.034 17.807 ( 0.000 11.660 6.814) 13.505 17.921 ( 0.000 2.226 7.135) 7.475 18.111 ( 0.000 1.080 7.154) 7.236 18.228 ( 0.000 -1.862 11.315) 11.467 18.430 ( 0.000 0.133 -3.479) 3.481 18.781 ( 0.000 0.155 -8.212) 8.214 27.323 ( 0.000 0.734 2.228) 2.345 27.448 ( 0.000 0.864 -0.095) 0.870 29.847 ( 0.000 1.780 5.412) 5.697 30.157 ( 0.000 2.848 9.624) 10.036 30.381 ( 0.000 -1.832 -5.769) 6.052 30.550 ( 0.000 -0.988 8.465) 8.523 31.209 ( 0.000 2.220 15.344) 15.504 32.300 ( 0.000 -1.292 -17.571) 17.619 ======================= Grid point 334 (112/180) ======================= q-point: ( 0.12 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 10.381 12.295 24.591) 29.388 3.766 ( 4.791 10.086 23.452) 25.974 4.379 ( 3.817 -12.203 15.752) 20.288 5.081 ( 6.085 -0.221 3.085) 6.826 5.399 ( -7.382 4.531 -1.838) 8.854 5.505 ( 6.217 6.775 -0.949) 9.245 5.803 ( 4.095 -5.622 -5.767) 9.035 6.037 ( 6.937 5.277 -14.416) 16.846 6.323 ( 0.119 -0.356 -3.552) 3.572 6.748 ( 6.714 13.070 -5.022) 15.528 6.914 ( -6.481 -5.529 -14.509) 16.825 7.266 ( 5.034 0.832 -11.482) 12.564 9.894 ( -0.427 -1.035 -6.663) 6.756 10.266 ( 4.397 -0.311 -8.888) 9.921 10.424 ( 7.311 3.916 -8.541) 11.905 10.665 ( 10.320 -8.824 -7.746) 15.632 11.454 ( -3.598 -6.687 -15.923) 17.641 11.703 ( -6.326 -8.901 -13.964) 17.727 11.906 ( -6.448 -0.912 -3.960) 7.622 12.006 ( -7.603 -6.195 -3.522) 10.420 12.433 ( 2.030 0.053 17.030) 17.151 12.925 ( 4.016 -4.913 8.743) 10.804 13.310 ( 2.176 -3.341 -0.851) 4.077 13.425 ( -1.880 6.507 3.651) 7.694 13.569 ( 2.477 -1.010 1.367) 3.004 13.806 ( -2.441 2.110 0.104) 3.228 13.913 ( 1.774 6.714 13.031) 14.766 14.271 ( 6.062 -2.511 6.047) 8.923 14.489 ( -5.324 0.503 -2.475) 5.893 14.676 ( -8.524 -6.665 -5.095) 11.960 15.029 ( 4.214 -2.165 -0.480) 4.762 15.491 ( -3.040 -0.159 -4.933) 5.797 15.968 ( -0.244 -0.265 9.257) 9.264 16.293 ( 2.313 1.731 8.399) 8.882 17.745 ( -7.011 8.390 5.662) 12.313 17.878 ( -1.915 6.143 8.153) 10.386 18.050 ( -7.107 -0.512 5.931) 9.270 18.171 ( -2.255 -5.079 8.403) 10.074 18.508 ( 5.325 4.113 -0.799) 6.776 18.807 ( 2.162 -0.668 -6.840) 7.205 27.333 ( 0.960 0.763 2.231) 2.546 27.452 ( 0.309 0.912 0.036) 0.963 29.861 ( 1.162 1.223 6.251) 6.474 30.119 ( -2.649 2.072 9.704) 10.270 30.408 ( 2.403 3.992 0.440) 4.681 30.653 ( 8.741 -6.011 3.734) 11.247 31.175 ( -2.986 2.969 13.361) 14.009 32.235 ( -6.178 -1.417 -17.544) 18.654 ======================= Grid point 335 (113/180) ======================= q-point: ( 0.25 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.876 ( 8.521 8.528 21.230) 24.414 3.969 ( 13.347 11.699 20.578) 27.175 4.493 ( 6.497 -5.111 16.752) 18.680 5.115 ( -3.251 2.446 -2.916) 5.005 5.233 ( -7.037 2.562 -3.232) 8.156 5.719 ( 7.412 -1.638 8.813) 11.631 5.880 ( 4.916 1.900 4.127) 6.694 6.144 ( 6.775 8.676 -13.401) 17.342 6.422 ( 6.320 -1.204 1.851) 6.694 6.745 ( -0.696 0.509 -15.182) 15.207 7.000 ( 9.611 -1.212 -21.927) 23.971 7.334 ( 1.751 2.464 -16.479) 16.754 9.920 ( 3.489 -4.871 -4.994) 7.800 10.336 ( 3.380 -0.570 -9.835) 10.415 10.697 ( 16.402 3.484 -4.146) 17.273 10.921 ( 13.820 -6.056 -4.754) 15.820 11.369 ( -3.656 -1.903 -13.479) 14.095 11.547 ( -9.308 -7.082 -3.971) 12.352 11.754 ( -6.139 -4.323 -7.890) 10.892 11.834 ( -7.912 -8.826 -9.730) 15.335 12.462 ( 0.447 1.321 15.161) 15.225 12.984 ( 1.144 -1.721 8.917) 9.153 13.289 ( -7.154 10.576 0.377) 12.774 13.337 ( -6.377 5.062 2.654) 8.563 13.645 ( 3.747 -3.699 0.942) 5.349 13.746 ( -1.752 -3.161 1.572) 3.941 13.976 ( 4.113 -3.079 4.772) 7.012 14.233 ( -8.283 -3.471 2.322) 9.276 14.455 ( 0.248 0.374 0.960) 1.059 14.650 ( 7.875 -3.118 2.796) 8.920 15.069 ( -0.644 -1.218 1.750) 2.228 15.410 ( -4.473 -1.359 -2.204) 5.169 15.954 ( -0.569 3.146 4.741) 5.718 16.359 ( 3.627 0.153 3.143) 4.802 17.553 ( -10.103 5.584 6.900) 13.448 17.836 ( -8.642 -2.794 5.767) 10.759 17.878 ( -2.257 7.014 5.741) 9.341 18.157 ( 0.348 -4.318 6.627) 7.917 18.601 ( 3.457 6.537 0.178) 7.396 18.850 ( 1.658 -1.860 -4.384) 5.043 27.361 ( 1.737 0.897 2.145) 2.902 27.458 ( 0.264 0.960 0.393) 1.070 29.889 ( 1.502 1.006 8.268) 8.463 30.073 ( -1.788 2.446 11.676) 12.063 30.473 ( 3.866 7.120 5.440) 9.759 30.837 ( 6.377 -11.183 7.066) 14.685 31.127 ( 0.759 5.613 2.062) 6.028 32.060 ( -10.434 -1.875 -17.424) 20.395 ======================= Grid point 336 (114/180) ======================= q-point: ( 0.38 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( 9.085 6.257 16.366) 19.737 4.226 ( 10.140 9.277 17.949) 22.607 4.606 ( 4.597 4.396 12.165) 13.727 4.974 ( -9.280 4.672 1.709) 10.530 5.147 ( -1.745 4.137 2.619) 5.198 5.644 ( -7.569 -0.478 9.457) 12.123 6.060 ( 5.774 -1.231 3.475) 6.851 6.336 ( 10.701 9.578 -6.967) 15.962 6.536 ( 5.773 -7.655 -0.300) 9.593 6.783 ( 1.461 -2.699 -14.212) 14.540 7.187 ( 7.892 -1.317 -26.342) 27.531 7.349 ( -0.184 5.231 -24.745) 25.293 10.049 ( 8.940 -7.089 -2.891) 11.770 10.378 ( -0.859 -4.699 -6.988) 8.464 10.998 ( 11.067 2.381 -4.884) 12.329 11.153 ( 6.072 -2.640 -11.832) 13.558 11.318 ( -5.942 -2.868 -3.581) 7.507 11.365 ( -3.292 -3.658 -1.697) 5.206 11.663 ( 0.786 -5.665 -4.967) 7.575 11.818 ( 6.364 -4.109 -6.882) 10.235 12.443 ( -1.723 5.556 8.662) 10.434 12.951 ( -10.406 5.340 0.763) 11.721 13.030 ( -10.136 6.275 5.985) 13.339 13.151 ( -9.650 1.361 3.740) 10.439 13.700 ( 2.156 -7.297 -0.168) 7.611 13.756 ( 0.977 -6.827 -2.475) 7.328 14.029 ( 0.534 -2.689 0.100) 2.743 14.155 ( 0.868 -6.904 3.164) 7.644 14.494 ( 5.267 3.820 7.348) 9.815 14.811 ( 1.934 0.289 9.841) 10.033 15.024 ( -0.594 0.393 4.619) 4.674 15.320 ( -4.136 -3.694 0.391) 5.559 15.967 ( 1.799 8.999 -1.624) 9.319 16.421 ( 2.064 -5.208 -4.968) 7.487 17.375 ( -6.574 4.789 8.821) 11.998 17.632 ( -8.400 -6.211 5.107) 11.629 17.883 ( 0.716 9.470 5.779) 11.117 18.172 ( 0.909 -4.007 5.277) 6.688 18.649 ( 1.323 6.953 0.444) 7.091 18.871 ( 0.442 -2.432 -2.311) 3.384 27.399 ( 1.779 1.220 1.843) 2.837 27.459 ( -0.239 0.820 0.900) 1.241 29.926 ( 2.279 2.084 10.696) 11.133 30.035 ( -2.216 3.061 13.058) 13.594 30.565 ( 4.914 5.806 8.899) 11.707 30.832 ( -4.667 -5.417 15.214) 16.811 31.281 ( 11.996 0.578 -12.707) 17.485 31.823 ( -12.363 -2.600 -16.847) 21.058 ======================= Grid point 337 (115/180) ======================= q-point: (-0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.186 ( 0.000 7.935 18.169) 19.826 4.318 ( 0.000 2.624 10.206) 10.538 4.739 ( -0.000 9.890 5.213) 11.180 4.779 ( 0.000 6.452 7.749) 10.084 5.137 ( -0.000 8.311 12.397) 14.925 5.550 ( 0.000 -3.655 8.141) 8.924 6.108 ( 0.000 0.654 -2.811) 2.886 6.458 ( 0.000 8.252 -4.303) 9.307 6.645 ( -0.000 -14.280 -1.780) 14.391 6.763 ( -0.000 -3.182 -7.074) 7.757 7.297 ( 0.000 4.382 -27.692) 28.036 7.326 ( -0.000 2.946 -30.790) 30.930 10.236 ( -0.000 -6.026 -4.006) 7.236 10.283 ( 0.000 -8.547 -1.430) 8.666 11.127 ( -0.000 1.891 -13.384) 13.517 11.192 ( 0.000 -4.124 -13.950) 14.547 11.258 ( -0.000 -2.767 -6.706) 7.254 11.279 ( 0.000 -6.277 0.507) 6.297 11.795 ( 0.000 3.866 7.114) 8.096 11.888 ( -0.000 -4.027 3.025) 5.037 12.519 ( -0.000 12.315 -2.926) 12.658 12.598 ( 0.000 5.750 -3.728) 6.853 13.011 ( 0.000 -0.244 4.163) 4.171 13.022 ( -0.000 -3.107 8.482) 9.033 13.728 ( -0.000 -7.484 -1.189) 7.577 13.762 ( 0.000 -7.385 -2.989) 7.967 14.033 ( 0.000 -0.617 1.347) 1.481 14.173 ( 0.000 -7.686 0.314) 7.693 14.650 ( -0.000 5.309 10.170) 11.472 14.697 ( 0.000 1.387 13.901) 13.970 15.067 ( -0.000 2.100 5.535) 5.920 15.263 ( 0.000 -6.459 1.389) 6.607 15.996 ( -0.000 12.588 -3.656) 13.108 16.441 ( 0.000 -9.144 -10.318) 13.786 17.304 ( -0.000 4.693 9.686) 10.763 17.539 ( 0.000 -6.379 6.269) 8.944 17.892 ( 0.000 9.564 5.411) 10.989 18.184 ( 0.000 -3.900 4.733) 6.133 18.662 ( 0.000 6.832 0.476) 6.849 18.874 ( 0.000 -2.543 -1.438) 2.921 27.423 ( 0.000 1.744 1.468) 2.279 27.453 ( -0.000 0.374 1.341) 1.392 29.979 ( -0.000 3.227 12.469) 12.880 29.983 ( 0.000 2.929 12.745) 13.077 30.645 ( 0.000 3.489 10.966) 11.507 30.749 ( -0.000 -1.513 14.017) 14.098 31.509 ( 0.000 -0.153 -17.034) 17.035 31.596 ( -0.000 -4.289 -14.320) 14.948 ======================= Grid point 342 (116/180) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( 0.000 -0.000 23.169) 23.169 3.879 ( 0.000 -0.000 12.727) 12.727 4.152 ( 0.000 0.000 29.100) 29.100 4.951 ( 0.000 0.000 10.574) 10.574 5.596 ( 0.000 -0.000 -5.050) 5.050 5.599 ( 0.000 -0.000 -12.128) 12.128 5.686 ( 0.000 0.000 2.039) 2.039 5.848 ( 0.000 0.000 -17.605) 17.605 6.311 ( 0.000 -0.000 -17.593) 17.593 6.900 ( 0.000 0.000 -16.009) 16.009 6.923 ( 0.000 -0.000 14.794) 14.794 7.214 ( 0.000 0.000 -8.943) 8.943 9.927 ( 0.000 0.000 -6.779) 6.779 10.217 ( 0.000 0.000 -11.831) 11.831 10.419 ( 0.000 0.000 -9.675) 9.675 10.430 ( 0.000 0.000 -7.565) 7.565 11.398 ( 0.000 0.000 -19.632) 19.632 11.658 ( 0.000 0.000 -20.310) 20.310 11.984 ( 0.000 0.000 0.282) 0.282 12.078 ( 0.000 -0.000 -2.136) 2.136 12.410 ( 0.000 0.000 19.491) 19.491 12.784 ( 0.000 0.000 8.624) 8.624 13.198 ( 0.000 0.000 -1.458) 1.458 13.479 ( 0.000 0.000 3.852) 3.852 13.532 ( 0.000 0.000 5.328) 5.328 13.887 ( 0.000 0.000 -8.240) 8.240 14.084 ( 0.000 -8.445 13.296) 15.751 14.084 ( 0.000 8.445 13.645) 16.047 14.545 ( 0.000 0.000 -6.874) 6.874 14.778 ( 0.000 0.000 -11.324) 11.324 14.908 ( 0.000 0.000 4.410) 4.410 15.526 ( 0.000 0.000 -6.139) 6.139 15.959 ( 0.000 0.000 11.921) 11.921 16.285 ( 0.000 0.000 10.186) 10.186 17.943 ( 0.000 0.000 6.752) 6.752 17.996 ( 0.000 0.000 2.976) 2.976 18.019 ( 0.000 -0.000 13.853) 13.853 18.240 ( 0.000 0.000 12.091) 12.091 18.431 ( 0.000 0.000 -3.464) 3.464 18.781 ( 0.000 0.000 -10.996) 10.996 27.330 ( 0.000 0.000 2.220) 2.220 27.457 ( 0.000 0.000 -0.189) 0.189 29.866 ( 0.000 0.000 5.070) 5.070 30.186 ( 0.000 0.000 9.977) 9.977 30.362 ( 0.000 0.000 -5.331) 5.331 30.538 ( 0.000 0.000 9.239) 9.239 31.232 ( 0.000 0.000 15.494) 15.494 32.288 ( 0.000 0.000 -18.186) 18.186 ======================= Grid point 344 (117/180) ======================= q-point: ( 0.12 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.813 ( 11.630 -0.000 23.121) 25.882 3.890 ( 1.521 0.000 12.223) 12.318 4.231 ( 7.623 -0.000 27.995) 29.014 5.051 ( 7.189 0.000 7.443) 10.347 5.481 ( -11.486 -0.000 -5.694) 12.820 5.576 ( 1.737 -0.000 -4.501) 4.824 5.727 ( 9.035 0.000 -4.893) 10.275 6.091 ( 14.531 0.000 -8.759) 16.967 6.302 ( -1.061 -0.000 -13.699) 13.740 6.803 ( -6.847 0.000 -14.577) 16.105 6.932 ( 1.499 -0.000 4.767) 4.997 7.292 ( 5.344 0.000 -12.457) 13.555 9.887 ( -2.527 0.000 -6.341) 6.826 10.282 ( 4.443 0.000 -11.724) 12.537 10.477 ( 7.212 -0.000 -7.654) 10.516 10.562 ( 11.608 0.000 -6.238) 13.177 11.378 ( -1.682 0.000 -19.077) 19.151 11.602 ( -5.180 0.000 -15.276) 16.131 11.902 ( -6.992 0.000 -4.175) 8.144 11.946 ( -10.738 0.000 -2.226) 10.966 12.435 ( 1.936 0.000 18.346) 18.448 12.875 ( 6.329 0.000 8.748) 10.797 13.264 ( 5.771 0.000 -0.581) 5.800 13.510 ( 2.181 0.000 4.361) 4.876 13.536 ( 0.281 0.000 2.837) 2.850 13.814 ( -4.588 0.000 -3.479) 5.758 14.028 ( -4.937 0.000 10.939) 12.001 14.219 ( 8.597 0.000 10.178) 13.323 14.514 ( -2.415 0.000 -4.261) 4.898 14.588 ( -11.431 0.000 -5.765) 12.802 15.008 ( 4.634 0.000 -0.786) 4.700 15.489 ( -3.445 0.000 -4.816) 5.922 15.962 ( 0.397 0.000 9.916) 9.924 16.315 ( 2.525 0.000 8.976) 9.325 17.830 ( -8.941 0.000 6.092) 10.819 17.974 ( -3.426 0.000 3.980) 5.251 18.042 ( 0.996 0.000 13.520) 13.556 18.083 ( -9.012 -0.000 5.496) 10.556 18.559 ( 7.689 0.000 1.125) 7.771 18.794 ( 1.019 -0.000 -9.571) 9.626 27.340 ( 0.995 0.000 2.246) 2.456 27.461 ( 0.340 0.000 -0.056) 0.345 29.873 ( 0.757 0.000 6.192) 6.238 30.139 ( -2.700 0.000 10.040) 10.397 30.475 ( 8.655 -0.000 -3.698) 9.412 30.563 ( 2.282 0.000 9.566) 9.835 31.207 ( -2.110 0.000 13.055) 13.224 32.221 ( -6.295 0.000 -18.311) 19.363 ======================= Grid point 346 (118/180) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( 5.687 0.000 10.814) 12.218 4.090 ( 13.738 0.000 22.179) 26.089 4.445 ( 11.958 -0.000 24.710) 27.452 5.121 ( -1.388 0.000 -1.549) 2.080 5.278 ( -7.579 -0.000 -5.992) 9.662 5.678 ( 5.132 -0.000 10.586) 11.764 5.910 ( 7.240 0.000 5.030) 8.815 6.312 ( 4.781 0.000 -11.110) 12.095 6.325 ( 5.831 -0.000 -3.149) 6.627 6.711 ( -0.350 0.000 -14.798) 14.802 7.013 ( 6.588 -0.000 -16.621) 17.879 7.382 ( 3.061 0.000 -18.766) 19.014 9.872 ( 1.839 0.000 -4.813) 5.152 10.339 ( 1.393 0.000 -10.968) 11.056 10.741 ( 16.513 0.000 -4.075) 17.008 10.856 ( 15.668 -0.000 -3.749) 16.111 11.346 ( -0.906 -0.000 -16.153) 16.179 11.459 ( -8.481 0.000 -3.598) 9.212 11.710 ( -10.941 0.000 -4.398) 11.792 11.757 ( -5.097 -0.000 -13.942) 14.844 12.474 ( 1.651 0.000 15.925) 16.010 12.966 ( 1.948 0.000 9.333) 9.534 13.366 ( -0.087 -0.000 2.036) 2.038 13.514 ( -5.386 -0.000 -0.152) 5.388 13.520 ( -0.137 0.000 3.772) 3.774 13.705 ( -5.833 -0.000 -4.017) 7.083 13.950 ( -0.305 0.000 2.655) 2.673 14.185 ( -8.902 0.000 6.726) 11.157 14.481 ( -0.018 -0.000 2.517) 2.517 14.600 ( 11.362 0.000 2.892) 11.725 15.059 ( 0.198 0.000 0.894) 0.916 15.396 ( -5.314 0.000 -1.676) 5.572 15.984 ( 2.235 0.000 3.134) 3.849 16.363 ( 1.449 -0.000 5.276) 5.472 17.624 ( -10.133 0.000 6.072) 11.813 17.777 ( -12.532 -0.000 4.773) 13.410 18.019 ( 0.275 0.000 2.438) 2.454 18.057 ( 0.617 -0.000 11.565) 11.581 18.690 ( 4.840 0.000 1.766) 5.153 18.810 ( 0.366 -0.000 -6.423) 6.433 27.370 ( 1.849 0.000 2.199) 2.873 27.468 ( 0.247 0.000 0.309) 0.395 29.899 ( 1.832 0.000 8.846) 9.034 30.098 ( -1.470 0.000 12.329) 12.416 30.619 ( 2.832 -0.000 10.764) 11.130 30.649 ( 6.797 0.000 2.079) 7.108 31.183 ( 1.195 0.000 2.924) 3.159 32.042 ( -10.720 -0.000 -18.650) 21.511 ======================= Grid point 348 (119/180) ======================= q-point: ( 0.38 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.118 ( 9.033 0.000 9.479) 13.094 4.319 ( 6.499 -0.000 18.794) 19.886 4.655 ( 8.281 -0.000 13.811) 16.104 5.026 ( -7.147 -0.000 -1.037) 7.222 5.220 ( 3.123 0.000 4.138) 5.184 5.615 ( -9.963 -0.000 17.029) 19.729 6.079 ( 9.105 0.000 9.360) 13.058 6.328 ( -3.234 -0.000 -2.259) 3.945 6.503 ( 11.022 0.000 -10.404) 15.157 6.750 ( 1.044 -0.000 -9.182) 9.242 7.187 ( 9.454 0.000 -30.525) 31.955 7.413 ( -0.262 0.000 -27.460) 27.461 9.978 ( 8.426 0.000 -2.677) 8.841 10.331 ( -3.118 0.000 -7.147) 7.798 11.032 ( 9.119 0.000 -6.366) 11.121 11.105 ( 5.984 -0.000 -9.462) 11.195 11.287 ( -6.536 0.000 -2.992) 7.189 11.331 ( -3.569 0.000 -5.102) 6.226 11.609 ( 6.329 0.000 -5.109) 8.134 11.778 ( 7.335 0.000 -6.677) 9.919 12.499 ( 1.353 0.000 8.959) 9.060 12.966 ( -1.909 0.000 7.193) 7.442 13.178 ( -12.459 0.000 3.294) 12.887 13.180 ( -23.167 -0.000 -1.198) 23.198 13.591 ( 4.305 0.000 -0.455) 4.329 13.660 ( 0.065 -0.000 -2.971) 2.971 14.009 ( 3.971 0.000 0.367) 3.988 14.084 ( -1.567 0.000 3.883) 4.187 14.537 ( 5.800 0.000 9.198) 10.874 14.802 ( 3.896 0.000 10.301) 11.013 15.038 ( 0.482 0.000 3.297) 3.332 15.278 ( -6.080 0.000 1.681) 6.308 16.075 ( 6.723 0.000 -5.650) 8.782 16.351 ( -3.064 -0.000 -1.086) 3.251 17.453 ( -5.670 0.000 7.164) 9.137 17.539 ( -9.655 -0.000 5.136) 10.936 18.041 ( 1.442 0.000 3.080) 3.401 18.068 ( 0.342 -0.000 8.252) 8.259 18.760 ( 2.181 0.000 1.246) 2.512 18.807 ( -0.565 -0.000 -3.024) 3.076 27.411 ( 2.045 0.000 1.911) 2.799 27.467 ( -0.436 0.000 0.827) 0.935 29.949 ( 2.976 0.000 11.763) 12.133 30.066 ( -1.904 0.000 14.002) 14.131 30.669 ( 1.905 0.000 12.622) 12.765 30.716 ( 0.200 -0.000 12.021) 12.023 31.297 ( 9.610 0.000 -11.803) 15.221 31.798 ( -12.689 -0.000 -18.803) 22.684 ======================= Grid point 350 (120/180) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.298 ( -4.750 -2.881 11.475) 12.749 4.298 ( 4.750 2.881 11.475) 12.749 4.844 ( -9.949 -0.043 3.893) 10.683 4.844 ( 9.949 0.043 3.893) 10.683 5.382 ( -4.049 -12.950 16.716) 21.529 5.382 ( 4.049 12.950 16.716) 21.529 6.235 ( -1.148 -14.442 1.397) 14.554 6.235 ( 1.148 14.442 1.397) 14.554 6.692 ( -3.382 -4.769 -6.600) 8.817 6.692 ( 3.382 4.769 -6.600) 8.817 7.354 ( -5.673 -0.164 -33.036) 33.520 7.354 ( 5.673 0.164 -33.036) 33.520 10.186 ( -10.027 -0.251 -2.574) 10.355 10.186 ( 10.027 0.251 -2.574) 10.355 11.131 ( -1.836 -0.384 -9.674) 9.854 11.131 ( 1.836 0.384 -9.674) 9.854 11.239 ( -1.727 -0.160 -8.968) 9.134 11.239 ( 1.727 0.160 -8.968) 9.134 11.837 ( -6.953 -0.624 6.054) 9.240 11.837 ( 6.953 0.624 6.054) 9.240 12.664 ( -18.059 -0.214 -3.656) 18.426 12.664 ( 18.059 0.214 -3.656) 18.426 13.008 ( -2.997 -0.174 5.985) 6.696 13.008 ( 2.997 0.174 5.985) 6.696 13.651 ( -0.618 -1.399 -1.575) 2.196 13.651 ( 0.618 1.399 -1.575) 2.196 14.064 ( -0.237 -3.591 1.339) 3.839 14.064 ( 0.237 3.591 1.339) 3.839 14.705 ( -9.081 -0.134 12.415) 15.382 14.705 ( 9.081 0.134 12.415) 15.382 15.144 ( -3.743 -4.703 3.691) 7.053 15.144 ( 3.743 4.703 3.691) 7.053 16.235 ( -2.355 -11.393 -7.124) 13.642 16.235 ( 2.355 11.393 -7.124) 13.642 17.413 ( -0.340 -6.295 7.029) 9.442 17.413 ( 0.340 6.295 7.029) 9.442 18.065 ( -0.032 -8.023 5.069) 9.490 18.065 ( 0.032 8.023 5.069) 9.490 18.791 ( -0.091 -5.939 -0.289) 5.947 18.791 ( 0.091 5.939 -0.289) 5.947 27.448 ( -0.910 -0.640 1.405) 1.792 27.448 ( 0.910 0.640 1.405) 1.792 30.014 ( -3.096 -0.002 13.806) 14.149 30.014 ( 3.096 0.002 13.806) 14.149 30.700 ( -0.266 -2.727 13.968) 14.234 30.700 ( 0.266 2.727 13.968) 14.234 31.535 ( -11.891 -0.808 -17.552) 21.216 31.535 ( 11.891 0.808 -17.552) 21.216 ======================= Grid point 396 (121/180) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 0.000 0.000 32.681) 32.681 3.323 ( 0.000 0.000 31.803) 31.803 4.244 ( 0.000 0.000 -11.967) 11.967 4.313 ( 0.000 0.000 -25.892) 25.892 5.322 ( 0.000 0.000 31.518) 31.518 5.409 ( 0.000 0.000 -10.580) 10.580 5.419 ( 0.000 0.000 -1.717) 1.717 5.631 ( 0.000 0.000 -13.521) 13.521 6.016 ( 0.000 0.000 -1.484) 1.484 6.043 ( 0.000 0.000 -27.663) 27.663 6.867 ( 0.000 0.000 6.605) 6.605 7.372 ( 0.000 0.000 -16.749) 16.749 10.319 ( 0.000 0.000 6.450) 6.450 10.686 ( 0.000 0.000 -7.585) 7.585 11.062 ( 0.000 0.000 3.042) 3.042 11.193 ( 0.000 0.000 -3.221) 3.221 11.644 ( 0.000 0.000 -6.207) 6.207 11.961 ( 0.000 0.000 -16.369) 16.369 12.028 ( 0.000 0.000 1.865) 1.865 12.062 ( 0.000 0.000 0.979) 0.979 12.668 ( 0.000 0.000 1.839) 1.839 12.712 ( 0.000 0.000 1.831) 1.831 13.008 ( 0.000 0.000 6.365) 6.365 13.225 ( 0.000 0.000 -3.229) 3.229 13.821 ( 0.000 0.000 4.091) 4.091 13.923 ( 0.000 0.000 0.572) 0.572 14.224 ( 0.000 0.000 8.631) 8.631 14.372 ( 0.000 0.000 4.088) 4.088 14.667 ( 0.000 0.000 1.017) 1.017 14.707 ( 0.000 0.000 -0.686) 0.686 15.111 ( 0.000 0.000 1.777) 1.777 15.312 ( 0.000 0.000 -7.701) 7.701 15.985 ( 0.000 0.000 2.315) 2.315 16.115 ( 0.000 0.000 -2.223) 2.223 17.551 ( 0.000 0.000 5.785) 5.785 17.729 ( 0.000 0.000 -3.032) 3.032 17.940 ( 0.000 0.000 11.155) 11.155 18.309 ( 0.000 0.000 -6.232) 6.232 18.498 ( 0.000 0.000 10.611) 10.611 18.784 ( 0.000 0.000 -1.993) 1.993 27.302 ( 0.000 0.000 2.965) 2.965 27.386 ( 0.000 0.000 -0.971) 0.971 29.894 ( 0.000 0.000 9.519) 9.519 30.021 ( 0.000 0.000 4.967) 4.967 30.236 ( 0.000 0.000 -5.054) 5.054 30.317 ( 0.000 0.000 -10.306) 10.306 31.555 ( 0.000 0.000 18.112) 18.112 32.227 ( 0.000 0.000 -13.625) 13.625 ======================= Grid point 397 (122/180) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 10.472 0.000 30.325) 32.082 3.483 ( 13.219 0.000 29.567) 32.387 4.350 ( 3.837 0.000 -23.205) 23.520 4.392 ( 12.771 0.000 -11.179) 16.973 5.224 ( -8.363 0.000 -2.075) 8.617 5.363 ( 2.880 0.000 21.403) 21.596 5.472 ( -4.149 0.000 -8.349) 9.323 5.579 ( -2.839 0.000 -5.532) 6.218 6.096 ( 4.379 0.000 -27.212) 27.562 6.102 ( 9.596 0.000 -1.813) 9.766 7.001 ( 11.157 0.000 4.663) 12.092 7.381 ( 0.531 0.000 -13.544) 13.555 10.240 ( -4.782 0.000 3.645) 6.013 10.521 ( -10.409 0.000 -6.617) 12.334 11.159 ( 2.593 0.000 0.985) 2.773 11.191 ( -9.133 0.000 -4.225) 10.063 11.534 ( 4.567 0.000 -2.294) 5.111 11.693 ( -10.725 0.000 -9.167) 14.109 12.269 ( 11.218 0.000 0.809) 11.247 12.316 ( 6.936 0.000 0.346) 6.944 12.630 ( -0.178 0.000 0.686) 0.708 12.675 ( 3.258 0.000 0.342) 3.276 13.107 ( 6.450 0.000 3.402) 7.292 13.251 ( 1.778 0.000 -2.207) 2.834 13.831 ( 1.138 0.000 4.457) 4.600 13.931 ( 0.817 0.000 0.797) 1.141 14.217 ( -0.979 0.000 7.761) 7.822 14.359 ( -1.524 0.000 3.693) 3.995 14.667 ( 0.039 0.000 1.217) 1.218 14.686 ( -1.970 0.000 0.177) 1.978 15.019 ( -7.590 0.000 -1.758) 7.791 15.114 ( -15.890 0.000 -6.320) 17.101 16.054 ( 5.927 0.000 4.106) 7.210 16.226 ( 8.160 0.000 -2.843) 8.641 17.525 ( -2.157 0.000 5.706) 6.100 17.658 ( -4.487 0.000 1.028) 4.603 18.034 ( 6.511 0.000 7.129) 9.654 18.330 ( 1.093 0.000 -2.558) 2.782 18.477 ( -1.263 0.000 6.891) 7.005 18.726 ( -5.108 0.000 -1.711) 5.387 27.303 ( 0.161 0.000 2.850) 2.855 27.384 ( -0.220 0.000 -0.891) 0.918 29.889 ( -0.261 0.000 6.428) 6.433 30.046 ( 1.951 0.000 6.710) 6.987 30.118 ( -6.983 0.000 -4.548) 8.333 30.402 ( 3.559 0.000 -9.441) 10.089 31.579 ( 2.554 0.000 16.642) 16.837 32.205 ( -2.086 0.000 -12.674) 12.844 ======================= Grid point 398 (123/180) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( 18.898 0.000 24.485) 30.929 3.756 ( 12.021 0.000 27.144) 29.686 4.468 ( 6.862 0.000 -15.889) 17.308 4.615 ( 3.557 0.000 -2.187) 4.175 5.170 ( 6.087 0.000 -5.959) 8.518 5.289 ( -9.897 0.000 -11.581) 15.234 5.304 ( -9.491 0.000 -8.282) 12.597 5.694 ( 12.977 0.000 16.695) 21.145 6.196 ( 5.278 0.000 -22.207) 22.826 6.363 ( 13.485 0.000 -2.973) 13.809 7.236 ( 10.095 0.000 1.224) 10.169 7.377 ( -0.870 0.000 -7.106) 7.159 10.228 ( 4.684 0.000 0.167) 4.687 10.387 ( -1.317 0.000 -4.669) 4.851 10.902 ( -14.534 0.000 -6.782) 16.039 11.021 ( -13.550 0.000 -8.968) 16.249 11.635 ( 2.452 0.000 2.271) 3.342 11.763 ( 12.254 0.000 -1.516) 12.347 12.228 ( -11.267 0.000 2.604) 11.564 12.247 ( -8.481 0.000 5.092) 9.893 12.813 ( 13.357 0.000 2.251) 13.545 12.926 ( 14.996 0.000 -1.101) 15.037 13.214 ( 4.719 0.000 0.416) 4.737 13.282 ( 1.790 0.000 -1.413) 2.281 13.865 ( 1.611 0.000 3.934) 4.251 13.945 ( -0.248 0.000 0.694) 0.737 14.167 ( -4.124 0.000 4.775) 6.310 14.305 ( -3.376 0.000 2.725) 4.338 14.620 ( -4.962 0.000 2.189) 5.423 14.622 ( -8.291 0.000 1.876) 8.501 14.833 ( -5.749 0.000 -5.919) 8.251 14.877 ( -4.321 0.000 -6.681) 7.957 16.192 ( 6.909 0.000 6.197) 9.281 16.373 ( 5.371 0.000 -1.691) 5.631 17.484 ( -1.356 0.000 5.359) 5.528 17.586 ( -2.416 0.000 2.323) 3.352 18.141 ( 2.932 0.000 7.096) 7.678 18.297 ( -4.288 0.000 8.153) 9.212 18.492 ( 2.526 0.000 -3.964) 4.701 18.611 ( -4.888 0.000 -2.481) 5.481 27.312 ( 0.772 0.000 2.385) 2.506 27.378 ( -0.328 0.000 -0.588) 0.673 29.888 ( 0.137 0.000 2.772) 2.775 29.991 ( -5.103 0.000 -2.086) 5.513 30.087 ( 1.970 0.000 7.093) 7.361 30.420 ( -1.886 0.000 -7.724) 7.951 31.666 ( 5.813 0.000 12.086) 13.411 32.147 ( -3.468 0.000 -9.915) 10.504 ======================= Grid point 399 (124/180) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.911 ( 21.594 0.000 17.076) 27.530 3.984 ( 10.809 0.000 25.930) 28.092 4.520 ( -9.156 0.000 13.557) 16.360 4.574 ( 1.505 0.000 -4.991) 5.213 5.050 ( -11.200 0.000 -12.862) 17.055 5.090 ( -8.609 0.000 -11.029) 13.992 5.478 ( 17.387 0.000 -16.894) 24.243 5.899 ( 2.724 0.000 -11.392) 11.713 6.351 ( 10.484 0.000 -1.992) 10.672 6.570 ( 5.077 0.000 -1.497) 5.293 7.370 ( 0.956 0.000 -1.818) 2.054 7.382 ( 4.071 0.000 -0.667) 4.125 10.403 ( 9.683 0.000 -1.748) 9.840 10.456 ( 5.539 0.000 -1.480) 5.733 10.664 ( -7.110 0.000 -9.463) 11.836 10.751 ( -9.943 0.000 -13.438) 16.717 11.672 ( 0.210 0.000 7.314) 7.317 11.933 ( -7.982 0.000 -2.387) 8.332 11.968 ( -0.622 0.000 5.412) 5.448 12.086 ( -5.622 0.000 3.521) 6.633 13.014 ( 5.215 0.000 6.601) 8.412 13.092 ( 1.091 0.000 4.275) 4.412 13.382 ( 8.842 0.000 -1.201) 8.923 13.405 ( 13.365 0.000 -2.703) 13.635 13.838 ( -5.804 0.000 1.143) 5.915 13.884 ( -5.993 0.000 -0.772) 6.042 14.096 ( -0.683 0.000 1.843) 1.966 14.244 ( -3.108 0.000 1.597) 3.494 14.405 ( -7.718 0.000 -0.893) 7.770 14.490 ( -6.695 0.000 0.360) 6.705 14.842 ( 2.470 0.000 -3.489) 4.275 14.857 ( 1.121 0.000 -5.061) 5.184 16.323 ( 5.529 0.000 6.336) 8.409 16.436 ( 0.799 0.000 1.317) 1.540 17.480 ( 0.981 0.000 4.151) 4.266 17.550 ( -1.443 0.000 1.763) 2.278 18.146 ( -1.563 0.000 10.476) 10.592 18.197 ( -4.650 0.000 10.630) 11.602 18.543 ( 1.900 0.000 -6.129) 6.417 18.559 ( -0.381 0.000 -5.020) 5.034 27.333 ( 1.149 0.000 1.610) 1.978 27.370 ( -0.537 0.000 -0.014) 0.537 29.890 ( -0.080 0.000 1.730) 1.732 29.914 ( -2.376 0.000 0.194) 2.384 30.136 ( 3.162 0.000 3.938) 5.050 30.339 ( -5.389 0.000 -4.515) 7.030 31.804 ( 7.254 0.000 5.887) 9.343 32.062 ( -4.794 0.000 -5.616) 7.384 ======================= Grid point 400 (125/180) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( -2.563 0.000 19.184) 19.355 4.181 ( 2.563 0.000 19.184) 19.355 4.446 ( -9.773 0.000 11.891) 15.392 4.446 ( 9.773 0.000 11.891) 15.392 4.960 ( -1.498 0.000 -14.504) 14.581 4.960 ( 1.498 0.000 -14.504) 14.581 5.791 ( -11.586 0.000 -21.464) 24.391 5.791 ( 11.586 0.000 -21.464) 24.391 6.549 ( -5.318 0.000 1.381) 5.494 6.549 ( 5.318 0.000 1.381) 5.494 7.407 ( -0.551 0.000 0.310) 0.633 7.407 ( 0.551 0.000 0.310) 0.633 10.489 ( -0.329 0.000 -6.393) 6.401 10.489 ( 0.329 0.000 -6.393) 6.401 10.663 ( -1.293 0.000 -7.275) 7.389 10.663 ( 1.293 0.000 -7.275) 7.389 11.707 ( -4.933 0.000 5.208) 7.173 11.707 ( 4.933 0.000 5.208) 7.173 12.025 ( -0.315 0.000 2.463) 2.483 12.025 ( 0.315 0.000 2.463) 2.483 13.074 ( -0.345 0.000 5.557) 5.568 13.074 ( 0.345 0.000 5.557) 5.568 13.578 ( -1.537 0.000 1.842) 2.399 13.578 ( 1.537 0.000 1.842) 2.399 13.733 ( -1.319 0.000 -3.355) 3.605 13.733 ( 1.319 0.000 -3.355) 3.605 14.146 ( -2.563 0.000 0.133) 2.566 14.146 ( 2.563 0.000 0.133) 2.566 14.379 ( -1.454 0.000 -0.451) 1.522 14.379 ( 1.454 0.000 -0.451) 1.522 14.873 ( -0.020 0.000 -3.547) 3.547 14.873 ( 0.020 0.000 -3.547) 3.547 16.412 ( -1.130 0.000 4.474) 4.614 16.412 ( 1.130 0.000 4.474) 4.614 17.515 ( -2.025 0.000 2.288) 3.056 17.515 ( 2.025 0.000 2.288) 3.056 18.133 ( -0.202 0.000 11.515) 11.517 18.133 ( 0.202 0.000 11.515) 11.517 18.562 ( -0.000 0.000 -6.079) 6.079 18.562 ( 0.000 0.000 -6.079) 6.079 27.355 ( -0.595 0.000 0.758) 0.963 27.355 ( 0.595 0.000 0.758) 0.963 29.889 ( -0.043 0.000 1.553) 1.554 29.889 ( 0.043 0.000 1.553) 1.554 30.224 ( -4.002 0.000 -0.632) 4.052 30.224 ( 4.002 0.000 -0.632) 4.052 31.947 ( -6.003 0.000 -0.210) 6.006 31.947 ( 6.003 0.000 -0.210) 6.006 ======================= Grid point 405 (126/180) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 0.000 22.810 29.812) 37.537 3.390 ( 0.000 6.828 30.738) 31.487 4.306 ( 0.000 6.308 -12.432) 13.940 4.480 ( 0.000 15.978 -24.011) 28.842 5.226 ( 0.000 -6.256 12.193) 13.704 5.416 ( 0.000 -5.581 -4.111) 6.932 5.429 ( 0.000 0.967 -1.448) 1.742 5.620 ( 0.000 6.148 5.525) 8.266 6.022 ( 0.000 -2.283 -25.444) 25.546 6.186 ( 0.000 14.413 -5.821) 15.544 6.782 ( 0.000 -8.448 6.444) 10.625 7.317 ( 0.000 -5.757 -17.701) 18.613 10.241 ( 0.000 -7.723 5.527) 9.497 10.551 ( 0.000 -11.916 -6.936) 13.788 10.854 ( 0.000 -16.924 5.677) 17.851 11.109 ( 0.000 -10.160 -6.303) 11.957 11.675 ( 0.000 1.368 -7.703) 7.823 11.938 ( 0.000 -2.862 -16.928) 17.169 11.967 ( 0.000 -1.921 3.445) 3.944 12.115 ( 0.000 1.044 -3.134) 3.303 12.784 ( 0.000 13.227 4.786) 14.066 12.893 ( 0.000 14.560 0.779) 14.581 12.945 ( 0.000 -5.555 8.815) 10.419 13.236 ( 0.000 0.829 -3.630) 3.723 13.704 ( 0.000 -9.043 4.313) 10.019 13.858 ( 0.000 -6.945 -2.116) 7.260 14.195 ( 0.000 -2.741 9.716) 10.096 14.370 ( 0.000 -0.182 3.701) 3.705 14.677 ( 0.000 1.685 4.227) 4.550 14.813 ( 0.000 6.647 -2.268) 7.023 15.106 ( 0.000 -0.453 2.197) 2.243 15.322 ( 0.000 0.963 -7.822) 7.881 15.973 ( 0.000 0.199 4.472) 4.477 16.201 ( 0.000 7.108 -4.672) 8.506 17.513 ( 0.000 -2.327 7.494) 7.847 17.754 ( 0.000 2.410 -3.981) 4.654 17.954 ( 0.000 1.458 10.754) 10.853 18.313 ( 0.000 0.396 -6.111) 6.124 18.514 ( 0.000 1.344 10.240) 10.327 18.781 ( 0.000 -0.364 -1.598) 1.639 27.308 ( 0.000 0.659 2.870) 2.944 27.391 ( 0.000 0.457 -0.957) 1.061 29.901 ( 0.000 0.720 9.247) 9.275 30.057 ( 0.000 3.708 5.944) 7.005 30.304 ( 0.000 6.548 -5.356) 8.460 30.311 ( 0.000 -0.601 -9.973) 9.991 31.535 ( 0.000 -1.860 17.812) 17.908 32.196 ( 0.000 -3.108 -13.524) 13.876 ======================= Grid point 406 (127/180) ======================= q-point: ( 0.12 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( 7.490 17.154 29.118) 34.615 3.565 ( 13.254 9.410 28.112) 32.473 4.425 ( 9.036 5.734 -13.045) 16.873 4.525 ( 5.589 14.497 -20.317) 25.577 5.196 ( -4.399 -2.637 0.293) 5.137 5.311 ( -4.004 -6.784 -1.107) 7.955 5.428 ( -1.104 1.868 8.498) 8.770 5.687 ( 2.968 7.662 1.975) 8.451 6.078 ( 4.564 -0.844 -24.595) 25.029 6.205 ( 4.498 9.028 -5.266) 11.378 6.909 ( 10.220 -8.938 5.150) 14.520 7.334 ( 1.545 -4.974 -14.785) 15.676 10.175 ( -3.678 -6.337 2.855) 7.864 10.423 ( -7.505 -8.814 -6.547) 13.300 10.973 ( 5.406 -14.062 4.430) 15.703 11.210 ( 2.428 -5.642 -6.223) 8.744 11.462 ( -6.413 -3.113 -3.402) 7.898 11.691 ( -11.833 -1.267 -11.842) 16.789 12.176 ( 8.272 -5.304 0.737) 9.853 12.328 ( 8.356 -2.256 -4.049) 9.556 12.720 ( -3.900 8.339 5.109) 10.529 12.782 ( -0.912 7.512 3.447) 8.315 13.109 ( 7.253 1.625 2.845) 7.958 13.275 ( 3.729 2.510 -2.823) 5.308 13.718 ( 1.436 -8.064 4.420) 9.308 13.872 ( 1.445 -6.406 -1.928) 6.844 14.192 ( -0.734 -2.115 9.306) 9.572 14.371 ( -0.196 0.625 4.037) 4.090 14.650 ( -2.731 -0.983 3.369) 4.446 14.770 ( -4.251 4.633 -2.547) 6.784 15.038 ( -5.579 2.621 0.051) 6.165 15.194 ( -10.021 6.731 -6.815) 13.862 16.040 ( 5.327 -0.793 5.186) 7.477 16.258 ( 4.695 2.790 -3.943) 6.736 17.495 ( -1.419 -1.447 7.356) 7.630 17.688 ( -4.273 2.675 -0.011) 5.041 18.042 ( 6.008 0.787 6.732) 9.057 18.320 ( -0.012 -1.015 -2.512) 2.710 18.499 ( -0.930 1.907 6.810) 7.133 18.732 ( -4.224 0.543 -1.561) 4.536 27.310 ( 0.276 0.789 2.747) 2.872 27.390 ( -0.120 0.564 -0.874) 1.047 29.904 ( 0.278 1.395 6.810) 6.957 30.070 ( 0.582 2.820 6.754) 7.342 30.162 ( -5.854 3.716 -4.358) 8.190 30.440 ( 4.725 4.108 -9.411) 11.303 31.550 ( 1.708 -2.843 16.593) 16.921 32.169 ( -2.476 -3.545 -12.635) 13.355 ======================= Grid point 407 (128/180) ======================= q-point: ( 0.25 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( 15.526 11.788 25.018) 31.716 3.836 ( 12.378 8.856 25.935) 30.071 4.565 ( 4.811 7.312 -11.397) 14.370 4.675 ( 3.245 7.759 -7.575) 11.318 5.115 ( -4.266 -4.562 -6.353) 8.909 5.232 ( 1.077 -0.181 -1.999) 2.278 5.412 ( -3.357 5.779 -10.868) 12.758 5.773 ( 8.306 7.479 14.052) 17.955 6.178 ( 4.990 -1.263 -21.292) 21.905 6.381 ( 10.007 1.521 -5.698) 11.616 7.116 ( 8.786 -10.415 3.705) 14.121 7.380 ( 3.092 -1.282 -9.094) 9.690 10.182 ( 5.123 -4.180 -0.086) 6.613 10.359 ( 2.410 -3.171 -6.351) 7.496 10.897 ( -11.213 -1.019 -3.107) 11.680 11.049 ( -11.771 2.057 -8.859) 14.875 11.558 ( 4.079 -7.674 -0.183) 8.693 11.638 ( 9.306 -10.908 -2.617) 14.575 12.170 ( -7.404 -3.889 3.030) 8.895 12.278 ( -10.416 0.438 0.372) 10.432 12.740 ( 4.061 -5.842 6.675) 9.756 12.913 ( 10.258 -1.729 -2.331) 10.660 13.172 ( 0.224 -0.440 5.349) 5.372 13.405 ( 8.116 6.330 -4.732) 11.328 13.761 ( 2.439 -5.515 3.713) 7.081 13.913 ( 2.019 -4.577 -2.106) 5.427 14.142 ( -4.252 -0.692 8.222) 9.282 14.353 ( -1.550 2.169 5.231) 5.871 14.555 ( -6.261 -2.304 -2.617) 7.166 14.651 ( -7.165 -0.138 -1.479) 7.318 14.930 ( -3.545 9.361 -2.422) 10.298 15.025 ( -4.893 11.692 -4.540) 13.463 16.155 ( 5.407 -3.540 6.702) 9.311 16.355 ( 4.130 -1.736 -2.455) 5.109 17.471 ( -0.631 -0.015 6.719) 6.748 17.614 ( -2.874 2.401 1.626) 4.083 18.135 ( 1.952 -0.750 6.344) 6.679 18.286 ( -2.970 -1.490 5.817) 6.699 18.493 ( 0.046 0.654 -0.680) 0.945 18.649 ( -2.567 3.489 -3.151) 5.356 27.322 ( 0.846 0.998 2.311) 2.656 27.387 ( -0.159 0.845 -0.577) 1.035 29.910 ( 0.162 2.052 3.655) 4.194 30.021 ( -3.942 3.045 0.527) 5.009 30.132 ( 1.615 4.492 5.070) 6.963 30.480 ( -0.995 6.146 -8.483) 10.523 31.618 ( 4.969 -4.854 12.308) 14.132 32.101 ( -3.966 -4.555 -10.028) 11.707 ======================= Grid point 408 (129/180) ======================= q-point: ( 0.38 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( 15.112 4.047 22.703) 27.571 4.105 ( 14.903 11.377 20.162) 27.533 4.526 ( -8.230 1.092 9.912) 12.929 4.693 ( -0.507 10.946 -4.466) 11.833 4.976 ( -6.162 -2.955 -8.056) 10.564 5.181 ( -9.195 6.262 -5.951) 12.616 5.534 ( 15.169 5.301 -19.702) 25.423 5.924 ( 2.160 2.466 -9.409) 9.963 6.299 ( 7.216 -4.685 -5.365) 10.139 6.517 ( 2.077 -5.033 -5.560) 7.782 7.283 ( 8.184 -4.949 3.712) 10.259 7.448 ( 2.514 2.109 -3.651) 4.909 10.357 ( 10.002 -2.564 -1.819) 10.484 10.490 ( 6.319 -0.516 -6.279) 8.923 10.690 ( -5.100 4.869 -5.798) 9.129 10.818 ( -8.578 5.250 -11.831) 15.528 11.610 ( 0.491 -5.935 5.805) 8.317 11.809 ( 2.336 -11.503 -1.938) 11.896 11.951 ( -10.319 -0.990 5.175) 11.586 12.084 ( -5.473 -1.685 1.489) 5.917 12.809 ( 2.586 -13.469 7.756) 15.756 12.994 ( -2.977 -14.048 -0.772) 14.381 13.264 ( 8.645 -2.211 4.250) 9.884 13.557 ( 5.592 2.459 -5.526) 8.237 13.789 ( -0.471 -0.765 4.049) 4.147 13.918 ( -1.477 1.333 -0.368) 2.023 14.079 ( -0.221 -1.128 3.688) 3.863 14.315 ( -1.610 5.146 3.883) 6.645 14.432 ( -5.350 4.480 -5.949) 9.169 14.489 ( -7.134 -0.332 -1.114) 7.228 