----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:49:19]------------------------- 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: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.204906745599692 -1.916653060000000 0.000000000000000 b 7.204906745599692 1.916653060000000 0.000000000000000 c -3.100882398561838 0.000000000000000 7.756810134520324 Atomic positions (fractional): *1 S 0.18965960403802 0.18965960403802 0.67439148564640 32.065 2 S 0.81034039596198 0.81034039596198 0.32560851435360 32.065 *3 S 0.47582116240385 0.47582116240385 0.75765138002125 32.065 4 S 0.52417883759615 0.52417883759615 0.24234861997875 32.065 *5 Cu 0.58982749709538 0.58982749709538 0.63243918502144 63.546 *6 Cu 0.68905008408118 0.68905008408118 0.42939301359210 63.546 *7 Cu 0.93956777224039 0.93956777224039 0.59310550010328 63.546 8 Cu 0.06043222775961 0.06043222775961 0.40689449989672 63.546 9 Cu 0.31094991591882 0.31094991591882 0.57060698640790 63.546 10 Cu 0.41017250290462 0.41017250290462 0.36756081497857 63.546 *11 Rb 0.13777533850003 0.13777533850003 0.04543158445776 85.468 12 Rb 0.86222466149997 0.86222466149997 0.95456841554224 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.409813491199383 0.000000000000000 0.000000000000000 b 0.000000000000000 3.833306120000000 0.000000000000000 c -3.100882398561838 0.000000000000000 7.756810134520324 Atomic positions (fractional): *1 S 0.18965960403802 0.00000000000000 0.67439148564640 32.065 > 1 2 S 0.31034039596198 0.50000000000000 0.32560851435360 32.065 > 2 *3 S 0.47582116240385 0.00000000000000 0.75765138002125 32.065 > 3 4 S 0.02417883759615 0.50000000000000 0.24234861997875 32.065 > 4 5 S 0.68965960403802 0.50000000000000 0.67439148564640 32.065 > 1 6 S 0.81034039596198 0.00000000000000 0.32560851435360 32.065 > 2 7 S 0.97582116240385 0.50000000000000 0.75765138002125 32.065 > 3 8 S 0.52417883759615 0.00000000000000 0.24234861997875 32.065 > 4 *9 Cu 0.08982749709538 0.50000000000000 0.63243918502144 63.546 > 5 *10 Cu 0.18905008408118 0.50000000000000 0.42939301359210 63.546 > 6 *11 Cu 0.43956777224039 0.50000000000000 0.59310550010328 63.546 > 7 12 Cu 0.06043222775961 0.00000000000000 0.40689449989672 63.546 > 8 13 Cu 0.31094991591882 0.00000000000000 0.57060698640790 63.546 > 9 14 Cu 0.41017250290462 0.00000000000000 0.36756081497857 63.546 > 10 15 Cu 0.58982749709538 0.00000000000000 0.63243918502144 63.546 > 5 16 Cu 0.68905008408118 0.00000000000000 0.42939301359210 63.546 > 6 17 Cu 0.93956777224039 0.00000000000000 0.59310550010328 63.546 > 7 18 Cu 0.56043222775961 0.50000000000000 0.40689449989672 63.546 > 8 19 Cu 0.81094991591882 0.50000000000000 0.57060698640790 63.546 > 9 20 Cu 0.91017250290462 0.50000000000000 0.36756081497857 63.546 > 10 *21 Rb 0.13777533850003 0.00000000000000 0.04543158445776 85.468 > 11 22 Rb 0.36222466149997 0.50000000000000 0.95456841554224 85.468 > 12 23 Rb 0.63777533850003 0.50000000000000 0.04543158445776 85.468 > 11 24 Rb 0.86222466149997 0.00000000000000 0.95456841554224 85.468 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.409813491199383 0.000000000000000 0.000000000000000 b 0.000000000000000 11.499918360000001 0.000000000000000 c -6.201764797123676 0.000000000000000 15.513620269040649 Atomic positions (fractional): *1 S 0.18965960403802 0.00000000000000 0.33719574282320 32.065 > 1 2 S 0.18965960403802 0.33333333333333 0.33719574282320 32.065 > 1 3 S 0.18965960403802 0.66666666666667 0.33719574282320 32.065 > 1 4 S 0.18965960403802 0.00000000000000 0.83719574282320 32.065 > 1 5 S 0.18965960403802 0.33333333333333 0.83719574282320 32.065 > 1 6 S 0.18965960403802 0.66666666666667 0.83719574282320 32.065 > 1 7 S 0.31034039596198 0.16666666666667 0.16280425717680 32.065 > 2 8 S 0.31034039596198 0.50000000000000 0.16280425717680 32.065 > 2 9 S 0.31034039596198 0.83333333333333 0.16280425717680 32.065 > 2 10 S 0.31034039596198 0.16666666666667 0.66280425717680 32.065 > 2 11 S 0.31034039596198 0.50000000000000 0.66280425717680 32.065 > 2 12 S 0.31034039596198 0.83333333333333 0.66280425717680 32.065 > 2 *13 S 0.47582116240385 0.00000000000000 0.37882569001062 32.065 > 3 14 S 0.47582116240385 0.33333333333333 0.37882569001062 32.065 > 3 15 S 0.47582116240385 0.66666666666667 0.37882569001062 32.065 > 3 16 S 0.47582116240385 0.00000000000000 0.87882569001062 32.065 > 3 17 S 0.47582116240385 0.33333333333333 0.87882569001062 32.065 > 3 18 S 0.47582116240385 0.66666666666667 0.87882569001062 32.065 > 3 19 S 0.02417883759615 0.16666666666667 0.12117430998938 32.065 > 4 20 S 0.02417883759615 0.50000000000000 0.12117430998938 32.065 > 4 21 S 0.02417883759615 0.83333333333333 0.12117430998938 32.065 > 4 22 S 0.02417883759615 0.16666666666667 0.62117430998938 32.065 > 4 23 S 0.02417883759615 0.50000000000000 0.62117430998938 32.065 > 4 24 S 0.02417883759615 0.83333333333333 0.62117430998938 32.065 > 4 25 S 0.68965960403802 0.16666666666667 0.33719574282320 32.065 > 1 26 S 0.68965960403802 0.50000000000000 0.33719574282320 32.065 > 1 27 S 0.68965960403802 0.83333333333333 0.33719574282320 32.065 > 1 28 S 0.68965960403802 0.16666666666667 0.83719574282320 32.065 > 1 29 S 0.68965960403802 0.50000000000000 0.83719574282320 32.065 > 1 30 S 0.68965960403802 0.83333333333333 0.83719574282320 32.065 > 1 31 S 0.81034039596198 0.00000000000000 0.16280425717680 32.065 > 2 32 S 0.81034039596198 0.33333333333333 0.16280425717680 32.065 > 2 33 S 0.81034039596198 0.66666666666667 0.16280425717680 32.065 > 2 34 S 0.81034039596198 0.00000000000000 0.66280425717680 32.065 > 2 35 S 0.81034039596198 0.33333333333333 0.66280425717680 32.065 > 2 36 S 0.81034039596198 0.66666666666667 0.66280425717680 32.065 > 2 37 S 0.97582116240385 0.16666666666667 0.37882569001062 32.065 > 3 38 S 0.97582116240385 0.50000000000000 0.37882569001062 32.065 > 3 39 S 0.97582116240385 0.83333333333333 0.37882569001062 32.065 > 3 40 S 0.97582116240385 0.16666666666667 0.87882569001062 32.065 > 3 41 S 0.97582116240385 0.50000000000000 0.87882569001062 32.065 > 3 42 S 0.97582116240385 0.83333333333333 0.87882569001062 32.065 > 3 43 S 0.52417883759615 0.00000000000000 0.12117430998938 32.065 > 4 44 S 0.52417883759615 0.33333333333333 0.12117430998938 32.065 > 4 45 S 0.52417883759615 0.66666666666667 0.12117430998938 32.065 > 4 46 S 0.52417883759615 0.00000000000000 0.62117430998938 32.065 > 4 47 S 0.52417883759615 0.33333333333333 0.62117430998938 32.065 > 4 48 S 0.52417883759615 0.66666666666667 0.62117430998938 32.065 > 4 *49 Cu 0.08982749709538 0.16666666666667 0.31621959251072 63.546 > 5 50 Cu 0.08982749709538 0.50000000000000 0.31621959251072 63.546 > 5 51 Cu 0.08982749709538 0.83333333333333 0.31621959251072 63.546 > 5 52 Cu 0.08982749709538 0.16666666666667 0.81621959251072 63.546 > 5 53 Cu 0.08982749709538 0.50000000000000 0.81621959251072 63.546 > 5 54 Cu 0.08982749709538 0.83333333333333 0.81621959251072 63.546 > 5 *55 Cu 0.18905008408118 0.16666666666667 0.21469650679605 63.546 > 6 56 Cu 0.18905008408118 0.50000000000000 0.21469650679605 63.546 > 6 57 Cu 0.18905008408118 0.83333333333333 0.21469650679605 63.546 > 6 58 Cu 0.18905008408118 0.16666666666667 0.71469650679605 63.546 > 6 59 Cu 0.18905008408118 0.50000000000000 0.71469650679605 63.546 > 6 60 Cu 0.18905008408118 0.83333333333333 0.71469650679605 63.546 > 6 *61 Cu 0.43956777224039 0.16666666666667 0.29655275005164 63.546 > 7 62 Cu 0.43956777224039 0.50000000000000 0.29655275005164 63.546 > 7 63 Cu 0.43956777224039 0.83333333333333 0.29655275005164 63.546 > 7 64 Cu 0.43956777224039 0.16666666666667 0.79655275005164 63.546 > 7 65 Cu 0.43956777224039 0.50000000000000 0.79655275005164 63.546 > 7 66 Cu 0.43956777224039 0.83333333333333 0.79655275005164 63.546 > 7 67 Cu 0.06043222775961 0.00000000000000 0.20344724994836 63.546 > 8 68 Cu 0.06043222775961 0.33333333333333 0.20344724994836 63.546 > 8 69 Cu 0.06043222775961 0.66666666666667 0.20344724994836 63.546 > 8 70 Cu 0.06043222775961 0.00000000000000 0.70344724994836 63.546 > 8 71 Cu 0.06043222775961 0.33333333333333 0.70344724994836 63.546 > 8 72 Cu 0.06043222775961 0.66666666666667 0.70344724994836 63.546 > 8 73 Cu 0.31094991591882 0.00000000000000 0.28530349320395 63.546 > 9 74 Cu 0.31094991591882 0.33333333333333 0.28530349320395 63.546 > 9 75 Cu 0.31094991591882 0.66666666666667 0.28530349320395 63.546 > 9 76 Cu 0.31094991591882 0.00000000000000 0.78530349320395 63.546 > 9 77 Cu 0.31094991591882 0.33333333333333 0.78530349320395 63.546 > 9 78 Cu 0.31094991591882 0.66666666666667 0.78530349320395 63.546 > 9 79 Cu 0.41017250290462 0.00000000000000 0.18378040748928 63.546 > 10 80 Cu 0.41017250290462 0.33333333333333 0.18378040748928 63.546 > 10 81 Cu 0.41017250290462 0.66666666666667 0.18378040748928 63.546 > 10 82 Cu 0.41017250290462 0.00000000000000 0.68378040748928 63.546 > 10 83 Cu 0.41017250290462 0.33333333333333 0.68378040748928 63.546 > 10 84 Cu 0.41017250290462 0.66666666666667 0.68378040748928 63.546 > 10 85 Cu 0.58982749709538 0.00000000000000 0.31621959251072 63.546 > 5 86 Cu 0.58982749709538 0.33333333333333 0.31621959251072 63.546 > 5 87 Cu 0.58982749709538 0.66666666666667 0.31621959251072 63.546 > 5 88 Cu 0.58982749709538 0.00000000000000 0.81621959251072 63.546 > 5 89 Cu 0.58982749709538 0.33333333333333 0.81621959251072 63.546 > 5 90 Cu 0.58982749709538 0.66666666666667 0.81621959251072 63.546 > 5 91 Cu 0.68905008408118 0.00000000000000 0.21469650679605 63.546 > 6 92 Cu 0.68905008408118 0.33333333333333 0.21469650679605 63.546 > 6 93 Cu 0.68905008408118 0.66666666666667 0.21469650679605 63.546 > 6 94 Cu 0.68905008408118 0.00000000000000 0.71469650679605 63.546 > 6 95 Cu 0.68905008408118 0.33333333333333 0.71469650679605 63.546 > 6 96 Cu 0.68905008408118 0.66666666666667 0.71469650679605 63.546 > 6 97 Cu 0.93956777224039 0.00000000000000 0.29655275005164 63.546 > 7 98 Cu 0.93956777224039 0.33333333333333 0.29655275005164 63.546 > 7 99 Cu 0.93956777224039 0.66666666666667 0.29655275005164 63.546 > 7 100 Cu 0.93956777224039 0.00000000000000 0.79655275005164 63.546 > 7 101 Cu 0.93956777224039 0.33333333333333 0.79655275005164 63.546 > 7 102 Cu 0.93956777224039 0.66666666666667 0.79655275005164 63.546 > 7 103 Cu 0.56043222775961 0.16666666666667 0.20344724994836 63.546 > 8 104 Cu 0.56043222775961 0.50000000000000 0.20344724994836 63.546 > 8 105 Cu 0.56043222775961 0.83333333333333 0.20344724994836 63.546 > 8 106 Cu 0.56043222775961 0.16666666666667 0.70344724994836 63.546 > 8 107 Cu 0.56043222775961 0.50000000000000 0.70344724994836 63.546 > 8 108 Cu 0.56043222775961 0.83333333333333 0.70344724994836 63.546 > 8 109 Cu 0.81094991591882 0.16666666666667 0.28530349320395 63.546 > 9 110 Cu 0.81094991591882 0.50000000000000 0.28530349320395 63.546 > 9 111 Cu 0.81094991591882 0.83333333333333 0.28530349320395 63.546 > 9 112 Cu 0.81094991591882 0.16666666666667 0.78530349320395 63.546 > 9 113 Cu 0.81094991591882 0.50000000000000 0.78530349320395 63.546 > 9 114 Cu 0.81094991591882 0.83333333333333 0.78530349320395 63.546 > 9 115 Cu 0.91017250290462 0.16666666666667 0.18378040748928 63.546 > 10 116 Cu 0.91017250290462 0.50000000000000 0.18378040748928 63.546 > 10 117 Cu 0.91017250290462 0.83333333333333 0.18378040748928 63.546 > 10 118 Cu 0.91017250290462 0.16666666666667 0.68378040748928 63.546 > 10 119 Cu 0.91017250290462 0.50000000000000 0.68378040748928 63.546 > 10 120 Cu 0.91017250290462 0.83333333333333 0.68378040748928 63.546 > 10 *121 Rb 0.13777533850003 0.00000000000000 0.02271579222888 85.468 > 11 122 Rb 0.13777533850003 0.33333333333333 0.02271579222888 85.468 > 11 123 Rb 0.13777533850003 0.66666666666667 0.02271579222888 85.468 > 11 124 Rb 0.13777533850003 0.00000000000000 0.52271579222888 85.468 > 11 125 Rb 0.13777533850003 0.33333333333333 0.52271579222888 85.468 > 11 126 Rb 0.13777533850003 0.66666666666667 0.52271579222888 85.468 > 11 127 Rb 0.36222466149997 0.16666666666667 0.47728420777112 85.468 > 12 128 Rb 0.36222466149997 0.50000000000000 0.47728420777112 85.468 > 12 129 Rb 0.36222466149997 0.83333333333333 0.47728420777112 85.468 > 12 130 Rb 0.36222466149997 0.16666666666667 0.97728420777112 85.468 > 12 131 Rb 0.36222466149997 0.50000000000000 0.97728420777112 85.468 > 12 132 Rb 0.36222466149997 0.83333333333333 0.97728420777112 85.468 > 12 133 Rb 0.63777533850003 0.16666666666667 0.02271579222888 85.468 > 11 134 Rb 0.63777533850003 0.50000000000000 0.02271579222888 85.468 > 11 135 Rb 0.63777533850003 0.83333333333333 0.02271579222888 85.468 > 11 136 Rb 0.63777533850003 0.16666666666667 0.52271579222888 85.468 > 11 137 Rb 0.63777533850003 0.50000000000000 0.52271579222888 85.468 > 11 138 Rb 0.63777533850003 0.83333333333333 0.52271579222888 85.468 > 11 139 Rb 0.86222466149997 0.00000000000000 0.47728420777112 85.468 > 12 140 Rb 0.86222466149997 0.33333333333333 0.47728420777112 85.468 > 12 141 Rb 0.86222466149997 0.66666666666667 0.47728420777112 85.468 > 12 142 Rb 0.86222466149997 0.00000000000000 0.97728420777112 85.468 > 12 143 Rb 0.86222466149997 0.33333333333333 0.97728420777112 85.468 > 12 144 Rb 0.86222466149997 0.66666666666667 0.97728420777112 85.468 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0228721 0.0000000 0.0413810 0.0000000 14.9102622 0.0000000 0.0413702 0.0000000 6.2901389 -------------------------- Born effective charges -------------------------- 1 S -1.6021386 0.0000000 0.0007265 0.0000000 -3.5152999 0.0000000 -0.1297879 0.0000000 -1.4592675 2 S -1.6021386 0.0000000 0.0007265 0.0000000 -3.5152999 0.0000000 -0.1297879 0.0000000 -1.4592675 3 S -1.7309492 0.0000000 0.0713630 0.0000000 -2.1268745 0.0000000 0.0781173 0.0000000 -1.6606587 4 S -1.7309492 0.0000000 0.0713630 0.0000000 -2.1268745 0.0000000 0.0781173 0.0000000 -1.6606587 5 Cu 0.7417661 0.0000000 -0.2579326 0.0000000 1.6860399 0.0000000 -0.2251415 0.0000000 0.1080564 6 Cu 0.8815510 0.0000000 -0.2739514 0.0000000 1.1225230 0.0000000 0.0401645 0.0000000 0.4301359 7 Cu 0.5858247 0.0000000 0.4234434 0.0000000 1.6632491 0.0000000 0.2093722 0.0000000 0.3826164 8 Cu 0.5858247 0.0000000 0.4234434 0.0000000 1.6632491 0.0000000 0.2093722 0.0000000 0.3826164 9 Cu 0.8815510 0.0000000 -0.2739514 0.0000000 1.1225230 0.0000000 0.0401645 0.0000000 0.4301359 10 Cu 0.7417661 0.0000000 -0.2579326 0.0000000 1.6860399 0.0000000 -0.2251415 0.0000000 0.1080564 11 Rb 1.1239459 0.0000000 0.0363511 0.0000000 1.1703623 0.0000000 0.0272754 0.0000000 2.1991175 12 Rb 1.1239459 0.0000000 0.0363511 0.0000000 1.1703623 0.0000000 0.0272754 0.0000000 2.1991175 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2160 Number of blocks in projector: 2160 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) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.833 Solver_block: 200 / 400 - Time: 0.804 Solver_block: 300 / 400 - Time: 0.780 Solver_block: 400 / 400 - Time: 0.782 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.288 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2160 Number of blocks in projector: 2160 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) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:49:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:49:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.204906745599692 -1.916653060000000 0.000000000000000 b 7.204906745599692 1.916653060000000 0.000000000000000 c -3.100882398561838 0.000000000000000 7.756810134520324 Atomic positions (fractional): 1 S 0.18965960403802 0.18965960403802 0.67439148564640 32.065 2 S 0.81034039596198 0.81034039596198 0.32560851435360 32.065 3 S 0.47582116240385 0.47582116240385 0.75765138002125 32.065 4 S 0.52417883759615 0.52417883759615 0.24234861997875 32.065 5 Cu 0.58982749709538 0.58982749709538 0.63243918502144 63.546 6 Cu 0.68905008408118 0.68905008408118 0.42939301359210 63.546 7 Cu 0.93956777224039 0.93956777224039 0.59310550010328 63.546 8 Cu 0.06043222775961 0.06043222775961 0.40689449989672 63.546 9 Cu 0.31094991591882 0.31094991591882 0.57060698640790 63.546 10 Cu 0.41017250290462 0.41017250290462 0.36756081497857 63.546 11 Rb 0.13777533850003 0.13777533850003 0.04543158445776 85.468 12 Rb 0.86222466149997 0.86222466149997 0.95456841554224 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.409813491199383 0.000000000000000 0.000000000000000 b 0.000000000000000 11.499918360000001 0.000000000000000 c -6.201764797123676 0.000000000000000 15.513620269040649 Atomic positions (fractional): 1 S 0.18965960403802 0.00000000000000 0.33719574282320 32.065 > 1 2 S 0.18965960403802 0.33333333333333 0.33719574282320 32.065 > 1 3 S 0.18965960403802 0.66666666666667 0.33719574282320 32.065 > 1 4 S 0.18965960403802 0.00000000000000 0.83719574282320 32.065 > 1 5 S 0.18965960403802 0.33333333333333 0.83719574282320 32.065 > 1 6 S 0.18965960403802 0.66666666666667 0.83719574282320 32.065 > 1 7 S 0.31034039596198 0.16666666666667 0.16280425717680 32.065 > 7 8 S 0.31034039596198 0.50000000000000 0.16280425717680 32.065 > 7 9 S 0.31034039596198 0.83333333333333 0.16280425717680 32.065 > 7 10 S 0.31034039596198 0.16666666666667 0.66280425717680 32.065 > 7 11 S 0.31034039596198 0.50000000000000 0.66280425717680 32.065 > 7 12 S 0.31034039596198 0.83333333333333 0.66280425717680 32.065 > 7 13 S 0.47582116240385 0.00000000000000 0.37882569001062 32.065 > 13 14 S 0.47582116240385 0.33333333333333 0.37882569001062 32.065 > 13 15 S 0.47582116240385 0.66666666666667 0.37882569001062 32.065 > 13 16 S 0.47582116240385 0.00000000000000 0.87882569001062 32.065 > 13 17 S 0.47582116240385 0.33333333333333 0.87882569001062 32.065 > 13 18 S 0.47582116240385 0.66666666666667 0.87882569001062 32.065 > 13 19 S 0.02417883759615 0.16666666666667 0.12117430998938 32.065 > 19 20 S 0.02417883759615 0.50000000000000 0.12117430998938 32.065 > 19 21 S 0.02417883759615 0.83333333333333 0.12117430998938 32.065 > 19 22 S 0.02417883759615 0.16666666666667 0.62117430998938 32.065 > 19 23 S 0.02417883759615 0.50000000000000 0.62117430998938 32.065 > 19 24 S 0.02417883759615 0.83333333333333 0.62117430998938 32.065 > 19 25 S 0.68965960403802 0.16666666666667 0.33719574282320 32.065 > 1 26 S 0.68965960403802 0.50000000000000 0.33719574282320 32.065 > 1 27 S 0.68965960403802 0.83333333333333 0.33719574282320 32.065 > 1 28 S 0.68965960403802 0.16666666666667 0.83719574282320 32.065 > 1 29 S 0.68965960403802 0.50000000000000 0.83719574282320 32.065 > 1 30 S 0.68965960403802 0.83333333333333 0.83719574282320 32.065 > 1 31 S 0.81034039596198 0.00000000000000 0.16280425717680 32.065 > 7 32 S 0.81034039596198 0.33333333333333 0.16280425717680 32.065 > 7 33 S 0.81034039596198 0.66666666666667 0.16280425717680 32.065 > 7 34 S 0.81034039596198 0.00000000000000 0.66280425717680 32.065 > 7 35 S 0.81034039596198 0.33333333333333 0.66280425717680 32.065 > 7 36 S 0.81034039596198 0.66666666666667 0.66280425717680 32.065 > 7 37 S 0.97582116240385 0.16666666666667 0.37882569001062 32.065 > 13 38 S 0.97582116240385 0.50000000000000 0.37882569001062 32.065 > 13 39 S 0.97582116240385 0.83333333333333 0.37882569001062 32.065 > 13 40 S 0.97582116240385 0.16666666666667 0.87882569001062 32.065 > 13 41 S 0.97582116240385 0.50000000000000 0.87882569001062 32.065 > 13 42 S 0.97582116240385 0.83333333333333 0.87882569001062 32.065 > 13 43 S 0.52417883759615 0.00000000000000 0.12117430998938 32.065 > 19 44 S 0.52417883759615 0.33333333333333 0.12117430998938 32.065 > 19 45 S 0.52417883759615 0.66666666666667 0.12117430998938 32.065 > 19 46 S 0.52417883759615 0.00000000000000 0.62117430998938 32.065 > 19 47 S 0.52417883759615 0.33333333333333 0.62117430998938 32.065 > 19 48 S 0.52417883759615 0.66666666666667 0.62117430998938 32.065 > 19 49 Cu 0.08982749709538 0.16666666666667 0.31621959251072 63.546 > 49 50 Cu 0.08982749709538 0.50000000000000 0.31621959251072 63.546 > 49 51 Cu 0.08982749709538 0.83333333333333 0.31621959251072 63.546 > 49 52 Cu 0.08982749709538 0.16666666666667 0.81621959251072 63.546 > 49 53 Cu 0.08982749709538 0.50000000000000 0.81621959251072 63.546 > 49 54 Cu 0.08982749709538 0.83333333333333 0.81621959251072 63.546 > 49 55 Cu 0.18905008408118 0.16666666666667 0.21469650679605 63.546 > 55 56 Cu 0.18905008408118 0.50000000000000 0.21469650679605 63.546 > 55 57 Cu 0.18905008408118 0.83333333333333 0.21469650679605 63.546 > 55 58 Cu 0.18905008408118 0.16666666666667 0.71469650679605 63.546 > 55 59 Cu 0.18905008408118 0.50000000000000 0.71469650679605 63.546 > 55 60 Cu 0.18905008408118 0.83333333333333 0.71469650679605 63.546 > 55 61 Cu 0.43956777224039 0.16666666666667 0.29655275005164 63.546 > 61 62 Cu 0.43956777224039 0.50000000000000 0.29655275005164 63.546 > 61 63 Cu 0.43956777224039 0.83333333333333 0.29655275005164 63.546 > 61 64 Cu 0.43956777224039 0.16666666666667 0.79655275005164 63.546 > 61 65 Cu 0.43956777224039 0.50000000000000 0.79655275005164 63.546 > 61 66 Cu 0.43956777224039 0.83333333333333 0.79655275005164 63.546 > 61 67 Cu 0.06043222775961 0.00000000000000 0.20344724994836 63.546 > 67 68 Cu 0.06043222775961 0.33333333333333 0.20344724994836 63.546 > 67 69 Cu 0.06043222775961 0.66666666666667 0.20344724994836 63.546 > 67 70 Cu 0.06043222775961 0.00000000000000 0.70344724994836 63.546 > 67 71 Cu 0.06043222775961 0.33333333333333 0.70344724994836 63.546 > 67 72 Cu 0.06043222775961 0.66666666666667 0.70344724994836 63.546 > 67 73 Cu 0.31094991591882 0.00000000000000 0.28530349320395 63.546 > 73 74 Cu 0.31094991591882 0.33333333333333 0.28530349320395 63.546 > 73 75 Cu 0.31094991591882 0.66666666666667 0.28530349320395 63.546 > 73 76 Cu 0.31094991591882 0.00000000000000 0.78530349320395 63.546 > 73 77 Cu 0.31094991591882 0.33333333333333 0.78530349320395 63.546 > 73 78 Cu 0.31094991591882 0.66666666666667 0.78530349320395 63.546 > 73 79 Cu 0.41017250290462 0.00000000000000 0.18378040748928 63.546 > 79 80 Cu 0.41017250290462 0.33333333333333 0.18378040748928 63.546 > 79 81 Cu 0.41017250290462 0.66666666666667 0.18378040748928 63.546 > 79 82 Cu 0.41017250290462 0.00000000000000 0.68378040748928 63.546 > 79 83 Cu 0.41017250290462 0.33333333333333 0.68378040748928 63.546 > 79 84 Cu 0.41017250290462 0.66666666666667 0.68378040748928 63.546 > 79 85 Cu 0.58982749709538 0.00000000000000 0.31621959251072 63.546 > 49 86 Cu 0.58982749709538 0.33333333333333 0.31621959251072 63.546 > 49 87 Cu 0.58982749709538 0.66666666666667 0.31621959251072 63.546 > 49 88 Cu 0.58982749709538 0.00000000000000 0.81621959251072 63.546 > 49 89 Cu 0.58982749709538 0.33333333333333 0.81621959251072 63.546 > 49 90 Cu 0.58982749709538 0.66666666666667 0.81621959251072 63.546 > 49 91 Cu 0.68905008408118 0.00000000000000 0.21469650679605 63.546 > 55 92 Cu 0.68905008408118 0.33333333333333 0.21469650679605 63.546 > 55 93 Cu 0.68905008408118 0.66666666666667 0.21469650679605 63.546 > 55 94 Cu 0.68905008408118 0.00000000000000 0.71469650679605 63.546 > 55 95 Cu 0.68905008408118 0.33333333333333 0.71469650679605 63.546 > 55 96 Cu 0.68905008408118 0.66666666666667 0.71469650679605 63.546 > 55 97 Cu 0.93956777224039 0.00000000000000 0.29655275005164 63.546 > 61 98 Cu 0.93956777224039 0.33333333333333 0.29655275005164 63.546 > 61 99 Cu 0.93956777224039 0.66666666666667 0.29655275005164 63.546 > 61 100 Cu 0.93956777224039 0.00000000000000 0.79655275005164 63.546 > 61 101 Cu 0.93956777224039 0.33333333333333 0.79655275005164 63.546 > 61 102 Cu 0.93956777224039 0.66666666666667 0.79655275005164 63.546 > 61 103 Cu 0.56043222775961 0.16666666666667 0.20344724994836 63.546 > 67 104 Cu 0.56043222775961 0.50000000000000 0.20344724994836 63.546 > 67 105 Cu 0.56043222775961 0.83333333333333 0.20344724994836 63.546 > 67 106 Cu 0.56043222775961 0.16666666666667 0.70344724994836 63.546 > 67 107 Cu 0.56043222775961 0.50000000000000 0.70344724994836 63.546 > 67 108 Cu 0.56043222775961 0.83333333333333 0.70344724994836 63.546 > 67 109 Cu 0.81094991591882 0.16666666666667 0.28530349320395 63.546 > 73 110 Cu 0.81094991591882 0.50000000000000 0.28530349320395 63.546 > 73 111 Cu 0.81094991591882 0.83333333333333 0.28530349320395 63.546 > 73 112 Cu 0.81094991591882 0.16666666666667 0.78530349320395 63.546 > 73 113 Cu 0.81094991591882 0.50000000000000 0.78530349320395 63.546 > 73 114 Cu 0.81094991591882 0.83333333333333 0.78530349320395 63.546 > 73 115 Cu 0.91017250290462 0.16666666666667 0.18378040748928 63.546 > 79 116 Cu 0.91017250290462 0.50000000000000 0.18378040748928 63.546 > 79 117 Cu 0.91017250290462 0.83333333333333 0.18378040748928 63.546 > 79 118 Cu 0.91017250290462 0.16666666666667 0.68378040748928 63.546 > 79 119 Cu 0.91017250290462 0.50000000000000 0.68378040748928 63.546 > 79 120 Cu 0.91017250290462 0.83333333333333 0.68378040748928 63.546 > 79 121 Rb 0.13777533850003 0.00000000000000 0.02271579222888 85.468 > 121 122 Rb 0.13777533850003 0.33333333333333 0.02271579222888 85.468 > 121 123 Rb 0.13777533850003 0.66666666666667 0.02271579222888 85.468 > 121 124 Rb 0.13777533850003 0.00000000000000 0.52271579222888 85.468 > 121 125 Rb 0.13777533850003 0.33333333333333 0.52271579222888 85.468 > 121 126 Rb 0.13777533850003 0.66666666666667 0.52271579222888 85.468 > 121 127 Rb 0.36222466149997 0.16666666666667 0.47728420777112 85.468 > 127 128 Rb 0.36222466149997 0.50000000000000 0.47728420777112 85.468 > 127 129 Rb 0.36222466149997 0.83333333333333 0.47728420777112 85.468 > 127 130 Rb 0.36222466149997 0.16666666666667 0.97728420777112 85.468 > 127 131 Rb 0.36222466149997 0.50000000000000 0.97728420777112 85.468 > 127 132 Rb 0.36222466149997 0.83333333333333 0.97728420777112 85.468 > 127 133 Rb 0.63777533850003 0.16666666666667 0.02271579222888 85.468 > 121 134 Rb 0.63777533850003 0.50000000000000 0.02271579222888 85.468 > 121 135 Rb 0.63777533850003 0.83333333333333 0.02271579222888 85.468 > 121 136 Rb 0.63777533850003 0.16666666666667 0.52271579222888 85.468 > 121 137 Rb 0.63777533850003 0.50000000000000 0.52271579222888 85.468 > 121 138 Rb 0.63777533850003 0.83333333333333 0.52271579222888 85.468 > 121 139 Rb 0.86222466149997 0.00000000000000 0.47728420777112 85.468 > 127 140 Rb 0.86222466149997 0.33333333333333 0.47728420777112 85.468 > 127 141 Rb 0.86222466149997 0.66666666666667 0.47728420777112 85.468 > 127 142 Rb 0.86222466149997 0.00000000000000 0.97728420777112 85.468 > 127 143 Rb 0.86222466149997 0.33333333333333 0.97728420777112 85.468 > 127 144 Rb 0.86222466149997 0.66666666666667 0.97728420777112 85.468 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0228721 0.0000000 0.0413810 0.0000000 14.9102622 0.0000000 0.0413702 0.0000000 6.2901389 -------------------------- Born effective charges -------------------------- 1 S -1.6021386 0.0000000 0.0007265 0.0000000 -3.5152999 0.0000000 -0.1297879 0.0000000 -1.4592675 2 S -1.6021386 0.0000000 0.0007265 0.0000000 -3.5152999 0.0000000 -0.1297879 0.0000000 -1.4592675 3 S -1.7309492 0.0000000 0.0713630 0.0000000 -2.1268745 0.0000000 0.0781173 0.0000000 -1.6606587 4 S -1.7309492 0.0000000 0.0713630 0.0000000 -2.1268745 0.0000000 0.0781173 0.0000000 -1.6606587 5 Cu 0.7417661 0.0000000 -0.2579326 0.0000000 1.6860399 0.0000000 -0.2251415 0.0000000 0.1080564 6 Cu 0.8815510 0.0000000 -0.2739514 0.0000000 1.1225230 0.0000000 0.0401645 0.0000000 0.4301359 7 Cu 0.5858247 0.0000000 0.4234434 0.0000000 1.6632491 0.0000000 0.2093722 0.0000000 0.3826164 8 Cu 0.5858247 0.0000000 0.4234434 0.0000000 1.6632491 0.0000000 0.2093722 0.0000000 0.3826164 9 Cu 0.8815510 0.0000000 -0.2739514 0.0000000 1.1225230 0.0000000 0.0401645 0.0000000 0.4301359 10 Cu 0.7417661 0.0000000 -0.2579326 0.0000000 1.6860399 0.0000000 -0.2251415 0.0000000 0.1080564 11 Rb 1.1239459 0.0000000 0.0363511 0.0000000 1.1703623 0.0000000 0.0272754 0.0000000 2.1991175 12 Rb 1.1239459 0.0000000 0.0363511 0.0000000 1.1703623 0.0000000 0.0272754 0.0000000 2.1991175 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 61, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 121, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:50:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:50:14]------------------------- 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): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.204906745599692 -1.916653060000000 0.000000000000000 b 7.204906745599692 1.916653060000000 0.000000000000000 c -3.100882398561838 0.000000000000000 7.756810134520324 Atomic positions (fractional): 1 S 0.18965960403802 0.18965960403802 0.67439148564640 32.065 2 S 0.81034039596198 0.81034039596198 0.32560851435360 32.065 3 S 0.47582116240385 0.47582116240385 0.75765138002125 32.065 4 S 0.52417883759615 0.52417883759615 0.24234861997875 32.065 5 Cu 0.58982749709538 0.58982749709538 0.63243918502144 63.546 6 Cu 0.68905008408118 0.68905008408118 0.42939301359210 63.546 7 Cu 0.93956777224039 0.93956777224039 0.59310550010328 63.546 8 Cu 0.06043222775961 0.06043222775961 0.40689449989672 63.546 9 Cu 0.31094991591882 0.31094991591882 0.57060698640790 63.546 10 Cu 0.41017250290462 0.41017250290462 0.36756081497857 63.546 11 Rb 0.13777533850003 0.13777533850003 0.04543158445776 85.468 12 Rb 0.86222466149997 0.86222466149997 0.95456841554224 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.409813491199383 0.000000000000000 0.000000000000000 b 0.000000000000000 11.499918360000001 0.000000000000000 c -6.201764797123676 0.000000000000000 15.513620269040649 Atomic positions (fractional): 1 S 0.18965960403802 0.00000000000000 0.33719574282320 32.065 > 1 2 S 0.18965960403802 0.33333333333333 0.33719574282320 32.065 > 1 3 S 0.18965960403802 0.66666666666667 0.33719574282320 32.065 > 1 4 S 0.18965960403802 0.00000000000000 0.83719574282320 32.065 > 1 5 S 0.18965960403802 0.33333333333333 0.83719574282320 32.065 > 1 6 S 0.18965960403802 0.66666666666667 0.83719574282320 32.065 > 1 7 S 0.31034039596198 0.16666666666667 0.16280425717680 32.065 > 7 8 S 0.31034039596198 0.50000000000000 0.16280425717680 32.065 > 7 9 S 0.31034039596198 0.83333333333333 0.16280425717680 32.065 > 7 10 S 0.31034039596198 0.16666666666667 0.66280425717680 32.065 > 7 11 S 0.31034039596198 0.50000000000000 0.66280425717680 32.065 > 7 12 S 0.31034039596198 0.83333333333333 0.66280425717680 32.065 > 7 13 S 0.47582116240385 0.00000000000000 0.37882569001062 32.065 > 13 14 S 0.47582116240385 0.33333333333333 0.37882569001062 32.065 > 13 15 S 0.47582116240385 0.66666666666667 0.37882569001062 32.065 > 13 16 S 0.47582116240385 0.00000000000000 0.87882569001062 32.065 > 13 17 S 0.47582116240385 0.33333333333333 0.87882569001062 32.065 > 13 18 S 0.47582116240385 0.66666666666667 0.87882569001062 32.065 > 13 19 S 0.02417883759615 0.16666666666667 0.12117430998938 32.065 > 19 20 S 0.02417883759615 0.50000000000000 0.12117430998938 32.065 > 19 21 S 0.02417883759615 0.83333333333333 0.12117430998938 32.065 > 19 22 S 0.02417883759615 0.16666666666667 0.62117430998938 32.065 > 19 23 S 0.02417883759615 0.50000000000000 0.62117430998938 32.065 > 19 24 S 0.02417883759615 0.83333333333333 0.62117430998938 32.065 > 19 25 S 0.68965960403802 0.16666666666667 0.33719574282320 32.065 > 1 26 S 0.68965960403802 0.50000000000000 0.33719574282320 32.065 > 1 27 S 0.68965960403802 0.83333333333333 0.33719574282320 32.065 > 1 28 S 0.68965960403802 0.16666666666667 0.83719574282320 32.065 > 1 29 S 0.68965960403802 0.50000000000000 0.83719574282320 32.065 > 1 30 S 0.68965960403802 0.83333333333333 0.83719574282320 32.065 > 1 31 S 0.81034039596198 0.00000000000000 0.16280425717680 32.065 > 7 32 S 0.81034039596198 0.33333333333333 0.16280425717680 32.065 > 7 33 S 0.81034039596198 0.66666666666667 0.16280425717680 32.065 > 7 34 S 0.81034039596198 0.00000000000000 0.66280425717680 32.065 > 7 35 S 0.81034039596198 0.33333333333333 0.66280425717680 32.065 > 7 36 S 0.81034039596198 0.66666666666667 0.66280425717680 32.065 > 7 37 S 0.97582116240385 0.16666666666667 0.37882569001062 32.065 > 13 38 S 0.97582116240385 0.50000000000000 0.37882569001062 32.065 > 13 39 S 0.97582116240385 0.83333333333333 0.37882569001062 32.065 > 13 40 S 0.97582116240385 0.16666666666667 0.87882569001062 32.065 > 13 41 S 0.97582116240385 0.50000000000000 0.87882569001062 32.065 > 13 42 S 0.97582116240385 0.83333333333333 0.87882569001062 32.065 > 13 43 S 0.52417883759615 0.00000000000000 0.12117430998938 32.065 > 19 44 S 0.52417883759615 0.33333333333333 0.12117430998938 32.065 > 19 45 S 0.52417883759615 0.66666666666667 0.12117430998938 32.065 > 19 46 S 0.52417883759615 0.00000000000000 0.62117430998938 32.065 > 19 47 S 0.52417883759615 0.33333333333333 0.62117430998938 32.065 > 19 48 S 0.52417883759615 0.66666666666667 0.62117430998938 32.065 > 19 49 Cu 0.08982749709538 0.16666666666667 0.31621959251072 63.546 > 49 50 Cu 0.08982749709538 0.50000000000000 0.31621959251072 63.546 > 49 51 Cu 0.08982749709538 0.83333333333333 0.31621959251072 63.546 > 49 52 Cu 0.08982749709538 0.16666666666667 0.81621959251072 63.546 > 49 53 Cu 0.08982749709538 0.50000000000000 0.81621959251072 63.546 > 49 54 Cu 0.08982749709538 0.83333333333333 0.81621959251072 63.546 > 49 55 Cu 0.18905008408118 0.16666666666667 0.21469650679605 63.546 > 55 56 Cu 0.18905008408118 0.50000000000000 0.21469650679605 63.546 > 55 57 Cu 0.18905008408118 0.83333333333333 0.21469650679605 63.546 > 55 58 Cu 0.18905008408118 0.16666666666667 0.71469650679605 63.546 > 55 59 Cu 0.18905008408118 0.50000000000000 0.71469650679605 63.546 > 55 60 Cu 0.18905008408118 0.83333333333333 0.71469650679605 63.546 > 55 61 Cu 0.43956777224039 0.16666666666667 0.29655275005164 63.546 > 61 62 Cu 0.43956777224039 0.50000000000000 0.29655275005164 63.546 > 61 63 Cu 0.43956777224039 0.83333333333333 0.29655275005164 63.546 > 61 64 Cu 0.43956777224039 0.16666666666667 0.79655275005164 63.546 > 61 65 Cu 0.43956777224039 0.50000000000000 0.79655275005164 63.546 > 61 66 Cu 0.43956777224039 0.83333333333333 0.79655275005164 63.546 > 61 67 Cu 0.06043222775961 0.00000000000000 0.20344724994836 63.546 > 67 68 Cu 0.06043222775961 0.33333333333333 0.20344724994836 63.546 > 67 69 Cu 0.06043222775961 0.66666666666667 0.20344724994836 63.546 > 67 70 Cu 0.06043222775961 0.00000000000000 0.70344724994836 63.546 > 67 71 Cu 0.06043222775961 0.33333333333333 0.70344724994836 63.546 > 67 72 Cu 0.06043222775961 0.66666666666667 0.70344724994836 63.546 > 67 73 Cu 0.31094991591882 0.00000000000000 0.28530349320395 63.546 > 73 74 Cu 0.31094991591882 0.33333333333333 0.28530349320395 63.546 > 73 75 Cu 0.31094991591882 0.66666666666667 0.28530349320395 63.546 > 73 76 Cu 0.31094991591882 0.00000000000000 0.78530349320395 63.546 > 73 77 Cu 0.31094991591882 0.33333333333333 0.78530349320395 63.546 > 73 78 Cu 0.31094991591882 0.66666666666667 0.78530349320395 63.546 > 73 79 Cu 0.41017250290462 0.00000000000000 0.18378040748928 63.546 > 79 80 Cu 0.41017250290462 0.33333333333333 0.18378040748928 63.546 > 79 81 Cu 0.41017250290462 0.66666666666667 0.18378040748928 63.546 > 79 82 Cu 0.41017250290462 0.00000000000000 0.68378040748928 63.546 > 79 83 Cu 0.41017250290462 0.33333333333333 0.68378040748928 63.546 > 79 84 Cu 0.41017250290462 0.66666666666667 0.68378040748928 63.546 > 79 85 Cu 0.58982749709538 0.00000000000000 0.31621959251072 63.546 > 49 86 Cu 0.58982749709538 0.33333333333333 0.31621959251072 63.546 > 49 87 Cu 0.58982749709538 0.66666666666667 0.31621959251072 63.546 > 49 88 Cu 0.58982749709538 0.00000000000000 0.81621959251072 63.546 > 49 89 Cu 0.58982749709538 0.33333333333333 0.81621959251072 63.546 > 49 90 Cu 0.58982749709538 0.66666666666667 0.81621959251072 63.546 > 49 91 Cu 0.68905008408118 0.00000000000000 0.21469650679605 63.546 > 55 92 Cu 0.68905008408118 0.33333333333333 0.21469650679605 63.546 > 55 93 Cu 0.68905008408118 0.66666666666667 0.21469650679605 63.546 > 55 94 Cu 0.68905008408118 0.00000000000000 0.71469650679605 63.546 > 55 95 Cu 0.68905008408118 0.33333333333333 0.71469650679605 63.546 > 55 96 Cu 0.68905008408118 0.66666666666667 0.71469650679605 63.546 > 55 97 Cu 0.93956777224039 0.00000000000000 0.29655275005164 63.546 > 61 98 Cu 0.93956777224039 0.33333333333333 0.29655275005164 63.546 > 61 99 Cu 0.93956777224039 0.66666666666667 0.29655275005164 63.546 > 61 100 Cu 0.93956777224039 0.00000000000000 0.79655275005164 63.546 > 61 101 Cu 0.93956777224039 0.33333333333333 0.79655275005164 63.546 > 61 102 Cu 0.93956777224039 0.66666666666667 0.79655275005164 63.546 > 61 103 Cu 0.56043222775961 0.16666666666667 0.20344724994836 63.546 > 67 104 Cu 0.56043222775961 0.50000000000000 0.20344724994836 63.546 > 67 105 Cu 0.56043222775961 0.83333333333333 0.20344724994836 63.546 > 67 106 Cu 0.56043222775961 0.16666666666667 0.70344724994836 63.546 > 67 107 Cu 0.56043222775961 0.50000000000000 0.70344724994836 63.546 > 67 108 Cu 0.56043222775961 0.83333333333333 0.70344724994836 63.546 > 67 109 Cu 0.81094991591882 0.16666666666667 0.28530349320395 63.546 > 73 110 Cu 0.81094991591882 0.50000000000000 0.28530349320395 63.546 > 73 111 Cu 0.81094991591882 0.83333333333333 0.28530349320395 63.546 > 73 112 Cu 0.81094991591882 0.16666666666667 0.78530349320395 63.546 > 73 113 Cu 0.81094991591882 0.50000000000000 0.78530349320395 63.546 > 73 114 Cu 0.81094991591882 0.83333333333333 0.78530349320395 63.546 > 73 115 Cu 0.91017250290462 0.16666666666667 0.18378040748928 63.546 > 79 116 Cu 0.91017250290462 0.50000000000000 0.18378040748928 63.546 > 79 117 Cu 0.91017250290462 0.83333333333333 0.18378040748928 63.546 > 79 118 Cu 0.91017250290462 0.16666666666667 0.68378040748928 63.546 > 79 119 Cu 0.91017250290462 0.50000000000000 0.68378040748928 63.546 > 79 120 Cu 0.91017250290462 0.83333333333333 0.68378040748928 63.546 > 79 121 Rb 0.13777533850003 0.00000000000000 0.02271579222888 85.468 > 121 122 Rb 0.13777533850003 0.33333333333333 0.02271579222888 85.468 > 121 123 Rb 0.13777533850003 0.66666666666667 0.02271579222888 85.468 > 121 124 Rb 0.13777533850003 0.00000000000000 0.52271579222888 85.468 > 121 125 Rb 0.13777533850003 0.33333333333333 0.52271579222888 85.468 > 121 126 Rb 0.13777533850003 0.66666666666667 0.52271579222888 85.468 > 121 127 Rb 0.36222466149997 0.16666666666667 0.47728420777112 85.468 > 127 128 Rb 0.36222466149997 0.50000000000000 0.47728420777112 85.468 > 127 129 Rb 0.36222466149997 0.83333333333333 0.47728420777112 85.468 > 127 130 Rb 0.36222466149997 0.16666666666667 0.97728420777112 85.468 > 127 131 Rb 0.36222466149997 0.50000000000000 0.97728420777112 85.468 > 127 132 Rb 0.36222466149997 0.83333333333333 0.97728420777112 85.468 > 127 133 Rb 0.63777533850003 0.16666666666667 0.02271579222888 85.468 > 121 134 Rb 0.63777533850003 0.50000000000000 0.02271579222888 85.468 > 121 135 Rb 0.63777533850003 0.83333333333333 0.02271579222888 85.468 > 121 136 Rb 0.63777533850003 0.16666666666667 0.52271579222888 85.468 > 121 137 Rb 0.63777533850003 0.50000000000000 0.52271579222888 85.468 > 121 138 Rb 0.63777533850003 0.83333333333333 0.52271579222888 85.468 > 121 139 Rb 0.86222466149997 0.00000000000000 0.47728420777112 85.468 > 127 140 Rb 0.86222466149997 0.33333333333333 0.47728420777112 85.468 > 127 141 Rb 0.86222466149997 0.66666666666667 0.47728420777112 85.468 > 127 142 Rb 0.86222466149997 0.00000000000000 0.97728420777112 85.468 > 127 143 Rb 0.86222466149997 0.33333333333333 0.97728420777112 85.468 > 127 144 Rb 0.86222466149997 0.66666666666667 0.97728420777112 85.468 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.0228721 0.0000000 0.0413810 0.0000000 14.9102622 0.0000000 0.0413702 0.0000000 6.2901389 -------------------------- Born effective charges -------------------------- 1 S -1.6021386 0.0000000 0.0007265 0.0000000 -3.5152999 0.0000000 -0.1297879 0.0000000 -1.4592675 2 S -1.6021386 0.0000000 0.0007265 0.0000000 -3.5152999 0.0000000 -0.1297879 0.0000000 -1.4592675 3 S -1.7309492 0.0000000 0.0713630 0.0000000 -2.1268745 0.0000000 0.0781173 0.0000000 -1.6606587 4 S -1.7309492 0.0000000 0.0713630 0.0000000 -2.1268745 0.0000000 0.0781173 0.0000000 -1.6606587 5 Cu 0.7417661 0.0000000 -0.2579326 0.0000000 1.6860399 0.0000000 -0.2251415 0.0000000 0.1080564 6 Cu 0.8815510 0.0000000 -0.2739514 0.0000000 1.1225230 0.0000000 0.0401645 0.0000000 0.4301359 7 Cu 0.5858247 0.0000000 0.4234434 0.0000000 1.6632491 0.0000000 0.2093722 0.0000000 0.3826164 8 Cu 0.5858247 0.0000000 0.4234434 0.0000000 1.6632491 0.0000000 0.2093722 0.0000000 0.3826164 9 Cu 0.8815510 0.0000000 -0.2739514 0.0000000 1.1225230 0.0000000 0.0401645 0.0000000 0.4301359 10 Cu 0.7417661 0.0000000 -0.2579326 0.0000000 1.6860399 0.0000000 -0.2251415 0.0000000 0.1080564 11 Rb 1.1239459 0.0000000 0.0363511 0.0000000 1.1703623 0.0000000 0.0272754 0.0000000 2.1991175 12 Rb 1.1239459 0.0000000 0.0363511 0.0000000 1.1703623 0.0000000 0.0272754 0.0000000 2.1991175 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.69, Number of G-points: 303, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/324) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 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 0.961 ( 0.000 0.000 0.000) 0.000 1.565 ( 0.000 0.000 0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.493 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 6.101 ( 0.000 0.000 0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.471 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 7.835 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.461 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 9.457 ( 0.000 0.000 0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/324) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 11.577 -14.100 1.802) 18.333 0.403 ( 9.788 -19.453 -1.067) 21.803 0.831 ( 8.835 -38.973 6.266) 40.450 1.527 ( -6.737 -5.311 -1.718) 8.749 1.735 ( -0.116 -16.138 0.228) 16.140 1.905 ( -2.924 0.236 0.327) 2.951 1.938 ( 3.714 0.241 0.617) 3.773 2.197 ( -1.260 -6.076 -3.194) 6.979 2.264 ( -2.069 0.657 2.725) 3.484 2.285 ( 3.372 -0.504 -1.731) 3.824 2.449 ( 0.342 -4.290 -3.041) 5.270 2.474 ( 1.889 0.401 3.992) 4.434 2.665 ( 0.682 0.521 -0.545) 1.016 2.837 ( -1.015 -2.406 0.840) 2.743 2.854 ( 2.207 -2.570 -0.993) 3.531 3.091 ( -1.731 2.752 -1.281) 3.494 3.245 ( 2.021 -0.994 2.294) 3.215 3.466 ( -0.232 -1.866 1.194) 2.228 3.530 ( -1.667 -10.275 -0.912) 10.449 3.761 ( 1.780 3.440 -0.210) 3.879 3.958 ( -0.126 -0.919 0.330) 0.984 4.000 ( -0.233 1.652 -0.265) 1.690 4.365 ( -1.430 0.683 0.461) 1.651 4.573 ( 0.604 3.101 -0.345) 3.178 6.183 ( -1.059 -8.514 0.118) 8.581 6.570 ( -24.497 -15.055 -11.927) 31.129 7.043 ( -0.512 -0.717 9.711) 9.751 7.462 ( -0.774 0.312 -0.010) 0.835 7.582 ( 0.277 -8.621 1.367) 8.733 7.927 ( -2.015 -4.220 0.522) 4.706 8.309 ( 11.761 1.947 -1.548) 12.021 8.477 ( 0.781 -1.876 -0.786) 2.178 8.664 ( -4.561 -0.508 1.496) 4.827 8.748 ( 5.554 0.640 -0.589) 5.622 9.450 ( -0.292 0.853 0.227) 0.930 9.750 ( 0.093 1.070 -0.050) 1.075 ======================= Grid point 2 (3/324) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 12.301 -16.120 0.087) 20.278 0.812 ( 4.622 -20.428 -2.061) 21.046 1.378 ( 3.159 -5.354 2.321) 6.636 1.683 ( 0.576 -20.337 1.947) 20.438 1.899 ( -2.716 -2.241 -1.185) 3.715 2.002 ( 2.800 -8.836 0.003) 9.269 2.086 ( 2.319 -14.520 2.954) 14.998 2.262 ( -2.631 -0.880 3.585) 4.533 2.287 ( 1.868 -2.345 -3.807) 4.846 2.360 ( 0.419 -7.147 -2.386) 7.546 2.426 ( 3.011 0.365 -1.181) 3.254 2.578 ( 0.647 -6.112 1.417) 6.307 2.660 ( 0.739 -0.188 -1.019) 1.273 2.798 ( -2.091 2.120 0.683) 3.054 2.930 ( 2.875 1.327 1.166) 3.374 3.077 ( -2.370 -3.391 -0.504) 4.168 3.352 ( 3.012 -8.142 0.691) 8.709 3.460 ( -1.768 0.274 1.907) 2.615 3.691 ( 4.245 4.926 -1.098) 6.595 3.756 ( -4.039 -11.912 -1.839) 12.712 3.947 ( -2.203 2.158 0.732) 3.170 3.995 ( 3.062 -1.822 -0.050) 3.563 4.342 ( -2.429 0.842 0.469) 2.613 4.501 ( 1.396 4.735 -0.567) 4.969 6.375 ( -1.532 -11.794 0.195) 11.895 6.758 ( -10.135 -15.667 -4.601) 19.218 7.120 ( -3.996 -7.584 2.776) 9.011 7.476 ( -0.394 -2.493 -0.122) 2.527 7.779 ( -0.253 -11.350 1.315) 11.429 7.999 ( -0.001 -3.738 0.281) 3.749 8.340 ( 4.806 -1.112 0.053) 4.934 8.544 ( 1.027 -5.209 -2.244) 5.764 8.667 ( -3.879 -1.953 2.515) 5.019 8.764 ( 6.283 0.706 -0.526) 6.345 9.427 ( -1.011 1.161 0.186) 1.551 9.722 ( 0.191 1.937 -0.117) 1.950 ======================= Grid point 3 (4/324) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 10.281 -13.911 -0.672) 17.311 1.141 ( -4.861 -12.051 -5.071) 13.949 1.390 ( 5.670 -4.086 1.008) 7.061 1.884 ( -2.311 -1.377 -0.273) 2.704 1.963 ( 0.555 -4.080 -0.729) 4.182 2.202 ( 5.135 4.123 -0.196) 6.588 2.283 ( -0.754 -2.095 3.192) 3.892 2.325 ( 2.205 -5.490 -2.088) 6.274 2.363 ( 6.009 -18.175 4.629) 19.694 2.462 ( -0.474 -5.536 -1.853) 5.857 2.568 ( -1.715 -9.832 -3.496) 10.575 2.666 ( -1.895 -3.015 -5.128) 6.243 2.718 ( 2.373 -2.623 5.002) 6.127 2.788 ( 0.706 -6.032 -0.347) 6.083 2.911 ( -0.095 -0.686 5.286) 5.331 3.136 ( 0.529 -2.075 0.950) 2.343 3.427 ( -3.485 -0.241 0.430) 3.519 3.525 ( 4.609 -2.709 0.788) 5.404 3.645 ( 4.550 -0.108 -1.146) 4.693 3.837 ( -1.600 0.681 -2.480) 3.029 3.912 ( -5.532 -0.590 0.706) 5.608 4.105 ( 3.575 -6.845 0.232) 7.726 4.313 ( -2.442 0.919 0.113) 2.611 4.420 ( 2.096 4.413 -0.600) 4.922 6.584 ( -1.369 -11.054 0.268) 11.142 7.015 ( -5.547 -16.019 -1.627) 17.030 7.286 ( -6.780 -12.276 -0.231) 14.025 7.544 ( -0.105 -4.168 0.144) 4.172 7.987 ( -1.157 -10.933 0.197) 10.995 8.084 ( 1.809 -5.722 0.347) 6.011 8.400 ( 2.815 -3.300 0.316) 4.349 8.656 ( -0.589 -6.680 -3.899) 7.757 8.715 ( 0.597 -3.191 3.367) 4.677 8.786 ( 4.143 -0.613 0.395) 4.207 9.402 ( -1.458 0.835 0.213) 1.694 9.681 ( 0.279 2.581 -0.200) 2.604 ======================= Grid point 4 (5/324) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -6.350 1.174 -3.053) 7.143 1.383 ( 8.922 -14.320 -2.003) 16.991 1.634 ( 0.667 -14.723 -2.018) 14.875 1.832 ( 1.324 6.312 -0.765) 6.495 2.019 ( -1.230 -2.750 -0.550) 3.062 2.160 ( 7.321 2.060 -0.359) 7.614 2.330 ( -1.660 -2.731 1.461) 3.514 2.407 ( 5.787 -2.563 -1.628) 6.535 2.526 ( -4.463 -2.551 -2.259) 5.615 2.537 ( 0.891 -1.423 -1.591) 2.313 2.704 ( -2.331 -4.154 -1.628) 5.034 2.730 ( 0.226 -1.498 3.782) 4.074 2.781 ( 1.411 -5.687 2.001) 6.191 2.969 ( 3.804 -8.727 3.579) 10.170 3.052 ( -0.868 -11.119 1.021) 11.200 3.162 ( -0.882 -2.603 1.233) 3.013 3.401 ( 1.014 2.482 0.196) 2.688 3.533 ( 3.301 1.383 -0.051) 3.580 3.724 ( 2.327 -3.851 -0.554) 4.534 3.801 ( 0.999 1.657 -0.209) 1.946 3.898 ( -4.272 -0.705 -0.159) 4.332 4.192 ( 0.003 -0.131 -0.486) 0.503 4.299 ( -0.068 -0.072 -0.160) 0.188 4.373 ( 1.991 0.745 -0.432) 2.169 6.774 ( -0.803 -9.899 0.298) 9.936 7.269 ( -5.813 -13.979 -0.636) 15.153 7.491 ( -4.612 -12.507 -1.698) 13.438 7.591 ( -2.441 -0.953 0.469) 2.662 8.183 ( 1.020 -10.727 -1.353) 10.860 8.246 ( 2.664 -9.617 1.165) 10.046 8.490 ( 1.500 -5.071 0.177) 5.291 8.760 ( 0.503 -4.561 -1.157) 4.732 8.776 ( 3.125 -2.358 -1.439) 4.170 8.841 ( -0.499 -3.628 2.506) 4.437 9.388 ( -1.510 -0.201 0.257) 1.545 9.629 ( 0.393 3.026 -0.279) 3.064 ======================= Grid point 5 (6/324) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -6.934 -2.924 -2.298) 7.868 1.637 ( 4.017 0.176 -2.011) 4.496 1.695 ( 4.583 -1.740 -1.180) 5.042 1.875 ( -0.852 -9.835 -1.905) 10.054 2.059 ( -1.137 -2.256 -0.157) 2.532 2.192 ( 8.068 -1.008 -0.871) 8.177 2.358 ( -0.473 -0.700 -0.177) 0.863 2.481 ( 2.640 -2.623 -0.506) 3.756 2.509 ( -4.250 0.455 -2.891) 5.160 2.568 ( 3.265 -2.443 -1.345) 4.294 2.734 ( -3.033 1.199 4.507) 5.563 2.794 ( -2.316 -5.886 1.154) 6.430 2.844 ( -0.512 -2.000 0.317) 2.089 3.027 ( 2.578 1.365 1.855) 3.457 3.227 ( -2.892 -0.802 -1.764) 3.481 3.254 ( 1.964 -7.384 0.056) 7.641 3.392 ( 2.462 -1.288 1.639) 3.226 3.538 ( 1.902 -2.173 0.418) 2.918 3.781 ( -0.224 1.308 1.304) 1.861 3.784 ( 2.024 -1.685 0.575) 2.696 3.915 ( 0.030 -2.492 -0.451) 2.532 4.152 ( -0.695 2.706 -0.866) 2.925 4.275 ( 0.295 2.150 -0.368) 2.201 4.406 ( 1.363 -1.920 -0.218) 2.364 6.947 ( 0.229 -8.742 0.300) 8.750 7.458 ( -8.229 -9.072 -0.756) 12.271 7.552 ( -2.743 1.600 -0.545) 3.222 7.697 ( -0.333 -9.773 -0.628) 9.799 8.392 ( 2.710 -10.622 -1.308) 11.040 8.441 ( 4.152 -8.476 1.000) 9.491 8.598 ( -0.736 -5.938 -0.016) 5.983 8.804 ( 4.633 -0.383 -0.304) 4.659 8.856 ( -2.249 -4.790 -1.751) 5.573 8.892 ( -1.861 -1.549 1.901) 3.078 9.397 ( -1.311 -1.540 0.259) 2.039 9.573 ( 0.661 3.182 -0.314) 3.265 ======================= Grid point 6 (7/324) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -6.495 -7.494 -0.888) 9.956 1.472 ( 4.014 10.845 -1.305) 11.637 1.870 ( 3.265 -6.999 -0.803) 7.765 1.997 ( -1.077 -4.291 -0.617) 4.467 2.086 ( -0.107 -0.819 -0.204) 0.851 2.257 ( 5.614 -2.232 -1.453) 6.213 2.362 ( 0.229 -0.033 0.098) 0.251 2.455 ( -2.842 2.154 -3.465) 4.972 2.537 ( 1.063 -2.249 1.079) 2.711 2.642 ( 0.278 -2.889 0.316) 2.919 2.685 ( -1.671 2.362 2.608) 3.896 2.862 ( 0.067 -0.721 -0.827) 1.099 2.891 ( -2.853 -5.279 1.097) 6.100 3.048 ( 3.020 -1.316 1.944) 3.825 3.147 ( 0.085 4.764 -3.078) 5.672 3.363 ( -4.314 -0.489 -0.075) 4.342 3.377 ( 3.151 -0.280 0.064) 3.164 3.650 ( 2.344 -5.080 3.304) 6.497 3.755 ( -1.325 0.529 -1.097) 1.800 3.815 ( 2.157 -0.320 1.037) 2.415 3.970 ( 1.259 -2.402 0.118) 2.714 4.102 ( -0.616 1.940 -0.622) 2.128 4.237 ( -0.066 1.672 -0.384) 1.716 4.435 ( 0.660 -0.753 -0.128) 1.010 7.104 ( 1.767 -7.436 0.327) 7.650 7.424 ( -5.976 4.534 -0.340) 7.509 7.605 ( -2.911 -5.172 -0.906) 6.003 7.840 ( 1.089 -5.049 -0.108) 5.166 8.585 ( 3.909 -7.248 -1.513) 8.372 8.592 ( 4.201 -6.113 1.241) 7.521 8.685 ( -2.896 -3.984 -0.149) 4.927 8.822 ( 1.503 0.581 -0.417) 1.664 8.888 ( -1.512 0.953 0.880) 1.992 8.912 ( -1.807 -2.503 -0.461) 3.121 9.429 ( -1.315 -2.390 0.210) 2.736 9.518 ( 1.107 2.997 -0.280) 3.207 ======================= Grid point 7 (8/324) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.000 0.000 0.000) 0.000 1.338 ( -0.000 -0.000 0.000) 0.000 1.949 ( -0.000 -0.000 -0.000) 0.000 2.032 ( -0.000 -0.000 0.000) 0.000 2.089 ( 0.000 -0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 -0.000 0.000) 0.000 2.406 ( -0.000 0.000 -0.000) 0.000 2.577 ( 0.000 -0.000 -0.000) 0.000 2.628 ( -0.000 0.000 0.000) 0.000 2.690 ( 0.000 -0.000 -0.000) 0.000 2.868 ( 0.000 -0.000 0.000) 0.000 2.960 ( 0.000 0.000 -0.000) 0.000 3.036 ( 0.000 -0.000 -0.000) 0.000 3.123 ( 0.000 -0.000 0.000) 0.000 3.317 ( -0.000 0.000 0.000) 0.000 3.412 ( 0.000 -0.000 0.000) 0.000 3.697 ( 0.000 -0.000 -0.000) 0.000 3.760 ( -0.000 -0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 3.999 ( -0.000 -0.000 0.000) 0.000 4.079 ( 0.000 -0.000 0.000) 0.000 4.219 ( -0.000 -0.000 0.000) 0.000 4.443 ( -0.000 -0.000 0.000) 0.000 7.210 ( -0.000 0.000 -0.000) 0.000 7.332 ( 0.000 -0.000 0.000) 0.000 7.647 ( -0.000 -0.000 0.000) 0.000 7.890 ( 0.000 -0.000 -0.000) 0.000 8.653 ( 0.000 -0.000 0.000) 0.000 8.694 ( -0.000 -0.000 0.000) 0.000 8.725 ( 0.000 -0.000 0.000) 0.000 8.790 ( 0.000 -0.000 0.000) 0.000 8.874 ( 0.000 -0.000 0.000) 0.000 8.931 ( 0.000 -0.000 -0.000) 0.000 9.469 ( -0.000 -0.000 0.000) 0.000 9.473 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 16 (9/324) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( 17.580 0.000 14.594) 22.848 0.267 ( 20.110 0.000 16.702) 26.142 0.472 ( 44.005 0.000 7.751) 44.682 0.950 ( -1.926 -0.000 -0.541) 2.000 1.570 ( 0.395 0.000 1.870) 1.911 1.902 ( -2.518 -0.000 0.075) 2.519 1.973 ( 3.933 0.000 0.746) 4.003 2.110 ( -2.401 -0.000 -6.372) 6.809 2.269 ( -0.937 -0.000 -1.682) 1.925 2.314 ( 0.053 0.000 0.763) 0.764 2.393 ( 3.602 0.000 -3.448) 4.987 2.499 ( 2.924 0.000 5.307) 6.059 2.675 ( 1.671 0.000 -1.149) 2.028 2.829 ( 6.002 0.000 -10.865) 12.413 2.852 ( -1.845 -0.000 -0.961) 2.081 3.146 ( -0.234 -0.000 0.130) 0.267 3.282 ( -7.709 -0.000 11.071) 13.490 3.372 ( -1.758 -0.000 6.952) 7.171 3.489 ( -1.054 -0.000 1.399) 1.752 3.818 ( 1.583 0.000 3.312) 3.671 3.945 ( -0.617 -0.000 0.102) 0.625 4.014 ( -0.606 -0.000 -0.167) 0.628 4.368 ( -3.255 -0.000 2.229) 3.945 4.610 ( 1.657 0.000 -0.108) 1.660 5.269 ( 1.679 0.000 0.021) 1.679 6.090 ( -2.283 -0.000 0.192) 2.291 7.100 ( -15.021 -0.000 28.062) 31.829 7.474 ( 0.040 0.000 0.995) 0.996 7.489 ( -0.467 -0.000 -0.057) 0.470 7.842 ( 1.448 0.000 0.055) 1.449 8.457 ( -0.799 -0.000 0.184) 0.820 8.604 ( 6.165 0.000 -14.797) 16.031 8.679 ( -4.814 -0.000 2.452) 5.403 8.800 ( 8.812 0.000 -4.843) 10.055 9.473 ( -1.428 -0.000 0.908) 1.693 9.761 ( 0.147 0.000 -0.105) 0.180 ======================= Grid point 17 (10/324) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 12.703 -11.386 8.573) 19.092 0.577 ( 22.700 -11.716 -0.712) 25.555 1.032 ( 22.710 -29.398 11.381) 38.853 1.412 ( -12.357 -14.151 -3.288) 19.073 1.735 ( -0.125 -14.530 0.937) 14.560 1.881 ( -2.594 -0.203 1.117) 2.832 1.982 ( 4.098 -0.555 1.113) 4.283 2.154 ( -3.044 -6.098 -6.129) 9.166 2.255 ( -1.998 0.204 2.497) 3.204 2.316 ( 3.651 -0.998 -0.949) 3.902 2.448 ( 2.035 -3.660 -3.348) 5.361 2.522 ( 3.995 0.879 5.017) 6.473 2.675 ( 2.228 0.770 -1.284) 2.684 2.823 ( -1.752 1.597 -0.516) 2.427 2.883 ( 3.450 -6.898 0.069) 7.713 3.062 ( -1.999 4.630 -1.796) 5.354 3.281 ( 2.115 -1.585 3.062) 4.045 3.472 ( -0.562 -1.237 3.319) 3.587 3.491 ( -4.483 -9.733 -2.507) 11.005 3.795 ( 5.253 3.287 -0.697) 6.236 3.957 ( -0.665 -0.813 0.757) 1.294 3.996 ( -0.297 1.059 -0.517) 1.215 4.342 ( -3.742 0.681 1.063) 3.949 4.582 ( 1.625 3.098 -0.691) 3.566 6.163 ( -3.478 -9.141 0.362) 9.787 6.209 ( -30.190 -37.916 -12.031) 49.938 7.048 ( -6.626 0.683 10.135) 12.128 7.451 ( -1.186 0.329 -0.012) 1.230 7.592 ( -0.084 -8.563 2.093) 8.815 7.916 ( -0.296 -4.988 0.498) 5.021 8.420 ( 5.538 5.304 0.505) 7.685 8.502 ( 8.778 1.688 -5.056) 10.270 8.623 ( -5.108 -0.834 3.813) 6.428 8.814 ( 7.894 1.017 -1.371) 8.076 9.444 ( -1.163 1.247 0.452) 1.764 9.751 ( 0.168 1.058 -0.156) 1.083 ======================= Grid point 18 (11/324) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 10.361 -15.909 2.140) 19.106 0.894 ( 14.515 -11.623 -2.192) 18.723 1.404 ( 0.247 -0.779 -0.150) 0.831 1.731 ( 6.409 -19.805 4.901) 21.385 1.870 ( -1.522 -4.160 -1.016) 4.545 2.027 ( 1.809 -13.167 1.014) 13.329 2.134 ( 3.968 -12.888 3.715) 13.988 2.238 ( -3.559 -3.680 -0.122) 5.121 2.283 ( -0.884 -4.345 -0.586) 4.472 2.372 ( 4.469 -2.827 -2.979) 6.069 2.460 ( 4.674 1.177 -2.237) 5.313 2.577 ( -0.963 -3.866 -0.891) 4.083 2.682 ( 3.740 -1.306 1.359) 4.188 2.781 ( -1.862 1.630 1.212) 2.756 2.960 ( 1.506 3.663 0.775) 4.036 3.058 ( -0.749 -6.883 0.788) 6.968 3.374 ( 0.062 -5.358 -0.031) 5.358 3.456 ( -0.456 -0.980 3.047) 3.233 3.692 ( -5.882 -11.220 -3.204) 13.067 3.748 ( 7.257 4.746 -0.821) 8.710 3.926 ( -2.462 2.628 0.421) 3.626 4.027 ( 3.221 -3.544 0.163) 4.791 4.312 ( -3.853 0.610 0.564) 3.941 4.516 ( 2.015 4.557 -0.748) 5.038 6.354 ( -2.856 -12.285 0.311) 12.616 6.614 ( -13.614 -22.868 -5.708) 27.219 7.076 ( -7.201 -5.904 3.442) 9.928 7.470 ( -0.545 -3.007 -0.207) 3.063 7.778 ( -1.195 -10.729 1.501) 10.899 8.002 ( 0.420 -4.297 0.323) 4.329 8.394 ( 4.741 0.531 0.912) 4.857 8.548 ( 2.909 -3.638 -4.637) 6.573 8.650 ( -2.402 -3.267 4.798) 6.282 8.828 ( 7.119 1.258 -0.970) 7.294 9.414 ( -1.869 1.257 0.334) 2.276 9.724 ( 0.176 1.912 -0.226) 1.933 ======================= Grid point 19 (12/324) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -1.990 -1.570 -3.851) 4.610 1.128 ( 10.372 -16.093 -1.006) 19.172 1.447 ( 6.071 -6.225 -0.877) 8.739 1.866 ( -1.685 -2.135 -0.104) 2.722 1.971 ( 2.411 -2.448 -0.978) 3.573 2.248 ( 2.481 2.162 -0.135) 3.294 2.269 ( -1.994 -3.507 1.121) 4.187 2.361 ( 4.261 -5.645 0.915) 7.132 2.430 ( 1.796 -8.104 -0.703) 8.330 2.464 ( 5.276 -7.942 1.380) 9.634 2.557 ( 1.598 -12.214 -0.960) 12.356 2.615 ( -3.370 -3.814 -5.788) 7.708 2.748 ( 0.477 0.645 3.670) 3.757 2.816 ( 3.897 -8.283 1.445) 9.267 2.934 ( 0.644 -1.385 5.192) 5.412 3.145 ( -0.020 -1.735 1.801) 2.500 3.388 ( -4.761 -0.721 0.521) 4.843 3.571 ( 3.836 -4.951 0.228) 6.267 3.698 ( 6.303 3.049 -0.798) 7.047 3.801 ( -3.043 -4.021 -3.414) 6.090 3.867 ( -3.846 1.770 1.043) 4.360 4.139 ( 3.270 -5.357 -0.043) 6.277 4.288 ( -2.593 0.016 0.062) 2.594 4.439 ( 2.159 4.366 -0.680) 4.918 6.569 ( -1.842 -11.607 0.376) 11.758 6.941 ( -7.499 -18.367 -2.083) 19.948 7.209 ( -8.382 -12.175 -0.119) 14.782 7.538 ( -1.132 -3.656 0.036) 3.827 7.974 ( -1.551 -11.059 -0.091) 11.168 8.105 ( 1.965 -6.666 0.347) 6.958 8.438 ( 4.145 -2.421 0.795) 4.865 8.634 ( -0.444 -5.645 -3.662) 6.743 8.735 ( 0.351 -4.918 4.131) 6.432 8.836 ( 5.925 1.083 -0.732) 6.067 9.384 ( -2.185 0.744 0.337) 2.333 9.682 ( 0.190 2.531 -0.299) 2.556 ======================= Grid point 20 (13/324) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -5.825 2.002 -3.799) 7.236 1.459 ( 7.559 -14.506 -2.728) 16.584 1.636 ( 2.434 -9.087 -1.903) 9.598 1.860 ( 4.065 3.438 -0.435) 5.342 2.004 ( -0.600 -2.054 -0.643) 2.234 2.223 ( 4.526 0.827 0.072) 4.602 2.320 ( -0.139 -2.722 -0.558) 2.782 2.463 ( -4.968 -2.309 -1.471) 5.673 2.468 ( 5.916 -0.900 -1.728) 6.228 2.546 ( 2.657 -2.320 -2.379) 4.255 2.672 ( -3.257 -4.865 0.062) 5.855 2.747 ( 0.436 0.324 3.327) 3.371 2.795 ( -0.053 -5.004 1.327) 5.178 3.035 ( 5.868 -8.993 4.496) 11.642 3.054 ( 0.186 -8.791 1.139) 8.866 3.152 ( -2.449 -2.098 1.909) 3.748 3.391 ( -2.406 -1.288 -0.055) 2.729 3.581 ( 5.641 4.023 -0.092) 6.929 3.742 ( 1.381 -3.693 -0.303) 3.954 3.817 ( 0.952 1.724 0.712) 2.094 3.856 ( -2.161 -3.266 -1.272) 4.118 4.187 ( -0.595 1.017 -0.647) 1.344 4.302 ( 0.754 -0.603 -0.237) 0.994 4.390 ( 1.831 0.782 -0.497) 2.052 6.768 ( -0.578 -10.370 0.418) 10.394 7.197 ( -7.963 -13.596 -0.774) 15.775 7.439 ( -4.384 -15.088 -1.690) 15.803 7.563 ( -3.384 -0.158 0.178) 3.392 8.190 ( 1.308 -12.168 -1.338) 12.311 8.273 ( 1.998 -9.908 0.758) 10.135 8.518 ( 3.874 -3.647 0.522) 5.346 8.734 ( -2.320 -6.175 -2.053) 6.909 8.826 ( 3.463 -2.241 1.852) 4.521 8.847 ( 1.660 -0.753 0.019) 1.823 9.371 ( -2.072 -0.462 0.351) 2.151 9.632 ( 0.313 2.904 -0.348) 2.942 ======================= Grid point 21 (14/324) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -6.062 -3.127 -2.673) 7.326 1.670 ( 3.728 6.755 -1.865) 7.938 1.720 ( 2.704 -10.589 -3.171) 11.379 1.882 ( 2.976 -5.190 -0.442) 5.999 2.051 ( -0.316 -2.846 0.320) 2.882 2.258 ( 5.651 -1.418 -0.664) 5.864 2.356 ( 0.797 -0.876 -1.383) 1.821 2.443 ( -4.804 -0.395 -3.888) 6.193 2.513 ( 1.595 -1.282 1.841) 2.753 2.604 ( 5.128 -2.188 -1.832) 5.869 2.720 ( -3.271 1.244 3.725) 5.111 2.770 ( -2.448 -5.225 0.978) 5.852 2.843 ( 0.099 -1.520 0.142) 1.530 3.057 ( 1.322 0.691 1.820) 2.353 3.187 ( -3.569 0.354 -1.628) 3.939 3.265 ( 0.024 -7.285 1.437) 7.425 3.425 ( 2.540 -0.633 0.891) 2.765 3.566 ( 3.307 -2.358 0.290) 4.072 3.778 ( -1.357 1.464 2.540) 3.230 3.811 ( 2.197 -1.740 0.034) 2.803 3.922 ( 2.178 -3.343 -0.717) 4.054 4.141 ( -0.882 2.596 -0.832) 2.865 4.275 ( 0.066 2.461 -0.578) 2.529 4.419 ( 1.490 -1.555 -0.224) 2.165 6.953 ( 0.764 -9.346 0.387) 9.386 7.368 ( -9.090 -8.342 -0.817) 12.364 7.522 ( -2.560 0.360 -0.697) 2.677 7.689 ( -0.770 -11.545 -0.616) 11.587 8.415 ( 3.098 -10.890 -1.370) 11.404 8.479 ( 2.465 -10.056 0.667) 10.375 8.604 ( 2.263 -3.501 0.291) 4.179 8.823 ( -3.102 -5.026 -1.201) 6.027 8.846 ( 3.556 0.830 -0.639) 3.707 8.882 ( -1.155 -1.205 1.631) 2.333 9.383 ( -1.758 -1.754 0.290) 2.500 9.578 ( 0.676 2.949 -0.340) 3.045 ======================= Grid point 22 (15/324) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -5.091 -8.213 -0.970) 9.711 1.515 ( 5.622 10.473 -0.981) 11.927 1.877 ( -0.564 -6.114 -2.651) 6.688 1.987 ( -0.515 -4.469 0.471) 4.523 2.092 ( 1.197 -0.741 0.386) 1.460 2.308 ( 5.515 -0.866 -1.463) 5.771 2.361 ( -0.620 -0.067 -0.440) 0.764 2.417 ( -1.763 0.808 -2.599) 3.243 2.549 ( 0.054 -2.040 1.385) 2.466 2.641 ( -1.507 0.660 1.429) 2.179 2.690 ( 1.861 0.034 -0.121) 1.865 2.856 ( -0.513 -3.153 -0.746) 3.281 2.879 ( -1.147 -3.609 2.194) 4.376 3.071 ( 0.046 0.094 1.321) 1.325 3.120 ( -2.464 2.250 -3.168) 4.601 3.328 ( -2.460 0.031 0.159) 2.466 3.424 ( 5.235 0.598 1.022) 5.367 3.673 ( 0.074 -5.111 1.406) 5.302 3.739 ( -0.878 1.956 0.023) 2.144 3.848 ( 3.018 -0.191 1.526) 3.387 3.982 ( 1.196 -1.890 -0.395) 2.271 4.094 ( -0.496 1.656 -0.573) 1.821 4.232 ( -0.642 1.591 -0.443) 1.772 4.442 ( 0.837 -0.367 -0.126) 0.922 7.124 ( 2.140 -7.981 0.331) 8.270 7.360 ( -6.389 2.516 -0.399) 6.878 7.579 ( -1.790 -5.711 -0.790) 6.037 7.846 ( 0.386 -5.256 -0.128) 5.272 8.613 ( 3.346 -8.123 -1.274) 8.877 8.647 ( 4.116 -5.492 0.600) 6.889 8.659 ( -1.267 -2.063 0.225) 2.432 8.829 ( 0.139 2.101 -0.455) 2.155 8.880 ( -0.121 -0.486 -1.442) 1.526 8.889 ( -2.903 -2.421 1.870) 4.218 9.416 ( -1.575 -2.452 0.198) 2.921 9.529 ( 1.141 2.775 -0.271) 3.013 ======================= Grid point 23 (16/324) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -1.366 -7.734 0.100) 7.854 1.362 ( 4.184 6.845 0.170) 8.024 1.929 ( -2.566 -0.279 -1.301) 2.890 2.026 ( -1.708 0.123 0.374) 1.753 2.092 ( 0.261 0.281 0.333) 0.508 2.307 ( 0.729 3.379 0.005) 3.457 2.355 ( -1.144 -0.304 -0.369) 1.240 2.425 ( 2.640 -2.318 1.282) 3.740 2.571 ( -1.137 1.343 -0.068) 1.761 2.628 ( 0.218 -2.262 -0.513) 2.329 2.702 ( 2.725 1.326 -1.075) 3.216 2.875 ( 0.905 0.208 0.786) 1.217 2.953 ( -1.610 -1.240 0.717) 2.155 3.033 ( -1.216 -0.865 0.962) 1.775 3.092 ( -4.567 1.271 -2.197) 5.225 3.326 ( 1.747 -1.763 -0.052) 2.483 3.437 ( 3.797 1.792 1.856) 4.590 3.692 ( -0.285 2.177 -2.278) 3.164 3.737 ( -3.223 -2.148 -0.229) 3.880 3.845 ( 2.584 2.344 2.191) 4.120 3.993 ( -0.867 0.678 -0.709) 1.309 4.081 ( 0.455 -0.508 -0.083) 0.687 4.217 ( -0.523 -0.383 0.073) 0.652 4.444 ( 0.202 0.361 -0.003) 0.414 7.200 ( -1.699 3.114 -0.241) 3.555 7.343 ( 1.781 -5.284 0.229) 5.580 7.651 ( 0.689 -1.846 0.037) 1.971 7.887 ( -0.507 0.692 0.004) 0.858 8.631 ( -3.048 2.346 -0.341) 3.862 8.696 ( -0.340 2.832 0.383) 2.878 8.744 ( 3.187 -0.576 0.305) 3.253 8.796 ( 1.373 -1.342 -0.563) 2.001 8.873 ( 0.044 -0.156 -0.486) 0.512 8.925 ( -1.315 -1.492 0.661) 2.097 9.458 ( -1.293 -2.795 0.162) 3.084 9.484 ( 1.199 2.661 -0.169) 2.923 ======================= Grid point 24 (17/324) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 6.999 6.930 0.681) 9.873 1.445 ( -2.560 -11.256 1.205) 11.606 1.833 ( -3.966 8.431 0.171) 9.319 1.999 ( -1.157 1.805 -0.069) 2.145 2.090 ( -0.296 0.435 0.550) 0.761 2.218 ( -2.932 5.422 1.586) 6.364 2.359 ( -0.112 -0.443 -0.111) 0.471 2.494 ( 1.634 -2.275 3.843) 4.755 2.526 ( -0.071 2.022 -0.558) 2.098 2.642 ( 0.845 5.373 -0.375) 5.452 2.694 ( 2.294 -3.453 -3.479) 5.412 2.861 ( -0.405 1.938 0.227) 1.993 2.924 ( 3.941 3.053 -0.120) 4.986 3.001 ( -4.497 1.961 -2.282) 5.410 3.131 ( -5.174 -6.764 2.299) 8.821 3.373 ( 1.709 2.220 1.731) 3.294 3.409 ( 4.395 0.680 0.206) 4.452 3.606 ( -3.442 5.489 -3.929) 7.577 3.755 ( -1.987 -1.349 0.137) 2.406 3.813 ( 2.068 2.180 0.521) 3.050 3.954 ( -1.707 2.194 -0.584) 2.841 4.110 ( 0.563 -2.072 0.557) 2.218 4.237 ( -0.295 -1.751 0.260) 1.794 4.431 ( -0.392 1.145 0.107) 1.215 7.087 ( -1.251 6.736 -0.263) 6.856 7.477 ( 4.252 -5.831 0.228) 7.220 7.644 ( 4.195 4.160 0.882) 5.973 7.824 ( -2.068 4.982 0.012) 5.394 8.540 ( -4.234 5.262 -0.271) 6.760 8.567 ( -1.990 8.864 0.473) 9.097 8.714 ( 2.797 4.538 0.007) 5.331 8.805 ( -2.035 1.244 0.464) 2.430 8.901 ( 2.284 -1.334 -1.952) 3.288 8.927 ( 0.318 1.410 1.576) 2.138 9.440 ( 0.922 2.415 -0.194) 2.592 9.510 ( -0.869 -3.192 0.241) 3.317 ======================= Grid point 25 (18/324) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 6.669 2.645 1.619) 7.355 1.599 ( -5.405 12.065 0.910) 13.252 1.656 ( -2.719 -10.121 0.605) 10.497 1.907 ( 3.643 10.436 2.235) 11.277 2.070 ( 0.514 2.356 0.321) 2.433 2.112 ( -8.002 1.259 0.264) 8.105 2.365 ( 0.725 0.270 -0.102) 0.780 2.460 ( -1.387 4.881 0.787) 5.135 2.533 ( -2.432 -0.153 2.308) 3.356 2.576 ( 4.256 0.646 1.178) 4.463 2.746 ( 2.833 -0.811 -4.192) 5.124 2.798 ( -0.489 4.125 -0.564) 4.192 2.844 ( -0.531 5.074 -1.265) 5.257 3.006 ( 0.135 -1.640 -1.179) 2.024 3.213 ( -5.638 -1.743 1.861) 6.188 3.266 ( 2.730 7.708 1.182) 8.262 3.370 ( -0.637 6.507 -2.161) 6.886 3.524 ( -0.774 -0.310 -0.452) 0.948 3.754 ( -2.577 0.568 0.129) 2.642 3.789 ( 1.268 1.120 -1.166) 2.054 3.919 ( 0.411 0.547 0.210) 0.716 4.161 ( 0.461 -2.752 0.660) 2.867 4.273 ( -0.316 -2.068 0.178) 2.100 4.395 ( -0.960 2.359 0.159) 2.552 6.945 ( 0.011 8.205 -0.192) 8.207 7.531 ( 5.658 10.659 0.695) 12.087 7.580 ( 2.772 -2.725 0.154) 3.890 7.699 ( -0.396 7.420 0.508) 7.448 8.373 ( -1.963 10.441 1.184) 10.690 8.398 ( -3.262 7.874 -1.054) 8.588 8.612 ( 1.782 7.255 0.034) 7.471 8.761 ( -4.058 1.448 0.201) 4.313 8.881 ( 1.186 4.158 1.950) 4.744 8.901 ( 1.499 2.198 -2.032) 3.348 9.407 ( 0.774 1.360 -0.182) 1.576 9.568 ( -0.479 -3.315 0.224) 3.357 ======================= Grid point 26 (19/324) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 6.715 0.231 1.705) 6.932 1.304 ( -8.137 13.107 1.093) 15.466 1.628 ( -1.463 17.481 0.937) 17.567 1.847 ( 3.105 -6.325 1.303) 7.165 2.018 ( -2.465 2.250 0.047) 3.338 2.101 ( -3.509 -2.281 0.054) 4.186 2.338 ( 1.413 3.723 -2.312) 4.604 2.370 ( -3.319 2.142 2.662) 4.764 2.528 ( -0.968 1.660 0.164) 1.929 2.575 ( 3.312 3.904 1.351) 5.295 2.710 ( -1.245 4.669 -1.982) 5.223 2.728 ( 0.945 2.121 1.777) 2.924 2.760 ( -0.785 4.034 -2.009) 4.574 2.933 ( -1.496 9.066 -1.922) 9.388 3.062 ( 1.564 12.711 -0.913) 12.839 3.163 ( -0.021 2.869 -0.180) 2.875 3.372 ( -3.450 -5.962 -0.448) 6.903 3.520 ( 0.049 1.373 0.079) 1.376 3.705 ( -1.548 3.781 0.429) 4.108 3.797 ( -0.129 -2.147 0.124) 2.154 3.934 ( 2.611 -0.742 0.051) 2.715 4.191 ( -0.265 1.517 0.220) 1.556 4.304 ( 0.564 -1.024 0.106) 1.173 4.356 ( -1.564 -0.398 0.254) 1.633 6.780 ( 0.535 9.585 -0.156) 9.601 7.315 ( 3.016 14.211 0.371) 14.532 7.539 ( 3.568 10.384 1.386) 11.067 7.605 ( 0.741 1.874 -0.700) 2.133 8.181 ( -0.321 9.393 1.229) 9.479 8.216 ( -2.220 9.530 -1.232) 9.863 8.484 ( 0.104 6.434 -0.002) 6.435 8.722 ( -3.598 0.642 -0.205) 3.660 8.794 ( 0.965 6.266 3.481) 7.232 8.834 ( 0.288 4.407 -3.255) 5.486 9.398 ( 0.781 -0.007 -0.133) 0.793 9.627 ( -0.268 -3.074 0.156) 3.090 ======================= Grid point 27 (20/324) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -4.209 17.694 0.266) 18.190 1.210 ( 4.515 18.237 3.853) 19.178 1.328 ( -4.708 -1.858 -2.303) 5.560 1.917 ( 3.811 2.017 0.398) 4.330 1.952 ( -2.523 3.576 0.182) 4.380 2.164 ( -2.000 -4.724 -0.109) 5.131 2.269 ( -0.713 2.760 -0.938) 3.001 2.300 ( -2.550 21.149 -1.998) 21.395 2.329 ( -0.049 2.521 0.914) 2.682 2.469 ( 0.189 7.344 0.322) 7.353 2.611 ( 3.232 7.996 4.850) 9.895 2.665 ( -3.442 7.273 -5.032) 9.490 2.690 ( 0.179 2.034 1.417) 2.485 2.798 ( 0.758 3.011 1.495) 3.446 2.894 ( 0.059 1.268 -3.020) 3.276 3.129 ( -0.316 1.844 -0.236) 1.886 3.450 ( 1.233 -0.509 -0.133) 1.341 3.486 ( -1.994 1.740 -0.439) 2.683 3.618 ( -1.563 2.152 0.503) 2.707 3.853 ( 0.477 -2.703 0.775) 2.852 3.959 ( 3.349 -0.106 -0.015) 3.351 4.071 ( -2.478 9.085 -0.225) 9.419 4.332 ( 1.236 -1.166 -0.101) 1.702 4.405 ( -1.105 -4.622 0.284) 4.761 6.593 ( 0.502 10.797 -0.097) 10.809 7.058 ( 2.064 14.262 0.617) 14.424 7.337 ( 2.837 12.660 0.158) 12.975 7.541 ( -0.278 4.136 -0.110) 4.147 7.994 ( 0.352 11.367 -0.184) 11.374 8.070 ( -0.747 4.696 -0.108) 4.756 8.381 ( -0.853 4.352 -0.040) 4.435 8.669 ( -0.131 7.414 1.384) 7.544 8.704 ( 0.075 0.307 -0.292) 0.430 8.754 ( -1.544 3.018 -1.064) 3.553 9.411 ( 0.509 -0.896 -0.072) 1.033 9.679 ( -0.128 -2.597 0.070) 2.601 ======================= Grid point 28 (21/324) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -0.000 17.701 0.000) 17.701 0.796 ( -0.000 23.129 0.000) 23.129 1.353 ( -0.000 9.105 0.000) 9.105 1.681 ( -0.000 18.079 0.000) 18.079 1.920 ( -0.000 0.929 0.000) 0.929 1.982 ( -0.000 7.615 0.000) 7.615 2.069 ( -0.000 15.556 0.000) 15.556 2.265 ( 0.000 -0.350 -0.000) 0.350 2.285 ( -0.000 2.041 0.000) 2.041 2.366 ( -0.000 8.116 0.000) 8.116 2.413 ( -0.000 1.008 0.000) 1.008 2.569 ( -0.000 5.516 0.000) 5.516 2.661 ( -0.000 0.606 0.000) 0.606 2.810 ( 0.000 -2.272 -0.000) 2.272 2.910 ( 0.000 -0.223 -0.000) 0.223 3.092 ( -0.000 1.524 0.000) 1.524 3.332 ( -0.000 9.058 0.000) 9.058 3.466 ( 0.000 -0.062 -0.000) 0.062 3.672 ( 0.000 -5.284 -0.000) 5.284 3.781 ( -0.000 12.746 0.000) 12.746 3.963 ( 0.000 -1.520 -0.000) 1.520 3.972 ( -0.000 0.361 0.000) 0.361 4.353 ( 0.000 -0.876 -0.000) 0.876 4.495 ( 0.000 -4.857 -0.000) 4.857 6.383 ( -0.000 11.634 0.000) 11.634 6.823 ( -0.000 11.475 0.000) 11.475 7.134 ( -0.000 8.804 0.000) 8.804 7.478 ( -0.000 2.155 0.000) 2.155 7.777 ( -0.000 11.642 0.000) 11.642 7.999 ( -0.000 3.398 0.000) 3.398 8.314 ( -0.000 2.645 0.000) 2.645 8.544 ( -0.000 5.519 0.000) 5.519 8.698 ( -0.000 1.855 0.000) 1.855 8.717 ( 0.000 -0.878 -0.000) 0.878 9.432 ( 0.000 -1.119 -0.000) 1.119 9.721 ( 0.000 -1.945 -0.000) 1.945 ======================= Grid point 31 (22/324) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 16.928 0.000 14.295) 22.156 0.530 ( 19.861 0.000 15.596) 25.253 0.920 ( -3.532 -0.000 -0.976) 3.664 0.929 ( 41.753 0.000 7.302) 42.387 1.587 ( 0.741 0.000 3.493) 3.571 1.879 ( -2.720 -0.000 1.250) 2.994 2.019 ( 3.797 0.000 2.464) 4.526 2.047 ( -3.620 -0.000 -9.683) 10.338 2.247 ( -1.580 -0.000 -2.912) 3.313 2.321 ( -1.010 -0.000 5.548) 5.639 2.421 ( 5.221 0.000 -4.590) 6.951 2.561 ( 4.202 0.000 7.261) 8.389 2.692 ( 2.892 0.000 -1.891) 3.455 2.821 ( -2.754 -0.000 -2.213) 3.533 2.855 ( 4.936 0.000 -3.962) 6.330 3.144 ( -0.443 -0.000 0.190) 0.483 3.244 ( -4.207 -0.000 -0.464) 4.233 3.365 ( -3.649 -0.000 2.241) 4.283 3.490 ( -0.978 -0.000 4.106) 4.221 3.861 ( 5.935 0.000 -0.161) 5.937 3.937 ( -1.115 -0.000 0.165) 1.127 4.006 ( -0.739 -0.000 -0.005) 0.739 4.334 ( -5.125 -0.000 1.993) 5.499 4.631 ( 2.381 0.000 -0.027) 2.381 5.294 ( 3.286 0.000 0.071) 3.286 6.058 ( -4.381 -0.000 0.311) 4.393 7.049 ( -11.585 -0.000 13.365) 17.687 7.478 ( -0.367 -0.000 1.470) 1.515 7.483 ( -0.690 -0.000 -0.101) 0.697 7.863 ( 2.456 0.000 0.104) 2.458 8.442 ( -2.349 -0.000 -0.427) 2.387 8.591 ( -3.028 -0.000 1.435) 3.351 8.675 ( 3.983 0.000 -3.083) 5.037 8.869 ( 8.623 0.000 -4.479) 9.716 9.458 ( -2.035 -0.000 0.425) 2.079 9.761 ( 0.090 0.000 -0.215) 0.233 ======================= Grid point 32 (23/324) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 14.405 -6.658 11.403) 19.541 0.803 ( 21.035 -9.968 3.527) 23.543 1.260 ( -5.002 -15.745 -2.049) 16.647 1.357 ( 22.610 -22.672 8.653) 33.168 1.742 ( 0.408 -12.234 1.964) 12.397 1.861 ( -2.564 -1.084 1.692) 3.258 2.015 ( 1.731 -2.494 -2.455) 3.904 2.103 ( -2.410 -5.249 -3.045) 6.529 2.242 ( -1.767 -0.970 0.601) 2.104 2.347 ( 2.178 -1.978 1.581) 3.340 2.459 ( 3.228 -2.104 -4.572) 5.979 2.589 ( 5.346 1.426 4.919) 7.403 2.700 ( 3.810 0.514 -1.276) 4.051 2.801 ( -1.749 1.156 -1.547) 2.606 2.911 ( 1.184 -6.298 0.748) 6.452 3.048 ( 0.743 5.050 -1.145) 5.231 3.300 ( -0.290 -2.380 1.443) 2.798 3.425 ( -6.070 -10.231 -3.702) 12.459 3.480 ( -1.060 0.567 4.133) 4.305 3.855 ( 6.975 2.925 -1.030) 7.633 3.953 ( -0.422 0.140 0.775) 0.893 3.993 ( 0.113 -0.541 -0.317) 0.637 4.302 ( -5.055 0.578 1.163) 5.219 4.598 ( 2.166 3.330 -0.584) 4.015 5.932 ( -17.483 -40.715 -6.811) 44.830 6.126 ( -4.764 -9.175 0.302) 10.342 7.004 ( -8.897 0.283 7.513) 11.648 7.439 ( -1.109 0.338 -0.004) 1.159 7.595 ( -0.712 -8.370 1.707) 8.572 7.923 ( 1.239 -4.219 0.322) 4.409 8.423 ( -2.639 0.488 -0.263) 2.697 8.584 ( 5.366 2.515 -2.446) 6.411 8.607 ( 2.322 1.671 3.581) 4.583 8.887 ( 7.899 1.222 -2.201) 8.290 9.430 ( -1.944 1.390 0.434) 2.429 9.751 ( -0.013 1.035 -0.265) 1.068 ======================= Grid point 33 (24/324) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 8.148 -11.506 4.244) 14.724 1.056 ( 16.923 -5.697 -0.378) 17.860 1.392 ( -0.251 -3.886 -2.363) 4.555 1.792 ( -0.124 -5.054 1.846) 5.382 1.899 ( 8.674 -9.777 0.646) 13.086 2.051 ( 1.381 -17.363 3.558) 17.777 2.166 ( -2.439 -7.265 2.231) 7.982 2.205 ( 0.599 -12.605 -3.174) 13.012 2.284 ( 0.911 -3.838 3.568) 5.319 2.418 ( 6.249 -2.522 -2.017) 7.034 2.479 ( 0.758 -0.868 -4.738) 4.876 2.579 ( 3.547 2.604 -0.341) 4.413 2.738 ( 5.412 -2.946 2.741) 6.744 2.771 ( -1.109 0.715 0.934) 1.617 2.958 ( -1.595 1.819 -0.386) 2.449 3.074 ( 2.091 -5.784 2.778) 6.748 3.352 ( -3.901 -1.958 0.241) 4.371 3.471 ( 0.931 -3.706 1.593) 4.140 3.616 ( -6.643 -10.732 -2.961) 12.965 3.824 ( 8.136 4.212 -0.838) 9.200 3.903 ( -2.475 3.067 0.231) 3.948 4.061 ( 3.789 -4.656 0.019) 6.003 4.272 ( -4.457 0.166 0.476) 4.486 4.534 ( 2.124 4.489 -0.679) 5.012 6.322 ( -3.804 -13.155 0.253) 13.697 6.463 ( -11.898 -27.627 -4.836) 30.466 7.009 ( -8.674 -4.752 3.213) 10.399 7.463 ( -0.695 -3.228 -0.224) 3.309 7.768 ( -1.944 -10.059 1.085) 10.302 8.011 ( 1.024 -4.645 0.213) 4.761 8.420 ( -0.306 -1.505 0.290) 1.563 8.578 ( 6.313 -0.043 -3.033) 7.004 8.656 ( -0.097 -4.024 4.603) 6.114 8.893 ( 6.832 1.569 -1.324) 7.134 9.394 ( -2.331 1.371 0.412) 2.736 9.723 ( -0.103 1.862 -0.313) 1.891 ======================= Grid point 34 (25/324) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -3.176 0.873 -2.894) 4.385 1.239 ( 10.512 -10.796 -0.073) 15.068 1.514 ( 8.918 -7.163 -1.851) 11.588 1.845 ( -2.398 -3.522 0.019) 4.261 2.005 ( 4.933 -0.680 -1.487) 5.197 2.220 ( -5.303 -2.491 1.190) 5.978 2.276 ( 0.185 -3.957 -2.139) 4.502 2.379 ( -1.386 -4.105 1.543) 4.599 2.459 ( 7.384 -3.169 -3.557) 8.788 2.528 ( 4.738 -0.068 0.433) 4.758 2.566 ( -1.747 -6.169 -3.512) 7.311 2.596 ( 4.688 -15.948 3.634) 17.015 2.765 ( 0.837 0.235 2.408) 2.560 2.862 ( 3.761 -6.541 1.194) 7.640 2.969 ( 2.589 -4.073 4.929) 6.898 3.147 ( -1.281 -0.518 2.284) 2.670 3.339 ( -5.390 -1.198 0.502) 5.544 3.601 ( 2.469 -6.356 -0.650) 6.850 3.720 ( -3.212 -2.248 -1.103) 4.072 3.782 ( 2.088 1.369 -0.767) 2.612 3.852 ( 1.354 1.190 -0.733) 1.946 4.169 ( 2.766 -3.322 -0.319) 4.334 4.265 ( -1.902 -1.910 0.082) 2.697 4.456 ( 1.873 4.485 -0.637) 4.902 6.552 ( -1.719 -12.524 0.400) 12.648 6.855 ( -7.902 -19.914 -1.958) 21.513 7.124 ( -8.340 -12.621 -0.062) 15.127 7.523 ( -1.903 -2.764 -0.058) 3.357 7.958 ( -1.385 -11.756 -0.333) 11.842 8.125 ( 1.849 -7.109 0.142) 7.347 8.477 ( 2.382 -3.607 0.596) 4.363 8.627 ( 1.865 -3.349 -1.752) 4.215 8.753 ( 0.549 -4.913 2.831) 5.697 8.892 ( 5.776 1.608 -0.865) 6.058 9.362 ( -2.467 0.686 0.412) 2.594 9.681 ( -0.114 2.429 -0.348) 2.456 ======================= Grid point 35 (26/324) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -4.988 2.488 -3.759) 6.723 1.503 ( 3.542 -12.479 -2.419) 13.195 1.680 ( 7.634 -5.498 -1.899) 9.598 1.893 ( 2.303 -0.657 -0.094) 2.396 2.011 ( 2.823 0.297 -0.694) 2.922 2.237 ( -2.003 -2.098 1.589) 3.307 2.329 ( 2.418 -2.315 -2.947) 4.460 2.396 ( -4.960 -1.018 -3.684) 6.262 2.516 ( 2.869 0.260 0.414) 2.910 2.588 ( 7.444 -3.402 -1.192) 8.271 2.642 ( -3.544 -4.302 1.526) 5.779 2.765 ( 0.880 0.658 2.077) 2.350 2.795 ( -0.007 -3.775 0.237) 3.783 3.061 ( 0.104 -7.079 1.129) 7.169 3.107 ( 2.358 -4.781 3.259) 6.248 3.134 ( -0.378 -4.049 2.945) 5.021 3.363 ( -2.989 -3.604 0.012) 4.683 3.633 ( 4.877 4.323 -0.085) 6.518 3.748 ( 0.296 -4.087 -0.217) 4.103 3.787 ( -5.437 -1.227 1.224) 5.707 3.884 ( 6.321 -2.158 -1.655) 6.881 4.175 ( -1.220 1.520 -0.559) 2.027 4.313 ( 1.620 -0.164 -0.364) 1.668 4.404 ( 1.260 0.548 -0.457) 1.448 6.768 ( 0.276 -10.907 0.515) 10.923 7.109 ( -9.010 -13.266 -0.828) 16.058 7.393 ( -3.495 -17.432 -1.471) 17.839 7.529 ( -3.412 0.302 -0.005) 3.426 8.197 ( 1.162 -13.548 -1.168) 13.648 8.292 ( 1.459 -9.737 0.296) 9.851 8.565 ( 4.601 -3.496 0.609) 5.810 8.706 ( -1.758 -5.079 -0.844) 5.441 8.835 ( -0.799 -3.021 0.901) 3.252 8.891 ( 5.059 1.191 -0.143) 5.199 9.350 ( -2.264 -0.668 0.385) 2.392 9.632 ( 0.087 2.693 -0.350) 2.717 ======================= Grid point 36 (27/324) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -4.749 -3.461 -2.596) 6.424 1.676 ( -0.799 -1.728 -1.644) 2.515 1.755 ( 7.239 -1.933 -3.418) 8.236 1.913 ( 2.645 -2.409 0.154) 3.581 2.059 ( 1.574 -3.252 0.920) 3.728 2.292 ( 1.036 -3.219 0.948) 3.511 2.358 ( -0.508 -0.356 -3.540) 3.594 2.390 ( -0.722 -1.413 -3.718) 4.042 2.526 ( -0.439 -0.514 1.717) 1.846 2.642 ( 1.148 -0.558 1.175) 1.735 2.705 ( 0.306 -0.994 0.529) 1.167 2.766 ( 0.495 -2.214 1.007) 2.483 2.847 ( 0.521 -2.170 0.037) 2.232 3.062 ( -1.572 0.021 1.650) 2.280 3.144 ( -3.918 1.004 -1.539) 4.328 3.277 ( 1.422 -4.803 1.787) 5.319 3.442 ( 0.400 -3.334 0.342) 3.375 3.603 ( 3.701 -0.517 0.334) 3.752 3.772 ( -1.917 0.877 2.320) 3.135 3.829 ( 1.451 -3.318 0.417) 3.645 3.953 ( 4.251 -2.157 -0.849) 4.842 4.129 ( -0.976 2.365 -0.553) 2.618 4.272 ( -0.269 3.064 -0.717) 3.158 4.433 ( 1.334 -1.349 -0.184) 1.906 6.966 ( 1.566 -9.812 0.453) 9.947 7.275 ( -8.699 -8.462 -0.826) 12.164 7.497 ( -2.040 -0.558 -0.649) 2.212 7.678 ( -0.841 -12.821 -0.498) 12.859 8.441 ( 2.966 -11.374 -1.306) 11.827 8.493 ( 0.325 -10.543 0.259) 10.552 8.644 ( 4.984 -2.081 0.661) 5.442 8.787 ( -3.478 -4.950 -0.443) 6.066 8.852 ( -1.233 0.326 -0.557) 1.392 8.899 ( 2.781 0.604 0.748) 2.942 9.366 ( -1.907 -1.936 0.273) 2.731 9.583 ( 0.544 2.637 -0.301) 2.709 ======================= Grid point 37 (28/324) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -3.370 -9.019 -0.849) 9.665 1.571 ( 5.753 9.927 -0.470) 11.483 1.852 ( -1.199 -5.073 -2.993) 6.011 1.983 ( -1.364 -3.373 0.921) 3.753 2.110 ( 1.894 -0.302 0.562) 1.999 2.336 ( -1.854 -0.963 -0.079) 2.091 2.353 ( 2.770 0.347 -2.341) 3.644 2.411 ( 2.078 -0.910 -1.589) 2.770 2.544 ( -2.093 -2.050 1.150) 3.147 2.627 ( -2.036 1.415 1.387) 2.841 2.719 ( 4.131 -0.504 -1.131) 4.312 2.849 ( -1.075 -5.286 1.234) 5.533 2.883 ( 0.506 -1.225 1.147) 1.753 3.058 ( -3.323 1.867 0.642) 3.865 3.084 ( -2.127 0.842 -2.530) 3.411 3.319 ( 0.178 -0.197 0.356) 0.445 3.479 ( 4.586 -0.251 1.227) 4.754 3.664 ( -1.792 -3.492 -0.605) 3.972 3.738 ( -0.184 2.508 1.232) 2.800 3.883 ( 2.789 -0.782 1.697) 3.357 3.991 ( 0.999 -0.461 -0.780) 1.348 4.089 ( -0.027 1.211 -0.432) 1.286 4.221 ( -1.135 1.472 -0.403) 1.902 4.450 ( 0.787 -0.066 -0.102) 0.796 7.148 ( 2.396 -8.031 0.290) 8.386 7.298 ( -5.692 0.288 -0.372) 5.711 7.562 ( -0.984 -6.196 -0.584) 6.300 7.847 ( 0.003 -5.407 -0.098) 5.408 8.630 ( -1.625 -2.590 -0.391) 3.083 8.643 ( 3.021 -8.658 -0.967) 9.221 8.706 ( 4.870 -2.591 1.112) 5.627 8.822 ( -0.741 1.824 -0.995) 2.206 8.855 ( -3.362 -4.193 0.251) 5.380 8.888 ( 0.509 1.391 0.562) 1.584 9.401 ( -1.511 -2.591 0.163) 3.003 9.538 ( 0.936 2.562 -0.214) 2.736 ======================= Grid point 38 (29/324) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.891 -11.038 0.142) 11.075 1.409 ( 4.546 9.406 0.202) 10.449 1.903 ( -1.112 -0.786 -1.111) 1.757 1.997 ( -4.180 0.829 0.012) 4.261 2.094 ( -0.089 1.331 0.211) 1.350 2.317 ( 1.081 3.949 0.127) 4.097 2.345 ( -0.779 -0.617 -0.175) 1.009 2.459 ( 2.838 -2.808 1.800) 4.380 2.556 ( -1.506 1.036 -0.781) 1.988 2.628 ( 0.385 -3.024 -0.789) 3.149 2.737 ( 5.041 2.150 -0.797) 5.538 2.888 ( 0.866 0.671 0.762) 1.335 2.938 ( -1.782 -2.568 1.079) 3.307 3.000 ( -7.079 -1.429 0.910) 7.279 3.048 ( -0.882 2.681 -2.324) 3.657 3.346 ( 1.952 -2.629 -0.021) 3.274 3.491 ( 4.985 2.430 2.761) 6.195 3.666 ( -2.428 2.758 -4.362) 5.703 3.712 ( -1.951 -1.311 1.182) 2.630 3.881 ( 2.689 2.669 2.529) 4.555 3.977 ( -1.563 1.341 -1.379) 2.479 4.087 ( 0.607 -0.747 -0.111) 0.969 4.211 ( -0.704 -0.765 0.100) 1.045 4.447 ( 0.248 0.643 -0.003) 0.690 7.181 ( -1.639 3.958 -0.237) 4.290 7.362 ( 1.711 -7.803 0.220) 7.991 7.660 ( 0.963 -3.603 0.052) 3.729 7.881 ( -0.707 1.451 0.002) 1.614 8.602 ( -2.352 3.207 -0.261) 3.986 8.692 ( -0.685 4.671 0.370) 4.735 8.779 ( 3.251 -0.136 0.191) 3.260 8.810 ( 1.681 -1.159 -0.557) 2.116 8.871 ( 0.080 -0.838 -0.926) 1.252 8.911 ( -2.090 -2.799 1.132) 3.672 9.447 ( -0.957 -3.011 0.113) 3.161 9.493 ( 0.831 2.732 -0.122) 2.858 ======================= Grid point 39 (30/324) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 5.518 6.867 0.401) 8.818 1.427 ( -2.011 -11.916 0.653) 12.103 1.802 ( -2.181 10.164 0.222) 10.397 1.979 ( -2.049 -0.959 -0.497) 2.317 2.081 ( -1.325 0.039 0.203) 1.341 2.210 ( -0.392 8.021 1.162) 8.114 2.359 ( 0.105 -0.880 0.000) 0.887 2.511 ( -0.168 0.340 1.852) 1.891 2.535 ( 1.289 -0.513 0.784) 1.593 2.657 ( 2.126 6.911 -0.008) 7.231 2.700 ( 1.367 -3.766 -2.716) 4.840 2.859 ( -0.170 2.748 0.074) 2.754 2.944 ( -3.545 4.415 -2.056) 6.023 2.970 ( 4.026 -1.688 -0.146) 4.368 3.077 ( -6.634 -6.104 1.762) 9.186 3.411 ( 3.524 0.408 2.238) 4.194 3.448 ( 2.947 2.734 0.712) 4.083 3.555 ( -3.633 6.216 -3.773) 8.129 3.733 ( -1.944 -1.409 -0.154) 2.406 3.843 ( 2.932 3.076 0.989) 4.363 3.932 ( -2.143 1.498 -0.815) 2.739 4.117 ( 0.359 -2.104 0.339) 2.162 4.235 ( -0.296 -1.825 0.121) 1.853 4.428 ( -0.162 1.439 0.061) 1.449 7.077 ( -0.644 6.185 -0.147) 6.220 7.509 ( 2.036 -6.176 0.116) 6.504 7.692 ( 4.510 2.185 0.666) 5.056 7.799 ( -2.936 5.661 -0.144) 6.379 8.506 ( -2.316 5.635 -0.197) 6.096 8.553 ( -1.073 9.040 0.302) 9.108 8.740 ( 2.429 4.748 -0.174) 5.336 8.787 ( -2.066 2.624 0.438) 3.369 8.916 ( 2.350 -1.210 -2.562) 3.681 8.931 ( -0.982 0.334 2.345) 2.564 9.446 ( 0.482 2.482 -0.127) 2.531 9.504 ( -0.483 -3.337 0.147) 3.375 ======================= Grid point 40 (31/324) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 3.258 2.085 0.626) 3.919 1.551 ( -3.277 14.205 0.070) 14.578 1.645 ( -0.413 -10.457 0.346) 10.471 1.960 ( 5.526 8.249 1.520) 10.044 2.028 ( -7.143 4.662 -0.578) 8.549 2.081 ( 0.100 0.327 0.137) 0.369 2.369 ( 0.255 0.030 -0.047) 0.261 2.460 ( 0.254 7.004 0.683) 7.041 2.517 ( -1.392 -0.572 0.317) 1.539 2.617 ( 2.256 -0.465 0.999) 2.510 2.754 ( 1.279 -1.375 -2.269) 2.945 2.790 ( -0.512 4.042 0.083) 4.075 2.825 ( -1.575 6.124 -0.720) 6.364 3.017 ( 1.712 0.004 -0.513) 1.788 3.168 ( -3.517 -5.418 1.110) 6.554 3.292 ( 1.274 9.749 0.747) 9.860 3.359 ( -0.274 9.340 -1.163) 9.416 3.518 ( -0.153 -2.358 -0.199) 2.372 3.737 ( -0.975 0.380 0.061) 1.048 3.796 ( 0.537 2.290 -0.376) 2.382 3.923 ( 0.166 -0.894 0.057) 0.911 4.166 ( 0.166 -2.763 0.249) 2.779 4.271 ( -0.135 -2.088 0.048) 2.093 4.389 ( -0.347 2.672 0.058) 2.695 6.945 ( 0.031 7.894 -0.066) 7.895 7.569 ( 1.580 9.263 0.349) 9.403 7.606 ( 1.930 0.219 -0.079) 1.944 7.694 ( -0.584 4.774 0.220) 4.815 8.363 ( -0.796 10.308 0.844) 10.373 8.372 ( -1.129 7.854 -0.808) 7.976 8.628 ( 1.136 7.875 -0.003) 7.956 8.730 ( -1.914 1.923 0.088) 2.714 8.894 ( 0.270 3.265 1.179) 3.482 8.906 ( 0.658 3.096 -1.208) 3.388 9.412 ( 0.252 1.261 -0.067) 1.287 9.565 ( -0.175 -3.370 0.081) 3.375 ======================= Grid point 41 (32/324) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 -3.916 -0.000) 3.916 1.244 ( -0.000 17.187 0.000) 17.187 1.621 ( -0.000 17.875 0.000) 17.875 1.876 ( 0.000 -5.726 -0.000) 5.726 1.992 ( -0.000 1.249 0.000) 1.249 2.089 ( 0.000 -1.493 -0.000) 1.493 2.340 ( -0.000 5.189 0.000) 5.189 2.360 ( -0.000 1.036 0.000) 1.036 2.522 ( -0.000 2.091 0.000) 2.091 2.596 ( -0.000 4.750 0.000) 4.750 2.698 ( -0.000 5.731 0.000) 5.731 2.736 ( -0.000 0.958 0.000) 0.958 2.753 ( -0.000 2.867 0.000) 2.867 2.922 ( -0.000 9.576 0.000) 9.576 3.069 ( -0.000 13.508 0.000) 13.508 3.162 ( -0.000 2.936 0.000) 2.936 3.351 ( 0.000 -6.935 -0.000) 6.935 3.522 ( -0.000 1.863 0.000) 1.863 3.698 ( -0.000 3.740 0.000) 3.740 3.797 ( 0.000 -2.340 -0.000) 2.340 3.947 ( 0.000 -1.321 -0.000) 1.321 4.190 ( -0.000 2.170 0.000) 2.170 4.308 ( 0.000 -1.780 -0.000) 1.780 4.347 ( -0.000 0.019 0.000) 0.019 6.782 ( -0.000 9.475 0.000) 9.475 7.331 ( -0.000 14.269 0.000) 14.269 7.563 ( -0.000 9.770 0.000) 9.770 7.604 ( -0.000 2.084 0.000) 2.084 8.185 ( -0.000 8.159 0.000) 8.159 8.199 ( -0.000 10.262 0.000) 10.262 8.486 ( -0.000 6.974 0.000) 6.974 8.702 ( -0.000 0.582 0.000) 0.582 8.810 ( -0.000 6.640 0.000) 6.640 8.825 ( -0.000 4.303 0.000) 4.303 9.402 ( 0.000 -0.087 -0.000) 0.087 9.626 ( 0.000 -3.084 -0.000) 3.084 ======================= Grid point 46 (33/324) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 15.788 0.000 13.750) 20.936 0.783 ( 19.281 0.000 13.903) 23.770 0.875 ( -4.495 -0.000 -1.191) 4.650 1.352 ( 37.851 0.000 6.496) 38.405 1.612 ( 0.957 0.000 4.582) 4.681 1.858 ( -2.893 -0.000 1.880) 3.450 1.967 ( -4.139 -0.000 -10.853) 11.616 2.063 ( 2.523 0.000 3.583) 4.382 2.215 ( -2.118 -0.000 -3.929) 4.464 2.337 ( -0.648 -0.000 6.445) 6.477 2.457 ( 5.616 0.000 -4.613) 7.267 2.634 ( 4.437 0.000 7.249) 8.499 2.710 ( 1.655 0.000 -2.618) 3.097 2.790 ( -0.627 -0.000 -1.979) 2.076 2.894 ( 4.971 0.000 -1.720) 5.260 3.139 ( -0.608 -0.000 0.141) 0.624 3.196 ( -3.794 -0.000 -3.265) 5.005 3.324 ( -4.765 -0.000 -0.596) 4.802 3.496 ( -1.453 -0.000 3.913) 4.174 3.925 ( 6.221 0.000 -1.166) 6.330 3.925 ( -1.397 -0.000 0.172) 1.408 4.006 ( 1.212 0.000 0.410) 1.280 4.285 ( -5.885 -0.000 1.564) 6.090 4.654 ( 2.134 0.000 0.085) 2.135 5.334 ( 4.736 0.000 0.159) 4.739 6.007 ( -6.114 -0.000 0.315) 6.122 6.982 ( -10.474 -0.000 8.522) 13.503 7.475 ( -0.649 -0.000 -0.121) 0.661 7.477 ( -0.980 -0.000 1.477) 1.773 7.890 ( 2.845 0.000 0.140) 2.849 8.405 ( -4.330 -0.000 -1.365) 4.540 8.573 ( -2.977 -0.000 5.255) 6.040 8.717 ( 6.452 0.000 -2.829) 7.045 8.934 ( 7.608 0.000 -3.753) 8.484 9.437 ( -2.237 -0.000 0.224) 2.249 9.760 ( -0.226 -0.000 -0.317) 0.389 ======================= Grid point 47 (34/324) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 14.512 -3.237 12.027) 19.124 1.015 ( 17.301 -8.517 5.821) 20.143 1.166 ( -6.645 -19.589 -3.041) 20.908 1.650 ( 21.905 -12.008 6.918) 25.920 1.769 ( 5.575 -10.429 2.664) 12.122 1.842 ( -2.813 -2.408 1.627) 4.045 1.983 ( -2.170 -6.864 -7.636) 10.494 2.095 ( -0.607 -1.719 2.799) 3.340 2.229 ( -0.705 -3.004 -0.859) 3.203 2.369 ( 0.060 -2.553 3.199) 4.093 2.478 ( 4.723 -0.003 -5.183) 7.012 2.663 ( 5.400 0.868 4.368) 7.000 2.735 ( 3.443 -0.921 -1.677) 3.939 2.786 ( 0.979 0.895 -1.051) 1.692 2.907 ( -1.963 -2.223 0.010) 2.966 3.070 ( 3.424 2.204 0.627) 4.120 3.290 ( -2.145 -2.299 0.151) 3.148 3.348 ( -6.193 -10.411 -3.717) 12.671 3.479 ( -1.824 0.947 2.736) 3.422 3.893 ( 0.396 1.506 -0.670) 1.695 3.976 ( 4.249 3.778 0.464) 5.705 3.998 ( 1.909 -3.807 -0.238) 4.266 4.255 ( -4.805 0.396 0.936) 4.912 4.618 ( 2.108 3.574 -0.351) 4.164 5.792 ( -7.380 -34.769 -3.688) 35.735 6.073 ( -6.015 -9.850 0.305) 11.545 6.940 ( -8.944 0.133 5.665) 10.588 7.429 ( -0.971 0.315 0.019) 1.021 7.591 ( -1.201 -8.017 1.228) 8.199 7.940 ( 1.852 -3.417 0.213) 3.893 8.384 ( -4.222 -0.662 -1.325) 4.474 8.590 ( -1.713 -1.942 5.304) 5.902 8.686 ( 9.341 4.500 -2.093) 10.578 8.950 ( 6.497 1.170 -2.283) 6.986 9.411 ( -2.038 1.416 0.329) 2.503 9.748 ( -0.413 1.001 -0.347) 1.137 ======================= Grid point 48 (35/324) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 7.136 -4.307 5.562) 10.021 1.194 ( 9.812 -2.699 0.787) 10.207 1.412 ( 7.559 -9.340 -2.418) 12.256 1.775 ( -3.007 -1.649 0.991) 3.570 1.977 ( 6.090 -5.328 -2.966) 8.618 2.059 ( -2.699 -15.764 -0.445) 15.999 2.129 ( -5.076 -3.887 2.018) 6.704 2.240 ( 6.594 -15.706 3.592) 17.409 2.324 ( 3.840 -7.219 2.059) 8.432 2.442 ( -2.246 -4.944 -1.904) 5.755 2.485 ( 7.497 -0.323 -2.759) 7.995 2.638 ( 6.974 5.562 0.323) 8.926 2.765 ( -0.263 -1.094 0.158) 1.136 2.806 ( 5.831 -2.686 2.546) 6.906 2.937 ( -2.044 -1.671 -0.335) 2.661 3.107 ( 1.530 -3.037 3.227) 4.688 3.307 ( -5.292 -0.427 0.473) 5.330 3.481 ( 0.333 -5.656 -0.168) 5.668 3.543 ( -5.773 -9.987 -2.258) 11.755 3.871 ( -0.591 0.819 -0.757) 1.262 3.900 ( 3.794 5.753 0.076) 6.892 4.106 ( 5.182 -5.266 -0.059) 7.388 4.230 ( -4.188 -0.039 0.321) 4.200 4.552 ( 1.946 4.525 -0.511) 4.952 6.282 ( -4.292 -14.783 -0.205) 15.395 6.347 ( -8.113 -28.856 -3.132) 30.138 6.935 ( -8.403 -3.890 2.707) 9.647 7.455 ( -0.853 -3.121 -0.182) 3.241 7.751 ( -2.050 -9.581 0.620) 9.817 8.024 ( 1.454 -4.785 0.077) 5.002 8.400 ( -2.754 -3.544 -0.868) 4.571 8.630 ( 2.990 -0.399 2.867) 4.162 8.690 ( 5.500 -1.735 0.028) 5.767 8.948 ( 5.020 1.619 -1.239) 5.419 9.373 ( -2.073 1.527 0.397) 2.605 9.719 ( -0.520 1.785 -0.351) 1.892 ======================= Grid point 49 (36/324) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -2.317 4.338 -1.527) 5.149 1.330 ( 7.743 -7.951 0.582) 11.113 1.607 ( 10.889 -6.720 -2.529) 13.043 1.822 ( -2.067 -4.659 0.672) 5.141 2.049 ( 4.989 -0.631 -1.942) 5.391 2.168 ( -5.663 -3.522 0.697) 6.705 2.245 ( -4.047 -6.580 -2.581) 8.145 2.367 ( -1.299 -0.347 -1.133) 1.758 2.505 ( 2.059 -7.023 0.008) 7.318 2.565 ( 3.979 2.150 -2.207) 5.033 2.578 ( 5.663 -4.209 0.437) 7.069 2.658 ( 4.014 -10.693 3.691) 12.003 2.786 ( 1.909 -0.846 1.161) 2.389 2.898 ( 2.809 -5.559 0.776) 6.276 3.023 ( 4.354 -6.986 4.071) 9.183 3.136 ( -2.853 1.313 2.246) 3.861 3.288 ( -5.171 -1.982 0.551) 5.566 3.615 ( 1.108 -7.140 -1.241) 7.332 3.671 ( -4.905 -6.283 -0.441) 7.984 3.790 ( -0.072 5.580 0.196) 5.584 3.887 ( 4.999 -0.741 -1.517) 5.276 4.185 ( 0.223 0.271 -0.338) 0.487 4.259 ( 1.280 -5.251 0.071) 5.405 4.470 ( 1.335 4.811 -0.520) 5.020 6.540 ( -0.953 -13.903 0.347) 13.940 6.773 ( -7.218 -19.868 -1.462) 21.189 7.047 ( -6.956 -13.632 -0.085) 15.304 7.502 ( -2.074 -1.873 -0.098) 2.796 7.945 ( -0.967 -12.566 -0.408) 12.610 8.143 ( 1.737 -7.225 -0.040) 7.431 8.483 ( -0.960 -6.073 -0.401) 6.161 8.660 ( 4.298 -0.733 1.355) 4.565 8.770 ( 1.654 -3.859 0.362) 4.214 8.938 ( 3.788 1.485 -0.464) 4.095 9.341 ( -2.043 0.756 0.393) 2.214 9.677 ( -0.450 2.273 -0.333) 2.341 ======================= Grid point 50 (37/324) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -3.691 3.006 -2.971) 5.611 1.521 ( 2.067 -9.092 -1.178) 9.398 1.750 ( 7.017 -4.516 -2.790) 8.799 1.915 ( 2.979 -3.506 0.861) 4.681 2.048 ( 4.382 2.146 -0.638) 4.921 2.212 ( -3.613 -4.225 1.757) 5.830 2.303 ( -5.292 -2.888 -3.439) 6.941 2.365 ( 1.352 -1.111 -2.924) 3.408 2.539 ( 2.182 1.284 -0.553) 2.592 2.614 ( -3.501 -2.869 2.480) 5.162 2.666 ( 7.443 -2.926 1.177) 8.084 2.772 ( -0.336 -2.086 0.180) 2.121 2.812 ( 3.600 -0.541 -0.750) 3.717 3.061 ( -0.823 -4.806 0.627) 4.916 3.078 ( -5.811 -0.428 1.899) 6.128 3.193 ( 5.210 -6.658 3.059) 8.990 3.337 ( -2.242 -5.168 0.233) 5.639 3.675 ( 3.504 4.144 0.086) 5.427 3.739 ( -4.304 -3.647 0.412) 5.657 3.750 ( -0.422 -4.424 0.344) 4.457 3.941 ( 5.959 -1.934 -1.278) 6.394 4.159 ( -1.674 1.517 -0.277) 2.275 4.331 ( 2.303 1.351 -0.407) 2.701 4.410 ( 0.387 -0.125 -0.340) 0.530 6.780 ( 1.748 -11.371 0.597) 11.520 7.016 ( -8.828 -13.131 -0.831) 15.845 7.359 ( -2.343 -19.226 -1.083) 19.399 7.497 ( -2.717 0.536 -0.068) 2.770 8.203 ( 0.737 -14.564 -0.845) 14.607 8.306 ( 1.337 -9.361 -0.005) 9.456 8.599 ( 1.333 -5.875 -0.191) 6.027 8.704 ( 1.743 -1.990 1.215) 2.911 8.828 ( -0.774 -1.839 -0.802) 2.151 8.933 ( 3.279 0.965 0.284) 3.430 9.331 ( -1.890 -0.709 0.330) 2.045 9.631 ( -0.123 2.422 -0.286) 2.441 ======================= Grid point 51 (38/324) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -3.082 -3.864 -1.930) 5.307 1.659 ( -1.117 -4.666 -1.127) 4.928 1.820 ( 7.638 1.336 -2.891) 8.276 1.930 ( 0.582 0.067 0.637) 0.866 2.086 ( 2.524 -3.202 1.179) 4.244 2.291 ( -2.592 -3.532 1.433) 4.609 2.315 ( -2.512 -3.257 -3.090) 5.144 2.403 ( 4.093 -1.470 -4.196) 6.043 2.518 ( -2.393 0.808 1.995) 3.219 2.630 ( -3.075 -0.565 1.817) 3.616 2.741 ( 5.083 -0.355 -0.136) 5.097 2.778 ( 0.973 -0.914 0.657) 1.488 2.855 ( 1.236 -2.392 -0.489) 2.737 3.046 ( -2.528 -0.517 1.640) 3.057 3.098 ( -3.946 0.787 -1.373) 4.252 3.305 ( 2.743 -2.336 1.458) 3.887 3.438 ( -1.210 -5.456 -0.191) 5.592 3.637 ( 2.695 0.999 0.295) 2.890 3.759 ( -2.013 -0.539 1.487) 2.560 3.846 ( 1.347 -4.320 0.717) 4.582 3.992 ( 3.885 -0.698 -0.839) 4.035 4.118 ( -0.824 1.896 -0.106) 2.071 4.265 ( -0.480 3.893 -0.657) 3.977 4.443 ( 0.925 -1.277 -0.118) 1.582 6.987 ( 2.382 -9.941 0.477) 10.233 7.193 ( -7.157 -9.061 -0.737) 11.570 7.478 ( -1.289 -1.175 -0.454) 1.802 7.669 ( -0.627 -13.654 -0.315) 13.672 8.461 ( 1.727 -12.042 -0.937) 12.201 8.496 ( 0.492 -9.930 0.040) 9.942 8.697 ( 4.518 -2.607 0.348) 5.228 8.755 ( -2.401 -3.715 0.702) 4.479 8.832 ( -2.031 0.138 -0.987) 2.263 8.926 ( 2.121 1.555 0.349) 2.653 9.349 ( -1.534 -2.038 0.200) 2.559 9.586 ( 0.333 2.324 -0.206) 2.356 ======================= Grid point 52 (39/324) ======================= q-point: ( 0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -1.646 -9.713 -0.502) 9.865 1.617 ( 3.275 8.692 -0.115) 9.289 1.843 ( 1.407 -3.134 -1.973) 3.962 1.963 ( -3.060 -2.372 0.677) 3.930 2.129 ( 1.346 0.510 0.395) 1.493 2.313 ( -1.612 -1.585 -0.524) 2.320 2.367 ( 1.069 -0.359 -0.697) 1.325 2.437 ( 3.886 -1.164 -1.603) 4.362 2.519 ( -3.571 -2.435 0.992) 4.434 2.615 ( -1.128 0.802 0.631) 1.521 2.756 ( 3.582 -1.090 -0.859) 3.842 2.846 ( -0.429 -4.357 1.820) 4.741 2.893 ( 0.625 -0.984 0.184) 1.180 3.020 ( -3.870 3.587 0.170) 5.279 3.060 ( -1.042 -0.019 -1.396) 1.743 3.328 ( 0.949 -0.207 0.319) 1.023 3.522 ( 3.055 -2.852 0.963) 4.288 3.641 ( -1.937 -0.454 -0.911) 2.188 3.741 ( -0.204 2.163 0.884) 2.345 3.913 ( 1.854 -1.488 1.299) 2.709 3.994 ( 0.285 1.373 -0.776) 1.602 4.090 ( 0.478 0.829 -0.219) 0.982 4.208 ( -1.053 1.295 -0.249) 1.687 4.456 ( 0.478 0.119 -0.057) 0.496 7.174 ( 2.700 -7.461 0.242) 7.938 7.246 ( -4.475 -1.799 -0.295) 4.832 7.554 ( -0.412 -6.604 -0.312) 6.624 7.846 ( -0.091 -5.465 -0.050) 5.466 8.615 ( -1.088 -2.332 -0.165) 2.579 8.670 ( 2.557 -8.103 -0.684) 8.524 8.753 ( 3.689 -1.499 0.983) 4.102 8.809 ( -0.984 0.404 -1.477) 1.820 8.824 ( -3.154 -4.517 0.950) 5.591 8.895 ( 0.500 2.407 0.135) 2.462 9.389 ( -0.958 -2.739 0.095) 2.904 9.545 ( 0.526 2.406 -0.118) 2.465 ======================= Grid point 53 (40/324) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -0.238 -12.329 0.068) 12.332 1.443 ( 1.898 10.246 0.084) 10.421 1.905 ( 1.823 -1.945 -0.402) 2.696 1.952 ( -4.199 2.246 -0.069) 4.763 2.093 ( -0.081 2.254 0.046) 2.256 2.327 ( 0.709 3.803 0.104) 3.870 2.338 ( -0.494 -0.855 -0.070) 0.990 2.491 ( 1.891 -2.817 1.607) 3.754 2.536 ( -1.416 0.229 -1.274) 1.918 2.630 ( 0.253 -3.124 -0.350) 3.154 2.788 ( 4.753 2.741 -0.139) 5.488 2.895 ( 0.316 0.994 0.016) 1.043 2.923 ( -4.354 -4.191 1.037) 6.132 2.936 ( -2.196 0.814 -0.407) 2.377 3.040 ( -0.028 1.820 -0.527) 1.895 3.360 ( 0.821 -3.057 0.005) 3.165 3.552 ( 4.589 2.925 3.084) 6.255 3.617 ( -3.854 1.665 -3.646) 5.560 3.704 ( -0.495 0.392 0.408) 0.752 3.916 ( 2.202 2.310 2.141) 3.843 3.953 ( -1.831 2.085 -1.725) 3.267 4.091 ( 0.291 -0.762 -0.053) 0.818 4.205 ( -0.337 -1.046 0.049) 1.100 4.448 ( 0.109 0.794 -0.001) 0.802 7.169 ( -0.631 3.989 -0.092) 4.040 7.375 ( 0.653 -8.716 0.084) 8.740 7.668 ( 0.472 -4.824 0.025) 4.847 7.875 ( -0.348 2.066 -0.001) 2.095 8.585 ( -0.853 3.601 -0.095) 3.702 8.688 ( -0.289 5.357 0.144) 5.367 8.805 ( 1.590 0.569 0.010) 1.689 8.821 ( 0.721 0.252 -0.128) 0.775 8.868 ( 0.104 -2.533 -0.763) 2.647 8.897 ( -1.321 -3.528 0.808) 3.853 9.441 ( -0.356 -3.162 0.041) 3.182 9.499 ( 0.297 2.776 -0.044) 2.793 ======================= Grid point 54 (41/324) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -0.000 7.482 0.000) 7.482 1.415 ( 0.000 -12.770 -0.000) 12.770 1.792 ( -0.000 11.105 0.000) 11.105 1.966 ( 0.000 -2.305 -0.000) 2.305 2.074 ( -0.000 0.251 0.000) 0.251 2.211 ( -0.000 8.580 0.000) 8.580 2.360 ( 0.000 -1.023 -0.000) 1.023 2.513 ( -0.000 0.833 0.000) 0.833 2.545 ( 0.000 -0.876 -0.000) 0.876 2.671 ( -0.000 7.660 0.000) 7.660 2.701 ( 0.000 -3.811 -0.000) 3.811 2.859 ( -0.000 2.973 0.000) 2.973 2.915 ( -0.000 2.868 0.000) 2.868 3.011 ( 0.000 -0.003 -0.000) 0.003 3.028 ( 0.000 -6.938 -0.000) 6.938 3.439 ( 0.000 -3.827 -0.000) 3.827 3.469 ( -0.000 6.516 0.000) 6.516 3.519 ( -0.000 6.916 0.000) 6.916 3.722 ( 0.000 -1.393 -0.000) 1.393 3.865 ( -0.000 4.073 0.000) 4.073 3.915 ( -0.000 0.462 0.000) 0.462 4.119 ( 0.000 -2.104 -0.000) 2.104 4.233 ( 0.000 -1.858 -0.000) 1.858 4.428 ( -0.000 1.547 0.000) 1.547 7.074 ( -0.000 5.979 0.000) 5.979 7.519 ( 0.000 -6.181 -0.000) 6.181 7.724 ( 0.000 -0.763 -0.000) 0.763 7.776 ( -0.000 8.023 0.000) 8.023 8.494 ( -0.000 5.773 0.000) 5.773 8.548 ( -0.000 9.103 0.000) 9.103 8.757 ( -0.000 4.967 0.000) 4.967 8.772 ( -0.000 2.968 0.000) 2.968 8.926 ( 0.000 -1.277 -0.000) 1.277 8.927 ( -0.000 0.070 0.000) 0.070 9.448 ( -0.000 2.519 0.000) 2.519 9.501 ( 0.000 -3.396 -0.000) 3.396 ======================= Grid point 61 (42/324) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -4.173 -0.000 -0.926) 4.275 0.887 ( 13.698 0.000 12.689) 18.672 1.020 ( 18.211 0.000 11.771) 21.684 1.639 ( 0.808 0.000 4.566) 4.637 1.720 ( 30.223 0.000 4.938) 30.624 1.837 ( -1.890 -0.000 1.880) 2.665 1.881 ( -4.273 -0.000 -10.527) 11.361 2.096 ( 1.024 0.000 4.843) 4.950 2.175 ( -2.444 -0.000 -4.528) 5.145 2.356 ( -0.362 -0.000 4.644) 4.658 2.496 ( 5.634 0.000 -3.530) 6.649 2.693 ( -1.969 -0.000 -3.483) 4.001 2.703 ( 4.051 0.000 6.285) 7.478 2.808 ( 4.378 0.000 -0.835) 4.457 2.927 ( 2.129 0.000 -1.806) 2.792 3.133 ( -0.703 -0.000 -0.004) 0.703 3.153 ( -1.771 -0.000 -2.150) 2.785 3.274 ( -4.196 -0.000 -1.366) 4.413 3.489 ( -2.071 -0.000 1.895) 2.808 3.912 ( -1.408 -0.000 0.134) 1.414 3.949 ( -0.332 -0.000 -0.628) 0.711 4.042 ( 4.049 0.000 0.096) 4.050 4.243 ( -2.435 -0.000 0.932) 2.607 4.672 ( 1.262 0.000 0.109) 1.267 5.388 ( 5.897 0.000 0.262) 5.903 5.941 ( -7.286 -0.000 0.211) 7.290 6.914 ( -8.926 -0.000 5.971) 10.739 7.469 ( -0.471 -0.000 -0.116) 0.485 7.470 ( -1.383 -0.000 1.227) 1.849 7.918 ( 2.659 0.000 0.151) 2.663 8.352 ( -4.913 -0.000 -1.642) 5.181 8.572 ( -1.758 -0.000 5.432) 5.710 8.776 ( 7.038 0.000 -1.844) 7.276 8.986 ( 5.381 0.000 -2.773) 6.054 9.418 ( -1.702 -0.000 0.068) 1.703 9.754 ( -0.671 -0.000 -0.378) 0.770 ======================= Grid point 62 (43/324) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 8.442 -2.403 8.615) 12.298 1.089 ( 0.276 -15.851 2.120) 15.994 1.227 ( 15.598 -10.655 4.461) 19.410 1.750 ( 1.117 -6.484 4.070) 7.736 1.801 ( -5.009 -2.845 -1.394) 5.926 1.882 ( 3.624 -4.871 -5.244) 8.023 1.989 ( 8.233 -9.595 0.452) 12.651 2.114 ( 5.634 -2.134 5.334) 8.046 2.224 ( 0.407 -5.811 -1.065) 5.922 2.371 ( -1.426 -1.293 1.605) 2.506 2.516 ( 5.957 0.269 -2.693) 6.543 2.706 ( 0.572 -3.026 -0.260) 3.091 2.764 ( 4.683 0.621 0.759) 4.785 2.818 ( 3.837 0.005 0.115) 3.839 2.880 ( -2.163 0.631 -0.827) 2.400 3.109 ( 2.478 0.976 2.422) 3.600 3.261 ( -3.236 -1.533 -1.525) 3.892 3.284 ( -3.471 -10.827 -1.787) 11.509 3.465 ( -2.302 0.996 0.619) 2.584 3.880 ( -1.859 1.181 -0.397) 2.238 3.992 ( 0.302 0.114 0.199) 0.379 4.034 ( 1.829 -1.703 -0.076) 2.500 4.230 ( 0.334 1.098 0.511) 1.257 4.636 ( 1.517 3.510 -0.179) 3.828 5.741 ( -1.437 -28.601 -1.963) 28.704 6.011 ( -6.583 -10.773 0.219) 12.627 6.877 ( -7.534 0.212 4.158) 8.608 7.420 ( -0.823 0.301 0.043) 0.877 7.583 ( -1.287 -7.631 0.792) 7.779 7.960 ( 1.853 -2.869 0.132) 3.418 8.335 ( -4.150 -1.331 -1.438) 4.590 8.597 ( -1.049 -2.326 4.843) 5.474 8.768 ( 8.543 3.401 -1.443) 9.308 8.993 ( 3.645 1.094 -1.758) 4.192 9.395 ( -1.239 1.468 0.180) 1.929 9.740 ( -0.820 0.958 -0.367) 1.314 ======================= Grid point 63 (44/324) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 2.973 1.804 4.134) 5.402 1.274 ( 7.244 -4.291 2.074) 8.672 1.514 ( 12.387 -9.690 -1.413) 15.790 1.746 ( -3.697 -1.463 0.967) 4.092 1.990 ( -0.610 -8.983 -5.716) 10.664 2.027 ( -1.094 -9.837 0.411) 9.906 2.076 ( -6.340 -4.798 0.478) 7.965 2.324 ( 3.792 -7.480 5.076) 9.803 2.349 ( 0.794 -5.542 -3.331) 6.514 2.447 ( 5.298 -9.890 2.811) 11.566 2.556 ( 7.413 -1.925 -0.582) 7.681 2.697 ( 3.700 5.442 -0.599) 6.608 2.771 ( 1.948 -1.919 0.098) 2.736 2.868 ( 4.528 -1.309 1.151) 4.852 2.923 ( -0.165 -5.430 0.583) 5.463 3.126 ( -0.022 -1.370 2.774) 3.094 3.255 ( -5.455 0.644 0.596) 5.526 3.474 ( -1.737 -9.674 -0.853) 9.866 3.490 ( -2.646 -6.647 -1.656) 7.343 3.858 ( -0.543 0.748 -0.511) 1.057 3.927 ( 1.176 4.293 -0.239) 4.457 4.146 ( 0.953 -6.972 0.129) 7.038 4.207 ( 1.214 1.680 0.019) 2.073 4.567 ( 1.485 4.591 -0.324) 4.836 6.238 ( -3.755 -17.987 -1.047) 18.405 6.277 ( -4.580 -26.781 -1.084) 27.191 6.869 ( -6.621 -3.179 2.000) 7.612 7.445 ( -0.850 -2.831 -0.115) 2.958 7.734 ( -1.597 -9.377 0.283) 9.516 8.039 ( 1.479 -4.835 -0.014) 5.056 8.368 ( -2.833 -4.457 -0.940) 5.364 8.657 ( 0.026 -2.865 4.123) 5.021 8.759 ( 8.283 1.292 -1.618) 8.538 8.979 ( 1.740 1.469 -0.776) 2.406 9.359 ( -1.032 1.754 0.280) 2.054 9.710 ( -0.799 1.688 -0.316) 1.894 ======================= Grid point 64 (45/324) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -1.409 6.811 -0.619) 6.983 1.401 ( 5.948 -5.642 1.080) 8.269 1.684 ( 5.380 -4.994 -3.174) 7.997 1.825 ( 2.768 -6.525 1.595) 7.265 2.081 ( 2.475 -2.222 -1.493) 3.646 2.120 ( -4.023 -4.245 0.380) 5.861 2.187 ( -5.088 -6.068 -2.179) 8.213 2.346 ( -1.294 -0.589 -1.908) 2.379 2.520 ( 0.470 -7.251 2.569) 7.707 2.588 ( 2.576 1.882 -2.444) 4.019 2.648 ( 6.138 -3.567 1.838) 7.333 2.699 ( 2.338 -4.552 1.312) 5.283 2.812 ( 2.822 -2.263 0.094) 3.618 2.924 ( 1.895 -4.843 0.378) 5.214 3.077 ( 3.255 -8.391 2.270) 9.282 3.111 ( -3.499 3.316 1.851) 5.164 3.247 ( -3.207 -3.429 0.838) 4.770 3.612 ( -0.826 -7.387 -1.180) 7.526 3.628 ( -3.162 -7.028 0.096) 7.707 3.794 ( 0.922 5.520 0.106) 5.597 3.921 ( 2.888 -2.312 -1.204) 3.891 4.174 ( -1.662 1.201 -0.160) 2.057 4.286 ( 3.257 -5.800 0.014) 6.652 4.478 ( 0.657 5.353 -0.355) 5.405 6.537 ( 0.148 -15.832 0.248) 15.835 6.704 ( -5.620 -18.230 -0.860) 19.096 6.989 ( -4.546 -14.899 -0.101) 15.577 7.483 ( -1.582 -1.230 -0.086) 2.006 7.936 ( -0.538 -13.183 -0.319) 13.198 8.158 ( 1.380 -7.228 -0.105) 7.360 8.466 ( -1.668 -7.067 -0.528) 7.280 8.707 ( 2.587 -1.094 3.169) 4.235 8.792 ( 3.561 -1.350 -2.039) 4.320 8.961 ( 0.899 0.849 0.056) 1.238 9.327 ( -1.033 1.008 0.265) 1.467 9.671 ( -0.553 2.097 -0.245) 2.182 ======================= Grid point 65 (46/324) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -1.969 3.507 -1.628) 4.339 1.536 ( 1.406 -6.566 -0.298) 6.722 1.783 ( 1.903 -4.810 -2.088) 5.579 1.970 ( 6.757 -4.507 0.770) 8.159 2.081 ( 2.050 3.327 -0.176) 3.912 2.187 ( -2.671 -5.232 2.148) 6.254 2.231 ( -5.492 -3.225 -3.377) 7.209 2.369 ( 0.950 -2.312 -1.653) 2.997 2.555 ( 1.500 2.285 -1.117) 2.952 2.594 ( -2.522 -1.559 2.497) 3.876 2.732 ( 4.135 -2.683 2.044) 5.336 2.768 ( -0.005 -2.727 -0.552) 2.783 2.853 ( 5.482 0.792 -1.961) 5.876 3.023 ( -6.009 -1.834 1.503) 6.460 3.051 ( -1.350 -1.795 0.383) 2.279 3.244 ( 3.124 -7.154 1.445) 7.939 3.321 ( -1.084 -4.701 0.323) 4.835 3.699 ( -0.509 0.337 0.171) 0.634 3.706 ( -0.514 -0.205 0.445) 0.710 3.750 ( 0.082 -6.229 -0.017) 6.229 3.986 ( 3.630 -2.205 -0.839) 4.329 4.142 ( -1.473 1.329 -0.008) 1.984 4.352 ( 2.142 3.931 -0.275) 4.485 4.409 ( -0.431 -1.735 -0.172) 1.796 6.809 ( 3.626 -11.502 0.664) 12.079 6.931 ( -7.572 -13.300 -0.791) 15.325 7.338 ( -1.151 -20.364 -0.574) 20.404 7.476 ( -1.503 0.665 -0.051) 1.645 8.205 ( 0.317 -15.077 -0.435) 15.087 8.318 ( 0.948 -9.179 -0.086) 9.228 8.596 ( -0.780 -7.274 -0.388) 7.326 8.742 ( 3.444 -0.467 2.431) 4.241 8.813 ( -1.095 -0.589 -2.060) 2.406 8.957 ( 1.333 0.527 0.329) 1.471 9.317 ( -1.019 -0.573 0.187) 1.184 9.628 ( -0.156 2.178 -0.162) 2.190 ======================= Grid point 66 (47/324) ======================= q-point: ( 0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -1.077 -4.142 -0.719) 4.340 1.648 ( -0.410 -4.657 -0.374) 4.690 1.871 ( 3.664 -2.704 -1.583) 4.821 1.934 ( -0.181 6.528 0.765) 6.575 2.109 ( 1.117 -3.227 0.641) 3.474 2.260 ( -2.209 -3.070 -0.445) 3.808 2.299 ( -0.321 -5.995 -0.295) 6.010 2.424 ( 2.344 -2.930 -2.287) 4.395 2.501 ( -1.989 2.830 1.458) 3.754 2.612 ( -1.186 -0.920 0.583) 1.610 2.778 ( 1.540 1.908 -0.638) 2.534 2.792 ( 1.429 -2.169 1.224) 2.872 2.862 ( 0.550 -1.818 -0.645) 2.006 3.033 ( -0.878 -1.386 1.194) 2.029 3.061 ( -2.171 0.915 -0.992) 2.557 3.335 ( 1.764 -0.349 0.699) 1.929 3.422 ( -1.168 -7.196 -0.299) 7.296 3.657 ( 1.026 1.779 0.099) 2.056 3.748 ( -0.907 -1.499 0.529) 1.830 3.858 ( 0.579 -4.822 0.351) 4.870 4.017 ( 1.544 0.267 -0.425) 1.624 4.112 ( -0.317 1.255 0.099) 1.298 4.259 ( -0.265 4.603 -0.283) 4.620 4.449 ( 0.331 -1.269 -0.041) 1.312 7.012 ( 1.844 -9.656 0.299) 9.835 7.134 ( -3.521 -9.813 -0.393) 10.433 7.468 ( -0.437 -1.489 -0.163) 1.560 7.664 ( -0.231 -14.065 -0.107) 14.068 8.467 ( 0.301 -12.048 -0.278) 12.055 8.503 ( 0.608 -10.021 -0.077) 10.039 8.716 ( -0.182 -5.660 -0.364) 5.675 8.764 ( 2.575 0.054 1.796) 3.140 8.804 ( -2.440 -0.034 -1.377) 2.802 8.942 ( 0.736 1.870 0.119) 2.013 9.339 ( -0.596 -2.064 0.074) 2.150 9.588 ( 0.109 2.123 -0.074) 2.127 ======================= Grid point 67 (48/324) ======================= q-point: ( 0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.000 -9.995 -0.000) 9.995 1.632 ( -0.000 7.699 0.000) 7.699 1.852 ( 0.000 -1.543 -0.000) 1.543 1.944 ( 0.000 -2.206 -0.000) 2.206 2.137 ( -0.000 0.921 0.000) 0.921 2.304 ( 0.000 -2.139 -0.000) 2.139 2.371 ( 0.000 -0.550 -0.000) 0.550 2.461 ( 0.000 -0.272 -0.000) 0.272 2.494 ( 0.000 -3.518 -0.000) 3.518 2.611 ( -0.000 0.445 0.000) 0.445 2.773 ( 0.000 -1.987 -0.000) 1.987 2.851 ( 0.000 -3.396 -0.000) 3.396 2.895 ( 0.000 -1.039 -0.000) 1.039 2.998 ( -0.000 4.517 0.000) 4.517 3.052 ( 0.000 -0.326 -0.000) 0.326 3.334 ( 0.000 -0.115 -0.000) 0.115 3.541 ( 0.000 -5.274 -0.000) 5.274 3.627 ( -0.000 1.996 0.000) 1.996 3.741 ( -0.000 1.981 0.000) 1.981 3.926 ( 0.000 -1.979 -0.000) 1.979 3.993 ( -0.000 2.345 0.000) 2.345 4.093 ( -0.000 0.752 0.000) 0.752 4.202 ( -0.000 1.183 0.000) 1.183 4.459 ( -0.000 0.181 0.000) 0.181 7.200 ( 0.000 -9.868 -0.000) 9.868 7.211 ( -0.000 0.079 0.000) 0.079 7.551 ( 0.000 -6.768 -0.000) 6.768 7.846 ( 0.000 -5.474 -0.000) 5.474 8.609 ( 0.000 -2.191 -0.000) 2.191 8.682 ( 0.000 -7.917 -0.000) 7.917 8.784 ( -0.000 0.964 0.000) 0.964 8.790 ( 0.000 -2.111 -0.000) 2.111 8.809 ( 0.000 -4.760 -0.000) 4.760 8.898 ( -0.000 2.803 0.000) 2.803 9.384 ( 0.000 -2.805 -0.000) 2.805 9.547 ( -0.000 2.348 0.000) 2.348 ======================= Grid point 77 (49/324) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -3.948 -0.000 -1.064) 4.089 1.065 ( 11.981 0.000 11.736) 16.771 1.234 ( 16.466 0.000 9.312) 18.916 1.656 ( -0.630 -0.000 1.486) 1.614 1.789 ( -5.034 -0.000 0.481) 5.056 1.806 ( -3.232 -0.000 -7.204) 7.896 2.003 ( 16.403 0.000 2.133) 16.542 2.133 ( -2.328 -0.000 -4.342) 4.926 2.147 ( 7.841 0.000 6.870) 10.424 2.365 ( -0.125 -0.000 1.955) 1.959 2.541 ( 5.212 0.000 -1.269) 5.364 2.660 ( -1.583 -0.000 -3.219) 3.587 2.761 ( 3.151 0.000 4.689) 5.649 2.837 ( 0.287 0.000 -3.701) 3.712 2.922 ( 0.586 0.000 -0.963) 1.127 3.125 ( -0.674 -0.000 -0.157) 0.692 3.147 ( -1.034 -0.000 1.807) 2.082 3.244 ( 0.835 0.000 -1.581) 1.788 3.472 ( -1.936 -0.000 -0.076) 1.937 3.899 ( -1.139 -0.000 0.080) 1.141 3.926 ( -3.658 -0.000 -0.433) 3.684 4.049 ( -2.245 -0.000 0.180) 2.252 4.264 ( 5.415 0.000 0.293) 5.423 4.679 ( 0.214 0.000 0.065) 0.223 5.451 ( 6.463 0.000 0.328) 6.472 5.867 ( -7.585 -0.000 0.050) 7.585 6.856 ( -6.573 -0.000 4.008) 7.698 7.461 ( -1.334 -0.000 0.856) 1.585 7.465 ( -0.277 -0.000 -0.089) 0.291 7.942 ( 2.024 0.000 0.128) 2.028 8.300 ( -4.031 -0.000 -1.406) 4.269 8.578 ( -0.997 -0.000 4.206) 4.323 8.840 ( 6.890 0.000 -1.046) 6.969 9.014 ( 1.960 0.000 -1.743) 2.623 9.406 ( -0.533 -0.000 -0.056) 0.536 9.744 ( -0.959 -0.000 -0.357) 1.023 ======================= Grid point 78 (50/324) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -3.193 -13.352 -0.384) 13.733 1.206 ( 12.013 -6.272 10.232) 16.980 1.386 ( 12.260 -7.430 3.097) 14.667 1.727 ( -6.714 -1.206 -3.710) 7.765 1.763 ( -0.888 -7.256 1.193) 7.407 1.871 ( -0.301 -7.640 -1.830) 7.862 1.999 ( -2.585 0.872 -1.309) 3.025 2.219 ( 0.270 -6.167 1.523) 6.358 2.265 ( 11.265 -5.459 0.811) 12.544 2.376 ( 3.829 -1.360 3.544) 5.392 2.567 ( 4.955 -0.434 -0.491) 4.999 2.697 ( -0.394 -4.349 -2.781) 5.177 2.786 ( -3.556 2.255 -2.852) 5.085 2.833 ( 2.211 -4.295 2.500) 5.439 2.902 ( 5.305 2.044 0.491) 5.706 3.123 ( -1.974 0.575 2.466) 3.211 3.224 ( -2.464 -4.887 -1.185) 5.600 3.272 ( 1.398 -5.196 -0.145) 5.383 3.442 ( -2.084 1.047 -1.013) 2.542 3.861 ( -1.431 0.810 -0.359) 1.683 3.995 ( 0.094 -1.703 0.128) 1.710 4.016 ( -4.231 -2.174 0.033) 4.757 4.265 ( 4.882 2.491 0.171) 5.483 4.646 ( 0.706 3.120 -0.088) 3.201 5.738 ( 1.695 -23.971 -0.958) 24.050 5.948 ( -6.066 -11.875 0.124) 13.335 6.827 ( -5.016 0.366 2.613) 5.668 7.413 ( -0.592 0.303 0.048) 0.667 7.574 ( -0.949 -7.313 0.426) 7.387 7.976 ( 1.371 -2.593 0.069) 2.934 8.294 ( -2.979 -1.736 -1.047) 3.603 8.606 ( -0.562 -2.500 3.245) 4.135 8.843 ( 7.366 2.588 -0.798) 7.848 9.006 ( -0.014 1.088 -1.016) 1.489 9.389 ( -0.103 1.546 0.046) 1.550 9.730 ( -0.900 0.913 -0.291) 1.315 ======================= Grid point 79 (51/324) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.079 3.143 1.531) 3.497 1.366 ( 8.080 -2.913 3.563) 9.299 1.600 ( 3.817 -6.829 -2.628) 8.253 1.727 ( 1.072 -4.952 1.531) 5.293 1.952 ( -2.355 -10.868 -3.580) 11.682 2.005 ( -5.172 -4.494 0.389) 6.863 2.039 ( -0.085 -8.273 -0.006) 8.274 2.319 ( -1.488 -0.940 -2.546) 3.095 2.367 ( 1.011 -8.930 2.234) 9.261 2.537 ( 7.997 -7.345 3.817) 11.509 2.617 ( 4.428 -2.574 -0.117) 5.124 2.697 ( -1.586 1.506 -2.311) 3.181 2.798 ( 2.154 -1.136 0.308) 2.455 2.899 ( 1.995 -0.795 0.085) 2.149 2.944 ( 2.407 -6.109 1.125) 6.662 3.133 ( 0.084 -1.555 1.622) 2.248 3.207 ( -4.473 2.232 0.596) 5.034 3.447 ( -2.061 -10.349 -0.389) 10.560 3.473 ( -0.609 -5.987 -1.279) 6.152 3.860 ( 1.342 -0.503 -0.347) 1.475 3.923 ( -1.434 4.024 -0.157) 4.275 4.132 ( -2.047 -6.310 0.083) 6.635 4.242 ( 3.598 1.103 -0.027) 3.764 4.578 ( 0.787 4.626 -0.155) 4.696 6.206 ( -1.797 -18.958 -0.844) 19.061 6.241 ( -2.352 -26.174 -0.192) 26.280 6.823 ( -3.652 -2.667 1.078) 4.649 7.438 ( -0.547 -2.552 -0.053) 2.610 7.722 ( -0.846 -9.346 0.094) 9.385 8.051 ( 0.969 -4.868 -0.034) 4.963 8.341 ( -1.760 -4.877 -0.544) 5.213 8.668 ( -0.169 -3.462 2.288) 4.153 8.830 ( 6.642 2.163 -1.020) 7.060 8.977 ( -1.411 1.152 -0.214) 1.834 9.354 ( -0.078 1.988 0.124) 1.994 9.702 ( -0.635 1.596 -0.192) 1.729 ======================= Grid point 80 (52/324) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -0.474 8.001 -0.151) 8.016 1.450 ( 2.684 -3.672 0.661) 4.596 1.692 ( -0.110 -4.852 -1.328) 5.032 1.876 ( 4.165 -7.128 0.554) 8.274 2.078 ( -1.571 -5.530 0.695) 5.790 2.099 ( -0.889 -5.260 -0.933) 5.416 2.143 ( -1.702 -2.761 -1.038) 3.405 2.331 ( -0.509 -1.524 -0.795) 1.792 2.533 ( 0.194 -6.326 1.454) 6.494 2.597 ( 0.853 1.781 -1.173) 2.297 2.697 ( 1.718 -2.549 1.812) 3.569 2.719 ( 1.441 -2.963 -0.578) 3.345 2.837 ( 1.771 -4.073 -0.162) 4.444 2.937 ( 0.548 -2.761 -0.059) 2.815 3.084 ( -1.761 2.359 0.827) 3.058 3.104 ( 0.516 -6.139 0.533) 6.184 3.233 ( -0.456 -5.169 0.612) 5.225 3.594 ( -1.331 -6.589 0.013) 6.722 3.612 ( -0.495 -7.993 -0.421) 8.019 3.804 ( 0.719 5.606 0.084) 5.652 3.935 ( 0.792 -3.916 -0.495) 4.026 4.159 ( -0.835 1.030 -0.045) 1.327 4.312 ( 1.521 -5.460 0.011) 5.667 4.481 ( 0.144 5.888 -0.131) 5.891 6.542 ( 0.496 -18.002 0.104) 18.009 6.660 ( -2.426 -15.928 -0.291) 16.115 6.958 ( -1.569 -15.798 -0.047) 15.875 7.472 ( -0.589 -0.908 -0.034) 1.083 7.931 ( -0.170 -13.498 -0.119) 13.500 8.168 ( 0.550 -7.219 -0.052) 7.240 8.452 ( -0.735 -7.344 -0.202) 7.384 8.730 ( 0.446 -2.584 1.555) 3.048 8.819 ( 2.473 1.491 -1.300) 3.167 8.961 ( -0.474 -0.087 0.202) 0.522 9.322 ( -0.223 1.273 0.088) 1.295 9.666 ( -0.256 1.971 -0.091) 1.990 ======================= Grid point 81 (53/324) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -0.000 3.722 0.000) 3.722 1.543 ( 0.000 -5.585 -0.000) 5.585 1.786 ( 0.000 -5.198 -0.000) 5.198 2.020 ( 0.000 -6.583 -0.000) 6.583 2.085 ( -0.000 6.023 0.000) 6.023 2.182 ( 0.000 -4.267 -0.000) 4.267 2.188 ( 0.000 -5.132 -0.000) 5.132 2.370 ( 0.000 -2.718 -0.000) 2.718 2.559 ( -0.000 2.501 0.000) 2.501 2.586 ( 0.000 -0.801 -0.000) 0.801 2.756 ( 0.000 -3.787 -0.000) 3.787 2.769 ( 0.000 -1.681 -0.000) 1.681 2.885 ( -0.000 2.032 0.000) 2.032 2.988 ( 0.000 -2.841 -0.000) 2.841 3.044 ( 0.000 -1.198 -0.000) 1.198 3.263 ( 0.000 -8.727 -0.000) 8.727 3.317 ( 0.000 -2.988 -0.000) 2.988 3.688 ( 0.000 -4.230 -0.000) 4.230 3.713 ( -0.000 4.050 0.000) 4.050 3.750 ( 0.000 -6.762 -0.000) 6.762 4.003 ( 0.000 -2.407 -0.000) 2.407 4.134 ( -0.000 1.254 0.000) 1.254 4.364 ( -0.000 6.326 0.000) 6.326 4.405 ( 0.000 -3.707 -0.000) 3.707 6.849 ( 0.000 -8.693 -0.000) 8.693 6.870 ( 0.000 -16.230 -0.000) 16.230 7.332 ( 0.000 -20.759 -0.000) 20.759 7.468 ( -0.000 0.714 0.000) 0.714 8.206 ( 0.000 -15.216 -0.000) 15.216 8.323 ( 0.000 -9.153 -0.000) 9.153 8.591 ( 0.000 -7.396 -0.000) 7.396 8.774 ( 0.000 -1.641 -0.000) 1.641 8.795 ( -0.000 1.277 0.000) 1.277 8.964 ( -0.000 0.247 0.000) 0.247 9.312 ( 0.000 -0.471 -0.000) 0.471 9.627 ( -0.000 2.077 0.000) 2.077 ======================= Grid point 93 (54/324) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -2.277 -0.000 -0.612) 2.357 1.209 ( 8.144 0.000 8.608) 11.849 1.415 ( 13.336 0.000 6.420) 14.801 1.629 ( -3.116 -0.000 -4.158) 5.196 1.724 ( -7.372 -0.000 -1.356) 7.496 1.773 ( -0.535 -0.000 -0.747) 0.919 2.075 ( 1.476 0.000 1.934) 2.433 2.099 ( -1.513 -0.000 -2.863) 3.238 2.278 ( 7.176 0.000 0.941) 7.237 2.403 ( 8.246 0.000 5.462) 9.891 2.579 ( 1.919 0.000 -0.770) 2.067 2.641 ( 0.528 0.000 -2.289) 2.349 2.768 ( -7.706 -0.000 -5.654) 9.558 2.801 ( 1.757 0.000 2.544) 3.092 2.959 ( 4.904 0.000 0.862) 4.979 3.119 ( -0.439 -0.000 -0.173) 0.472 3.120 ( -4.802 -0.000 1.184) 4.946 3.282 ( 5.109 0.000 0.523) 5.136 3.455 ( -0.834 -0.000 -1.086) 1.369 3.878 ( -4.990 -0.000 -0.441) 5.010 3.890 ( -0.636 -0.000 0.033) 0.637 4.027 ( -1.773 -0.000 0.205) 1.785 4.322 ( 4.950 0.000 0.069) 4.951 4.678 ( -0.366 -0.000 0.018) 0.366 5.514 ( 5.400 0.000 0.279) 5.408 5.797 ( -6.025 -0.000 -0.070) 6.025 6.817 ( -3.498 -0.000 2.057) 4.058 7.452 ( -0.815 -0.000 0.436) 0.924 7.463 ( -0.121 -0.000 -0.048) 0.130 7.958 ( 1.088 0.000 0.074) 1.090 8.264 ( -2.240 -0.000 -0.811) 2.382 8.584 ( -0.461 -0.000 2.265) 2.311 8.900 ( 5.673 0.000 -0.409) 5.688 9.011 ( -1.294 -0.000 -0.855) 1.551 9.406 ( 0.259 0.000 -0.078) 0.271 9.734 ( -0.752 -0.000 -0.223) 0.785 ======================= Grid point 94 (55/324) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -1.270 -14.785 -0.307) 14.843 1.352 ( 8.552 -8.135 8.192) 14.368 1.462 ( 1.450 -1.543 -3.057) 3.719 1.672 ( -0.998 -1.809 -0.273) 2.084 1.739 ( -2.981 -8.996 -1.557) 9.604 1.868 ( 0.054 -8.799 0.512) 8.814 1.971 ( -1.501 3.847 -0.864) 4.219 2.221 ( -0.099 -7.429 0.444) 7.443 2.299 ( 0.266 -0.269 -1.281) 1.335 2.495 ( 10.814 -3.300 6.206) 12.898 2.588 ( -1.488 -1.428 -2.199) 3.015 2.682 ( 0.030 -1.485 -2.807) 3.176 2.726 ( -4.163 -3.363 -0.981) 5.440 2.862 ( 1.291 -3.766 1.065) 4.122 2.950 ( 3.053 2.379 0.219) 3.877 3.102 ( -2.280 -0.778 0.887) 2.567 3.205 ( -0.824 -5.698 -0.282) 5.764 3.294 ( 1.667 -1.069 0.549) 2.055 3.421 ( -0.960 1.124 -0.947) 1.756 3.851 ( -0.431 -0.146 -0.180) 0.489 3.976 ( -2.489 -5.001 0.004) 5.586 3.997 ( 0.009 0.278 0.067) 0.286 4.304 ( 2.306 3.152 0.044) 3.906 4.650 ( 0.146 2.717 -0.029) 2.721 5.756 ( 1.677 -21.326 -0.298) 21.394 5.900 ( -3.077 -12.798 0.051) 13.162 6.800 ( -1.760 0.477 0.900) 2.033 7.409 ( -0.222 0.309 0.021) 0.381 7.568 ( -0.344 -7.136 0.132) 7.145 7.986 ( 0.511 -2.508 0.021) 2.559 8.271 ( -1.085 -1.910 -0.380) 2.230 8.611 ( -0.178 -2.573 1.134) 2.818 8.902 ( 4.254 2.152 -0.243) 4.773 8.990 ( -1.873 1.131 -0.328) 2.212 9.391 ( 0.194 1.598 -0.001) 1.610 9.722 ( -0.408 0.881 -0.113) 0.977 ======================= Grid point 95 (56/324) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.000 2.944 0.000) 2.944 1.426 ( -0.000 0.014 0.000) 0.014 1.590 ( 0.000 -6.773 -0.000) 6.773 1.756 ( 0.000 -7.290 -0.000) 7.290 1.925 ( 0.000 -9.784 -0.000) 9.784 1.977 ( 0.000 -5.521 -0.000) 5.521 2.040 ( 0.000 -8.083 -0.000) 8.083 2.305 ( 0.000 -0.862 -0.000) 0.862 2.376 ( 0.000 -9.158 -0.000) 9.158 2.608 ( 0.000 -1.742 -0.000) 1.742 2.624 ( 0.000 -5.266 -0.000) 5.266 2.677 ( 0.000 -0.717 -0.000) 0.717 2.809 ( 0.000 -1.720 -0.000) 1.720 2.911 ( 0.000 -1.111 -0.000) 1.111 2.959 ( 0.000 -4.951 -0.000) 4.951 3.141 ( 0.000 -3.816 -0.000) 3.816 3.181 ( -0.000 4.753 0.000) 4.753 3.436 ( 0.000 -9.921 -0.000) 9.921 3.467 ( 0.000 -6.274 -0.000) 6.274 3.872 ( 0.000 -2.330 -0.000) 2.330 3.910 ( -0.000 5.147 0.000) 5.147 4.121 ( 0.000 -6.152 -0.000) 6.152 4.261 ( -0.000 1.007 0.000) 1.007 4.581 ( -0.000 4.632 0.000) 4.632 6.196 ( 0.000 -18.390 -0.000) 18.390 6.229 ( 0.000 -26.821 -0.000) 26.821 6.807 ( 0.000 -2.476 -0.000) 2.476 7.435 ( 0.000 -2.440 -0.000) 2.440 7.718 ( 0.000 -9.354 -0.000) 9.354 8.056 ( 0.000 -4.884 -0.000) 4.884 8.331 ( 0.000 -4.999 -0.000) 4.999 8.672 ( 0.000 -3.569 -0.000) 3.569 8.867 ( -0.000 2.582 0.000) 2.582 8.964 ( -0.000 0.788 0.000) 0.788 9.355 ( -0.000 2.088 0.000) 2.088 9.698 ( -0.000 1.556 0.000) 1.556 ======================= Grid point 110 (57/324) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 0.000 0.000 0.000) 0.000 1.273 ( -0.000 -0.000 -0.000) 0.000 1.516 ( -0.000 -0.000 -0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.772 ( 0.000 0.000 0.000) 0.000 2.085 ( -0.000 -0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 -0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.555 ( -0.000 -0.000 -0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.691 ( -0.000 -0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.090 ( -0.000 -0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.449 ( -0.000 -0.000 -0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 3.887 ( -0.000 -0.000 0.000) 0.000 4.019 ( -0.000 -0.000 0.000) 0.000 4.348 ( 0.000 0.000 0.000) 0.000 4.676 ( -0.000 -0.000 0.000) 0.000 5.545 ( -0.000 -0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 8.251 ( -0.000 -0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 8.996 ( -0.000 -0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 205 (58/324) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 8.243 0.000 19.884) 21.525 0.451 ( -11.366 -0.000 20.350) 23.309 0.811 ( 7.515 0.000 36.173) 36.945 0.958 ( -0.932 -0.000 -0.192) 0.952 1.599 ( 2.374 0.000 2.986) 3.814 1.970 ( 5.937 0.000 0.945) 6.011 1.978 ( -4.430 -0.000 -11.653) 12.467 1.985 ( -4.079 -0.000 1.011) 4.202 2.139 ( 2.958 0.000 -8.138) 8.659 2.247 ( -2.051 -0.000 -2.610) 3.319 2.492 ( -0.625 -0.000 5.852) 5.885 2.587 ( 3.408 0.000 7.646) 8.371 2.658 ( -1.639 -0.000 -1.079) 1.963 2.777 ( -2.433 -0.000 -0.130) 2.437 2.870 ( -2.788 -0.000 0.447) 2.824 3.149 ( 0.117 0.000 0.062) 0.132 3.298 ( -2.183 -0.000 -5.672) 6.077 3.441 ( 10.382 0.000 -5.975) 11.978 3.552 ( -9.476 -0.000 -0.624) 9.497 3.933 ( 0.259 0.000 -1.929) 1.946 3.949 ( 0.159 0.000 0.112) 0.195 4.032 ( -2.425 -0.000 1.015) 2.629 4.423 ( 1.102 0.000 1.443) 1.816 4.603 ( -0.186 -0.000 0.057) 0.194 5.254 ( 0.265 0.000 -0.595) 0.651 6.105 ( 0.260 0.000 0.271) 0.376 7.468 ( 1.223 0.000 -0.223) 1.243 7.499 ( -0.386 -0.000 0.681) 0.782 7.596 ( 18.367 0.000 0.341) 18.370 7.829 ( 0.300 0.000 -0.490) 0.575 8.299 ( -15.761 -0.000 0.173) 15.762 8.455 ( 1.064 0.000 -0.512) 1.181 8.725 ( 1.589 0.000 0.442) 1.650 8.767 ( -1.945 -0.000 1.762) 2.625 9.462 ( 1.578 0.000 -0.318) 1.610 9.760 ( -0.061 -0.000 0.020) 0.065 ======================= Grid point 206 (59/324) ======================= q-point: ( 0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.416 -10.386 14.446) 17.797 0.612 ( 5.436 -5.925 17.781) 19.514 1.177 ( 10.687 -21.661 20.337) 31.575 1.350 ( -2.248 -19.331 -8.245) 21.136 1.757 ( 1.154 -12.534 2.314) 12.798 1.917 ( -1.039 1.236 -1.180) 2.000 1.963 ( -0.226 -3.001 -0.722) 3.094 2.063 ( 2.071 -5.340 -5.518) 7.953 2.159 ( 4.879 -2.055 -7.016) 8.789 2.259 ( -1.738 -2.784 -1.944) 3.814 2.493 ( -0.850 1.471 4.797) 5.089 2.596 ( 0.824 0.818 4.923) 5.058 2.646 ( -0.123 0.673 -1.013) 1.222 2.840 ( -2.908 1.108 -0.204) 3.119 2.885 ( 2.063 -9.153 2.993) 9.848 3.048 ( -2.889 4.803 -2.551) 6.158 3.304 ( 2.736 4.224 0.222) 5.037 3.446 ( 1.058 -9.382 -3.980) 10.246 3.503 ( -0.051 -2.291 -0.433) 2.332 3.800 ( -1.284 5.344 2.740) 6.141 3.971 ( 0.636 -1.270 0.833) 1.646 3.993 ( -0.609 1.930 -0.026) 2.024 4.397 ( -1.273 1.493 1.944) 2.762 4.555 ( 0.367 3.289 -1.029) 3.466 6.038 ( -7.259 -39.488 -22.188) 45.873 6.192 ( -1.060 -9.146 0.388) 9.216 7.283 ( -1.836 10.250 5.720) 11.881 7.447 ( 0.062 1.228 -0.780) 1.456 7.692 ( -1.337 -7.007 5.587) 9.061 7.925 ( 0.674 -5.029 -0.728) 5.126 8.283 ( 3.281 -1.142 -0.394) 3.496 8.445 ( -0.201 -0.106 -1.488) 1.506 8.737 ( -2.941 0.490 3.428) 4.544 8.742 ( 4.852 0.216 0.450) 4.878 9.451 ( 0.194 1.123 -0.137) 1.148 9.749 ( -0.036 1.120 -0.024) 1.120 ======================= Grid point 207 (60/324) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 4.754 -11.239 12.603) 17.543 0.848 ( 3.510 -13.587 5.494) 15.071 1.374 ( -0.426 0.458 -3.396) 3.453 1.762 ( 3.796 -16.616 3.382) 17.377 1.870 ( -2.539 -1.585 -0.876) 3.119 2.057 ( 4.716 -16.502 6.464) 18.340 2.119 ( 5.290 -6.890 -2.981) 9.184 2.182 ( 2.387 -7.512 -4.588) 9.120 2.221 ( 0.653 -5.324 -5.260) 7.512 2.333 ( -0.653 -6.193 1.115) 6.327 2.448 ( -0.346 1.872 3.073) 3.615 2.583 ( -2.645 1.077 -0.922) 3.001 2.681 ( 4.049 -3.579 2.406) 5.916 2.800 ( -1.698 1.486 -0.278) 2.274 2.966 ( -0.763 -0.222 -0.441) 0.909 3.085 ( 0.873 -6.690 2.494) 7.193 3.351 ( 2.854 -6.178 -0.900) 6.864 3.486 ( 2.794 0.656 -0.194) 2.876 3.663 ( -2.866 -5.234 -2.097) 6.325 3.721 ( -0.935 -0.662 -0.246) 1.172 3.948 ( -1.527 1.716 -0.291) 2.316 4.010 ( 2.193 -2.247 1.109) 3.330 4.360 ( -2.786 1.646 0.947) 3.371 4.482 ( 1.425 4.579 -0.999) 4.899 6.389 ( -1.840 -12.459 0.777) 12.618 6.545 ( -5.875 -24.978 -11.576) 28.150 7.214 ( -5.006 -2.533 4.068) 6.930 7.452 ( 0.781 -2.199 -1.534) 2.793 7.850 ( -2.130 -9.138 3.911) 10.165 8.003 ( 0.703 -3.314 0.106) 3.389 8.335 ( 5.032 -1.957 -0.441) 5.417 8.475 ( -1.231 -4.369 -3.284) 5.603 8.735 ( 2.060 0.123 1.686) 2.665 8.774 ( 1.539 -1.705 2.502) 3.397 9.427 ( -0.657 1.215 -0.169) 1.391 9.720 ( 0.040 1.978 -0.089) 1.981 ======================= Grid point 208 (61/324) ======================= q-point: ( 0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -3.980 -4.301 -0.090) 5.861 1.092 ( 4.598 -13.747 5.094) 15.365 1.388 ( 3.832 -6.096 -0.877) 7.254 1.871 ( -1.513 -0.179 -0.921) 1.780 1.931 ( 0.696 -3.557 -1.774) 4.035 2.178 ( 4.966 3.832 -1.832) 6.535 2.229 ( 7.803 -4.087 -6.394) 10.885 2.309 ( -3.221 -3.401 -1.864) 5.041 2.443 ( -2.573 -5.779 1.023) 6.408 2.490 ( -0.277 -2.036 -0.562) 2.130 2.518 ( 5.219 -16.930 4.830) 18.362 2.598 ( -0.112 -8.237 0.726) 8.270 2.766 ( -0.033 -0.628 -1.277) 1.423 2.826 ( 2.881 -8.072 4.112) 9.506 3.004 ( -0.783 -3.693 1.754) 4.163 3.188 ( 2.142 -2.647 3.986) 5.243 3.430 ( -2.741 -0.476 -0.150) 2.786 3.523 ( 4.935 -1.695 -1.213) 5.357 3.633 ( 3.218 0.338 0.078) 3.237 3.769 ( -2.373 -0.718 -3.076) 3.951 3.933 ( -5.223 -1.137 0.833) 5.410 4.103 ( 3.347 -5.658 -0.339) 6.582 4.317 ( -2.682 1.396 0.190) 3.029 4.405 ( 2.120 4.196 -0.675) 4.750 6.607 ( -1.928 -11.451 1.715) 11.738 6.926 ( -3.845 -20.494 -5.518) 21.570 7.300 ( -7.728 -8.742 1.078) 11.718 7.527 ( 0.978 -4.803 -1.316) 5.075 8.001 ( -2.435 -7.625 0.529) 8.022 8.093 ( 2.019 -6.733 0.619) 7.057 8.402 ( 3.387 -3.208 -0.093) 4.666 8.578 ( -0.809 -7.397 -3.197) 8.099 8.752 ( 5.670 0.440 0.598) 5.719 8.833 ( -1.148 -3.709 3.218) 5.042 9.403 ( -1.155 0.794 -0.111) 1.406 9.677 ( 0.142 2.621 -0.125) 2.628 ======================= Grid point 209 (62/324) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -7.729 0.521 -3.247) 8.400 1.392 ( 4.952 -13.950 2.781) 15.062 1.598 ( 0.943 -11.833 -0.944) 11.908 1.811 ( 2.523 6.108 -1.095) 6.699 1.992 ( -0.036 -3.579 -1.293) 3.805 2.143 ( 6.832 2.169 -0.863) 7.220 2.317 ( 3.019 -1.672 -4.387) 5.582 2.349 ( 0.899 -4.544 -2.936) 5.484 2.471 ( -0.988 0.293 -1.870) 2.135 2.515 ( -2.175 -2.799 0.419) 3.570 2.703 ( -0.320 -6.752 1.339) 6.891 2.768 ( 0.745 -1.668 -0.150) 1.833 2.833 ( -0.242 -6.059 1.897) 6.354 3.052 ( 4.674 -4.970 3.189) 7.531 3.082 ( -0.238 -9.569 1.910) 9.760 3.222 ( -1.306 -0.703 3.705) 3.991 3.405 ( -0.283 1.411 0.182) 1.450 3.520 ( 4.083 2.035 -1.052) 4.682 3.710 ( 2.705 -4.348 -0.549) 5.150 3.775 ( 1.306 -1.816 -1.645) 2.777 3.922 ( -5.019 -0.427 1.766) 5.337 4.174 ( 0.149 0.187 -1.003) 1.031 4.298 ( -0.263 0.293 0.019) 0.394 4.362 ( 1.907 0.312 -0.468) 1.988 6.801 ( -1.455 -9.920 2.059) 10.235 7.237 ( -4.869 -15.503 -2.135) 16.390 7.454 ( -4.645 -10.557 -1.552) 11.638 7.590 ( -2.531 -2.186 -0.440) 3.373 8.152 ( 1.268 -9.624 -1.430) 9.812 8.267 ( 1.993 -9.892 0.694) 10.115 8.490 ( 1.934 -4.774 -0.188) 5.154 8.708 ( -0.822 -7.052 -2.329) 7.472 8.776 ( 5.764 0.106 0.365) 5.777 8.902 ( -2.146 -3.549 2.665) 4.930 9.391 ( -1.313 -0.269 0.006) 1.340 9.624 ( 0.316 3.050 -0.127) 3.069 ======================= Grid point 210 (63/324) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -7.606 -4.920 -1.885) 9.253 1.622 ( 1.735 4.883 0.401) 5.198 1.663 ( 2.165 -7.744 -1.252) 8.137 1.842 ( 2.310 -8.524 -0.846) 8.872 2.051 ( 0.421 -2.550 -0.377) 2.612 2.161 ( 7.111 -0.473 -1.295) 7.243 2.337 ( 0.728 -1.121 -2.464) 2.803 2.412 ( -2.248 -1.210 -3.276) 4.153 2.501 ( 5.215 -2.987 0.144) 6.012 2.555 ( -1.379 -3.415 0.303) 3.695 2.785 ( -1.407 -0.630 0.379) 1.588 2.829 ( 0.791 -5.029 1.025) 5.193 2.854 ( -5.739 0.418 0.955) 5.833 3.071 ( 3.489 0.797 2.120) 4.160 3.190 ( -2.786 3.955 -1.317) 5.014 3.274 ( 3.184 -5.689 1.246) 6.637 3.418 ( 0.735 -0.175 0.594) 0.961 3.535 ( 1.848 -4.471 -0.566) 4.871 3.779 ( 3.063 -0.929 -0.254) 3.211 3.820 ( 0.626 -1.557 0.973) 1.940 3.930 ( -1.743 -2.566 1.957) 3.667 4.134 ( -0.402 2.567 -0.763) 2.708 4.269 ( -0.179 2.084 -0.151) 2.097 4.401 ( 1.391 -2.077 -0.206) 2.508 6.973 ( -0.450 -8.579 1.928) 8.804 7.440 ( -7.986 -9.515 -0.783) 12.447 7.525 ( -2.137 0.787 -1.662) 2.820 7.687 ( -0.665 -9.630 -0.199) 9.655 8.353 ( 3.121 -10.499 -1.940) 11.123 8.459 ( 3.804 -8.455 0.508) 9.285 8.594 ( -0.439 -5.728 -0.330) 5.754 8.800 ( 3.728 -1.215 -0.326) 3.934 8.813 ( -0.711 -3.623 -1.352) 3.932 8.946 ( -2.743 -1.900 2.384) 4.101 9.402 ( -1.327 -1.575 0.090) 2.061 9.568 ( 0.684 3.167 -0.078) 3.241 ======================= Grid point 211 (64/324) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -6.798 -9.179 -0.327) 11.427 1.459 ( 4.217 10.096 0.158) 10.943 1.838 ( 0.223 -7.292 -1.953) 7.553 1.979 ( 1.054 -4.757 -0.883) 4.952 2.085 ( 0.873 -0.774 0.122) 1.173 2.225 ( 5.073 -3.167 -0.931) 6.053 2.361 ( 0.911 -1.103 -0.419) 1.491 2.397 ( -2.372 0.017 -1.904) 3.042 2.558 ( 2.897 -1.178 1.015) 3.288 2.646 ( -0.047 -4.538 -0.088) 4.540 2.731 ( -4.646 4.116 1.570) 6.402 2.833 ( 0.729 -0.996 -1.418) 1.880 2.928 ( -0.927 -4.237 1.688) 4.654 3.073 ( 0.656 4.079 -1.859) 4.530 3.108 ( 0.174 -0.880 1.729) 1.947 3.354 ( -1.871 -1.154 -0.766) 2.328 3.376 ( 3.410 2.465 -0.214) 4.213 3.661 ( -0.188 -6.067 -1.608) 6.279 3.757 ( 0.843 3.369 0.547) 3.516 3.851 ( 2.379 -0.446 1.846) 3.044 3.987 ( -0.408 -2.682 1.527) 3.113 4.096 ( -0.528 1.068 0.047) 1.192 4.232 ( -0.311 1.430 -0.049) 1.465 4.433 ( 0.673 -0.884 -0.066) 1.113 7.125 ( 1.127 -7.227 1.543) 7.476 7.412 ( -5.540 4.283 -0.766) 7.044 7.595 ( -3.049 -6.061 0.044) 6.785 7.835 ( 1.143 -5.288 -0.304) 5.418 8.547 ( 3.533 -8.395 -1.860) 9.296 8.607 ( 5.057 -4.935 0.156) 7.068 8.679 ( -2.877 -3.864 -0.391) 4.833 8.819 ( 0.637 0.603 -0.003) 0.877 8.853 ( -0.206 -1.065 -1.675) 1.995 8.961 ( -2.413 -0.908 2.613) 3.670 9.433 ( -1.518 -2.466 0.138) 2.899 9.515 ( 1.230 2.968 0.011) 3.213 ======================= Grid point 212 (65/324) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.167 0.078 -0.034) 0.187 1.355 ( -0.263 -2.034 1.379) 2.472 1.916 ( -1.488 -1.787 -2.390) 3.334 2.025 ( 1.102 0.075 -0.854) 1.397 2.096 ( 0.618 -0.110 0.512) 0.810 2.283 ( 0.157 -0.755 -1.597) 1.773 2.363 ( -1.111 0.094 -0.147) 1.125 2.438 ( 2.041 -4.416 2.422) 5.434 2.590 ( 1.285 -0.070 1.054) 1.663 2.623 ( -2.440 3.632 0.204) 4.380 2.683 ( -1.759 0.499 -0.904) 2.040 2.867 ( 1.683 -0.919 0.025) 1.917 2.959 ( 1.015 2.976 -0.190) 3.150 3.021 ( 0.706 -0.983 -1.239) 1.732 3.151 ( -4.057 -2.566 2.236) 5.296 3.311 ( 0.179 0.121 -0.509) 0.553 3.398 ( 4.276 0.464 -1.265) 4.484 3.659 ( -1.752 3.957 -2.248) 4.877 3.756 ( -1.261 -2.536 -0.413) 2.862 3.854 ( 2.882 2.129 1.749) 3.987 4.012 ( -1.618 0.119 1.295) 2.076 4.088 ( -0.480 -0.679 0.673) 1.070 4.222 ( 0.034 -0.515 0.260) 0.578 4.443 ( -0.018 -0.136 0.027) 0.140 7.223 ( -1.065 0.896 1.112) 1.782 7.330 ( 0.684 -0.945 -0.224) 1.188 7.656 ( -0.244 -1.022 0.827) 1.337 7.886 ( 0.129 0.026 -0.335) 0.360 8.641 ( -0.820 0.054 -0.947) 1.254 8.689 ( 1.552 0.100 -0.448) 1.618 