14.919 ( 1.506 8.250 -2.153) 8.658 14.976 ( -0.879 9.293 -3.157) 9.854 16.249 ( 3.506 -7.154 7.467) 10.919 16.417 ( 1.830 -1.931 -1.035) 2.855 17.476 ( 1.120 0.337 5.379) 5.505 17.564 ( -2.209 1.405 1.800) 3.177 18.112 ( -2.908 -2.995 9.494) 10.371 18.230 ( -2.251 1.946 8.810) 9.299 18.496 ( 0.518 -1.212 -3.472) 3.714 18.638 ( 0.590 4.985 -5.640) 7.550 27.342 ( 1.046 1.007 1.646) 2.195 27.382 ( -0.293 1.233 -0.062) 1.269 29.908 ( -0.169 2.234 3.061) 3.793 29.960 ( -1.985 4.143 2.011) 5.015 30.182 ( 3.366 4.971 2.964) 6.695 30.412 ( -4.941 7.365 -5.563) 10.470 31.744 ( 6.869 -6.163 5.984) 10.999 32.009 ( -5.062 -5.459 -5.876) 9.485 ======================= Grid point 409 (130/180) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.171 ( 0.000 1.901 22.328) 22.409 4.264 ( -0.000 4.445 17.335) 17.896 4.514 ( -0.000 6.332 9.115) 11.098 4.538 ( 0.000 10.063 7.958) 12.829 4.942 ( -0.000 0.554 -6.883) 6.905 5.049 ( 0.000 7.853 -11.343) 13.796 5.812 ( 0.000 2.845 -18.429) 18.648 5.831 ( -0.000 3.090 -23.712) 23.912 6.418 ( -0.000 -9.684 0.435) 9.694 6.497 ( 0.000 -6.640 -6.151) 9.051 7.413 ( -0.000 1.201 2.534) 2.804 7.449 ( 0.000 1.634 1.243) 2.053 10.478 ( -0.000 -0.092 -7.057) 7.058 10.498 ( 0.000 -0.769 -8.278) 8.314 10.695 ( 0.000 4.852 -4.534) 6.641 10.766 ( 0.000 7.961 -7.281) 10.789 11.625 ( -0.000 -4.991 3.683) 6.203 11.678 ( 0.000 -5.972 3.000) 6.684 11.919 ( -0.000 -5.736 4.596) 7.351 12.046 ( 0.000 -2.071 1.871) 2.791 12.850 ( -0.000 -15.561 7.184) 17.139 12.931 ( 0.000 -15.973 1.901) 16.086 13.378 ( -0.000 -10.672 0.564) 10.686 13.608 ( 0.000 -3.346 -6.628) 7.425 13.770 ( -0.000 7.378 8.911) 11.569 13.901 ( 0.000 4.520 -0.085) 4.521 14.093 ( 0.000 -2.242 -0.054) 2.243 14.306 ( -0.000 13.812 -0.661) 13.828 14.353 ( 0.000 2.525 1.968) 3.201 14.414 ( 0.000 -0.617 -5.611) 5.645 14.945 ( 0.000 7.929 -2.331) 8.265 14.965 ( 0.000 6.737 -2.493) 7.183 16.288 ( 0.000 -9.209 7.564) 11.918 16.434 ( 0.000 -0.840 -0.417) 0.938 17.507 ( -0.000 -0.809 3.846) 3.930 17.523 ( 0.000 1.685 2.492) 3.008 18.074 ( -0.000 -3.363 10.790) 11.302 18.204 ( 0.000 3.528 9.455) 10.092 18.505 ( 0.000 -1.581 -4.166) 4.455 18.646 ( 0.000 4.876 -6.209) 7.895 27.356 ( -0.000 0.728 1.169) 1.377 27.377 ( 0.000 1.655 0.359) 1.693 29.908 ( -0.000 2.873 3.558) 4.574 29.937 ( 0.000 3.804 2.774) 4.708 30.247 ( -0.000 4.757 -0.092) 4.758 30.328 ( 0.000 8.304 -3.065) 8.852 31.865 ( 0.000 -7.269 0.599) 7.293 31.909 ( -0.000 -5.042 -1.343) 5.218 ======================= Grid point 414 (131/180) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.572 ( 0.000 11.781 28.132) 30.499 3.788 ( 0.000 23.378 26.595) 35.409 4.474 ( 0.000 10.884 -13.582) 17.405 4.806 ( 0.000 12.416 -10.597) 16.323 5.135 ( 0.000 -0.929 -7.035) 7.096 5.310 ( 0.000 -2.205 -3.544) 4.174 5.455 ( 0.000 1.713 -0.950) 1.959 5.866 ( 0.000 19.012 18.705) 26.671 5.947 ( 0.000 -5.812 -18.646) 19.531 6.510 ( 0.000 18.935 -6.644) 20.067 6.569 ( 0.000 -12.828 4.801) 13.698 7.154 ( 0.000 -11.023 -19.452) 22.359 10.055 ( 0.000 -10.541 3.800) 11.205 10.315 ( 0.000 -11.230 -7.839) 13.695 10.519 ( 0.000 -16.545 6.555) 17.796 10.850 ( 0.000 -15.224 -8.441) 17.407 11.635 ( 0.000 -6.137 -9.249) 11.100 11.830 ( 0.000 -8.754 -17.815) 19.850 11.956 ( 0.000 0.327 2.775) 2.795 12.108 ( 0.000 -1.233 -4.103) 4.285 12.844 ( 0.000 -4.073 14.319) 14.887 13.088 ( 0.000 16.030 4.029) 16.529 13.192 ( 0.000 15.492 0.605) 15.504 13.240 ( 0.000 -1.217 -3.373) 3.586 13.544 ( 0.000 -6.916 2.740) 7.439 13.702 ( 0.000 -8.062 -4.876) 9.422 14.138 ( 0.000 -2.523 12.556) 12.807 14.368 ( 0.000 0.099 3.234) 3.235 14.672 ( 0.000 -2.921 5.134) 5.907 14.878 ( 0.000 -1.052 -4.848) 4.960 15.093 ( 0.000 -0.965 3.268) 3.408 15.344 ( 0.000 1.124 -8.046) 8.124 16.022 ( 0.000 4.869 7.628) 9.049 16.322 ( 0.000 4.380 -4.872) 6.551 17.529 ( 0.000 5.159 8.748) 10.156 17.830 ( 0.000 5.991 -4.741) 7.640 17.992 ( 0.000 2.319 9.719) 9.992 18.323 ( 0.000 0.592 -5.792) 5.822 18.533 ( 0.000 0.167 9.579) 9.581 18.767 ( 0.000 -1.146 -1.173) 1.640 27.326 ( 0.000 1.204 2.587) 2.853 27.403 ( 0.000 0.797 -0.896) 1.199 29.920 ( 0.000 1.258 8.488) 8.581 30.156 ( 0.000 6.193 7.911) 10.047 30.295 ( 0.000 -1.068 -9.057) 9.120 30.454 ( 0.000 8.145 -5.006) 9.560 31.495 ( 0.000 -2.011 16.694) 16.815 32.119 ( 0.000 -4.547 -13.449) 14.197 ======================= Grid point 415 (132/180) ======================= q-point: ( 0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 7.687 13.366 27.438) 31.474 3.873 ( 7.929 19.156 25.808) 33.103 4.570 ( 7.565 9.173 -12.464) 17.225 4.829 ( 2.448 12.054 -10.521) 16.186 5.135 ( -0.258 -0.167 -7.866) 7.872 5.245 ( -3.740 0.457 -2.084) 4.306 5.483 ( 1.684 3.164 0.648) 3.642 5.877 ( 2.934 10.762 13.433) 17.461 6.065 ( 7.543 1.721 -19.137) 20.641 6.412 ( -3.430 10.123 -5.527) 12.032 6.706 ( 7.932 -9.504 4.976) 13.342 7.196 ( 4.098 -8.960 -16.770) 19.450 10.023 ( -0.861 -8.570 1.598) 8.760 10.247 ( -2.843 -8.242 -7.961) 11.806 10.669 ( 10.493 -16.264 6.691) 20.479 10.984 ( 10.229 -14.834 -7.084) 19.361 11.438 ( -12.713 -1.787 -6.611) 14.440 11.639 ( -11.709 -4.157 -14.572) 19.150 12.073 ( 4.619 -5.855 0.714) 7.492 12.233 ( 5.396 -7.387 -5.889) 10.880 12.778 ( -5.210 0.328 13.019) 14.027 12.997 ( -5.491 11.731 1.809) 13.079 13.184 ( -0.478 4.945 2.885) 5.745 13.331 ( 5.500 2.276 -2.828) 6.590 13.599 ( 4.793 -3.641 2.985) 6.718 13.751 ( 4.616 -4.614 -4.160) 7.740 14.149 ( 0.720 -1.807 12.118) 12.273 14.378 ( 0.339 0.171 3.921) 3.939 14.606 ( -5.170 -3.568 2.876) 6.909 14.787 ( -7.709 -2.939 -5.457) 9.891 15.105 ( 0.648 2.664 2.345) 3.607 15.309 ( -3.090 4.321 -6.866) 8.681 16.055 ( 2.395 2.839 7.133) 8.042 16.307 ( -0.765 1.976 -3.657) 4.227 17.525 ( -0.361 5.314 8.470) 10.005 17.762 ( -4.531 5.185 -0.107) 6.887 18.065 ( 4.577 1.681 5.116) 7.068 18.295 ( -2.650 -1.478 -2.482) 3.921 18.532 ( -0.136 1.048 7.010) 7.090 18.745 ( -1.665 0.643 -1.723) 2.481 27.331 ( 0.515 1.355 2.472) 2.866 27.404 ( 0.130 0.956 -0.807) 1.258 29.936 ( 1.274 1.863 7.229) 7.573 30.148 ( -1.413 4.778 6.588) 8.260 30.235 ( -2.184 3.878 -3.102) 5.425 30.552 ( 6.222 6.863 -8.725) 12.726 31.483 ( -0.737 -3.682 16.178) 16.608 32.081 ( -3.549 -5.281 -12.747) 14.247 ======================= Grid point 416 (133/180) ======================= q-point: ( 0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.854 ( 10.532 13.088 24.652) 29.832 4.079 ( 11.562 13.982 24.602) 30.569 4.666 ( -0.590 4.166 -6.361) 7.627 4.891 ( 2.892 10.010 -5.897) 11.973 5.088 ( -4.550 3.707 -2.944) 6.566 5.279 ( 7.663 5.704 -3.583) 10.203 5.522 ( 2.155 5.693 -11.413) 12.935 5.951 ( 3.079 10.133 15.522) 18.791 6.172 ( 3.097 1.449 -24.852) 25.086 6.413 ( 1.877 1.912 -9.302) 9.680 6.892 ( 11.348 -11.741 8.037) 18.199 7.313 ( 6.797 -5.442 -10.880) 13.935 10.085 ( 7.291 -5.692 -0.608) 9.270 10.276 ( 5.948 -4.958 -8.770) 11.699 10.822 ( 2.013 -7.150 3.389) 8.164 11.061 ( -6.421 -2.144 -8.473) 10.846 11.355 ( 7.843 -10.743 -2.626) 13.559 11.475 ( -1.991 -5.229 -8.548) 10.216 12.061 ( -5.381 -8.376 0.653) 9.977 12.202 ( -8.319 -9.382 -4.147) 13.207 12.671 ( -4.764 0.398 11.737) 12.674 12.910 ( -4.394 2.600 -1.082) 5.219 13.173 ( 0.251 0.240 6.935) 6.944 13.436 ( 4.396 -3.015 -3.418) 6.333 13.710 ( 5.340 -0.421 3.552) 6.427 13.868 ( 5.722 0.122 -2.740) 6.345 14.136 ( -3.088 0.312 9.030) 9.548 14.354 ( -1.210 -2.218 6.205) 6.699 14.531 ( -3.458 -1.276 -4.537) 5.845 14.632 ( -4.258 -0.800 -4.806) 6.471 15.106 ( -0.747 6.656 1.345) 6.832 15.230 ( -4.178 8.452 -4.577) 10.480 16.085 ( 0.339 -2.765 8.069) 8.537 16.320 ( 2.105 -1.297 -3.620) 4.384 17.515 ( -0.609 4.657 8.113) 9.374 17.678 ( -3.461 4.555 1.870) 6.018 18.108 ( -1.704 -2.270 4.758) 5.540 18.242 ( -1.171 -2.383 1.114) 2.879 18.524 ( -0.491 2.302 4.240) 4.850 18.725 ( 0.011 3.896 -3.576) 5.288 27.348 ( 1.016 1.616 2.133) 2.862 27.408 ( 0.234 1.349 -0.529) 1.468 29.959 ( 0.735 2.931 5.613) 6.375 30.101 ( -2.284 5.115 3.909) 6.831 30.246 ( 2.412 6.964 3.202) 8.035 30.639 ( 1.334 9.644 -9.988) 13.948 31.491 ( 2.174 -7.906 13.033) 15.398 31.985 ( -5.473 -7.142 -10.595) 13.900 ======================= Grid point 417 (134/180) ======================= q-point: ( 0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.075 ( 10.781 9.429 21.372) 25.727 4.335 ( 11.561 9.991 19.071) 24.437 4.568 ( -5.844 3.859 5.377) 8.829 4.917 ( -3.256 9.574 1.178) 10.181 4.997 ( -1.791 6.285 1.944) 6.818 5.348 ( -3.389 11.518 -3.162) 12.416 5.662 ( 12.168 7.971 -21.171) 25.687 5.987 ( -0.081 3.899 -0.619) 3.949 6.218 ( 1.420 -2.262 -16.360) 16.576 6.410 ( -2.323 -5.145 -15.320) 16.327 7.177 ( 14.811 -6.434 8.103) 18.067 7.437 ( 3.926 -3.691 -3.723) 6.550 10.297 ( 11.618 -4.519 -2.230) 12.664 10.429 ( 5.572 -4.971 -8.723) 11.483 10.804 ( 0.255 4.735 -3.737) 6.037 10.907 ( -5.726 3.148 -10.027) 11.969 11.483 ( 2.511 -6.451 2.953) 7.526 11.579 ( 6.792 -10.452 -1.057) 12.510 11.906 ( -9.099 -4.372 0.710) 10.120 11.997 ( -6.506 -7.994 -0.971) 10.353 12.582 ( -3.693 -8.161 8.583) 12.406 12.765 ( -9.128 -7.311 -1.226) 11.759 13.199 ( 1.646 -3.335 6.694) 7.658 13.490 ( 0.599 -7.182 -1.666) 7.397 13.807 ( 4.216 1.138 4.550) 6.306 13.936 ( 0.171 -0.597 1.124) 1.284 14.065 ( -1.524 -0.299 0.059) 1.554 14.383 ( 1.215 -1.932 -0.918) 2.460 14.430 ( -1.640 2.088 -0.515) 2.705 14.627 ( 0.133 10.546 -2.076) 10.749 15.079 ( -1.103 6.400 0.880) 6.554 15.157 ( -2.858 8.733 -3.335) 9.776 16.085 ( 0.021 -8.529 9.287) 12.609 16.370 ( 2.137 -2.607 -5.667) 6.594 17.502 ( -0.612 1.973 7.979) 8.242 17.620 ( -2.194 4.863 2.059) 5.719 18.033 ( -3.756 -5.114 8.110) 10.297 18.238 ( -0.025 -0.838 1.431) 1.659 18.521 ( 0.202 3.425 2.663) 4.343 18.735 ( 0.655 4.882 -4.913) 6.957 27.369 ( 0.953 1.721 1.684) 2.589 27.413 ( 0.129 1.786 -0.122) 1.795 29.972 ( 0.906 4.301 5.976) 7.418 30.059 ( -2.042 6.059 5.858) 8.672 30.319 ( 4.561 8.772 1.240) 9.964 30.602 ( -4.265 11.767 -7.328) 14.503 31.578 ( 5.804 -10.865 6.200) 13.791 31.865 ( -6.074 -9.121 -6.872) 12.935 ======================= Grid point 418 (135/180) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.264 ( 0.000 7.942 20.020) 21.538 4.333 ( -0.000 3.317 10.884) 11.378 4.633 ( -0.000 5.264 10.901) 12.106 4.790 ( 0.000 12.913 9.980) 16.320 5.002 ( -0.000 7.011 3.860) 8.003 5.285 ( 0.000 15.938 -4.732) 16.626 5.894 ( 0.000 3.168 -21.847) 22.075 5.901 ( -0.000 6.629 -12.142) 13.834 6.244 ( 0.000 -6.801 -8.267) 10.704 6.363 ( -0.000 -5.752 -19.758) 20.578 7.404 ( -0.000 -3.203 4.247) 5.320 7.428 ( 0.000 -4.470 3.311) 5.562 10.447 ( 0.000 -4.955 -6.647) 8.291 10.464 ( -0.000 -2.108 -7.687) 7.971 10.784 ( 0.000 3.182 -4.444) 5.466 10.916 ( -0.000 5.484 -8.531) 10.141 11.518 ( -0.000 -8.596 1.861) 8.795 11.563 ( 0.000 -1.390 -0.188) 1.403 11.822 ( 0.000 -4.016 5.754) 7.017 11.968 ( 0.000 -4.623 1.084) 4.748 12.548 ( -0.000 -14.222 4.870) 15.033 12.630 ( 0.000 -12.859 -0.662) 12.876 13.219 ( 0.000 -5.551 5.446) 7.776 13.486 ( 0.000 -8.190 0.219) 8.193 13.869 ( -0.000 1.800 5.931) 6.198 13.914 ( 0.000 -1.853 0.343) 1.885 14.061 ( 0.000 -1.373 -3.002) 3.301 14.356 ( 0.000 -4.622 -7.558) 8.860 14.480 ( -0.000 9.776 5.795) 11.364 14.606 ( 0.000 14.745 0.314) 14.749 15.080 ( -0.000 4.432 0.137) 4.434 15.115 ( 0.000 8.437 -3.580) 9.165 16.087 ( 0.000 -10.512 9.470) 14.149 16.394 ( 0.000 -3.098 -6.767) 7.443 17.495 ( 0.000 -0.230 7.652) 7.656 17.595 ( 0.000 5.629 2.337) 6.095 17.991 ( 0.000 -5.203 9.533) 10.860 18.237 ( 0.000 -0.043 1.603) 1.603 18.525 ( 0.000 3.524 1.976) 4.040 18.743 ( 0.000 4.889 -5.233) 7.161 27.380 ( 0.000 1.680 1.429) 2.206 27.414 ( 0.000 2.025 0.125) 2.029 29.992 ( -0.000 5.713 6.703) 8.807 30.026 ( 0.000 5.430 6.620) 8.562 30.394 ( 0.000 9.954 -1.005) 10.004 30.526 ( -0.000 11.823 -5.055) 12.858 31.680 ( 0.000 -11.678 0.649) 11.696 31.764 ( -0.000 -9.762 -2.850) 10.169 ======================= Grid point 423 (136/180) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.821 ( 0.000 13.488 25.365) 28.728 4.123 ( 0.000 11.487 26.901) 29.251 4.706 ( 0.000 12.741 -14.544) 19.336 4.829 ( 0.000 -4.793 12.753) 13.624 5.212 ( 0.000 4.580 -13.220) 13.991 5.379 ( 0.000 7.329 -19.199) 20.550 5.481 ( 0.000 0.259 -0.683) 0.730 5.800 ( 0.000 -8.833 -9.998) 13.340 6.330 ( 0.000 -11.282 1.248) 11.351 6.339 ( 0.000 28.824 19.852) 34.999 6.885 ( 0.000 18.957 -3.729) 19.321 6.913 ( 0.000 -13.334 -19.779) 23.854 9.888 ( 0.000 -5.739 2.095) 6.110 10.157 ( 0.000 -4.666 -10.211) 11.226 10.255 ( 0.000 -10.558 4.464) 11.463 10.569 ( 0.000 -13.382 -9.078) 16.170 11.451 ( 0.000 -12.300 -9.620) 15.615 11.616 ( 0.000 -12.851 -17.462) 21.681 11.969 ( 0.000 0.829 1.803) 1.984 12.079 ( 0.000 -1.581 -3.237) 3.603 12.801 ( 0.000 -0.524 17.855) 17.863 13.159 ( 0.000 -6.804 1.808) 7.040 13.344 ( 0.000 10.255 2.644) 10.590 13.416 ( 0.000 -8.139 -0.282) 8.144 13.445 ( 0.000 9.752 -1.393) 9.851 13.608 ( 0.000 -0.598 -9.026) 9.046 14.130 ( 0.000 2.363 15.429) 15.609 14.376 ( 0.000 0.564 3.767) 3.809 14.579 ( 0.000 -5.877 2.357) 6.332 14.780 ( 0.000 -7.988 -7.277) 10.806 15.069 ( 0.000 -1.552 4.688) 4.938 15.362 ( 0.000 0.747 -8.217) 8.251 16.130 ( 0.000 5.272 9.117) 10.532 16.368 ( 0.000 1.286 -0.465) 1.367 17.705 ( 0.000 11.987 7.504) 14.142 17.987 ( 0.000 10.096 -4.014) 10.864 18.037 ( 0.000 2.280 8.462) 8.764 18.334 ( 0.000 0.523 -5.388) 5.413 18.509 ( 0.000 -2.643 9.370) 9.736 18.732 ( 0.000 -2.665 -1.781) 3.205 27.350 ( 0.000 1.203 2.292) 2.588 27.421 ( 0.000 0.971 -0.864) 1.300 29.947 ( 0.000 1.421 7.434) 7.568 30.272 ( 0.000 -1.233 -7.810) 7.906 30.277 ( 0.000 6.008 9.649) 11.367 30.587 ( 0.000 5.196 -2.703) 5.857 31.472 ( 0.000 -0.111 14.393) 14.393 32.034 ( 0.000 -4.078 -13.634) 14.231 ======================= Grid point 424 (137/180) ======================= q-point: ( 0.12 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( 8.922 14.083 24.539) 29.666 4.157 ( 3.582 9.667 26.220) 28.173 4.745 ( 2.423 6.706 -5.084) 8.758 4.897 ( 5.578 1.994 4.849) 7.655 5.250 ( 4.471 5.973 -12.488) 14.547 5.298 ( -4.094 4.483 -11.939) 13.394 5.557 ( 4.181 4.690 -7.210) 9.563 5.881 ( 7.250 -6.534 -5.588) 11.247 6.327 ( -0.008 8.134 -2.254) 8.440 6.401 ( 4.968 4.919 10.335) 12.478 6.738 ( -7.168 5.712 -3.898) 9.960 7.049 ( 6.994 -2.517 -13.262) 15.203 9.883 ( 1.122 -5.209 0.725) 5.378 10.130 ( -0.601 -4.060 -10.423) 11.202 10.403 ( 12.322 -10.073 5.275) 16.767 10.710 ( 11.586 -12.878 -7.812) 19.003 11.350 ( -8.146 -7.515 -8.543) 13.994 11.523 ( -6.968 -8.215 -16.174) 19.433 11.960 ( -2.365 -5.177 1.307) 5.840 12.076 ( -1.823 -7.952 -3.939) 9.059 12.794 ( -0.983 1.514 16.955) 17.051 13.130 ( -2.680 0.029 1.682) 3.164 13.274 ( -5.227 5.743 1.438) 7.897 13.354 ( -1.171 0.433 -2.417) 2.721 13.571 ( 7.266 0.200 1.467) 7.415 13.713 ( 7.831 -0.282 -5.864) 9.788 14.148 ( 1.494 2.069 14.513) 14.736 14.369 ( -2.359 -1.355 3.610) 4.520 14.533 ( -2.127 -3.251 0.710) 3.950 14.681 ( -7.470 -7.278 -6.781) 12.440 15.109 ( 2.766 -1.834 3.311) 4.688 15.355 ( -0.803 0.853 -7.152) 7.247 16.131 ( -0.626 3.984 8.399) 9.317 16.342 ( -1.824 2.205 -0.432) 2.895 17.687 ( -1.834 10.515 7.664) 13.141 17.883 ( -5.636 6.992 2.099) 9.223 18.103 ( 1.493 2.004 2.679) 3.664 18.272 ( -4.505 -0.572 -2.645) 5.255 18.534 ( 1.787 -0.634 7.214) 7.459 18.746 ( 1.366 -0.767 -2.547) 2.990 27.358 ( 0.737 1.317 2.213) 2.679 27.425 ( 0.394 1.102 -0.768) 1.399 29.972 ( 2.148 1.823 7.281) 7.807 30.226 ( -1.745 3.035 1.853) 3.961 30.320 ( 2.169 4.928 3.046) 6.185 30.666 ( 6.692 4.107 -5.929) 9.839 31.430 ( -3.820 -1.381 14.406) 14.968 31.981 ( -4.948 -4.819 -13.229) 14.924 ======================= Grid point 425 (138/180) ======================= q-point: ( 0.25 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.119 ( 8.710 13.860 20.765) 26.441 4.283 ( 8.697 7.079 25.399) 27.765 4.749 ( -2.642 4.646 0.676) 5.387 5.014 ( 5.683 5.035 5.064) 9.127 5.193 ( -4.284 4.238 0.709) 6.068 5.459 ( 10.919 11.143 -18.973) 24.563 5.636 ( 5.296 6.762 -8.520) 12.098 6.043 ( 6.361 -1.897 0.927) 6.702 6.305 ( -2.602 10.525 -15.459) 18.882 6.435 ( -3.669 -0.819 -9.338) 10.067 6.741 ( 10.344 -1.091 10.136) 14.523 7.189 ( 6.524 -6.665 -9.366) 13.218 9.973 ( 7.612 -5.746 -0.430) 9.547 10.181 ( 5.636 -4.652 -9.818) 12.239 10.679 ( 12.458 -5.605 3.319) 14.058 10.941 ( 6.490 -8.790 -7.574) 13.295 11.226 ( 0.677 -3.903 -4.976) 6.360 11.405 ( -2.943 -3.143 -12.337) 13.066 11.855 ( -6.800 -11.750 0.135) 13.577 11.963 ( -8.826 -13.638 -3.951) 16.718 12.736 ( -5.498 4.885 14.153) 15.950 13.018 ( -9.263 7.620 -1.071) 12.042 13.191 ( -2.288 2.089 5.136) 5.998 13.359 ( 0.719 -3.175 -0.719) 3.333 13.710 ( 5.698 -0.460 3.542) 6.725 13.850 ( 4.368 -2.981 -1.239) 5.432 14.140 ( -4.582 -1.987 5.066) 7.114 14.290 ( -1.285 -2.854 3.419) 4.636 14.479 ( -3.584 -2.773 -2.423) 5.139 14.652 ( 6.453 2.227 -3.240) 7.556 15.151 ( 0.927 -1.337 2.743) 3.189 15.324 ( -2.257 1.547 -5.171) 5.851 16.075 ( -4.639 1.499 8.756) 10.021 16.324 ( 0.065 1.748 -3.252) 3.693 17.624 ( -4.183 5.691 8.858) 11.329 17.793 ( -3.139 7.269 1.949) 8.154 18.043 ( -6.096 -4.166 4.736) 8.772 18.222 ( -0.386 0.370 -2.243) 2.306 18.571 ( 1.777 2.642 5.832) 6.645 18.781 ( 1.753 1.634 -3.532) 4.268 27.379 ( 1.241 1.569 1.977) 2.813 27.435 ( 0.582 1.373 -0.485) 1.568 30.018 ( 2.181 3.201 7.677) 8.599 30.209 ( -0.320 5.952 6.053) 8.495 30.380 ( 4.067 6.682 2.661) 8.262 30.808 ( 5.667 6.583 -10.670) 13.758 31.342 ( -3.536 -6.503 13.890) 15.740 31.846 ( -7.783 -6.961 -11.879) 15.816 ======================= Grid point 426 (139/180) ======================= q-point: ( 0.38 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.280 ( 7.363 9.858 15.235) 19.583 4.468 ( 6.158 6.083 19.989) 21.783 4.679 ( -1.323 6.986 6.810) 9.845 5.049 ( -4.619 5.350 12.943) 14.747 5.166 ( 3.093 9.105 6.473) 11.591 5.565 ( 0.881 9.070 -8.526) 12.479 5.838 ( 10.941 9.694 -16.519) 22.058 6.070 ( -2.159 4.511 3.773) 6.265 6.256 ( -1.726 6.305 -23.227) 24.129 6.357 ( -3.167 0.430 -22.632) 22.856 7.033 ( 14.986 -8.181 8.480) 19.063 7.298 ( 3.141 -10.553 -3.088) 11.436 10.171 ( 10.406 -8.187 -1.013) 13.280 10.318 ( 5.887 -6.295 -8.437) 12.061 10.842 ( 2.961 -0.014 -5.541) 6.283 10.919 ( -3.067 -1.699 -10.332) 10.911 11.375 ( 1.914 -4.754 1.481) 5.334 11.441 ( 7.856 -5.234 -1.217) 9.518 11.775 ( -5.384 -9.975 -2.048) 11.519 11.802 ( 4.998 -8.493 -3.705) 10.528 12.550 ( -11.978 4.103 9.563) 15.867 12.749 ( -16.266 5.190 -1.842) 17.173 13.162 ( -0.717 -0.353 7.650) 7.691 13.354 ( -1.188 -6.049 3.751) 7.216 13.797 ( 2.963 -2.568 3.020) 4.949 13.879 ( -1.021 -5.324 1.881) 5.738 14.047 ( -2.173 -1.867 -2.727) 3.955 14.265 ( -1.784 -7.610 -6.484) 10.156 14.539 ( 8.181 6.695 7.820) 13.149 14.807 ( 5.929 7.714 -1.858) 9.905 15.136 ( -1.876 -0.226 3.498) 3.975 15.269 ( -2.832 2.314 -4.653) 5.918 15.981 ( -3.552 -1.378 8.894) 9.676 16.326 ( -0.145 -1.949 -8.238) 8.466 17.538 ( -3.545 1.737 10.099) 10.843 17.736 ( -2.613 5.491 0.829) 6.137 17.937 ( -3.252 -3.346 8.284) 9.508 18.224 ( 0.245 -0.428 -3.119) 3.158 18.601 ( 1.032 4.549 5.269) 7.037 18.810 ( 0.928 2.541 -3.824) 4.684 27.404 ( 1.056 1.823 1.640) 2.670 27.446 ( 0.366 1.561 -0.089) 1.606 30.067 ( 2.692 5.370 9.146) 10.942 30.189 ( -1.913 7.327 9.561) 12.197 30.492 ( 6.576 8.701 0.463) 10.916 30.836 ( -3.287 11.942 -8.720) 15.148 31.343 ( 4.007 -13.209 6.698) 15.343 31.678 ( -8.141 -9.821 -9.038) 15.634 ======================= Grid point 427 (140/180) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.408 ( 0.000 4.548 7.576) 8.836 4.447 ( -0.000 9.061 15.071) 17.586 4.739 ( -0.000 7.496 16.155) 17.809 4.954 ( 0.000 5.684 15.910) 16.895 5.212 ( -0.000 12.146 9.654) 15.516 5.561 ( 0.000 9.930 -1.768) 10.086 5.954 ( 0.000 3.629 -9.303) 9.986 6.068 ( 0.000 9.600 -8.840) 13.050 6.219 ( -0.000 5.159 -23.358) 23.921 6.319 ( -0.000 2.279 -29.547) 29.635 7.265 ( -0.000 -11.450 3.911) 12.099 7.274 ( 0.000 -11.262 3.437) 11.775 10.310 ( -0.000 -8.495 -3.321) 9.121 10.375 ( 0.000 -7.221 -6.175) 9.501 10.819 ( 0.000 1.108 -7.854) 7.931 10.932 ( -0.000 -2.559 -11.275) 11.562 11.359 ( -0.000 -9.103 1.270) 9.191 11.471 ( 0.000 -9.962 -2.074) 10.176 11.823 ( 0.000 4.442 5.016) 6.700 11.946 ( 0.000 2.035 -0.551) 2.108 12.384 ( 0.000 -1.006 3.725) 3.858 12.485 ( 0.000 -1.941 -2.100) 2.859 13.157 ( 0.000 -1.306 8.028) 8.134 13.335 ( -0.000 -6.931 6.083) 9.222 13.843 ( -0.000 -4.214 2.199) 4.753 13.847 ( 0.000 -5.226 0.594) 5.260 14.034 ( 0.000 -1.315 -3.185) 3.446 14.245 ( 0.000 -6.565 -7.075) 9.652 14.678 ( -0.000 9.830 7.744) 12.513 14.831 ( 0.000 8.374 4.192) 9.365 15.128 ( -0.000 0.958 2.000) 2.218 15.225 ( 0.000 2.220 -6.076) 6.468 15.945 ( -0.000 -2.903 8.256) 8.752 16.322 ( 0.000 -4.338 -10.727) 11.571 17.499 ( 0.000 0.569 10.511) 10.527 17.704 ( 0.000 3.376 1.312) 3.622 17.908 ( 0.000 -1.299 9.057) 9.150 18.227 ( 0.000 -0.638 -3.496) 3.553 18.612 ( 0.000 5.014 5.102) 7.154 18.819 ( 0.000 2.707 -3.818) 4.680 27.416 ( 0.000 1.955 1.436) 2.426 27.449 ( 0.000 1.591 0.142) 1.598 30.119 ( -0.000 7.212 9.979) 12.312 30.144 ( 0.000 6.775 10.648) 12.621 30.597 ( 0.000 10.419 -0.953) 10.463 30.757 ( -0.000 11.618 -5.026) 12.659 31.434 ( 0.000 -13.429 -1.084) 13.472 31.553 ( -0.000 -11.700 -5.282) 12.837 ======================= Grid point 432 (141/180) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.059 ( 0.000 10.321 23.820) 25.960 4.258 ( 0.000 3.541 26.224) 26.462 4.747 ( 0.000 -2.973 20.793) 21.005 4.935 ( 0.000 9.988 -12.989) 16.385 5.300 ( 0.000 4.948 -11.352) 12.384 5.441 ( 0.000 -3.470 -0.531) 3.510 5.467 ( 0.000 1.062 -22.158) 22.184 5.650 ( 0.000 -6.741 -9.694) 11.808 6.166 ( 0.000 -5.150 0.469) 5.172 6.679 ( 0.000 -10.040 -17.501) 20.176 6.867 ( 0.000 23.663 13.611) 27.299 7.167 ( 0.000 8.750 0.736) 8.781 9.850 ( 0.000 1.087 1.289) 1.686 10.119 ( 0.000 -3.931 0.833) 4.018 10.143 ( 0.000 2.611 -11.567) 11.858 10.356 ( 0.000 -8.377 -8.466) 11.910 11.206 ( 0.000 -11.836 -9.861) 15.406 11.373 ( 0.000 -11.180 -17.057) 20.395 11.984 ( 0.000 0.743 0.983) 1.232 12.052 ( 0.000 -1.210 -2.164) 2.479 12.815 ( 0.000 1.824 18.898) 18.985 13.022 ( 0.000 -6.672 5.980) 8.960 13.246 ( 0.000 -8.087 -1.050) 8.155 13.483 ( 0.000 4.515 1.798) 4.859 13.553 ( 0.000 2.285 -1.296) 2.627 13.638 ( 0.000 2.235 -12.323) 12.524 14.226 ( 0.000 6.558 13.659) 15.151 14.379 ( 0.000 -0.606 5.818) 5.850 14.479 ( 0.000 -3.992 -1.359) 4.217 14.626 ( 0.000 -6.744 -8.480) 10.835 15.037 ( 0.000 -1.502 6.101) 6.283 15.372 ( 0.000 0.315 -8.328) 8.334 16.196 ( 0.000 1.626 10.172) 10.301 16.397 ( 0.000 1.706 2.001) 2.630 17.941 ( 0.000 11.609 6.792) 13.450 18.074 ( 0.000 1.398 7.459) 7.589 18.181 ( 0.000 8.305 -1.197) 8.391 18.342 ( 0.000 0.282 -5.048) 5.055 18.443 ( 0.000 -3.244 8.957) 9.527 18.660 ( 0.000 -4.778 -3.679) 6.031 27.369 ( 0.000 0.690 2.171) 2.278 27.438 ( 0.000 0.717 -0.937) 1.180 29.971 ( 0.000 1.004 6.443) 6.521 30.251 ( 0.000 -0.889 -6.665) 6.724 30.372 ( 0.000 3.633 10.622) 11.226 30.649 ( 0.000 1.536 0.449) 1.600 31.487 ( 0.000 1.251 11.809) 11.875 31.970 ( 0.000 -2.397 -13.978) 14.182 ======================= Grid point 433 (142/180) ======================= q-point: ( 0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.175 ( 9.679 10.870 22.822) 27.068 4.265 ( 1.657 2.614 25.345) 25.534 4.778 ( 3.345 -0.271 18.833) 19.130 5.035 ( 5.200 8.822 -7.713) 12.820 5.314 ( -4.186 -0.096 -4.211) 5.939 5.355 ( 6.852 2.842 -17.038) 18.582 5.613 ( 8.857 -0.983 -11.497) 14.546 5.773 ( 9.250 -2.391 -10.623) 14.288 6.184 ( 2.040 -6.932 -1.670) 7.416 6.617 ( -4.865 -4.876 -12.016) 13.850 6.868 ( -1.033 17.629 9.810) 20.201 7.143 ( -1.691 6.231 -2.283) 6.848 9.833 ( -0.212 -0.564 0.613) 0.859 10.080 ( -0.682 -1.263 -9.400) 9.508 10.317 ( 14.004 0.667 -0.651) 14.035 10.511 ( 12.786 -7.521 -7.194) 16.487 11.173 ( -2.689 -9.572 -9.467) 13.728 11.341 ( -2.410 -9.372 -16.404) 19.045 11.892 ( -8.512 -1.962 0.641) 8.759 11.954 ( -8.683 -4.538 -2.112) 10.022 12.831 ( 0.775 2.100 18.880) 19.012 13.072 ( 3.951 -3.753 5.254) 7.570 13.284 ( 2.897 -3.203 -1.187) 4.479 13.442 ( -4.027 7.040 -2.073) 8.371 13.578 ( 3.901 -0.158 0.274) 3.914 13.701 ( 4.045 -1.326 -6.695) 7.934 14.195 ( -5.601 1.004 10.035) 11.536 14.361 ( 0.085 2.153 2.796) 3.530 14.479 ( -2.949 -3.126 -0.631) 4.344 14.554 ( -1.340 -4.882 -3.780) 6.318 15.063 ( 1.972 -2.258 4.177) 5.141 15.358 ( -1.313 -0.202 -7.623) 7.738 16.182 ( -1.743 1.340 9.863) 10.105 16.395 ( -0.336 2.696 1.110) 2.934 17.878 ( -6.539 7.951 6.872) 12.378 18.009 ( -3.627 5.866 4.249) 8.101 18.126 ( -6.806 0.408 2.001) 7.106 18.274 ( -2.752 -0.223 -0.288) 2.776 18.533 ( 5.536 1.622 4.064) 7.057 18.706 ( 3.656 -3.536 -3.396) 6.116 27.379 ( 0.898 0.756 2.124) 2.427 27.444 ( 0.553 0.778 -0.826) 1.262 30.002 ( 2.781 1.157 7.246) 7.847 30.269 ( 1.772 1.583 -0.895) 2.539 30.407 ( 3.203 3.693 6.150) 7.856 30.699 ( 4.812 -0.216 -0.976) 4.915 31.432 ( -5.181 1.109 11.354) 12.530 31.905 ( -6.136 -2.871 -13.902) 15.465 ======================= Grid point 434 (143/180) ======================= q-point: ( 0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.292 ( 3.654 3.020 20.383) 20.927 4.436 ( 11.555 9.605 23.502) 27.895 4.837 ( 0.189 4.311 11.047) 11.860 5.105 ( 4.262 4.083 3.653) 6.941 5.232 ( -1.576 0.183 2.154) 2.675 5.638 ( 12.542 7.366 -22.144) 26.494 5.783 ( 8.906 6.808 -10.109) 15.095 5.970 ( 9.471 -2.730 -4.337) 10.769 6.258 ( 4.574 -9.186 -10.440) 14.639 6.514 ( -4.665 1.863 -7.439) 8.976 6.831 ( -0.762 7.327 6.135) 9.587 7.116 ( -1.114 0.090 -6.521) 6.616 9.875 ( 4.668 -4.039 0.644) 6.206 10.116 ( 3.887 -1.889 -10.162) 11.043 10.642 ( 15.124 1.277 -1.077) 15.216 10.795 ( 11.428 -5.460 -7.067) 14.504 11.151 ( 3.704 -4.164 -5.986) 8.179 11.322 ( 1.817 -5.463 -12.970) 14.190 11.673 ( -10.906 -6.070 -0.278) 12.485 11.737 ( -11.358 -8.899 -2.726) 14.684 12.818 ( -2.744 3.088 16.729) 17.231 13.119 ( -1.594 1.575 3.056) 3.790 13.289 ( -4.205 7.941 0.293) 8.991 13.366 ( -2.882 4.739 -0.667) 5.587 13.671 ( 3.534 -3.816 2.256) 5.669 13.747 ( -0.153 -7.656 -0.516) 7.675 14.041 ( -5.751 -5.825 2.070) 8.443 14.241 ( -8.813 -3.038 -4.003) 10.145 14.497 ( 5.767 4.454 4.945) 8.806 14.679 ( 10.778 -0.106 -0.452) 10.788 15.099 ( 1.129 -2.921 2.778) 4.186 15.321 ( -2.207 -0.950 -5.725) 6.209 16.113 ( -4.817 1.795 8.753) 10.151 16.372 ( -2.283 2.564 -2.194) 4.075 17.712 ( -8.250 3.453 7.784) 11.856 17.902 ( -8.730 0.411 0.020) 8.740 18.002 ( -2.190 3.106 6.931) 7.905 18.233 ( -1.555 -0.108 -0.488) 1.633 18.633 ( 3.921 3.941 3.197) 6.413 18.780 ( 3.082 -1.837 -2.823) 4.566 27.404 ( 1.490 0.937 1.926) 2.609 27.458 ( 0.717 0.869 -0.489) 1.229 30.074 ( 4.098 2.376 9.467) 10.586 30.312 ( 1.818 4.216 8.544) 9.699 30.500 ( 5.924 6.030 0.100) 8.454 30.837 ( 8.299 -3.558 -5.015) 10.329 31.287 ( -8.518 0.673 10.238) 13.336 31.733 ( -10.192 -4.480 -13.606) 17.581 ======================= Grid point 435 (144/180) ======================= q-point: ( 0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.388 ( 5.599 2.292 16.303) 17.389 4.601 ( 1.566 5.706 17.124) 18.118 4.829 ( 3.165 8.347 10.221) 13.571 5.116 ( -3.366 1.507 10.423) 11.056 5.332 ( 8.492 8.081 11.629) 16.512 5.708 ( -1.514 6.817 -9.757) 11.999 5.983 ( 5.180 4.756 -11.547) 13.520 6.124 ( 4.470 1.382 -15.163) 15.869 6.363 ( 5.978 0.242 -12.385) 13.755 6.445 ( -1.297 8.563 -10.295) 13.453 6.890 ( 5.731 -7.115 1.322) 9.231 7.084 ( -2.242 -8.572 -5.604) 10.484 10.022 ( 8.981 -6.274 0.398) 10.963 10.208 ( 3.749 -4.587 -8.275) 10.178 10.833 ( 3.232 -0.537 -8.339) 8.959 10.869 ( -1.038 -2.788 -11.498) 11.877 11.290 ( -6.350 -3.917 -0.201) 7.463 11.336 ( 0.398 -5.398 -1.771) 5.695 11.616 ( 9.388 -4.816 -0.417) 10.560 11.696 ( 16.322 -3.377 -4.553) 17.278 12.670 ( -12.409 6.464 10.302) 17.375 12.908 ( -18.736 9.218 -3.098) 21.110 13.192 ( -3.512 3.695 7.420) 9.003 13.280 ( -4.218 -1.286 6.570) 7.913 13.703 ( 0.826 -6.796 1.085) 6.932 13.730 ( -0.649 -9.758 0.377) 9.787 14.009 ( 0.915 -1.606 -1.548) 2.411 14.137 ( -1.655 -4.788 -4.487) 6.767 14.660 ( 9.868 5.432 8.344) 14.018 14.914 ( 9.277 3.256 -0.629) 9.852 15.096 ( -1.026 -2.828 3.768) 4.821 15.268 ( -3.007 -1.226 -3.920) 5.091 16.013 ( -3.772 3.216 5.060) 7.083 16.294 ( -4.844 -1.364 -7.022) 8.639 17.572 ( -4.956 1.971 9.187) 10.623 17.732 ( -6.341 -4.311 3.168) 8.296 17.989 ( 0.136 6.925 5.245) 8.688 18.210 ( -0.627 -1.520 -1.904) 2.516 18.691 ( 1.769 4.734 3.414) 6.099 18.825 ( 1.361 -0.972 -2.302) 2.845 27.435 ( 1.334 1.213 1.529) 2.364 27.469 ( 0.318 0.825 0.023) 0.885 30.166 ( 4.768 4.534 12.145) 13.813 30.321 ( -1.256 5.658 13.429) 14.627 30.647 ( 8.066 7.910 -0.805) 11.326 31.013 ( 6.307 1.085 -12.699) 14.220 31.111 ( -6.036 -5.723 10.930) 13.735 31.509 ( -11.051 -7.353 -12.483) 18.222 ======================= Grid point 436 (145/180) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.492 ( -0.000 3.752 10.385) 11.042 4.545 ( 0.000 1.625 15.406) 15.492 4.933 ( 0.000 10.104 14.175) 17.408 5.038 ( -0.000 2.793 14.451) 14.719 5.441 ( -0.000 12.406 12.440) 17.568 5.675 ( 0.000 3.957 -2.581) 4.725 6.011 ( 0.000 2.082 -6.491) 6.817 6.164 ( 0.000 -0.017 -24.535) 24.535 6.403 ( -0.000 11.208 -17.741) 20.985 6.481 ( 0.000 11.865 -11.368) 16.432 6.990 ( -0.000 -15.455 -1.173) 15.500 7.031 ( -0.000 -12.781 -2.087) 12.950 10.169 ( -0.000 -5.245 -2.177) 5.679 10.222 ( 0.000 -7.444 -3.833) 8.373 10.830 ( -0.000 -0.147 -11.238) 11.239 10.870 ( 0.000 -3.307 -12.643) 13.068 11.202 ( -0.000 -5.694 -0.912) 5.767 11.262 ( 0.000 -9.259 -2.434) 9.574 11.911 ( 0.000 3.040 3.587) 4.702 11.958 ( -0.000 -0.827 1.771) 1.954 12.497 ( -0.000 9.422 0.309) 9.427 12.541 ( 0.000 6.092 -1.846) 6.365 13.160 ( 0.000 1.398 9.005) 9.113 13.235 ( -0.000 -3.395 9.257) 9.859 13.718 ( -0.000 -7.505 0.330) 7.512 13.723 ( 0.000 -7.406 -0.457) 7.420 14.023 ( 0.000 0.387 -1.669) 1.713 14.127 ( 0.000 -5.260 -4.470) 6.903 14.835 ( -0.000 6.396 7.895) 10.161 14.928 ( 0.000 2.045 7.756) 8.021 15.138 ( -0.000 0.524 1.559) 1.645 15.210 ( 0.000 -2.656 -4.876) 5.553 15.980 ( -0.000 5.374 1.766) 5.657 16.226 ( 0.000 -5.685 -9.655) 11.205 17.520 ( -0.000 1.787 9.856) 10.017 17.665 ( 0.000 -4.997 4.467) 6.702 17.992 ( 0.000 7.576 4.782) 8.959 18.204 ( 0.000 -2.229 -2.557) 3.392 18.708 ( 0.000 4.934 3.583) 6.097 18.838 ( 0.000 -0.742 -2.072) 2.201 27.451 ( 0.000 1.521 1.193) 1.933 27.471 ( -0.000 0.602 0.399) 0.723 30.253 ( -0.000 6.254 13.463) 14.844 30.270 ( 0.000 5.706 14.447) 15.533 30.775 ( 0.000 8.084 0.565) 8.104 30.946 ( -0.000 7.063 0.811) 7.109 31.193 ( 0.000 -10.301 -9.032) 13.700 31.337 ( -0.000 -10.329 -9.399) 13.966 ======================= Grid point 441 (146/180) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( 0.000 0.000 23.634) 23.634 4.287 ( 0.000 0.000 25.293) 25.293 4.720 ( 0.000 0.000 24.139) 24.139 5.034 ( 0.000 0.000 -7.831) 7.831 5.371 ( 0.000 -0.000 -10.304) 10.304 5.424 ( 0.000 0.000 -6.243) 6.243 5.453 ( 0.000 0.000 -22.785) 22.785 5.552 ( 0.000 -0.000 -10.293) 10.293 6.126 ( 0.000 0.000 0.703) 0.703 6.573 ( 0.000 0.000 -15.440) 15.440 7.174 ( 0.000 -0.000 8.647) 8.647 7.183 ( 0.000 0.000 4.214) 4.214 9.875 ( 0.000 0.000 1.539) 1.539 10.086 ( 0.000 0.000 -1.327) 1.327 10.189 ( 0.000 0.000 -11.496) 11.496 10.270 ( 0.000 0.000 -7.625) 7.625 11.073 ( 0.000 0.000 -10.358) 10.358 11.251 ( 0.000 0.000 -17.172) 17.172 11.993 ( 0.000 0.000 0.601) 0.601 12.038 ( 0.000 -0.000 -1.657) 1.657 12.852 ( 0.000 -0.000 20.712) 20.712 12.937 ( 0.000 0.000 6.034) 6.034 13.160 ( 0.000 0.000 -1.366) 1.366 13.525 ( 0.000 0.000 1.376) 1.376 13.569 ( 0.000 0.000 -0.318) 0.318 13.662 ( 0.000 0.000 -13.457) 13.457 14.335 ( 0.000 -0.000 8.964) 8.964 14.336 ( 0.000 0.000 9.646) 9.646 14.439 ( 0.000 0.000 -2.947) 2.947 14.557 ( 0.000 0.000 -8.806) 8.806 15.021 ( 0.000 0.000 6.764) 6.764 15.375 ( 0.000 0.000 -8.372) 8.372 16.209 ( 0.000 0.000 10.867) 10.867 16.416 ( 0.000 0.000 2.258) 2.258 18.087 ( 0.000 0.000 5.820) 5.820 18.088 ( 0.000 0.000 7.077) 7.077 18.233 ( 0.000 0.000 5.617) 5.617 18.344 ( 0.000 0.000 -4.913) 4.913 18.438 ( 0.000 -0.000 6.607) 6.607 18.587 ( 0.000 0.000 -6.947) 6.947 27.376 ( 0.000 0.000 2.159) 2.159 27.445 ( 0.000 0.000 -0.994) 0.994 29.981 ( 0.000 0.000 6.018) 6.018 30.242 ( 0.000 0.000 -6.181) 6.181 30.408 ( 0.000 0.000 10.885) 10.885 30.660 ( 0.000 0.000 1.848) 1.848 31.502 ( 0.000 0.000 10.793) 10.793 31.947 ( 0.000 0.000 -14.186) 14.186 ======================= Grid point 443 (147/180) ======================= q-point: ( 0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( 0.085 0.000 24.213) 24.213 4.295 ( 11.079 -0.000 23.203) 25.712 4.776 ( 5.333 0.000 23.146) 23.752 5.131 ( 4.149 0.000 -2.004) 4.608 5.297 ( -7.668 -0.000 -11.536) 13.852 5.397 ( 10.221 0.000 -13.814) 17.184 5.576 ( 10.195 0.000 -8.062) 12.997 5.759 ( 12.669 -0.000 -20.799) 24.354 6.121 ( -0.318 -0.000 1.258) 1.297 6.539 ( -2.860 0.000 -12.109) 12.442 7.096 ( -7.085 -0.000 7.857) 10.579 7.176 ( -0.855 0.000 0.422) 0.953 9.833 ( -2.236 0.000 0.912) 2.415 10.073 ( 0.069 0.000 -8.772) 8.772 10.350 ( 13.733 -0.000 -3.715) 14.227 10.434 ( 13.879 0.000 -5.830) 15.054 11.062 ( -0.715 0.000 -10.048) 10.074 11.236 ( -1.082 0.000 -16.477) 16.512 11.877 ( -10.368 0.000 -0.033) 10.368 11.908 ( -11.077 0.000 -1.488) 11.177 12.857 ( 0.201 0.000 19.999) 