8.715 ( 1.093 -1.554 -0.872) 2.091 8.782 ( -1.285 0.800 -0.754) 1.690 8.859 ( 0.182 0.134 -0.368) 0.432 8.969 ( -0.415 -0.011 2.427) 2.463 9.466 ( 0.759 1.660 -0.142) 1.831 9.479 ( -0.876 -1.753 0.396) 1.999 ======================= Grid point 213 (66/324) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 6.133 6.274 0.447) 8.785 1.505 ( -4.520 -11.317 1.442) 12.271 1.877 ( -3.846 4.375 -0.013) 5.825 1.995 ( -0.017 2.901 -0.697) 2.984 2.092 ( 1.535 1.496 0.146) 2.148 2.256 ( -3.987 2.087 -1.612) 4.780 2.364 ( -1.127 -0.762 0.121) 1.365 2.499 ( 1.128 1.968 -1.130) 2.534 2.567 ( 0.016 -1.797 5.515) 5.800 2.624 ( 1.959 -0.572 -1.961) 2.830 2.642 ( -1.412 2.433 -0.382) 2.839 2.849 ( 0.697 3.435 -0.913) 3.622 2.904 ( 2.192 3.179 1.056) 4.003 2.998 ( -3.825 1.362 -2.875) 4.975 3.213 ( -1.187 -4.940 2.808) 5.805 3.354 ( 3.815 -1.435 -0.806) 4.155 3.378 ( 1.381 2.929 -0.048) 3.238 3.567 ( -2.501 3.813 -3.134) 5.533 3.775 ( -1.685 -0.302 0.068) 1.713 3.811 ( 1.210 3.164 0.796) 3.480 3.979 ( -2.244 1.954 0.910) 3.112 4.120 ( 0.163 -2.275 0.906) 2.455 4.246 ( -0.189 -1.749 0.351) 1.794 4.438 ( -0.708 0.666 0.065) 0.974 7.113 ( -2.050 7.237 1.131) 7.606 7.424 ( 5.639 -4.254 -0.355) 7.073 7.628 ( 2.808 4.927 1.061) 5.769 7.838 ( -1.152 4.628 -0.259) 4.776 8.556 ( -3.732 6.665 -1.964) 7.887 8.609 ( -3.739 6.422 0.580) 7.454 8.686 ( 2.735 4.144 -0.097) 4.966 8.824 ( 1.496 -2.064 -1.365) 2.892 8.845 ( -1.518 1.027 -0.458) 1.889 8.962 ( 1.472 1.753 2.530) 3.412 9.426 ( 1.459 2.524 -0.104) 2.917 9.525 ( -1.369 -3.088 0.316) 3.392 ======================= Grid point 214 (67/324) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 6.187 1.941 0.461) 6.500 1.694 ( -3.288 -10.343 1.092) 10.908 1.717 ( -9.017 9.373 2.847) 13.314 1.903 ( 1.742 8.541 0.274) 8.721 2.051 ( 1.752 3.532 -1.116) 4.097 2.178 ( -6.869 1.603 -1.751) 7.268 2.367 ( -2.037 0.614 0.435) 2.172 2.460 ( 0.733 1.979 -1.675) 2.694 2.554 ( -1.040 2.408 -1.889) 3.232 2.606 ( -2.714 0.014 1.840) 3.279 2.646 ( 4.893 1.357 -0.536) 5.106 2.783 ( 1.474 3.158 -0.189) 3.490 2.841 ( -0.517 3.902 0.252) 3.944 2.987 ( -0.898 -1.050 -1.634) 2.139 3.267 ( 3.451 7.044 2.209) 8.149 3.274 ( 1.108 4.920 1.246) 5.194 3.360 ( -4.115 -0.269 -0.994) 4.242 3.515 ( -1.828 -0.689 -1.534) 2.484 3.753 ( 2.063 1.731 -0.529) 2.744 3.782 ( -2.858 -0.018 -0.229) 2.868 3.939 ( -0.563 1.475 1.577) 2.232 4.167 ( 0.201 -2.361 0.433) 2.409 4.282 ( -0.580 -2.094 0.178) 2.180 4.409 ( -1.435 1.865 0.028) 2.353 6.961 ( -0.549 8.645 1.546) 8.800 7.465 ( 7.956 8.187 -0.225) 11.418 7.549 ( 2.287 0.414 -0.624) 2.406 7.708 ( 0.389 8.942 0.229) 8.953 8.380 ( -2.775 9.294 -2.024) 9.908 8.443 ( -4.031 9.445 0.919) 10.310 8.595 ( 1.082 6.157 -0.266) 6.257 8.803 ( -3.105 2.012 -0.950) 3.820 8.838 ( 0.523 0.726 -0.886) 1.259 8.923 ( 1.584 3.908 2.621) 4.965 9.392 ( 1.540 1.684 -0.198) 2.291 9.579 ( -0.945 -3.212 0.255) 3.357 ======================= Grid point 215 (68/324) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 5.156 -1.831 0.006) 5.472 1.466 ( -11.278 12.271 5.182) 17.454 1.668 ( -3.702 15.567 0.938) 16.029 1.844 ( 0.079 -5.562 0.395) 5.577 1.995 ( 1.683 2.646 -2.893) 4.267 2.148 ( -6.385 -2.181 -1.247) 6.862 2.294 ( -2.105 5.019 -2.028) 5.808 2.432 ( -1.940 0.929 1.095) 2.414 2.541 ( -1.105 -1.272 -3.189) 3.607 2.557 ( 0.750 6.205 0.825) 6.304 2.599 ( 2.898 4.797 -4.325) 7.080 2.736 ( 1.186 3.444 -0.203) 3.648 2.802 ( -1.338 -0.608 2.725) 3.096 2.923 ( -0.720 9.342 -0.168) 9.372 3.065 ( 1.627 13.680 2.761) 14.051 3.170 ( 1.072 3.669 1.670) 4.172 3.395 ( -1.144 -2.538 -0.396) 2.812 3.523 ( -3.224 -1.142 -0.882) 3.532 3.727 ( -1.573 2.322 -0.261) 2.817 3.784 ( -0.379 -1.999 -1.258) 2.392 3.929 ( 2.683 0.747 2.064) 3.467 4.192 ( -0.473 0.919 -0.505) 1.151 4.303 ( 0.020 0.158 0.174) 0.236 4.378 ( -2.165 -1.044 -0.008) 2.403 6.791 ( 0.439 10.004 1.736) 10.163 7.261 ( 5.542 15.016 -1.383) 16.065 7.520 ( 4.851 12.234 0.821) 13.186 7.565 ( 1.965 1.086 -1.827) 2.895 8.194 ( -1.545 8.944 -1.022) 9.134 8.232 ( -2.360 10.812 0.578) 11.081 8.484 ( -0.719 5.426 -0.336) 5.484 8.733 ( -1.363 4.092 -2.384) 4.928 8.813 ( -3.957 0.727 -0.165) 4.027 8.843 ( 1.610 5.673 3.359) 6.786 9.381 ( 1.808 0.295 -0.260) 1.850 9.634 ( -0.673 -3.014 0.161) 3.093 ======================= Grid point 216 (69/324) ======================= q-point: (-0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -7.923 11.420 3.815) 14.413 1.251 ( 2.896 12.044 4.519) 13.186 1.363 ( -12.196 4.966 0.079) 13.168 1.886 ( 2.970 1.975 -0.129) 3.569 1.946 ( 0.713 3.416 -2.449) 4.263 2.173 ( -1.327 0.006 -2.616) 2.934 2.195 ( -4.159 2.210 -4.632) 6.606 2.322 ( -2.110 16.910 1.100) 17.076 2.383 ( -0.411 5.733 3.006) 6.487 2.480 ( -1.390 4.410 -0.150) 4.626 2.596 ( -0.039 -3.252 -5.788) 6.639 2.648 ( -2.293 9.302 -4.126) 10.431 2.676 ( 2.369 11.219 5.297) 12.630 2.818 ( -2.165 1.034 -0.218) 2.409 2.918 ( 4.554 1.415 6.759) 8.272 3.129 ( -0.806 2.376 0.115) 2.512 3.415 ( 3.777 0.616 -0.572) 3.869 3.499 ( -4.261 3.878 -1.467) 5.946 3.674 ( -4.724 -0.697 1.257) 4.938 3.837 ( 0.142 -3.179 -2.015) 3.767 3.929 ( 5.954 2.851 1.751) 6.830 4.093 ( -3.736 6.793 -0.810) 7.795 4.313 ( 2.348 -0.751 0.140) 2.470 4.426 ( -2.409 -4.465 -0.091) 5.074 6.599 ( 1.084 11.396 1.556) 11.552 6.978 ( 5.270 17.269 -4.410) 18.586 7.315 ( 6.821 12.534 1.892) 14.395 7.516 ( 0.112 3.774 -2.167) 4.354 8.006 ( 1.038 11.059 1.626) 11.226 8.073 ( -1.737 5.094 -0.640) 5.420 8.392 ( -1.655 3.640 -0.367) 4.016 8.627 ( 0.018 6.004 -3.942) 7.182 8.745 ( -1.210 3.985 3.595) 5.501 8.796 ( -3.649 0.226 1.182) 3.842 9.395 ( 1.801 -0.752 -0.314) 1.977 9.684 ( -0.537 -2.562 0.076) 2.619 ======================= Grid point 217 (70/324) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -6.857 15.714 7.582) 18.746 0.919 ( -14.406 15.813 8.151) 22.891 1.360 ( -0.326 3.328 0.918) 3.467 1.686 ( 1.567 21.643 2.416) 21.833 1.897 ( 3.986 1.930 -1.515) 4.681 1.985 ( -4.138 8.654 -0.884) 9.633 2.079 ( 0.826 10.695 -0.233) 10.730 2.154 ( 3.022 5.884 -3.155) 7.328 2.286 ( -2.504 3.819 -5.587) 7.216 2.361 ( -1.701 7.631 -0.324) 7.825 2.463 ( -2.983 0.556 2.435) 3.890 2.599 ( 0.518 2.927 2.344) 3.786 2.645 ( -0.777 -2.257 -2.051) 3.148 2.810 ( 0.499 -1.292 1.804) 2.274 2.958 ( -1.059 -0.118 2.746) 2.945 3.080 ( 1.483 1.867 -0.007) 2.384 3.326 ( -1.922 9.416 -1.757) 9.769 3.429 ( 3.238 -0.243 -0.831) 3.352 3.718 ( -3.744 -2.303 0.887) 4.484 3.768 ( 0.162 9.689 -0.782) 9.722 3.927 ( 2.800 -1.892 -0.514) 3.419 4.005 ( -2.228 0.985 0.568) 2.502 4.345 ( 2.942 -1.112 0.723) 3.227 4.502 ( -2.118 -4.647 -0.459) 5.127 6.384 ( 1.514 12.346 0.903) 12.471 6.649 ( 6.741 20.299 -11.488) 24.279 7.164 ( 6.277 6.479 4.554) 10.106 7.452 ( 0.395 1.975 -1.729) 2.654 7.814 ( 1.279 10.543 3.684) 11.241 7.990 ( 0.215 3.977 -0.521) 4.016 8.335 ( -3.171 0.869 -0.210) 3.294 8.513 ( -0.211 4.717 -3.706) 6.002 8.699 ( 1.267 1.763 3.801) 4.377 8.780 ( -5.697 -0.616 0.963) 5.810 9.421 ( 1.453 -1.085 -0.329) 1.843 9.724 ( -0.413 -1.930 0.016) 1.973 ======================= Grid point 218 (71/324) ======================= q-point: (-0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.140 10.930 13.331) 17.239 0.614 ( -19.418 9.682 16.001) 26.960 1.019 ( 2.196 27.805 20.501) 34.615 1.384 ( 3.459 16.974 -9.250) 19.638 1.738 ( 1.258 14.598 0.993) 14.686 1.909 ( 4.113 -0.939 -1.148) 4.372 1.964 ( -2.396 -0.669 2.474) 3.508 2.092 ( -0.272 3.966 -9.095) 9.925 2.158 ( 0.870 3.670 -6.875) 7.842 2.282 ( -1.534 2.092 -1.175) 2.848 2.479 ( -0.017 -0.639 3.571) 3.627 2.574 ( -0.722 0.326 5.138) 5.199 2.663 ( -2.192 -0.915 -0.500) 2.428 2.848 ( -0.085 1.193 1.819) 2.177 2.881 ( -2.416 4.003 1.121) 4.808 3.080 ( -1.508 -2.639 -1.436) 3.362 3.266 ( 4.090 -4.850 0.192) 6.347 3.435 ( 1.758 4.179 -1.622) 4.815 3.521 ( -1.212 6.958 -1.175) 7.160 3.807 ( -2.408 -4.649 2.985) 6.026 3.957 ( 1.307 0.314 0.433) 1.412 4.000 ( -0.515 -1.176 -0.057) 1.285 4.383 ( 2.300 -1.201 1.766) 3.138 4.566 ( -1.558 -3.117 -0.834) 3.583 6.145 ( 5.862 33.220 -22.127) 40.343 6.195 ( 1.724 13.293 -3.476) 13.847 7.212 ( 10.363 -7.698 8.451) 15.430 7.447 ( 0.665 -1.078 -0.767) 1.481 7.653 ( 3.321 8.415 5.393) 10.532 7.909 ( 2.191 5.219 -1.038) 5.755 8.328 ( -9.629 -3.070 0.253) 10.109 8.450 ( 0.359 1.341 -2.312) 2.697 8.702 ( 1.861 -0.423 3.035) 3.585 8.765 ( -5.283 -0.567 1.225) 5.453 9.445 ( 1.131 -0.810 -0.213) 1.408 9.750 ( -0.256 -1.079 -0.004) 1.109 ======================= Grid point 220 (72/324) ======================= q-point: ( 0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 12.904 0.000 15.837) 20.429 0.620 ( 11.783 0.000 18.460) 21.900 0.938 ( -2.742 -0.000 -0.402) 2.772 1.071 ( 16.128 0.000 31.914) 35.758 1.636 ( 2.222 0.000 3.741) 4.351 1.887 ( -4.168 -0.000 -12.516) 13.191 1.943 ( -4.005 -0.000 0.889) 4.102 2.041 ( 5.601 0.000 4.120) 6.953 2.162 ( 7.985 0.000 -8.608) 11.741 2.213 ( -2.457 -0.000 -3.330) 4.139 2.502 ( -2.776 -0.000 6.201) 6.794 2.652 ( 3.583 0.000 7.175) 8.020 2.652 ( 1.629 0.000 -0.857) 1.840 2.775 ( 1.492 0.000 -0.146) 1.499 2.837 ( -3.369 -0.000 -0.805) 3.464 3.148 ( -0.218 -0.000 -0.046) 0.223 3.232 ( -5.567 -0.000 -6.664) 8.684 3.445 ( -6.554 -0.000 -3.498) 7.429 3.521 ( 5.454 0.000 -0.588) 5.485 3.897 ( -4.963 -0.000 0.974) 5.058 3.948 ( -0.533 -0.000 0.143) 0.551 4.013 ( -1.268 -0.000 0.776) 1.487 4.418 ( -3.285 -0.000 1.731) 3.713 4.611 ( 1.677 0.000 0.046) 1.678 5.263 ( 2.003 0.000 -0.570) 2.082 6.096 ( -2.155 -0.000 0.314) 2.178 7.434 ( -10.591 -0.000 1.661) 10.721 7.496 ( -0.860 -0.000 0.637) 1.070 7.572 ( -11.393 -0.000 5.225) 12.534 7.838 ( 1.772 0.000 -0.445) 1.827 8.317 ( 13.046 0.000 -5.034) 13.984 8.460 ( 0.745 0.000 -0.630) 0.976 8.739 ( -3.745 -0.000 2.446) 4.473 8.779 ( 6.326 0.000 0.642) 6.358 9.467 ( -0.289 -0.000 -0.584) 0.652 9.760 ( -0.012 -0.000 0.022) 0.025 ======================= Grid point 221 (73/324) ======================= q-point: ( 0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 15.878 -6.331 11.371) 20.530 0.761 ( 9.995 -3.550 16.674) 19.761 1.246 ( -5.223 -14.965 -5.605) 16.812 1.412 ( 14.151 -20.722 15.909) 29.711 1.779 ( 1.090 -10.427 3.094) 10.931 1.900 ( -1.248 -2.155 -0.468) 2.534 1.932 ( -2.743 -6.546 -5.103) 8.742 2.093 ( 3.925 -2.477 0.578) 4.677 2.195 ( 8.502 -0.890 -8.211) 11.853 2.235 ( -1.479 -3.989 -1.371) 4.470 2.492 ( -3.072 0.829 3.942) 5.066 2.625 ( 2.109 3.948 3.296) 5.558 2.664 ( 3.553 -0.797 0.866) 3.743 2.803 ( -3.565 0.544 -1.273) 3.824 2.922 ( 1.950 -10.244 2.485) 10.720 3.014 ( -0.843 6.002 -2.599) 6.595 3.318 ( 0.150 0.663 -0.385) 0.781 3.407 ( -4.137 -11.557 -4.646) 13.125 3.528 ( 3.200 1.511 0.705) 3.608 3.807 ( 1.261 4.542 1.491) 4.943 3.972 ( -0.820 -1.122 0.521) 1.484 3.991 ( 0.057 1.247 0.408) 1.314 4.375 ( -4.311 1.642 1.527) 4.859 4.565 ( 2.154 3.622 -0.640) 4.263 5.875 ( -9.423 -39.601 -13.718) 42.956 6.173 ( -3.117 -9.124 0.523) 9.656 7.242 ( -9.693 7.335 5.454) 13.323 7.442 ( -0.470 1.270 -0.508) 1.446 7.678 ( -4.403 -8.608 4.349) 10.602 7.922 ( -0.207 -5.482 -0.042) 5.486 8.365 ( 12.060 0.224 -4.443) 12.854 8.431 ( -1.051 1.484 -0.941) 2.048 8.723 ( -3.061 -0.528 4.184) 5.211 8.802 ( 6.914 0.916 0.359) 6.983 9.446 ( -1.006 1.267 -0.242) 1.636 9.749 ( 0.020 1.123 -0.017) 1.124 ======================= Grid point 222 (74/324) ======================= q-point: ( 0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 6.982 -7.154 10.369) 14.403 0.936 ( 12.596 -7.929 6.422) 16.210 1.345 ( -1.634 -1.995 -4.762) 5.415 1.808 ( 2.484 -8.494 0.698) 8.877 1.854 ( 0.599 -3.365 -0.098) 3.419 2.100 ( -0.745 -14.219 0.567) 14.250 2.156 ( 2.153 -10.941 -1.136) 11.209 2.192 ( 3.367 -10.757 -0.340) 11.277 2.247 ( 9.055 -3.061 -2.921) 9.995 2.335 ( -0.200 -6.731 1.676) 6.940 2.461 ( 0.047 1.324 2.331) 2.682 2.563 ( -0.015 2.737 0.242) 2.748 2.732 ( 3.932 -3.057 1.103) 5.101 2.782 ( -1.078 -0.248 0.105) 1.111 2.949 ( -1.254 -0.944 -2.153) 2.665 3.117 ( 2.407 -7.012 3.973) 8.412 3.363 ( 0.254 -5.053 -1.007) 5.158 3.504 ( 0.415 1.314 0.499) 1.466 3.612 ( -4.743 -10.976 -3.248) 12.390 3.743 ( 5.125 4.159 0.314) 6.608 3.927 ( -2.275 2.696 -0.094) 3.529 4.035 ( 2.240 -3.476 0.470) 4.162 4.326 ( -4.320 1.382 0.604) 4.576 4.499 ( 2.340 4.500 -0.695) 5.120 6.363 ( -3.817 -14.345 -0.564) 14.855 6.438 ( -7.026 -26.931 -7.599) 28.851 7.160 ( -8.560 -1.834 3.321) 9.363 7.452 ( 0.345 -2.748 -1.067) 2.968 7.832 ( -3.751 -8.930 2.680) 10.050 8.008 ( 0.286 -4.082 0.253) 4.099 8.400 ( 6.628 0.399 -0.479) 6.658 8.452 ( 0.984 -4.725 -3.874) 6.189 8.753 ( -1.190 -2.681 4.256) 5.169 8.817 ( 6.080 0.980 0.099) 6.159 9.415 ( -1.590 1.268 -0.202) 2.044 9.720 ( 0.060 1.958 -0.060) 1.960 ======================= Grid point 223 (75/324) ======================= q-point: ( 0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -2.535 1.941 -1.709) 3.621 1.185 ( 8.106 -11.425 6.113) 15.284 1.428 ( 5.226 -7.824 -0.776) 9.441 1.857 ( -0.829 -1.598 -0.303) 1.826 1.939 ( 2.527 -2.049 -1.432) 3.555 2.212 ( 2.936 -0.112 -2.797) 4.057 2.258 ( -3.988 -4.316 -4.083) 7.155 2.295 ( 8.780 -1.749 -4.363) 9.959 2.428 ( -1.240 -3.691 2.084) 4.416 2.479 ( 1.063 -1.015 -2.103) 2.565 2.565 ( 0.111 -9.298 2.525) 9.635 2.636 ( 4.663 -13.711 5.257) 15.407 2.761 ( 0.210 -0.827 -1.751) 1.948 2.868 ( 2.573 -8.140 3.065) 9.070 3.012 ( 1.294 -4.779 1.675) 5.227 3.215 ( 0.009 -1.774 4.062) 4.433 3.394 ( -4.418 0.085 0.033) 4.419 3.557 ( 3.075 -4.579 -1.689) 5.768 3.689 ( 7.510 3.100 -0.035) 8.125 3.734 ( -2.228 -3.739 -2.185) 4.870 3.883 ( -5.236 -0.105 0.439) 5.256 4.132 ( 2.866 -4.552 -0.603) 5.413 4.291 ( -2.623 0.273 0.183) 2.644 4.425 ( 2.282 4.298 -0.522) 4.894 6.591 ( -2.500 -12.150 1.532) 12.499 6.861 ( -5.101 -22.127 -4.490) 23.147 7.220 ( -9.028 -8.778 0.846) 12.620 7.524 ( -0.508 -3.998 -1.053) 4.165 7.978 ( -2.396 -8.721 0.255) 9.048 8.111 ( 1.354 -7.100 0.290) 7.234 8.445 ( 4.692 -2.238 -0.260) 5.205 8.565 ( 0.989 -6.937 -2.646) 7.490 8.816 ( 3.760 -1.688 2.603) 4.875 8.831 ( 0.887 -1.129 0.771) 1.630 9.387 ( -1.924 0.696 -0.133) 2.051 9.678 ( 0.122 2.564 -0.057) 2.567 ======================= Grid point 224 (76/324) ======================= q-point: ( 0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -5.746 1.388 -2.857) 6.565 1.448 ( 4.338 -12.119 1.825) 13.000 1.616 ( 3.181 -8.004 -0.040) 8.613 1.846 ( 4.680 3.499 -0.804) 5.899 1.992 ( 0.927 -3.425 0.170) 3.552 2.204 ( 5.615 1.525 -1.255) 5.953 2.295 ( -2.925 -2.937 -2.853) 5.032 2.358 ( 1.481 -2.270 -4.508) 5.260 2.478 ( 4.487 -1.950 -1.848) 5.230 2.513 ( 1.224 -1.969 1.564) 2.796 2.700 ( -1.360 -6.313 2.020) 6.766 2.773 ( 0.526 -1.495 -0.650) 1.713 2.821 ( -2.815 -3.404 0.499) 4.445 3.082 ( 0.463 -4.552 0.926) 4.668 3.124 ( 4.850 -9.414 3.602) 11.186 3.212 ( -3.344 0.869 3.081) 4.629 3.388 ( -2.554 -1.946 -0.190) 3.216 3.570 ( 6.090 4.072 -0.923) 7.384 3.732 ( 1.552 -4.491 -0.486) 4.776 3.797 ( 4.651 -2.336 -1.401) 5.390 3.874 ( -5.746 -1.972 1.804) 6.337 4.171 ( -0.129 1.047 -0.682) 1.256 4.298 ( 0.430 0.013 -0.065) 0.435 4.380 ( 1.906 0.338 -0.388) 1.974 6.796 ( -1.238 -10.414 1.952) 10.667 7.170 ( -7.039 -14.751 -1.586) 16.421 7.404 ( -4.094 -13.536 -1.318) 14.203 7.557 ( -3.361 -1.160 -0.533) 3.595 8.162 ( 1.752 -11.033 -1.134) 11.229 8.284 ( 1.058 -10.371 0.248) 10.428 8.521 ( 4.408 -3.403 -0.284) 5.576 8.693 ( -0.501 -6.695 -1.567) 6.894 8.835 ( 5.075 0.871 0.146) 5.151 8.888 ( -2.045 -3.283 2.254) 4.477 9.374 ( -1.936 -0.484 -0.063) 1.996 9.627 ( 0.313 2.904 -0.002) 2.921 ======================= Grid point 225 (77/324) ======================= q-point: ( 0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -5.990 -5.044 -1.496) 7.972 1.649 ( 2.550 5.421 -0.287) 5.997 1.672 ( 1.963 -8.987 -0.586) 9.217 1.877 ( 4.273 -5.302 -0.082) 6.810 2.061 ( 1.503 -2.713 0.745) 3.189 2.219 ( 5.707 -0.472 -1.865) 6.022 2.334 ( 0.196 -2.438 -2.016) 3.169 2.371 ( -3.349 -0.820 -2.027) 4.000 2.547 ( -0.307 -2.122 0.739) 2.268 2.571 ( 8.151 -3.513 -0.513) 8.891 2.769 ( -2.925 1.610 0.643) 3.400 2.798 ( -4.438 -3.027 1.272) 5.520 2.841 ( 0.401 -3.305 -0.086) 3.330 3.107 ( 1.784 0.332 1.968) 2.677 3.148 ( -4.095 3.764 -1.031) 5.657 3.291 ( -0.172 -4.965 0.696) 5.017 3.435 ( 1.703 -0.349 -0.010) 1.738 3.558 ( 3.538 -2.608 -0.877) 4.482 3.803 ( 1.545 -0.237 -0.276) 1.588 3.832 ( 0.806 -2.059 1.099) 2.469 3.927 ( 0.165 -3.815 1.490) 4.099 4.129 ( -0.218 2.499 -0.207) 2.517 4.266 ( -0.304 2.352 -0.222) 2.382 4.415 ( 1.570 -1.694 -0.134) 2.313 6.978 ( 0.064 -9.142 1.766) 9.311 7.353 ( -8.849 -8.700 -0.471) 12.418 7.499 ( -1.896 -0.381 -1.247) 2.301 7.679 ( -0.754 -11.507 -0.194) 11.533 8.379 ( 3.578 -10.690 -1.770) 11.411 8.489 ( 1.607 -10.177 0.286) 10.307 8.605 ( 3.145 -3.256 -0.290) 4.537 8.791 ( -1.480 -4.340 -1.424) 4.801 8.841 ( 2.964 0.567 0.226) 3.027 8.927 ( -2.430 -1.688 2.064) 3.607 9.386 ( -1.807 -1.728 -0.062) 2.501 9.575 ( 0.748 2.907 0.109) 3.003 ======================= Grid point 226 (78/324) ======================= q-point: ( 0.50 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -5.084 -9.721 -0.169) 10.972 1.512 ( 5.988 9.829 0.611) 11.526 1.820 ( -1.551 -6.515 -2.127) 7.026 1.990 ( 1.103 -4.145 -0.428) 4.310 2.099 ( 1.673 -0.312 0.336) 1.734 2.268 ( 4.428 -1.851 -1.427) 5.007 2.357 ( -2.197 -0.022 -0.206) 2.207 2.382 ( 1.378 -2.701 -0.680) 3.108 2.579 ( 0.146 -1.379 0.985) 1.701 2.664 ( 3.485 -1.854 0.589) 3.991 2.687 ( -4.744 3.597 0.357) 5.964 2.841 ( 1.710 -2.625 -0.617) 3.193 2.924 ( -1.504 -4.480 1.653) 5.007 3.056 ( -1.127 3.519 -2.634) 4.538 3.111 ( -1.935 -0.053 2.357) 3.050 3.319 ( -2.228 0.514 -0.926) 2.467 3.435 ( 6.264 0.805 -0.140) 6.317 3.642 ( -1.703 -3.793 -2.559) 4.882 3.769 ( 0.718 3.098 1.090) 3.362 3.883 ( 2.586 -1.115 1.108) 3.026 3.988 ( -0.277 -2.125 1.297) 2.505 4.092 ( -0.338 1.213 0.423) 1.329 4.227 ( -0.685 1.191 0.013) 1.374 4.441 ( 0.872 -0.465 -0.019) 0.988 7.144 ( 1.446 -7.738 1.345) 7.986 7.351 ( -5.969 2.314 -0.423) 6.416 7.572 ( -1.737 -6.514 0.244) 6.746 7.842 ( 0.513 -5.440 -0.267) 5.470 8.576 ( 3.835 -8.202 -1.839) 9.239 8.647 ( -1.398 -4.945 -0.146) 5.141 8.665 ( 4.479 -2.363 -0.092) 5.064 8.810 ( -1.364 1.117 -1.266) 2.170 8.857 ( 1.231 -0.729 -0.097) 1.434 8.944 ( -3.012 -1.540 2.458) 4.182 9.417 ( -1.745 -2.498 -0.065) 3.048 9.528 ( 1.246 2.737 0.232) 3.016 ======================= Grid point 227 (79/324) ======================= q-point: (-0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -1.150 -7.495 0.037) 7.583 1.379 ( 3.563 5.249 1.221) 6.460 1.890 ( -1.629 -2.026 -1.967) 3.259 2.017 ( -1.835 0.885 -1.143) 2.336 2.104 ( 0.227 -0.042 0.652) 0.692 2.282 ( 1.221 1.572 -1.987) 2.813 2.352 ( -0.879 -0.257 0.021) 0.916 2.473 ( 2.660 -5.046 2.445) 6.206 2.582 ( -3.305 3.187 1.546) 4.845 2.612 ( 0.273 -0.574 -0.966) 1.157 2.690 ( 3.503 1.152 0.175) 3.692 2.882 ( 1.026 -0.111 -0.076) 1.035 2.959 ( -0.661 0.952 -0.156) 1.169 3.013 ( -1.131 1.866 -2.376) 3.226 3.105 ( -6.183 -3.319 2.704) 7.520 3.322 ( 2.051 -1.912 -0.330) 2.824 3.447 ( 5.944 1.631 -1.244) 6.288 3.630 ( -2.249 3.166 -2.029) 4.382 3.742 ( -1.370 -0.472 0.037) 1.449 3.889 ( 2.755 2.245 1.133) 3.731 3.997 ( -2.391 0.916 1.389) 2.913 4.088 ( 0.041 -1.043 0.604) 1.206 4.221 ( -0.508 -0.741 0.294) 0.945 4.444 ( 0.192 0.270 0.027) 0.333 7.209 ( -2.321 3.408 0.994) 4.241 7.344 ( 2.019 -5.539 -0.119) 5.896 7.661 ( 0.449 -2.679 0.872) 2.853 7.883 ( -0.411 0.779 -0.367) 0.955 8.617 ( -2.530 2.505 -0.843) 3.659 8.695 ( -0.096 2.679 -0.433) 2.715 8.739 ( 3.569 -2.113 -0.951) 4.255 8.776 ( 0.958 -1.033 -1.006) 1.731 8.858 ( -0.228 0.783 -0.140) 0.827 8.970 ( -1.393 -1.500 2.426) 3.174 9.458 ( -1.376 -2.467 -0.132) 2.828 9.486 ( 1.149 2.268 0.371) 2.570 ======================= Grid point 228 (80/324) ======================= q-point: (-0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 6.664 6.079 0.216) 9.023 1.468 ( -3.864 -11.198 0.688) 11.865 1.842 ( -3.349 6.338 0.660) 7.199 1.979 ( -1.924 0.874 -1.485) 2.582 2.099 ( -0.634 0.688 0.222) 0.961 2.216 ( -2.353 5.163 -1.840) 5.965 2.360 ( 0.014 -0.664 0.103) 0.672 2.495 ( -0.282 2.142 -2.220) 3.097 2.579 ( -1.302 -2.096 2.649) 3.621 2.627 ( 1.977 2.959 -1.411) 3.828 2.670 ( 4.015 0.388 3.015) 5.035 2.847 ( -0.379 3.235 -1.112) 3.442 2.921 ( 0.023 4.165 -1.520) 4.434 2.958 ( -0.955 -0.677 -0.764) 1.398 3.181 ( -6.481 -5.903 2.063) 9.006 3.389 ( 4.185 -2.405 0.165) 4.830 3.413 ( 3.914 4.737 -1.189) 6.259 3.534 ( -1.870 4.993 -1.174) 5.459 3.750 ( -2.618 -1.269 -0.523) 2.955 3.837 ( 2.452 4.525 1.147) 5.273 3.960 ( -2.361 1.341 1.172) 2.957 4.123 ( -0.039 -2.255 0.569) 2.326 4.243 ( -0.531 -1.698 0.260) 1.798 4.432 ( -0.462 1.099 0.011) 1.192 7.100 ( -1.547 6.470 1.351) 6.788 7.471 ( 4.115 -5.264 -0.727) 6.721 7.665 ( 3.831 3.986 0.909) 5.603 7.820 ( -2.266 4.627 -0.404) 5.168 8.515 ( -2.925 6.556 -1.580) 7.350 8.577 ( -2.837 7.484 0.145) 8.005 8.712 ( 2.576 4.528 -0.194) 5.213 8.818 ( -2.232 1.398 0.607) 2.702 8.844 ( 2.356 -1.041 -2.430) 3.542 8.981 ( 0.349 0.852 2.498) 2.662 9.438 ( 1.036 2.492 0.041) 2.699 9.514 ( -1.117 -3.221 0.130) 3.412 ======================= Grid point 229 (81/324) ======================= q-point: (-0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 5.583 2.278 -0.257) 6.035 1.634 ( -7.899 5.737 0.810) 9.796 1.674 ( -3.106 -4.831 2.378) 6.217 1.926 ( 3.114 7.411 -0.591) 8.060 2.051 ( -1.620 5.259 -2.486) 6.038 2.099 ( -6.240 0.628 -0.968) 6.345 2.358 ( -0.281 1.615 -0.539) 1.726 2.463 ( 0.941 2.216 -1.155) 2.670 2.517 ( -3.404 2.954 -2.535) 5.171 2.607 ( 1.693 -0.327 -0.459) 1.784 2.697 ( 4.342 2.676 1.162) 5.231 2.792 ( 0.959 2.076 0.277) 2.304 2.832 ( -1.273 4.007 0.140) 4.207 2.990 ( 2.101 -0.748 -0.071) 2.231 3.250 ( -6.813 -3.707 1.138) 7.839 3.295 ( 0.999 8.552 0.720) 8.640 3.350 ( 2.138 7.831 1.219) 8.209 3.500 ( -0.015 -1.915 -1.495) 2.430 3.754 ( -2.420 0.212 -0.164) 2.435 3.773 ( 2.075 2.441 -0.211) 3.211 3.943 ( -0.203 -0.003 1.750) 1.762 4.168 ( -0.236 -2.370 -0.115) 2.384 4.277 ( -0.490 -2.036 0.151) 2.100 4.396 ( -1.093 2.347 -0.075) 2.590 6.963 ( -0.411 8.080 1.775) 8.283 7.534 ( 5.914 9.940 -0.739) 11.590 7.565 ( 1.669 -0.523 -1.148) 2.092 7.709 ( -0.385 6.486 0.249) 6.502 8.347 ( -1.961 9.150 -2.179) 9.608 8.411 ( -2.974 8.929 0.924) 9.457 8.609 ( 1.878 7.183 -0.191) 7.427 8.763 ( -3.934 2.113 -0.153) 4.468 8.843 ( 1.281 2.037 -1.946) 3.094 8.946 ( 0.885 3.690 2.755) 4.689 9.404 ( 1.012 1.486 -0.038) 1.798 9.571 ( -0.781 -3.346 0.055) 3.436 ======================= Grid point 230 (82/324) ======================= q-point: (-0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 4.579 -0.947 -1.239) 4.838 1.372 ( -11.339 11.981 5.158) 17.284 1.631 ( -3.235 17.145 -0.586) 17.458 1.859 ( 1.711 -5.207 -0.277) 5.488 1.985 ( -1.457 1.452 -2.985) 3.625 2.088 ( -3.365 -1.850 -1.283) 4.049 2.277 ( 0.388 5.592 -3.266) 6.488 2.414 ( -2.510 1.524 1.203) 3.174 2.514 ( -0.905 -1.723 -3.045) 3.614 2.579 ( 3.049 5.508 -0.525) 6.318 2.614 ( 2.273 7.185 -2.044) 7.808 2.739 ( 0.265 3.034 -0.367) 3.068 2.798 ( -1.271 1.126 2.077) 2.683 2.931 ( 1.276 9.381 1.831) 9.642 3.100 ( 2.208 11.562 4.300) 12.532 3.178 ( -0.861 4.577 1.254) 4.823 3.369 ( -2.622 -6.010 0.192) 6.560 3.508 ( 0.238 1.209 -1.124) 1.668 3.708 ( -1.871 3.072 -0.206) 3.603 3.779 ( 0.327 -1.830 -1.460) 2.364 3.959 ( 1.592 -0.751 1.901) 2.591 4.184 ( -0.441 2.038 -0.890) 2.267 4.307 ( 0.387 -0.944 0.144) 1.031 4.356 ( -1.885 -0.561 -0.194) 1.976 6.801 ( 0.075 9.659 1.943) 9.853 7.296 ( 2.932 15.435 -2.021) 15.841 7.560 ( 0.963 8.094 0.144) 8.153 7.574 ( 2.910 3.944 -1.610) 5.159 8.173 ( -1.415 7.552 -1.690) 7.867 8.218 ( -0.994 10.649 1.187) 10.760 8.483 ( 0.426 6.477 -0.059) 6.492 8.707 ( -1.848 2.530 -1.428) 3.443 8.778 ( -2.374 3.800 -1.489) 4.722 8.873 ( 1.425 4.956 3.561) 6.267 9.395 ( 1.067 0.090 -0.135) 1.079 9.628 ( -0.552 -3.082 -0.006) 3.131 ======================= Grid point 231 (83/324) ======================= q-point: (-0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -5.333 14.804 6.949) 17.201 1.225 ( -10.507 15.797 -1.379) 19.023 1.314 ( 3.257 -0.403 1.128) 3.470 1.913 ( 2.539 1.559 -0.875) 3.105 1.933 ( -1.812 2.877 -1.881) 3.885 2.140 ( -0.841 -3.896 -2.398) 4.652 2.176 ( 2.193 4.791 -5.253) 7.441 2.328 ( 1.867 16.103 2.225) 16.363 2.383 ( -1.648 5.886 3.477) 7.032 2.474 ( -0.360 7.190 0.345) 7.207 2.561 ( -2.375 0.793 -4.538) 5.183 2.622 ( -0.167 7.126 -3.639) 8.003 2.725 ( 3.102 10.191 4.926) 11.737 2.795 ( -1.986 -0.797 -0.342) 2.167 2.982 ( 2.250 3.220 6.486) 7.583 3.125 ( 0.452 2.262 0.158) 2.312 3.443 ( 2.004 -0.288 -0.512) 2.089 3.467 ( -0.598 3.258 -1.116) 3.495 3.639 ( -3.180 0.461 1.064) 3.385 3.825 ( -0.678 -2.673 -2.704) 3.862 3.984 ( 2.736 0.080 1.749) 3.248 4.058 ( -1.838 9.094 -0.968) 9.328 4.334 ( 1.502 -1.373 0.256) 2.051 4.402 ( -1.932 -4.502 -0.483) 4.922 6.612 ( 0.160 11.135 1.724) 11.268 6.995 ( 2.039 17.349 -5.512) 18.318 7.368 ( 1.653 11.401 2.172) 11.723 7.509 ( 0.863 3.999 -2.521) 4.805 8.021 ( 0.235 10.496 2.315) 10.751 8.058 ( -0.206 4.171 -0.951) 4.283 8.381 ( -0.496 4.424 0.046) 4.452 8.615 ( 0.399 6.392 -3.759) 7.426 8.717 ( -3.341 0.446 0.488) 3.406 8.804 ( 0.864 3.793 3.885) 5.497 9.407 ( 0.840 -0.833 -0.212) 1.202 9.679 ( -0.366 -2.602 -0.047) 2.628 ======================= Grid point 232 (84/324) ======================= q-point: (-0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -3.525 12.533 12.730) 18.209 0.835 ( -5.936 18.435 4.842) 19.963 1.374 ( 1.648 0.787 -0.246) 1.842 1.718 ( 2.324 20.829 3.536) 21.254 1.902 ( -2.325 0.888 -1.289) 2.803 1.988 ( 4.440 12.230 2.300) 13.212 2.090 ( 2.677 7.574 -2.226) 8.336 2.171 ( 2.639 6.205 -2.788) 7.297 2.247 ( -0.871 6.892 -5.909) 9.120 2.342 ( -1.543 5.894 -0.178) 6.095 2.448 ( -2.124 -0.544 3.091) 3.789 2.608 ( -1.204 0.636 0.197) 1.376 2.642 ( 1.926 1.519 0.840) 2.593 2.813 ( -0.847 -2.020 0.453) 2.237 2.964 ( -0.126 1.461 2.609) 2.993 3.082 ( -0.554 3.083 -0.059) 3.133 3.324 ( 2.469 7.951 -0.993) 8.385 3.457 ( 3.160 -0.064 -0.758) 3.251 3.689 ( -2.680 -2.449 0.825) 3.723 3.749 ( -2.363 8.712 -2.257) 9.305 3.951 ( 1.663 -0.652 -0.307) 1.812 3.992 ( -0.409 0.508 1.173) 1.342 4.367 ( 0.490 -1.504 1.096) 1.924 4.483 ( -0.847 -4.693 -0.986) 4.870 6.395 ( -0.093 12.187 0.981) 12.227 6.630 ( -0.608 21.497 -13.030) 25.145 7.219 ( 0.727 4.193 4.708) 6.346 7.451 ( 0.754 1.740 -1.885) 2.674 7.841 ( 0.407 9.670 4.526) 10.684 7.994 ( 0.944 3.291 -0.403) 3.448 8.314 ( -0.555 2.499 0.107) 2.562 8.497 ( -0.551 4.604 -3.256) 5.666 8.716 ( 0.835 -0.560 0.289) 1.047 8.757 ( -0.855 1.990 3.819) 4.391 9.429 ( 0.419 -1.135 -0.213) 1.228 9.721 ( -0.181 -1.962 -0.061) 1.971 ======================= Grid point 235 (85/324) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 19.832 0.000 11.062) 22.708 0.811 ( 12.648 0.000 16.218) 20.567 0.902 ( -4.143 -0.000 -0.276) 4.152 1.368 ( 20.382 0.000 24.902) 32.180 1.669 ( 1.346 0.000 2.973) 3.264 1.801 ( -3.154 -0.000 -11.756) 12.172 1.914 ( -2.980 -0.000 1.123) 3.185 2.108 ( 3.842 0.000 5.167) 6.439 2.173 ( -2.657 -0.000 -3.479) 4.378 2.224 ( 11.305 0.000 -8.813) 14.334 2.484 ( -4.638 -0.000 3.942) 6.087 2.678 ( 2.533 0.000 0.606) 2.604 2.713 ( 3.335 0.000 5.989) 6.855 2.773 ( -1.962 -0.000 -1.071) 2.235 2.828 ( 3.290 0.000 -0.770) 3.379 3.144 ( -0.515 -0.000 -0.197) 0.551 3.150 ( -5.091 -0.000 -6.373) 8.157 3.372 ( -5.895 -0.000 -1.968) 6.215 3.563 ( 2.171 0.000 0.335) 2.196 3.876 ( 0.510 0.000 1.035) 1.154 3.940 ( -1.125 -0.000 0.103) 1.130 4.010 ( -0.095 -0.000 0.670) 0.677 4.376 ( -6.102 -0.000 1.326) 6.244 4.633 ( 2.477 0.000 0.128) 2.481 5.289 ( 3.677 0.000 -0.515) 3.713 6.065 ( -4.429 -0.000 0.235) 4.435 7.290 ( -18.193 -0.000 6.054) 19.174 7.488 ( -1.044 -0.000 0.597) 1.202 7.527 ( -3.102 -0.000 2.801) 4.179 7.859 ( 2.757 0.000 -0.396) 2.786 8.386 ( 2.223 0.000 -4.541) 5.056 8.493 ( 9.399 0.000 -4.341) 10.353 8.709 ( -4.201 -0.000 3.411) 5.411 8.854 ( 7.315 0.000 1.324) 7.434 9.454 ( -1.655 -0.000 -0.570) 1.750 9.760 ( -0.106 -0.000 0.045) 0.115 ======================= Grid point 236 (86/324) ======================= q-point: ( 0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 17.246 -3.572 9.729) 20.121 0.933 ( 13.043 -2.381 12.876) 18.482 1.164 ( -5.905 -16.269 -4.065) 17.778 1.607 ( 13.226 -11.300 6.323) 18.509 1.802 ( 1.353 -9.362 2.928) 9.902 1.883 ( -3.778 -2.122 -1.630) 4.629 1.902 ( 2.121 -11.844 1.212) 12.094 2.117 ( 0.934 -0.817 -0.505) 1.340 2.224 ( -0.449 -5.233 0.692) 5.298 2.267 ( 11.715 -0.337 -6.587) 13.445 2.466 ( -4.352 0.148 2.202) 4.880 2.672 ( 4.665 4.869 2.725) 7.273 2.701 ( 1.923 -1.352 0.230) 2.362 2.773 ( -0.472 0.013 -0.049) 0.474 2.918 ( -2.724 -3.836 -1.522) 4.945 3.033 ( 4.881 -0.593 0.595) 4.953 3.307 ( -1.551 -1.374 -0.897) 2.258 3.344 ( -5.060 -11.233 -3.431) 12.789 3.546 ( -0.881 2.193 1.220) 2.659 3.842 ( 4.797 3.232 -0.089) 5.785 3.966 ( -0.222 -0.154 0.480) 0.551 3.994 ( 0.119 -0.106 0.483) 0.509 4.328 ( -5.864 1.352 0.952) 6.093 4.588 ( 2.657 4.006 -0.284) 4.815 5.758 ( -5.629 -35.345 -7.403) 36.548 6.135 ( -4.959 -9.552 0.408) 10.770 7.151 ( -12.238 4.274 4.756) 13.807 7.435 ( -0.706 1.164 -0.258) 1.385 7.650 ( -3.763 -8.877 2.734) 10.022 7.926 ( 1.088 -4.585 -0.056) 4.712 8.384 ( -2.770 -0.945 -2.935) 4.145 8.493 ( 12.717 3.278 -4.119) 13.764 8.709 ( -3.110 -1.485 4.189) 5.425 8.877 ( 7.201 1.347 1.089) 7.406 9.431 ( -1.843 1.216 -0.384) 2.242 9.749 ( -0.144 1.088 0.037) 1.098 ======================= Grid point 237 (87/324) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 6.019 -0.034 6.982) 9.218 1.101 ( 13.723 -4.857 6.091) 15.780 1.325 ( 2.237 -6.491 -3.031) 7.505 1.811 ( -1.151 -1.978 0.422) 2.327 1.878 ( 3.473 -6.977 -2.109) 8.074 2.068 ( -3.343 -12.239 -2.123) 12.863 2.134 ( -2.661 -6.164 -4.901) 8.312 2.265 ( 8.274 -11.882 1.904) 14.604 2.340 ( 1.548 -7.187 2.684) 7.827 2.352 ( 9.630 -6.122 1.721) 11.540 2.455 ( -2.202 -1.379 0.905) 2.752 2.597 ( 5.361 4.763 2.107) 7.474 2.740 ( -0.440 -1.498 -2.998) 3.381 2.806 ( 3.659 -2.180 2.629) 5.005 2.930 ( -0.886 -3.303 -1.866) 3.896 3.156 ( 1.937 -5.298 3.626) 6.706 3.350 ( -2.084 -3.942 -0.475) 4.484 3.497 ( -1.888 0.413 0.213) 1.944 3.553 ( -4.642 -11.832 -2.067) 12.877 3.808 ( 6.891 3.575 -0.625) 7.789 3.905 ( -1.894 4.045 0.144) 4.469 4.061 ( 3.116 -4.370 -0.050) 5.368 4.282 ( -4.904 0.718 0.323) 4.967 4.521 ( 2.481 4.548 -0.424) 5.198 6.303 ( -5.706 -22.840 -4.086) 23.893 6.362 ( -4.987 -20.910 -1.356) 21.539 7.077 ( -10.105 -1.717 2.490) 10.548 7.450 ( -0.100 -2.968 -0.763) 3.066 7.802 ( -3.957 -8.746 1.624) 9.735 8.013 ( 0.642 -4.518 0.047) 4.564 8.403 ( -2.247 -3.291 -1.667) 4.319 8.516 ( 11.132 -0.149 -2.834) 11.489 8.749 ( -2.539 -3.226 3.516) 5.405 8.885 ( 6.764 1.579 0.683) 6.980 9.396 ( -2.106 1.308 -0.281) 2.495 9.720 ( -0.164 1.901 0.036) 1.908 ======================= Grid point 238 (88/324) ======================= q-point: ( 0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -1.522 5.947 -1.218) 6.258 1.288 ( 7.906 -8.283 4.983) 12.488 1.490 ( 7.615 -8.002 -0.663) 11.066 1.851 ( -0.585 -3.152 1.069) 3.380 1.970 ( 4.558 -1.450 -1.117) 4.912 2.189 ( -5.384 -4.670 -4.239) 8.293 2.215 ( -0.039 -3.943 -4.013) 5.626 2.352 ( 2.755 0.653 -0.457) 2.868 2.453 ( 6.932 -3.927 -0.581) 7.988 2.500 ( 3.521 -0.203 -0.215) 3.534 2.570 ( -0.259 -8.007 2.074) 8.275 2.692 ( 2.599 -9.217 3.356) 10.148 2.757 ( 0.676 -1.246 -2.426) 2.810 2.901 ( 1.913 -8.315 2.251) 8.824 3.042 ( 3.080 -6.622 1.971) 7.564 3.219 ( -2.342 -0.314 3.353) 4.102 3.346 ( -5.187 0.050 0.128) 5.189 3.575 ( 2.077 -6.370 -1.761) 6.927 3.704 ( -2.315 -4.615 -0.023) 5.163 3.771 ( 7.420 2.269 -0.075) 7.759 3.836 ( -3.361 1.126 -0.728) 3.619 4.156 ( 2.649 -2.914 -0.742) 4.007 4.268 ( -1.909 -1.771 0.197) 2.611 4.445 ( 2.080 4.535 -0.345) 5.001 6.572 ( -2.402 -13.295 1.305) 13.573 6.793 ( -5.328 -22.625 -3.212) 23.465 7.133 ( -8.984 -9.651 0.621) 13.200 7.510 ( -1.444 -2.873 -0.923) 3.345 7.958 ( -1.836 -10.292 0.217) 10.456 8.124 ( 1.274 -7.188 -0.150) 7.302 8.474 ( 1.089 -4.519 -0.787) 4.715 8.591 ( 6.343 -3.553 -1.545) 7.433 8.807 ( -2.969 -3.593 1.766) 4.985 8.891 ( 6.223 1.255 0.892) 6.410 9.365 ( -2.275 0.635 -0.201) 2.370 9.678 ( -0.114 2.447 0.077) 2.451 ======================= Grid point 239 (89/324) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -3.618 2.466 -1.740) 4.711 1.492 ( 3.255 -9.410 1.628) 10.089 1.659 ( 5.314 -6.039 -0.229) 8.047 1.891 ( 4.639 0.977 -0.008) 4.741 2.017 ( 3.267 -2.420 1.658) 4.391 2.223 ( -1.497 -2.162 -2.963) 3.962 2.264 ( 0.861 -2.724 -3.427) 4.462 2.345 ( -1.504 -0.024 0.159) 1.512 2.509 ( 2.602 -1.406 -1.507) 3.319 2.573 ( 9.289 -2.402 0.321) 9.600 2.695 ( -1.618 -5.616 2.803) 6.482 2.773 ( 0.164 -0.662 -1.171) 1.355 2.790 ( -2.878 -2.411 -0.796) 3.837 3.080 ( -1.398 -6.026 -0.008) 6.186 3.169 ( -1.420 -0.361 3.038) 3.373 3.195 ( 0.987 -3.809 1.900) 4.369 3.360 ( -2.786 -3.952 -0.312) 4.846 3.626 ( 5.602 3.786 -0.635) 6.791 3.737 ( 0.211 -4.862 -0.667) 4.912 3.816 ( -4.782 -1.226 0.626) 4.976 3.860 ( 5.895 -3.995 0.172) 7.123 4.166 ( -0.592 1.279 -0.227) 1.428 4.307 ( 1.428 0.512 -0.111) 1.521 4.395 ( 1.434 0.119 -0.265) 1.463 6.794 ( -0.356 -10.964 1.793) 11.116 7.088 ( -8.336 -14.004 -1.024) 16.330 7.364 ( -2.874 -16.235 -0.983) 16.517 7.522 ( -3.227 -0.653 -0.511) 3.331 8.176 ( 1.842 -12.455 -0.703) 12.610 8.292 ( 0.724 -10.216 -0.183) 10.243 8.565 ( 4.122 -3.815 -0.580) 5.647 8.691 ( 1.507 -4.893 -0.514) 5.146 8.845 ( -2.439 -1.580 0.227) 2.915 8.908 ( 3.928 -0.028 1.402) 4.171 9.353 ( -2.205 -0.648 -0.182) 2.306 9.630 ( 0.141 2.669 0.171) 2.679 ======================= Grid point 240 (90/324) ======================= q-point: ( 0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -3.765 -4.871 -0.581) 6.184 1.653 ( -0.348 -4.776 -0.119) 4.790 1.719 ( 6.549 1.699 -0.038) 6.766 1.916 ( 3.485 -3.069 0.195) 4.648 2.087 ( 2.673 -2.367 1.624) 3.922 2.254 ( 2.715 -1.666 -2.938) 4.333 2.322 ( -0.078 -3.194 -2.442) 4.021 2.343 ( -1.892 -1.051 0.990) 2.380 2.546 ( -0.226 -1.881 0.180) 1.903 2.657 ( 8.612 -1.797 0.355) 8.804 2.722 ( -5.951 2.504 0.821) 6.509 2.787 ( 0.298 -3.354 0.594) 3.419 2.840 ( -0.381 -3.869 -0.374) 3.906 3.103 ( -3.553 2.518 -1.736) 4.688 3.117 ( -1.978 0.706 2.817) 3.513 3.292 ( 0.721 -2.691 -0.470) 2.825 3.440 ( -0.496 -3.932 -0.521) 3.997 3.594 ( 4.086 0.845 -0.980) 4.286 3.803 ( -1.382 -0.426 0.211) 1.461 3.844 ( 0.905 -3.788 0.473) 3.924 3.949 ( 3.043 -2.714 0.776) 4.150 4.128 ( -0.151 2.270 0.508) 2.331 4.262 ( -0.318 2.917 -0.128) 2.937 4.430 ( 1.438 -1.455 -0.056) 2.047 6.989 ( 0.836 -9.554 1.498) 9.707 7.265 ( -8.408 -8.765 -0.044) 12.146 7.479 ( -1.322 -1.270 -0.819) 2.007 7.671 ( -0.648 -12.761 -0.078) 12.778 8.409 ( 3.713 -10.952 -1.512) 11.663 8.495 ( -0.165 -10.471 0.078) 10.472 8.648 ( 5.120 -2.504 -0.394) 5.713 8.772 ( -1.159 -3.465 -0.741) 3.728 8.853 ( -1.211 -0.502 0.608) 1.446 8.923 ( 0.504 0.071 1.318) 1.413 9.366 ( -1.970 -1.883 -0.236) 2.735 9.583 ( 0.623 2.581 0.312) 2.673 ======================= Grid point 241 (91/324) ======================= q-point: ( 0.57 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -3.006 -9.977 0.171) 10.421 1.576 ( 5.893 9.516 0.857) 11.225 1.803 ( -0.002 -5.339 -1.262) 5.486 1.990 ( -0.863 -2.723 -0.428) 2.889 2.118 ( 1.642 0.482 0.193) 1.722 2.296 ( 2.231 -1.081 -2.103) 3.251 2.340 ( -0.720 -0.829 0.551) 1.228 2.403 ( 2.601 -3.925 0.440) 4.729 2.576 ( -1.161 -1.575 1.006) 2.200 2.641 ( -4.383 3.202 0.023) 5.428 2.713 ( 4.899 -0.604 1.014) 5.039 2.857 ( 1.497 -3.230 -0.385) 3.581 2.909 ( -2.241 -3.810 0.854) 4.502 3.042 ( 0.140 1.806 -1.382) 2.278 3.082 ( -5.167 2.189 1.648) 5.848 3.308 ( 0.549 -0.304 -1.201) 1.355 3.491 ( 5.066 -0.559 -0.223) 5.102 3.611 ( -2.101 -1.458 -3.000) 3.942 3.777 ( -0.250 2.546 1.272) 2.857 3.907 ( 1.669 -1.593 -0.199) 2.316 3.993 ( 0.218 -0.890 1.348) 1.630 4.093 ( 0.142 1.356 0.859) 1.612 4.219 ( -0.969 1.044 0.206) 1.439 4.449 ( 0.841 -0.123 0.036) 0.851 7.165 ( 1.707 -7.809 1.092) 8.068 7.294 ( -5.319 0.195 -0.054) 5.323 7.561 ( -0.808 -6.846 0.508) 6.912 7.844 ( 0.154 -5.468 -0.223) 5.474 8.607 ( 3.377 -6.429 -1.615) 7.439 8.628 ( -1.052 -5.006 -0.273) 5.123 8.714 ( 4.553 -2.058 -0.360) 5.009 8.791 ( -1.103 0.350 -1.304) 1.743 8.867 ( 0.222 -0.560 0.750) 0.962 8.924 ( -2.732 -1.159 2.079) 3.624 9.399 ( -1.633 -2.621 -0.262) 3.099 9.541 ( 0.997 2.534 0.433) 2.757 ======================= Grid point 242 (92/324) ======================= q-point: (-0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.954 -10.993 0.043) 11.034 1.423 ( 3.853 8.877 0.955) 9.724 1.877 ( 0.622 -2.263 -1.126) 2.603 1.983 ( -3.775 1.925 -1.161) 4.394 2.103 ( -0.723 0.879 0.544) 1.262 2.290 ( 1.879 2.640 -2.227) 3.932 2.347 ( -0.467 -0.525 0.390) 0.804 2.499 ( 0.627 -3.107 0.618) 3.230 2.558 ( -2.135 1.901 1.588) 3.270 2.618 ( 1.563 -2.359 0.208) 2.837 2.741 ( 5.770 1.185 1.025) 5.979 2.884 ( -0.239 0.803 -0.621) 1.043 2.948 ( -1.465 -0.911 0.110) 1.729 2.972 ( -4.683 3.724 -2.873) 6.637 3.069 ( -3.058 -2.897 2.891) 5.109 3.343 ( 2.178 -3.028 -0.193) 3.735 3.494 ( 4.560 2.757 -3.203) 6.217 3.605 ( -1.176 1.045 -0.233) 1.591 3.730 ( -1.147 1.518 0.524) 1.973 3.912 ( 1.054 1.655 -0.614) 2.056 3.981 ( -1.781 1.885 2.425) 3.551 4.093 ( 0.342 -0.987 0.593) 1.201 4.215 ( -0.796 -0.894 0.316) 1.238 4.447 ( 0.243 0.615 0.033) 0.662 7.191 ( -1.901 3.836 1.067) 4.412 7.363 ( 1.617 -7.569 -0.202) 7.742 7.670 ( 0.649 -4.101 0.915) 4.252 7.876 ( -0.607 1.611 -0.418) 1.772 8.592 ( -1.778 3.415 -0.579) 3.894 8.687 ( -0.830 4.737 -0.826) 4.880 8.770 ( 3.609 -2.550 -1.283) 4.602 8.790 ( 2.127 -1.514 -0.686) 2.699 8.853 ( -0.734 1.588 -0.013) 1.749 8.962 ( -2.076 -2.773 2.501) 4.272 9.445 ( -1.068 -2.934 -0.279) 3.134 9.498 ( 0.823 2.628 0.489) 2.797 ======================= Grid point 243 (93/324) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 5.115 6.570 0.093) 8.327 1.433 ( -3.414 -11.382 -0.156) 11.884 1.817 ( -2.425 8.624 1.128) 9.029 1.955 ( -1.055 -1.372 -1.613) 2.366 2.086 ( -1.666 0.465 0.196) 1.741 2.193 ( -0.983 7.793 -2.459) 8.231 2.361 ( 0.026 -0.613 0.131) 0.627 2.480 ( -0.448 1.250 -2.833) 3.129 2.565 ( -2.323 0.040 0.142) 2.328 2.655 ( 3.522 4.606 -0.196) 5.802 2.724 ( 3.256 -0.835 4.669) 5.754 2.836 ( -0.347 2.551 -1.773) 3.126 2.902 ( -0.202 2.893 -1.672) 3.348 2.974 ( 2.730 -1.826 0.397) 3.309 3.115 ( -7.859 -4.461 1.478) 9.157 3.413 ( -0.225 0.791 -3.238) 3.341 3.439 ( 3.249 0.273 -0.373) 3.282 3.536 ( 1.883 6.974 2.341) 7.594 3.726 ( -1.582 -1.354 -0.448) 2.131 3.860 ( 1.183 4.143 0.176) 4.313 3.945 ( -1.521 0.893 2.100) 2.742 4.123 ( -0.357 -1.979 0.178) 2.019 4.239 ( -0.521 -1.763 0.226) 1.852 4.428 ( -0.248 1.454 -0.045) 1.476 7.093 ( -0.970 5.918 1.537) 6.190 7.499 ( 2.126 -5.604 -0.970) 6.072 7.708 ( 3.905 2.244 0.713) 4.560 7.790 ( -3.202 5.526 -0.604) 6.415 8.488 ( -1.285 6.684 -1.210) 6.913 8.554 ( -1.674 7.937 -0.320) 8.118 8.735 ( 2.256 4.646 -0.218) 5.170 8.797 ( -2.405 3.032 0.346) 3.885 8.860 ( 2.450 -1.199 -2.159) 3.479 8.988 ( -0.818 0.028 2.473) 2.605 9.447 ( 0.631 2.469 0.182) 2.555 9.505 ( -0.739 -3.267 -0.047) 3.350 ======================= Grid point 244 (94/324) ======================= q-point: (-0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 1.591 2.593 -1.006) 3.204 1.576 ( -3.820 8.712 1.461) 9.624 1.654 ( -2.409 -6.162 1.113) 6.709 1.961 ( 4.039 8.674 -1.449) 9.677 1.983 ( -6.464 4.235 -3.294) 8.400 2.073 ( -0.415 0.531 -0.799) 1.046 2.352 ( -0.126 1.968 -1.716) 2.615 2.467 ( -0.091 4.013 -0.341) 4.029 2.477 ( -1.895 0.882 -3.190) 3.813 2.623 ( 0.639 0.084 -0.033) 0.646 2.734 ( 3.412 4.010 -0.775) 5.322 2.819 ( 1.808 -0.257 3.228) 3.709 2.821 ( 0.589 5.324 0.209) 5.360 3.019 ( 2.961 0.091 0.724) 3.050 3.179 ( -6.763 -5.807 -0.180) 8.916 3.296 ( -0.902 7.638 -0.047) 7.691 3.382 ( 2.154 9.637 2.779) 10.258 3.501 ( 1.105 -2.093 -1.114) 2.616 3.736 ( -1.054 0.350 -0.150) 1.121 3.791 ( 1.544 3.043 0.013) 3.413 3.947 ( -0.546 -0.947 1.934) 2.222 4.162 ( -0.551 -2.429 -0.626) 2.568 4.273 ( -0.314 -2.043 0.154) 2.073 4.387 ( -0.491 2.720 -0.175) 2.769 6.966 ( -0.476 7.761 1.931) 8.012 7.566 ( 0.479 9.102 -0.652) 9.138 7.578 ( 2.530 1.816 -2.227) 3.828 7.703 ( -0.874 4.130 0.395) 4.240 8.326 ( -0.396 9.374 -2.113) 9.618 8.394 ( -1.138 8.533 0.773) 8.643 8.626 ( 1.216 7.722 -0.135) 7.818 8.731 ( -2.079 2.261 -0.085) 3.073 8.846 ( 0.813 3.083 -2.143) 3.842 8.961 ( -0.140 3.000 2.768) 4.084 9.412 ( 0.475 1.389 0.106) 1.471 9.565 ( -0.449 -3.403 -0.118) 3.434 ======================= Grid point 245 (95/324) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -2.249 -2.385 -3.124) 4.528 1.306 ( -3.994 15.220 5.456) 16.655 1.606 ( -1.038 17.102 -1.230) 17.177 1.849 ( -2.933 -6.432 -1.972) 7.340 1.973 ( 2.162 1.257 -1.663) 3.004 2.071 ( 0.548 -1.251 -1.653) 2.144 2.274 ( 1.985 5.279 -4.116) 6.983 2.392 ( -2.509 1.836 0.389) 3.133 2.499 ( 0.010 -1.865 -2.980) 3.516 2.587 ( -2.221 4.112 -0.104) 4.674 2.645 ( 5.390 8.104 -0.725) 9.760 2.746 ( 1.010 3.492 0.546) 3.676 2.797 ( -0.249 4.007 1.643) 4.338 2.958 ( 2.183 8.982 3.014) 9.723 3.120 ( -2.355 8.619 2.761) 9.352 3.179 ( 1.102 3.739 2.487) 4.624 3.363 ( 0.933 -5.810 1.059) 5.979 3.507 ( 0.295 1.493 -1.283) 1.990 3.693 ( -0.724 3.444 -0.476) 3.551 3.777 ( 0.397 -0.814 -1.553) 1.798 3.971 ( -0.864 -1.305 1.811) 2.394 4.178 ( 0.075 2.179 -1.062) 2.425 4.309 ( -0.245 -1.824 0.088) 1.842 4.343 ( -0.345 0.215 -0.379) 0.556 6.807 ( -0.541 9.514 2.065) 9.751 7.303 ( 0.230 15.717 -2.418) 15.904 7.544 ( -2.436 5.836 -1.659) 6.538 7.601 ( 1.980 5.642 -0.141) 5.981 8.156 ( -0.560 7.609 -1.701) 7.817 8.222 ( 0.790 9.877 1.175) 9.978 8.486 ( -0.076 6.878 0.039) 6.879 8.695 ( 0.911 1.478 -0.866) 1.940 8.753 ( -1.468 5.637 -2.039) 6.171 8.896 ( 0.309 4.372 3.459) 5.584 9.401 ( 0.264 0.019 -0.040) 0.268 9.624 ( -0.245 -3.111 -0.128) 3.124 ======================= Grid point 246 (96/324) ======================= q-point: (-0.07 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.449 15.140 8.576) 17.406 1.122 ( -7.500 10.002 -3.315) 12.933 1.354 ( 3.747 3.757 -0.083) 5.307 1.897 ( -2.869 0.084 -1.410) 3.198 1.930 ( 1.233 3.986 -1.608) 4.471 2.144 ( 3.184 -4.767 -2.363) 6.201 2.189 ( 4.959 4.408 -5.589) 8.676 2.339 ( -1.379 4.651 -0.946) 4.943 2.417 ( 4.933 16.965 7.453) 19.175 2.466 ( -1.876 7.075 0.805) 7.364 2.523 ( -1.698 3.548 -3.603) 5.335 2.608 ( -0.667 5.996 -2.030) 6.365 2.769 ( 1.616 6.583 0.109) 6.779 2.784 ( 0.563 2.224 3.840) 4.474 3.006 ( -1.098 3.598 3.555) 5.176 3.148 ( 2.844 2.511 2.430) 4.505 3.447 ( -0.467 1.186 -0.403) 1.337 3.481 ( 3.621 0.550 -0.872) 3.765 3.621 ( -0.791 0.872 0.578) 1.312 3.802 ( -1.663 -1.376 -3.192) 3.853 3.977 ( -4.162 0.641 1.071) 4.345 4.069 ( 3.557 7.648 -0.333) 8.441 4.338 ( -1.318 -1.652 0.358) 2.143 4.392 ( 0.688 -4.376 -0.805) 4.502 6.615 ( -0.940 11.137 1.785) 11.318 6.976 ( -1.321 18.587 -5.924) 19.553 7.359 ( -4.635 9.693 1.580) 10.860 7.517 ( 2.153 4.761 -1.912) 5.564 8.020 ( -1.869 8.028 1.316) 8.347 8.068 ( 2.235 5.857 0.169) 6.271 8.382 ( 0.851 4.381 0.072) 4.464 8.600 ( -0.623 7.124 -3.551) 7.985 8.710 ( 1.929 -0.360 0.215) 1.974 8.824 ( 0.012 3.989 3.885) 5.568 9.410 ( -0.188 -0.850 -0.141) 0.882 9.677 ( -0.069 -2.626 -0.120) 2.630 ======================= Grid point 250 (97/324) ======================= q-point: ( 0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -4.750 -0.000 -0.690) 4.800 0.996 ( 11.900 0.000 14.173) 18.506 1.000 ( 18.803 0.000 8.846) 20.780 1.658 ( 20.722 0.000 15.836) 26.081 1.667 ( -2.074 -0.000 -4.563) 5.013 1.749 ( 0.202 0.000 -4.308) 4.312 1.888 ( -3.166 -0.000 0.876) 3.285 2.135 ( -2.429 -0.000 -2.686) 3.621 2.156 ( 2.606 0.000 4.217) 4.957 2.314 ( 12.583 0.000 -5.958) 13.922 2.449 ( -4.564 -0.000 2.024) 4.992 2.674 ( -2.847 -0.000 -1.766) 3.350 2.764 ( 2.686 0.000 4.264) 5.040 2.778 ( 2.625 0.000 1.453) 3.001 2.866 ( 4.101 0.000 -1.228) 4.281 3.095 ( -0.687 -0.000 -4.342) 4.396 3.137 ( -0.707 -0.000 -0.292) 0.765 3.311 ( -5.094 -0.000 -1.468) 5.301 3.562 ( -2.914 -0.000 1.369) 3.220 3.909 ( 4.595 0.000 -0.166) 4.598 3.927 ( -1.471 -0.000 0.015) 1.471 4.018 ( 1.436 0.000 0.786) 1.637 4.313 ( -6.994 -0.000 0.691) 7.028 4.657 ( 2.073 0.000 0.076) 2.074 5.331 ( 5.147 0.000 -0.463) 5.168 6.012 ( -6.300 -0.000 0.072) 6.300 7.144 ( -15.751 -0.000 5.007) 16.528 7.481 ( -0.943 -0.000 0.579) 1.107 7.510 ( -2.324 -0.000 1.384) 2.705 7.887 ( 3.089 0.000 -0.369) 3.111 8.356 ( -3.785 -0.000 -2.803) 4.710 8.583 ( 11.722 0.000 -6.940) 13.622 8.687 ( -3.066 -0.000 4.417) 5.377 8.929 ( 6.423 0.000 1.957) 6.714 9.433 ( -2.026 -0.000 -0.597) 2.112 9.758 ( -0.364 -0.000 0.126) 0.385 ======================= Grid point 251 (98/324) ======================= q-point: ( 0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.299 -8.642 0.303) 8.652 1.126 ( 14.732 -2.179 6.813) 16.377 1.158 ( 9.075 -9.899 8.795) 16.053 1.681 ( 3.105 -7.344 -7.144) 10.706 1.831 ( 1.827 -9.632 1.694) 9.949 1.840 ( -4.123 1.799 -0.348) 4.512 1.956 ( 4.153 -11.854 2.372) 12.783 2.135 ( 4.064 -3.572 1.528) 5.623 2.233 ( 1.538 -4.983 3.284) 6.163 2.367 ( 11.801 -0.394 -3.370) 12.279 2.430 ( -3.749 -0.094 1.355) 3.988 2.683 ( -1.670 -2.841 -2.447) 4.105 2.742 ( 5.296 5.306 1.882) 7.730 2.801 ( 3.573 -1.037 2.213) 4.329 2.878 ( -2.846 -0.931 -2.281) 3.764 3.095 ( 6.128 -2.769 1.491) 6.888 3.280 ( -3.386 -1.268 -1.236) 3.821 3.288 ( -3.480 -11.917 -1.484) 12.503 3.522 ( -4.346 2.310 1.011) 5.025 3.875 ( 1.167 2.181 -0.813) 2.603 3.989 ( 4.518 1.631 0.489) 4.828 3.997 ( 0.298 -2.005 0.315) 2.052 4.271 ( -5.739 0.872 0.332) 5.815 4.613 ( 2.378 4.102 -0.125) 4.743 5.702 ( -1.449 -30.053 -3.912) 30.341 6.080 ( -6.260 -10.268 0.244) 12.028 7.045 ( -12.052 2.408 3.235) 12.709 7.427 ( -0.757 0.994 -0.143) 1.258 7.625 ( -3.086 -8.343 1.543) 9.028 7.940 ( 1.743 -3.577 -0.183) 3.984 8.339 ( -3.755 -1.228 -2.369) 4.606 8.596 ( 11.165 2.146 -5.564) 12.658 8.698 ( -1.878 -1.426 4.335) 4.935 8.948 ( 5.746 1.399 1.645) 6.138 9.410 ( -1.853 1.190 -0.463) 2.250 9.746 ( -0.474 1.042 0.169) 1.157 ======================= Grid point 252 (99/324) ======================= q-point: ( 0.36 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.789 3.708 1.035) 3.930 1.243 ( 10.340 -3.013 6.063) 12.360 1.388 ( 10.723 -7.779 0.662) 13.264 1.796 ( -2.545 -1.257 1.212) 3.086 1.892 ( 1.784 -10.485 -4.205) 11.437 2.032 ( -2.085 -8.661 -1.636) 9.058 2.079 ( -3.998 -6.768 -4.900) 9.263 2.315 ( 1.588 -6.603 -1.464) 6.947 2.399 ( 5.659 -8.161 6.842) 12.060 2.425 ( 1.267 -3.361 -2.620) 4.446 2.474 ( 8.804 -5.821 4.070) 11.312 2.663 ( 4.716 4.378 1.418) 6.589 2.727 ( 1.304 -1.777 -2.894) 3.638 2.848 ( 2.837 -0.592 0.790) 3.004 2.922 ( 0.604 -6.634 -0.184) 6.664 3.177 ( -0.150 -2.952 2.307) 3.749 3.322 ( -3.737 -2.188 0.766) 4.398 3.476 ( -1.804 -2.069 -0.740) 2.843 3.507 ( -3.730 -12.203 -0.236) 12.763 3.845 ( 0.756 1.205 -1.362) 1.969 3.907 ( 2.245 6.139 0.519) 6.557 4.102 ( 5.247 -4.850 -0.290) 7.151 4.233 ( -4.874 0.107 -0.071) 4.875 4.543 ( 2.276 4.631 -0.200) 5.164 6.237 ( -4.202 -26.083 -3.451) 26.643 6.315 ( -4.412 -18.819 0.221) 19.330 6.984 ( -9.946 -1.846 1.481) 10.223 7.445 ( -0.430 -2.861 -0.612) 2.957 7.770 ( -3.335 -8.721 0.943) 9.385 8.022 ( 1.159 -4.632 -0.210) 4.780 8.372 ( -2.382 -4.495 -1.460) 5.292 8.616 ( 10.960 0.608 -3.209) 11.437 8.735 ( -2.515 -2.775 2.848) 4.705 8.948 ( 4.850 1.559 1.160) 5.224 9.374 ( -1.849 1.436 -0.324) 2.363 9.717 ( -0.508 1.821 0.201) 1.901 ======================= Grid point 253 (100/324) ======================= q-point: ( 0.43 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -1.065 7.759 -0.731) 7.866 1.378 ( 6.455 -5.748 4.101) 9.566 1.566 ( 8.101 -6.576 -1.410) 10.529 1.857 ( 0.254 -4.740 2.765) 5.494 2.016 ( 5.205 -2.262 -0.622) 5.709 2.121 ( -4.297 -5.085 -4.351) 7.953 2.191 ( -1.899 -5.586 -3.131) 6.680 2.355 ( -1.547 0.279 1.800) 2.390 2.520 ( 2.280 -1.303 -1.602) 3.076 2.552 ( 9.632 -4.802 -0.087) 10.763 2.588 ( 2.795 -4.576 2.422) 5.884 2.713 ( 0.188 -4.297 0.769) 4.370 2.758 ( 1.920 -1.314 -2.682) 3.550 2.920 ( 0.574 -7.503 0.826) 7.570 3.082 ( 2.988 -8.057 1.575) 8.736 3.197 ( -4.211 1.056 2.451) 4.985 3.296 ( -4.818 -0.752 0.196) 4.880 3.586 ( 1.499 -7.414 -1.180) 7.656 3.679 ( -3.538 -7.088 1.228) 8.017 3.792 ( -1.122 4.999 -0.070) 5.124 3.856 ( 6.261 -0.408 -0.956) 6.346 4.172 ( 0.686 -0.003 -0.752) 1.018 4.261 ( 0.900 -4.898 0.115) 4.982 4.462 ( 1.598 4.930 -0.150) 5.185 6.557 ( -1.563 -14.895 1.130) 15.019 6.731 ( -4.978 -21.497 -2.054) 22.161 7.052 ( -7.516 -11.377 0.371) 13.640 7.491 ( -1.654 -1.874 -0.831) 2.634 7.944 ( -1.094 -11.758 0.341) 11.814 8.136 ( 1.481 -7.131 -0.477) 7.299 8.469 ( -0.895 -6.561 -0.726) 6.661 8.665 ( 8.738 -0.893 -1.124) 8.855 8.782 ( -3.128 -3.131 0.814) 4.500 8.946 ( 3.829 1.124 1.060) 4.129 9.342 ( -1.921 0.733 -0.265) 2.073 9.676 ( -0.391 2.283 0.254) 2.331 ======================= Grid point 254 (101/324) ======================= q-point: ( 0.50 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -1.582 3.221 -0.205) 3.594 1.526 ( 2.317 -6.913 1.772) 7.503 1.710 ( 5.171 -5.446 -0.918) 7.566 1.941 ( 5.167 -0.826 1.354) 5.405 2.064 ( 4.158 -1.256 2.430) 4.977 2.182 ( -2.597 -4.512 -3.701) 6.387 2.260 ( -0.505 -3.692 -2.151) 4.303 2.335 ( -1.145 0.990 1.490) 2.125 2.525 ( 1.572 -0.312 -0.770) 1.778 2.673 ( 8.683 -1.705 0.362) 8.856 2.689 ( -0.971 -4.121 3.125) 5.262 2.760 ( -1.332 -1.727 -1.226) 2.502 2.774 ( 1.075 -1.150 -2.539) 2.987 3.053 ( -3.579 -5.223 -1.313) 6.466 3.138 ( -5.130 2.068 3.014) 6.299 3.231 ( 3.353 -5.555 0.578) 6.514 3.332 ( -2.497 -4.598 -0.810) 5.294 3.672 ( 3.981 3.461 -0.370) 5.288 3.733 ( -0.632 -4.928 -0.505) 4.994 3.768 ( -4.491 -3.763 0.585) 5.888 3.926 ( 6.494 -2.546 0.183) 6.977 4.157 ( -1.259 0.962 0.087) 1.587 4.326 ( 2.476 1.899 0.032) 3.120 4.405 ( 0.611 -0.487 -0.140) 0.793 6.805 ( 1.147 -11.355 1.565) 11.520 7.001 ( -8.368 -13.726 -0.513) 16.084 7.340 ( -1.487 -18.263 -0.549) 18.332 7.492 ( -2.450 -0.405 -0.426) 2.519 8.192 ( 1.532 -13.721 -0.165) 13.807 8.299 ( 0.990 -9.677 -0.549) 9.743 8.589 ( 1.128 -5.987 -0.645) 6.127 8.724 ( 4.778 -1.661 0.155) 5.061 8.815 ( -3.299 -2.065 0.024) 3.892 8.948 ( 2.697 0.816 0.895) 2.956 9.331 ( -1.903 -0.655 -0.307) 2.035 9.632 ( -0.041 2.387 0.356) 2.414 ======================= Grid point 255 (102/324) ======================= q-point: ( 0.57 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -1.392 -4.473 0.661) 4.731 1.651 ( -0.226 -4.830 0.582) 4.871 1.787 ( 6.917 1.285 -0.320) 7.043 1.948 ( 2.365 0.156 1.008) 2.575 2.119 ( 1.875 -1.546 1.621) 2.921 2.249 ( -0.477 -4.005 -2.436) 4.712 2.327 ( -0.527 -0.530 0.994) 1.243 2.335 ( 2.045 -4.393 -1.114) 4.972 2.544 ( -0.390 -1.228 0.369) 1.340 2.668 ( -5.530 1.958 1.118) 5.972 2.739 ( 6.843 0.325 0.809) 6.898 2.797 ( 1.102 -2.805 0.035) 3.014 2.833 ( -0.041 -4.096 -0.866) 4.187 3.062 ( -3.490 0.641 -1.035) 3.696 3.098 ( -3.342 1.117 2.106) 4.105 3.302 ( 1.916 -0.822 -1.736) 2.713 3.427 ( -1.301 -6.340 -0.644) 6.504 3.624 ( 2.673 2.654 -1.194) 3.952 3.783 ( -2.587 -1.528 0.472) 3.041 3.851 ( 0.477 -4.711 -0.552) 4.767 3.987 ( 3.727 -0.926 0.539) 3.878 4.128 ( -0.481 1.650 0.961) 1.969 4.260 ( -0.001 3.794 0.247) 3.802 4.442 ( 1.035 -1.361 0.014) 1.710 7.006 ( 1.461 -9.658 1.039) 9.823 7.191 ( -6.633 -9.302 0.569) 11.439 7.467 ( -0.563 -1.865 -0.409) 1.990 7.666 ( -0.371 -13.504 0.065) 13.510 8.438 ( 3.252 -11.347 -1.108) 11.856 8.493 ( -0.135 -10.021 -0.094) 10.022 8.690 ( 3.237 -3.600 -0.783) 4.905 8.766 ( 0.305 -1.355 -0.263) 1.413 8.833 ( -2.801 -1.644 1.264) 3.485 8.938 ( 1.184 1.499 0.667) 2.023 9.347 ( -1.607 -1.987 -0.402) 2.587 9.590 ( 0.393 2.271 0.493) 2.357 ======================= Grid point 256 (103/324) ======================= q-point: ( 0.64 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -1.046 -9.817 0.614) 9.891 1.625 ( 2.966 8.341 0.808) 8.890 1.817 ( 3.490 -3.231 -0.261) 4.763 1.970 ( -2.602 -1.253 -0.136) 2.891 2.129 ( 0.691 1.101 -0.211) 1.317 2.301 ( 0.635 -1.642 -0.963) 2.007 2.346 ( 1.191 -0.362 0.050) 1.246 2.433 ( 2.793 -4.505 0.724) 5.350 2.569 ( -1.697 -1.601 2.687) 3.559 2.604 ( -2.468 2.105 -1.030) 3.403 2.759 ( 3.086 -0.677 0.764) 3.251 2.862 ( -0.426 -2.987 -0.441) 3.049 2.895 ( -0.717 -2.745 0.326) 2.856 3.031 ( -4.472 4.570 0.375) 6.406 3.050 ( 0.713 -0.336 0.525) 0.947 3.312 ( 0.904 -0.932 -1.691) 2.132 3.533 ( 3.129 -3.990 0.033) 5.071 3.580 ( -1.184 2.166 -3.572) 4.342 3.774 ( -1.230 1.643 1.315) 2.437 3.912 ( 0.138 -1.461 -1.470) 2.077 4.003 ( 0.563 0.342 1.511) 1.648 4.101 ( 0.425 1.239 1.139) 1.736 4.211 ( -0.748 1.120 0.502) 1.437 4.457 ( 0.541 0.102 0.091) 0.558 7.187 ( 2.007 -7.690 0.754) 7.983 7.247 ( -4.120 -1.344 0.362) 4.349 7.559 ( -0.195 -7.069 0.783) 7.115 7.844 ( 0.059 -5.380 -0.187) 5.383 8.610 ( -0.577 -1.811 -0.227) 1.914 8.645 ( 3.498 -9.077 -1.397) 9.828 8.742 ( 1.543 0.198 -1.529) 2.182 8.783 ( 0.340 -1.534 -0.500) 1.648 8.865 ( -1.525 -2.118 1.942) 3.253 8.911 ( -1.103 0.837 1.265) 1.875 9.384 ( -1.020 -2.775 -0.427) 2.987 9.551 ( 0.531 2.397 0.586) 2.524 ======================= Grid point 257 (104/324) ======================= q-point: (-0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -0.437 -12.023 -0.006) 12.031 1.453 ( 1.267 10.323 0.766) 10.429 1.895 ( 3.327 -2.624 -0.493) 4.266 1.941 ( -3.376 3.026 -0.897) 4.622 2.099 ( -0.460 1.708 0.418) 1.817 2.298 ( 1.388 3.707 -2.192) 4.525 2.345 ( -0.286 -0.777 0.693) 1.080 2.489 ( -1.877 -0.096 -0.834) 2.056 2.552 ( -0.479 0.479 0.588) 0.897 2.644 ( 2.100 -4.515 2.612) 5.623 2.801 ( 4.894 0.743 0.201) 4.954 2.871 ( -2.594 2.322 -0.615) 3.535 2.917 ( -2.738 1.296 -1.298) 3.296 2.937 ( -0.847 -2.013 0.002) 2.184 3.061 ( -0.575 0.276 1.819) 1.927 3.358 ( 0.871 -3.530 -0.177) 3.640 3.498 ( -0.346 3.901 -5.043) 6.385 3.617 ( 2.966 -1.716 1.351) 3.683 3.724 ( -0.733 2.840 1.073) 3.123 3.901 ( -1.861 1.314 -1.935) 2.989 3.986 ( 0.249 2.160 3.022) 3.723 4.098 ( 0.208 -0.525 0.653) 0.863 4.209 ( -0.584 -0.966 0.305) 1.170 4.449 ( 0.101 0.840 0.039) 0.847 7.182 ( -0.786 3.773 1.200) 4.037 7.372 ( 0.484 -8.352 -0.331) 8.373 7.678 ( 0.040 -4.836 0.920) 4.923 7.870 ( -0.183 2.234 -0.450) 2.286 8.579 ( -0.324 3.784 -0.357) 3.815 8.676 ( -0.427 5.386 -1.213) 5.537 8.800 ( 2.604 -0.101 -0.580) 2.669 8.805 ( 1.753 -4.286 -1.451) 4.853 8.843 ( -1.190 2.579 0.142) 2.844 8.951 ( -2.035 -3.419 2.638) 4.773 9.436 ( -0.373 -3.153 -0.394) 3.199 9.505 ( 0.231 2.768 0.581) 2.838 ======================= Grid point 258 (105/324) ======================= q-point: (-0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -0.764 8.143 -0.012) 8.179 1.408 ( -0.756 -12.438 -0.646) 12.478 1.802 ( -1.272 9.626 0.808) 9.743 1.953 ( 1.799 -1.706 -1.164) 2.739 2.075 ( -0.372 0.752 0.132) 0.849 2.174 ( -0.665 8.988 -2.862) 9.456 2.360 ( -0.289 -0.262 -0.115) 0.407 2.465 ( -0.319 0.447 -2.890) 2.942 2.539 ( -2.185 1.631 -0.977) 2.896 2.677 ( 0.296 5.793 0.553) 5.827 2.763 ( 1.203 -2.498 4.246) 5.071 2.830 ( 0.533 1.795 -2.158) 2.857 2.924 ( 4.922 2.651 0.952) 5.671 3.007 ( 3.675 -4.735 -0.347) 6.004 3.043 ( -7.278 -1.690 1.049) 7.545 3.380 ( -2.479 2.895 -4.168) 5.647 3.459 ( 0.352 -1.999 0.351) 2.060 3.576 ( 3.528 7.776 2.760) 8.974 3.719 ( 0.528 -1.590 -0.269) 1.696 3.856 ( -1.535 2.216 -0.451) 2.733 3.951 ( 0.487 1.787 2.766) 3.329 4.118 ( -0.645 -1.598 -0.153) 1.730 4.235 ( -0.284 -1.849 0.189) 1.880 4.426 ( -0.081 1.627 -0.089) 1.632 7.093 ( -0.381 5.741 1.662) 5.989 7.506 ( 0.209 -5.666 -1.095) 5.774 7.728 ( -2.528 -0.218 0.314) 2.556 7.770 ( 1.646 7.889 -0.551) 8.078 8.481 ( 0.761 6.825 -0.993) 6.938 8.542 ( -0.324 7.989 -0.621) 8.020 8.752 ( 0.942 4.771 -0.203) 4.868 8.776 ( -1.399 3.349 0.170) 3.634 8.873 ( 1.799 -0.731 -2.058) 2.830 8.986 ( -1.580 -0.502 2.522) 3.018 9.452 ( 0.170 2.510 0.325) 2.536 9.499 ( -0.248 -3.314 -0.206) 3.330 ======================= Grid point 259 (106/324) ======================= q-point: (-0.14 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -4.736 3.380 -1.571) 6.026 1.577 ( 2.273 11.065 1.809) 11.440 1.636 ( -1.618 -8.771 -0.058) 8.919 1.901 ( -5.533 11.187 -3.532) 12.971 2.014 ( 6.243 2.844 -1.520) 7.027 2.069 ( 0.344 0.419 -0.908) 1.058 2.344 ( 0.438 1.778 -2.690) 3.254 2.444 ( -1.543 4.258 -1.320) 4.717 2.472 ( 0.896 0.154 -2.088) 2.278 2.609 ( -3.093 1.451 0.355) 3.435 2.770 ( 4.329 3.535 -0.968) 5.672 2.811 ( -1.305 2.115 0.840) 2.624 2.875 ( 3.658 3.378 4.132) 6.471 3.036 ( -1.233 -0.756 1.032) 1.777 3.143 ( 1.442 -5.025 -0.933) 5.310 3.279 ( -2.245 5.047 -0.285) 5.531 3.408 ( 0.611 8.586 2.696) 9.020 3.510 ( 1.323 -0.361 -0.680) 1.531 3.734 ( 0.864 0.886 -0.166) 1.248 3.804 ( 0.848 2.754 0.290) 2.896 3.947 ( -1.145 -0.698 2.068) 2.465 4.153 ( -0.668 -2.523 -0.953) 2.778 4.272 ( -0.162 -2.016 0.098) 2.025 4.385 ( 0.239 2.774 -0.239) 2.794 6.969 ( -0.609 7.759 2.009) 8.038 7.554 ( -2.129 8.651 -0.956) 8.960 7.578 ( -0.723 2.245 -2.364) 3.340 7.697 ( -0.557 4.344 0.339) 4.392 8.323 ( 1.237 9.823 -2.063) 10.114 8.396 ( 1.091 8.033 0.672) 8.135 8.626 ( -1.171 7.858 -0.161) 7.946 8.729 ( 1.769 1.934 -0.052) 2.621 8.842 ( 0.069 3.951 -2.147) 4.497 8.966 ( -1.161 2.322 2.715) 3.757 9.414 ( -0.096 1.392 0.193) 1.409 9.562 ( -0.014 -3.402 -0.216) 3.409 ======================= Grid point 260 (107/324) ======================= q-point: (-0.07 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -8.427 -0.729 -3.106) 9.011 1.333 ( 3.731 14.847 3.925) 15.804 1.598 ( 0.264 15.552 -1.503) 15.627 1.812 ( -1.769 -7.402 -1.694) 7.797 1.993 ( 1.791 2.808 -1.826) 3.798 2.088 ( 4.328 -2.096 -1.127) 4.939 2.288 ( 4.639 4.255 -4.856) 7.950 2.368 ( -2.235 2.286 -0.516) 3.239 2.487 ( -0.126 -1.349 -2.788) 3.099 2.550 ( -4.293 3.393 -0.298) 5.480 2.689 ( 2.759 7.121 0.578) 7.659 2.759 ( 1.013 2.533 0.477) 2.769 2.813 ( 1.736 7.112 2.401) 7.705 2.998 ( 3.261 8.142 3.563) 9.467 3.094 ( -3.036 6.479 1.027) 7.229 3.208 ( 1.039 2.646 4.004) 4.911 3.388 ( 2.633 -4.598 0.958) 5.384 3.504 ( 0.540 0.921 -1.281) 1.668 3.692 ( 1.123 3.879 -0.685) 4.096 3.774 ( 0.462 0.518 -1.611) 1.754 3.957 ( -3.335 -0.726 1.762) 3.841 4.176 ( 0.327 1.137 -1.098) 1.614 4.303 ( -0.745 -1.167 0.043) 1.386 4.347 ( 1.331 -0.007 -0.467) 1.411 6.806 ( -1.143 9.602 2.102) 9.896 7.282 ( -2.378 15.812 -2.459) 16.178 7.504 ( -4.077 7.875 -1.710) 9.031 7.607 ( -0.582 3.782 -0.258) 3.835 8.149 ( 0.464 8.400 -1.604) 8.565 8.242 ( 2.082 9.518 1.011) 9.795 8.483 ( -0.148 6.269 -0.068) 6.271 8.716 ( 2.958 2.938 -1.773) 4.531 8.735 ( 0.182 4.432 -0.767) 4.502 8.906 ( -1.006 3.886 3.146) 5.100 9.400 ( -0.544 0.092 0.012) 0.551 9.623 ( 0.101 -3.109 -0.173) 3.115 ======================= Grid point 265 (108/324) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -4.617 -0.000 -0.410) 4.636 1.153 ( 9.478 0.000 9.818) 13.647 1.206 ( 16.199 0.000 7.027) 17.658 1.614 ( -2.380 -0.000 -6.729) 7.137 1.749 ( 0.690 0.000 -1.405) 1.565 1.838 ( -2.020 -0.000 0.464) 2.073 1.887 ( 10.683 0.000 2.171) 10.901 2.108 ( -1.482 -0.000 -0.571) 1.588 2.217 ( 6.731 0.000 7.400) 10.003 2.407 ( 1.518 0.000 -1.985) 2.499 2.426 ( 6.960 0.000 0.204) 6.963 2.635 ( -2.851 -0.000 -1.958) 3.459 2.791 ( -1.140 -0.000 -2.249) 2.522 2.798 ( 1.606 0.000 2.072) 2.622 2.902 ( 3.827 0.000 1.704) 4.190 3.116 ( 6.604 0.000 -0.695) 6.641 3.128 ( -0.722 -0.000 -0.240) 0.760 3.257 ( -4.722 -0.000 -1.046) 4.837 3.525 ( -5.079 -0.000 1.290) 5.240 3.912 ( -1.484 -0.000 -0.079) 1.486 3.936 ( 0.360 0.000 -0.415) 0.550 4.047 ( 2.902 0.000 0.349) 2.923 4.257 ( -3.425 -0.000 0.208) 3.431 4.673 ( 1.146 0.000 -0.043) 1.147 5.386 ( 6.240 0.000 -0.468) 6.257 5.942 ( -7.508 -0.000 -0.097) 7.509 7.017 ( -12.985 -0.000 2.785) 13.280 7.475 ( -0.712 -0.000 0.585) 0.922 7.491 ( -2.336 -0.000 0.520) 2.393 7.916 ( 2.832 0.000 -0.378) 2.857 8.305 ( -4.072 -0.000 -2.343) 4.699 8.631 ( 1.413 0.000 -4.528) 4.744 8.713 ( 6.810 0.000 1.827) 7.051 8.991 ( 4.024 0.000 2.079) 4.529 9.413 ( -1.344 -0.000 -0.508) 1.437 9.753 ( -0.701 -0.000 0.307) 0.765 ======================= Grid point 266 (109/324) ======================= q-point: ( 0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -3.436 -13.041 -2.870) 13.788 1.287 ( 11.403 -1.235 10.150) 15.316 1.307 ( 10.920 -7.072 3.823) 13.560 1.663 ( 0.581 -8.282 -6.146) 10.329 1.793 ( -4.400 1.600 -2.385) 5.255 1.843 ( -0.402 -8.580 -0.475) 8.602 1.960 ( -1.150 -3.612 -3.825) 5.386 2.179 ( 2.516 -7.099 -0.907) 7.586 2.318 ( 8.648 -4.623 10.618) 14.454 2.396 ( -0.394 -0.196 -1.238) 1.314 2.480 ( 10.112 -0.764 0.799) 10.173 2.656 ( -1.704 -3.105 -2.844) 4.542 2.771 ( -0.623 0.836 -1.230) 1.612 2.834 ( 1.679 -2.455 0.210) 2.982 2.878 ( 4.018 2.603 1.963) 5.174 3.154 ( 3.547 -0.410 1.182) 3.762 3.242 ( -2.974 -5.429 0.147) 6.192 3.262 ( -0.643 -8.552 -0.489) 8.590 3.476 ( -5.233 2.251 0.464) 5.716 3.866 ( -1.496 1.727 -0.740) 2.401 3.999 ( -0.042 -0.760 0.395) 0.857 4.032 ( 1.708 -1.229 -0.095) 2.107 4.234 ( -0.547 1.519 -0.250) 1.634 4.633 ( 1.647 3.776 -0.077) 4.121 5.693 ( 1.635 -25.532 -2.116) 25.672 6.015 ( -6.754 -11.260 0.125) 13.131 6.941 ( -10.430 1.390 1.363) 10.610 7.419 ( -0.734 0.817 -0.151) 1.109 7.602 ( -2.464 -7.799 0.809) 8.219 7.957 ( 1.802 -2.877 -0.314) 3.410 8.297 ( -3.019 -1.836 -1.806) 3.968 8.638 ( 0.832 -1.404 -3.757) 4.096 8.738 ( 7.363 1.448 1.691) 7.692 8.997 ( 2.617 1.263 1.595) 3.315 9.394 ( -0.860 1.307 -0.316) 1.596 9.741 ( -0.784 1.003 0.388) 1.331 ======================= Grid point 267 (110/324) ======================= q-point: ( 0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -1.233 2.764 -1.791) 3.517 1.359 ( 8.139 -1.246 5.308) 9.796 1.502 ( 9.970 -5.222 0.380) 11.261 1.771 ( -3.017 -3.700 1.893) 5.136 1.887 ( 1.129 -12.888 -4.129) 13.581 2.012 ( -1.526 -4.059 -2.468) 4.990 2.024 ( -2.796 -9.981 -2.883) 10.759 2.321 ( 0.490 -5.083 0.765) 5.164 2.392 ( -2.437 -4.892 -1.104) 5.576 2.510 ( 9.032 -4.998 2.080) 10.530 2.579 ( 8.151 -4.606 4.500) 10.388 2.670 ( -1.518 -0.162 -2.732) 3.130 2.762 ( 5.063 1.175 -0.141) 5.199 2.865 ( 1.320 -0.390 -1.234) 1.849 2.942 ( 2.368 -7.331 1.271) 7.808 3.170 ( -2.330 -1.464 0.492) 2.796 3.282 ( -5.260 0.406 1.726) 5.551 3.460 ( -0.744 -5.094 -0.838) 5.216 3.479 ( -2.154 -11.639 1.355) 11.914 3.841 ( 0.388 0.556 -0.915) 1.139 3.927 ( 0.678 5.070 0.187) 5.118 4.148 ( 1.863 -6.930 -0.014) 7.176 4.197 ( 0.104 1.949 -0.842) 2.126 4.563 ( 1.751 4.665 -0.035) 4.983 6.196 ( -1.884 -25.319 -2.019) 25.469 6.275 ( -3.681 -20.006 0.409) 20.346 6.897 ( -8.264 -2.131 0.361) 8.542 7.437 ( -0.528 -2.587 -0.566) 2.700 7.745 ( -2.313 -8.948 0.616) 9.263 8.033 ( 1.388 -4.665 -0.413) 4.885 8.346 ( -1.772 -5.107 -0.836) 5.470 8.678 ( 2.164 -2.704 -3.971) 5.269 8.749 ( 5.357 0.966 2.504) 5.991 8.984 ( 1.266 1.288 1.059) 2.094 9.359 ( -0.773 1.745 -0.204) 1.920 9.712 ( -0.716 1.738 0.414) 1.925 ======================= Grid point 268 (111/324) ======================= q-point: ( 0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.550 7.873 -0.221) 7.895 1.444 ( 3.837 -3.865 2.791) 6.120 1.629 ( 5.748 -5.254 -1.802) 7.993 1.878 ( 1.600 -6.484 2.983) 7.314 2.059 ( 2.713 -4.816 -0.911) 5.602 2.083 ( 0.631 -3.944 -1.457) 4.251 2.155 ( -3.030 -6.226 -1.728) 7.137 2.347 ( -1.310 0.149 1.900) 2.313 2.518 ( -0.346 -4.394 -1.980) 4.832 2.619 ( 2.302 -2.290 3.454) 4.741 2.655 ( 7.892 -4.016 -1.140) 8.928 2.709 ( -0.542 -1.864 -0.393) 1.980 2.777 ( 4.084 -0.560 -2.310) 4.726 2.918 ( -0.955 -5.513 -1.198) 5.722 3.106 ( 0.956 -8.218 0.540) 8.291 3.158 ( -4.977 1.970 1.795) 5.646 3.255 ( -3.403 -2.484 -0.112) 4.214 3.597 ( 1.195 -7.691 -0.035) 7.783 3.642 ( -4.435 -6.940 0.968) 8.293 3.793 ( 1.106 5.353 -0.246) 5.472 3.908 ( 4.239 -2.408 0.131) 4.877 4.164 ( -1.246 1.022 -0.667) 1.744 4.284 ( 3.014 -5.905 -0.131) 6.631 4.475 ( 0.988 5.450 0.066) 5.539 6.552 ( -0.368 -16.927 1.058) 16.964 6.680 ( -3.996 -18.793 -1.256) 19.255 6.991 ( -4.815 -13.742 0.198) 14.562 7.473 ( -1.168 -1.225 -0.752) 1.853 7.939 ( -0.465 -12.834 0.551) 12.854 8.149 ( 1.467 -7.076 -0.673) 7.258 8.458 ( -0.865 -7.232 -0.188) 7.286 8.731 ( 2.553 -2.179 -3.456) 4.817 8.768 ( 2.706 -0.382 2.440) 3.663 8.971 ( 0.453 0.628 0.765) 1.088 9.327 ( -0.969 1.072 -0.247) 1.466 9.673 ( -0.454 2.115 0.442) 2.208 ======================= Grid point 269 (112/324) ======================= q-point: ( 0.57 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.334 3.421 1.330) 3.686 1.549 ( 0.910 -5.544 1.492) 5.813 1.753 ( 4.212 -5.393 -0.622) 6.872 2.001 ( 5.290 -2.498 1.729) 6.100 2.107 ( 1.747 0.399 2.689) 3.232 2.150 ( -1.248 -4.421 -2.901) 5.433 2.241 ( -1.956 -4.930 1.127) 5.422 2.336 ( 0.956 0.371 -0.380) 1.094 2.534 ( 1.043 -0.043 -0.665) 1.238 2.662 ( -4.424 0.196 3.081) 5.395 2.743 ( -1.208 -4.115 -2.171) 4.807 2.759 ( 3.756 -2.829 0.609) 4.742 2.803 ( 8.380 0.717 -2.064) 8.660 3.004 ( -4.785 -4.258 -1.948) 6.695 3.101 ( -4.486 0.903 2.516) 5.222 3.259 ( 1.901 -7.098 0.138) 7.349 3.303 ( -2.218 -3.278 -2.113) 4.487 3.699 ( 1.310 2.856 -0.215) 3.149 3.713 ( -2.550 -2.933 0.109) 3.888 3.745 ( -0.317 -6.099 -0.495) 6.128 3.985 ( 4.698 -2.179 0.775) 5.236 4.143 ( -1.524 0.601 0.099) 1.641 4.353 ( 2.579 4.058 0.335) 4.820 4.406 ( -0.234 -1.918 -0.059) 1.934 6.830 ( 2.782 -10.984 1.087) 11.383 6.923 ( -6.964 -14.385 0.147) 15.983 7.330 ( -0.181 -19.599 -0.085) 19.600 7.471 ( -1.254 -0.168 -0.359) 1.315 8.205 ( 1.026 -14.595 0.368) 14.636 8.307 ( 1.085 -9.248 -0.820) 9.348 8.591 ( 0.148 -6.979 -0.096) 6.981 8.761 ( 0.453 -0.794 -2.198) 2.381 8.797 ( 1.327 -1.023 2.130) 2.710 8.966 ( 0.452 0.573 0.410) 0.837 9.314 ( -1.089 -0.474 -0.394) 1.252 9.633 ( -0.075 2.150 0.520) 2.213 ======================= Grid point 270 (113/324) ======================= q-point: (-0.36 -0.71 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.755 -3.882 1.801) 4.345 1.654 ( 0.372 -4.366 0.991) 4.492 1.847 ( 5.315 -1.169 -0.584) 5.474 1.968 ( 0.232 4.835 2.077) 5.267 2.127 ( -1.421 -1.424 0.870) 2.191 2.243 ( 0.788 -5.085 -0.744) 5.199 2.320 ( -0.783 -3.206 1.893) 3.805 2.368 ( 4.929 -3.193 -1.840) 6.155 2.542 ( -0.728 -0.516 1.220) 1.511 2.623 ( -4.028 1.370 0.733) 4.317 2.777 ( -0.272 -0.339 -0.706) 0.829 2.806 ( 0.848 -0.900 0.982) 1.579 2.846 ( 3.122 -2.610 -0.360) 4.085 3.027 ( -2.628 -1.882 -0.683) 3.304 3.079 ( -1.451 1.501 1.495) 2.568 3.305 ( 0.193 -0.004 -3.308) 3.314 3.418 ( 0.046 -7.631 -0.109) 7.631 3.637 ( 1.009 3.308 -1.490) 3.765 3.759 ( -2.299 -2.145 0.323) 3.161 3.848 ( -0.248 -4.795 -1.282) 4.969 4.021 ( 2.455 0.304 0.754) 2.586 4.124 ( -1.003 0.822 0.875) 1.565 4.265 ( 0.513 4.531 0.787) 4.627 4.450 ( 0.442 -1.345 0.070) 1.418 7.020 ( 0.350 -9.579 0.294) 9.590 7.147 ( -2.405 -9.764 1.441) 10.159 7.465 ( 0.227 -2.172 -0.070) 2.185 7.665 ( 0.041 -13.805 0.192) 13.806 8.462 ( 1.994 -11.648 -0.425) 11.825 8.493 ( 0.300 -9.855 -0.489) 9.871 8.706 ( 1.219 -4.639 -0.513) 4.824 8.762 ( -1.616 -0.284 -1.317) 2.104 8.825 ( 0.274 -1.089 2.400) 2.650 8.947 ( 0.083 1.754 0.317) 1.785 9.333 ( -0.654 -2.036 -0.533) 2.204 9.595 ( 0.128 2.088 0.626) 2.184 ======================= Grid point 271 (114/324) ======================= q-point: (-0.29 -0.71 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.574 -9.207 0.991) 9.278 1.641 ( -0.118 7.558 0.781) 7.599 1.859 ( 3.952 -1.329 0.644) 4.219 1.945 ( -1.748 -0.878 -0.040) 1.957 2.129 ( -0.458 0.821 -0.392) 1.019 2.307 ( 1.173 -1.696 -0.200) 2.072 2.358 ( 1.095 0.048 -0.091) 1.099 2.458 ( 1.546 -2.796 0.198) 3.201 2.563 ( -2.247 -1.704 4.651) 5.439 2.587 ( 0.097 0.160 -1.606) 1.617 2.778 ( 1.067 -1.542 -0.332) 1.905 2.840 ( -3.539 -2.439 -0.302) 4.309 2.895 ( -0.140 -1.720 0.094) 1.728 3.004 ( -0.360 5.053 0.433) 5.084 3.068 ( 2.135 -1.084 1.158) 2.660 3.308 ( -0.021 -1.541 -2.291) 2.761 3.530 ( -2.694 -2.241 -1.180) 3.697 3.583 ( 3.804 0.591 -2.526) 4.605 3.764 ( -1.617 0.679 1.236) 2.146 3.900 ( -1.154 -0.845 -2.019) 2.474 4.014 ( 0.334 0.827 1.456) 1.707 4.107 ( -0.175 0.802 1.181) 1.438 4.211 ( 0.220 1.525 0.773) 1.724 4.460 ( 0.055 0.203 0.133) 0.249 7.200 ( -1.276 -9.541 0.035) 9.626 7.226 ( 0.910 0.068 1.123) 1.447 7.563 ( 0.187 -7.039 1.005) 7.113 7.844 ( 0.154 -5.251 -0.158) 5.255 8.608 ( 0.335 -1.833 -0.040) 1.864 8.668 ( 1.773 -8.890 -1.305) 9.158 8.739 ( -0.397 0.797 -2.049) 2.235 8.787 ( 0.427 -2.405 -0.307) 2.461 8.860 ( -0.978 -2.243 2.589) 3.562 8.908 ( -0.579 1.680 0.863) 1.976 9.377 ( 0.034 -2.866 -0.520) 2.913 9.556 ( -0.060 2.365 0.674) 2.460 ======================= Grid point 272 (115/324) ======================= q-point: (-0.21 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.110 -11.649 -0.003) 11.650 1.451 ( -2.359 10.706 0.731) 10.987 1.908 ( -0.671 0.634 -0.188) 0.942 1.942 ( 4.551 0.125 -0.937) 4.648 2.097 ( -0.209 1.833 0.416) 1.891 2.299 ( 0.522 4.874 -1.914) 5.263 2.347 ( 0.143 -0.752 0.859) 1.150 2.465 ( -2.204 0.501 -0.712) 2.370 2.550 ( 0.077 1.053 -0.704) 1.269 2.669 ( -0.058 -5.417 3.412) 6.403 2.811 ( -4.456 3.694 1.405) 5.956 2.846 ( 1.422 -0.621 -3.056) 3.427 2.905 ( -0.124 -3.207 -0.972) 3.353 2.954 ( 3.864 -0.091 1.135) 4.028 3.071 ( 1.411 2.605 1.660) 3.396 3.358 ( -0.762 -3.381 -0.222) 3.473 3.462 ( -2.679 3.218 -4.401) 6.074 3.658 ( 3.879 -3.018 0.076) 4.915 3.726 ( 0.022 3.337 1.905) 3.843 3.869 ( -2.674 1.581 -1.926) 3.655 4.002 ( 0.522 1.567 2.473) 2.974 4.101 ( -0.341 -0.051 0.756) 0.831 4.208 ( 0.053 -0.802 0.262) 0.846 4.449 ( -0.123 0.905 0.042) 0.915 7.185 ( 0.443 3.783 1.304) 4.025 7.369 ( -0.782 -8.353 -0.424) 8.401 7.677 ( -0.950 -4.287 0.876) 4.478 7.870 ( 0.568 2.147 -0.428) 2.261 8.583 ( 1.294 3.757 -0.206) 3.979 8.670 ( 0.319 5.389 -1.453) 5.591 8.795 ( -1.854 -1.334 -0.814) 2.424 8.826 ( 1.616 -3.004 -0.868) 3.519 8.835 ( 0.298 2.576 -0.191) 2.600 8.945 ( -1.261 -3.217 2.729) 4.403 9.435 ( 0.450 -3.196 -0.416) 3.255 9.507 ( -0.437 2.837 0.606) 2.933 ======================= Grid point 273 (116/324) ======================= q-point: (-0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -6.174 8.118 -0.211) 10.201 1.411 ( 1.418 -11.528 -0.630) 11.632 1.804 ( 1.427 8.976 0.268) 9.092 1.972 ( 2.139 0.606 -1.248) 2.549 2.078 ( 0.593 0.493 -0.039) 0.772 2.162 ( 0.894 8.600 -2.449) 8.986 2.356 ( -0.101 0.241 -0.442) 0.514 2.449 ( -0.718 -0.218 -2.701) 2.804 2.521 ( -0.433 2.145 -0.804) 2.331 2.670 ( -1.789 5.992 0.819) 6.307 2.779 ( -1.568 -3.866 3.566) 5.488 2.830 ( 1.409 1.578 -2.132) 3.003 2.976 ( -4.185 -2.650 0.187) 4.957 2.993 ( 4.589 5.207 2.567) 7.400 3.050 ( 5.023 -6.029 -0.621) 7.872 3.342 ( -1.778 3.389 -3.415) 5.129 3.447 ( -2.906 -2.065 0.281) 3.576 3.621 ( 3.398 7.622 1.826) 8.542 3.732 ( 2.002 -1.875 -0.222) 2.752 3.836 ( -2.022 0.562 0.304) 2.120 3.969 ( 0.739 2.496 2.437) 3.566 4.110 ( -0.734 -1.273 -0.300) 1.499 4.234 ( -0.079 -1.830 0.103) 1.834 4.426 ( 0.109 1.566 -0.109) 1.573 7.099 ( 0.184 5.979 1.709) 6.221 7.494 ( -1.722 -5.719 -1.121) 6.077 7.683 ( -5.219 3.199 -0.132) 6.123 7.797 ( 2.948 5.439 -0.275) 6.192 8.494 ( 2.596 7.102 -1.067) 7.637 8.544 ( 1.236 7.501 -0.606) 7.626 8.739 ( -2.552 4.865 -0.243) 5.499 8.783 ( 1.807 2.622 0.153) 3.188 8.877 ( 0.550 -0.190 -2.117) 2.196 8.979 ( -1.766 -0.530 2.641) 3.221 9.452 ( -0.463 2.577 0.401) 2.648 9.499 ( 0.388 -3.342 -0.281) 3.376 ======================= Grid point 274 (117/324) ======================= q-point: (-0.07 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -7.757 4.369 -1.844) 9.092 1.611 ( 0.883 7.657 1.888) 7.936 1.634 ( 3.246 -6.083 -1.392) 7.034 1.849 ( -2.234 11.518 -2.575) 12.011 2.050 ( 1.123 2.643 -1.323) 3.162 2.095 ( 6.405 0.355 -0.935) 6.482 2.340 ( 0.898 1.105 -2.953) 3.279 2.433 ( 0.221 3.167 -2.336) 3.942 2.473 ( 1.083 1.173 -1.030) 1.900 2.577 ( -3.269 2.802 0.502) 4.335 2.795 ( -0.209 1.442 -0.283) 1.484 2.810 ( 1.670 3.593 0.820) 4.046 2.897 ( -3.073 2.495 2.994) 4.963 3.033 ( 1.626 -2.105 1.412) 3.012 3.185 ( 5.213 -3.354 -0.685) 6.236 3.255 ( -1.708 4.163 0.060) 4.500 3.416 ( -0.605 4.757 1.752) 5.105 3.522 ( 1.362 2.670 -0.416) 3.026 3.751 ( 2.531 1.248 -0.178) 2.828 3.812 ( 0.505 2.021 0.649) 2.182 3.941 ( -1.750 0.673 2.089) 2.807 4.142 ( -0.585 -2.578 -1.013) 2.831 4.271 ( -0.110 -2.001 -0.019) 2.004 4.390 ( 0.918 2.501 -0.249) 2.675 6.970 ( -0.649 8.063 2.008) 8.335 7.512 ( -5.555 10.913 -0.943) 12.282 7.554 ( -2.010 -1.511 -2.086) 3.267 7.693 ( -0.459 7.044 -0.000) 7.059 8.333 ( 2.390 10.243 -2.031) 10.712 8.420 ( 3.169 7.764 0.612) 8.408 8.608 ( -1.841 7.240 -0.265) 7.475 8.759 ( 3.935 1.361 0.024) 4.164 8.830 ( -0.713 4.412 -2.019) 4.905 8.960 ( -2.071 1.960 2.591) 3.853 9.411 ( -0.716 1.460 0.187) 1.637 9.563 ( 0.408 -3.330 -0.201) 3.361 ======================= Grid point 280 (118/324) ======================= q-point: ( 0.36 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -3.451 -0.000 0.024) 3.451 1.242 ( 3.277 0.000 0.741) 3.359 1.374 ( 12.796 0.000 4.465) 13.553 1.590 ( 1.026 0.000 0.150) 1.037 1.743 ( 0.007 0.000 -3.238) 3.238 1.774 ( -7.977 -0.000 -1.835) 8.186 1.954 ( 4.430 0.000 -7.797) 8.967 2.104 ( 0.006 0.000 2.331) 2.331 2.343 ( 6.569 0.000 10.017) 11.979 2.401 ( 4.624 0.000 -0.879) 4.707 2.524 ( 8.379 0.000 1.404) 8.496 2.604 ( -1.546 -0.000 -1.794) 2.368 2.750 ( -3.738 -0.000 -2.538) 4.518 2.810 ( 0.133 0.000 -0.420) 0.440 2.953 ( 3.742 0.000 3.238) 4.948 3.122 ( -0.522 -0.000 -0.057) 0.525 3.177 ( -0.262 -0.000 0.255) 0.365 3.230 ( 4.516 0.000 0.212) 4.521 3.480 ( -4.517 -0.000 0.936) 4.613 3.898 ( -1.171 -0.000 -0.144) 1.180 3.915 ( -3.977 -0.000 -0.574) 4.018 4.050 ( -2.156 -0.000 -0.044) 2.156 4.266 ( 4.667 0.000 -0.108) 4.668 4.679 ( 0.183 0.000 -0.106) 0.212 5.448 ( 6.619 0.000 -0.593) 6.646 5.865 ( -7.689 -0.000 -0.174) 7.691 6.909 ( -10.011 -0.000 0.486) 10.023 7.469 ( -2.066 -0.000 -0.138) 2.071 7.471 ( -0.481 -0.000 0.607) 0.775 7.939 ( 2.135 0.000 -0.420) 2.175 8.262 ( -2.619 -0.000 -1.723) 3.135 8.610 ( -1.970 -0.000 -2.664) 3.313 8.800 ( 9.123 0.000 -0.366) 9.130 9.021 ( 0.426 0.000 1.485) 1.545 9.405 ( 0.036 0.000 -0.097) 0.104 9.747 ( -0.882 -0.000 0.575) 1.052 ======================= Grid point 281 (119/324) ======================= q-point: ( 0.43 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -1.657 -13.312 -2.064) 13.572 1.365 ( 0.095 -9.892 -3.579) 10.520 1.426 ( 9.217 -1.106 6.971) 11.609 1.676 ( 3.566 -6.043 1.867) 7.261 1.735 ( -3.752 -0.749 -3.964) 5.510 1.817 ( -2.111 -8.141 -4.503) 9.539 1.933 ( -0.521 -1.335 -4.290) 4.523 2.194 ( 1.414 -6.894 0.354) 7.046 2.361 ( -1.520 0.345 1.919) 2.472 2.481 ( 11.022 -3.234 4.266) 12.253 2.568 ( 3.734 -1.537 2.427) 4.711 2.632 ( 1.257 -2.109 -2.366) 3.409 2.747 ( -2.293 -2.797 0.134) 3.619 2.844 ( 0.732 -2.481 -1.720) 3.106 2.934 ( 4.293 2.677 2.244) 5.535 3.149 ( -3.787 0.509 -0.575) 3.864 3.224 ( -1.698 -7.166 1.295) 7.477 3.286 ( 3.765 -4.176 1.258) 5.762 3.433 ( -3.012 1.860 0.438) 3.567 3.849 ( -1.073 0.986 -0.637) 1.591 3.999 ( -0.248 -2.669 0.254) 2.693 4.012 ( -4.266 -1.546 -0.361) 4.552 4.260 ( 4.642 2.909 -0.610) 5.512 4.645 ( 0.816 3.190 -0.037) 3.293 5.712 ( 3.350 -22.311 -1.265) 22.596 5.951 ( -6.054 -12.433 0.134) 13.830 6.852 ( -7.742 0.762 -0.484) 7.794 7.411 ( -0.587 0.637 -0.255) 0.903 7.583 ( -1.687 -7.422 0.413) 7.623 7.972 ( 1.396 -2.539 -0.425) 2.928 8.268 ( -1.451 -2.223 -1.049) 2.854 8.616 ( -1.868 -2.281 -2.993) 4.201 8.824 ( 8.631 1.842 0.198) 8.828 9.009 ( -1.140 1.095 0.895) 1.816 9.391 ( 0.326 1.543 0.110) 1.581 9.735 ( -0.791 0.983 0.654) 1.421 ======================= Grid point 282 (120/324) ======================= q-point: ( 0.50 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -0.978 2.020 -2.199) 3.142 1.424 ( 1.111 -1.163 0.636) 1.729 1.572 ( 4.800 -3.702 0.305) 6.069 1.769 ( 0.636 -6.306 1.947) 6.630 1.886 ( 1.668 -12.035 -2.983) 12.511 1.973 ( -2.631 -9.761 -1.035) 10.162 2.014 ( 1.072 -6.372 -1.766) 6.698 2.337 ( 1.300 -3.525 2.978) 4.794 2.364 ( -1.677 -5.581 -2.725) 6.433 2.591 ( 4.971 -3.338 1.644) 6.209 2.630 ( -2.866 -3.321 -2.805) 5.207 2.668 ( 5.592 -1.201 3.418) 6.663 2.798 ( 1.784 -0.245 -0.006) 1.800 2.872 ( 1.748 -0.666 -2.467) 3.096 2.966 ( 1.126 -5.466 0.969) 5.665 3.144 ( -2.181 -1.771 -1.038) 2.995 3.232 ( -5.992 2.445 1.464) 6.635 3.451 ( -1.016 -9.274 0.754) 9.360 3.477 ( 0.524 -7.336 1.607) 7.528 3.853 ( 2.540 -0.906 -0.234) 2.707 3.921 ( -1.701 4.304 -0.085) 4.629 4.132 ( -2.260 -6.084 -0.038) 6.490 4.229 ( 4.025 1.061 -1.057) 4.295 4.577 ( 1.010 4.621 0.090) 4.731 6.182 ( 0.166 -23.279 -0.940) 23.298 6.247 ( -2.207 -22.195 0.448) 22.309 6.828 ( -5.275 -2.619 -0.682) 5.929 7.431 ( -0.272 -2.354 -0.581) 2.440 7.729 ( -1.230 -9.306 0.521) 9.401 8.044 ( 1.098 -4.723 -0.538) 4.878 8.332 ( -0.602 -5.331 -0.136) 5.367 8.658 ( -1.768 -3.625 -3.280) 5.198 8.828 ( 7.493 2.041 1.010) 7.831 8.981 ( -2.161 0.900 0.434) 2.381 9.356 ( 0.057 2.137 0.051) 2.138 9.707 ( -0.526 1.679 0.625) 1.867 ======================= Grid point 283 (121/324) ======================= q-point: (-0.43 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.289 6.930 0.446) 6.950 1.467 ( -0.839 -3.599 0.680) 3.757 1.672 ( 4.430 -5.095 -0.655) 6.783 1.903 ( 0.926 -7.219 1.412) 7.414 2.053 ( -1.842 -5.966 -1.322) 6.383 2.116 ( 3.132 -3.612 2.335) 5.320 2.136 ( 1.192 -6.311 0.041) 6.423 2.345 ( -0.199 0.313 0.866) 0.942 2.507 ( -0.312 -5.414 -0.999) 5.514 2.641 ( 0.138 -1.390 0.967) 1.699 2.677 ( -0.837 -1.790 -1.059) 2.242 2.722 ( 1.495 -2.424 0.229) 2.857 2.816 ( 3.792 -2.625 -1.392) 4.818 2.899 ( -0.350 -2.597 -3.015) 3.995 3.106 ( -1.104 -8.272 0.011) 8.345 3.120 ( -3.632 3.193 1.563) 5.082 3.223 ( -2.622 -4.395 -1.457) 5.321 3.602 ( -1.344 -6.457 0.572) 6.620 3.619 ( 0.288 -7.176 0.885) 7.236 3.802 ( 0.553 5.609 -0.316) 5.645 3.942 ( 2.243 -4.277 1.074) 4.947 4.152 ( -0.444 0.966 -0.622) 1.231 4.308 ( 1.498 -5.742 -0.314) 5.942 4.483 ( 0.510 5.831 0.282) 5.860 6.554 ( -0.234 -18.881 0.983) 18.908 6.648 ( -1.062 -15.717 -0.778) 15.772 6.960 ( -1.518 -15.939 0.184) 16.012 7.463 ( -0.199 -0.943 -0.704) 1.194 7.939 ( -0.026 -13.471 0.770) 13.493 8.158 ( 0.919 -7.070 -0.760) 7.170 8.453 ( 0.021 -7.423 0.375) 7.432 8.707 ( -2.273 -3.041 -3.077) 4.887 8.830 ( 5.017 1.352 1.711) 5.470 8.965 ( -1.655 -0.164 0.065) 1.664 9.320 ( -0.304 1.445 -0.184) 1.488 9.672 ( -0.168 2.009 0.595) 2.102 ======================= Grid point 284 (122/324) ======================= q-point: (-0.36 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 2.074 3.208 2.515) 4.573 1.556 ( -0.331 -5.915 1.151) 6.035 1.791 ( 3.541 -5.137 0.163) 6.241 2.040 ( -0.962 -5.973 1.566) 6.250 2.106 ( -2.076 3.970 1.771) 4.817 2.138 ( 0.187 -4.048 -1.173) 4.219 2.253 ( 2.855 -4.524 3.157) 6.212 2.351 ( 2.737 -1.061 -1.242) 3.188 2.544 ( 1.465 -0.153 -0.338) 1.511 2.628 ( -4.398 1.846 2.284) 5.289 2.715 ( -2.304 -3.781 -3.102) 5.406 2.776 ( 0.288 -2.687 0.298) 2.719 2.887 ( 6.849 0.632 0.192) 6.881 2.949 ( -3.184 -4.000 -2.494) 5.688 3.074 ( -2.451 -0.668 1.840) 3.137 3.250 ( -3.865 -6.896 -1.789) 8.105 3.289 ( 1.627 -4.267 -1.848) 4.927 3.690 ( -0.880 -4.114 0.098) 4.208 3.707 ( -0.199 4.364 -0.442) 4.391 3.745 ( 0.335 -5.781 -0.572) 5.819 4.019 ( 1.061 -2.176 1.352) 2.773 4.133 ( -0.115 0.750 -0.041) 0.760 4.372 ( 0.286 6.073 0.654) 6.115 4.404 ( 0.318 -3.819 -0.068) 3.833 6.842 ( -3.141 -9.662 -0.422) 10.169 6.894 ( 2.844 -15.923 1.764) 16.271 7.335 ( 0.981 -20.250 0.335) 20.277 7.465 ( 0.181 0.123 -0.365) 0.426 8.215 ( 0.566 -15.011 0.783) 15.042 8.311 ( 0.480 -9.072 -0.963) 9.136 8.596 ( 0.725 -7.230 0.433) 7.279 8.731 ( -3.017 -1.466 -2.377) 4.112 8.835 ( 2.499 0.466 2.097) 3.295 8.963 ( -0.826 0.086 -0.101) 0.837 9.307 ( -0.139 -0.343 -0.459) 0.590 9.635 ( 0.038 2.064 0.628) 2.157 ======================= Grid point 285 (123/324) ======================= q-point: (-0.29 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 2.426 -3.155 2.437) 4.667 1.667 ( 1.316 -4.172 1.312) 4.567 1.886 ( 2.928 -3.047 -0.474) 4.253 1.961 ( -3.930 7.667 3.044) 9.137 2.104 ( -3.282 -2.522 0.210) 4.145 2.252 ( 1.209 -5.742 -0.927) 5.941 2.336 ( 2.272 -2.326 2.533) 4.121 2.415 ( 5.559 -3.343 -1.583) 6.678 2.535 ( -2.609 0.548 2.935) 3.965 2.597 ( -1.205 0.284 -0.612) 1.381 2.753 ( -2.478 -2.842 -1.985) 4.261 2.808 ( -1.640 0.868 1.591) 2.445 2.869 ( 0.462 0.049 0.384) 0.603 3.013 ( 0.523 -3.541 -0.240) 3.587 3.086 ( 1.852 1.037 0.788) 2.264 3.280 ( -1.793 -1.300 -4.063) 4.628 3.425 ( 1.157 -7.063 -0.075) 7.158 3.633 ( -0.588 3.201 -1.617) 3.635 3.742 ( -1.205 -1.886 -0.116) 2.241 3.838 ( -0.650 -4.378 -1.399) 4.642 4.034 ( -0.851 0.554 0.977) 1.409 4.120 ( -0.023 0.702 0.757) 1.032 4.275 ( 0.642 4.513 1.059) 4.680 4.451 ( -0.224 -1.336 0.111) 1.359 7.010 ( -2.124 -9.893 0.078) 10.118 7.160 ( 3.391 -9.362 1.735) 10.107 7.471 ( 0.968 -2.199 0.137) 2.406 7.669 ( 0.509 -13.692 0.287) 13.705 8.476 ( 0.928 -11.614 0.324) 11.655 8.491 ( -0.316 -10.062 -0.967) 10.114 8.720 ( 1.808 -5.051 -0.009) 5.365 8.727 ( -3.573 -0.568 -1.458) 3.900 8.845 ( 1.268 -0.086 2.108) 2.462 8.942 ( -1.183 1.605 0.136) 1.998 9.331 ( 0.606 -2.089 -0.598) 2.256 9.597 ( -0.153 2.110 0.689) 2.225 ======================= Grid point 286 (124/324) ======================= q-point: (-0.21 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 1.952 -8.308 1.147) 8.611 1.630 ( -2.923 8.747 1.023) 9.280 1.890 ( 1.394 -1.423 2.047) 2.856 1.944 ( 1.627 -1.713 -1.143) 2.625 2.117 ( -1.632 -0.168 -0.417) 1.693 2.319 ( 1.233 -1.394 -0.612) 1.959 2.370 ( 1.465 0.835 0.704) 1.827 2.462 ( -0.756 -0.156 0.203) 0.799 2.561 ( -1.477 -2.264 3.423) 4.362 2.588 ( 0.807 -0.860 -0.333) 1.226 2.780 ( -2.425 -1.153 0.705) 2.776 2.803 ( -0.870 -3.229 -1.724) 3.763 2.886 ( -1.418 -0.701 -0.183) 1.592 3.023 ( 2.973 3.645 0.167) 4.707 3.100 ( 3.021 -1.438 2.076) 3.938 3.296 ( -0.270 -1.952 -2.583) 3.249 3.492 ( -3.609 1.033 -1.633) 4.094 3.610 ( 3.014 -2.288 -2.400) 4.481 3.755 ( -1.162 -0.285 1.247) 1.728 3.876 ( -1.886 -0.173 -1.932) 2.705 4.018 ( -0.580 0.346 1.248) 1.419 4.108 ( -0.569 0.677 1.229) 1.514 4.221 ( 1.003 1.926 0.823) 2.323 4.459 ( -0.446 0.177 0.151) 0.503 7.177 ( -2.693 -8.285 0.421) 8.721 7.258 ( 4.045 -0.613 0.734) 4.156 7.570 ( 0.531 -6.700 1.134) 6.816 7.845 ( 0.249 -5.131 -0.133) 5.138 8.617 ( 1.354 -2.038 0.021) 2.447 8.666 ( -1.069 -8.726 -1.186) 8.871 8.719 ( -2.232 -0.348 -1.485) 2.703 8.793 ( 1.492 -1.961 -0.880) 2.616 8.866 ( -0.006 -0.762 2.302) 2.424 8.905 ( -0.665 0.657 1.012) 1.378 9.381 ( 1.103 -2.833 -0.508) 3.083 9.555 ( -0.657 2.452 0.687) 2.630 ======================= Grid point 287 (125/324) ======================= q-point: (-0.14 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.870 -10.241 0.040) 10.278 1.417 ( -4.736 10.379 0.890) 11.443 1.913 ( 1.770 1.821 -0.459) 2.581 1.981 ( 3.796 -1.023 -1.249) 4.125 2.096 ( -0.414 1.283 0.383) 1.401 2.295 ( 0.027 5.250 -1.521) 5.466 2.356 ( 0.864 -0.133 0.982) 1.314 2.441 ( -2.299 0.779 -0.270) 2.442 2.552 ( 1.194 1.499 -0.863) 2.102 2.668 ( -2.279 -5.348 2.491) 6.325 2.765 ( -5.269 1.902 1.287) 5.748 2.849 ( 0.964 0.958 -2.297) 2.669 2.913 ( 2.539 -4.323 -0.734) 5.067 2.995 ( 2.986 -0.194 0.097) 2.993 3.106 ( 3.794 3.409 2.599) 5.725 3.343 ( -1.822 -3.099 -0.218) 3.602 3.416 ( -2.931 2.585 -3.648) 5.346 3.683 ( 1.457 -3.677 -1.401) 4.196 3.744 ( 1.791 2.890 2.284) 4.096 3.837 ( -2.112 1.336 -1.288) 2.812 4.014 ( 0.061 0.991 1.929) 2.170 4.098 ( -0.836 0.145 0.812) 1.174 4.212 ( 0.546 -0.347 0.231) 0.687 4.447 ( -0.267 0.794 0.039) 0.839 7.200 ( 1.300 3.745 1.340) 4.185 7.355 ( -1.710 -7.442 -0.451) 7.649 7.668 ( -1.365 -2.679 0.825) 3.118 7.876 ( 0.913 1.464 -0.376) 1.766 8.602 ( 2.634 3.370 -0.157) 4.280 8.671 ( 1.017 4.870 -1.533) 5.206 8.765 ( -3.204 -1.604 -0.958) 3.708 8.820 ( -1.559 -0.337 0.237) 1.612 8.849 ( 1.692 -0.294 -1.103) 2.041 8.949 ( -0.176 -2.484 2.666) 3.648 9.441 ( 1.127 -3.072 -0.339) 3.290 9.502 ( -1.043 2.853 0.555) 3.088 ======================= Grid point 288 (126/324) ======================= q-point: (-0.07 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -7.486 8.501 -0.325) 11.331 1.427 ( 2.342 -10.618 -0.319) 10.878 1.827 ( 2.634 7.996 -0.608) 8.441 1.978 ( 0.525 3.630 -1.643) 4.019 2.081 ( 0.147 0.824 -0.201) 0.861 2.181 ( 4.220 5.557 -1.220) 7.083 2.356 ( 0.460 0.772 -0.634) 1.100 2.427 ( -1.751 -0.560 -2.377) 3.005 2.528 ( 2.123 1.863 0.096) 2.826 2.655 ( -1.570 5.715 0.530) 5.950 2.764 ( -3.538 -3.931 2.498) 5.849 2.834 ( 0.658 0.176 -1.810) 1.934 2.938 ( -2.656 2.328 0.897) 3.644 3.048 ( 3.745 1.255 1.640) 4.277 3.094 ( 3.266 -4.877 -0.643) 5.905 3.330 ( 2.081 2.855 -1.956) 4.038 3.409 ( -4.582 -2.232 0.029) 5.097 3.654 ( 2.148 7.306 0.241) 7.619 3.748 ( 1.200 -2.658 -0.322) 2.935 3.829 ( 0.251 -0.021 1.611) 1.631 3.982 ( 0.075 2.737 1.948) 3.361 4.102 ( -0.639 -1.084 -0.216) 1.277 4.234 ( -0.079 -1.672 -0.001) 1.673 4.428 ( 0.375 1.290 -0.099) 1.347 7.110 ( 0.698 6.543 1.669) 6.789 7.463 ( -3.844 -5.482 -1.020) 6.773 7.633 ( -4.556 5.053 -0.089) 6.804 7.820 ( 2.016 5.143 -0.307) 5.532 8.520 ( 3.399 7.882 -1.547) 8.722 8.564 ( 3.287 6.173 -0.157) 6.996 8.710 ( -2.965 4.512 -0.351) 5.411 8.803 ( 1.883 1.368 0.278) 2.344 8.867 ( -0.618 0.256 -2.147) 2.249 8.972 ( -1.876 0.046 2.683) 3.274 9.446 ( -1.080 2.525 0.318) 2.765 9.505 ( 0.942 -3.197 -0.188) 3.338 ======================= Grid point 295 (127/324) ======================= q-point: ( 0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -1.473 -0.000 0.594) 1.588 1.221 ( -3.860 -0.000 -7.624) 8.546 1.476 ( 4.210 0.000 -1.348) 4.421 1.622 ( 1.789 0.000 2.566) 3.128 1.687 ( -6.113 -0.000 -1.028) 6.199 1.741 ( 2.695 0.000 -0.231) 2.705 1.944 ( 2.249 0.000 -10.578) 10.815 2.125 ( 1.237 0.000 4.503) 4.670 2.366 ( -0.605 -0.000 1.259) 1.397 2.511 ( 7.309 0.000 2.485) 7.720 2.543 ( -3.208 -0.000 0.720) 3.288 2.636 ( 6.527 0.000 0.909) 6.591 2.724 ( 0.130 0.000 3.270) 3.272 2.797 ( -1.515 -0.000 -2.846) 3.224 2.994 ( 2.189 0.000 2.169) 3.082 3.118 ( -0.195 -0.000 0.069) 0.207 3.132 ( -5.676 -0.000 -0.189) 5.679 3.302 ( 4.724 0.000 0.898) 4.809 3.457 ( -0.129 -0.000 1.396) 1.402 3.864 ( -4.616 -0.000 -0.722) 4.672 3.889 ( -0.622 -0.000 -0.170) 0.645 4.026 ( -1.946 -0.000 -0.201) 1.956 4.318 ( 4.736 0.000 -0.373) 4.750 4.677 ( -0.299 -0.000 -0.066) 0.306 5.506 ( 5.211 0.000 -0.903) 5.288 5.795 ( -5.807 -0.000 -0.053) 5.807 6.824 ( -6.532 -0.000 -1.517) 6.706 7.450 ( -1.381 -0.000 -0.644) 1.523 7.470 ( -0.305 -0.000 0.635) 0.704 7.954 ( 1.161 0.000 -0.476) 1.255 8.242 ( -0.463 -0.000 -0.926) 1.035 8.576 ( -2.331 -0.000 -3.245) 3.996 8.884 ( 7.707 0.000 -0.169) 7.709 9.013 ( -2.435 -0.000 0.425) 2.472 9.411 ( 0.678 0.000 0.466) 0.823 9.742 ( -0.640 -0.000 0.862) 1.074 ======================= Grid point 296 (128/324) ======================= q-point: (-0.50 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 0.411 -12.869 -1.443) 12.956 1.299 ( -7.780 -10.327 -6.780) 14.599 1.497 ( 0.018 -5.443 -0.466) 5.463 1.665 ( -1.627 -0.478 -1.705) 2.405 1.744 ( 0.051 -10.126 0.292) 10.130 1.807 ( 6.575 -2.731 -1.292) 7.236 1.919 ( 1.001 -1.896 -3.710) 4.285 2.213 ( 1.333 -6.317 2.158) 6.807 2.356 ( -0.291 0.707 0.152) 0.780 2.530 ( -7.321 -2.949 -0.211) 7.895 2.579 ( 4.339 -1.752 1.269) 4.848 2.693 ( 6.821 -1.617 1.526) 7.175 2.739 ( -0.115 -2.169 3.055) 3.749 2.836 ( -0.516 -3.377 -2.418) 4.185 2.970 ( 1.059 2.384 1.240) 2.888 3.102 ( -4.077 -0.525 -1.129) 4.263 3.216 ( -0.815 -6.174 1.343) 6.371 3.306 ( -0.793 -1.028 0.447) 1.373 3.434 ( 1.889 1.100 1.955) 2.933 3.844 ( 0.385 -0.378 -0.386) 0.663 3.971 ( -2.467 -3.850 -0.527) 4.603 3.998 ( -0.235 -0.989 0.116) 1.023 4.296 ( 2.402 3.484 -0.781) 4.304 4.650 ( 0.261 2.682 0.033) 2.695 5.741 ( 2.836 -20.910 -0.956) 21.123 5.904 ( -3.061 -13.286 0.291) 13.637 6.787 ( -4.214 0.254 -1.997) 4.670 7.406 ( -0.232 0.447 -0.406) 0.647 7.572 ( -0.862 -7.239 0.237) 7.294 7.980 ( 0.610 -2.469 -0.499) 2.591 8.261 ( 0.513 -2.290 -0.269) 2.362 8.582 ( -2.117 -2.488 -3.701) 4.936 8.900 ( 5.582 1.678 0.456) 5.846 8.989 ( -2.338 1.097 -0.083) 2.584 9.397 ( 0.298 1.771 0.508) 1.866 9.732 ( -0.328 0.985 0.884) 1.363 ======================= Grid point 297 (129/324) ======================= q-point: (-0.43 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.790 1.651 -2.079) 2.770 1.384 ( -6.698 -4.655 -2.736) 8.603 1.621 ( 4.627 -2.388 0.414) 5.223 1.753 ( -5.671 -10.410 -0.580) 11.869 1.911 ( 5.586 -6.674 -1.984) 8.926 1.967 ( 1.699 -12.535 -0.817) 12.675 2.031 ( 2.543 -6.951 2.404) 7.782 2.332 ( -2.393 -3.199 -3.379) 5.233 2.373 ( 2.793 -5.014 3.991) 6.990 2.568 ( -5.878 -4.926 -1.732) 7.862 2.631 ( 0.369 -2.675 0.617) 2.770 2.724 ( 2.952 1.415 2.977) 4.425 2.793 ( -1.693 -1.236 -2.167) 3.015 2.880 ( 1.286 -1.300 -1.763) 2.540 2.963 ( -2.535 -4.078 0.212) 4.806 3.122 ( -1.718 -3.504 -1.831) 4.311 3.191 ( -1.693 4.171 0.968) 4.604 3.450 ( 0.223 -9.705 1.147) 9.776 3.495 ( 1.205 -5.861 2.173) 6.366 3.877 ( 0.394 -2.853 0.500) 2.924 3.905 ( 0.590 4.963 -0.439) 5.018 4.120 ( -0.057 -5.899 -0.057) 5.899 4.248 ( 0.481 0.855 -1.056) 1.441 4.583 ( 0.202 4.541 0.189) 4.550 6.190 ( 1.723 -20.759 -0.255) 20.832 6.238 ( 0.027 -24.733 0.463) 24.738 6.790 ( -1.406 -3.370 -1.432) 3.922 7.428 ( 0.272 -2.298 -0.625) 2.397 7.724 ( -0.289 -9.644 0.529) 9.663 8.049 ( 0.291 -4.799 -0.583) 4.843 8.335 ( 0.968 -5.241 0.448) 5.349 8.625 ( -1.945 -3.680 -3.872) 5.685 8.883 ( 0.879 1.905 1.255) 2.445 8.961 ( 0.079 0.871 -0.310) 0.928 9.357 ( -0.221 2.368 0.184) 2.385 9.707 ( 0.040 1.671 0.763) 1.837 ======================= Grid point 298 (130/324) ======================= q-point: (-0.36 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 1.499 5.326 1.364) 5.698 1.439 ( -4.341 -5.539 -0.582) 7.062 1.715 ( 4.178 -4.861 0.236) 6.414 1.886 ( -6.211 -7.757 1.165) 10.006 2.038 ( 1.456 -5.179 -1.609) 5.615 2.145 ( 0.857 -2.644 1.845) 3.336 2.181 ( 5.265 -6.862 3.527) 9.341 2.345 ( 0.105 -0.697 -1.381) 1.550 2.511 ( 1.154 -5.324 1.543) 5.662 2.626 ( -1.697 -3.409 -3.073) 4.893 2.666 ( -2.086 2.665 2.296) 4.090 2.714 ( -2.743 -3.732 -0.413) 4.650 2.809 ( -2.992 -4.641 -2.891) 6.233 2.902 ( 2.129 -2.261 -2.373) 3.909 3.079 ( -4.161 -8.148 -1.356) 9.249 3.105 ( -1.208 4.096 2.008) 4.719 3.201 ( 0.646 -5.000 -2.240) 5.517 3.601 ( 1.314 -5.876 0.476) 6.039 3.632 ( 0.968 -6.878 1.216) 7.052 3.799 ( -0.698 5.541 -0.370) 5.597 3.958 ( -0.103 -4.206 1.433) 4.444 4.154 ( 1.379 0.930 -0.489) 1.734 4.307 ( -1.295 -5.740 -0.320) 5.893 4.487 ( 0.111 5.689 0.402) 5.704 6.549 ( -1.298 -17.907 0.698) 17.967 6.660 ( 3.681 -15.857 -0.343) 16.282 6.962 ( 1.745 -17.096 0.293) 17.187 7.464 ( 0.920 -0.975 -0.714) 1.519 7.944 ( 0.272 -13.721 0.947) 13.756 8.160 ( -0.060 -7.088 -0.762) 7.129 8.462 ( 1.151 -7.345 0.725) 7.470 8.671 ( -2.278 -2.856 -3.329) 4.942 8.856 ( -1.800 0.687 1.638) 2.529 8.957 ( 0.901 0.088 -0.219) 0.932 9.317 ( -0.097 1.489 -0.233) 1.510 9.675 ( 0.265 2.021 0.667) 2.145 ======================= Grid point 299 (131/324) ======================= q-point: (-0.29 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 3.496 2.949 3.103) 5.527 1.557 ( -0.408 -7.840 1.456) 7.985 1.822 ( 1.996 -4.475 0.727) 4.953 1.982 ( -9.590 -5.493 1.906) 11.215 2.106 ( -2.481 5.468 1.792) 6.266 2.140 ( 2.867 -5.540 -1.587) 6.437 2.310 ( 5.315 -3.713 3.296) 7.273 2.379 ( 3.346 -2.464 -0.536) 4.189 2.561 ( 1.907 0.542 -0.170) 1.990 2.593 ( -4.083 1.958 1.426) 4.747 2.676 ( -3.038 -3.393 -2.560) 5.224 2.771 ( -1.249 -3.253 -0.439) 3.512 2.869 ( -5.897 -2.396 -0.439) 6.380 2.987 ( 7.628 -1.070 -0.827) 7.747 3.065 ( -0.924 -2.593 1.176) 2.993 3.188 ( -5.995 -6.039 -3.831) 9.332 3.303 ( 2.307 -6.114 -1.006) 6.611 3.693 ( 0.395 0.690 -0.326) 0.859 3.698 ( -0.148 0.616 -0.292) 0.698 3.746 ( 0.363 -4.900 -0.415) 4.930 4.012 ( -3.447 -1.955 1.329) 4.179 4.144 ( 2.074 1.001 0.220) 2.313 4.363 ( -2.194 2.658 0.564) 3.492 4.412 ( 0.873 -0.968 0.149) 1.312 6.804 ( -3.324 -11.328 0.176) 11.807 6.953 ( 6.902 -14.254 1.197) 15.882 7.352 ( 2.050 -20.101 0.643) 20.216 7.472 ( 1.608 0.342 -0.460) 1.707 8.222 ( 0.138 -15.072 1.045) 15.108 8.307 ( -0.489 -8.996 -1.023) 9.067 8.606 ( 0.502 -7.074 0.434) 7.105 8.693 ( -2.264 -1.565 -1.937) 3.366 8.851 ( -0.578 -0.368 1.449) 1.603 8.953 ( -1.055 0.506 -0.000) 1.170 9.308 ( 0.866 -0.496 -0.539) 1.134 9.638 ( 0.118 2.173 0.657) 2.273 ======================= Grid point 300 (132/324) ======================= q-point: (-0.21 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 3.639 -2.426 2.430) 5.003 1.690 ( 2.077 -3.264 1.674) 4.215 1.895 ( -2.898 -2.238 1.907) 4.128 1.925 ( -3.559 4.267 1.627) 5.790 2.069 ( -3.358 -2.757 -0.428) 4.366 2.257 ( 0.891 -5.485 -1.518) 5.760 2.381 ( 4.254 -1.025 2.746) 5.166 2.460 ( 4.542 -2.127 -1.912) 5.368 2.510 ( -5.155 0.374 4.334) 6.746 2.594 ( 1.293 -0.333 -1.914) 2.333 2.723 ( -2.164 -3.825 -0.954) 4.498 2.788 ( -3.329 1.354 0.833) 3.689 2.858 ( -2.085 -1.016 0.243) 2.332 3.031 ( 2.237 -2.202 0.271) 3.150 3.118 ( 3.966 0.153 0.149) 3.972 3.246 ( -1.526 -3.692 -3.584) 5.368 3.433 ( 0.487 -5.693 -0.496) 5.735 3.614 ( -1.989 2.510 -1.441) 3.512 3.734 ( -0.153 -0.963 -0.733) 1.220 3.827 ( -0.480 -3.571 -0.964) 3.730 4.013 ( -3.839 -0.378 0.949) 3.972 4.131 ( 1.206 1.466 0.967) 2.130 4.284 ( 0.308 3.861 0.939) 3.985 4.446 ( -0.827 -1.311 0.135) 1.556 6.988 ( -2.270 -10.096 0.472) 10.358 7.217 ( 6.559 -8.595 1.348) 10.896 7.484 ( 1.636 -1.975 0.176) 2.571 7.677 ( 0.898 -13.171 0.342) 13.206 8.475 ( -1.855 -10.676 -0.412) 10.843 8.486 ( 0.685 -11.034 -0.090) 11.055 8.678 ( -4.810 -1.753 -1.030) 5.222 8.748 ( 3.448 -4.117 -0.242) 5.376 8.862 ( 0.817 -0.356 1.698) 1.918 8.925 ( -2.416 1.431 0.190) 2.815 9.340 ( 1.642 -2.139 -0.578) 2.758 9.597 ( -0.448 2.328 0.676) 2.465 ======================= Grid point 301 (133/324) ======================= q-point: (-0.14 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 3.333 -7.404 1.040) 8.186 1.594 ( -5.039 10.290 1.480) 11.553 1.912 ( 1.220 -2.378 2.059) 3.374 1.956 ( 1.841 -2.753 -1.406) 3.598 2.097 ( -1.833 -1.199 -0.458) 2.237 2.320 ( -0.290 -1.285 -1.619) 2.087 2.389 ( 0.569 2.355 1.293) 2.746 2.454 ( -0.402 0.201 1.183) 1.266 2.558 ( -1.497 -2.562 2.363) 3.793 2.598 ( 1.296 -0.035 -0.367) 1.348 2.734 ( -5.439 -0.531 -0.159) 5.467 2.817 ( 2.988 -4.649 -1.174) 5.649 2.874 ( -0.627 -0.827 0.400) 1.112 3.047 ( 1.521 1.973 -0.823) 2.624 3.143 ( 3.446 -1.167 2.785) 4.582 3.290 ( 1.523 -1.556 -2.186) 3.086 3.447 ( -4.218 2.277 -1.435) 5.004 3.618 ( 0.783 -3.071 -3.078) 4.418 3.755 ( 0.165 -1.616 1.526) 2.228 3.849 ( -2.211 0.454 -1.522) 2.723 4.012 ( -1.627 -0.916 1.054) 2.144 4.109 ( -0.166 1.287 1.256) 1.806 4.234 ( 0.939 2.012 0.689) 2.325 4.453 ( -0.786 0.018 0.142) 0.799 7.153 ( -2.593 -8.329 0.673) 8.749 7.308 ( 5.378 0.920 0.419) 5.472 7.582 ( 1.039 -6.154 1.169) 6.350 7.847 ( 0.130 -4.999 -0.128) 5.003 8.634 ( 1.990 -2.593 -0.177) 3.273 8.641 ( -2.639 -8.152 -1.359) 8.676 8.685 ( -3.656 -2.427 -0.306) 4.399 8.805 ( 1.652 -0.268 -1.603) 2.318 8.872 ( -0.531 1.135 1.067) 1.646 8.909 ( 0.727 -1.993 2.036) 2.941 9.394 ( 1.716 -2.713 -0.405) 3.235 9.548 ( -1.136 2.638 0.623) 2.939 ======================= Grid point 302 (134/324) ======================= q-point: (-0.07 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 1.355 -7.145 0.020) 7.272 1.374 ( -4.175 8.353 1.185) 9.413 1.927 ( 1.152 1.927 -1.577) 2.744 2.007 ( 2.655 -0.695 -1.076) 2.948 2.093 ( -0.354 0.505 0.367) 0.718 2.289 ( -0.070 3.730 -1.378) 3.977 2.368 ( 0.417 0.195 0.563) 0.727 2.424 ( -0.816 2.156 0.986) 2.507 2.567 ( 2.263 1.226 -0.211) 2.582 2.648 ( -3.022 -4.872 1.420) 5.906 2.718 ( -4.468 0.403 -0.011) 4.486 2.853 ( 1.330 1.321 -0.864) 2.064 2.940 ( 2.804 -3.909 -0.183) 4.814 3.014 ( 1.463 0.811 -0.849) 1.876 3.151 ( 1.960 3.011 2.867) 4.596 3.323 ( -1.885 -2.646 -0.378) 3.271 3.385 ( -0.243 1.725 -2.617) 3.144 3.679 ( -0.620 -3.929 -1.848) 4.386 3.764 ( 0.406 3.313 0.270) 3.349 3.827 ( 0.817 -0.848 0.843) 1.448 4.018 ( -0.681 0.506 1.529) 1.749 4.092 ( -0.875 0.297 0.769) 1.202 4.219 ( 0.495 0.154 0.234) 0.569 4.445 ( -0.223 0.519 0.033) 0.566 7.218 ( 1.007 2.650 1.291) 3.115 7.336 ( -1.450 -4.703 -0.399) 4.938 7.659 ( -0.994 -0.780 0.807) 1.499 7.883 ( 0.676 0.690 -0.339) 1.023 8.630 ( 2.833 2.581 -0.336) 3.847 8.678 ( 1.419 3.245 -1.327) 3.782 8.730 ( -2.782 -1.157 -0.882) 3.140 8.802 ( -2.033 -1.192 -0.169) 2.363 8.857 ( 0.732 0.105 -0.717) 1.030 8.960 ( 0.199 -1.390 2.513) 2.879 9.453 ( 1.461 -2.868 -0.202) 3.225 9.491 ( -1.443 2.824 0.446) 3.203 ======================= Grid point 310 (135/324) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.836 0.000 1.151) 1.423 1.124 ( -8.073 -0.000 -9.959) 12.820 1.406 ( -12.010 -0.000 -8.803) 14.891 1.616 ( -1.220 -0.000 -4.612) 4.770 1.685 ( 3.573 0.000 0.715) 3.644 1.809 ( 6.580 0.000 8.035) 10.386 1.930 ( 3.425 0.000 -9.463) 10.064 2.160 ( 1.825 0.000 5.362) 5.664 2.361 ( -0.750 -0.000 -1.608) 1.775 2.450 ( -11.818 -0.000 1.228) 11.881 2.583 ( 1.981 0.000 0.948) 2.196 2.676 ( 1.944 0.000 1.956) 2.758 2.759 ( -3.017 -0.000 -4.840) 5.703 2.801 ( 8.408 0.000 7.560) 11.307 3.001 ( -2.780 -0.000 0.396) 2.808 3.088 ( -1.771 -0.000 -0.088) 1.773 3.118 ( 0.113 0.000 -0.009) 0.114 3.311 ( -1.900 -0.000 0.085) 1.901 3.480 ( 1.492 0.000 2.321) 2.759 3.842 ( 1.387 0.000 -0.418) 1.449 3.885 ( 0.026 0.000 -0.177) 0.179 4.013 ( -0.365 -0.000 -0.435) 0.568 4.343 ( 0.153 0.000 -0.459) 0.484 4.675 ( 0.008 0.000 -0.003) 0.009 5.530 ( -0.148 -0.000 -1.262) 1.270 5.765 ( 0.202 0.000 0.165) 0.261 6.769 ( -2.602 -0.000 -2.962) 3.943 7.438 ( -0.444 -0.000 -1.003) 1.097 7.470 ( -0.176 -0.000 0.662) 0.685 7.958 ( 0.069 0.000 -0.526) 0.531 8.246 ( 1.763 0.000 -0.169) 1.771 8.539 ( -2.098 -0.000 -4.099) 4.605 8.932 ( -0.277 -0.000 0.174) 0.327 8.998 ( 1.847 0.000 -0.226) 1.861 9.417 ( -0.038 -0.000 0.799) 0.800 9.742 ( -0.004 -0.000 1.052) 1.052 ======================= Grid point 311 (136/324) ======================= q-point: (-0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 1.557 -10.985 -1.761) 11.234 1.178 ( -10.864 -10.719 -6.014) 16.404 1.416 ( -10.873 -12.294 -6.662) 17.713 1.670 ( 2.277 -0.071 -3.612) 4.270 1.732 ( 0.625 -9.484 -2.305) 9.780 1.895 ( 8.422 -0.866 0.044) 8.467 1.933 ( 3.289 -4.160 2.679) 5.941 2.232 ( 0.133 -4.502 2.360) 5.085 2.351 ( -0.502 -0.590 -1.776) 1.937 2.428 ( -13.161 -4.213 1.730) 13.926 2.600 ( -0.713 -1.093 1.366) 1.889 2.723 ( -0.411 -3.357 -0.032) 3.382 2.771 ( 3.237 -1.634 -1.766) 4.033 2.832 ( 0.726 0.005 3.121) 3.204 2.955 ( -4.543 2.208 0.210) 5.056 3.074 ( -0.456 -0.377 -1.631) 1.735 3.225 ( 1.851 -4.917 1.505) 5.465 3.293 ( -1.542 -2.590 0.426) 3.044 3.460 ( 0.882 1.025 2.151) 2.541 3.851 ( 1.078 -0.406 -0.093) 1.156 3.970 ( 2.836 -2.938 -0.592) 4.126 3.996 ( -0.243 -1.899 0.086) 1.917 4.294 ( -2.024 3.468 -0.783) 4.091 4.651 ( -0.065 2.587 0.086) 2.590 5.751 ( -0.088 -22.209 -0.695) 22.220 5.903 ( 2.593 -12.921 0.295) 13.182 6.755 ( -0.281 -0.257 -2.940) 2.964 7.404 ( 0.272 0.269 -0.542) 0.663 7.568 ( -0.149 -7.248 0.174) 7.251 7.980 ( -0.367 -2.528 -0.529) 2.609 8.276 ( 2.442 -2.129 0.330) 3.256 8.546 ( -1.790 -2.578 -4.454) 5.449 8.903 ( -4.789 1.419 0.072) 4.996 9.000 ( 4.206 1.478 0.255) 4.465 9.398 ( -0.595 1.922 0.597) 2.099 9.736 ( 0.323 1.008 0.974) 1.438 ======================= Grid point 312 (137/324) ======================= q-point: (-0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -1.745 0.120 -1.407) 2.245 1.298 ( -7.485 -6.713 -3.261) 10.570 1.643 ( -5.507 -10.055 1.087) 11.516 1.688 ( -0.403 -5.284 -2.673) 5.935 1.965 ( 6.264 -4.228 -3.237) 8.221 1.985 ( 3.150 -14.324 -1.517) 14.744 2.084 ( 3.439 -6.666 7.011) 10.267 2.284 ( -4.214 -3.206 -4.248) 6.789 2.420 ( 3.215 -5.406 3.483) 7.190 2.491 ( -8.816 -8.189 -0.395) 12.039 2.615 ( -3.759 -1.637 1.721) 4.447 2.747 ( -2.214 3.586 0.352) 4.229 2.755 ( -1.321 -0.050 -2.669) 2.978 2.881 ( 0.073 -0.857 -0.897) 1.243 2.919 ( -5.434 -4.496 -1.158) 7.147 3.094 ( -1.496 -3.056 -1.917) 3.905 3.213 ( 4.086 3.346 1.165) 5.408 3.468 ( 2.569 -9.884 1.320) 10.297 3.511 ( 0.192 -5.754 1.855) 6.048 3.865 ( -1.385 0.186 0.005) 1.397 3.928 ( 2.115 2.459 0.237) 3.252 4.130 ( 1.926 -6.181 -0.048) 6.474 4.230 ( -3.013 0.884 -0.978) 3.289 4.582 ( -0.574 4.481 0.254) 4.525 6.212 ( 2.855 -18.367 0.113) 18.588 6.253 ( 2.912 -26.936 0.403) 27.096 6.790 ( 2.611 -4.361 -1.736) 5.371 7.431 ( 0.840 -2.438 -0.682) 2.668 7.727 ( 0.469 -9.904 0.565) 9.931 8.045 ( -0.647 -4.854 -0.554) 4.928 8.354 ( 2.343 -4.897 0.738) 5.479 8.591 ( -1.529 -3.716 -4.344) 5.917 8.848 ( -6.639 1.028 0.537) 6.740 8.988 ( 3.145 1.757 0.577) 3.649 9.353 ( -0.524 2.314 0.033) 2.373 9.714 ( 0.529 1.716 0.773) 1.955 ======================= Grid point 313 (138/324) ======================= q-point: (-0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 2.930 3.453 2.464) 5.155 1.386 ( -5.482 -8.423 -0.585) 10.067 1.748 ( -0.113 -4.620 1.670) 4.914 1.809 ( -7.199 -7.881 0.372) 10.681 2.060 ( 3.109 -3.719 -2.180) 5.315 2.150 ( -1.146 -1.695 2.428) 3.175 2.250 ( 5.226 -6.675 3.768) 9.277 2.336 ( 0.131 -4.024 -3.054) 5.053 2.542 ( 2.786 -4.061 3.012) 5.773 2.593 ( -2.485 -3.738 -2.525) 5.150 2.642 ( -5.024 4.242 1.109) 6.669 2.676 ( -4.076 -6.649 1.503) 7.943 2.756 ( -3.967 -3.897 -4.560) 7.191 2.902 ( -0.626 -4.028 -1.490) 4.340 3.006 ( -7.562 -7.592 -4.145) 11.489 3.113 ( 0.786 2.657 1.875) 3.346 3.224 ( 4.767 -3.382 -1.161) 5.959 3.632 ( 4.381 -5.591 0.613) 7.129 3.642 ( -0.219 -6.553 0.969) 6.628 3.789 ( -0.734 5.490 -0.294) 5.547 3.949 ( -2.832 -2.642 1.188) 4.051 4.172 ( 2.209 0.799 -0.282) 2.366 4.284 ( -2.957 -6.049 -0.162) 6.735 4.487 ( -0.486 5.176 0.406) 5.214 6.541 ( -0.590 -15.565 0.628) 15.589 6.711 ( 6.542 -17.710 -0.320) 18.882 6.996 ( 4.677 -17.021 0.459) 17.658 7.475 ( 1.825 -1.283 -0.803) 2.371 7.952 ( 0.507 -13.625 1.055) 13.675 8.151 ( -0.982 -7.079 -0.715) 7.183 8.478 ( 1.272 -6.844 0.551) 6.983 8.638 ( -1.520 -2.783 -2.995) 4.362 8.819 ( -5.408 -1.335 0.680) 5.612 8.969 ( 0.353 1.427 0.664) 1.613 9.318 ( 0.656 1.157 -0.422) 1.396 9.681 ( 0.453 2.137 0.641) 2.276 ======================= Grid point 314 (139/324) ======================= q-point: (-0.21 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 4.461 2.921 2.974) 6.106 1.563 ( 0.151 -10.753 2.415) 11.022 1.819 ( -5.576 -4.069 2.676) 7.404 1.906 ( -4.512 -4.765 0.236) 6.567 2.066 ( -5.457 3.380 0.062) 6.420 2.173 ( 3.756 -2.995 -0.701) 4.855 2.370 ( 3.830 -3.711 1.992) 5.694 2.411 ( 2.887 -3.437 1.234) 4.655 2.546 ( -4.687 3.609 0.324) 5.925 2.587 ( 2.353 -0.332 -1.767) 2.961 2.643 ( -2.251 -3.565 0.510) 4.247 2.744 ( -3.213 -3.480 -2.387) 5.304 2.818 ( -3.519 -2.413 0.635) 4.314 3.047 ( 3.813 -7.463 -1.289) 8.480 3.064 ( 0.515 0.877 1.269) 1.626 3.107 ( -6.139 -7.752 -4.151) 10.725 3.327 ( 3.121 -5.214 -0.629) 6.109 3.671 ( -3.117 4.538 -0.207) 5.510 3.720 ( 2.937 -1.184 -0.977) 3.314 3.752 ( 1.303 -4.368 0.095) 4.559 3.970 ( -5.570 -1.691 1.226) 5.948 4.168 ( 2.126 1.103 0.485) 2.444 4.340 ( -2.478 0.288 0.397) 2.527 4.417 ( -0.128 0.517 0.242) 0.585 6.781 ( -1.680 -11.361 0.666) 11.504 7.033 ( 8.303 -14.016 0.641) 16.303 7.380 ( 3.104 -19.070 0.801) 19.338 7.492 ( 2.715 0.358 -0.642) 2.813 8.225 ( -0.426 -14.688 1.115) 14.737 8.295 ( -1.164 -9.057 -1.042) 9.190 8.592 ( -3.490 -4.775 -0.816) 5.970 8.687 ( 2.117 -3.772 -0.292) 4.335 8.840 ( -1.948 -2.301 0.400) 3.042 8.938 ( -2.516 1.453 0.665) 2.981 9.320 ( 1.882 -0.737 -0.583) 2.104 9.641 ( 0.001 2.413 0.607) 2.488 ======================= Grid point 315 (140/324) ======================= q-point: (-0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 4.619 -1.898 1.930) 5.354 1.716 ( 1.107 0.859 1.885) 2.349 1.848 ( -7.380 -3.185 4.342) 9.136 1.908 ( -1.741 -1.410 -0.276) 2.257 2.041 ( -1.327 -2.906 -0.921) 3.325 2.256 ( -0.085 -4.286 -1.872) 4.678 2.430 ( 2.347 -0.345 2.047) 3.133 2.459 ( -3.593 2.530 -0.541) 4.427 2.501 ( 1.406 -3.864 2.911) 5.038 2.602 ( 2.152 -0.523 -2.565) 3.389 2.700 ( -3.211 -2.270 0.054) 3.933 2.757 ( -1.968 -1.524 0.416) 2.523 2.844 ( -0.786 -2.026 0.145) 2.178 3.041 ( -0.548 -0.069 -1.101) 1.232 3.163 ( 4.912 -1.427 0.341) 5.127 3.232 ( 0.995 -6.302 -1.618) 6.582 3.428 ( -1.081 -3.408 -0.831) 3.671 3.583 ( -3.019 1.555 -1.204) 3.603 3.733 ( 0.592 -0.369 -1.076) 1.282 3.820 ( -0.516 -2.207 -0.481) 2.316 3.975 ( -4.151 -1.576 1.069) 4.568 4.147 ( 1.136 2.040 1.043) 2.557 4.287 ( -0.149 3.038 0.629) 3.106 4.436 ( -1.266 -1.331 0.136) 1.842 6.971 ( -1.599 -9.860 0.889) 10.028 7.295 ( 8.151 -7.980 0.855) 11.439 7.504 ( 2.176 -1.557 0.044) 2.676 7.688 ( 1.064 -12.232 0.344) 12.283 8.449 ( -2.679 -10.105 -1.041) 10.506 8.490 ( -0.362 -11.480 0.441) 11.494 8.627 ( -4.288 -2.330 -0.715) 4.932 8.782 ( 3.668 -3.507 -0.838) 5.144 8.877 ( 0.946 -1.738 1.602) 2.546 8.896 ( -3.564 1.283 0.485) 3.819 9.357 ( 2.090 -2.092 -0.486) 2.997 9.594 ( -0.728 2.654 0.589) 2.814 ======================= Grid point 316 (141/324) ======================= q-point: (-0.07 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 4.809 -6.712 0.758) 8.292 1.548 ( -5.311 11.099 1.720) 12.424 1.911 ( -2.437 -2.948 0.110) 3.826 1.980 ( 2.985 -3.760 0.002) 4.801 2.083 ( -0.267 -1.577 -0.335) 1.634 2.298 ( -2.740 -1.062 -1.880) 3.488 2.381 ( -2.224 1.770 0.628) 2.911 2.476 ( 2.911 -0.022 1.296) 3.186 2.554 ( -1.283 -1.599 3.341) 3.920 2.610 ( 1.746 0.498 -1.112) 2.129 2.680 ( -4.629 -0.806 -1.094) 4.824 2.840 ( 2.141 -4.258 -1.068) 4.884 2.880 ( 1.183 -2.176 1.341) 2.816 3.039 ( -1.906 -0.341 -2.138) 2.885 3.187 ( 2.990 1.184 2.971) 4.378 3.313 ( 4.238 -0.833 -1.145) 4.469 3.400 ( -3.893 1.765 -0.972) 4.384 3.601 ( -1.406 -3.282 -3.500) 5.000 3.769 ( 1.190 -2.677 1.658) 3.367 3.821 ( -2.173 0.557 -1.022) 2.465 3.997 ( -2.085 -1.887 0.935) 2.964 4.114 ( 0.158 1.953 1.143) 2.268 4.243 ( 0.398 1.894 0.507) 2.000 4.445 ( -0.862 -0.270 0.111) 0.910 7.131 ( -2.403 -7.954 0.901) 8.358 7.366 ( 6.045 2.679 0.058) 6.612 7.601 ( 1.795 -5.559 1.139) 5.951 7.846 ( -0.328 -4.819 -0.165) 4.833 8.601 ( -3.606 -7.375 -2.037) 8.458 8.645 ( -3.865 -3.663 0.455) 5.344 8.659 ( 2.323 -4.334 0.104) 4.918 8.814 ( 1.718 1.334 -1.890) 2.882 8.862 ( -1.707 0.486 0.296) 1.800 8.934 ( 1.947 -2.446 2.519) 4.015 9.410 ( 1.768 -2.592 -0.258) 3.148 9.538 ( -1.391 2.872 0.491) 3.228 ======================= Grid point 325 (142/324) ======================= q-point: (-0.43 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 2.852 0.000 1.472) 3.209 0.989 ( -11.074 -0.000 -9.890) 14.848 1.217 ( -17.248 -0.000 -10.835) 20.369 1.581 ( -1.034 -0.000 -6.253) 6.337 1.720 ( 3.822 0.000 -2.638) 4.644 1.912 ( 6.450 0.000 9.794) 11.727 1.940 ( 4.363 0.000 -6.136) 7.529 2.200 ( 1.873 0.000 5.220) 5.546 2.296 ( -16.693 -0.000 0.065) 16.693 2.344 ( -4.883 -0.000 -0.652) 4.927 2.584 ( -1.588 -0.000 0.519) 1.671 2.701 ( -4.142 -0.000 -6.225) 7.477 2.709 ( 2.265 0.000 4.345) 4.900 2.904 ( 4.776 0.000 5.516) 7.296 2.953 ( -4.647 -0.000 0.029) 4.647 3.093 ( 2.086 0.000 -0.980) 2.304 3.120 ( 0.353 0.000 -0.211) 0.411 3.290 ( -1.971 -0.000 1.165) 2.290 3.490 ( -0.860 -0.000 1.834) 2.026 3.882 ( 5.698 0.000 -0.007) 5.698 3.888 ( 0.638 0.000 -0.185) 0.664 4.017 ( 1.693 0.000 -0.599) 1.796 4.317 ( -4.668 -0.000 -0.281) 4.676 4.677 ( 0.263 0.000 -0.027) 0.264 5.497 ( -4.932 -0.000 -1.184) 5.072 5.798 ( 5.679 0.000 0.023) 5.679 6.750 ( 1.332 0.000 -3.680) 3.913 7.434 ( 0.461 0.000 -1.211) 1.296 7.472 ( -0.057 -0.000 0.684) 0.687 7.951 ( -0.993 -0.000 -0.555) 1.138 8.274 ( 3.622 0.000 0.330) 3.637 8.504 ( -1.467 -0.000 -4.748) 4.970 8.891 ( -5.653 -0.000 -0.643) 5.689 9.038 ( 3.951 0.000 0.886) 4.049 9.415 ( -0.841 -0.000 0.749) 1.126 9.750 ( 0.529 0.000 1.055) 1.181 ======================= Grid point 326 (143/324) ======================= q-point: (-0.36 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -5.042 -5.420 -4.329) 8.576 1.065 ( -5.788 -14.325 -3.335) 15.806 1.267 ( -12.570 -18.031 -6.432) 22.902 1.668 ( 1.121 -5.741 -4.601) 7.442 1.738 ( 2.655 -5.209 -4.081) 7.130 1.952 ( 5.351 -1.062 -3.158) 6.304 2.008 ( 4.927 -4.602 8.947) 11.203 2.207 ( -10.057 -1.381 0.267) 10.155 2.287 ( -10.747 -6.115 2.395) 12.595 2.347 ( -1.465 -3.253 -0.923) 3.685 2.588 ( -2.421 -1.100 1.238) 2.933 2.695 ( -3.498 -1.762 -3.487) 5.244 2.790 ( 2.032 -6.020 0.796) 6.403 2.855 ( -0.713 5.164 2.708) 5.875 2.902 ( -4.558 2.664 0.297) 5.288 3.067 ( 0.221 0.934 -2.527) 2.703 3.269 ( 4.916 -3.227 2.688) 6.466 3.285 ( -0.194 -6.912 0.796) 6.960 3.466 ( -0.792 0.816 1.130) 1.603 3.863 ( 1.551 0.608 -0.134) 1.671 3.993 ( -0.154 -0.062 0.024) 0.167 4.011 ( 4.627 -4.029 -0.321) 6.144 4.255 ( -4.715 2.829 -0.628) 5.534 4.648 ( -0.586 2.853 0.112) 2.914 5.746 ( 0.051 -25.647 -0.375) 25.650 5.947 ( 5.675 -11.935 0.090) 13.216 6.758 ( 3.384 -0.803 -3.187) 4.718 7.407 ( 0.738 0.140 -0.621) 0.974 7.570 ( 0.376 -7.429 0.182) 7.441 7.969 ( -1.229 -2.669 -0.521) 2.985 8.310 ( 3.830 -1.799 0.570) 4.269 8.513 ( -1.046 -2.602 -4.897) 5.643 8.842 ( -6.750 1.743 -0.394) 6.982 9.039 ( 2.222 1.728 1.345) 3.120 9.392 ( -0.761 1.964 0.291) 2.127 9.744 ( 0.626 1.037 0.893) 1.505 ======================= Grid point 327 (144/324) ======================= q-point: (-0.29 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -4.146 -4.762 0.683) 6.350 1.219 ( -5.603 -6.152 -3.944) 9.209 1.551 ( -10.348 -13.710 1.773) 17.268 1.713 ( 4.303 -2.537 -2.191) 5.455 1.989 ( 2.923 -13.685 -4.463) 14.688 2.029 ( 4.748 -5.071 -0.679) 6.980 2.121 ( -3.964 -5.919 4.823) 8.603 2.232 ( -0.971 -4.940 -1.821) 5.354 2.390 ( -11.067 -11.687 0.603) 16.107 2.452 ( 0.934 -6.924 0.444) 7.001 2.593 ( -2.397 0.107 4.630) 5.215 2.684 ( -5.946 0.255 -4.201) 7.284 2.752 ( -1.076 4.966 0.721) 5.132 2.835 ( -7.337 -0.780 -1.662) 7.563 2.900 ( 2.340 -2.033 -1.479) 3.435 3.080 ( -0.446 -3.635 -1.471) 3.947 3.263 ( 4.500 2.519 1.237) 5.304 3.501 ( 0.031 -8.122 1.350) 8.234 3.522 ( 3.632 -8.233 1.130) 9.069 3.860 ( 0.545 1.234 -0.285) 1.379 3.935 ( -1.129 3.044 0.424) 3.274 4.144 ( -1.024 -6.928 -0.060) 7.004 4.198 ( -0.630 1.333 -0.754) 1.657 4.574 ( -1.213 4.445 0.297) 4.617 6.246 ( 3.626 -16.446 0.244) 16.843 6.300 ( 6.321 -28.219 0.108) 28.919 6.826 ( 5.949 -5.466 -1.533) 8.223 7.439 ( 1.159 -2.695 -0.755) 3.030 7.737 ( 1.047 -10.119 0.633) 10.193 8.033 ( -1.257 -4.870 -0.482) 5.053 8.383 ( 2.641 -4.190 0.500) 4.978 8.563 ( -0.555 -3.822 -4.327) 5.800 8.777 ( -7.625 0.658 0.455) 7.667 9.007 ( -0.576 2.270 1.373) 2.714 9.351 ( 0.425 1.983 -0.338) 2.056 9.722 ( 0.565 1.781 0.666) 1.983 ======================= Grid point 328 (145/324) ======================= q-point: (-0.21 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 4.201 1.940 3.365) 5.721 1.327 ( -6.312 -11.853 0.085) 13.429 1.681 ( -11.780 -6.915 4.298) 14.320 1.804 ( 3.209 -4.938 -1.576) 6.096 2.054 ( -3.089 -0.768 -2.046) 3.783 2.160 ( 2.140 -2.898 0.827) 3.696 2.299 ( 1.550 -7.714 0.759) 7.905 2.336 ( 2.181 -5.501 -0.319) 5.926 2.546 ( -5.682 -5.105 -3.719) 8.496 2.565 ( -2.756 -3.775 0.383) 4.690 2.593 ( -2.368 0.394 3.154) 3.964 2.667 ( -0.032 -4.019 5.324) 6.671 2.701 ( -3.021 -4.223 -4.827) 7.090 2.877 ( -3.977 -6.853 -1.825) 8.131 2.918 ( -4.884 -3.637 -4.895) 7.813 3.128 ( 0.721 0.643 1.304) 1.623 3.274 ( 5.610 -2.165 -0.670) 6.051 3.633 ( -2.121 -6.307 0.330) 6.663 3.688 ( 6.054 -4.891 0.899) 7.835 3.785 ( 0.001 5.624 -0.249) 5.629 3.913 ( -4.955 -1.305 0.878) 5.199 4.186 ( 0.108 -0.338 -0.264) 0.443 4.259 ( -1.204 -5.406 0.043) 5.539 4.481 ( -1.166 4.726 0.362) 4.881 6.544 ( 0.649 -13.866 0.789) 13.904 6.781 ( 7.973 -18.805 -0.779) 20.440 7.057 ( 7.048 -16.114 0.681) 17.601 7.492 ( 2.210 -1.844 -0.983) 3.042 7.962 ( 0.734 -13.200 1.096) 13.265 8.136 ( -1.554 -6.990 -0.659) 7.191 8.481 ( -1.033 -5.205 -0.535) 5.333 8.625 ( 0.901 -3.655 -1.674) 4.120 8.767 ( -5.107 -3.065 0.276) 5.963 8.959 ( -3.236 2.040 1.145) 3.993 9.329 ( 1.958 0.772 -0.574) 2.181 9.688 ( 0.264 2.286 0.538) 2.363 ======================= Grid point 329 (146/324) ======================= q-point: (-0.14 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 4.959 3.017 2.217) 6.214 1.573 ( -1.236 -14.182 3.546) 14.671 1.745 ( -9.444 -5.136 3.991) 11.467 1.887 ( -1.050 -1.813 -0.701) 2.209 2.013 ( -4.005 1.449 -1.331) 4.462 2.200 ( 2.015 -1.306 -1.177) 2.674 2.386 ( -2.523 -3.743 1.772) 4.849 2.441 ( 1.433 -3.457 1.181) 3.924 2.508 ( -1.305 2.205 -0.665) 2.647 2.595 ( 1.224 -1.205 -3.192) 3.625 2.632 ( -2.377 -2.406 1.574) 3.730 2.704 ( -1.091 -3.345 -2.204) 4.152 2.803 ( -0.963 -1.893 1.560) 2.635 3.016 ( -6.102 -7.353 -4.252) 10.458 3.050 ( -0.487 -11.952 -0.104) 11.963 3.111 ( 3.601 -0.763 1.076) 3.835 3.358 ( 3.480 -3.483 -0.460) 4.945 3.631 ( -4.819 4.292 -0.268) 6.459 3.735 ( 1.182 -0.266 -1.242) 1.735 3.777 ( 3.014 -2.285 0.040) 3.782 3.920 ( -4.929 -1.990 1.591) 5.549 4.187 ( 1.245 0.996 0.410) 1.647 4.320 ( -1.867 -0.856 0.225) 2.066 4.412 ( -1.125 1.015 0.225) 1.532 6.775 ( -0.376 -10.990 1.090) 11.050 7.119 ( 8.561 -14.137 0.029) 16.527 7.419 ( 4.111 -17.242 0.830) 17.745 7.519 ( 3.238 0.142 -0.923) 3.370 8.222 ( -1.094 -13.472 0.844) 13.543 8.277 ( -1.580 -9.524 -0.896) 9.696 8.545 ( -4.459 -3.693 -1.037) 5.882 8.718 ( 3.477 -4.945 -0.117) 6.046 8.823 ( -1.609 -3.972 0.198) 4.290 8.907 ( -4.449 1.591 1.027) 4.835 9.339 ( 2.443 -0.760 -0.528) 2.612 9.642 ( -0.279 2.675 0.493) 2.734 ======================= Grid point 330 (147/324) ======================= q-point: (-0.07 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 5.534 -1.738 1.205) 5.925 1.718 ( -2.261 7.877 1.894) 8.411 1.790 ( -7.716 -7.958 3.305) 11.567 1.893 ( -0.490 -5.974 0.433) 6.009 2.038 ( 1.253 -3.143 -1.058) 3.545 2.235 ( -2.868 -2.716 -2.028) 4.440 2.401 ( -5.331 1.191 1.561) 5.681 2.459 ( 1.343 -1.555 -2.047) 2.901 2.537 ( 2.719 -2.088 3.413) 4.837 2.615 ( 2.926 -0.693 -3.223) 4.408 2.650 ( -5.951 -0.577 0.450) 5.996 2.764 ( 1.961 -3.917 0.284) 4.390 2.841 ( -0.049 -2.757 0.309) 2.775 3.015 ( -2.504 0.709 -2.473) 3.590 3.216 ( 4.849 -3.769 1.524) 6.328 3.249 ( 2.622 -7.302 0.057) 7.759 3.404 ( -3.216 -0.296 -0.902) 3.353 3.547 ( -3.160 0.604 -1.264) 3.457 3.739 ( 1.431 -0.705 -0.902) 1.833 3.808 ( -1.831 -0.682 -0.318) 1.980 3.947 ( -2.309 -2.271 1.355) 3.511 4.160 ( 0.688 2.298 0.853) 2.546 4.286 ( -0.477 2.403 0.336) 2.473 4.423 ( -1.482 -1.498 0.102) 2.110 6.963 ( -0.955 -9.307 1.249) 9.439 7.382 ( 8.636 -7.748 0.328) 11.607 7.527 ( 2.450 -1.014 -0.233) 2.662 7.700 ( 0.908 -10.845 0.292) 10.887 8.415 ( -2.920 -9.683 -1.550) 10.232 8.477 ( -2.941 -10.706 0.689) 11.124 8.596 ( -1.366 -4.037 -0.431) 4.283 8.809 ( 2.578 -2.731 -1.899) 4.208 8.859 ( -4.037 0.525 0.621) 4.118 8.897 ( 1.498 -3.038 2.241) 4.062 9.376 ( 1.974 -1.919 -0.352) 2.775 9.587 ( -0.918 2.975 0.442) 3.144 ======================= Grid point 340 (148/324) ======================= q-point: (-0.36 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 2.234 0.000 -0.813) 2.377 0.832 ( -11.597 -0.000 -6.519) 13.304 0.990 ( -19.477 -0.000 -11.032) 22.384 1.551 ( -0.176 -0.000 -5.734) 5.737 1.743 ( 4.006 0.000 -4.250) 5.840 1.943 ( -3.907 -0.000 -2.602) 4.694 2.009 ( 5.371 0.000 9.335) 10.770 2.103 ( -19.515 -0.000 3.246) 19.783 2.237 ( 1.544 0.000 4.446) 4.706 2.291 ( -4.147 -0.000 -4.548) 6.155 2.564 ( -2.511 -0.000 0.341) 2.534 2.630 ( -4.726 -0.000 -6.831) 8.307 2.754 ( 2.672 0.000 5.523) 6.135 2.878 ( -6.322 -0.000 0.545) 6.345 2.966 ( 0.463 0.000 1.836) 1.893 3.121 ( 4.421 0.000 -0.494) 4.448 3.123 ( 0.545 0.000 -0.359) 0.652 3.290 ( 0.472 0.000 1.870) 1.929 3.488 ( -0.583 -0.000 1.739) 1.834 3.896 ( 1.115 0.000 -0.198) 1.132 3.932 ( 3.714 0.000 0.048) 3.714 4.041 ( 2.842 0.000 -0.543) 2.893 4.260 ( -5.794 -0.000 0.025) 5.794 4.678 ( -0.280 -0.000 -0.074) 0.290 5.436 ( -5.921 -0.000 -0.945) 5.996 5.864 ( 7.264 0.000 -0.192) 7.266 6.766 ( 4.616 0.000 -3.590) 5.847 7.437 ( 1.082 0.000 -1.238) 1.644 7.474 ( 0.087 0.000 0.700) 0.706 7.934 ( -1.889 -0.000 -0.559) 1.970 8.318 ( 4.789 0.000 0.409) 4.807 8.474 ( -0.418 -0.000 -5.014) 5.031 8.830 ( -5.844 -0.000 -0.900) 5.913 9.069 ( 0.787 0.000 2.080) 2.224 9.410 ( -0.435 -0.000 0.263) 0.508 9.759 ( 0.570 0.000 0.892) 1.058 ======================= Grid point 341 (149/324) ======================= q-point: (-0.29 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -13.432 -6.222 -2.809) 15.067 1.003 ( -7.419 -13.396 -7.719) 17.149 1.165 ( -2.064 -23.131 -0.324) 23.226 1.659 ( -0.132 -9.577 -3.164) 10.087 1.752 ( 3.751 -2.273 -4.989) 6.642 1.942 ( -13.999 -6.768 0.600) 15.561 2.038 ( -4.822 -0.040 1.430) 5.030 2.112 ( 1.243 -6.074 7.369) 9.630 2.226 ( -4.557 -0.685 -1.796) 4.946 2.337 ( -0.206 -5.221 -0.860) 5.295 2.563 ( -2.833 -1.745 -0.917) 3.451 2.641 ( -4.448 -2.195 -2.314) 5.473 2.810 ( -3.058 -0.079 1.764) 3.531 2.827 ( -1.166 -0.333 2.366) 2.659 2.892 ( 0.631 4.220 0.626) 4.313 3.057 ( -0.127 2.104 -2.413) 3.204 3.283 ( -0.231 -3.654 0.511) 3.696 3.344 ( 6.624 -8.929 2.644) 11.428 3.458 ( -1.228 1.650 0.510) 2.119 3.880 ( 2.002 1.026 -0.329) 2.273 3.991 ( -0.382 0.359 0.195) 0.559 4.034 ( -1.133 -2.085 -0.117) 2.376 4.219 ( -0.735 1.260 -0.454) 1.528 4.640 ( -1.250 3.115 0.166) 3.361 5.760 ( 3.562 -30.610 -0.449) 30.820 6.008 ( 6.339 -10.956 -0.026) 12.658 6.795 ( 6.105 -1.366 -2.659) 6.798 7.413 ( 1.035 0.098 -0.638) 1.219 7.576 ( 0.658 -7.739 0.307) 7.773 7.952 ( -1.756 -2.957 -0.493) 3.474 8.352 ( 4.170 -1.188 0.261) 4.344 8.489 ( 0.215 -2.595 -4.909) 5.556 8.773 ( -6.699 2.353 -0.113) 7.101 9.048 ( -2.106 2.283 2.291) 3.860 9.389 ( 0.430 1.824 -0.294) 1.897 9.753 ( 0.438 1.059 0.697) 1.341 ======================= Grid point 342 (150/324) ======================= q-point: (-0.21 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -6.493 -12.064 3.488) 14.137 1.150 ( -5.447 -5.349 -3.462) 8.383 1.474 ( -6.800 -10.874 3.241) 13.229 1.743 ( 3.147 -3.250 -2.189) 5.026 1.974 ( -6.920 -13.504 -4.868) 15.936 2.032 ( -3.047 -7.752 2.451) 8.682 2.086 ( 2.046 -8.269 -2.537) 8.889 2.243 ( -2.006 -5.025 -1.846) 5.717 2.304 ( -4.475 -11.894 5.341) 13.785 2.441 ( -1.900 -6.176 -2.089) 6.791 2.598 ( -1.606 -3.309 -1.423) 3.943 2.610 ( -5.375 2.291 2.933) 6.538 2.743 ( -1.588 3.761 -0.883) 4.177 2.762 ( -4.974 1.406 -0.169) 5.171 2.924 ( 3.269 1.442 -1.224) 3.776 3.068 ( -1.209 -5.127 -0.570) 5.298 3.309 ( 4.035 1.372 0.710) 4.320 3.481 ( -3.353 -6.714 -0.232) 7.508 3.587 ( 7.039 -10.105 1.672) 12.428 3.870 ( 1.716 1.559 -0.648) 2.407 3.907 ( -4.933 4.457 0.548) 6.671 4.104 ( -4.912 -5.029 -0.168) 7.032 4.222 ( 4.248 -0.551 -0.320) 4.296 4.561 ( -1.651 4.433 0.313) 4.741 6.284 ( 3.910 -14.882 0.340) 15.391 6.380 ( 9.960 -28.191 -0.916) 29.913 6.892 ( 8.072 -6.554 -0.762) 10.426 7.447 ( 1.122 -2.916 -0.864) 3.242 7.752 ( 1.372 -10.363 0.822) 10.486 8.018 ( -1.389 -4.845 -0.407) 5.057 8.403 ( 1.085 -2.768 -0.535) 3.020 8.549 ( 1.112 -4.255 -3.864) 5.854 8.707 ( -6.807 0.171 1.402) 6.952 8.985 ( -4.943 2.619 1.693) 5.845 9.361 ( 1.932 1.561 -0.615) 2.559 9.729 ( 0.225 1.835 0.494) 1.914 ======================= Grid point 343 (151/324) ======================= q-point: (-0.14 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 4.485 1.754 3.208) 5.786 1.261 ( -7.671 -16.156 1.788) 17.974 1.582 ( -11.682 -6.912 4.755) 14.383 1.830 ( 3.280 -4.077 -1.631) 5.481 2.000 ( -4.897 -0.677 -2.154) 5.392 2.184 ( 2.459 -2.788 -2.031) 4.236 2.299 ( -0.893 -8.506 0.142) 8.553 2.362 ( 1.216 -4.017 1.643) 4.507 2.445 ( -9.528 -9.451 -3.880) 13.970 2.535 ( -3.593 -1.134 0.861) 3.865 2.595 ( -0.144 -6.255 3.130) 6.996 2.653 ( -0.611 0.716 -7.180) 7.242 2.715 ( 1.238 -6.221 7.552) 9.862 2.813 ( -3.975 -9.877 -3.264) 11.136 2.880 ( -1.492 1.307 -2.130) 2.911 3.135 ( -0.037 -0.908 0.905) 1.283 3.326 ( 5.397 -1.643 -0.584) 5.672 3.602 ( -3.900 -5.821 -0.520) 7.026 3.742 ( 1.767 -0.365 0.852) 1.995 3.792 ( 3.128 2.170 0.059) 3.807 3.869 ( -3.885 -0.946 0.710) 4.061 4.168 ( -2.930 -3.763 -0.427) 4.788 4.265 ( 1.888 -2.146 0.134) 2.861 4.467 ( -1.742 4.495 0.290) 4.829 6.559 ( 1.455 -12.703 1.044) 12.829 6.858 ( 8.340 -18.823 -1.695) 20.658 7.138 ( 8.512 -14.900 1.001) 17.189 7.509 ( 1.915 -2.589 -1.263) 3.459 7.975 ( 0.952 -12.499 1.115) 12.584 8.116 ( -1.871 -6.720 -0.604) 7.002 8.454 ( -3.191 -3.390 -1.245) 4.819 8.638 ( 2.415 -4.983 -1.614) 5.768 8.727 ( -3.184 -4.414 1.366) 5.611 8.916 ( -6.055 2.012 1.103) 6.476 9.351 ( 2.678 0.616 -0.557) 2.804 9.690 ( -0.122 2.414 0.391) 2.448 ======================= Grid point 344 (152/324) ======================= q-point: (-0.07 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 5.132 2.779 1.125) 5.944 1.546 ( -7.994 -14.509 4.634) 17.202 1.693 ( -3.913 -9.695 3.206) 10.935 1.862 ( -3.196 3.111 -0.191) 4.465 1.989 ( 0.753 -1.775 -2.456) 3.122 2.197 ( -1.725 0.460 -1.689) 2.458 2.341 ( -6.166 -3.551 0.571) 7.139 2.443 ( -0.787 -1.047 -0.046) 1.311 2.523 ( 2.970 -2.606 0.419) 3.973 2.585 ( -3.581 -3.999 1.365) 5.539 2.600 ( 0.763 -0.157 -7.177) 7.219 2.715 ( 2.416 -3.574 0.570) 4.352 2.803 ( -0.839 -0.282 2.268) 2.435 2.951 ( -3.859 -8.831 -2.559) 9.971 3.049 ( 0.167 -13.796 1.011) 13.834 3.146 ( 2.421 -2.064 1.411) 3.480 3.388 ( 2.506 -1.334 -0.452) 2.875 3.575 ( -5.869 3.626 -0.567) 6.922 3.737 ( 0.017 -0.929 -0.777) 1.211 3.793 ( 0.118 0.676 -0.859) 1.099 3.902 ( 0.125 -2.257 2.208) 3.160 4.195 ( 0.206 0.321 0.017) 0.382 4.307 ( -0.863 -0.937 0.157) 1.284 4.398 ( -1.836 1.153 0.138) 2.173 6.780 ( 0.333 -10.484 1.450) 10.589 7.199 ( 7.587 -14.516 -0.659) 16.392 7.467 ( 4.850 -14.826 0.803) 15.619 7.546 ( 3.004 -0.334 -1.317) 3.297 8.211 ( -1.470 -11.370 0.099) 11.465 8.256 ( -2.234 -10.234 -0.372) 10.482 8.504 ( -2.936 -4.222 -0.707) 5.191 8.742 ( 1.593 -4.854 -1.842) 5.431 8.818 ( 0.177 -4.797 1.937) 5.176 8.861 ( -5.178 0.513 0.886) 5.278 9.362 ( 2.348 -0.561 -0.402) 2.448 9.640 ( -0.558 2.884 0.336) 2.956 ======================= Grid point 355 (153/324) ======================= q-point: (-0.29 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -15.019 -0.000 -7.136) 16.628 0.752 ( -20.172 -0.000 -8.429) 21.862 0.855 ( 4.279 0.000 1.701) 4.605 1.533 ( 0.705 0.000 -4.260) 4.318 1.744 ( -32.016 -0.000 4.562) 32.340 1.771 ( 4.388 0.000 -3.239) 5.454 2.034 ( -0.135 -0.000 -0.375) 0.399 2.088 ( 3.743 0.000 7.180) 8.097 2.229 ( -3.677 -0.000 -6.173) 7.185 2.265 ( 1.011 0.000 3.355) 3.504 2.541 ( -2.436 -0.000 0.611) 2.511 2.557 ( -4.474 -0.000 -6.100) 7.564 2.800 ( 0.657 0.000 5.819) 5.856 2.821 ( -3.908 -0.000 -0.299) 3.919 2.959 ( -2.255 -0.000 1.323) 2.614 3.128 ( 0.685 0.000 -0.356) 0.772 3.168 ( 4.710 0.000 -0.507) 4.737 3.302 ( 0.819 0.000 -0.570) 0.998 3.499 ( 0.868 0.000 4.036) 4.128 3.908 ( 1.395 0.000 -0.198) 1.409 3.957 ( 1.493 0.000 0.107) 1.497 4.039 ( -3.765 -0.000 -0.173) 3.769 4.231 ( 1.034 0.000 0.099) 1.039 4.670 ( -1.181 -0.000 -0.041) 1.182 5.376 ( -5.407 -0.000 -0.753) 5.459 5.935 ( 7.130 0.000 -0.279) 7.135 6.810 ( 6.729 0.000 -2.500) 7.179 7.444 ( 1.305 0.000 -1.030) 1.662 7.479 ( 0.260 0.000 0.710) 0.756 7.910 ( -2.485 -0.000 -0.544) 2.544 8.367 ( 4.850 0.000 -0.067) 4.850 8.458 ( 1.231 0.000 -4.887) 5.040 8.773 ( -4.788 -0.000 -0.535) 4.818 9.067 ( -3.242 -0.000 3.005) 4.421 9.412 ( 0.917 0.000 -0.458) 1.025 9.767 ( 0.226 0.000 0.644) 0.682 ======================= Grid point 356 (154/324) ======================= q-point: (-0.21 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -13.873 -9.187 1.853) 16.741 0.868 ( -11.558 -19.372 -5.877) 23.311 1.199 ( 6.607 -20.422 0.169) 21.465 1.593 ( -18.831 -7.887 1.124) 20.447 1.748 ( -8.556 -13.818 -1.707) 16.341 1.783 ( 0.926 -2.025 -0.441) 2.270 2.032 ( 0.019 -0.394 -0.665) 0.774 2.169 ( 0.844 -3.120 4.148) 5.259 2.177 ( -0.675 -1.626 -2.852) 3.351 2.330 ( -0.607 -4.377 -1.273) 4.599 2.523 ( -3.114 -1.868 -3.614) 5.123 2.599 ( -3.724 -2.705 1.945) 4.997 2.761 ( -4.832 2.491 -0.312) 5.445 2.847 ( -0.302 2.346 4.946) 5.483 2.905 ( 1.428 -1.720 -0.001) 2.235 3.049 ( 0.300 4.107 -1.465) 4.371 3.277 ( -0.910 -4.440 -1.145) 4.675 3.409 ( 4.322 -10.403 -0.125) 11.265 3.457 ( 0.745 3.308 2.895) 4.459 3.896 ( 1.139 1.262 -0.415) 1.750 3.973 ( -5.161 3.807 0.273) 6.419 4.004 ( -1.676 -3.539 0.243) 3.924 4.241 ( 4.546 0.179 -0.201) 4.554 4.625 ( -1.743 3.174 0.224) 3.628 5.820 ( 9.787 -36.464 -1.672) 37.791 6.070 ( 5.960 -10.182 -0.019) 11.798 6.856 ( 7.568 -1.883 -1.053) 7.870 7.422 ( 1.174 0.176 -0.616) 1.338 7.585 ( 0.653 -8.123 0.685) 8.178 7.932 ( -1.843 -3.462 -0.474) 3.950 8.388 ( 2.975 -0.064 -0.753) 3.070 8.481 ( 1.967 -2.508 -4.656) 5.643 8.713 ( -5.646 3.062 1.232) 6.540 9.014 ( -6.548 3.098 2.574) 7.688 9.399 ( 1.752 1.521 -0.726) 2.431 9.758 ( 0.014 1.070 0.459) 1.165 ======================= Grid point 357 (155/324) ======================= q-point: (-0.14 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -8.157 -17.262 4.164) 19.541 1.084 ( -7.132 -7.389 2.078) 10.478 1.435 ( -4.520 -4.904 2.601) 7.159 1.735 ( -4.497 -11.068 -2.143) 12.137 1.869 ( -4.966 -9.645 -2.112) 11.052 2.042 ( 1.209 -13.773 2.238) 14.006 2.093 ( 0.377 -8.997 -3.337) 9.604 2.173 ( -5.108 -4.522 -4.152) 7.987 2.332 ( 1.451 -6.997 5.480) 9.005 2.405 ( -3.128 -6.146 -3.358) 7.670 2.535 ( -4.965 -0.769 -2.369) 5.555 2.606 ( -1.993 -1.581 2.503) 3.569 2.696 ( -3.440 1.665 -2.356) 4.489 2.764 ( 0.983 3.204 3.386) 4.764 2.950 ( 2.376 4.773 -0.631) 5.368 3.055 ( -0.956 -6.862 0.420) 6.941 3.348 ( 3.485 -0.562 0.071) 3.531 3.439 ( -4.288 -6.207 -1.414) 7.676 3.664 ( 6.898 -10.599 1.360) 12.719 3.844 ( -7.119 3.746 0.845) 8.088 3.889 ( 2.013 3.116 -0.932) 3.825 4.061 ( -3.740 -4.148 -0.029) 5.585 4.265 ( 4.457 -0.242 -0.074) 4.464 4.545 ( -1.947 4.470 0.245) 4.882 6.324 ( 3.636 -13.678 0.505) 14.162 6.485 ( 12.640 -26.221 -3.338) 29.299 6.977 ( 8.914 -7.497 0.740) 11.671 7.453 ( 0.818 -2.912 -1.050) 3.202 7.770 ( 1.361 -10.668 1.311) 10.834 8.004 ( -1.107 -4.737 -0.368) 4.879 8.397 ( -1.325 -0.925 -1.445) 2.168 8.548 ( 1.202 -4.665 -4.395) 6.521 8.664 ( -3.473 -0.832 3.844) 5.247 8.927 ( -7.783 2.528 1.401) 8.303 9.381 ( 2.572 1.266 -0.624) 2.934 9.730 ( -0.196 1.872 0.309) 1.908 ======================= Grid point 358 (156/324) ======================= q-point: (-0.07 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -2.617 -1.118 0.891) 2.982 1.214 ( -2.036 -17.010 5.775) 18.079 1.481 ( -12.311 -6.985 3.204) 14.512 1.857 ( 3.144 -3.140 -0.855) 4.525 1.956 ( -1.661 -2.346 -2.458) 3.782 2.187 ( 0.777 -2.416 -4.034) 4.766 2.270 ( -6.153 -1.343 -0.646) 6.331 2.355 ( -5.024 -16.700 -1.293) 17.487 2.372 ( 0.051 -5.389 1.742) 5.663 2.503 ( -3.101 -1.776 0.298) 3.586 2.608 ( 1.121 -1.731 -2.501) 3.241 2.638 ( 1.536 -4.377 0.069) 4.640 2.701 ( -4.439 -9.913 -2.460) 11.136 2.821 ( 1.693 -7.997 4.764) 9.461 2.866 ( 0.687 4.123 0.213) 4.185 3.135 ( -0.592 -1.951 0.574) 2.118 3.375 ( 4.777 -1.255 -0.578) 4.973 3.553 ( -5.083 -4.879 -1.299) 7.164 3.719 ( -4.959 2.401 1.007) 5.601 3.838 ( 2.116 3.140 -1.661) 4.134 3.863 ( 4.151 -4.381 2.219) 6.430 4.132 ( -3.605 -5.533 -0.637) 6.635 4.288 ( 2.473 -0.305 0.125) 2.494 4.449 ( -2.177 4.442 0.155) 4.949 6.579 ( 1.580 -11.908 1.317) 12.085 6.929 ( 7.486 -18.045 -2.996) 19.764 7.229 ( 8.659 -13.670 1.424) 16.244 7.518 ( 1.024 -3.329 -1.658) 3.857 7.990 ( 1.082 -11.698 1.226) 11.811 8.094 ( -2.031 -6.108 -0.560) 6.461 8.418 ( -3.001 -2.997 -0.949) 4.346 8.643 ( 0.418 -5.711 -3.755) 6.848 8.725 ( 0.349 -5.021 4.064) 6.469 8.853 ( -6.991 1.521 0.706) 7.190 9.375 ( 2.513 0.651 -0.441) 2.634 9.688 ( -0.447 2.504 0.229) 2.554 ======================= Grid point 370 (157/324) ======================= q-point: (-0.21 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -15.498 -0.000 -2.719) 15.735 0.540 ( -18.096 -0.000 0.335) 18.099 0.902 ( 3.822 0.000 1.191) 4.004 1.411 ( -39.136 -0.000 8.710) 40.094 1.531 ( 1.433 0.000 -2.315) 2.722 1.809 ( 5.380 0.000 -2.429) 5.903 2.034 ( -0.605 -0.000 0.731) 0.949 2.133 ( 1.106 0.000 2.220) 2.480 2.177 ( -0.940 -0.000 -7.460) 7.519 2.283 ( 0.372 0.000 2.095) 2.127 2.501 ( -2.731 -0.000 -2.685) 3.830 2.521 ( -2.288 -0.000 1.224) 2.595 2.763 ( -4.992 -0.000 0.305) 5.001 2.845 ( 1.841 0.000 3.476) 3.933 2.943 ( -2.106 -0.000 1.842) 2.798 3.134 ( 0.731 0.000 -0.221) 0.764 3.199 ( 2.641 0.000 -1.968) 3.293 3.304 ( 1.438 0.000 -2.232) 2.655 3.537 ( 2.133 0.000 7.414) 7.715 3.921 ( 1.443 0.000 -0.161) 1.452 3.946 ( -5.826 -0.000 0.479) 5.846 3.999 ( -1.075 -0.000 0.017) 1.075 4.269 ( 5.191 0.000 0.370) 5.204 4.655 ( -1.920 -0.000 0.064) 1.921 5.325 ( -4.334 -0.000 -0.637) 4.380 6.001 ( 6.151 0.000 -0.226) 