20.000 13.029 ( 6.788 0.000 5.790) 8.922 13.246 ( 7.227 -0.000 -0.616) 7.253 13.537 ( -1.992 0.000 -2.976) 3.582 13.561 ( 2.997 -0.000 1.415) 3.314 13.677 ( 0.121 0.000 -7.973) 7.974 14.193 ( -11.083 0.000 4.670) 12.027 14.404 ( 1.192 -0.000 -3.015) 3.242 14.455 ( -3.516 -0.000 2.898) 4.556 14.490 ( 3.139 0.000 1.857) 3.648 15.039 ( 1.474 0.000 4.404) 4.644 15.355 ( -1.788 0.000 -7.831) 8.032 16.193 ( -1.710 0.000 10.674) 10.810 16.423 ( 0.238 0.000 1.200) 1.223 17.956 ( -9.811 0.000 5.918) 11.458 18.074 ( -1.561 -0.000 4.842) 5.088 18.142 ( -11.867 0.000 1.035) 11.912 18.250 ( -0.258 0.000 5.231) 5.238 18.592 ( 7.778 0.000 1.430) 7.908 18.632 ( 3.848 -0.000 -5.126) 6.410 27.386 ( 0.961 0.000 2.122) 2.329 27.451 ( 0.599 0.000 -0.873) 1.058 30.013 ( 3.025 0.000 7.244) 7.851 30.285 ( 3.566 0.000 -1.364) 3.818 30.446 ( 4.009 0.000 6.164) 7.353 30.689 ( 2.711 0.000 1.787) 3.247 31.447 ( -5.136 0.000 9.998) 11.240 31.877 ( -6.631 -0.000 -14.280) 15.744 ======================= Grid point 445 (148/180) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.312 ( 3.090 0.000 22.224) 22.438 4.541 ( 10.841 0.000 21.473) 24.055 4.890 ( 2.955 -0.000 14.872) 15.163 5.146 ( -0.663 0.000 2.543) 2.628 5.228 ( 3.671 -0.000 1.875) 4.122 5.714 ( 10.843 0.000 -18.364) 21.326 5.831 ( 17.773 0.000 -7.238) 19.190 5.998 ( 9.105 0.000 -24.798) 26.417 6.129 ( 2.292 -0.000 3.351) 4.060 6.490 ( -0.747 0.000 -7.207) 7.246 6.920 ( -8.869 -0.000 4.686) 10.031 7.136 ( -3.347 0.000 -6.055) 6.919 9.834 ( 2.974 0.000 1.156) 3.191 10.101 ( 2.564 0.000 -10.789) 11.090 10.675 ( 14.725 -0.000 -2.683) 14.967 10.740 ( 11.873 0.000 -6.573) 13.571 11.099 ( 7.501 -0.000 -6.364) 9.837 11.252 ( 4.374 0.000 -12.278) 13.034 11.621 ( -12.510 0.000 -1.471) 12.596 11.649 ( -12.783 0.000 -2.053) 12.947 12.847 ( -1.715 0.000 17.578) 17.662 13.125 ( 1.188 0.000 4.800) 4.945 13.387 ( 4.001 -0.000 0.689) 4.060 13.496 ( -4.549 0.000 -2.432) 5.158 13.588 ( -2.434 0.000 2.566) 3.537 13.621 ( -4.585 0.000 -2.410) 5.180 13.981 ( -5.568 0.000 1.478) 5.761 14.206 ( -9.340 -0.000 -5.085) 10.634 14.570 ( 5.225 -0.000 5.151) 7.337 14.657 ( 13.717 0.000 2.422) 13.929 15.068 ( 1.040 0.000 2.139) 2.378 15.309 ( -2.498 0.000 -6.070) 6.564 16.131 ( -4.201 0.000 8.895) 9.837 16.399 ( -3.218 0.000 -1.826) 3.700 17.751 ( -9.188 0.000 6.059) 11.006 17.876 ( -11.983 -0.000 3.038) 12.362 18.070 ( 0.050 0.000 3.631) 3.631 18.219 ( -2.233 0.000 3.047) 3.777 18.714 ( 3.594 0.000 -2.240) 4.235 18.719 ( 4.548 -0.000 0.680) 4.598 27.413 ( 1.606 0.000 1.925) 2.507 27.466 ( 0.732 0.000 -0.502) 0.887 30.099 ( 5.130 0.000 10.277) 11.486 30.354 ( 2.547 0.000 9.975) 10.295 30.585 ( 9.322 -0.000 -4.420) 10.317 30.764 ( 4.255 0.000 2.065) 4.730 31.307 ( -7.936 0.000 7.248) 10.748 31.687 ( -11.443 -0.000 -14.674) 18.608 ======================= Grid point 447 (149/180) ======================= q-point: ( 0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.406 ( 5.894 0.000 18.732) 19.638 4.653 ( -1.676 0.000 15.010) 15.104 4.927 ( 4.529 -0.000 11.836) 12.672 5.123 ( -1.963 -0.000 7.646) 7.894 5.431 ( 12.507 0.000 11.206) 16.793 5.779 ( -2.445 0.000 -8.120) 8.480 6.075 ( 3.090 -0.000 -10.045) 10.509 6.093 ( 0.815 0.000 -21.153) 21.169 6.352 ( 17.531 0.000 -0.081) 17.531 6.535 ( 4.035 0.000 -7.151) 8.210 6.782 ( -3.382 -0.000 -4.140) 5.345 7.028 ( -7.400 0.000 -10.487) 12.835 9.958 ( 8.593 -0.000 0.857) 8.636 10.161 ( 2.259 0.000 -8.287) 8.589 10.832 ( 0.059 -0.000 -11.614) 11.614 10.833 ( 1.437 0.000 -9.948) 10.051 11.249 ( -8.541 0.000 -0.903) 8.588 11.277 ( -3.898 0.000 -2.086) 4.421 11.576 ( 16.294 -0.000 0.379) 16.298 11.665 ( 19.942 0.000 -4.307) 20.402 12.739 ( -10.215 0.000 11.153) 15.124 13.009 ( -16.254 0.000 -2.950) 16.520 13.271 ( -9.332 -0.000 8.129) 12.376 13.282 ( -9.129 0.000 6.397) 11.147 13.588 ( 2.879 0.000 0.196) 2.885 13.613 ( 1.603 0.000 -1.527) 2.214 13.993 ( 3.403 0.000 -1.105) 3.577 14.092 ( -2.654 -0.000 -2.952) 3.969 14.721 ( 9.343 0.000 8.232) 12.452 14.937 ( 11.388 0.000 1.189) 11.450 15.066 ( -1.207 0.000 2.324) 2.619 15.253 ( -3.219 0.000 -3.460) 4.726 16.053 ( -1.934 0.000 2.742) 3.355 16.279 ( -8.255 -0.000 -5.411) 9.871 17.606 ( -4.497 0.000 7.000) 8.320 17.668 ( -7.628 -0.000 5.674) 9.507 18.088 ( 1.576 0.000 1.983) 2.533 18.172 ( -2.235 -0.000 1.442) 2.660 18.771 ( 1.907 0.000 -0.384) 1.945 18.782 ( 1.651 -0.000 0.592) 1.754 27.447 ( 1.536 0.000 1.463) 2.122 27.477 ( 0.195 0.000 0.090) 0.215 30.215 ( 5.952 0.000 13.732) 14.966 30.378 ( -0.480 0.000 15.271) 15.279 30.801 ( 10.767 -0.000 -5.867) 12.262 30.853 ( 4.189 0.000 3.529) 5.477 31.153 ( -5.930 0.000 0.347) 5.940 31.427 ( -13.368 -0.000 -15.587) 20.534 ======================= Grid point 449 (150/180) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.542 ( -6.394 -0.571 14.485) 15.844 4.542 ( 6.394 0.571 14.485) 15.844 5.049 ( -4.303 -1.258 12.446) 13.229 5.049 ( 4.303 1.258 12.446) 13.229 5.658 ( -4.362 -6.797 4.673) 9.331 5.658 ( 4.362 6.797 4.673) 9.331 6.093 ( -0.000 -6.399 -15.406) 16.682 6.093 ( 0.000 6.399 -15.406) 16.682 6.578 ( -0.379 -5.384 -1.695) 5.657 6.578 ( 0.379 5.384 -1.695) 5.657 6.841 ( -6.515 -3.209 -13.696) 15.502 6.841 ( 6.515 3.209 -13.696) 15.502 10.131 ( -5.480 -0.658 -2.431) 6.031 10.131 ( 5.480 0.658 -2.431) 6.031 10.827 ( -0.081 -0.684 -12.755) 12.774 10.827 ( 0.081 0.684 -12.755) 12.774 11.161 ( -1.120 -1.102 -2.220) 2.720 11.161 ( 1.120 1.102 -2.220) 2.720 11.941 ( -6.071 -0.217 2.815) 6.695 11.941 ( 6.071 0.217 2.815) 6.695 12.615 ( -10.266 -0.137 -1.301) 10.349 12.615 ( 10.266 0.137 -1.301) 10.349 13.195 ( -0.001 -1.645 10.022) 10.156 13.195 ( 0.001 1.645 10.022) 10.156 13.628 ( -0.400 -0.179 -0.665) 0.796 13.628 ( 0.400 0.179 -0.665) 0.796 14.051 ( -0.738 -2.472 -2.154) 3.361 14.051 ( 0.738 2.472 -2.154) 3.361 14.921 ( -7.506 -1.276 8.290) 11.256 14.921 ( 7.506 1.276 8.290) 11.256 15.161 ( -5.315 -1.063 -1.323) 5.580 15.161 ( 5.315 1.063 -1.323) 5.580 16.105 ( -3.133 -6.128 -4.928) 8.465 16.105 ( 3.133 6.128 -4.928) 8.465 17.574 ( -0.267 -3.918 7.219) 8.218 17.574 ( 0.267 3.918 7.219) 8.218 18.128 ( -0.380 -5.732 1.095) 5.848 18.128 ( 0.380 5.732 1.095) 5.848 18.794 ( -0.014 -3.701 0.441) 3.727 18.794 ( 0.014 3.701 0.441) 3.727 27.471 ( -0.426 -0.466 0.798) 1.018 27.471 ( 0.426 0.466 0.798) 1.018 30.327 ( -4.220 -0.148 16.013) 16.561 30.327 ( 4.220 0.148 16.013) 16.561 30.921 ( -0.099 -7.438 5.706) 9.375 30.921 ( 0.099 7.438 5.706) 9.375 31.172 ( -5.684 -5.319 -15.805) 17.618 31.172 ( 5.684 5.319 -15.805) 17.618 ======================= Grid point 495 (151/180) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( 0.000 0.000 -30.599) 30.599 3.719 ( 0.000 0.000 30.599) 30.599 3.893 ( 0.000 0.000 -22.607) 22.607 3.893 ( 0.000 0.000 22.607) 22.607 5.353 ( 0.000 0.000 -4.728) 4.728 5.353 ( 0.000 0.000 4.728) 4.728 5.562 ( 0.000 0.000 -16.325) 16.325 5.562 ( 0.000 0.000 16.325) 16.325 5.871 ( 0.000 0.000 -14.175) 14.175 5.871 ( 0.000 0.000 14.175) 14.175 7.074 ( 0.000 0.000 -12.468) 12.468 7.074 ( 0.000 0.000 12.468) 12.468 10.495 ( 0.000 0.000 -9.786) 9.786 10.495 ( 0.000 0.000 9.786) 9.786 11.125 ( 0.000 0.000 -3.195) 3.195 11.125 ( 0.000 0.000 3.195) 3.195 11.678 ( 0.000 0.000 -9.016) 9.016 11.678 ( 0.000 0.000 9.016) 9.016 12.060 ( 0.000 0.000 -1.019) 1.019 12.060 ( 0.000 0.000 1.019) 1.019 12.708 ( 0.000 0.000 -1.616) 1.616 12.708 ( 0.000 0.000 1.616) 1.616 13.135 ( 0.000 0.000 -5.400) 5.400 13.135 ( 0.000 0.000 5.400) 5.400 13.896 ( 0.000 0.000 -2.854) 2.854 13.896 ( 0.000 0.000 2.854) 2.854 14.370 ( 0.000 0.000 -4.236) 4.236 14.370 ( 0.000 0.000 4.236) 4.236 14.690 ( 0.000 0.000 -1.007) 1.007 14.690 ( 0.000 0.000 1.007) 1.007 15.177 ( 0.000 0.000 -4.931) 4.931 15.177 ( 0.000 0.000 4.931) 4.931 16.051 ( 0.000 0.000 -3.579) 3.579 16.051 ( 0.000 0.000 3.579) 3.579 17.654 ( 0.000 0.000 -4.248) 4.248 17.654 ( 0.000 0.000 4.248) 4.248 18.151 ( 0.000 0.000 -9.026) 9.026 18.151 ( 0.000 0.000 9.026) 9.026 18.687 ( 0.000 0.000 -7.206) 7.206 18.687 ( 0.000 0.000 7.206) 7.206 27.355 ( 0.000 0.000 -2.086) 2.086 27.355 ( 0.000 0.000 2.086) 2.086 30.101 ( 0.000 0.000 -10.400) 10.400 30.101 ( 0.000 0.000 10.400) 10.400 30.128 ( 0.000 0.000 -5.279) 5.279 30.128 ( 0.000 0.000 5.279) 5.279 31.915 ( 0.000 0.000 -16.437) 16.437 31.915 ( 0.000 0.000 16.437) 16.437 ======================= Grid point 497 (152/180) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.755 ( 4.746 0.000 -22.685) 23.176 3.755 ( 4.746 0.000 22.685) 23.176 4.077 ( 15.173 0.000 -16.371) 22.321 4.077 ( 15.173 0.000 16.371) 22.321 5.261 ( -7.032 0.000 -6.129) 9.328 5.261 ( -7.032 0.000 6.129) 9.328 5.556 ( -2.287 0.000 -15.197) 15.368 5.556 ( -2.287 0.000 15.197) 15.368 5.968 ( 9.792 0.000 -12.058) 15.533 5.968 ( 9.792 0.000 12.058) 15.533 7.152 ( 6.493 0.000 -9.246) 11.298 7.152 ( 6.493 0.000 9.246) 11.298 10.364 ( -8.360 0.000 -7.688) 11.358 10.364 ( -8.360 0.000 7.688) 11.358 11.156 ( -6.068 0.000 -0.344) 6.077 11.156 ( -6.068 0.000 0.344) 6.077 11.546 ( 0.368 0.000 -3.906) 3.923 11.546 ( 0.368 0.000 3.906) 3.923 12.297 ( 11.979 0.000 -1.495) 12.072 12.297 ( 11.979 0.000 1.495) 12.072 12.660 ( -0.662 0.000 -1.704) 1.828 12.660 ( -0.662 0.000 1.704) 1.828 13.186 ( 3.560 0.000 -3.810) 5.214 13.186 ( 3.560 0.000 3.810) 5.214 13.909 ( 1.241 0.000 -2.741) 3.009 13.909 ( 1.241 0.000 2.741) 3.009 14.354 ( -1.919 0.000 -4.140) 4.563 14.354 ( -1.919 0.000 4.140) 4.563 14.686 ( -0.056 0.000 -0.364) 0.368 14.686 ( -0.056 0.000 0.364) 0.368 15.018 ( -13.227 0.000 -2.223) 13.412 15.018 ( -13.227 0.000 2.223) 13.412 16.147 ( 7.670 0.000 -4.481) 8.883 16.147 ( 7.670 0.000 4.481) 8.883 17.623 ( -2.497 0.000 -3.632) 4.408 17.623 ( -2.497 0.000 3.632) 4.408 18.202 ( 4.275 0.000 -7.997) 9.068 18.202 ( 4.275 0.000 7.997) 9.068 18.639 ( -4.402 0.000 -6.609) 7.941 18.639 ( -4.402 0.000 6.609) 7.941 27.354 ( -0.052 0.000 -2.016) 2.016 27.354 ( -0.052 0.000 2.016) 2.016 30.013 ( -4.331 0.000 -5.525) 7.020 30.013 ( -4.331 0.000 5.525) 7.020 30.209 ( 3.510 0.000 -8.901) 9.568 30.209 ( 3.510 0.000 8.901) 9.568 31.913 ( -0.037 0.000 -15.342) 15.342 31.913 ( -0.037 0.000 15.342) 15.342 ======================= Grid point 499 (153/180) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.922 ( 11.134 0.000 -15.602) 19.167 3.922 ( 11.134 0.000 15.602) 19.167 4.409 ( 14.801 0.000 -14.135) 20.466 4.409 ( 14.801 0.000 14.135) 20.466 5.100 ( -8.490 0.000 -3.378) 9.138 5.100 ( -8.490 0.000 3.378) 9.138 5.490 ( -2.787 0.000 -19.822) 20.017 5.490 ( -2.787 0.000 19.822) 20.017 6.236 ( 14.686 0.000 -10.207) 17.884 6.236 ( 14.686 0.000 10.207) 17.884 7.283 ( 5.305 0.000 -3.050) 6.119 7.283 ( 5.305 0.000 3.050) 6.119 10.284 ( 1.936 0.000 -4.657) 5.044 10.284 ( 1.936 0.000 4.657) 5.044 10.869 ( -16.696 0.000 -3.712) 17.104 10.869 ( -16.696 0.000 3.712) 17.104 11.703 ( 9.331 0.000 -3.614) 10.007 11.703 ( 9.331 0.000 3.614) 10.007 12.280 ( -9.564 0.000 -1.329) 9.656 12.280 ( -9.564 0.000 1.329) 9.656 12.871 ( 16.477 0.000 -3.340) 16.812 12.871 ( 16.477 0.000 3.340) 16.812 13.244 ( 2.316 0.000 -2.022) 3.075 13.244 ( 2.316 0.000 2.022) 3.075 13.932 ( 0.095 0.000 -2.110) 2.112 13.932 ( 0.095 0.000 2.110) 2.112 14.277 ( -5.403 0.000 -4.613) 7.104 14.277 ( -5.403 0.000 4.613) 7.104 14.661 ( -7.477 0.000 -0.602) 7.501 14.661 ( -7.477 0.000 0.602) 7.501 14.769 ( -4.042 0.000 -2.083) 4.547 14.769 ( -4.042 0.000 2.083) 4.547 16.306 ( 7.008 0.000 -4.563) 8.363 16.306 ( 7.008 0.000 4.563) 8.363 17.574 ( -1.997 0.000 -2.952) 3.564 17.574 ( -1.997 0.000 2.952) 3.564 18.292 ( 3.689 0.000 -6.568) 7.533 18.292 ( 3.689 0.000 6.568) 7.533 18.528 ( -5.502 0.000 -5.342) 7.668 18.528 ( -5.502 0.000 5.342) 7.668 27.355 ( 0.163 0.000 -1.668) 1.676 27.355 ( 0.163 0.000 1.668) 1.676 29.943 ( -2.469 0.000 -2.507) 3.518 29.943 ( -2.469 0.000 2.507) 3.518 30.249 ( 0.355 0.000 -8.368) 8.375 30.249 ( 0.355 0.000 8.368) 8.375 31.919 ( 0.627 0.000 -11.925) 11.942 31.919 ( 0.627 0.000 11.925) 11.942 ======================= Grid point 501 (154/180) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( 13.319 0.000 -7.393) 15.233 4.184 ( 13.319 0.000 7.393) 15.233 4.617 ( 4.506 0.000 -6.305) 7.750 4.617 ( 4.506 0.000 6.305) 7.750 4.922 ( -8.071 0.000 -2.808) 8.545 4.922 ( -8.071 0.000 2.808) 8.545 5.472 ( 0.857 0.000 -17.353) 17.374 5.472 ( 0.857 0.000 17.353) 17.374 6.493 ( 8.657 0.000 -6.636) 10.908 6.493 ( 8.657 0.000 6.636) 10.908 7.370 ( 3.660 0.000 -0.711) 3.729 7.370 ( 3.660 0.000 0.711) 3.729 10.416 ( 6.897 0.000 -2.411) 7.306 10.416 ( 6.897 0.000 2.411) 7.306 10.577 ( -8.416 0.000 -1.783) 8.603 10.577 ( -8.416 0.000 1.783) 8.603 11.821 ( 0.167 0.000 -6.705) 6.707 11.821 ( 0.167 0.000 6.705) 6.707 12.081 ( -6.544 0.000 -3.573) 7.456 12.081 ( -6.544 0.000 3.573) 7.456 13.115 ( 4.353 0.000 -2.344) 4.944 13.115 ( 4.353 0.000 2.344) 4.944 13.363 ( 11.476 0.000 -0.379) 11.482 13.363 ( 11.476 0.000 0.379) 11.482 13.866 ( -7.020 0.000 -1.233) 7.128 13.866 ( -7.020 0.000 1.233) 7.128 14.177 ( -3.271 0.000 -5.187) 6.132 14.177 ( -3.271 0.000 5.187) 6.132 14.459 ( -7.815 0.000 -3.305) 8.485 14.459 ( -7.815 0.000 3.305) 8.485 14.802 ( 2.846 0.000 -0.106) 2.848 14.802 ( 2.846 0.000 0.106) 2.848 16.419 ( 3.779 0.000 -2.851) 4.734 16.419 ( 3.779 0.000 2.851) 4.734 17.546 ( -0.726 0.000 -1.962) 2.092 17.546 ( -0.726 0.000 1.962) 2.092 18.315 ( -1.627 0.000 -3.197) 3.587 18.315 ( -1.627 0.000 3.197) 3.587 18.462 ( -0.396 0.000 -2.180) 2.215 18.462 ( -0.396 0.000 2.180) 2.215 27.360 ( 0.261 0.000 -0.947) 0.982 27.360 ( 0.261 0.000 0.947) 0.982 29.911 ( -0.695 0.000 -0.479) 0.845 29.911 ( -0.695 0.000 0.479) 0.845 30.233 ( -1.376 0.000 -5.270) 5.447 30.233 ( -1.376 0.000 5.270) 5.447 31.936 ( 0.852 0.000 -6.474) 6.530 31.936 ( 0.852 0.000 6.474) 6.530 ======================= Grid point 503 (155/180) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.374 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 7.418 ( 0.000 0.000 0.000) 0.000 7.418 ( 0.000 0.000 0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 11.769 ( 0.000 0.000 0.000) 0.000 11.769 ( 0.000 0.000 0.000) 0.000 12.041 ( 0.000 0.000 0.000) 0.000 12.041 ( 0.000 0.000 0.000) 0.000 13.139 ( 0.000 0.000 -0.000) 0.000 13.139 ( 0.000 0.000 0.000) 0.000 13.575 ( -0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.714 ( 0.000 0.000 0.000) 0.000 13.714 ( 0.000 0.000 0.000) 0.000 14.144 ( 0.000 0.000 0.000) 0.000 14.144 ( 0.000 0.000 0.000) 0.000 14.378 ( 0.000 0.000 0.000) 0.000 14.378 ( 0.000 0.000 0.000) 0.000 14.836 ( 0.000 0.000 0.000) 0.000 14.836 ( 0.000 0.000 0.000) 0.000 16.458 ( 0.000 0.000 0.000) 0.000 16.458 ( 0.000 0.000 0.000) 0.000 17.540 ( 0.000 0.000 0.000) 0.000 17.540 ( 0.000 0.000 0.000) 0.000 18.286 ( 0.000 0.000 -0.000) 0.000 18.286 ( 0.000 0.000 0.000) 0.000 18.467 ( 0.000 0.000 -0.000) 0.000 18.467 ( 0.000 0.000 0.000) 0.000 27.363 ( 0.000 0.000 0.000) 0.000 27.363 ( 0.000 0.000 0.000) 0.000 29.906 ( 0.000 0.000 0.000) 0.000 29.906 ( 0.000 0.000 0.000) 0.000 30.215 ( 0.000 0.000 0.000) 0.000 30.215 ( 0.000 0.000 0.000) 0.000 31.946 ( 0.000 0.000 0.000) 0.000 31.946 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 513 (156/180) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( 0.000 18.925 -28.959) 34.595 3.917 ( 0.000 18.925 28.959) 34.595 3.948 ( 0.000 5.637 -22.565) 23.258 3.948 ( 0.000 5.637 22.565) 23.258 5.285 ( 0.000 -5.803 -4.918) 7.607 5.285 ( 0.000 -5.803 4.918) 7.607 5.569 ( 0.000 0.678 -15.685) 15.700 5.569 ( 0.000 0.678 15.685) 15.700 5.988 ( 0.000 11.300 -15.320) 19.036 5.988 ( 0.000 11.300 15.320) 19.036 7.000 ( 0.000 -7.572 -13.303) 15.307 7.000 ( 0.000 -7.572 13.303) 15.307 10.391 ( 0.000 -9.931 -8.131) 12.835 10.391 ( 0.000 -9.931 8.131) 12.835 10.978 ( 0.000 -13.685 -6.234) 15.038 10.978 ( 0.000 -13.685 6.234) 15.038 11.668 ( 0.000 -1.831 -7.315) 7.541 11.668 ( 0.000 -1.831 7.315) 7.541 12.042 ( 0.000 -1.208 -3.727) 3.918 12.042 ( 0.000 -1.208 3.727) 3.918 12.866 ( 0.000 14.158 -2.983) 14.469 12.866 ( 0.000 14.158 2.983) 14.469 13.120 ( 0.000 -1.273 -7.339) 7.449 13.120 ( 0.000 -1.273 7.339) 7.449 13.793 ( 0.000 -8.963 -3.967) 9.801 13.793 ( 0.000 -8.963 3.967) 9.801 14.359 ( 0.000 -1.037 -4.839) 4.949 14.359 ( 0.000 -1.037 4.839) 4.949 14.756 ( 0.000 4.408 -3.315) 5.515 14.756 ( 0.000 4.408 3.315) 5.515 15.181 ( 0.000 0.430 -5.334) 5.352 15.181 ( 0.000 0.430 5.334) 5.352 16.087 ( 0.000 3.764 -5.954) 7.044 16.087 ( 0.000 3.764 5.954) 7.044 17.652 ( 0.000 0.388 -5.832) 5.845 17.652 ( 0.000 0.388 5.832) 5.845 18.159 ( 0.000 0.779 -8.775) 8.810 18.159 ( 0.000 0.779 8.775) 8.810 18.694 ( 0.000 0.496 -6.718) 6.736 18.694 ( 0.000 0.496 6.718) 6.736 27.360 ( 0.000 0.514 -2.052) 2.115 27.360 ( 0.000 0.514 2.052) 2.115 30.102 ( 0.000 0.092 -10.084) 10.084 30.102 ( 0.000 0.092 10.084) 10.084 30.183 ( 0.000 5.483 -6.139) 8.231 30.183 ( 0.000 5.483 6.139) 8.231 31.889 ( 0.000 -2.593 -16.101) 16.309 31.889 ( 0.000 -2.593 16.101) 16.309 ======================= Grid point 515 (157/180) ======================= q-point: ( 0.12 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( 3.381 14.115 -17.176) 22.487 3.912 ( 3.381 14.115 17.175) 22.487 4.150 ( 14.405 8.294 -12.138) 20.583 4.150 ( 14.405 8.294 12.138) 20.583 5.219 ( -5.054 -3.564 -4.721) 7.780 5.219 ( -5.054 -3.564 4.721) 7.780 5.583 ( -0.687 2.191 -16.379) 16.539 5.583 ( -0.687 2.191 16.379) 16.539 6.040 ( 6.299 7.547 -13.482) 16.685 6.040 ( 6.299 7.547 13.482) 16.685 7.079 ( 6.700 -7.322 -10.388) 14.367 7.079 ( 6.700 -7.322 10.388) 14.367 10.280 ( -6.653 -7.938 -6.670) 12.319 10.280 ( -6.653 -7.938 6.670) 12.319 11.078 ( 2.238 -9.048 -5.960) 11.064 11.078 ( 2.238 -9.048 5.960) 11.064 11.490 ( -6.233 -4.114 -6.129) 9.661 11.490 ( -6.233 -4.114 6.129) 9.661 12.233 ( 9.363 -4.843 -4.221) 11.355 12.233 ( 9.363 -4.843 4.221) 11.355 12.799 ( -2.855 10.732 -1.980) 11.281 12.799 ( -2.855 10.732 1.980) 11.281 13.191 ( 4.837 1.169 -4.712) 6.853 13.191 ( 4.837 1.169 4.712) 6.853 13.809 ( 1.543 -8.221 -3.977) 9.262 13.809 ( 1.543 -8.221 3.977) 9.262 14.359 ( -0.265 0.054 -5.321) 5.328 14.359 ( -0.265 0.054 5.321) 5.328 14.711 ( -4.491 0.847 -2.944) 5.437 14.711 ( -4.491 0.847 2.944) 5.437 15.077 ( -8.090 5.696 -3.939) 10.649 15.077 ( -8.090 5.696 3.939) 10.649 16.156 ( 5.668 1.113 -5.627) 8.064 16.156 ( 5.668 1.113 5.627) 8.064 17.627 ( -2.031 0.938 -5.107) 5.576 17.627 ( -2.031 0.938 5.107) 5.576 18.200 ( 3.434 -0.193 -7.561) 8.307 18.200 ( 3.434 -0.193 7.561) 8.307 18.651 ( -3.815 1.103 -6.162) 7.331 18.651 ( -3.815 1.103 6.162) 7.331 27.360 ( 0.056 0.631 -1.973) 2.072 27.360 ( 0.056 0.631 1.973) 2.072 30.039 ( -3.665 2.282 -6.084) 7.461 30.039 ( -3.665 2.282 6.084) 7.461 30.247 ( 3.551 4.082 -8.942) 10.451 30.247 ( 3.551 4.082 8.942) 10.451 31.881 ( -0.584 -3.208 -15.119) 15.467 31.881 ( -0.584 -3.208 15.119) 15.467 ======================= Grid point 517 (158/180) ======================= q-point: ( 0.25 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.049 ( 9.418 11.718 -13.711) 20.347 4.049 ( 9.418 11.718 13.711) 20.347 4.454 ( 13.080 5.226 -11.386) 18.112 4.454 ( 13.080 5.226 11.386) 18.112 5.114 ( -4.848 1.567 -6.561) 8.307 5.114 ( -4.848 1.567 6.561) 8.307 5.527 ( -3.448 3.685 -20.390) 21.005 5.527 ( -3.448 3.685 20.390) 21.005 6.238 ( 11.103 0.307 -10.540) 15.313 6.238 ( 11.103 0.307 10.540) 15.313 7.227 ( 7.106 -5.470 -6.354) 10.991 7.227 ( 7.106 -5.470 6.354) 10.991 10.236 ( 3.401 -4.547 -4.894) 7.497 10.236 ( 3.401 -4.547 4.894) 7.497 10.900 ( -14.200 2.380 -4.113) 14.974 10.900 ( -14.200 2.380 4.113) 14.974 11.586 ( 9.881 -11.102 -2.251) 15.032 11.586 ( 9.881 -11.102 2.251) 15.032 12.239 ( -7.811 -4.014 -3.351) 9.400 12.239 ( -7.811 -4.014 3.351) 9.400 12.852 ( 6.201 -1.679 -3.936) 7.534 12.852 ( 6.201 -1.679 3.936) 7.534 13.287 ( 4.874 3.322 -5.930) 8.364 13.287 ( 4.874 3.322 5.930) 8.364 13.848 ( 1.928 -5.594 -4.004) 7.145 13.848 ( 1.928 -5.594 4.004) 7.145 14.323 ( -3.823 2.881 -7.847) 9.192 14.323 ( -3.823 2.881 7.847) 9.192 14.576 ( -7.713 -4.469 -4.978) 10.210 14.576 ( -7.713 -4.469 4.978) 10.210 14.944 ( -3.614 12.371 -3.041) 13.242 14.944 ( -3.614 12.371 3.041) 13.242 16.277 ( 5.473 -2.730 -4.960) 7.874 16.277 ( 5.473 -2.730 4.960) 7.874 17.586 ( -1.782 1.611 -3.902) 4.582 17.586 ( -1.782 1.611 3.902) 4.582 18.266 ( 2.194 -2.613 -5.550) 6.515 18.266 ( 2.194 -2.613 5.550) 6.515 18.562 ( -3.984 3.223 -5.229) 7.322 18.562 ( -3.984 3.223 5.229) 7.322 27.363 ( 0.297 0.889 -1.638) 1.888 27.363 ( 0.297 0.889 1.638) 1.888 29.981 ( -1.904 3.665 -3.102) 5.165 29.981 ( -1.904 3.665 3.102) 5.165 30.293 ( 0.717 4.553 -9.099) 10.199 30.293 ( 0.717 4.553 9.099) 10.199 31.873 ( -0.060 -4.622 -11.930) 12.794 31.873 ( -0.060 -4.622 11.930) 12.794 ======================= Grid point 519 (159/180) ======================= q-point: ( 0.38 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.271 ( 11.155 7.244 -7.990) 15.516 4.271 ( 11.155 7.244 7.990) 15.516 4.624 ( 3.026 3.342 -6.414) 7.840 4.624 ( 3.026 3.342 6.414) 7.840 5.020 ( -4.183 8.858 -11.089) 14.796 5.020 ( -4.183 8.858 11.089) 14.796 5.491 ( 0.227 2.068 -18.441) 18.558 5.491 ( 0.227 2.068 18.441) 18.558 6.412 ( 4.640 -7.722 -6.508) 11.114 6.412 ( 4.640 -7.722 6.508) 11.114 7.372 ( 6.826 -0.275 -4.135) 7.985 7.372 ( 6.826 -0.275 4.135) 7.985 10.374 ( 6.116 -3.216 -3.731) 7.853 10.374 ( 6.116 -3.216 3.731) 7.853 10.662 ( -5.530 6.903 -2.942) 9.321 10.662 ( -5.530 6.903 2.942) 9.321 11.728 ( 1.372 -8.795 -5.207) 10.313 11.728 ( 1.372 -8.795 5.207) 10.313 12.052 ( -6.591 -3.083 -3.892) 8.252 12.052 ( -6.591 -3.083 3.892) 8.252 12.937 ( 1.440 -13.750 -4.474) 14.531 12.937 ( 1.440 -13.750 4.474) 14.531 13.397 ( 4.999 0.386 -8.146) 9.565 13.397 ( 4.999 0.386 8.146) 9.565 13.878 ( 1.115 1.338 -3.484) 3.895 13.878 ( 1.115 1.338 3.484) 3.895 14.220 ( -4.761 2.340 -8.967) 10.419 14.220 ( -4.761 2.340 8.967) 10.419 14.442 ( -4.954 0.823 -3.895) 6.356 14.442 ( -4.954 0.823 3.895) 6.356 14.921 ( 0.432 9.989 -1.865) 10.171 14.921 ( 0.432 9.989 1.865) 10.171 16.366 ( 3.035 -5.156 -3.938) 7.163 16.366 ( 3.035 -5.156 3.938) 7.163 17.558 ( -0.862 1.573 -2.312) 2.926 17.558 ( -0.862 1.573 2.312) 2.926 18.272 ( -1.229 -4.025 -5.065) 6.585 18.272 ( -1.229 -4.025 5.065) 6.585 18.516 ( -0.544 4.939 -5.473) 7.392 18.516 ( -0.544 4.939 5.473) 7.392 27.371 ( 0.344 1.115 -1.023) 1.552 27.371 ( 0.344 1.115 1.023) 1.552 29.960 ( -0.268 4.778 -1.692) 5.075 29.960 ( -0.268 4.778 1.692) 5.075 30.283 ( -1.229 5.133 -6.263) 8.190 30.283 ( -1.229 5.133 6.263) 8.190 31.879 ( 0.453 -5.854 -6.616) 8.846 31.879 ( 0.453 -5.854 6.616) 8.846 ======================= Grid point 521 (160/180) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.424 ( 0.000 1.360 -2.037) 2.449 4.424 ( 0.000 1.360 2.037) 2.449 4.623 ( 0.000 7.209 -0.395) 7.220 4.623 ( 0.000 7.209 0.395) 7.220 4.969 ( 0.000 11.122 -1.990) 11.299 4.969 ( 0.000 11.122 1.990) 11.299 5.504 ( 0.000 1.627 -0.897) 1.858 5.504 ( 0.000 1.627 0.897) 1.858 6.448 ( 0.000 -11.592 -1.229) 11.657 6.448 ( -0.000 -11.592 1.229) 11.657 7.457 ( 0.000 2.544 -1.013) 2.738 7.457 ( 0.000 2.544 1.013) 2.738 10.392 ( 0.000 -0.582 -0.364) 0.686 10.392 ( 0.000 -0.582 0.364) 0.686 10.679 ( 0.000 6.612 -1.877) 6.873 10.679 ( 0.000 6.612 1.877) 6.873 11.687 ( 0.000 -7.460 -1.817) 7.678 11.687 ( 0.000 -7.460 1.817) 7.678 12.012 ( 0.000 -3.058 -3.987) 5.025 12.012 ( 0.000 -3.058 3.987) 5.025 12.943 ( 0.000 -17.317 -1.379) 17.372 12.943 ( 0.000 -17.317 1.379) 17.372 13.452 ( 0.000 -5.098 -6.662) 8.389 13.452 ( 0.000 -5.098 6.662) 8.389 13.895 ( -0.000 7.400 -1.795) 7.614 13.895 ( 0.000 7.400 1.795) 7.614 14.167 ( 0.000 1.479 -7.731) 7.871 14.167 ( 0.000 1.479 7.731) 7.871 14.386 ( 0.000 3.931 -0.732) 3.998 14.386 ( 0.000 3.931 0.732) 3.998 14.930 ( 0.000 8.081 -0.701) 8.112 14.930 ( 0.000 8.081 0.701) 8.112 16.398 ( 0.000 -5.951 -3.294) 6.802 16.398 ( 0.000 -5.951 3.294) 6.802 17.550 ( 0.000 1.342 -0.242) 1.364 17.550 ( 0.000 1.342 0.242) 1.364 18.253 ( 0.000 -3.508 -5.345) 6.393 18.253 ( 0.000 -3.508 5.345) 6.393 18.515 ( 0.000 4.732 -5.604) 7.335 18.515 ( 0.000 4.732 5.604) 7.335 27.375 ( 0.000 1.200 -0.544) 1.317 27.375 ( 0.000 1.200 0.544) 1.317 29.960 ( 0.000 5.282 -0.925) 5.363 29.960 ( 0.000 5.282 0.925) 5.363 30.266 ( 0.000 5.265 -2.279) 5.737 30.266 ( 0.000 5.265 2.279) 5.737 31.884 ( 0.000 -6.294 -1.130) 6.395 31.884 ( 0.000 -6.294 1.130) 6.395 ======================= Grid point 531 (161/180) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.101 ( 0.000 9.979 -22.384) 24.508 4.101 ( 0.000 9.979 22.384) 24.508 4.338 ( 0.000 21.988 -26.857) 34.710 4.338 ( 0.000 21.988 26.857) 34.710 5.177 ( 0.000 -4.645 -6.855) 8.280 5.177 ( 0.000 -4.645 6.855) 8.280 5.581 ( 0.000 0.336 -13.433) 13.437 5.581 ( 0.000 0.336 13.433) 13.437 6.285 ( 0.000 19.560 -16.243) 25.425 6.285 ( 0.000 19.560 16.243) 25.425 6.799 ( 0.000 -12.808 -14.961) 19.694 6.799 ( 0.000 -12.808 14.961) 19.694 10.168 ( 0.000 -11.909 -6.446) 13.542 10.168 ( 0.000 -11.909 6.446) 13.542 10.675 ( 0.000 -16.393 -8.235) 18.345 10.675 ( 0.000 -16.393 8.235) 18.345 11.579 ( 0.000 -7.739 -4.983) 9.205 11.579 ( 0.000 -7.739 4.983) 9.205 12.025 ( 0.000 -0.612 -3.782) 3.831 12.025 ( 0.000 -0.612 3.782) 3.831 13.102 ( 0.000 -0.365 -9.947) 9.954 13.102 ( 0.000 -0.365 9.947) 9.954 13.161 ( 0.000 14.964 -2.918) 15.245 13.161 ( 0.000 14.964 2.918) 15.245 13.610 ( 0.000 -9.347 -3.794) 10.088 13.610 ( 0.000 -9.347 3.794) 10.088 14.342 ( 0.000 -0.331 -5.981) 5.991 14.342 ( 0.000 -0.331 5.981) 5.991 14.776 ( 0.000 -3.085 -4.951) 5.833 14.776 ( 0.000 -3.085 4.951) 5.833 15.190 ( 0.000 0.405 -6.287) 6.300 15.190 ( 0.000 0.405 6.287) 6.300 16.186 ( 0.000 6.046 -7.732) 9.815 16.186 ( 0.000 6.046 7.732) 9.815 17.702 ( 0.000 5.444 -7.514) 9.279 17.702 ( 0.000 5.444 7.514) 9.279 18.178 ( 0.000 1.222 -8.115) 8.206 18.178 ( 0.000 1.222 8.115) 8.206 18.695 ( 0.000 -0.574 -5.823) 5.851 18.695 ( 0.000 -0.574 5.823) 5.851 27.374 ( 0.000 0.927 -1.914) 2.127 27.374 ( 0.000 0.927 1.914) 2.127 30.105 ( 0.000 0.147 -9.208) 9.209 30.105 ( 0.000 0.147 9.208) 9.209 30.319 ( 0.000 8.020 -7.583) 11.037 30.319 ( 0.000 8.020 7.583) 11.037 31.825 ( 0.000 -3.719 -15.101) 15.552 31.825 ( 0.000 -3.719 15.101) 15.552 ======================= Grid point 533 (162/180) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.170 ( 5.412 11.787 -18.572) 22.653 4.170 ( 5.412 11.787 18.572) 22.653 4.421 ( 8.144 17.982 -20.437) 28.414 4.421 ( 8.144 17.982 20.437) 28.414 5.157 ( -1.169 -2.299 -6.100) 6.623 5.157 ( -1.169 -2.299 6.100) 6.623 5.621 ( 2.325 1.391 -15.972) 16.200 5.621 ( 2.325 1.391 15.972) 16.200 6.252 ( -1.604 13.940 -13.001) 19.129 6.252 ( -1.604 13.940 13.001) 19.129 6.896 ( 8.198 -10.534 -12.337) 18.176 6.896 ( 8.198 -10.534 12.337) 18.176 10.103 ( -2.999 -9.357 -5.687) 11.352 10.103 ( -2.999 -9.357 5.687) 11.352 10.825 ( 10.642 -15.514 -8.013) 20.449 10.825 ( 10.642 -15.514 8.013) 20.449 11.415 ( -10.660 -4.379 -5.347) 12.704 11.415 ( -10.660 -4.379 5.347) 12.704 12.127 ( 4.923 -6.262 -4.113) 8.965 12.127 ( 4.923 -6.262 4.113) 8.965 12.973 ( -7.092 6.818 -5.060) 11.063 12.973 ( -7.092 6.818 5.060) 11.063 13.248 ( 3.933 4.145 -4.102) 7.034 13.248 ( 3.933 4.145 4.102) 7.034 13.668 ( 5.131 -5.452 -3.695) 8.349 13.668 ( 5.131 -5.452 3.695) 8.349 14.359 ( 1.342 0.232 -6.522) 6.663 14.359 ( 1.342 0.232 6.522) 6.663 14.677 ( -8.699 -4.469 -4.661) 10.834 14.677 ( -8.699 -4.469 4.661) 10.834 15.182 ( -0.883 3.791 -5.083) 6.402 15.182 ( -0.883 3.791 5.083) 6.402 16.199 ( 1.129 3.469 -6.436) 7.398 16.199 ( 1.129 3.469 6.436) 7.398 17.685 ( -1.442 5.525 -6.389) 8.569 17.685 ( -1.442 5.525 6.389) 8.569 18.194 ( 1.046 -0.438 -6.334) 6.435 18.194 ( 1.046 -0.438 6.334) 6.435 18.671 ( -1.994 0.724 -5.467) 5.864 18.671 ( -1.994 0.724 5.467) 5.864 27.377 ( 0.309 1.090 -1.827) 2.150 27.377 ( 0.309 1.090 1.827) 2.150 30.084 ( -1.353 2.238 -6.861) 7.343 30.084 ( -1.353 2.238 6.861) 7.343 30.361 ( 3.207 7.285 -9.432) 12.342 30.361 ( 3.207 7.285 9.432) 12.342 31.801 ( -2.116 -4.776 -14.435) 15.351 31.801 ( -2.116 -4.776 14.435) 15.351 ======================= Grid point 535 (163/180) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.287 ( 5.789 11.585 -14.639) 19.546 4.287 ( 5.789 11.585 14.639) 19.546 4.629 ( 10.167 12.460 -15.062) 22.034 4.629 ( 10.167 12.460 15.062) 22.034 5.163 ( 2.214 3.534 -8.767) 9.708 5.163 ( 2.214 3.534 8.767) 9.708 5.619 ( -2.632 5.350 -21.176) 22.000 5.619 ( -2.632 5.350 21.176) 22.000 6.256 ( 1.113 1.894 -9.925) 10.165 6.256 ( 1.113 1.894 9.925) 10.165 7.097 ( 11.160 -7.292 -10.452) 16.940 7.097 ( 11.160 -7.292 10.452) 16.940 10.131 ( 6.074 -5.961 -4.863) 9.802 10.131 ( 6.074 -5.961 4.863) 9.802 10.908 ( -5.271 -3.001 -5.629) 8.275 10.908 ( -5.271 -3.001 5.629) 8.275 11.356 ( 7.455 -10.561 -2.861) 13.239 11.356 ( 7.455 -10.561 2.861) 13.239 12.112 ( -6.445 -9.619 -3.945) 12.232 12.112 ( -6.445 -9.619 3.945) 12.232 12.848 ( -5.657 2.409 -5.373) 8.165 12.848 ( -5.657 2.409 5.373) 8.165 13.319 ( 3.093 -0.501 -6.966) 7.639 13.319 ( 3.093 -0.501 6.966) 7.639 13.792 ( 6.326 -0.276 -4.125) 7.557 13.792 ( 6.326 -0.276 4.125) 7.557 14.345 ( -5.560 -1.455 -9.840) 11.396 14.345 ( -5.560 -1.455 9.840) 11.396 14.516 ( -2.786 -1.195 -6.557) 7.224 14.516 ( -2.786 -1.195 6.557) 7.224 15.152 ( -1.972 7.882 -3.044) 8.676 15.152 ( -1.972 7.882 3.044) 8.676 16.225 ( 1.272 -1.813 -5.614) 6.035 16.225 ( 1.272 -1.813 5.614) 6.035 17.650 ( -1.810 5.217 -4.363) 7.038 17.650 ( -1.810 5.217 4.363) 7.038 18.201 ( -0.543 -3.787 -4.032) 5.558 18.201 ( -0.543 -3.787 4.032) 5.558 18.634 ( -1.223 3.796 -5.292) 6.627 18.634 ( -1.223 3.796 5.292) 6.627 27.386 ( 0.607 1.445 -1.541) 2.198 27.386 ( 0.607 1.445 1.541) 2.198 30.068 ( -0.094 5.111 -4.585) 6.866 30.068 ( -0.094 5.111 4.585) 6.866 30.416 ( 1.669 7.858 -10.789) 13.451 30.416 ( 1.669 7.858 10.789) 13.451 31.753 ( -2.175 -7.475 -11.976) 14.284 31.753 ( -2.175 -7.475 11.976) 14.284 ======================= Grid point 537 (164/180) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.393 ( 4.004 5.871 -10.040) 12.300 4.393 ( 4.004 5.871 10.040) 12.300 4.800 ( 6.664 13.236 -13.396) 19.976 4.800 ( 6.664 13.236 13.396) 19.976 5.216 ( 1.004 10.474 -15.505) 18.738 5.216 ( 1.004 10.474 15.505) 18.738 5.564 ( -1.063 6.087 -20.910) 21.804 5.564 ( -1.063 6.087 20.910) 21.804 6.245 ( -2.353 -8.178 -6.040) 10.436 6.245 ( -2.353 -8.178 6.040) 10.436 7.335 ( 10.651 -4.113 -6.411) 13.094 7.335 ( 10.651 -4.113 6.411) 13.094 10.301 ( 7.680 -4.645 -3.144) 9.510 10.301 ( 7.680 -4.645 3.144) 9.510 10.779 ( -3.186 3.934 -2.109) 5.484 10.779 ( -3.186 3.934 2.109) 5.484 11.542 ( 5.719 -8.898 -2.461) 10.860 11.542 ( 5.720 -8.898 2.461) 10.860 11.947 ( -5.924 -8.364 -2.905) 10.653 11.947 ( -5.924 -8.364 2.905) 10.653 12.712 ( -7.375 -7.429 -4.111) 11.247 12.712 ( -7.375 -7.429 4.111) 11.247 13.366 ( 1.245 -2.790 -8.410) 8.948 13.366 ( 1.245 -2.790 8.410) 8.948 13.903 ( 3.906 0.657 -3.801) 5.490 13.903 ( 3.906 0.657 3.801) 5.490 14.195 ( -5.738 -4.359 -10.556) 12.781 14.195 ( -5.738 -4.359 10.556) 12.781 14.544 ( 2.744 8.337 -5.740) 10.487 14.544 ( 2.744 8.337 5.740) 10.487 15.107 ( -2.163 8.012 -1.837) 8.500 15.107 ( -2.163 8.012 1.837) 8.500 16.247 ( 0.727 -6.362 -6.574) 9.177 16.247 ( 0.727 -6.362 6.574) 9.177 17.615 ( -1.439 4.226 -2.789) 5.264 17.615 ( -1.439 4.226 2.789) 5.264 18.179 ( -1.187 -5.103 -5.755) 7.782 18.179 ( -1.187 -5.103 5.755) 7.782 18.624 ( -0.009 5.681 -5.832) 8.142 18.624 ( -0.009 5.681 5.832) 8.142 27.399 ( 0.534 1.749 -1.120) 2.145 27.399 ( 0.534 1.749 1.120) 2.145 30.079 ( 0.969 7.319 -3.495) 8.169 30.079 ( 0.969 7.319 3.495) 8.169 30.423 ( -0.668 9.125 -8.470) 12.468 30.423 ( -0.668 9.125 8.470) 12.468 31.721 ( -0.868 -10.169 -7.112) 12.440 31.721 ( -0.868 -10.169 7.112) 12.440 ======================= Grid point 539 (165/180) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.435 ( 0.000 2.303 -0.158) 2.308 4.435 ( 0.000 2.303 0.158) 2.308 4.884 ( 0.000 16.137 -5.466) 17.038 4.884 ( -0.000 16.137 5.466) 17.038 5.203 ( 0.000 12.160 -10.295) 15.932 5.203 ( 0.000 12.160 10.295) 15.932 5.570 ( 0.000 6.321 -5.643) 8.473 5.570 ( 0.000 6.321 5.643) 8.473 6.206 ( 0.000 -11.928 -1.036) 11.972 6.206 ( -0.000 -11.928 1.036) 11.972 7.459 ( 0.000 -3.266 -0.635) 3.327 7.459 ( 0.000 -3.266 0.635) 3.327 10.369 ( 0.000 -2.370 -0.347) 2.395 10.369 ( 0.000 -2.370 0.347) 2.395 10.787 ( 0.000 2.772 -3.796) 4.700 10.787 ( 0.000 2.772 3.796) 4.700 11.548 ( 0.000 -5.838 -1.121) 5.944 11.548 ( 0.000 -5.838 1.121) 5.944 11.929 ( 0.000 -4.800 -4.118) 6.325 11.929 ( 0.000 -4.800 4.118) 6.325 12.612 ( 0.000 -14.625 -1.474) 14.699 12.612 ( 0.000 -14.625 1.474) 14.699 13.376 ( 0.000 -3.353 -8.364) 9.011 13.376 ( 0.000 -3.353 8.364) 9.011 13.942 ( 0.000 -0.906 -1.593) 1.832 13.942 ( -0.000 -0.906 1.593) 1.832 14.140 ( 0.000 -3.634 -11.270) 11.841 14.140 ( 0.000 -3.634 11.270) 11.841 14.578 ( 0.000 13.286 -3.249) 13.677 14.578 ( 0.000 13.286 3.249) 13.677 15.080 ( 0.000 6.472 -0.327) 6.480 15.080 ( 0.000 6.472 0.327) 6.480 16.254 ( 0.000 -8.138 -7.048) 10.766 16.254 ( 0.000 -8.138 7.048) 10.766 17.599 ( 0.000 3.623 -2.280) 4.281 17.599 ( 0.000 3.623 2.280) 4.281 18.166 ( 0.000 -4.942 -6.883) 8.473 18.166 ( 0.000 -4.942 6.883) 8.473 18.625 ( 0.000 6.011 -6.053) 8.531 18.625 ( 0.000 6.011 6.053) 8.531 27.405 ( 0.000 1.862 -0.878) 2.059 27.405 ( 0.000 1.862 0.878) 2.059 30.093 ( 0.000 8.257 -1.561) 8.403 30.093 ( 0.000 8.257 1.561) 8.403 30.411 ( 0.000 9.559 -4.127) 10.411 30.411 ( 0.000 9.559 4.127) 10.411 31.714 ( 0.000 -11.208 -2.168) 11.416 31.714 ( 0.000 -11.208 2.168) 11.416 ======================= Grid point 549 (166/180) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.316 ( 0.000 12.119 -22.155) 25.253 4.316 ( 0.000 12.119 22.155) 25.253 4.676 ( 0.000 12.396 -26.997) 29.707 4.676 ( 0.000 12.396 26.997) 29.707 5.123 ( 0.000 -0.948 -11.042) 11.083 5.123 ( 0.000 -0.948 11.042) 11.083 5.567 ( 0.000 -2.217 -9.247) 9.509 5.567 ( 0.000 -2.217 9.247) 9.509 6.542 ( 0.000 -12.898 -15.706) 20.323 6.542 ( 0.000 -12.898 15.706) 20.323 6.712 ( 0.000 23.489 -13.686) 27.185 6.712 ( 0.000 23.489 13.686) 27.185 9.983 ( 0.000 -6.315 -6.576) 9.117 9.983 ( 0.000 -6.315 6.576) 9.117 10.389 ( 0.000 -12.816 -7.993) 15.104 10.389 ( 0.000 -12.816 7.993) 15.104 11.381 ( 0.000 -12.311 -4.042) 12.958 11.381 ( 0.000 -12.311 4.042) 12.958 12.016 ( 0.000 -0.317 -2.759) 2.777 12.016 ( 0.000 -0.317 2.759) 2.777 13.097 ( 0.000 -0.659 -9.107) 9.131 13.097 ( 0.000 -0.659 9.107) 9.131 13.399 ( 0.000 9.344 -2.642) 9.710 13.399 ( 0.000 9.344 2.642) 9.710 13.450 ( 0.000 -7.001 -4.658) 8.409 13.450 ( 0.000 -7.001 4.658) 8.409 14.357 ( 0.000 1.974 -5.957) 6.275 14.357 ( 0.000 1.974 5.957) 6.275 14.654 ( 0.000 -8.495 -4.848) 9.781 14.654 ( 0.000 -8.495 4.848) 9.781 15.194 ( 0.000 0.029 -7.459) 7.459 15.194 ( 0.000 0.029 7.459) 7.459 16.293 ( 0.000 4.698 -6.197) 7.777 16.293 ( 0.000 4.698 6.197) 7.777 17.864 ( 0.000 10.986 -7.355) 13.221 17.864 ( 0.000 10.986 7.355) 13.221 18.202 ( 0.000 1.176 -7.281) 7.375 18.202 ( 0.000 1.176 7.281) 7.375 18.663 ( 0.000 -2.892 -5.302) 6.039 18.663 ( 0.000 -2.892 5.302) 6.039 27.393 ( 0.000 1.019 -1.753) 2.027 27.393 ( 0.000 1.019 1.753) 2.027 30.108 ( 0.000 0.146 -8.003) 8.004 30.108 ( 0.000 0.146 8.003) 8.004 30.467 ( 0.000 6.880 -8.162) 10.675 30.467 ( 0.000 6.880 8.162) 10.675 31.759 ( 0.000 -2.968 -13.349) 13.675 31.759 ( 0.000 -2.968 13.349) 13.675 ======================= Grid point 551 (167/180) ======================= q-point: ( 0.12 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.395 ( 6.061 11.952 -19.164) 23.384 4.395 ( 6.061 11.952 19.164) 23.384 4.721 ( 4.677 11.900 -24.185) 27.357 4.721 ( 4.677 11.900 24.185) 27.357 5.140 ( 2.219 0.426 -9.850) 10.106 5.140 ( 2.219 0.426 9.850) 10.106 5.624 ( 4.528 -1.449 -11.851) 12.769 5.624 ( 4.528 -1.449 11.851) 12.769 6.451 ( -6.325 0.126 -8.984) 10.988 6.451 ( -6.325 0.126 8.984) 10.988 6.808 ( 7.076 7.629 -11.081) 15.200 6.808 ( 7.076 7.629 11.081) 15.200 9.957 ( -0.329 -5.275 -6.079) 8.056 9.957 ( -0.329 -5.275 6.079) 8.056 10.546 ( 12.598 -12.507 -7.880) 19.422 10.546 ( 12.598 -12.507 7.880) 19.422 11.296 ( -6.620 -8.281 -4.360) 11.463 11.296 ( -6.620 -8.281 4.360) 11.463 12.005 ( -2.324 -5.954 -2.871) 7.007 12.005 ( -2.324 -5.954 2.871) 7.007 13.072 ( -2.996 3.588 -8.510) 9.709 13.072 ( -2.996 3.588 8.510) 9.709 13.301 ( -3.074 1.115 -1.869) 3.766 13.301 ( -3.074 1.115 1.869) 3.766 13.613 ( 9.488 -0.798 -3.214) 10.049 13.613 ( 9.488 -0.798 3.214) 10.049 14.371 ( 0.372 0.510 -5.802) 5.836 14.371 ( 0.372 0.510 5.802) 5.836 14.561 ( -7.068 -6.333 -3.980) 10.291 14.561 ( -7.068 -6.333 3.980) 10.291 15.210 ( 1.161 -0.299 -6.321) 6.434 15.210 ( 1.161 -0.299 6.321) 6.434 16.278 ( -1.565 4.240 -5.426) 7.062 16.278 ( -1.565 4.240 5.426) 7.062 17.835 ( -2.584 9.482 -5.778) 11.401 17.835 ( -2.584 9.482 5.778) 11.401 18.187 ( -1.632 -0.134 -4.838) 5.108 18.187 ( -1.632 -0.134 4.838) 5.108 18.670 ( 0.721 -1.033 -5.218) 5.368 18.670 ( 0.721 -1.033 5.218) 5.368 27.399 ( 0.573 1.155 -1.670) 2.110 27.399 ( 0.573 1.155 1.670) 2.110 30.124 ( 1.558 1.862 -7.113) 7.516 30.124 ( 1.558 1.862 7.113) 7.516 30.499 ( 2.903 6.534 -9.605) 11.974 30.499 ( 2.903 6.534 9.605) 11.974 31.713 ( -4.159 -4.028 -13.047) 14.274 31.713 ( -4.159 -4.028 13.047) 14.274 ======================= Grid point 553 (168/180) ======================= q-point: ( 0.25 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.496 ( 3.209 10.787 -13.660) 17.699 4.496 ( 3.209 10.787 13.660) 17.699 4.861 ( 8.141 10.266 -21.552) 25.222 4.861 ( 8.141 10.266 21.552) 25.222 5.240 ( 7.391 4.100 -9.848) 12.977 5.240 ( 7.391 4.100 9.848) 12.977 5.699 ( 1.812 2.196 -17.427) 17.658 5.699 ( 1.812 2.196 17.427) 17.658 6.319 ( -6.575 3.951 -6.206) 9.868 6.319 ( -6.575 3.951 6.206) 9.868 6.983 ( 10.116 -3.528 -11.135) 15.453 6.983 ( 10.116 -3.528 11.135) 15.453 10.022 ( 6.673 -5.084 -5.162) 9.850 10.022 ( 6.673 -5.084 5.162) 9.850 10.783 ( 6.595 -8.060 -6.696) 12.381 10.783 ( 6.595 -8.060 6.696) 12.381 11.221 ( 3.340 -4.538 -4.546) 7.240 11.221 ( 3.340 -4.538 4.546) 7.240 11.891 ( -8.374 -12.286 -2.889) 15.146 11.891 ( -8.374 -12.286 2.889) 15.146 12.950 ( -9.189 7.424 -6.285) 13.381 12.950 ( -9.189 7.424 6.285) 13.381 13.293 ( 1.343 -1.150 -4.722) 5.042 13.293 ( 1.343 -1.150 4.722) 5.042 13.793 ( 7.232 -0.928 -3.881) 8.259 13.793 ( 7.232 -0.928 3.881) 8.259 14.253 ( -10.381 -7.348 -5.869) 14.007 14.253 ( -10.381 -7.348 5.869) 14.007 14.544 ( 5.629 3.500 -6.675) 9.407 14.544 ( 5.629 3.500 6.675) 9.407 15.225 ( -0.103 0.142 -4.290) 4.294 15.225 ( -0.103 0.142 4.290) 4.294 16.228 ( -3.214 1.959 -6.010) 7.091 16.228 ( -3.214 1.959 6.010) 7.091 17.769 ( -3.688 6.185 -4.392) 8.435 17.769 ( -3.688 6.185 4.392) 8.435 18.141 ( -2.377 -1.849 -4.748) 5.622 18.141 ( -2.377 -1.849 4.748) 5.622 18.693 ( 1.348 2.102 -5.216) 5.783 18.693 ( 1.348 2.102 5.216) 5.783 27.415 ( 0.925 1.448 -1.420) 2.229 27.415 ( 0.925 1.448 1.420) 2.229 30.170 ( 2.845 5.404 -6.389) 8.839 30.170 ( 2.845 5.404 6.389) 8.839 30.566 ( 3.034 7.001 -12.094) 14.300 30.566 ( 3.034 7.001 12.094) 14.300 31.606 ( -5.640 -7.258 -11.777) 14.940 31.606 ( -5.640 -7.258 11.777) 14.940 ======================= Grid point 555 (169/180) ======================= q-point: ( 0.38 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.533 ( 0.693 8.846 -8.520) 12.301 4.533 ( 0.693 8.846 8.520) 12.301 5.032 ( 8.201 9.426 -19.411) 23.085 5.032 ( 8.201 9.426 19.411) 23.085 5.380 ( 3.727 6.413 -12.075) 14.172 5.380 ( 3.727 6.413 12.075) 14.172 5.712 ( 1.229 7.220 -15.509) 17.152 5.712 ( 1.229 7.220 15.509) 17.152 6.176 ( -7.132 3.202 -4.801) 9.174 6.176 ( -7.132 3.202 4.801) 9.174 7.202 ( 9.717 -9.825 -6.597) 15.313 7.202 ( 9.717 -9.825 6.597) 15.312 10.191 ( 8.106 -6.645 -3.397) 11.019 10.191 ( 8.106 -6.645 3.397) 11.019 10.791 ( -1.978 -1.997 -1.672) 3.271 10.791 ( -1.978 -1.997 1.672) 3.271 11.412 ( 6.827 -5.586 -1.706) 8.984 11.412 ( 6.827 -5.586 1.706) 8.984 11.757 ( 1.139 -9.619 -0.791) 9.719 11.757 ( 1.139 -9.619 0.791) 9.719 12.689 ( -15.652 4.449 -4.308) 16.832 12.689 ( -15.652 4.449 4.308) 16.832 13.317 ( 0.659 -1.752 -6.081) 6.363 13.317 ( 0.659 -1.752 6.081) 6.363 13.881 ( 1.135 -3.707 -3.385) 5.147 13.881 ( 1.135 -3.707 3.385) 5.147 14.092 ( -3.806 -5.439 -8.151) 10.513 14.092 ( -3.806 -5.439 8.151) 10.513 14.704 ( 8.513 7.611 -7.254) 13.529 14.704 ( 8.513 7.611 7.254) 13.529 15.198 ( -2.504 1.405 -2.776) 3.994 15.198 ( -2.504 1.405 2.776) 3.994 16.157 ( -3.172 -2.472 -8.177) 9.113 16.157 ( -3.172 -2.472 8.177) 9.113 17.696 ( -2.935 3.258 -4.837) 6.529 17.696 ( -2.935 3.258 4.837) 6.529 18.105 ( -1.051 -1.875 -7.514) 7.815 18.105 ( -1.051 -1.875 7.514) 7.815 18.717 ( 0.870 3.813 -5.228) 6.528 18.717 ( 0.870 3.813 5.228) 6.528 27.433 ( 0.724 1.692 -1.070) 2.129 27.433 ( 0.724 1.692 1.070) 2.129 30.233 ( 2.954 8.605 -5.514) 10.638 30.233 ( 2.954 8.605 5.514) 10.638 30.605 ( 0.647 8.979 -11.010) 14.222 30.605 ( 0.647 8.979 11.010) 14.222 31.507 ( -3.550 -11.623 -8.069) 14.588 31.507 ( -3.550 -11.623 8.069) 14.588 ======================= Grid point 557 (170/180) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.538 ( 0.000 8.012 -3.139) 8.605 4.538 ( 0.000 8.012 3.139) 8.605 5.144 ( 0.000 9.548 -10.577) 14.249 5.144 ( -0.000 9.548 10.577) 14.249 5.384 ( 0.000 6.766 -12.935) 14.597 5.384 ( 0.000 6.766 12.935) 14.597 5.754 ( 0.000 9.313 -4.609) 10.391 5.754 ( 0.000 9.313 4.609) 10.391 6.079 ( 0.000 2.578 -1.786) 3.136 6.079 ( -0.000 2.578 1.786) 3.136 7.313 ( 0.000 -12.019 -0.180) 12.021 7.313 ( 0.000 -12.019 0.180) 12.021 10.284 ( 0.000 -6.372 -1.577) 6.564 10.284 ( 0.000 -6.372 1.577) 6.564 10.776 ( 0.000 -2.573 -3.333) 4.211 10.776 ( 0.000 -2.573 3.333) 4.211 11.409 ( 0.000 -10.301 -3.204) 10.787 11.409 ( -0.000 -10.301 3.204) 10.787 11.906 ( 0.000 2.938 -3.111) 4.279 11.906 ( 0.000 2.938 3.111) 4.279 12.445 ( 0.000 -2.160 -2.155) 3.051 12.445 ( 0.000 -2.160 2.155) 3.051 13.322 ( 0.000 -2.041 -6.168) 6.497 13.322 ( 0.000 -2.041 6.168) 6.497 13.881 ( 0.000 -5.772 -1.647) 6.002 13.881 ( 0.000 -5.772 1.647) 6.002 14.067 ( 0.000 -3.240 -8.264) 8.877 14.067 ( 0.000 -3.240 8.264) 8.877 14.815 ( 0.000 10.578 -4.863) 11.642 14.815 ( 0.000 10.578 4.863) 11.642 15.155 ( 0.000 1.272 -1.249) 1.782 15.155 ( 0.000 1.272 1.249) 1.782 16.121 ( 0.000 -5.158 -8.889) 10.277 16.121 ( 0.000 -5.158 8.889) 10.277 17.664 ( 0.000 2.254 -5.114) 5.589 17.664 ( 0.000 2.254 5.114) 5.589 18.095 ( 0.000 -1.631 -8.378) 8.536 18.095 ( 0.000 -1.631 8.378) 8.536 18.726 ( 0.000 4.257 -5.213) 6.730 18.726 ( 0.000 4.257 5.213) 6.730 27.441 ( 0.000 1.780 -0.873) 1.983 27.441 ( 0.000 1.780 0.873) 1.983 30.269 ( 0.000 10.020 -1.823) 10.184 30.269 ( 0.000 10.020 1.823) 10.184 30.607 ( 0.000 10.025 -5.442) 11.407 30.607 ( 0.000 10.025 5.442) 11.407 31.470 ( 0.000 -13.739 -3.184) 14.103 31.470 ( 0.000 -13.739 3.184) 14.103 ======================= Grid point 567 (171/180) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.541 ( 0.000 10.348 -22.448) 24.718 4.541 ( 0.000 10.348 22.448) 24.718 4.827 ( 0.000 4.365 -27.970) 28.309 4.827 ( 0.000 4.365 27.970) 28.309 5.126 ( 0.000 0.561 -13.902) 13.914 5.126 ( 0.000 0.561 13.902) 13.914 5.489 ( 0.000 -5.396 -5.203) 7.496 5.489 ( 0.000 -5.396 5.203) 7.496 6.345 ( 0.000 -7.024 -14.068) 15.724 6.345 ( 0.000 -7.024 14.068) 15.724 7.105 ( 0.000 15.490 -7.611) 17.259 7.105 ( 0.000 15.490 7.611) 17.259 9.943 ( 0.000 1.609 -7.382) 7.556 9.943 ( 0.000 1.609 7.382) 7.556 10.199 ( 0.000 -6.826 -6.304) 9.292 10.199 ( 0.000 -6.826 6.304) 9.292 11.140 ( 0.000 -11.508 -4.292) 12.283 11.140 ( 0.000 -11.508 4.292) 12.283 12.012 ( 0.000 -0.168 -1.653) 1.661 12.012 ( 0.000 -0.168 1.653) 1.661 13.064 ( 0.000 -2.506 -4.176) 4.870 13.064 ( 0.000 -2.506 4.176) 4.870 13.357 ( 0.000 -2.614 -13.074) 13.333 13.357 ( 0.000 -2.614 13.074) 13.333 13.519 ( 0.000 3.548 -1.767) 3.964 13.519 ( 0.000 3.548 1.767) 3.964 14.406 ( 0.000 2.607 -3.588) 4.435 14.406 ( 0.000 2.607 3.588) 4.435 14.500 ( 0.000 -6.418 -3.562) 7.340 14.500 ( 0.000 -6.418 3.562) 7.340 15.192 ( 0.000 -0.211 -8.591) 8.594 15.192 ( 0.000 -0.211 8.591) 8.594 16.360 ( 0.000 2.244 -5.250) 5.710 16.360 ( 0.000 2.244 5.250) 5.710 18.086 ( 0.000 11.023 -6.713) 12.906 18.086 ( 0.000 11.023 6.713) 12.906 18.221 ( 0.000 0.704 -6.584) 6.622 18.221 ( 0.000 0.704 6.584) 6.622 18.585 ( 0.000 -5.026 -4.735) 6.905 18.585 ( 0.000 -5.026 4.735) 6.905 27.410 ( 0.000 0.665 -1.706) 1.831 27.410 ( 0.000 0.665 1.706) 1.831 30.110 ( 0.000 0.089 -6.885) 6.885 30.110 ( 0.000 0.089 6.885) 6.885 30.569 ( 0.000 3.598 -7.562) 8.374 30.569 ( 0.000 3.598 7.562) 8.374 31.717 ( 0.000 -1.347 -11.042) 11.124 31.717 ( 0.000 -1.347 11.042) 11.124 ======================= Grid point 569 (172/180) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.612 ( 5.213 9.809 -14.404) 18.190 4.612 ( 5.213 9.809 14.404) 18.190 4.878 ( 4.872 5.093 -21.178) 22.320 4.878 ( 4.872 5.093 21.178) 22.320 5.160 ( 4.149 1.295 -12.138) 12.892 5.160 ( 4.149 1.295 12.137) 12.892 5.558 ( 6.106 -4.948 -6.313) 10.081 5.558 ( 6.106 -4.948 6.313) 10.081 6.344 ( 0.021 -5.999 -12.850) 14.182 6.344 ( 0.021 -5.999 12.850) 14.182 7.064 ( -3.549 12.686 -6.827) 14.837 7.064 ( -3.549 12.686 6.827) 14.837 9.909 ( -0.923 -0.261 -6.414) 6.486 9.909 ( -0.923 -0.261 6.414) 6.486 10.376 ( 14.256 -4.858 -5.408) 16.002 10.376 ( 14.256 -4.858 5.408) 16.002 11.114 ( -1.902 -9.538 -4.362) 10.659 11.114 ( -1.902 -9.538 4.362) 10.659 11.915 ( -8.740 -3.214 -1.545) 9.440 11.915 ( -8.740 -3.214 1.545) 9.440 13.105 ( 2.448 0.063 -4.738) 5.333 13.105 ( 2.448 0.063 4.738) 5.333 13.324 ( -1.802 1.762 -6.981) 7.422 13.324 ( -1.802 1.762 6.981) 7.422 13.601 ( 6.492 -0.905 -2.454) 6.999 13.601 ( 6.492 -0.905 2.454) 6.999 14.328 ( -8.524 -4.454 -4.745) 10.724 14.328 ( -8.524 -4.454 4.745) 10.724 14.510 ( 2.584 0.876 -3.105) 4.134 14.510 ( 2.584 0.876 3.105) 4.134 15.193 ( 0.083 -1.106 -7.780) 7.859 15.193 ( 0.083 -1.106 7.780) 7.859 16.345 ( -1.677 2.544 -5.529) 6.313 16.345 ( -1.677 2.544 5.529) 6.313 18.004 ( -6.844 6.691 -4.411) 10.539 18.004 ( -6.844 6.691 4.411) 10.539 18.199 ( -2.143 1.766 -4.993) 5.713 18.199 ( -2.143 1.766 4.993) 5.713 18.633 ( 3.887 -2.551 -4.339) 6.359 18.633 ( 3.887 -2.551 4.339) 6.359 27.418 ( 0.755 0.739 -1.623) 1.937 27.418 ( 0.755 0.739 1.623) 1.937 30.154 ( 4.109 1.202 -7.226) 8.399 30.154 ( 4.109 1.202 7.226) 8.399 30.595 ( 2.447 3.256 -8.478) 9.405 30.595 ( 2.447 3.256 8.478) 9.405 31.656 ( -5.780 -1.921 -10.798) 12.397 31.656 ( -5.780 -1.921 10.798) 12.397 ======================= Grid point 571 (173/180) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.691 ( 2.045 8.641 -13.194) 15.904 4.691 ( 2.045 8.641 13.194) 15.904 4.998 ( 6.286 3.928 -21.479) 22.721 4.998 ( 6.286 3.928 21.479) 22.722 5.318 ( 9.997 4.089 -8.917) 14.006 5.318 ( 9.997 4.089 8.917) 14.006 5.701 ( 6.814 -1.263 -7.472) 10.191 5.701 ( 6.814 -1.263 7.472) 10.191 6.346 ( -0.002 -1.668 -9.153) 9.304 6.346 ( -0.002 -1.668 9.153) 9.304 6.991 ( -2.597 3.526 -6.885) 8.159 6.991 ( -2.597 3.526 6.885) 8.159 9.945 ( 4.426 -2.846 -5.978) 7.964 9.945 ( 4.426 -2.846 5.978) 7.964 10.670 ( 10.471 -3.056 -4.029) 11.628 10.670 ( 10.471 -3.056 4.029) 11.628 11.135 ( 7.206 -4.694 -4.329) 9.628 11.135 ( 7.206 -4.694 4.329) 9.628 11.691 ( -11.791 -7.530 -1.667) 14.090 11.691 ( -11.791 -7.530 1.667) 14.090 13.080 ( -6.208 4.566 -7.453) 10.721 13.080 ( -6.208 4.566 7.453) 10.721 13.318 ( 0.702 4.847 -2.669) 5.578 13.318 ( 0.702 4.847 2.669) 5.578 13.726 ( 4.064 -6.318 -2.049) 7.786 13.726 ( 4.064 -6.318 2.049) 7.786 14.114 ( -9.542 -5.702 -5.744) 12.512 14.114 ( -9.542 -5.702 5.744) 12.512 14.619 ( 8.026 3.610 -5.163) 10.203 14.619 ( 8.026 3.610 5.163) 10.203 15.195 ( 0.012 -2.238 -5.972) 6.377 15.195 ( 0.012 -2.238 5.972) 6.377 16.277 ( -5.180 2.437 -6.625) 8.756 16.277 ( -5.180 2.437 6.625) 8.756 17.848 ( -7.559 1.790 -4.900) 9.184 17.848 ( -7.559 1.790 4.900) 9.184 18.149 ( -2.296 2.282 -6.535) 7.293 18.149 ( -2.296 2.282 6.535) 7.293 18.713 ( 3.486 0.213 -3.828) 5.182 18.713 ( 3.486 0.213 3.828) 5.182 27.438 ( 1.139 0.895 -1.342) 1.975 27.438 ( 1.139 0.895 1.342) 1.975 30.266 ( 6.403 4.219 -8.391) 11.367 30.266 ( 6.403 4.219 8.391) 11.367 30.662 ( 3.812 2.792 -11.069) 12.036 30.662 ( 3.812 2.792 11.069) 12.036 31.495 ( -9.277 -3.980 -10.075) 14.263 31.495 ( -9.277 -3.980 10.075) 14.263 ======================= Grid point 573 (174/180) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.706 ( -0.043 8.147 -9.920) 12.836 4.706 ( -0.043 8.147 9.920) 12.836 5.137 ( 6.898 1.812 -17.273) 18.688 5.137 ( 6.898 1.812 17.273) 18.688 5.472 ( 3.392 3.093 -3.147) 5.566 5.472 ( 3.392 3.093 3.147) 5.566 5.817 ( 4.510 5.616 -2.314) 7.566 5.817 ( 4.510 5.616 2.314) 7.566 6.334 ( -1.240 9.106 -3.451) 9.816 6.334 ( -1.240 9.106 3.451) 9.816 6.985 ( 1.757 -11.151 -5.009) 12.350 6.985 ( 1.757 -11.151 5.009) 12.350 10.071 ( 6.843 -5.137 -4.515) 9.675 10.071 ( 6.843 -5.137 4.515) 9.675 10.740 ( -0.856 -2.635 -0.603) 2.835 10.740 ( -0.856 -2.635 0.603) 2.835 11.302 ( -3.138 -5.249 -1.277) 6.247 11.302 ( -3.138 -5.249 1.277) 6.247 11.631 ( 15.714 -3.551 -1.856) 16.217 11.631 ( 15.714 -3.551 1.856) 16.217 12.826 ( -18.189 7.824 -5.210) 20.474 12.826 ( -18.189 7.824 5.210) 20.474 13.316 ( -0.809 2.102 -3.263) 3.965 13.316 ( -0.809 2.102 3.263) 3.965 13.741 ( -1.030 -10.097 -0.822) 10.182 13.741 ( -1.030 -10.097 0.822) 10.182 14.023 ( -0.367 -1.790 -4.290) 4.663 14.023 ( -0.367 -1.790 4.290) 4.663 14.822 ( 10.689 4.582 -6.886) 13.515 14.822 ( 10.689 4.582 6.886) 13.515 15.183 ( -1.461 -1.931 -4.238) 4.881 15.183 ( -1.461 -1.931 4.238) 4.881 16.144 ( -6.748 0.487 -7.147) 9.841 16.144 ( -6.748 0.487 7.147) 9.841 17.719 ( -4.530 -0.424 -4.410) 6.337 17.719 ( -4.530 -0.424 4.410) 6.337 18.115 ( -0.928 2.166 -6.323) 6.747 18.115 ( -0.928 2.166 6.323) 6.747 18.767 ( 1.684 1.474 -3.440) 4.104 18.767 ( 1.684 1.474 3.440) 4.104 27.460 ( 0.847 1.021 -0.876) 1.590 27.460 ( 0.847 1.021 0.876) 1.590 30.398 ( 5.819 8.007 -8.336) 12.941 30.398 ( 5.819 8.007 8.336) 12.941 30.735 ( 2.913 3.930 -12.728) 13.636 30.735 ( 2.913 3.930 12.728) 13.636 31.306 ( -8.168 -8.392 -8.383) 14.402 31.306 ( -8.168 -8.392 8.383) 14.402 ======================= Grid point 575 (175/180) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.704 ( 0.000 7.988 -4.081) 8.970 4.704 ( 0.000 7.988 4.081) 8.970 5.229 ( 0.000 0.253 -4.424) 4.431 5.229 ( 0.000 0.253 4.424) 4.431 5.484 ( 0.000 3.134 -0.012) 3.134 5.484 ( 0.000 3.134 0.012) 3.134 5.871 ( 0.000 6.646 -3.842) 7.677 5.871 ( 0.000 6.646 3.842) 7.677 6.314 ( 0.000 16.407 -4.731) 17.076 6.314 ( 0.000 16.407 4.731) 17.076 7.015 ( 0.000 -18.165 -1.041) 18.194 7.015 ( -0.000 -18.165 1.041) 18.194 10.159 ( 0.000 -5.560 -1.482) 5.754 10.159 ( 0.000 -5.560 1.482) 5.754 10.722 ( 0.000 -2.837 -1.153) 3.062 10.722 ( 0.000 -2.837 1.153) 3.062 11.214 ( 0.000 -7.962 -1.765) 8.155 11.214 ( 0.000 -7.962 1.765) 8.155 11.958 ( -0.000 1.254 -1.290) 1.799 11.958 ( -0.000 1.254 1.290) 1.799 12.513 ( 0.000 7.100 -1.026) 7.174 12.513 ( 0.000 7.100 1.026) 7.174 13.305 ( 0.000 0.366 -3.036) 3.058 13.305 ( 0.000 0.366 3.036) 3.058 13.731 ( 0.000 -8.783 -0.079) 8.784 13.731 ( 0.000 -8.783 0.079) 8.784 14.026 ( 0.000 -1.150 -3.419) 3.607 14.026 ( 0.000 -1.150 3.419) 3.607 14.970 ( 0.000 5.519 -4.070) 6.857 14.970 ( 0.000 5.519 4.070) 6.857 15.146 ( 0.000 -1.412 -0.251) 1.434 15.146 ( 0.000 -1.412 0.251) 1.434 16.061 ( 0.000 -1.395 -6.072) 6.230 16.061 ( 0.000 -1.395 6.072) 6.230 17.672 ( 0.000 -0.872 -4.068) 4.160 17.672 ( 0.000 -0.872 4.068) 4.160 18.107 ( 0.000 2.019 -5.959) 6.292 18.107 ( 0.000 2.019 5.959) 6.292 18.784 ( 0.000 1.812 -3.287) 3.754 18.784 ( 0.000 1.812 3.287) 3.754 27.469 ( 0.000 1.065 -0.536) 1.192 27.469 ( 0.000 1.065 0.536) 1.192 30.467 ( 0.000 10.081 -2.227) 10.324 30.467 ( 0.000 10.081 2.227) 10.324 30.767 ( 0.000 6.144 -6.802) 9.166 30.767 ( 0.000 6.144 6.802) 9.166 31.211 ( -0.000 -12.463 -4.289) 13.180 31.211 ( 0.000 -12.463 4.289) 13.180 ======================= Grid point 585 (176/180) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.656 ( 0.000 0.000 -23.149) 23.149 4.656 ( 0.000 0.000 23.149) 23.149 4.867 ( 0.000 0.000 -28.694) 28.694 4.867 ( 0.000 0.000 28.694) 28.694 5.132 ( 0.000 0.000 -13.492) 13.492 5.132 ( 0.000 0.000 13.492) 13.492 5.420 ( 0.000 0.000 -3.210) 3.210 5.420 ( 0.000 0.000 3.210) 3.210 6.279 ( 0.000 0.000 -12.188) 12.188 6.279 ( 0.000 0.000 12.188) 12.188 7.258 ( 0.000 0.000 -0.696) 0.696 7.258 ( 0.000 0.000 0.696) 0.696 9.979 ( 0.000 0.000 -8.137) 8.137 9.979 ( 0.000 0.000 8.137) 8.137 10.133 ( 0.000 0.000 -5.097) 5.097 10.133 ( 0.000 0.000 5.097) 5.097 11.012 ( 0.000 0.000 -4.800) 4.800 11.012 ( 0.000 0.000 4.800) 4.800 12.010 ( 0.000 0.000 -1.086) 1.086 12.010 ( 0.000 0.000 1.086) 1.086 13.033 ( 0.000 0.000 -2.754) 2.754 13.033 ( 0.000 0.000 2.754) 2.754 13.336 ( 0.000 0.000 -17.311) 17.311 13.336 ( 0.000 0.000 17.311) 17.311 13.550 ( 0.000 0.000 -1.161) 1.161 13.550 ( 0.000 0.000 1.161) 1.161 14.435 ( 0.000 0.000 -0.286) 0.286 14.435 ( 0.000 0.000 0.286) 0.286 14.436 ( 0.000 0.000 -2.790) 2.790 14.436 ( 0.000 0.000 2.790) 2.790 15.189 ( 0.000 0.000 -9.116) 9.116 15.189 ( 0.000 0.000 9.116) 9.116 16.381 ( 0.000 0.000 -5.395) 5.395 16.381 ( 0.000 0.000 5.395) 5.395 18.218 ( 0.000 0.000 -5.608) 5.608 18.218 ( 0.000 0.000 5.608) 5.608 18.228 ( 0.000 0.000 -6.310) 6.310 18.228 ( 0.000 0.000 6.310) 6.310 18.515 ( 0.000 0.000 -1.626) 1.626 18.515 ( 0.000 0.000 1.626) 1.626 27.417 ( 0.000 0.000 -1.717) 1.717 27.417 ( 0.000 0.000 1.717) 1.717 30.111 ( 0.000 0.000 -6.409) 6.409 30.111 ( 0.000 0.000 6.409) 6.409 30.603 ( 0.000 0.000 -6.986) 6.986 30.603 ( 0.000 0.000 6.986) 6.986 31.705 ( 0.000 0.000 -9.774) 9.774 31.705 ( 0.000 0.000 9.774) 9.774 ======================= Grid point 589 (177/180) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.718 ( 4.365 0.000 -4.726) 6.434 4.718 ( 4.365 0.000 4.726) 6.434 4.927 ( 5.124 0.000 -7.119) 8.771 4.927 ( 5.124 0.000 7.119) 8.771 5.178 ( 5.679 0.000 -11.027) 12.404 5.178 ( 5.679 -0.000 11.027) 12.404 5.491 ( 6.685 0.000 -2.785) 7.242 5.491 ( 6.685 0.000 2.785) 7.242 6.285 ( 0.633 0.000 -11.714) 11.731 6.285 ( 0.633 0.000 11.714) 11.731 7.194 ( -5.890 0.000 -1.114) 5.995 7.194 ( -5.890 0.000 1.114) 5.995 9.912 ( -2.418 0.000 -6.365) 6.809 9.912 ( -2.418 0.000 6.365) 6.809 10.341 ( 15.609 0.000 -2.568) 15.819 10.341 ( 15.609 0.000 2.568) 15.819 11.004 ( -0.246 0.000 -4.724) 4.731 11.004 ( -0.246 0.000 4.724) 4.731 11.884 ( -10.958 0.000 -0.756) 10.984 11.884 ( -10.958 0.000 0.756) 10.984 13.100 ( 4.210 0.000 -0.444) 4.234 13.100 ( 4.210 0.000 0.444) 4.234 13.348 ( 1.918 0.000 -12.506) 12.653 13.348 ( 1.918 0.000 12.506) 12.653 13.588 ( 2.990 0.000 -1.594) 3.388 13.588 ( 2.990 0.000 1.594) 3.388 14.276 ( -10.446 0.000 -4.828) 11.508 14.276 ( -10.446 0.000 4.828) 11.508 14.527 ( 4.669 0.000 -0.058) 4.669 14.527 ( 4.669 0.000 0.058) 4.669 15.180 ( -0.688 0.000 -8.460) 8.488 15.180 ( -0.688 0.000 8.460) 8.488 16.370 ( -1.419 0.000 -5.984) 6.150 16.370 ( -1.419 0.000 5.984) 6.150 18.064 ( -9.950 0.000 -4.146) 10.779 18.064 ( -9.950 0.000 4.146) 10.779 18.232 ( -1.961 0.000 -5.402) 5.746 18.232 ( -1.961 0.000 5.402) 5.746 18.599 ( 6.086 0.000 -0.465) 6.104 18.599 ( 6.086 0.000 0.465) 6.104 27.425 ( 0.818 0.000 -1.630) 1.824 27.425 ( 0.818 0.000 1.630) 1.824 30.166 ( 5.201 0.000 -7.299) 8.962 30.166 ( 5.201 0.000 7.299) 8.962 30.625 ( 2.091 0.000 -7.450) 7.738 30.625 ( 2.091 0.000 7.450) 7.738 31.638 ( -6.333 0.000 -9.381) 11.319 31.638 ( -6.333 0.000 9.381) 11.319 ======================= Grid point 593 (178/180) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.784 ( 1.725 0.000 -16.883) 16.971 4.784 ( 1.725 0.000 16.883) 16.971 5.028 ( 4.887 -0.000 -16.639) 17.342 5.028 ( 4.887 0.000 16.639) 17.342 5.369 ( 10.131 0.000 -7.826) 12.802 5.369 ( 10.131 -0.000 7.826) 12.802 5.682 ( 11.532 0.000 -0.928) 11.569 5.682 ( 11.532 0.000 0.928) 11.569 6.313 ( 2.549 0.000 -10.087) 10.404 6.313 ( 2.549 0.000 10.087) 10.404 7.040 ( -8.463 0.000 -5.014) 9.837 7.040 ( -8.463 0.000 5.014) 9.837 9.917 ( 2.873 0.000 -6.674) 7.266 9.917 ( 2.873 0.000 6.674) 7.266 10.650 ( 10.086 0.000 -1.191) 10.156 10.650 ( 10.086 0.000 1.191) 10.156 11.077 ( 10.887 0.000 -3.873) 11.555 11.077 ( 10.887 0.000 3.873) 11.555 11.619 ( -13.343 0.000 -0.807) 13.368 11.619 ( -13.343 0.000 0.807) 13.368 13.116 ( -3.444 0.000 -6.855) 7.671 13.116 ( -3.444 0.000 6.855) 7.671 13.420 ( 3.235 0.000 -3.136) 4.506 13.420 ( 3.235 0.000 3.136) 4.506 13.614 ( -2.187 0.000 -0.120) 2.191 13.614 ( -2.187 0.000 0.120) 2.191 14.060 ( -7.627 0.000 -6.579) 10.073 14.060 ( -7.627 0.000 6.579) 10.073 14.658 ( 8.520 0.000 -2.574) 8.901 14.658 ( 8.520 0.000 2.574) 8.901 15.169 ( -0.375 0.000 -6.789) 6.799 15.169 ( -0.375 0.000 6.789) 6.799 16.302 ( -5.521 0.000 -7.022) 8.932 16.302 ( -5.521 0.000 7.022) 8.932 17.859 ( -9.196 0.000 -3.857) 9.973 17.859 ( -9.196 0.000 3.857) 9.973 18.181 ( -2.450 0.000 -5.443) 5.969 18.181 ( -2.450 0.000 5.443) 5.969 18.713 ( 4.508 0.000 -1.018) 4.622 18.713 ( 4.508 0.000 1.018) 4.622 27.447 ( 1.212 0.000 -1.319) 1.791 27.447 ( 1.212 0.000 1.319) 1.791 30.311 ( 8.467 0.000 -9.538) 12.754 30.311 ( 8.467 0.000 9.538) 12.754 30.684 ( 3.501 0.000 -8.742) 9.416 30.684 ( 3.501 0.000 8.742) 9.416 31.458 ( -10.759 -0.000 -8.029) 13.424 31.458 ( -10.759 0.000 8.029) 13.424 ======================= Grid point 597 (179/180) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.795 ( -0.197 0.000 -11.527) 11.528 4.795 ( -0.197 0.000 11.527) 11.528 5.143 ( 5.842 0.000 -11.698) 13.076 5.143 ( 5.842 0.000 11.698) 13.076 5.499 ( 2.348 0.000 -1.061) 2.577 5.499 ( 2.348 0.000 1.061) 2.577 5.900 ( 7.413 0.000 -6.832) 10.081 5.900 ( 7.413 0.000 6.832) 10.081 6.420 ( 8.275 0.000 -5.292) 9.822 6.420 ( 8.275 0.000 5.292) 9.822 6.863 ( -8.632 0.000 -6.969) 11.094 6.863 ( -8.632 0.000 6.969) 11.094 10.018 ( 6.182 0.000 -5.048) 7.981 10.018 ( 6.182 0.000 5.048) 7.981 10.711 ( -1.071 0.000 -0.515) 1.188 10.711 ( -1.071 0.000 0.515) 1.188 11.247 ( -6.709 0.000 -0.677) 6.743 11.247 ( -6.709 0.000 0.677) 6.743 11.600 ( 20.929 0.000 -2.025) 21.027 11.600 ( 20.929 0.000 2.025) 21.027 12.913 ( -17.280 0.000 -6.090) 18.322 12.913 ( -17.280 0.000 6.090) 18.322 13.372 ( -5.265 0.000 -0.114) 5.266 13.372 ( -5.265 0.000 0.114) 5.266 13.595 ( 1.900 0.000 -0.379) 1.937 13.595 ( 1.900 0.000 0.379) 1.937 14.008 ( 0.397 0.000 -3.298) 3.322 14.008 ( 0.397 0.000 3.298) 3.322 14.869 ( 11.023 0.000 -5.906) 12.506 14.869 ( 11.023 0.000 5.906) 12.506 15.159 ( -0.963 0.000 -5.177) 5.266 15.159 ( -0.963 0.000 5.177) 5.266 16.153 ( -8.013 0.000 -6.142) 10.096 16.153 ( -8.013 0.000 6.142) 10.096 17.710 ( -4.987 0.000 -2.105) 5.413 17.710 ( -4.987 0.000 2.105) 5.413 18.143 ( -1.136 0.000 -3.117) 3.317 18.143 ( -1.136 0.000 3.117) 3.317 18.780 ( 2.052 0.000 -0.660) 2.156 18.780 ( 2.052 0.000 0.660) 2.156 27.470 ( 0.888 0.000 -0.745) 1.159 27.470 ( 0.888 0.000 0.745) 1.159 30.491 ( 8.255 0.000 -10.752) 13.556 30.491 ( 8.255 0.000 10.752) 13.556 30.762 ( 3.966 0.000 -9.666) 10.448 30.762 ( 3.966 0.000 9.666) 10.448 31.221 ( -11.459 -0.000 -4.963) 12.488 31.221 ( -11.459 0.000 4.963) 12.488 ======================= Grid point 601 (180/180) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.791 ( 0.000 0.000 -0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 -0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.572 ( 0.000 -0.000 0.000) 0.000 6.572 ( 0.000 0.000 0.000) 0.000 6.722 ( -0.000 -0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.688 ( 0.000 0.000 0.000) 0.000 10.688 ( 0.000 0.000 0.000) 0.000 11.138 ( 0.000 0.000 0.000) 0.000 11.138 ( 0.000 0.000 0.000) 0.000 11.965 ( -0.000 0.000 0.000) 0.000 11.965 ( -0.000 0.000 0.000) 0.000 12.602 ( 0.000 -0.000 0.000) 0.000 12.602 ( 0.000 0.000 0.000) 0.000 13.320 ( 0.000 0.000 0.000) 0.000 13.320 ( 0.000 0.000 0.000) 0.000 13.622 ( 0.000 0.000 0.000) 0.000 13.622 ( 0.000 0.000 0.000) 0.000 14.016 ( 0.000 0.000 0.000) 0.000 14.016 ( 0.000 0.000 0.000) 0.000 15.024 ( -0.000 0.000 0.000) 0.000 15.024 ( 0.000 0.000 0.000) 0.000 15.128 ( 0.000 0.000 0.000) 0.000 15.128 ( 0.000 0.000 0.000) 0.000 16.050 ( -0.000 0.000 -0.000) 0.000 16.050 ( 0.000 0.000 0.000) 0.000 17.659 ( 0.000 0.000 0.000) 0.000 17.659 ( 0.000 0.000 0.000) 0.000 18.132 ( 0.000 0.000 0.000) 0.000 18.132 ( 0.000 0.000 0.000) 0.000 18.800 ( 0.000 0.000 0.000) 0.000 18.800 ( 0.000 0.000 0.000) 0.000 27.480 ( 0.000 0.000 0.000) 0.000 27.480 ( 0.000 0.000 0.000) 0.000 30.591 ( 0.000 0.000 0.000) 0.000 30.591 ( 0.000 0.000 0.000) 0.000 30.827 ( 0.000 0.000 -0.000) 0.000 30.827 ( 0.000 0.000 -0.000) 0.000 31.064 ( -0.000 -0.000 -0.000) 0.000 31.064 ( 0.000 0.000 0.000) 0.000 =================== 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 3/38400 10.0 3772.177 8537.568 2685.257 0.000 0.000 0.000 3/38400 20.0 2359.534 2892.491 2117.651 0.000 0.000 0.000 3/38400 30.0 1175.136 1145.910 1163.219 0.000 0.000 0.000 3/38400 40.0 649.441 571.442 670.828 0.000 0.000 0.000 3/38400 50.0 421.910 348.705 449.446 0.000 0.000 0.000 3/38400 60.0 298.463 238.561 326.147 0.000 0.000 0.000 3/38400 70.0 219.342 172.707 245.292 0.000 0.000 0.000 3/38400 80.0 165.093 129.278 188.658 0.000 0.000 0.000 3/38400 90.0 127.013 99.342 148.054 0.000 0.000 0.000 3/38400 100.0 99.911 78.202 118.554 0.000 0.000 0.000 3/38400 110.0 80.341 62.982 96.836 0.000 0.000 0.000 3/38400 120.0 65.970 51.815 80.604 0.000 0.000 0.000 3/38400 130.0 55.224 43.463 68.273 0.000 0.000 0.000 3/38400 140.0 47.040 37.095 58.749 0.000 0.000 0.000 3/38400 150.0 40.693 32.151 51.269 0.000 0.000 0.000 3/38400 160.0 35.685 28.245 45.302 0.000 0.000 0.000 3/38400 170.0 31.671 25.109 40.471 0.000 0.000 0.000 3/38400 180.0 28.404 22.553 36.506 0.000 0.000 0.000 3/38400 190.0 25.710 20.441 33.208 0.000 0.000 0.000 3/38400 200.0 23.459 18.675 30.435 0.000 0.000 0.000 3/38400 210.0 21.558 17.181 28.077 0.000 0.000 0.000 3/38400 220.0 19.936 15.904 26.053 0.000 0.000 0.000 3/38400 230.0 18.538 14.801 24.300 0.000 0.000 0.000 3/38400 240.0 17.323 13.842 22.769 0.000 0.000 0.000 3/38400 250.0 16.259 13.001 21.423 0.000 0.000 0.000 3/38400 260.0 15.321 12.257 20.230 0.000 0.000 0.000 3/38400 270.0 14.487 11.596 19.166 0.000 0.000 0.000 3/38400 280.0 13.742 11.005 18.213 0.000 0.000 0.000 3/38400 290.0 13.073 10.473 17.353 0.000 0.000 0.000 3/38400 300.0 12.468 9.991 16.575 0.000 0.000 0.000 3/38400 310.0 11.920 9.554 15.867 0.000 0.000 0.000 3/38400 320.0 11.420 9.156 15.220 0.000 0.000 0.000 3/38400 330.0 10.963 8.790 14.627 0.000 0.000 0.000 3/38400 340.0 10.543 8.455 14.081 0.000 0.000 0.000 3/38400 350.0 10.155 8.145 13.576 0.000 0.000 0.000 3/38400 360.0 9.797 7.858 13.109 0.000 0.000 0.000 3/38400 370.0 9.465 7.592 12.675 0.000 0.000 0.000 3/38400 380.0 9.156 7.344 12.270 0.000 0.000 0.000 3/38400 390.0 8.868 7.113 11.892 0.000 0.000 0.000 3/38400 400.0 8.599 6.897 11.538 0.000 0.000 0.000 3/38400 410.0 8.346 6.694 11.206 0.000 0.000 0.000 3/38400 420.0 8.109 6.504 10.893 0.000 0.000 0.000 3/38400 430.0 7.886 6.324 10.599 0.000 0.000 0.000 3/38400 440.0 7.676 6.155 10.321 0.000 0.000 0.000 3/38400 450.0 7.477 5.995 10.058 0.000 0.000 0.000 3/38400 460.0 7.289 5.843 9.809 0.000 0.000 0.000 3/38400 470.0 7.110 5.700 9.573 0.000 0.000 0.000 3/38400 480.0 6.941 5.564 9.349 0.000 0.000 0.000 3/38400 490.0 6.780 5.434 9.135 0.000 0.000 0.000 3/38400 500.0 6.627 5.311 8.932 0.000 0.000 0.000 3/38400 510.0 6.481 5.193 8.738 0.000 0.000 0.000 3/38400 520.0 6.341 5.081 8.552 0.000 0.000 0.000 3/38400 530.0 6.208 4.973 8.375 0.000 0.000 0.000 3/38400 540.0 6.081 4.871 8.205 0.000 0.000 0.000 3/38400 550.0 5.959 4.772 8.043 0.000 0.000 0.000 3/38400 560.0 5.842 4.678 7.887 0.000 0.000 0.000 3/38400 570.0 5.730 4.588 7.737 0.000 0.000 0.000 3/38400 580.0 5.622 4.501 7.593 0.000 0.000 0.000 3/38400 590.0 5.518 4.417 7.454 0.000 0.000 0.000 3/38400 600.0 5.419 4.337 7.321 0.000 0.000 0.000 3/38400 610.0 5.323 4.260 7.193 0.000 0.000 0.000 3/38400 620.0 5.230 4.185 7.069 0.000 0.000 0.000 3/38400 630.0 5.141 4.113 6.949 0.000 0.000 0.000 3/38400 640.0 5.055 4.044 6.834 0.000 0.000 0.000 3/38400 650.0 4.972 3.977 6.723 0.000 0.000 0.000 3/38400 660.0 4.891 3.912 6.615 0.000 0.000 0.000 3/38400 670.0 4.814 3.850 6.511 0.000 0.000 0.000 3/38400 680.0 4.738 3.789 6.410 0.000 0.000 0.000 3/38400 690.0 4.666 3.731 6.312 0.000 0.000 0.000 3/38400 700.0 4.595 3.674 6.218 0.000 0.000 0.000 3/38400 710.0 4.527 3.619 6.126 0.000 0.000 0.000 3/38400 720.0 4.461 3.566 6.037 0.000 0.000 0.000 3/38400 730.0 4.396 3.514 5.951 0.000 0.000 0.000 3/38400 740.0 4.334 3.464 5.867 0.000 0.000 0.000 3/38400 750.0 4.273 3.415 5.785 0.000 0.000 0.000 3/38400 760.0 4.215 3.368 5.706 0.000 0.000 0.000 3/38400 770.0 4.157 3.322 5.629 0.000 0.000 0.000 3/38400 780.0 4.102 3.277 5.554 0.000 0.000 0.000 3/38400 790.0 4.048 3.233 5.482 0.000 0.000 0.000 3/38400 800.0 3.995 3.191 5.411 0.000 0.000 0.000 3/38400 810.0 3.944 3.150 5.342 0.000 0.000 0.000 3/38400 820.0 3.894 3.110 5.274 0.000 0.000 0.000 3/38400 830.0 3.845 3.071 5.209 0.000 0.000 0.000 3/38400 840.0 3.797 3.033 5.145 0.000 0.000 0.000 3/38400 850.0 3.751 2.995 5.083 0.000 0.000 0.000 3/38400 860.0 3.706 2.959 5.022 0.000 0.000 0.000 3/38400 870.0 3.662 2.924 4.962 0.000 0.000 0.000 3/38400 880.0 3.619 2.889 4.904 0.000 0.000 0.000 3/38400 890.0 3.577 2.856 4.848 0.000 0.000 0.000 3/38400 900.0 3.536 2.823 4.793 0.000 0.000 0.000 3/38400 910.0 3.496 2.791 4.739 0.000 0.000 0.000 3/38400 920.0 3.457 2.759 4.686 0.000 0.000 0.000 3/38400 930.0 3.419 2.729 4.634 0.000 0.000 0.000 3/38400 940.0 3.382 2.699 4.584 0.000 0.000 0.000 3/38400 950.0 3.345 2.669 4.535 0.000 0.000 0.000 3/38400 960.0 3.309 2.641 4.486 0.000 0.000 0.000 3/38400 970.0 3.274 2.613 4.439 0.000 0.000 0.000 3/38400 980.0 3.240 2.585 4.393 0.000 0.000 0.000 3/38400 990.0 3.207 2.558 4.348 0.000 0.000 0.000 3/38400 1000.0 3.174 2.532 4.303 0.000 0.000 0.000 3/38400 Thermal conductivity related properties were written into "kappa-m81010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:21:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|