6.155 6.878 ( 7.911 0.000 0.473) 7.925 7.454 ( 1.200 0.000 -0.546) 1.319 7.485 ( 0.405 0.000 0.714) 0.821 7.882 ( -2.642 -0.000 -0.526) 2.694 8.407 ( 3.239 0.000 -1.079) 3.414 8.464 ( 3.751 0.000 -4.700) 6.014 8.735 ( -2.633 -0.000 0.615) 2.704 9.028 ( -6.830 -0.000 2.757) 7.365 9.423 ( 1.776 0.000 -1.000) 2.039 9.769 ( -0.195 -0.000 0.375) 0.422 ======================= Grid point 371 (158/324) ======================= q-point: (-0.14 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -12.004 -11.158 6.013) 17.457 0.760 ( -8.203 -23.436 2.966) 25.006 1.273 ( 5.871 -16.538 -1.159) 17.588 1.324 ( -30.136 -13.802 5.828) 33.654 1.717 ( 0.461 -16.958 -1.116) 17.001 1.818 ( 4.886 0.136 -1.384) 5.080 2.017 ( -2.958 0.302 0.588) 3.031 2.140 ( 0.419 0.819 -6.775) 6.837 2.206 ( 0.679 -6.340 0.846) 6.432 2.314 ( -1.200 -2.483 -1.476) 3.128 2.484 ( -2.018 -1.367 -1.879) 3.077 2.578 ( -3.037 -2.494 4.069) 5.657 2.719 ( -3.463 2.017 -0.286) 4.018 2.855 ( -1.329 5.319 3.198) 6.347 2.913 ( -0.500 -5.979 0.692) 6.040 3.057 ( 2.151 5.165 -0.250) 5.601 3.256 ( -1.488 -4.172 -2.373) 5.025 3.426 ( 0.800 -3.755 -0.827) 3.928 3.495 ( 2.984 -3.401 2.980) 5.417 3.878 ( -5.478 2.797 0.816) 6.205 3.937 ( -0.212 0.725 -0.406) 0.858 4.001 ( 0.040 -0.937 0.349) 1.001 4.292 ( 5.207 0.343 0.346) 5.229 4.608 ( -1.993 3.101 0.134) 3.689 5.943 ( 17.775 -40.787 -6.216) 44.924 6.124 ( 5.012 -9.810 0.038) 11.016 6.937 ( 8.532 -2.035 2.562) 9.138 7.431 ( 1.214 0.402 -0.599) 1.412 7.595 ( 0.559 -8.572 1.535) 8.727 7.914 ( -1.396 -4.175 -0.511) 4.431 8.404 ( 1.221 1.542 -1.527) 2.490 8.484 ( 1.836 -1.534 -5.159) 5.687 8.677 ( -3.301 3.195 3.801) 5.963 8.940 ( -9.909 3.467 1.854) 10.660 9.415 ( 2.095 1.161 -0.774) 2.517 9.757 ( -0.342 1.071 0.236) 1.149 ======================= Grid point 372 (159/324) ======================= q-point: (-0.07 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -8.570 -17.966 4.205) 20.345 1.019 ( -11.323 -11.206 8.478) 18.046 1.389 ( -5.409 -2.444 0.407) 5.950 1.681 ( -2.758 -21.335 0.595) 21.521 1.865 ( 3.339 -3.661 -2.138) 5.396 2.041 ( -4.840 -6.937 -0.436) 8.470 2.072 ( -0.057 -16.830 0.717) 16.846 2.142 ( 2.068 -2.469 -5.048) 5.988 2.336 ( -3.291 -0.729 -2.415) 4.146 2.372 ( -0.680 -11.087 -0.118) 11.109 2.489 ( -3.720 -0.787 0.571) 3.845 2.594 ( -1.240 -2.021 1.493) 2.802 2.664 ( -1.496 2.473 -2.170) 3.614 2.790 ( 1.312 1.272 3.311) 3.782 2.961 ( -0.380 4.168 0.947) 4.291 3.060 ( 1.553 -5.258 0.629) 5.518 3.362 ( -2.111 -7.952 -1.346) 8.336 3.406 ( 0.938 -0.289 -1.180) 1.535 3.725 ( 3.944 -9.949 0.023) 10.702 3.781 ( -5.599 2.623 1.716) 6.417 3.906 ( 2.171 2.867 -1.168) 3.781 4.029 ( -2.888 -2.640 0.218) 3.919 4.308 ( 4.002 0.464 0.274) 4.038 4.525 ( -2.176 4.555 0.004) 5.048 6.359 ( 2.808 -12.841 0.714) 13.164 6.591 ( 12.041 -22.675 -7.407) 26.721 7.072 ( 8.623 -7.788 2.905) 11.977 7.455 ( 0.467 -2.557 -1.352) 2.930 7.790 ( 1.212 -10.869 2.297) 11.175 7.994 ( -0.535 -4.475 -0.413) 4.526 8.370 ( -2.924 0.024 -1.119) 3.131 8.533 ( -0.288 -4.611 -4.496) 6.446 8.670 ( 0.513 -1.973 4.994) 5.394 8.849 ( -8.284 1.863 0.795) 8.528 9.404 ( 2.268 1.121 -0.487) 2.577 9.728 ( -0.445 1.900 0.142) 1.956 ======================= Grid point 385 (160/324) ======================= q-point: (-0.14 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( -12.035 -0.000 6.334) 13.600 0.432 ( -9.231 -0.000 17.974) 20.206 0.938 ( 2.622 0.000 0.645) 2.701 1.055 ( -40.614 -0.000 13.594) 42.829 1.543 ( 1.953 0.000 -0.269) 1.972 1.857 ( 5.606 0.000 -1.254) 5.744 2.025 ( -1.957 -0.000 1.640) 2.554 2.123 ( -2.074 -0.000 -4.619) 5.064 2.157 ( 2.774 0.000 -7.960) 8.429 2.287 ( -0.629 -0.000 0.180) 0.654 2.491 ( 0.408 0.000 3.180) 3.206 2.503 ( -2.624 -0.000 1.731) 3.143 2.720 ( -3.825 -0.000 -0.140) 3.828 2.864 ( -0.051 -0.000 0.669) 0.671 2.921 ( -3.944 -0.000 0.349) 3.960 3.140 ( 0.645 0.000 -0.048) 0.647 3.228 ( 6.408 0.000 -0.884) 6.468 3.317 ( 2.580 0.000 -1.933) 3.224 3.596 ( 2.534 0.000 9.187) 9.530 3.881 ( -5.640 -0.000 1.549) 5.849 3.934 ( 1.238 0.000 -0.081) 1.240 4.006 ( 1.211 0.000 0.462) 1.297 4.326 ( 5.393 0.000 1.296) 5.547 4.634 ( -2.248 -0.000 0.124) 2.251 5.286 ( -2.974 -0.000 -0.592) 3.033 6.054 ( 4.587 0.000 -0.070) 4.587 6.984 ( 11.817 0.000 7.735) 14.123 7.464 ( 0.995 0.000 0.162) 1.008 7.492 ( 0.402 0.000 0.715) 0.820 7.855 ( -2.231 -0.000 -0.516) 2.290 8.426 ( 2.157 0.000 -1.478) 2.615 8.486 ( 4.335 0.000 -5.810) 7.249 8.729 ( 0.147 0.000 2.044) 2.049 8.950 ( -10.714 -0.000 0.304) 10.719 9.436 ( 1.555 0.000 -1.103) 1.907 9.766 ( -0.447 -0.000 0.133) 0.467 ======================= Grid point 386 (161/324) ======================= q-point: (-0.07 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -7.343 -12.090 9.445) 17.009 0.719 ( -9.407 -17.995 12.630) 23.912 1.051 ( -24.276 -20.632 12.832) 34.347 1.353 ( 8.493 -17.770 -6.017) 20.594 1.724 ( 1.305 -16.182 -0.296) 16.238 1.864 ( 5.084 0.269 -0.624) 5.129 1.987 ( -3.492 1.262 1.420) 3.975 2.121 ( 1.164 -0.176 -7.836) 7.924 2.190 ( -1.299 -6.239 -5.607) 8.488 2.299 ( -1.272 -1.650 -0.393) 2.120 2.471 ( -0.556 -0.451 1.277) 1.464 2.570 ( -2.232 -1.443 4.929) 5.600 2.688 ( -2.598 1.301 -0.152) 2.909 2.849 ( -1.433 2.835 1.737) 3.620 2.901 ( -2.262 -4.887 1.097) 5.495 3.081 ( 1.894 3.358 -0.089) 3.856 3.241 ( 0.758 -0.290 -1.396) 1.615 3.429 ( 0.621 -2.220 -0.655) 2.397 3.523 ( 1.019 -6.325 0.684) 6.443 3.830 ( -4.504 3.332 2.127) 5.993 3.944 ( 1.280 0.159 -0.255) 1.315 4.002 ( -0.085 0.340 0.166) 0.388 4.343 ( 4.390 0.784 1.102) 4.593 4.587 ( -2.072 3.063 -0.260) 3.708 6.094 ( 18.804 -37.735 -15.776) 45.015 6.169 ( 4.509 -11.546 -1.102) 12.444 7.056 ( 11.581 0.189 8.187) 14.184 7.440 ( 1.094 0.757 -0.640) 1.476 7.612 ( 1.331 -9.102 3.190) 9.736 7.903 ( -0.171 -4.945 -0.673) 4.994 8.397 ( -2.343 4.586 -1.270) 5.305 8.467 ( -0.927 -0.972 -4.636) 4.827 8.678 ( -0.364 1.984 5.084) 5.469 8.841 ( -10.267 2.014 0.714) 10.487 9.432 ( 1.718 0.829 -0.524) 1.978 9.754 ( -0.434 1.063 0.073) 1.150 ======================= Grid point 400 (162/324) ======================= q-point: (-0.07 -0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( -0.953 -0.000 17.357) 17.383 0.483 ( -3.489 -0.000 25.474) 25.711 0.758 ( -28.973 -0.000 24.943) 38.231 0.958 ( 0.952 0.000 0.164) 0.966 1.567 ( 2.264 0.000 1.573) 2.756 1.910 ( 5.657 0.000 0.024) 5.657 2.011 ( -1.813 -0.000 0.524) 1.887 2.063 ( -3.945 -0.000 -9.374) 10.170 2.154 ( 2.383 0.000 -8.663) 8.985 2.273 ( -1.491 -0.000 -1.489) 2.107 2.486 ( -2.275 -0.000 3.291) 4.001 2.528 ( 2.574 0.000 6.801) 7.272 2.685 ( -3.021 -0.000 -0.402) 3.048 2.828 ( -5.648 -0.000 -2.964) 6.379 2.890 ( -2.448 -0.000 1.929) 3.117 3.146 ( 0.425 0.000 0.065) 0.430 3.310 ( 5.388 0.000 -3.412) 6.378 3.347 ( 9.301 0.000 -3.122) 9.811 3.625 ( -3.700 -0.000 2.406) 4.414 3.890 ( 5.694 0.000 3.255) 6.559 3.944 ( 0.790 0.000 0.025) 0.790 4.024 ( 1.715 0.000 1.672) 2.395 4.384 ( 4.796 0.000 2.037) 5.211 4.613 ( -1.818 -0.000 0.116) 1.822 5.262 ( -1.422 -0.000 -0.592) 1.540 6.089 ( 2.574 0.000 0.122) 2.577 7.227 ( 30.034 0.000 14.757) 33.464 7.475 ( 1.092 0.000 1.066) 1.526 7.498 ( 0.127 0.000 0.707) 0.718 7.836 ( -1.191 -0.000 -0.511) 1.296 8.440 ( 1.401 0.000 -1.801) 2.282 8.476 ( -4.012 -0.000 -7.567) 8.565 8.744 ( -0.166 -0.000 1.543) 1.552 8.815 ( -13.622 -0.000 -1.242) 13.678 9.447 ( 1.406 0.000 -0.363) 1.452 9.762 ( -0.364 -0.000 0.023) 0.365 ======================= Grid point 401 (163/324) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 6.774 0.000 12.888) 14.559 0.853 ( -9.071 -0.000 16.171) 18.541 0.976 ( -0.682 -0.000 4.178) 4.233 1.509 ( 4.716 0.000 27.104) 27.511 1.670 ( 0.994 0.000 0.725) 1.230 1.705 ( -3.159 -0.000 -10.636) 11.096 1.852 ( 8.688 0.000 -9.328) 12.747 1.978 ( -2.066 -0.000 -1.919) 2.820 2.135 ( 1.619 0.000 5.265) 5.508 2.180 ( -2.385 -0.000 -3.167) 3.964 2.604 ( 3.979 0.000 4.451) 5.970 2.624 ( -3.098 -0.000 -1.690) 3.529 2.733 ( 2.376 0.000 5.252) 5.764 2.777 ( -0.504 -0.000 0.098) 0.514 2.874 ( -6.477 -0.000 -0.296) 6.484 3.145 ( -3.480 -0.000 -7.673) 8.425 3.147 ( -0.053 -0.000 -0.259) 0.264 3.245 ( 8.122 0.000 -10.420) 13.212 3.554 ( -3.882 -0.000 0.432) 3.906 3.905 ( 0.217 0.000 -0.617) 0.655 3.952 ( 0.171 0.000 0.128) 0.214 4.051 ( -1.588 -0.000 0.630) 1.708 4.452 ( 1.033 0.000 1.074) 1.490 4.603 ( -0.350 -0.000 -0.096) 0.363 5.240 ( 0.263 0.000 -0.591) 0.647 6.111 ( 0.263 0.000 0.267) 0.375 7.464 ( 1.113 0.000 -0.119) 1.119 7.516 ( -0.416 -0.000 0.720) 0.831 7.604 ( 6.518 0.000 0.348) 6.527 7.817 ( 0.330 0.000 -0.535) 0.628 8.303 ( -5.524 -0.000 0.106) 5.525 8.442 ( 0.950 0.000 -0.555) 1.100 8.743 ( 1.270 0.000 0.996) 1.614 8.801 ( -1.507 -0.000 1.211) 1.933 9.454 ( 0.810 0.000 -0.339) 0.878 9.761 ( -0.056 -0.000 0.022) 0.060 ======================= Grid point 402 (164/324) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 1.589 -3.310 13.961) 14.436 0.957 ( 2.584 -5.526 11.311) 12.851 1.233 ( -4.071 -13.634 1.549) 14.313 1.513 ( 2.726 -5.742 1.746) 6.592 1.807 ( 0.559 -11.393 0.271) 11.410 1.875 ( 3.619 -5.435 -7.307) 9.800 1.927 ( 7.465 -12.176 7.960) 16.351 1.948 ( 0.072 0.310 -2.068) 2.093 2.090 ( 0.172 1.728 -2.128) 2.746 2.256 ( -0.511 -5.872 1.980) 6.218 2.577 ( -3.510 2.127 1.450) 4.353 2.642 ( 4.352 1.275 1.865) 4.904 2.660 ( 0.330 2.647 1.272) 2.955 2.822 ( -4.651 0.982 -1.750) 5.065 2.959 ( 3.124 -7.658 2.859) 8.751 2.974 ( -5.112 2.438 -3.468) 6.641 3.226 ( 6.212 0.904 -6.279) 8.879 3.358 ( -1.561 -13.128 -2.939) 13.543 3.506 ( 0.925 1.467 0.449) 1.792 3.840 ( -1.082 4.990 1.003) 5.203 3.984 ( -0.122 -2.198 0.331) 2.226 4.007 ( -0.338 2.988 0.940) 3.151 4.430 ( -1.893 2.038 0.950) 2.940 4.538 ( 1.046 4.200 -0.442) 4.350 5.719 ( -1.492 -36.755 -8.360) 37.723 6.202 ( -1.009 -9.411 0.403) 9.473 7.348 ( -1.755 7.818 1.342) 8.124 7.435 ( 0.201 2.188 -0.373) 2.229 7.771 ( -1.556 -8.737 2.029) 9.104 7.902 ( 2.046 -6.342 -1.258) 6.782 8.290 ( -1.660 -0.876 0.838) 2.055 8.415 ( 0.437 1.941 -1.294) 2.373 8.750 ( 4.059 1.072 0.535) 4.232 8.802 ( -1.229 -1.003 2.078) 2.614 9.445 ( -0.044 0.996 -0.351) 1.057 9.749 ( 0.006 1.190 0.019) 1.190 ======================= Grid point 403 (165/324) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 2.837 -4.480 7.813) 9.442 1.100 ( 2.410 -7.297 11.895) 14.162 1.279 ( -3.030 -0.504 -3.058) 4.335 1.775 ( 1.433 -11.638 -1.330) 11.801 1.868 ( 0.479 -0.261 -0.084) 0.552 1.962 ( 7.440 -2.446 -8.021) 11.211 2.079 ( 0.645 -2.523 -5.475) 6.063 2.118 ( -0.582 -14.211 -1.111) 14.266 2.288 ( 6.176 -15.463 8.730) 18.801 2.378 ( -1.086 -6.971 1.840) 7.291 2.529 ( -0.515 1.153 4.545) 4.717 2.573 ( -1.185 2.055 -0.005) 2.372 2.699 ( 1.498 -1.535 -1.302) 2.509 2.801 ( -0.608 -1.341 0.583) 1.584 2.911 ( -1.195 -2.413 -3.292) 4.253 3.151 ( 2.136 -6.662 2.297) 7.364 3.311 ( 3.555 -7.673 -2.628) 8.856 3.458 ( 2.166 0.705 -1.625) 2.798 3.624 ( -3.277 -10.943 -0.923) 11.460 3.736 ( 0.345 5.437 1.036) 5.546 3.945 ( -1.381 2.260 0.085) 2.650 4.030 ( 1.002 -2.041 0.564) 2.343 4.374 ( -3.454 2.368 0.333) 4.201 4.466 ( 2.203 4.429 -0.379) 4.961 6.324 ( -3.028 -29.533 -6.179) 30.324 6.423 ( -1.633 -14.419 0.343) 14.515 7.274 ( -5.700 -1.328 1.558) 6.057 7.424 ( 1.546 -1.448 -0.901) 2.302 7.911 ( -3.702 -7.199 1.637) 8.259 8.004 ( 1.697 -3.831 -0.092) 4.191 8.330 ( 2.601 -2.791 0.259) 3.824 8.413 ( -0.966 -3.233 -2.423) 4.154 8.753 ( 5.655 1.187 0.645) 5.814 8.835 ( -1.329 -2.566 2.082) 3.562 9.421 ( -0.770 1.151 -0.340) 1.426 9.719 ( 0.124 2.029 0.024) 2.033 ======================= Grid point 404 (166/324) ======================= q-point: ( 0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -4.846 2.058 0.037) 5.265 1.293 ( 1.913 -8.419 10.900) 13.905 1.367 ( 4.240 -10.079 -0.821) 10.965 1.851 ( 0.389 0.961 -1.014) 1.450 1.912 ( 1.558 -3.114 0.665) 3.545 2.063 ( 8.930 -4.692 -8.170) 12.981 2.125 ( 3.238 -1.515 -3.085) 4.722 2.258 ( -2.111 -1.799 -1.506) 3.156 2.447 ( -0.467 -2.223 -1.007) 2.485 2.483 ( -1.674 -4.116 2.018) 4.880 2.606 ( -0.156 -6.032 1.148) 6.142 2.682 ( 3.476 -9.241 4.490) 10.846 2.721 ( -0.584 -2.839 -2.607) 3.899 2.905 ( 1.460 -10.269 3.136) 10.835 3.004 ( 1.452 -5.632 -0.699) 5.858 3.263 ( 1.786 -3.726 1.761) 4.491 3.423 ( -2.268 -0.712 -0.448) 2.419 3.475 ( 3.680 -3.200 -2.585) 5.519 3.647 ( 2.961 1.725 1.115) 3.604 3.727 ( -1.005 0.022 -0.671) 1.209 3.947 ( -5.457 -3.053 0.575) 6.280 4.092 ( 2.937 -4.098 -0.630) 5.081 4.319 ( -2.640 1.586 0.068) 3.080 4.396 ( 2.373 4.061 -0.069) 4.704 6.646 ( -2.331 -12.492 1.613) 12.809 6.820 ( -2.263 -23.860 -3.646) 24.242 7.322 ( -8.085 -6.655 0.876) 10.508 7.499 ( 1.488 -5.001 -1.176) 5.349 8.003 ( -2.111 -5.115 -0.127) 5.535 8.108 ( 1.221 -7.100 0.518) 7.223 8.399 ( 2.234 -3.384 -0.131) 4.057 8.522 ( 0.074 -8.097 -1.866) 8.310 8.765 ( 6.414 0.798 0.711) 6.502 8.888 ( -2.044 -3.491 1.569) 4.339 9.398 ( -1.234 0.645 -0.301) 1.425 9.676 ( 0.287 2.649 0.076) 2.666 ======================= Grid point 405 (167/324) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -7.169 0.016 -0.212) 7.172 1.487 ( 1.768 -9.608 5.281) 11.105 1.601 ( 2.233 -11.361 1.391) 11.661 1.792 ( 2.888 5.572 -0.455) 6.292 1.985 ( 2.422 -3.300 0.813) 4.174 2.129 ( 9.992 1.966 -1.092) 10.242 2.188 ( 4.601 -4.218 -5.737) 8.478 2.280 ( -3.745 -4.762 -2.655) 6.614 2.460 ( -0.554 -0.592 0.151) 0.825 2.539 ( -0.941 -2.144 1.480) 2.770 2.730 ( 1.917 -5.601 -0.129) 5.922 2.741 ( -0.826 -2.541 -1.200) 2.929 2.850 ( -2.108 -5.589 -0.212) 5.977 3.071 ( 1.230 -1.202 -0.808) 1.900 3.149 ( 2.997 -10.526 3.263) 11.420 3.289 ( -2.364 1.333 1.912) 3.320 3.406 ( -1.421 0.153 -0.239) 1.449 3.492 ( 4.368 1.804 -1.365) 4.919 3.706 ( 2.699 -4.233 0.144) 5.022 3.745 ( 1.679 -3.107 -0.971) 3.663 3.959 ( -4.927 -1.404 1.581) 5.361 4.154 ( 0.863 -0.017 -0.695) 1.109 4.300 ( -0.372 0.501 0.180) 0.650 4.356 ( 1.999 0.186 -0.043) 2.008 6.849 ( -1.727 -10.087 1.938) 10.416 7.191 ( -3.730 -17.770 -1.704) 18.237 7.435 ( -4.379 -7.907 -0.058) 9.039 7.577 ( -2.755 -3.934 -0.670) 4.850 8.128 ( 1.649 -8.630 -0.624) 8.808 8.275 ( 1.651 -9.690 0.113) 9.830 8.484 ( 1.294 -4.839 -0.293) 5.017 8.669 ( 0.270 -7.235 -1.230) 7.344 8.789 ( 5.557 0.081 0.745) 5.607 8.944 ( -2.567 -3.296 1.135) 4.329 9.388 ( -1.460 -0.452 -0.234) 1.546 9.625 ( 0.544 3.067 0.163) 3.119 ======================= Grid point 406 (168/324) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -7.467 -6.047 0.573) 9.625 1.627 ( 2.545 6.297 0.259) 6.797 1.682 ( 0.297 -6.279 2.929) 6.935 1.837 ( 3.326 -8.098 0.269) 8.758 2.051 ( 2.137 -2.292 0.409) 3.160 2.150 ( 7.441 -0.374 0.060) 7.450 2.265 ( 2.699 -3.723 -3.110) 5.552 2.358 ( -1.984 -3.137 -1.683) 4.076 2.507 ( 3.760 -4.605 0.252) 5.950 2.569 ( -0.861 -1.547 0.720) 1.911 2.773 ( 0.085 -1.659 -1.127) 2.008 2.825 ( -0.977 -1.270 -0.777) 1.781 2.881 ( -4.433 -2.770 1.061) 5.334 3.077 ( 1.375 1.141 -2.085) 2.745 3.202 ( -1.118 4.692 2.548) 5.455 3.297 ( 2.566 -2.983 0.883) 4.033 3.416 ( -0.336 0.799 -0.684) 1.104 3.519 ( 1.060 -4.945 -0.970) 5.149 3.774 ( 2.726 -0.741 -0.216) 2.833 3.820 ( 0.760 -3.638 -0.846) 3.812 3.981 ( -2.200 -2.567 2.041) 3.949 4.124 ( 0.728 2.242 0.080) 2.358 4.270 ( -0.379 1.970 0.215) 2.018 4.398 ( 1.491 -2.191 0.021) 2.650 7.016 ( -0.812 -8.255 1.719) 8.471 7.425 ( -7.116 -8.908 -0.573) 11.416 7.498 ( -1.578 -1.960 -0.489) 2.563 7.688 ( -0.944 -8.940 0.268) 8.994 8.318 ( 3.144 -10.090 -1.110) 10.626 8.464 ( 4.022 -8.262 0.032) 9.189 8.587 ( -0.783 -5.823 -0.237) 5.880 8.775 ( 0.102 -4.186 -1.147) 4.341 8.816 ( 3.258 -0.258 0.624) 3.327 8.986 ( -2.733 -2.267 1.226) 3.757 9.401 ( -1.613 -1.759 -0.172) 2.393 9.570 ( 1.013 3.181 0.265) 3.349 ======================= Grid point 407 (169/324) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -6.835 -9.511 0.517) 11.723 1.476 ( 4.790 9.616 1.300) 10.822 1.808 ( -0.382 -5.316 -0.389) 5.344 1.960 ( 1.619 -3.523 -0.710) 3.942 2.092 ( 1.158 -1.189 0.469) 1.725 2.216 ( 4.369 -2.631 -0.287) 5.108 2.352 ( 1.493 -3.388 0.001) 3.702 2.373 ( -0.821 -2.194 -0.216) 2.352 2.582 ( 2.082 -0.367 0.928) 2.309 2.635 ( 1.068 -4.438 -0.727) 4.622 2.758 ( -5.328 3.547 1.104) 6.495 2.813 ( 1.988 -2.474 -0.220) 3.181 2.954 ( -0.288 -3.512 0.653) 3.584 3.008 ( -0.656 4.247 -3.820) 5.750 3.172 ( 0.452 -0.591 3.430) 3.510 3.333 ( -1.086 0.131 -1.027) 1.500 3.368 ( 2.295 2.870 -0.515) 3.711 3.620 ( -1.743 -4.696 -1.947) 5.374 3.760 ( 2.089 2.640 -0.115) 3.369 3.870 ( 1.425 -1.148 -0.037) 1.830 4.027 ( -0.958 -2.426 1.496) 3.007 4.104 ( 0.268 0.535 0.767) 0.973 4.235 ( -0.349 1.316 0.330) 1.401 4.433 ( 0.732 -0.924 0.062) 1.180 7.158 ( 0.782 -6.747 1.208) 6.899 7.396 ( -4.799 3.631 -0.506) 6.039 7.608 ( -3.058 -6.751 1.125) 7.496 7.828 ( 1.222 -5.039 -0.242) 5.191 8.512 ( 3.272 -8.751 -1.227) 9.423 8.605 ( 5.329 -4.219 -0.171) 6.799 8.673 ( -2.905 -3.797 -0.114) 4.782 8.804 ( -1.805 0.587 -1.187) 2.239 8.842 ( 2.333 -1.135 0.381) 2.622 9.007 ( -2.222 -1.099 1.508) 2.902 9.434 ( -1.866 -2.635 -0.104) 3.230 9.519 ( 1.600 2.988 0.352) 3.408 ======================= Grid point 408 (170/324) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.118 0.030 -0.069) 0.140 1.386 ( -0.403 -1.970 1.244) 2.365 1.869 ( -0.811 -1.822 -1.659) 2.594 1.997 ( 0.772 -0.463 -1.392) 1.657 2.108 ( 0.593 0.205 0.544) 0.830 2.251 ( -0.330 -0.027 -1.086) 1.136 2.356 ( -0.703 -0.068 -0.472) 0.850 2.485 ( 2.094 -4.219 1.608) 4.977 2.594 ( 0.567 -0.129 -0.476) 0.752 2.649 ( -3.392 1.861 -0.883) 3.969 2.688 ( 0.446 1.028 4.474) 4.612 2.865 ( 1.333 -0.222 -0.741) 1.541 2.941 ( 0.434 1.512 -1.586) 2.233 2.992 ( -0.069 0.501 -1.037) 1.154 3.205 ( -4.129 -2.737 2.567) 5.579 3.296 ( 1.226 0.105 -0.878) 1.512 3.362 ( 3.896 0.870 -1.862) 4.405 3.627 ( -1.364 2.782 -0.726) 3.183 3.745 ( -0.507 -1.150 -0.508) 1.356 3.877 ( 1.925 1.439 0.430) 2.442 4.049 ( -1.363 0.810 1.765) 2.373 4.101 ( -0.470 -0.996 0.451) 1.190 4.228 ( 0.026 -0.572 0.242) 0.621 4.444 ( -0.019 -0.138 0.019) 0.141 7.250 ( -1.247 1.259 1.181) 2.129 7.323 ( 0.892 -1.300 -0.373) 1.620 7.678 ( -0.298 -1.105 1.045) 1.550 7.877 ( 0.131 0.076 -0.436) 0.462 8.622 ( -1.060 0.294 -0.606) 1.256 8.672 ( 2.627 -0.635 -1.101) 2.919 8.696 ( 0.198 -1.060 -0.607) 1.237 8.766 ( -1.268 1.091 -0.547) 1.760 8.861 ( 0.118 -0.156 0.324) 0.379 9.014 ( -0.270 0.014 1.508) 1.532 9.464 ( 0.445 0.973 -0.076) 1.073 9.488 ( -0.574 -1.061 0.366) 1.261 ======================= Grid point 409 (171/324) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 6.040 6.558 -0.364) 8.923 1.521 ( -5.344 -10.763 -0.044) 12.016 1.863 ( -1.580 1.491 -1.435) 2.603 1.979 ( -1.510 2.298 -0.781) 2.858 2.090 ( 1.314 2.352 -0.057) 2.695 2.216 ( -4.027 2.286 -1.393) 4.836 2.360 ( -0.797 -0.820 -0.417) 1.217 2.462 ( -1.008 4.521 -2.347) 5.193 2.581 ( 0.860 2.021 -1.006) 2.416 2.636 ( -2.486 0.035 0.235) 2.498 2.720 ( 3.057 -1.221 6.662) 7.431 2.835 ( 0.016 3.576 -0.581) 3.623 2.896 ( -2.343 1.797 -2.406) 3.809 2.952 ( 0.318 1.471 -0.239) 1.524 3.260 ( -2.320 -4.008 1.332) 4.819 3.329 ( 5.741 0.588 -1.604) 5.989 3.365 ( -0.330 -1.362 -0.810) 1.619 3.544 ( -0.162 4.950 0.817) 5.020 3.767 ( -2.651 -1.719 -0.540) 3.206 3.835 ( 1.782 4.131 1.182) 4.651 4.006 ( -1.638 2.216 1.450) 3.115 4.134 ( -0.362 -2.007 0.243) 2.054 4.249 ( -0.193 -1.554 -0.057) 1.567 4.438 ( -0.765 0.700 -0.066) 1.039 7.144 ( -1.666 6.765 1.517) 7.130 7.411 ( 4.965 -3.606 -0.827) 6.192 7.644 ( 2.724 5.603 0.233) 6.235 7.830 ( -1.297 4.364 -0.363) 4.567 8.517 ( -3.231 7.711 -1.448) 8.485 8.611 ( -4.139 5.106 -0.236) 6.577 8.682 ( 2.645 4.151 -0.271) 4.929 8.790 ( 2.031 -1.271 -1.051) 2.617 8.851 ( -2.445 0.566 0.254) 2.523 9.007 ( 1.662 1.554 1.523) 2.738 9.426 ( 1.737 2.692 0.110) 3.206 9.530 ( -1.696 -3.099 0.067) 3.534 ======================= Grid point 410 (172/324) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 5.882 2.814 -1.717) 6.743 1.681 ( -5.369 -7.336 -1.353) 9.191 1.792 ( -5.335 3.384 1.830) 6.577 1.884 ( -0.049 7.299 -1.528) 7.457 2.019 ( -0.354 5.550 -0.773) 5.615 2.145 ( -6.741 0.982 -1.031) 6.889 2.359 ( -3.144 2.938 -1.727) 4.637 2.385 ( 1.756 0.346 -4.735) 5.062 2.506 ( -0.805 5.389 -0.684) 5.491 2.602 ( -3.037 0.602 -0.864) 3.214 2.709 ( 2.193 5.186 2.967) 6.365 2.783 ( 2.347 1.810 0.521) 3.009 2.862 ( -1.395 1.584 1.559) 2.624 2.973 ( 1.844 -1.924 0.537) 2.719 3.287 ( 2.042 5.045 -0.068) 5.443 3.305 ( 0.549 1.083 0.700) 1.402 3.365 ( -0.993 1.586 1.489) 2.391 3.487 ( -2.054 -0.549 -0.742) 2.252 3.759 ( 1.611 4.249 0.971) 4.647 3.776 ( -2.538 -0.505 -0.261) 2.600 3.975 ( 0.132 1.049 1.543) 1.871 4.166 ( -0.706 -1.689 -0.646) 1.941 4.282 ( -0.345 -1.986 -0.155) 2.021 4.407 ( -1.532 1.962 -0.197) 2.497 7.003 ( -0.186 8.336 1.997) 8.574 7.447 ( 6.964 7.001 -1.296) 9.959 7.530 ( 1.832 3.542 -1.079) 4.131 7.706 ( 0.630 8.494 -0.324) 8.523 8.335 ( -2.879 9.179 -1.819) 9.790 8.458 ( -4.101 8.973 0.420) 9.875 8.589 ( 1.314 6.281 -0.247) 6.421 8.773 ( -0.284 3.075 -1.202) 3.314 8.834 ( -2.987 -0.066 -0.043) 2.988 8.973 ( 2.049 3.514 1.800) 4.448 9.391 ( 1.768 1.844 0.087) 2.556 9.582 ( -1.244 -3.206 -0.050) 3.439 ======================= Grid point 411 (173/324) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 4.636 -1.238 -3.285) 5.815 1.566 ( -7.468 11.358 2.742) 13.867 1.682 ( -7.984 10.471 0.641) 13.183 1.850 ( -0.044 -4.608 -0.174) 4.611 1.918 ( 0.106 4.119 -2.538) 4.839 2.117 ( -7.380 -1.815 -1.731) 7.794 2.233 ( -3.125 6.927 -3.330) 8.297 2.380 ( 1.058 1.262 -7.605) 7.782 2.458 ( 0.122 -1.035 0.744) 1.280 2.570 ( 0.150 3.125 0.087) 3.129 2.615 ( 1.005 5.861 3.005) 6.663 2.727 ( 1.001 5.121 -0.195) 5.222 2.833 ( -1.107 2.216 0.429) 2.514 2.961 ( 1.178 5.850 3.022) 6.689 3.158 ( 2.936 8.810 4.713) 10.414 3.218 ( -0.282 5.549 2.495) 6.091 3.387 ( 0.058 -2.114 -0.185) 2.123 3.499 ( -3.668 -1.543 -1.265) 4.176 3.716 ( -0.690 1.066 -0.617) 1.412 3.760 ( -1.642 0.406 -0.964) 1.947 3.969 ( 2.955 0.903 1.402) 3.393 4.172 ( -1.123 1.435 -1.178) 2.169 4.306 ( 0.118 -0.054 0.022) 0.132 4.372 ( -2.242 -0.911 -0.475) 2.466 6.837 ( 0.661 10.076 2.219) 10.339 7.217 ( 4.500 17.192 -2.334) 17.924 7.501 ( 4.078 6.329 -2.423) 7.909 7.548 ( 2.556 6.502 0.485) 7.003 8.158 ( -1.941 7.742 -1.753) 8.172 8.254 ( -1.923 10.669 1.042) 10.890 8.478 ( -0.187 5.493 -0.119) 5.497 8.684 ( -0.843 5.775 -1.874) 6.130 8.812 ( -5.509 0.036 -0.143) 5.511 8.909 ( 2.327 4.568 2.583) 5.741 9.379 ( 1.910 0.449 0.021) 1.962 9.635 ( -0.883 -3.017 -0.116) 3.146 ======================= Grid point 412 (174/324) ======================= q-point: (-0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.589 4.266 -1.782) 4.661 1.320 ( -1.048 10.778 1.925) 10.999 1.452 ( -17.273 6.039 6.837) 19.534 1.855 ( 3.581 3.011 -4.317) 6.366 1.885 ( 0.667 1.696 -0.977) 2.068 2.082 ( -3.556 6.110 -4.207) 8.226 2.131 ( -3.365 -2.002 -2.996) 4.930 2.306 ( 0.090 7.121 -3.001) 7.728 2.450 ( -1.395 8.040 0.622) 8.184 2.498 ( 2.978 9.243 4.576) 10.735 2.524 ( -0.784 -2.900 -0.072) 3.005 2.588 ( -0.515 7.136 -1.144) 7.246 2.758 ( 0.156 7.562 0.661) 7.593 2.834 ( -0.491 3.194 3.285) 4.608 3.051 ( 1.560 4.973 3.294) 6.166 3.147 ( -0.803 2.832 2.467) 3.841 3.408 ( 3.405 0.518 -0.047) 3.445 3.467 ( -3.495 4.886 -1.393) 6.167 3.689 ( -4.378 -1.859 0.053) 4.757 3.783 ( -0.597 -2.484 -2.642) 3.674 3.958 ( 6.094 4.067 0.711) 7.361 4.077 ( -3.844 5.159 -0.447) 6.449 4.317 ( 2.414 -1.057 0.176) 2.641 4.417 ( -2.676 -4.306 -0.671) 5.114 6.640 ( 1.205 12.092 1.948) 12.307 6.865 ( 3.583 21.944 -5.218) 22.838 7.345 ( 8.297 10.345 0.604) 13.275 7.475 ( -1.326 3.491 -1.035) 3.875 8.023 ( 1.915 6.972 -0.514) 7.248 8.077 ( -1.947 6.848 1.370) 7.250 8.388 ( -0.729 3.817 0.126) 3.888 8.552 ( -0.302 7.075 -2.972) 7.679 8.783 ( -7.440 -0.390 0.329) 7.458 8.849 ( 2.420 3.530 2.983) 5.217 9.390 ( 1.842 -0.627 -0.089) 1.948 9.683 ( -0.669 -2.579 -0.124) 2.667 ======================= Grid point 413 (175/324) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -0.046 10.496 6.894) 12.558 1.130 ( -12.106 8.345 8.443) 16.955 1.383 ( -6.231 -1.094 1.674) 6.544 1.746 ( 1.063 15.462 1.238) 15.548 1.822 ( 6.974 2.210 -5.686) 9.266 1.962 ( -2.626 3.224 -2.585) 4.896 2.092 ( 0.640 14.054 5.829) 15.228 2.120 ( -0.283 2.093 -5.247) 5.656 2.179 ( -0.983 16.054 -0.047) 16.084 2.369 ( -0.324 6.573 1.898) 6.850 2.523 ( -1.538 -0.773 3.012) 3.469 2.606 ( -0.836 -4.428 -0.862) 4.587 2.642 ( 1.834 3.952 0.899) 4.448 2.835 ( -1.233 -1.939 0.179) 2.304 2.983 ( -1.776 2.577 -1.836) 3.629 3.106 ( 0.372 2.113 2.788) 3.518 3.279 ( -0.784 11.138 -2.081) 11.358 3.424 ( 1.827 -0.834 0.220) 2.020 3.690 ( -1.013 11.521 -3.054) 11.962 3.758 ( -2.734 -5.103 0.066) 5.789 3.934 ( 2.553 -1.851 0.854) 3.267 4.017 ( -1.183 1.306 0.659) 1.881 4.363 ( 3.526 -2.003 0.764) 4.126 4.485 ( -2.777 -4.410 -0.954) 5.298 6.392 ( 1.968 23.806 -5.591) 24.533 6.419 ( 2.736 18.163 -2.917) 18.598 7.246 ( 7.004 3.673 2.823) 8.398 7.421 ( -0.595 0.899 -0.945) 1.434 7.893 ( 3.424 8.628 2.990) 9.752 7.981 ( -0.616 4.146 -0.117) 4.193 8.336 ( -1.745 0.959 0.318) 2.016 8.434 ( 0.735 4.256 -3.396) 5.494 8.757 ( -5.937 -0.394 1.121) 6.055 8.815 ( 0.391 1.484 2.327) 2.787 9.415 ( 1.521 -1.055 -0.154) 1.857 9.723 ( -0.479 -1.962 -0.092) 2.021 ======================= Grid point 414 (176/324) ======================= q-point: (-0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 3.052 3.929 13.130) 14.041 0.951 ( -12.070 6.299 13.348) 19.066 1.264 ( -1.784 18.037 -0.654) 18.136 1.458 ( 1.687 7.279 12.973) 14.971 1.800 ( 4.317 12.744 3.416) 13.882 1.819 ( 4.939 2.863 -6.173) 8.409 1.901 ( -1.976 10.174 -3.819) 11.045 1.971 ( -1.960 -0.583 -1.994) 2.856 2.093 ( 0.391 -0.468 -0.177) 0.635 2.259 ( -1.190 5.082 0.436) 5.238 2.568 ( 2.750 -1.561 4.343) 5.372 2.616 ( -0.025 -0.760 -1.001) 1.257 2.667 ( -2.249 -2.939 0.940) 3.819 2.875 ( -4.458 -1.532 -1.125) 4.847 2.920 ( 2.409 6.262 2.858) 7.293 3.041 ( -5.736 -0.757 -2.190) 6.187 3.184 ( 6.772 -1.282 -6.092) 9.198 3.381 ( -0.661 11.641 -3.144) 12.076 3.510 ( -1.785 -1.719 0.128) 2.481 3.847 ( -0.953 -4.620 0.731) 4.774 3.976 ( 1.285 1.405 0.826) 2.076 4.009 ( -0.648 -2.775 0.802) 2.961 4.420 ( 2.825 -1.810 1.309) 3.602 4.547 ( -2.040 -3.851 -0.751) 4.423 5.762 ( 0.972 38.025 -10.820) 39.546 6.199 ( 1.353 9.409 0.492) 9.518 7.317 ( 6.337 -7.287 2.737) 10.037 7.435 ( 0.115 -2.205 -0.331) 2.232 7.747 ( 3.931 9.784 3.111) 10.993 7.888 ( 0.984 5.727 -0.804) 5.866 8.327 ( -4.623 -0.566 -0.336) 4.669 8.407 ( 1.929 -1.394 -1.418) 2.771 8.744 ( -3.482 -0.367 1.028) 3.649 8.803 ( -0.879 0.167 1.813) 2.022 9.440 ( 1.172 -0.868 -0.171) 1.468 9.750 ( -0.245 -1.142 -0.021) 1.168 ======================= Grid point 416 (177/324) ======================= q-point: ( 0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 4.711 0.000 15.669) 16.362 0.899 ( 1.032 0.000 1.744) 2.027 1.020 ( 4.293 0.000 12.664) 13.372 1.602 ( -3.480 -0.000 -11.639) 12.148 1.645 ( 4.478 0.000 16.913) 17.495 1.715 ( 1.800 0.000 1.648) 2.440 1.928 ( 9.978 0.000 -4.094) 10.785 1.958 ( 2.124 0.000 -2.874) 3.573 2.147 ( -1.868 -0.000 -2.027) 2.756 2.170 ( 1.701 0.000 4.068) 4.409 2.570 ( -5.722 -0.000 -0.147) 5.724 2.668 ( 3.958 0.000 2.112) 4.486 2.771 ( 1.803 0.000 3.414) 3.861 2.787 ( 1.985 0.000 -0.149) 1.990 2.811 ( -4.920 -0.000 0.383) 4.935 3.080 ( -3.591 -0.000 -6.107) 7.085 3.143 ( -0.333 -0.000 -0.295) 0.445 3.269 ( 4.750 0.000 -9.672) 10.775 3.545 ( 1.027 0.000 1.622) 1.920 3.898 ( -1.170 -0.000 -0.134) 1.177 3.950 ( -0.630 -0.000 0.041) 0.632 4.038 ( -1.409 -0.000 1.187) 1.842 4.441 ( -3.821 -0.000 0.433) 3.845 4.611 ( 1.966 0.000 0.046) 1.967 5.249 ( 2.075 0.000 -0.586) 2.156 6.101 ( -2.324 -0.000 0.117) 2.327 7.440 ( -6.041 -0.000 -0.399) 6.055 7.512 ( -0.949 -0.000 0.737) 1.202 7.611 ( -3.856 -0.000 -0.429) 3.880 7.826 ( 1.877 0.000 -0.546) 1.955 8.281 ( 1.512 0.000 0.247) 1.532 8.443 ( -0.462 -0.000 -0.853) 0.970 8.788 ( -2.008 -0.000 1.503) 2.508 8.795 ( 7.322 0.000 0.910) 7.378 9.454 ( -0.614 -0.000 -0.621) 0.873 9.761 ( 0.062 0.000 0.054) 0.083 ======================= Grid point 417 (178/324) ======================= q-point: ( 0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 8.757 -2.715 13.343) 16.189 1.022 ( 2.276 -7.014 1.959) 7.630 1.222 ( -0.497 -7.609 9.101) 11.874 1.524 ( 2.002 -7.301 -6.833) 10.198 1.819 ( 0.979 -11.510 0.702) 11.573 1.885 ( 2.320 -5.829 -3.252) 7.067 1.928 ( -0.591 -2.312 -1.528) 2.833 2.054 ( 8.578 -3.416 2.284) 9.512 2.095 ( 4.780 -3.296 0.491) 5.827 2.262 ( 0.193 -5.577 2.469) 6.102 2.535 ( -5.105 0.490 0.338) 5.140 2.671 ( 1.342 3.614 0.383) 3.874 2.688 ( 2.225 2.383 0.691) 3.333 2.787 ( -0.521 -0.184 0.853) 1.016 2.916 ( -4.050 1.198 -2.378) 4.846 3.004 ( 4.117 -6.922 1.562) 8.204 3.251 ( 3.366 -0.044 -5.449) 6.405 3.329 ( -2.176 -13.476 -1.599) 13.744 3.529 ( 2.988 2.037 -0.008) 3.617 3.836 ( -0.242 4.491 1.065) 4.622 3.979 ( -0.985 -1.550 0.096) 1.839 4.008 ( -0.179 1.854 0.875) 2.058 4.395 ( -5.121 1.978 0.344) 5.500 4.558 ( 2.738 4.358 -0.011) 5.146 5.675 ( -1.735 -34.127 -5.143) 34.556 6.182 ( -3.304 -9.637 0.224) 10.190 7.300 ( -8.228 6.624 0.583) 10.580 7.435 ( -0.062 2.227 -0.178) 2.235 7.740 ( -5.200 -9.103 1.392) 10.575 7.912 ( 1.023 -6.212 -0.852) 6.353 8.308 ( 4.287 -1.429 -0.883) 4.604 8.406 ( -0.658 2.331 -1.285) 2.741 8.791 ( -1.581 -1.072 1.972) 2.746 8.820 ( 7.732 1.402 1.023) 7.925 9.437 ( -1.272 1.020 -0.569) 1.727 9.750 ( 0.133 1.175 0.095) 1.187 ======================= Grid point 418 (179/324) ======================= q-point: ( 0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 2.206 1.496 3.185) 4.153 1.185 ( 6.348 -8.189 8.039) 13.114 1.269 ( 2.326 -1.768 2.936) 4.142 1.780 ( 1.157 -11.286 -2.386) 11.594 1.876 ( 0.191 -0.637 2.103) 2.206 1.995 ( 4.315 -4.815 -8.335) 10.549 2.060 ( -0.530 -4.059 -5.170) 6.594 2.134 ( 5.400 -11.297 -0.106) 12.522 2.343 ( 0.473 -8.501 -0.159) 8.516 2.405 ( 4.626 -8.520 5.134) 10.971 2.522 ( -3.504 -2.733 3.372) 5.579 2.593 ( 3.882 2.626 2.348) 5.242 2.686 ( -1.383 -0.711 -3.911) 4.209 2.817 ( 2.122 -1.591 1.710) 3.156 2.900 ( 0.737 -4.276 -1.112) 4.479 3.179 ( 1.951 -6.664 1.148) 7.038 3.329 ( 1.920 -7.156 -2.100) 7.701 3.468 ( 1.373 1.473 -2.502) 3.211 3.590 ( -3.481 -10.745 0.823) 11.324 3.758 ( 3.305 4.456 0.898) 5.620 3.928 ( -2.113 3.420 0.109) 4.022 4.041 ( 1.237 -2.902 0.043) 3.154 4.334 ( -4.669 1.787 0.087) 5.000 4.491 ( 2.734 4.469 0.019) 5.238 6.268 ( -3.832 -30.154 -3.981) 30.656 6.400 ( -3.218 -14.846 0.371) 15.195 7.204 ( -9.180 -0.840 0.757) 9.249 7.434 ( 0.827 -2.149 -0.645) 2.391 7.872 ( -4.947 -7.358 0.960) 8.918 8.013 ( 0.195 -4.502 0.005) 4.506 8.378 ( 7.108 -1.647 -1.045) 7.371 8.391 ( -1.441 -4.052 -1.806) 4.664 8.820 ( -0.772 -2.246 1.806) 2.984 8.830 ( 6.367 1.429 0.896) 6.587 9.407 ( -1.749 1.130 -0.502) 2.142 9.721 ( 0.233 1.995 0.153) 2.014 ======================= Grid point 419 (180/324) ======================= q-point: ( 0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -3.040 4.936 0.459) 5.815 1.360 ( 3.485 -6.340 8.227) 10.955 1.418 ( 6.040 -10.367 0.821) 12.026 1.860 ( 1.691 0.204 0.162) 1.711 1.940 ( 3.045 -3.292 2.125) 4.962 2.103 ( 4.458 -5.950 -7.344) 10.450 2.136 ( 0.095 -4.657 -4.417) 6.419 2.264 ( 6.387 1.618 0.198) 6.592 2.433 ( -1.320 -2.527 -0.500) 2.894 2.494 ( 1.525 -3.004 2.115) 3.978 2.603 ( -0.793 -6.917 0.333) 6.971 2.695 ( -0.525 -1.960 -3.155) 3.751 2.726 ( 1.228 -7.259 1.503) 7.514 2.926 ( 0.728 -10.019 1.526) 10.161 3.032 ( 3.669 -6.743 1.156) 7.763 3.272 ( -0.769 -2.504 0.309) 2.637 3.389 ( -3.988 0.680 -0.458) 4.072 3.504 ( 4.111 -5.046 -2.362) 6.924 3.700 ( 6.609 1.025 1.180) 6.791 3.720 ( -0.334 -0.400 0.538) 0.748 3.890 ( -6.312 -2.063 0.348) 6.650 4.117 ( 2.738 -3.846 -0.629) 4.763 4.294 ( -2.549 0.220 0.107) 2.561 4.420 ( 2.419 4.311 0.148) 4.946 6.625 ( -2.933 -13.436 1.436) 13.827 6.780 ( -3.180 -24.050 -2.507) 24.389 7.238 ( -9.374 -7.561 0.746) 12.066 7.501 ( -0.232 -3.855 -1.095) 4.014 7.982 ( -2.033 -7.244 0.227) 7.528 8.117 ( 0.427 -7.145 0.139) 7.159 8.429 ( 3.734 -2.724 -1.023) 4.734 8.524 ( 2.048 -7.780 -0.995) 8.107 8.836 ( 5.658 1.212 0.734) 5.832 8.870 ( -1.455 -3.183 1.160) 3.687 9.380 ( -2.038 0.538 -0.443) 2.154 9.680 ( 0.337 2.572 0.242) 2.605 ======================= Grid point 420 (181/324) ======================= q-point: ( 0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -4.872 1.133 1.156) 5.134 1.526 ( 2.059 -8.128 4.824) 9.673 1.633 ( 2.747 -8.900 1.717) 9.471 1.833 ( 5.467 3.690 -0.162) 6.598 2.021 ( 3.687 -2.777 1.791) 4.951 2.183 ( 2.005 -1.346 -0.589) 2.485 2.222 ( -4.197 -3.878 -2.779) 6.354 2.265 ( 12.354 -1.823 -3.569) 12.988 2.459 ( 0.270 -1.769 -0.088) 1.792 2.552 ( 1.981 -1.603 1.707) 3.067 2.727 ( -0.861 -3.318 -1.230) 3.642 2.740 ( 0.544 -5.682 -1.042) 5.802 2.820 ( -3.485 -3.154 -0.026) 4.701 3.072 ( -0.034 -3.125 -1.930) 3.673 3.186 ( 2.129 -7.793 2.002) 8.323 3.263 ( -3.813 1.682 1.299) 4.366 3.381 ( -2.896 -2.200 -0.564) 3.680 3.545 ( 6.878 2.999 -1.064) 7.578 3.721 ( 0.639 -3.789 -0.533) 3.879 3.776 ( 4.597 -2.249 -0.492) 5.141 3.915 ( -4.911 -3.305 1.860) 6.205 4.161 ( 0.795 0.471 -0.136) 0.934 4.300 ( 0.246 0.252 0.190) 0.401 4.376 ( 1.985 0.274 0.108) 2.007 6.839 ( -1.598 -10.550 1.700) 10.805 7.139 ( -5.759 -16.753 -1.034) 17.746 7.392 ( -4.080 -11.211 0.378) 11.936 7.544 ( -3.270 -2.796 -0.705) 4.360 8.146 ( 2.254 -9.834 -0.239) 10.092 8.287 ( 0.559 -10.591 0.032) 10.605 8.508 ( 3.856 -3.733 -0.784) 5.424 8.670 ( 0.777 -6.712 -0.552) 6.779 8.844 ( 4.113 0.711 0.627) 4.221 8.923 ( -1.868 -2.989 0.836) 3.623 9.369 ( -2.114 -0.618 -0.396) 2.237 9.632 ( 0.575 2.885 0.352) 2.963 ======================= Grid point 421 (182/324) ======================= q-point: ( 0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -5.318 -5.454 1.421) 7.749 1.658 ( 2.600 2.256 1.353) 3.699 1.701 ( 1.559 -2.814 2.833) 4.286 1.877 ( 4.367 -5.502 0.209) 7.027 2.078 ( 2.890 -1.429 0.420) 3.251 2.204 ( 3.046 -1.039 0.508) 3.258 2.281 ( 1.820 -4.040 -1.963) 4.846 2.348 ( 1.363 -1.666 -0.323) 2.177 2.533 ( 1.266 -5.000 -1.009) 5.255 2.593 ( 5.294 -1.599 1.418) 5.710 2.766 ( -1.143 -1.396 -0.693) 1.933 2.791 ( -3.506 0.734 -1.314) 3.815 2.862 ( -1.573 -5.334 1.418) 5.739 3.072 ( 0.028 2.642 -3.270) 4.204 3.198 ( -2.091 2.499 3.283) 4.625 3.293 ( -2.636 -3.212 -0.416) 4.176 3.425 ( 1.299 -0.824 -0.895) 1.779 3.535 ( 3.433 -1.114 -1.095) 3.772 3.794 ( 1.399 -1.158 -0.430) 1.866 3.824 ( 1.062 -3.070 -1.422) 3.546 3.971 ( -1.096 -3.324 1.742) 3.909 4.135 ( 1.014 2.056 0.860) 2.449 4.267 ( -0.342 2.203 0.325) 2.253 4.415 ( 1.643 -1.781 0.100) 2.425 7.016 ( -0.473 -8.812 1.393) 8.934 7.349 ( -7.939 -8.423 0.067) 11.575 7.482 ( -1.377 -2.471 -0.129) 2.832 7.681 ( -0.827 -10.926 0.298) 10.961 8.348 ( 3.692 -10.098 -0.906) 10.790 8.495 ( 1.620 -10.207 0.232) 10.337 8.594 ( 2.867 -3.488 -0.556) 4.549 8.766 ( -0.722 -3.472 -0.828) 3.642 8.852 ( 3.012 0.352 0.679) 3.107 8.962 ( -2.724 -2.223 1.039) 3.666 9.381 ( -2.085 -1.870 -0.343) 2.822 9.582 ( 1.057 2.885 0.461) 3.107 ======================= Grid point 422 (183/324) ======================= q-point: ( 0.50 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -4.841 -9.526 0.769) 10.714 1.537 ( 6.077 9.636 1.522) 11.493 1.802 ( -0.704 -4.623 0.518) 4.705 1.970 ( 0.926 -2.549 -0.971) 2.881 2.108 ( 1.475 -0.571 0.299) 1.609 2.249 ( 2.570 -1.067 -0.649) 2.858 2.358 ( -0.047 0.224 0.234) 0.328 2.387 ( 2.669 -6.366 1.282) 7.021 2.581 ( -0.796 -1.271 -0.655) 1.636 2.662 ( 1.350 -0.108 -0.436) 1.423 2.725 ( -0.971 1.553 2.922) 3.448 2.831 ( 1.739 -3.598 -0.226) 4.002 2.941 ( -2.500 -2.897 -0.133) 3.829 2.997 ( 1.420 2.661 -3.088) 4.317 3.170 ( -3.640 0.618 3.002) 4.759 3.294 ( -2.748 0.089 -1.224) 3.009 3.420 ( 5.989 2.274 -1.088) 6.498 3.592 ( -2.253 -3.502 -1.966) 4.605 3.779 ( 1.622 2.574 0.113) 3.044 3.880 ( 0.846 -1.760 -1.105) 2.243 4.025 ( -0.522 -2.536 1.321) 2.907 4.111 ( 0.378 1.372 1.246) 1.891 4.233 ( -0.523 1.097 0.466) 1.301 4.442 ( 0.931 -0.459 0.107) 1.044 7.172 ( 1.010 -7.439 0.944) 7.567 7.345 ( -5.178 2.188 -0.090) 5.622 7.590 ( -1.720 -7.179 1.280) 7.492 7.836 ( 0.576 -5.133 -0.184) 5.169 8.543 ( 3.794 -8.396 -1.097) 9.278 8.646 ( -2.423 -3.363 -0.007) 4.144 8.658 ( 5.210 -3.187 -0.339) 6.117 8.783 ( -1.458 0.509 -1.084) 1.887 8.865 ( 1.953 0.011 0.558) 2.031 8.987 ( -2.934 -1.906 1.376) 3.760 9.413 ( -2.086 -2.668 -0.252) 3.396 9.537 ( 1.561 2.773 0.517) 3.223 ======================= Grid point 423 (184/324) ======================= q-point: (-0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -1.003 -6.873 -0.063) 6.946 1.405 ( 3.058 5.380 1.077) 6.281 1.857 ( -0.339 -1.579 -0.919) 1.858 1.986 ( -1.748 0.117 -1.399) 2.242 2.116 ( 0.266 0.306 0.329) 0.522 2.245 ( 0.228 1.941 -1.082) 2.234 2.352 ( 0.101 0.190 -0.024) 0.217 2.503 ( 0.265 -1.782 0.259) 1.820 2.591 ( -0.876 0.089 -0.662) 1.102 2.624 ( -0.265 0.145 1.325) 1.359 2.731 ( 3.632 -0.094 3.979) 5.388 2.869 ( 0.689 0.477 -1.614) 1.819 2.936 ( -0.481 2.133 -2.134) 3.055 2.973 ( -2.677 1.332 -0.694) 3.069 3.166 ( -5.282 -3.132 2.718) 6.715 3.314 ( 2.600 -2.694 -0.325) 3.759 3.392 ( 3.823 2.792 -3.138) 5.679 3.615 ( -0.580 0.430 0.221) 0.755 3.739 ( -0.377 1.328 -0.156) 1.389 3.890 ( 0.682 0.838 -0.648) 1.260 4.043 ( -1.395 1.443 2.182) 2.964 4.102 ( 0.131 -0.962 0.537) 1.110 4.227 ( -0.450 -0.592 0.218) 0.775 4.445 ( 0.208 0.335 0.025) 0.395 7.235 ( -2.356 3.378 1.243) 4.302 7.338 ( 2.064 -5.376 -0.431) 5.774 7.683 ( 0.458 -2.495 1.041) 2.742 7.873 ( -0.475 0.932 -0.455) 1.140 8.603 ( -2.097 2.966 -0.297) 3.645 8.675 ( -0.767 3.023 -1.486) 3.454 8.711 ( 2.965 -3.925 -0.960) 5.012 8.768 ( 1.677 0.026 0.106) 1.680 8.862 ( -0.301 0.974 0.258) 1.051 9.013 ( -1.056 -1.447 1.392) 2.268 9.454 ( -1.588 -2.411 -0.195) 2.893 9.496 ( 1.287 2.238 0.475) 2.625 ======================= Grid point 424 (185/324) ======================= q-point: (-0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 6.836 6.654 -0.314) 9.545 1.470 ( -4.834 -10.180 -0.489) 11.280 1.846 ( -0.945 2.690 -0.708) 2.938 1.951 ( -3.166 1.754 -0.883) 3.726 2.097 ( -0.053 1.874 -0.353) 1.908 2.170 ( -3.636 5.183 -1.628) 6.537 2.360 ( 0.638 -0.788 0.001) 1.014 2.437 ( -1.420 4.728 -3.055) 5.806 2.588 ( -1.787 -0.337 -0.442) 1.872 2.617 ( 1.561 4.807 -0.029) 5.054 2.788 ( 4.711 -1.677 6.239) 7.995 2.821 ( -2.059 4.326 -1.145) 4.926 2.867 ( -0.647 0.304 -2.185) 2.299 2.964 ( 1.436 -0.181 0.489) 1.528 3.212 ( -7.207 -3.981 0.657) 8.259 3.350 ( 0.104 1.684 -3.465) 3.854 3.394 ( 5.638 -2.294 0.280) 6.094 3.559 ( 1.683 5.930 2.214) 6.550 3.738 ( -2.492 -1.670 -0.429) 3.031 3.853 ( 1.030 3.569 0.451) 3.742 3.999 ( -1.084 1.906 2.158) 3.076 4.129 ( -0.606 -1.570 -0.150) 1.690 4.246 ( -0.382 -1.577 -0.004) 1.622 4.431 ( -0.513 1.188 -0.099) 1.298 7.136 ( -1.283 5.933 1.688) 6.300 7.450 ( 3.666 -4.332 -1.070) 5.775 7.676 ( 3.743 4.964 0.011) 6.217 7.811 ( -2.445 4.249 -0.344) 4.914 8.484 ( -2.302 7.903 -1.103) 8.305 8.571 ( -3.489 5.985 -0.617) 6.955 8.707 ( 2.655 4.450 -0.209) 5.186 8.807 ( 1.783 -0.428 -0.928) 2.055 8.828 ( -2.050 1.224 0.173) 2.394 9.024 ( 0.607 0.670 1.384) 1.653 9.441 ( 1.278 2.579 0.267) 2.891 9.514 ( -1.420 -3.151 -0.104) 3.458 ======================= Grid point 425 (186/324) ======================= q-point: (-0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 5.438 3.760 -1.781) 6.847 1.622 ( -5.126 -5.406 -1.133) 7.536 1.749 ( -5.224 3.708 2.798) 6.991 1.889 ( 2.662 5.799 -2.506) 6.855 1.988 ( -5.650 7.162 -1.879) 9.314 2.077 ( -4.455 1.043 -1.254) 4.745 2.322 ( -2.306 4.604 -3.500) 6.226 2.396 ( 2.861 -0.146 -2.930) 4.098 2.489 ( -2.282 5.262 -0.333) 5.746 2.595 ( 2.383 0.160 -0.260) 2.402 2.723 ( -0.671 5.026 0.686) 5.117 2.814 ( 2.310 3.634 0.860) 4.391 2.862 ( 0.748 -0.095 2.838) 2.937 3.003 ( 3.235 -1.255 1.188) 3.668 3.250 ( -7.826 -4.136 -0.931) 8.901 3.302 ( -0.142 3.601 -0.021) 3.604 3.400 ( 4.060 6.602 2.247) 8.070 3.477 ( 0.247 0.493 -0.171) 0.577 3.749 ( -2.244 0.171 -0.223) 2.262 3.780 ( 1.576 4.005 0.770) 4.372 3.985 ( 0.343 0.041 1.920) 1.951 4.154 ( -0.913 -1.696 -1.165) 2.251 4.279 ( -0.252 -1.937 -0.003) 1.954 4.392 ( -1.187 2.478 -0.244) 2.758 7.009 ( -0.222 7.766 2.122) 8.054 7.500 ( 4.853 6.145 -1.871) 8.051 7.542 ( 1.343 5.395 -1.097) 5.667 7.709 ( 0.195 6.054 -0.159) 6.059 8.304 ( -1.893 9.333 -1.630) 9.662 8.422 ( -3.132 8.168 0.190) 8.750 8.606 ( 2.103 7.153 -0.119) 7.457 8.754 ( -2.744 3.106 -0.553) 4.181 8.816 ( -0.467 1.662 -0.750) 1.883 8.996 ( 1.237 3.007 1.729) 3.683 9.406 ( 1.211 1.698 0.202) 2.096 9.570 ( -1.034 -3.377 -0.183) 3.536 ======================= Grid point 426 (187/324) ======================= q-point: (-0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 3.375 -0.294 -3.481) 4.857 1.497 ( -9.023 9.231 5.079) 13.871 1.615 ( -5.006 14.554 -0.447) 15.397 1.852 ( -1.298 -4.698 0.393) 4.890 1.903 ( 1.048 1.702 -4.222) 4.671 2.043 ( -4.237 -0.300 -2.917) 5.153 2.202 ( -1.137 6.071 -3.392) 7.046 2.363 ( 0.349 2.500 -5.050) 5.646 2.464 ( 0.554 -1.308 0.214) 1.436 2.591 ( 4.282 3.247 0.382) 5.387 2.623 ( -1.658 4.822 1.702) 5.376 2.741 ( 1.466 5.207 0.553) 5.438 2.824 ( -0.718 4.790 0.958) 4.937 2.991 ( 2.117 5.514 3.110) 6.675 3.180 ( -2.697 7.775 0.863) 8.274 3.230 ( 1.679 4.648 4.572) 6.732 3.382 ( -0.502 -4.191 0.962) 4.329 3.478 ( -0.005 0.422 -1.402) 1.464 3.699 ( -1.938 2.707 -0.559) 3.376 3.747 ( -0.116 0.609 -1.332) 1.469 3.999 ( 1.735 -0.515 1.548) 2.381 4.158 ( -0.664 2.202 -1.360) 2.672 4.309 ( 0.377 -0.957 0.029) 1.029 4.349 ( -1.968 -0.357 -0.482) 2.057 6.850 ( 0.147 9.749 2.260) 10.009 7.241 ( 2.338 17.813 -2.649) 18.160 7.517 ( 1.059 2.495 -2.363) 3.596 7.578 ( 2.768 8.912 0.553) 9.348 8.135 ( -1.293 6.999 -1.594) 7.294 8.242 ( -1.114 9.702 0.892) 9.807 8.484 ( 0.892 6.304 0.120) 6.368 8.669 ( -0.640 5.339 -1.644) 5.623 8.762 ( -4.054 1.919 -0.397) 4.503 8.940 ( 1.599 4.016 2.409) 4.949 9.394 ( 1.126 0.295 0.044) 1.165 9.626 ( -0.687 -3.122 -0.174) 3.201 ======================= Grid point 427 (188/324) ======================= q-point: (-0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.651 5.023 -0.749) 5.120 1.306 ( -8.789 13.805 5.689) 17.326 1.335 ( -5.203 2.679 3.350) 6.743 1.863 ( 1.877 1.336 -4.557) 5.106 1.893 ( 1.223 2.215 -0.782) 2.649 2.027 ( -1.688 2.435 -5.546) 6.288 2.110 ( 0.211 0.864 -2.720) 2.862 2.301 ( 0.349 4.617 -2.949) 5.490 2.454 ( 0.988 8.349 0.049) 8.407 2.509 ( -1.287 1.387 0.649) 2.000 2.544 ( 2.090 8.914 6.894) 11.461 2.593 ( 1.174 6.171 0.140) 6.284 2.752 ( -0.764 3.562 -1.207) 3.838 2.852 ( 0.701 6.903 4.277) 8.151 3.043 ( -2.817 5.426 -1.166) 6.224 3.176 ( 3.168 3.706 4.243) 6.463 3.431 ( 1.172 1.662 -0.511) 2.097 3.446 ( 0.380 3.161 -0.784) 3.279 3.652 ( -3.043 -1.754 0.049) 3.513 3.764 ( -1.064 -1.766 -2.516) 3.253 4.016 ( 4.682 2.453 0.678) 5.329 4.037 ( -3.683 6.214 -0.372) 7.233 4.340 ( 1.866 -1.956 0.231) 2.713 4.388 ( -2.433 -4.129 -0.745) 4.850 6.655 ( 0.115 11.859 1.929) 12.015 6.869 ( 1.396 22.444 -5.291) 23.102 7.412 ( 2.759 9.724 1.536) 10.224 7.455 ( -0.166 3.204 -1.928) 3.743 8.034 ( 0.402 3.481 -1.103) 3.674 8.071 ( -0.080 8.444 1.955) 8.668 8.387 ( -0.110 4.365 0.545) 4.401 8.540 ( 0.339 7.182 -2.954) 7.773 8.725 ( -3.860 -0.054 0.173) 3.864 8.879 ( 1.223 3.627 2.781) 4.731 9.403 ( 0.846 -0.710 -0.116) 1.110 9.677 ( -0.416 -2.640 -0.126) 2.676 ======================= Grid point 428 (189/324) ======================= q-point: (-0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 1.827 7.943 7.904) 11.354 1.068 ( -6.632 8.923 11.736) 16.166 1.330 ( -4.563 -1.441 -2.116) 5.232 1.762 ( 1.583 13.038 0.008) 13.134 1.859 ( 4.024 0.873 -4.629) 6.195 1.939 ( 1.481 2.843 -4.393) 5.438 2.092 ( 0.928 3.688 -5.369) 6.580 2.133 ( -0.591 11.978 0.053) 11.992 2.194 ( 4.096 17.286 7.974) 19.472 2.378 ( -0.354 7.573 2.694) 8.046 2.520 ( -1.301 -2.558 3.486) 4.516 2.592 ( -1.643 -2.489 -0.444) 3.015 2.672 ( 3.257 3.527 0.773) 4.862 2.818 ( -2.057 -0.923 -0.287) 2.273 2.947 ( -2.763 2.041 -3.695) 5.045 3.123 ( 1.153 4.811 2.815) 5.692 3.285 ( 3.102 9.334 -2.243) 10.089 3.442 ( 1.928 -0.317 -0.560) 2.033 3.660 ( -2.575 11.236 -2.407) 11.776 3.739 ( -1.419 -5.676 0.637) 5.885 3.952 ( 0.302 -1.551 0.184) 1.591 4.018 ( 0.505 1.325 1.048) 1.763 4.389 ( 0.516 -2.377 0.770) 2.552 4.460 ( -0.940 -4.472 -0.972) 4.672 6.371 ( -0.742 27.880 -7.542) 28.892 6.429 ( 0.330 14.853 -0.192) 14.858 7.295 ( 0.431 2.677 2.372) 3.603 7.416 ( 0.644 0.558 -1.189) 1.463 7.925 ( -0.275 8.038 2.892) 8.547 7.984 ( 1.842 3.267 -0.535) 3.789 8.323 ( -1.083 2.269 0.800) 2.638 8.427 ( 0.247 3.576 -2.990) 4.668 8.723 ( -0.503 -0.790 0.320) 0.989 8.831 ( 0.133 2.379 2.621) 3.542 9.424 ( 0.395 -1.121 -0.214) 1.208 9.719 ( -0.173 -2.014 -0.059) 2.022 ======================= Grid point 431 (190/324) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -3.233 -0.000 -0.634) 3.295 1.045 ( 11.878 0.000 13.659) 18.101 1.124 ( 5.810 0.000 8.879) 10.611 1.542 ( -0.460 -0.000 -6.949) 6.964 1.727 ( 4.475 0.000 1.935) 4.875 1.727 ( 0.149 0.000 -0.619) 0.636 1.929 ( -2.322 -0.000 0.696) 2.424 2.074 ( 16.153 0.000 -2.201) 16.302 2.130 ( -0.785 -0.000 0.152) 0.800 2.204 ( 2.763 0.000 3.050) 4.116 2.511 ( -5.711 -0.000 -0.300) 5.719 2.677 ( -2.399 -0.000 -1.100) 2.639 2.779 ( 0.078 0.000 -0.703) 0.708 2.794 ( 0.964 0.000 1.191) 1.532 2.839 ( 4.985 0.000 4.306) 6.587 3.037 ( -1.011 -0.000 -2.787) 2.964 3.138 ( -0.494 -0.000 -0.169) 0.522 3.265 ( 1.174 0.000 -6.744) 6.846 3.573 ( 2.426 0.000 1.267) 2.737 3.892 ( 0.431 0.000 0.494) 0.656 3.941 ( -1.281 -0.000 -0.081) 1.283 4.034 ( -0.549 -0.000 1.260) 1.375 4.387 ( -6.700 -0.000 -0.129) 6.701 4.635 ( 2.423 0.000 0.056) 2.424 5.276 ( 3.765 0.000 -0.582) 3.810 6.066 ( -4.693 -0.000 -0.081) 4.693 7.337 ( -13.721 -0.000 -0.449) 13.728 7.504 ( -1.139 -0.000 0.739) 1.358 7.563 ( -4.529 -0.000 0.047) 4.529 7.848 ( 2.869 0.000 -0.543) 2.920 8.312 ( 3.323 0.000 -1.669) 3.719 8.433 ( 0.623 0.000 -1.879) 1.980 8.773 ( -2.231 -0.000 2.183) 3.122 8.884 ( 9.054 0.000 1.256) 9.141 9.438 ( -1.756 -0.000 -0.802) 1.930 9.762 ( 0.074 0.000 0.151) 0.168 ======================= Grid point 432 (191/324) ======================= q-point: ( 0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -2.583 -8.712 -4.377) 10.086 1.137 ( 11.703 -2.161 11.095) 16.270 1.297 ( 5.040 -4.944 12.299) 14.181 1.512 ( 2.468 -7.888 -8.763) 12.045 1.816 ( -1.649 -10.476 -2.263) 10.844 1.887 ( -0.139 -0.756 -0.139) 0.781 1.914 ( -0.648 -7.479 -5.232) 9.150 2.099 ( 4.427 1.364 0.157) 4.635 2.208 ( 12.214 -6.446 0.082) 13.810 2.288 ( 3.214 -5.844 4.061) 7.808 2.486 ( -4.737 -0.306 0.737) 4.804 2.658 ( -2.070 -0.197 -2.786) 3.476 2.720 ( 3.634 5.556 0.776) 6.685 2.815 ( 2.809 -1.158 3.024) 4.286 2.877 ( -2.293 1.267 -0.242) 2.631 3.054 ( 5.159 -6.540 0.606) 8.352 3.251 ( 0.603 -1.006 -4.060) 4.226 3.305 ( -2.108 -13.182 0.152) 13.350 3.549 ( 0.504 3.071 -0.193) 3.118 3.849 ( 2.014 3.577 0.615) 4.151 3.972 ( 0.079 -1.295 0.006) 1.298 4.010 ( -0.176 1.374 0.816) 1.608 4.337 ( -6.627 1.395 -0.119) 6.774 4.587 ( 2.787 4.383 0.117) 5.195 5.648 ( -0.454 -30.774 -2.627) 30.889 6.140 ( -5.197 -10.103 0.033) 11.361 7.197 ( -12.275 4.639 -0.215) 13.124 7.431 ( -0.555 1.964 -0.128) 2.045 7.691 ( -5.252 -9.206 0.818) 10.631 7.920 ( 1.319 -5.105 -0.503) 5.296 8.329 ( -0.583 -1.418 -1.552) 2.182 8.420 ( 6.104 1.447 -2.667) 6.816 8.777 ( -2.303 -1.133 1.964) 3.232 8.910 ( 8.520 1.915 1.643) 8.886 9.417 ( -1.996 0.983 -0.740) 2.344 9.752 ( 0.092 1.126 0.234) 1.154 ======================= Grid point 433 (192/324) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -1.176 1.487 -2.797) 3.379 1.295 ( 9.532 -6.724 6.449) 13.329 1.338 ( 5.981 0.263 6.499) 8.836 1.782 ( 1.561 -12.067 -2.757) 12.476 1.882 ( -1.512 -3.253 3.109) 4.747 1.984 ( 0.328 -6.894 -6.786) 9.679 2.027 ( -1.929 -5.123 -3.717) 6.617 2.215 ( 9.531 -9.543 -0.715) 13.506 2.348 ( 2.184 -5.065 -1.517) 5.721 2.449 ( 0.975 -2.726 -1.281) 3.166 2.525 ( 2.045 -7.188 6.764) 10.080 2.646 ( 3.020 2.173 0.836) 3.813 2.656 ( 0.672 -0.767 -3.716) 3.853 2.841 ( 1.352 -0.443 0.690) 1.581 2.916 ( 2.158 -6.417 1.514) 6.938 3.193 ( 0.338 -5.036 -0.550) 5.077 3.336 ( 0.907 -6.970 -0.618) 7.055 3.462 ( -0.567 1.843 -2.341) 3.033 3.562 ( -3.270 -11.649 2.223) 12.301 3.801 ( 4.053 3.178 -0.023) 5.150 3.910 ( -0.959 5.137 0.275) 5.233 4.059 ( 2.595 -3.733 -0.112) 4.548 4.283 ( -5.401 0.730 -0.160) 5.452 4.518 ( 2.671 4.555 0.223) 5.285 6.220 ( -3.326 -29.808 -1.971) 30.057 6.364 ( -4.182 -15.797 0.269) 16.344 7.104 ( -11.041 -1.239 -0.084) 11.111 7.435 ( 0.072 -2.401 -0.571) 2.469 7.826 ( -4.779 -7.917 0.607) 9.268 8.013 ( 0.187 -4.702 -0.069) 4.706 8.369 ( -1.674 -4.142 -1.067) 4.593 8.457 ( 9.395 -1.852 -2.395) 9.871 8.798 ( -2.985 -2.160 1.056) 3.833 8.914 ( 7.555 2.095 1.594) 8.000 9.384 ( -2.178 1.139 -0.641) 2.540 9.724 ( 0.096 1.936 0.320) 1.965 ======================= Grid point 434 (193/324) ======================= q-point: ( 0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -1.576 6.093 0.766) 6.340 1.423 ( 3.917 -5.245 4.986) 8.229 1.487 ( 6.251 -8.496 2.072) 10.750 1.885 ( 2.664 -1.195 1.166) 3.144 1.988 ( 4.243 -4.002 3.139) 6.624 2.075 ( -3.653 -6.113 -5.663) 9.098 2.125 ( 1.836 -5.179 -3.186) 6.352 2.372 ( 12.464 2.042 1.259) 12.692 2.423 ( 0.115 -2.537 -0.735) 2.644 2.511 ( 0.013 -5.866 0.335) 5.876 2.604 ( 1.436 -4.550 0.077) 4.772 2.677 ( 0.041 -2.428 -3.921) 4.612 2.737 ( 0.198 -4.615 1.005) 4.728 2.929 ( -0.643 -8.337 -0.544) 8.379 3.073 ( 3.083 -7.604 1.178) 8.289 3.252 ( -2.909 -1.645 -0.752) 3.425 3.344 ( -4.693 1.194 -0.360) 4.856 3.539 ( 4.112 -6.371 -0.935) 7.640 3.722 ( -0.284 -2.088 1.344) 2.500 3.777 ( 7.404 0.664 0.320) 7.440 3.829 ( -5.535 -0.198 0.422) 5.555 4.142 ( 2.586 -2.870 -0.472) 3.892 4.271 ( -1.911 -1.896 0.095) 2.694 4.444 ( 2.176 4.595 0.286) 5.092 6.602 ( -2.732 -14.669 1.339) 14.981 6.738 ( -3.646 -23.402 -1.608) 23.738 7.146 ( -9.438 -9.258 0.561) 13.233 7.489 ( -1.214 -2.681 -0.999) 3.108 7.966 ( -1.473 -9.550 0.583) 9.681 8.121 ( 0.476 -7.100 -0.157) 7.117 8.452 ( 1.538 -4.658 -1.075) 5.021 8.562 ( 6.212 -5.165 -0.977) 8.137 8.828 ( -3.475 -2.453 0.263) 4.261 8.919 ( 6.075 1.187 1.278) 6.320 9.356 ( -2.332 0.502 -0.566) 2.451 9.684 ( 0.135 2.448 0.408) 2.485 ======================= Grid point 435 (194/324) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -2.379 2.187 2.309) 3.972 1.564 ( 1.553 -6.675 4.466) 8.180 1.669 ( 3.357 -7.335 1.230) 8.161 1.895 ( 6.700 2.139 0.472) 7.049 2.069 ( 4.471 -1.830 1.038) 4.941 2.161 ( -4.151 -5.335 -1.036) 6.838 2.206 ( 2.285 -3.310 -0.960) 4.135 2.366 ( 6.676 2.007 1.197) 7.073 2.470 ( 3.134 -2.575 -1.523) 4.333 2.589 ( 4.688 -2.027 0.600) 5.143 2.720 ( 0.983 -3.073 -1.650) 3.624 2.733 ( -0.743 -5.955 -1.778) 6.259 2.785 ( -3.939 -1.476 1.216) 4.379 3.053 ( -2.110 -4.560 -2.311) 5.530 3.204 ( 0.069 -4.370 -0.851) 4.452 3.230 ( -3.052 0.737 1.838) 3.638 3.347 ( -3.435 -3.501 -0.894) 4.985 3.610 ( 6.454 2.677 -0.593) 7.012 3.722 ( 0.131 -3.375 -0.735) 3.457 3.800 ( -0.822 -1.133 -1.206) 1.848 3.900 ( 1.568 -4.631 2.448) 5.467 4.167 ( 0.051 0.384 0.307) 0.494 4.309 ( 1.478 0.521 0.262) 1.589 4.394 ( 1.478 0.171 0.203) 1.502 6.832 ( -0.858 -10.950 1.345) 11.065 7.071 ( -7.166 -15.765 -0.325) 17.321 7.360 ( -2.839 -14.408 0.635) 14.699 7.509 ( -2.994 -2.173 -0.622) 3.752 8.170 ( 2.511 -11.059 0.139) 11.342 8.289 ( 0.043 -10.814 -0.088) 10.815 8.546 ( 4.009 -4.058 -1.026) 5.796 8.683 ( 2.408 -5.053 -0.200) 5.601 8.852 ( -2.323 -1.656 0.355) 2.875 8.934 ( 3.029 -0.005 0.819) 3.138 9.344 ( -2.339 -0.728 -0.525) 2.505 9.638 ( 0.385 2.629 0.508) 2.705 ======================= Grid point 436 (195/324) ======================= q-point: ( 0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -2.721 -4.509 2.187) 5.702 1.680 ( 0.200 -2.699 2.400) 3.617 1.741 ( 4.434 1.192 1.865) 4.955 1.923 ( 4.573 -2.323 0.479) 5.151 2.108 ( 2.965 -0.563 -0.277) 3.031 2.221 ( 0.693 -2.872 -0.008) 2.954 2.293 ( 1.952 -4.946 -0.031) 5.317 2.369 ( 1.248 0.355 1.612) 2.069 2.536 ( 0.448 -2.913 -0.941) 3.094 2.662 ( 6.342 -1.808 0.075) 6.595 2.738 ( -2.364 0.538 0.697) 2.522 2.773 ( 0.165 -2.541 -1.337) 2.876 2.849 ( -1.859 -5.142 0.938) 5.548 3.056 ( -0.659 2.429 -2.498) 3.546 3.178 ( -4.388 1.292 2.182) 5.068 3.265 ( -1.684 -1.519 -1.597) 2.774 3.423 ( -0.536 -4.882 -0.953) 5.003 3.571 ( 3.926 2.962 -1.009) 5.021 3.796 ( -0.491 -2.233 -0.724) 2.398 3.826 ( 0.406 -2.958 -1.684) 3.428 3.979 ( 1.513 -2.582 1.413) 3.310 4.148 ( 0.508 1.645 1.195) 2.096 4.267 ( 0.067 2.786 0.591) 2.849 4.431 ( 1.476 -1.538 0.139) 2.136 7.018 ( 0.026 -9.269 0.937) 9.316 7.273 ( -7.353 -8.539 0.701) 11.291 7.471 ( -0.876 -2.993 0.180) 3.124 7.674 ( -0.642 -12.238 0.323) 12.259 8.383 ( 3.897 -10.172 -0.724) 10.917 8.500 ( -0.376 -10.579 0.328) 10.591 8.633 ( 4.753 -2.941 -0.811) 5.648 8.757 ( -0.413 -2.233 -0.588) 2.346 8.872 ( 0.062 -0.994 1.004) 1.414 8.947 ( -0.724 -0.549 0.698) 1.146 9.358 ( -2.209 -1.988 -0.472) 3.009 9.594 ( 0.870 2.541 0.598) 2.752 ======================= Grid point 437 (196/324) ======================= q-point: ( 0.57 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -2.589 -9.142 1.045) 9.559 1.602 ( 5.431 9.360 1.377) 10.908 1.803 ( 0.700 -3.722 1.226) 3.981 1.969 ( -0.270 -1.003 -1.114) 1.523 2.122 ( 1.134 0.181 0.156) 1.159 2.266 ( 1.669 -0.591 -0.899) 1.986 2.361 ( 0.122 0.046 1.310) 1.317 2.422 ( 2.987 -5.898 1.215) 6.722 2.575 ( -0.074 -1.500 -0.583) 1.611 2.644 ( -2.535 1.770 0.104) 3.094 2.760 ( 2.769 0.515 2.996) 4.112 2.844 ( 1.412 -3.692 -0.376) 3.971 2.914 ( -2.356 -2.687 -0.389) 3.595 3.004 ( 1.816 2.411 -2.710) 4.056 3.128 ( -6.120 1.249 2.565) 6.752 3.276 ( -0.419 -1.732 -1.595) 2.392 3.468 ( 4.884 2.389 -1.612) 5.671 3.562 ( -2.203 -2.902 -1.367) 3.891 3.791 ( 0.509 2.019 0.314) 2.106 3.878 ( 0.082 -1.762 -2.051) 2.705 4.028 ( 0.083 -2.101 1.256) 2.449 4.120 ( 0.449 1.796 1.387) 2.313 4.229 ( -0.595 1.136 0.667) 1.446 4.451 ( 0.895 -0.091 0.140) 0.911 7.186 ( 1.148 -7.934 0.639) 8.042 7.296 ( -4.525 0.716 0.323) 4.592 7.583 ( -0.743 -7.439 1.370) 7.601 7.839 ( 0.184 -5.078 -0.157) 5.083 8.577 ( 3.833 -7.723 -0.958) 8.675 8.626 ( -1.530 -3.266 0.021) 3.607 8.698 ( 3.089 -1.240 -0.865) 3.439 8.771 ( -0.007 -0.586 -0.569) 0.817 8.884 ( 1.284 0.779 0.695) 1.654 8.962 ( -3.010 -2.339 1.271) 4.018 9.392 ( -1.941 -2.775 -0.381) 3.408 9.553 ( 1.225 2.576 0.625) 2.920 ======================= Grid point 438 (197/324) ======================= q-point: (-0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.892 -10.193 0.002) 10.232 1.444 ( 3.461 9.339 0.934) 10.003 1.859 ( 1.474 -1.346 -0.500) 2.058 1.956 ( -3.166 1.157 -1.130) 3.555 2.114 ( -0.675 0.827 0.395) 1.138 2.249 ( 1.288 3.174 -1.266) 3.652 2.356 ( 0.394 0.341 0.446) 0.686 2.494 ( -1.469 1.046 -0.732) 1.946 2.568 ( -2.587 0.170 -0.448) 2.631 2.661 ( 4.862 -2.169 2.479) 5.873 2.773 ( 1.749 -0.989 1.869) 2.744 2.878 ( 2.662 0.211 -0.619) 2.741 2.906 ( -3.174 5.704 -2.194) 6.887 2.947 ( -2.168 -1.411 -0.229) 2.597 3.125 ( -4.772 -2.080 2.162) 5.636 3.339 ( 2.255 -4.013 -0.151) 4.606 3.408 ( 2.115 3.661 -3.775) 5.668 3.618 ( 0.804 -2.216 0.804) 2.490 3.737 ( -0.015 3.453 0.224) 3.460 3.884 ( -0.999 0.251 -1.500) 1.820 4.041 ( -0.777 1.488 2.387) 2.919 4.107 ( 0.458 -0.365 0.653) 0.877 4.222 ( -0.712 -0.588 0.234) 0.953 4.448 ( 0.261 0.739 0.036) 0.784 7.219 ( -1.813 3.443 1.277) 4.095 7.355 ( 1.545 -6.960 -0.463) 7.145 7.694 ( 0.667 -3.708 1.064) 3.915 7.865 ( -0.684 1.876 -0.493) 2.057 8.584 ( -1.460 3.850 -0.007) 4.117 8.657 ( -1.288 4.500 -1.844) 5.031 8.741 ( 3.534 -4.520 -0.931) 5.812 8.789 ( 1.895 0.117 0.277) 1.919 8.858 ( -0.721 2.074 0.208) 2.206 9.005 ( -1.474 -2.596 1.374) 3.286 9.438 ( -1.329 -3.044 -0.291) 3.334 9.510 ( 0.989 2.767 0.538) 2.987 ======================= Grid point 439 (198/324) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 5.478 7.380 -0.086) 9.191 1.422 ( -4.093 -10.163 -0.648) 10.976 1.836 ( -1.282 4.928 0.107) 5.093 1.920 ( -1.472 0.021 -1.285) 1.954 2.088 ( -1.320 1.442 -0.043) 1.955 2.136 ( -1.645 8.714 -2.030) 9.098 2.363 ( -0.361 0.149 0.137) 0.414 2.416 ( -0.120 3.494 -2.949) 4.574 2.549 ( -3.718 1.640 -1.173) 4.230 2.657 ( 4.507 4.612 0.349) 6.458 2.794 ( -1.950 3.210 -1.364) 3.995 2.838 ( -0.120 -2.693 3.439) 4.370 2.886 ( 6.065 1.384 1.318) 6.359 2.982 ( 1.845 -2.791 0.280) 3.358 3.135 ( -8.304 -2.467 0.288) 8.667 3.328 ( -1.333 1.951 -3.679) 4.373 3.445 ( 3.916 -2.672 0.412) 4.759 3.589 ( 2.338 6.945 2.123) 7.630 3.717 ( -1.300 -1.839 -0.261) 2.267 3.857 ( -0.231 2.222 -0.207) 2.244 4.003 ( -0.190 1.914 2.755) 3.360 4.121 ( -0.807 -0.930 -0.455) 1.312 4.242 ( -0.379 -1.724 0.099) 1.768 4.427 ( -0.282 1.594 -0.110) 1.622 7.132 ( -0.835 5.359 1.758) 5.702 7.474 ( 1.938 -4.593 -1.175) 5.121 7.716 ( 4.154 4.107 -0.127) 5.843 7.779 ( -3.665 4.499 -0.246) 5.808 8.464 ( -0.866 8.145 -0.822) 8.232 8.539 ( -2.116 6.331 -0.901) 6.736 8.732 ( 2.439 4.650 -0.044) 5.251 8.797 ( -2.302 3.147 -0.249) 3.907 8.830 ( 1.719 -0.929 -0.616) 2.049 9.030 ( -0.365 -0.074 1.330) 1.381 9.453 ( 0.846 2.425 0.401) 2.600 9.502 ( -0.995 -3.079 -0.245) 3.246 ======================= Grid point 440 (199/324) ======================= q-point: (-0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 1.513 4.621 -1.484) 5.084 1.580 ( -1.977 -3.736 -0.734) 4.290 1.711 ( -4.702 3.220 3.158) 6.515 1.906 ( -6.694 11.892 -2.082) 13.804 1.920 ( 4.617 1.302 -2.843) 5.576 2.050 ( -0.814 1.823 -1.255) 2.358 2.289 ( -1.330 4.822 -3.801) 6.283 2.405 ( 0.835 1.106 -2.218) 2.615 2.469 ( -1.286 2.648 0.095) 2.945 2.627 ( 2.244 0.943 0.252) 2.447 2.716 ( 0.548 4.437 -0.465) 4.495 2.822 ( -0.256 3.532 -0.063) 3.541 2.907 ( 4.405 1.724 3.990) 6.188 3.042 ( 3.219 -0.597 1.152) 3.471 3.166 ( -7.400 -5.237 -0.918) 9.112 3.293 ( -1.363 0.845 -0.493) 1.678 3.443 ( 2.249 8.696 2.283) 9.267 3.484 ( 1.197 0.191 -0.242) 1.236 3.732 ( -0.967 0.589 -0.151) 1.142 3.797 ( 1.219 4.010 0.421) 4.212 3.994 ( -0.132 -0.348 2.217) 2.248 4.140 ( -0.833 -1.870 -1.377) 2.467 4.276 ( -0.236 -1.928 0.095) 1.945 4.382 ( -0.537 2.879 -0.245) 2.939 7.014 ( -0.438 7.454 2.147) 7.769 7.526 ( 1.889 2.951 -2.249) 4.164 7.547 ( 0.274 9.799 -0.952) 9.849 7.708 ( -0.293 4.075 0.117) 4.087 8.286 ( -0.420 9.655 -1.472) 9.776 8.401 ( -1.139 7.687 0.028) 7.771 8.625 ( 1.302 7.592 0.019) 7.703 8.726 ( -1.785 2.775 -0.297) 3.313 8.812 ( 0.141 3.203 -1.020) 3.365 9.010 ( 0.165 2.349 1.635) 2.866 9.416 ( 0.572 1.659 0.251) 1.773 9.561 ( -0.571 -3.474 -0.232) 3.529 ======================= Grid point 441 (200/324) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -2.158 0.064 -3.101) 3.778 1.447 ( -4.897 10.245 6.451) 13.060 1.582 ( -1.361 15.016 -0.665) 15.092 1.816 ( -4.261 -5.666 -0.567) 7.112 1.926 ( 5.118 0.742 -2.691) 5.829 2.016 ( 1.111 0.687 -3.432) 3.673 2.183 ( 0.145 5.211 -3.726) 6.408 2.344 ( -0.940 2.882 -3.353) 4.520 2.468 ( 0.044 -0.721 0.048) 0.723 2.598 ( -4.057 3.138 1.063) 5.238 2.649 ( 6.197 4.120 -0.104) 7.442 2.753 ( 0.470 3.464 0.071) 3.496 2.834 ( 1.464 7.971 1.964) 8.339 3.025 ( 2.365 4.970 2.661) 6.114 3.139 ( -4.196 6.474 -0.114) 7.715 3.269 ( 1.837 2.533 4.236) 5.266 3.390 ( 1.030 -3.419 1.189) 3.763 3.476 ( 0.301 0.982 -1.340) 1.688 3.681 ( -0.858 3.563 -0.528) 3.703 3.743 ( 0.260 1.700 -1.370) 2.199 4.010 ( -0.878 -0.934 1.622) 2.068 4.150 ( 0.229 2.099 -1.347) 2.505 4.311 ( -0.231 -1.888 0.074) 1.903 4.334 ( -0.356 0.596 -0.409) 0.806 6.857 ( -0.600 9.626 2.219) 9.897 7.243 ( 0.258 18.178 -2.620) 18.367 7.506 ( -1.562 3.131 -1.546) 3.825 7.600 ( 1.162 7.584 0.026) 7.672 8.121 ( -0.309 6.941 -1.331) 7.074 8.242 ( 0.529 9.034 0.600) 9.069 8.489 ( -0.190 6.588 0.283) 6.597 8.663 ( 1.022 4.967 -1.633) 5.327 8.733 ( -1.334 3.011 -0.180) 3.299 8.958 ( 0.176 3.574 2.064) 4.131 9.401 ( 0.262 0.254 0.010) 0.365 9.621 ( -0.254 -3.173 -0.144) 3.186 ======================= Grid point 442 (201/324) ======================= q-point: (-0.07 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -3.542 1.989 -0.957) 4.174 1.255 ( -4.695 9.815 11.363) 15.731 1.339 ( 2.203 8.221 -0.822) 8.551 1.857 ( 0.084 -0.495 -2.638) 2.686 1.901 ( 0.959 2.964 -0.492) 3.154 2.019 ( 5.151 2.847 -7.122) 9.239 2.110 ( 2.070 1.178 -2.826) 3.696 2.285 ( -1.333 3.173 -2.557) 4.288 2.453 ( -0.225 3.851 -1.094) 4.009 2.501 ( -2.104 4.693 1.470) 5.349 2.594 ( 1.506 4.276 3.594) 5.785 2.618 ( 3.875 12.110 4.739) 13.569 2.738 ( -0.775 2.009 -1.938) 2.897 2.878 ( 1.195 8.931 3.741) 9.756 3.011 ( -1.707 5.455 -1.866) 6.013 3.226 ( 3.485 4.285 3.217) 6.392 3.435 ( 0.267 3.105 -0.692) 3.192 3.455 ( 1.877 1.104 -1.300) 2.536 3.633 ( -0.707 -1.862 0.467) 2.046 3.744 ( -1.286 -0.873 -1.827) 2.399 3.994 ( -4.633 3.644 0.538) 5.919 4.061 ( 3.863 4.357 -0.345) 5.833 4.344 ( -1.859 -2.190 0.141) 2.876 4.376 ( 1.334 -3.994 -0.469) 4.237 6.657 ( -1.185 11.965 1.806) 12.158 6.852 ( -0.701 23.182 -4.698) 23.663 7.388 ( -5.945 6.666 1.064) 8.995 7.479 ( 3.674 5.553 -1.397) 6.804 8.023 ( -1.582 3.599 -0.517) 3.966 8.089 ( 1.802 7.620 1.116) 7.909 8.388 ( 0.092 4.323 0.533) 4.357 8.532 ( 0.011 7.627 -2.629) 8.067 8.717 ( 2.256 -0.253 0.395) 2.305 8.893 ( -0.451 3.557 2.234) 4.224 9.406 ( -0.220 -0.717 -0.187) 0.773 9.675 ( -0.020 -2.670 -0.055) 2.671 ======================= Grid point 446 (202/324) ======================= q-point: ( 0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -4.199 -0.000 -0.576) 4.239 1.179 ( 1.939 0.000 -2.021) 2.801 1.218 ( 12.197 0.000 11.133) 16.514 1.553 ( 4.455 0.000 3.118) 5.438 1.711 ( -1.626 -0.000 -3.444) 3.809 1.746 ( 2.448 0.000 -9.654) 9.960 1.903 ( -3.863 -0.000 0.629) 3.914 2.134 ( 0.551 0.000 2.630) 2.687 2.228 ( 15.631 0.000 -2.812) 15.881 2.255 ( 5.777 0.000 2.513) 6.300 2.464 ( -3.327 -0.000 1.632) 3.706 2.641 ( -3.059 -0.000 -1.364) 3.349 2.778 ( -0.569 -0.000 0.500) 0.757 2.799 ( -0.112 -0.000 -1.187) 1.192 2.916 ( 6.256 0.000 4.946) 7.975 3.046 ( 3.980 0.000 -0.167) 3.983 3.133 ( -0.559 -0.000 0.017) 0.559 3.243 ( -0.909 -0.000 -4.244) 4.340 3.585 ( -1.571 -0.000 1.418) 2.116 3.914 ( 3.147 0.000 0.530) 3.191 3.925 ( -1.605 -0.000 -0.181) 1.615 4.038 ( 0.702 0.000 0.898) 1.140 4.314 ( -7.346 -0.000 -0.365) 7.355 4.656 ( 1.844 0.000 -0.084) 1.845 5.318 ( 5.162 0.000 -0.624) 5.200 6.010 ( -6.532 -0.000 -0.242) 6.537 7.182 ( -16.161 -0.000 -1.143) 16.201 7.496 ( -1.015 -0.000 0.737) 1.254 7.523 ( -3.582 -0.000 -0.422) 3.607 7.876 ( 3.157 0.000 -0.548) 3.204 8.307 ( -2.633 -0.000 -1.238) 2.909 8.458 ( 6.317 0.000 -4.316) 7.651 8.763 ( -1.265 -0.000 2.363) 2.680 8.975 ( 7.468 0.000 1.958) 7.720 9.416 ( -1.898 -0.000 -0.854) 2.081 9.763 ( -0.033 -0.000 0.329) 0.331 ======================= Grid point 447 (203/324) ======================= q-point: ( 0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -2.652 -8.798 -4.665) 10.306 1.276 ( 7.748 -4.239 6.008) 10.682 1.384 ( 4.271 -9.887 6.430) 12.544 1.527 ( 6.810 -1.113 -4.262) 8.111 1.772 ( -4.316 -7.851 -3.914) 9.777 1.869 ( -3.719 -6.751 -4.630) 8.991 1.882 ( -0.540 -3.415 -1.303) 3.695 2.150 ( 4.815 -1.681 1.365) 5.279 2.293 ( 5.515 -2.241 -3.670) 6.993 2.374 ( 11.378 -6.207 1.106) 13.008 2.468 ( 0.071 -0.944 5.228) 5.313 2.625 ( -2.090 -0.284 -3.127) 3.772 2.757 ( 3.070 2.944 0.613) 4.297 2.831 ( -1.548 -3.317 0.518) 3.697 2.888 ( 3.272 3.796 3.107) 5.897 3.110 ( 5.574 -4.395 -0.208) 7.101 3.236 ( -0.338 -2.495 -2.668) 3.668 3.290 ( -1.692 -12.568 1.635) 12.786 3.533 ( -3.490 3.764 0.358) 5.145 3.864 ( 0.098 2.793 -0.162) 2.800 3.993 ( 3.941 -2.516 0.052) 4.676 4.011 ( 0.035 2.221 0.702) 2.329 4.268 ( -6.465 0.950 -0.459) 6.551 4.613 ( 2.311 4.108 0.104) 4.714 5.645 ( 1.266 -27.425 -1.142) 27.478 6.082 ( -6.401 -10.824 -0.092) 12.576 7.064 ( -13.480 2.611 -1.392) 13.801 7.423 ( -0.850 1.597 -0.234) 1.824 7.647 ( -4.119 -8.663 0.347) 9.599 7.933 ( 1.665 -3.929 -0.427) 4.288 8.302 ( -2.901 -1.576 -0.743) 3.384 8.481 ( 7.743 -0.202 -4.639) 9.028 8.767 ( -0.825 -0.400 1.875) 2.087 8.992 ( 5.941 1.899 2.039) 6.562 9.395 ( -1.583 1.049 -0.750) 2.041 9.753 ( -0.108 1.091 0.431) 1.178 ======================= Grid point 448 (204/324) ======================= q-point: ( 0.36 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.914 -0.188 -3.265) 3.396 1.402 ( 4.985 -4.011 6.927) 9.430 1.422 ( 8.487 1.401 0.733) 8.633 1.789 ( 1.908 -13.193 -2.670) 13.595 1.859 ( -4.579 -7.888 0.948) 9.170 1.969 ( 1.310 -4.959 -2.842) 5.864 2.003 ( -0.943 -7.845 -0.891) 7.951 2.286 ( 5.137 -10.090 -1.946) 11.488 2.357 ( -0.075 -3.555 -2.134) 4.147 2.477 ( 7.446 -0.053 1.164) 7.537 2.591 ( 5.364 -7.063 4.537) 9.962 2.620 ( -1.570 -0.971 -4.645) 4.998 2.708 ( 5.819 3.489 0.474) 6.801 2.845 ( -0.519 -0.594 -0.728) 1.074 2.947 ( 2.184 -6.637 2.238) 7.337 3.178 ( -2.177 -3.118 -2.272) 4.430 3.341 ( -0.779 -3.744 0.933) 3.936 3.448 ( -0.080 -1.018 -1.135) 1.527 3.541 ( -3.128 -12.502 2.638) 13.155 3.821 ( 0.621 1.806 -0.683) 2.028 3.920 ( 1.909 6.199 0.555) 6.510 4.095 ( 4.914 -4.134 -0.215) 6.425 4.227 ( -5.573 -0.404 -0.399) 5.602 4.544 ( 2.329 4.599 0.290) 5.163 6.188 ( -2.088 -28.680 -0.548) 28.761 6.322 ( -4.345 -17.183 0.151) 17.725 6.990 ( -11.119 -2.130 -0.932) 11.360 7.431 ( -0.442 -2.357 -0.614) 2.475 7.786 ( -3.701 -8.562 0.502) 9.341 8.017 ( 0.681 -4.650 -0.210) 4.704 8.351 ( -1.333 -4.944 -0.290) 5.129 8.535 ( 8.204 -2.281 -3.721) 9.293 8.778 ( -1.389 -1.091 1.009) 2.034 8.982 ( 4.527 2.045 1.632) 5.229 9.362 ( -1.544 1.360 -0.634) 2.153 9.725 ( -0.190 1.883 0.496) 1.957 ======================= Grid point 449 (205/324) ======================= q-point: ( 0.43 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -0.655 5.984 1.306) 6.160 1.474 ( 2.754 -4.583 2.859) 6.064 1.552 ( 5.476 -6.778 1.147) 8.789 1.912 ( 1.229 -3.828 1.071) 4.161 2.025 ( -0.323 -6.727 -1.143) 6.831 2.049 ( 4.181 -3.157 0.082) 5.239 2.137 ( 1.918 -5.783 0.469) 6.111 2.400 ( -3.065 -1.717 0.728) 3.588 2.491 ( 2.289 -1.694 -1.195) 3.088 2.533 ( 11.615 -6.257 0.551) 13.205 2.618 ( 0.692 -2.185 -2.466) 3.367 2.679 ( 3.364 -1.659 -1.309) 3.973 2.740 ( -0.222 -2.292 0.763) 2.425 2.910 ( -2.135 -6.836 -1.992) 7.433 3.096 ( 1.148 -7.256 -0.514) 7.364 3.213 ( -4.060 -1.996 -0.988) 4.631 3.296 ( -4.607 1.251 -0.217) 4.779 3.577 ( 3.585 -6.791 0.463) 7.693 3.708 ( -4.363 -5.411 1.019) 7.025 3.781 ( -0.890 3.947 -0.833) 4.131 3.863 ( 6.689 -0.804 1.496) 6.901 4.158 ( 0.610 -0.791 -0.400) 1.076 4.263 ( 0.599 -4.788 0.055) 4.826 4.465 ( 1.714 4.949 0.367) 5.251 6.584 ( -1.744 -16.088 1.297) 16.234 6.696 ( -3.856 -21.631 -1.087) 21.999 7.060 ( -7.908 -11.807 0.424) 14.217 7.471 ( -1.449 -1.790 -0.898) 2.471 7.958 ( -0.789 -11.502 0.862) 11.561 8.126 ( 0.879 -6.948 -0.397) 7.015 8.457 ( 0.340 -6.302 -0.310) 6.319 8.625 ( 6.565 -3.637 -2.108) 7.796 8.799 ( -2.054 -1.875 0.520) 2.830 8.972 ( 3.196 1.404 1.047) 3.645 9.332 ( -1.731 0.718 -0.571) 1.959 9.686 ( -0.148 2.299 0.543) 2.367 ======================= Grid point 450 (206/324) ======================= q-point: ( 0.50 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.370 2.752 3.061) 4.133 1.588 ( 0.012 -5.716 3.479) 6.691 1.708 ( 3.843 -6.490 0.628) 7.569 1.967 ( 6.908 0.545 1.060) 7.010 2.099 ( 1.603 -2.604 -2.847) 4.178 2.145 ( 0.988 -4.588 2.593) 5.362 2.231 ( 2.593 -3.222 1.425) 4.375 2.388 ( -2.607 1.096 2.664) 3.886 2.501 ( 2.995 -0.717 -1.568) 3.456 2.658 ( 8.887 -2.588 -2.114) 9.495 2.715 ( -0.366 -4.308 -1.580) 4.603 2.734 ( 1.893 -1.532 -1.193) 2.712 2.755 ( -2.840 -2.550 2.435) 4.527 3.014 ( -3.802 -5.272 -1.929) 6.780 3.171 ( -4.092 -0.602 -0.832) 4.219 3.231 ( 0.994 -1.871 -0.189) 2.127 3.306 ( -3.831 -4.724 -1.124) 6.185 3.663 ( 4.351 2.833 -0.374) 5.205 3.719 ( 0.053 -3.083 -0.788) 3.183 3.763 ( -4.441 -3.184 -0.768) 5.518 3.951 ( 5.633 -2.826 1.724) 6.534 4.162 ( -1.244 -0.104 0.431) 1.321 4.332 ( 2.806 1.371 0.418) 3.151 4.406 ( 0.602 -0.188 0.243) 0.676 6.834 ( 0.281 -10.982 0.762) 11.012 6.999 ( -7.121 -15.570 0.479) 17.127 7.342 ( -1.358 -16.919 0.783) 16.992 7.481 ( -2.264 -1.755 -0.557) 2.918 8.195 ( 2.329 -12.314 0.504) 12.542 8.289 ( 0.156 -10.423 -0.340) 10.429 8.574 ( 2.348 -5.406 -0.606) 5.926 8.711 ( 2.820 -2.987 -0.973) 4.222 8.829 ( -1.766 -2.268 0.909) 3.015 8.964 ( 1.870 1.019 0.514) 2.191 9.321 ( -1.900 -0.629 -0.560) 2.078 9.643 ( 0.150 2.342 0.606) 2.424 ======================= Grid point 451 (207/324) ======================= q-point: ( 0.57 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.489 -3.515 2.584) 4.390 1.685 ( -0.748 -3.406 2.423) 4.246 1.794 ( 4.777 0.067 0.695) 4.828 1.970 ( 4.133 1.770 0.931) 4.591 2.133 ( 2.205 -0.180 -0.339) 2.238 2.229 ( 0.894 -3.828 0.313) 3.944 2.318 ( 2.734 -4.596 0.714) 5.395 2.375 ( -1.423 -0.694 2.253) 2.754 2.537 ( 0.507 -2.187 -0.778) 2.376 2.672 ( -2.281 2.797 -0.393) 3.630 2.762 ( 0.610 -4.588 -2.042) 5.059 2.783 ( 5.760 -1.175 2.772) 6.499 2.838 ( -0.620 -4.260 0.510) 4.335 3.040 ( -1.328 0.157 -1.107) 1.736 3.134 ( -5.053 1.748 0.664) 5.388 3.243 ( -1.157 -0.645 -3.049) 3.325 3.415 ( -0.230 -6.868 -0.392) 6.883 3.598 ( 2.248 4.612 -1.064) 5.240 3.782 ( -1.741 -2.362 -0.529) 2.981 3.819 ( -0.215 -4.176 -1.986) 4.629 4.008 ( 3.109 -0.866 1.133) 3.421 4.151 ( -0.764 0.894 0.970) 1.525 4.274 ( 0.731 3.685 0.972) 3.881 4.444 ( 1.046 -1.464 0.142) 1.805 7.023 ( 0.263 -9.563 0.378) 9.574 7.213 ( -5.292 -8.894 1.329) 10.434 7.466 ( -0.255 -3.394 0.371) 3.423 7.671 ( -0.359 -13.007 0.306) 13.015 8.418 ( 3.590 -10.283 -0.638) 10.910 8.496 ( -0.573 -10.319 0.287) 10.339 8.671 ( 3.415 -3.415 -0.787) 4.893 8.752 ( -0.485 -1.126 -0.755) 1.439 8.869 ( -1.034 -2.348 1.659) 3.055 8.950 ( 0.445 1.263 0.281) 1.368 9.335 ( -1.777 -2.032 -0.544) 2.754 9.604 ( 0.552 2.225 0.666) 2.388 ======================= Grid point 452 (208/324) ======================= q-point: (-0.36 -0.79 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.718 -8.498 1.180) 8.609 1.647 ( 2.451 8.133 1.075) 8.562 1.829 ( 3.480 -2.200 1.233) 4.297 1.956 ( -1.467 0.601 -0.971) 1.859 2.131 ( 0.517 0.899 0.443) 1.128 2.278 ( 1.568 -0.488 -0.968) 1.907 2.368 ( 0.082 -0.347 1.433) 1.477 2.450 ( 1.831 -4.490 0.631) 4.890 2.567 ( -1.045 -0.006 -1.011) 1.454 2.640 ( 0.973 -1.352 2.530) 3.029 2.774 ( -1.094 0.522 0.680) 1.390 2.863 ( 0.831 -2.784 1.202) 3.144 2.895 ( -0.651 -2.285 -0.638) 2.460 3.004 ( 0.121 4.958 -2.827) 5.708 3.091 ( -2.580 -0.804 2.813) 3.901 3.264 ( -0.473 -3.429 -2.435) 4.232 3.501 ( 2.713 4.754 -2.442) 5.993 3.541 ( -0.851 -4.874 -0.097) 4.949 3.791 ( -0.699 0.766 0.483) 1.144 3.867 ( -0.420 -1.082 -2.448) 2.710 4.035 ( 0.362 -1.149 1.162) 1.674 4.129 ( 0.219 1.394 1.206) 1.856 4.227 ( -0.331 1.586 0.859) 1.834 4.460 ( 0.575 0.145 0.151) 0.612 7.199 ( 1.012 -8.579 0.247) 8.642 7.260 ( -2.993 0.046 0.760) 3.089 7.584 ( -0.165 -7.567 1.379) 7.694 7.840 ( 0.072 -4.927 -0.159) 4.930 8.604 ( 1.267 -3.410 -0.357) 3.655 8.621 ( 1.402 -7.107 -0.633) 7.272 8.710 ( 0.434 1.092 -1.292) 1.746 8.777 ( 0.953 -2.359 -0.130) 2.548 8.895 ( 0.426 1.041 0.904) 1.443 8.941 ( -2.033 -2.171 1.199) 3.207 9.374 ( -1.224 -2.914 -0.466) 3.195 9.565 ( 0.649 2.441 0.666) 2.612 ======================= Grid point 453 (209/324) ======================= q-point: (-0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.370 -11.049 0.092) 11.055 1.472 ( 1.125 10.786 0.885) 10.881 1.883 ( 3.568 -0.925 -0.628) 3.739 1.919 ( -3.093 1.938 -0.817) 3.740 2.110 ( -0.376 1.427 0.604) 1.595 2.257 ( 1.292 3.991 -1.397) 4.421 2.362 ( 0.313 0.548 0.804) 1.022 2.474 ( -1.783 2.337 -0.669) 3.014 2.543 ( -1.683 0.218 -0.702) 1.837 2.721 ( 3.965 -2.413 3.247) 5.664 2.778 ( -0.171 -1.203 -1.153) 1.676 2.868 ( -2.116 5.053 -1.503) 5.681 2.905 ( -1.663 -2.897 0.759) 3.425 2.937 ( 2.948 -0.483 0.572) 3.041 3.094 ( -2.452 0.547 0.984) 2.698 3.353 ( 0.625 -3.067 -0.375) 3.153 3.406 ( 0.214 2.183 -3.139) 3.829 3.635 ( 1.720 -3.777 0.444) 4.174 3.741 ( 0.562 4.563 0.537) 4.629 3.862 ( -1.967 -0.098 -1.595) 2.534 4.045 ( -0.302 0.976 2.142) 2.373 4.114 ( 0.324 0.503 0.709) 0.928 4.216 ( -0.542 -0.574 0.281) 0.838 4.450 ( 0.110 0.999 0.042) 1.006 7.211 ( -0.716 3.256 1.255) 3.562 7.363 ( 0.442 -7.585 -0.445) 7.610 7.702 ( -0.028 -4.325 1.108) 4.465 7.858 ( -0.170 2.578 -0.529) 2.637 8.576 ( -0.175 4.096 0.188) 4.104 8.639 ( -0.570 5.080 -1.999) 5.489 8.770 ( 2.712 -5.105 -1.008) 5.868 8.802 ( 0.551 0.691 0.163) 0.899 8.851 ( -0.774 2.954 0.293) 3.068 8.997 ( -1.274 -3.121 1.475) 3.679 9.428 ( -0.488 -3.313 -0.341) 3.366 9.519 ( 0.295 2.945 0.557) 3.012 ======================= Grid point 454 (210/324) ======================= q-point: (-0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -0.766 9.485 0.257) 9.520 1.393 ( -0.598 -11.648 -0.576) 11.678 1.818 ( -2.090 6.285 0.566) 6.647 1.919 ( 2.145 -0.338 -1.785) 2.811 2.079 ( -0.341 1.889 0.167) 1.927 2.120 ( -0.144 10.065 -1.747) 10.216 2.354 ( -1.148 2.432 -0.315) 2.708 2.409 ( 0.378 1.141 -2.160) 2.472 2.517 ( -1.673 2.177 -0.845) 2.872 2.690 ( 1.029 4.698 0.539) 4.839 2.778 ( 0.302 1.813 -1.899) 2.643 2.840 ( -0.781 -1.174 1.903) 2.368 2.967 ( 7.272 0.563 3.065) 7.911 3.000 ( 1.780 -6.527 -0.165) 6.768 3.058 ( -6.631 0.326 0.077) 6.640 3.299 ( -1.466 2.437 -3.053) 4.173 3.468 ( 0.188 -2.959 0.358) 2.986 3.617 ( 1.995 7.655 1.083) 7.985 3.713 ( 0.670 -2.115 -0.172) 2.226 3.850 ( -0.784 0.768 -0.136) 1.105 4.015 ( 0.219 2.054 2.822) 3.497 4.110 ( -0.784 -0.311 -0.582) 1.025 4.240 ( -0.285 -1.828 0.177) 1.858 4.424 ( -0.082 1.789 -0.093) 1.793 7.133 ( -0.380 5.178 1.731) 5.473 7.480 ( 0.203 -4.651 -1.164) 4.799 7.735 ( -4.571 2.662 0.356) 5.301 7.757 ( 3.678 5.955 -0.561) 7.022 8.460 ( 0.706 8.454 -0.750) 8.517 8.524 ( -0.265 6.209 -0.935) 6.284 8.751 ( 0.479 4.920 0.049) 4.943 8.777 ( -0.789 3.302 -0.122) 3.397 8.841 ( 0.984 -0.523 -0.902) 1.434 9.029 ( -0.890 -0.474 1.409) 1.733 9.461 ( 0.300 2.568 0.481) 2.630 9.493 ( -0.389 -3.240 -0.323) 3.280 ======================= Grid point 455 (211/324) ======================= q-point: (-0.14 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -4.648 5.417 -0.872) 7.191 1.580 ( 2.284 -4.082 -0.955) 4.774 1.682 ( -3.599 3.330 3.535) 6.045 1.839 ( -4.107 11.174 -1.467) 11.995 1.975 ( 7.413 2.784 -2.096) 8.192 2.045 ( 0.798 1.839 -1.235) 2.354 2.267 ( -0.080 4.695 -3.596) 5.914 2.398 ( -0.457 2.498 -1.704) 3.059 2.465 ( 0.269 1.155 0.319) 1.228 2.620 ( -3.146 2.431 0.519) 4.010 2.742 ( 4.288 2.707 -1.379) 5.255 2.819 ( -0.203 3.285 0.109) 3.293 2.957 ( 1.512 3.883 2.710) 4.971 3.053 ( -1.806 -1.521 0.549) 2.424 3.134 ( 3.009 -5.263 0.103) 6.064 3.274 ( -1.848 -0.963 -0.203) 2.093 3.455 ( -1.256 6.525 1.425) 6.796 3.499 ( 1.854 2.465 -0.293) 3.098 3.731 ( 0.903 1.136 -0.087) 1.453 3.808 ( 0.863 3.744 0.075) 3.843 3.998 ( -0.971 0.168 2.373) 2.569 4.128 ( -0.495 -2.124 -1.250) 2.514 4.274 ( -0.251 -1.908 0.143) 1.929 4.380 ( 0.270 2.941 -0.188) 2.960 7.017 ( -0.707 7.456 2.085) 7.774 7.523 ( -0.484 2.981 -2.258) 3.771 7.535 ( -1.886 9.806 -0.616) 10.005 7.704 ( -0.726 4.202 0.277) 4.273 8.284 ( 1.084 9.954 -1.377) 10.108 8.402 ( 1.276 7.347 -0.028) 7.457 8.624 ( -1.470 7.681 0.012) 7.821 8.727 ( 2.110 2.434 -0.190) 3.227 8.808 ( -0.201 3.864 -0.957) 3.986 9.012 ( -0.921 1.951 1.524) 2.642 9.419 ( -0.174 1.681 0.188) 1.700 9.557 ( 0.068 -3.491 -0.153) 3.495 ======================= Grid point 456 (212/324) ======================= q-point: (-0.07 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -7.188 0.406 -1.719) 7.402 1.452 ( 0.301 10.605 6.127) 12.251 1.580 ( 1.150 13.642 0.180) 13.691 1.785 ( -1.130 -6.491 -0.566) 6.613 1.961 ( 2.851 2.770 -0.634) 4.025 2.044 ( 7.765 -0.855 -3.663) 8.628 2.177 ( 1.933 4.529 -4.220) 6.486 2.318 ( -1.936 3.548 -2.578) 4.795 2.466 ( -0.443 -0.117 0.064) 0.463 2.560 ( -3.890 2.640 1.025) 4.811 2.701 ( 4.244 4.623 -0.376) 6.287 2.751 ( -0.468 2.698 -0.500) 2.784 2.856 ( 0.820 7.975 1.114) 8.094 3.055 ( 1.921 2.057 1.129) 3.033 3.118 ( 0.043 9.132 1.812) 9.310 3.292 ( -0.225 0.165 2.959) 2.972 3.406 ( 1.126 -2.857 0.459) 3.105 3.474 ( 0.739 0.847 -1.287) 1.709 3.682 ( 1.457 4.179 -0.123) 4.427 3.741 ( 0.440 2.688 -1.278) 3.008 3.995 ( -3.371 -0.057 1.598) 3.731 4.150 ( 0.723 1.027 -1.128) 1.688 4.305 ( -0.722 -1.178 0.135) 1.388 4.339 ( 1.407 0.181 -0.228) 1.437 6.856 ( -1.319 9.746 2.108) 10.058 7.226 ( -1.715 18.230 -2.271) 18.451 7.476 ( -3.447 5.142 -0.724) 6.233 7.599 ( -1.137 5.631 -0.418) 5.760 8.119 ( 0.758 7.569 -1.000) 7.673 8.256 ( 1.814 8.957 0.302) 9.144 8.483 ( -0.766 6.082 0.118) 6.131 8.670 ( 1.030 6.496 -1.783) 6.815 8.741 ( 2.937 1.467 0.565) 3.331 8.959 ( -1.379 3.338 1.607) 3.953 9.399 ( -0.621 0.317 -0.087) 0.703 9.620 ( 0.231 -3.161 -0.020) 3.169 ======================= Grid point 461 (213/324) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -3.783 -0.000 -0.254) 3.792 1.156 ( -1.236 -0.000 -8.838) 8.924 1.359 ( 8.375 0.000 6.812) 10.796 1.629 ( 2.771 0.000 4.762) 5.510 1.684 ( 1.715 0.000 -0.717) 1.859 1.713 ( 1.437 0.000 -13.473) 13.550 1.851 ( -6.593 -0.000 -1.190) 6.699 2.159 ( 1.517 0.000 4.305) 4.565 2.286 ( 3.792 0.000 -5.552) 6.723 2.387 ( 14.734 0.000 -0.258) 14.736 2.482 ( 3.960 0.000 6.189) 7.348 2.607 ( -2.744 -0.000 -1.241) 3.012 2.778 ( -0.546 -0.000 3.408) 3.452 2.783 ( -1.318 -0.000 -3.384) 3.632 2.989 ( 3.972 0.000 4.762) 6.201 3.109 ( 8.158 0.000 -0.408) 8.169 3.127 ( -0.573 -0.000 0.079) 0.578 3.217 ( -1.217 -0.000 -2.076) 2.406 3.557 ( -4.802 -0.000 1.863) 5.151 3.909 ( -1.545 -0.000 -0.223) 1.561 3.934 ( -0.431 -0.000 0.224) 0.486 4.056 ( 1.595 0.000 0.385) 1.641 4.254 ( -3.403 -0.000 -0.323) 3.418 4.670 ( 1.036 0.000 -0.170) 1.050 5.372 ( 6.089 0.000 -0.745) 6.135 5.938 ( -7.572 -0.000 -0.290) 7.577 7.019 ( -14.916 -0.000 -2.455) 15.117 7.487 ( -3.189 -0.000 -0.923) 3.320 7.490 ( -0.759 -0.000 0.732) 1.054 7.904 ( 2.849 0.000 -0.565) 2.904 8.271 ( -3.321 -0.000 -0.407) 3.346 8.498 ( 4.681 0.000 -5.713) 7.386 8.774 ( 2.032 0.000 2.033) 2.874 9.038 ( 3.331 0.000 2.066) 3.920 9.400 ( -0.494 -0.000 -0.600) 0.777 9.764 ( -0.237 -0.000 0.563) 0.611 ======================= Grid point 462 (214/324) ======================= q-point: ( 0.36 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -1.143 -9.107 -3.778) 9.926 1.313 ( -0.704 -13.813 -2.202) 14.005 1.444 ( 3.618 -7.013 1.925) 8.122 1.596 ( 8.201 4.660 -3.924) 10.216 1.710 ( -4.145 -6.967 -3.456) 8.813 1.816 ( -4.664 -6.734 -1.118) 8.267 1.874 ( 0.620 -6.259 0.272) 6.295 2.200 ( 3.760 -2.727 1.780) 4.974 2.304 ( 1.497 -1.607 -4.367) 4.889 2.497 ( 12.335 -4.225 -1.151) 13.089 2.526 ( 5.645 -0.771 5.975) 8.256 2.594 ( -1.550 -0.362 -1.755) 2.369 2.790 ( 2.955 0.348 1.471) 3.319 2.806 ( -3.182 -3.279 -0.482) 4.594 2.938 ( 3.689 4.045 2.610) 6.064 3.137 ( -0.249 -0.142 -2.787) 2.802 3.248 ( 4.351 -4.379 0.508) 6.194 3.282 ( -1.205 -12.111 2.029) 12.339 3.492 ( -4.909 3.811 1.031) 6.300 3.853 ( -1.543 2.153 -0.336) 2.670 4.008 ( -0.282 -2.363 0.379) 2.410 4.031 ( 0.797 0.086 -0.049) 0.803 4.223 ( -1.042 2.020 -0.637) 2.361 4.633 ( 1.602 3.585 0.078) 3.927 5.662 ( 2.746 -24.536 -0.494) 24.694 6.016 ( -6.678 -11.790 -0.098) 13.550 6.927 ( -12.177 1.055 -2.542) 12.484 7.413 ( -0.985 1.205 -0.448) 1.619 7.613 ( -2.912 -8.074 0.164) 8.585 7.948 ( 1.646 -3.084 -0.453) 3.525 8.275 ( -2.038 -2.234 0.094) 3.025 8.519 ( 3.612 -1.623 -5.589) 6.850 8.785 ( 3.378 0.689 1.508) 3.763 9.036 ( 1.210 1.564 1.724) 2.624 9.385 ( 0.177 1.371 -0.395) 1.438 9.753 ( -0.345 1.094 0.645) 1.316 ======================= Grid point 463 (215/324) ======================= q-point: ( 0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.107 -0.931 -2.009) 2.217 1.438 ( -0.609 -2.452 0.953) 2.701 1.500 ( 6.650 -0.185 -1.230) 6.765 1.786 ( -1.030 -10.645 -2.945) 11.093 1.835 ( 0.943 -13.233 0.827) 13.292 1.961 ( -2.010 -8.518 -2.690) 9.156 2.019 ( 3.140 -7.452 5.248) 9.640 2.295 ( 0.277 -5.700 -5.420) 7.870 2.362 ( 2.170 -5.024 1.717) 5.736 2.573 ( 4.982 -0.664 0.913) 5.108 2.588 ( 2.277 -1.219 -2.120) 3.342 2.660 ( 5.577 -5.137 1.771) 7.786 2.772 ( 6.428 4.575 1.092) 7.965 2.825 ( -2.193 -1.372 -2.320) 3.475 2.971 ( 1.187 -5.568 1.180) 5.814 3.136 ( -3.714 -2.226 -3.357) 5.479 3.316 ( -4.907 1.504 1.062) 5.241 3.462 ( 2.398 -6.018 1.034) 6.560 3.520 ( -2.811 -11.224 1.930) 11.730 3.826 ( 1.445 0.660 -0.287) 1.614 3.934 ( 0.039 4.848 0.417) 4.866 4.146 ( 3.524 -6.204 -0.176) 7.138 4.178 ( -2.247 1.222 -0.749) 2.665 4.566 ( 1.766 4.567 0.287) 4.905 6.174 ( -0.628 -27.050 0.251) 27.059 6.282 ( -3.657 -18.919 0.037) 19.269 6.882 ( -9.317 -3.206 -1.549) 9.974 7.423 ( -0.610 -2.203 -0.704) 2.392 7.758 ( -2.371 -9.218 0.550) 9.534 8.025 ( 0.988 -4.589 -0.362) 4.708 8.341 ( -0.660 -5.412 0.505) 5.475 8.576 ( 2.948 -3.678 -4.774) 6.709 8.792 ( 3.661 0.589 1.161) 3.885 9.010 ( -0.160 1.551 1.143) 1.934 9.353 ( 0.037 1.924 -0.342) 1.955 9.724 ( -0.407 1.853 0.642) 2.003 ======================= Grid point 464 (216/324) ======================= q-point: ( 0.50 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.161 5.272 1.982) 5.635 1.491 ( -0.810 -4.675 0.553) 4.777 1.607 ( 5.182 -6.250 0.015) 8.118 1.915 ( -0.080 -6.902 -0.017) 6.902 2.044 ( 3.426 -4.419 0.748) 5.641 2.080 ( 2.044 -5.562 -1.370) 6.082 2.176 ( 3.458 -5.471 5.895) 8.755 2.362 ( -3.851 -2.888 -1.560) 5.060 2.500 ( 1.341 -4.320 0.192) 4.527 2.596 ( -0.846 -3.194 -4.392) 5.496 2.659 ( 9.174 -3.481 1.447) 9.918 2.723 ( 4.215 0.347 1.355) 4.441 2.741 ( 1.459 0.674 -0.793) 1.792 2.873 ( -3.261 -5.688 -2.561) 7.039 3.096 ( 0.449 -5.952 -2.015) 6.300 3.167 ( -4.452 -3.606 -0.722) 5.775 3.250 ( -4.758 0.865 -0.262) 4.843 3.610 ( 2.381 -6.422 1.119) 6.940 3.657 ( -5.231 -5.491 0.233) 7.587 3.785 ( 1.276 5.133 -0.394) 5.304 3.928 ( 5.078 -3.017 1.497) 6.093 4.151 ( -1.332 0.249 -0.399) 1.413 4.281 ( 2.488 -6.095 -0.106) 6.584 4.481 ( 1.157 5.339 0.420) 5.479 6.579 ( -0.414 -17.865 1.294) 17.917 6.655 ( -3.488 -18.639 -0.928) 18.985 6.997 ( -4.998 -14.864 0.384) 15.687 7.455 ( -1.028 -1.270 -0.827) 1.831 7.957 ( -0.256 -12.860 1.009) 12.902 8.134 ( 1.047 -6.828 -0.593) 6.933 8.460 ( 0.330 -6.952 0.478) 6.976 8.654 ( 1.115 -4.111 -3.443) 5.477 8.809 ( 3.666 -0.247 1.302) 3.898 8.986 ( -0.881 0.845 0.511) 1.323 9.319 ( -0.525 1.280 -0.382) 1.435 9.686 ( -0.271 2.159 0.621) 2.262 ======================= Grid point 465 (217/324) ======================= q-point: (-0.43 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 1.112 2.916 3.248) 4.505 1.592 ( -1.231 -5.918 2.196) 6.431 1.748 ( 3.793 -5.726 -0.116) 6.869 2.034 ( 5.388 -2.429 1.305) 6.053 2.104 ( 1.638 -2.766 -1.394) 3.504 2.168 ( 0.731 -2.729 1.679) 3.286 2.268 ( 2.798 -2.344 3.233) 4.876 2.361 ( -3.530 -0.104 1.778) 3.954 2.515 ( 1.490 -0.098 -1.516) 2.128 2.672 ( -1.181 -4.396 -3.259) 5.598 2.708 ( -3.389 1.657 0.451) 3.799 2.766 ( 2.092 -3.537 -0.112) 4.111 2.790 ( 10.383 -2.663 1.150) 10.780 2.965 ( -4.757 -5.623 -1.153) 7.455 3.130 ( -3.445 -0.212 -0.249) 3.461 3.229 ( -1.379 -0.143 -3.281) 3.562 3.270 ( -2.022 -7.761 0.018) 8.020 3.692 ( 1.810 4.014 -0.296) 4.413 3.713 ( -2.103 -3.378 -0.049) 3.979 3.725 ( -0.898 -4.423 -1.277) 4.691 4.011 ( 4.912 -1.859 1.397) 5.435 4.147 ( -2.008 -0.444 0.277) 2.075 4.364 ( 3.021 2.719 0.533) 4.099 4.408 ( -0.449 -1.150 0.204) 1.252 6.841 ( 0.589 -10.199 -0.176) 10.217 6.942 ( -4.595 -16.519 1.509) 17.213 7.338 ( -0.031 -18.719 0.817) 18.737 7.461 ( -1.210 -1.226 -0.573) 1.815 8.218 ( 1.713 -13.544 0.817) 13.677 8.289 ( 0.321 -9.718 -0.718) 9.750 8.592 ( 1.506 -6.250 0.132) 6.430 8.713 ( -1.224 -2.651 -2.069) 3.579 8.840 ( 2.684 -0.952 1.716) 3.325 8.971 ( -0.639 0.577 0.028) 0.862 9.304 ( -0.984 -0.282 -0.477) 1.130 9.646 ( 0.030 2.108 0.635) 2.202 ======================= Grid point 466 (218/324) ======================= q-point: (-0.36 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 1.030 -2.642 2.419) 3.727 1.688 ( -0.180 -3.413 1.994) 3.957 1.837 ( 3.680 -1.762 -0.565) 4.119 2.007 ( 2.036 5.575 1.124) 6.040 2.147 ( -0.160 0.289 1.171) 1.217 2.235 ( 0.043 -4.923 -0.039) 4.923 2.348 ( 2.515 -2.503 0.492) 3.582 2.374 ( 0.458 -3.383 1.805) 3.861 2.540 ( 0.577 -2.059 -0.921) 2.328 2.649 ( -2.590 1.845 1.282) 3.429 2.742 ( -1.808 -3.462 -1.720) 4.268 2.838 ( -0.334 -2.899 0.301) 2.934 2.860 ( 5.857 0.262 2.812) 6.502 3.022 ( -1.470 -3.876 0.124) 4.147 3.093 ( -2.824 2.881 -0.768) 4.107 3.215 ( -1.496 -0.767 -4.094) 4.426 3.416 ( 0.514 -7.659 -0.024) 7.677 3.608 ( 0.661 5.186 -1.067) 5.336 3.760 ( -2.127 -2.484 -0.180) 3.276 3.810 ( -0.010 -4.479 -1.970) 4.893 4.041 ( 2.331 0.556 0.922) 2.567 4.143 ( -1.370 0.096 0.682) 1.533 4.287 ( 0.829 4.313 1.085) 4.524 4.452 ( 0.440 -1.475 0.118) 1.544 7.023 ( -0.421 -9.818 0.022) 9.827 7.184 ( -1.573 -8.998 1.658) 9.284 7.468 ( 0.324 -3.614 0.397) 3.650 7.670 ( 0.045 -13.332 0.240) 13.334 8.446 ( 2.538 -10.235 -0.755) 10.572 8.492 ( -0.421 -10.413 0.225) 10.424 8.695 ( 2.168 -3.357 -0.409) 4.017 8.736 ( -2.091 -1.537 -0.988) 2.777 8.874 ( 0.494 -1.497 1.928) 2.490 8.951 ( -0.311 1.423 0.025) 1.457 9.320 ( -0.720 -2.014 -0.543) 2.207 9.610 ( 0.181 2.041 0.662) 2.153 ======================= Grid point 467 (219/324) ======================= q-point: (-0.29 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.579 -7.772 1.052) 7.864 1.661 ( -0.093 7.414 0.924) 7.472 1.874 ( 4.349 -1.243 0.607) 4.563 1.935 ( -1.889 1.606 -0.787) 2.602 2.134 ( -0.678 0.888 0.805) 1.377 2.288 ( 1.196 -0.448 -1.235) 1.776 2.377 ( 0.800 -0.441 1.206) 1.513 2.463 ( 0.436 -2.913 0.083) 2.947 2.554 ( -0.415 1.113 -0.997) 1.551 2.668 ( 0.852 -4.091 4.258) 5.966 2.763 ( -0.294 -0.218 -0.476) 0.600 2.843 ( -4.423 -0.996 0.523) 4.564 2.898 ( -0.113 -1.281 0.101) 1.290 2.996 ( 0.968 5.135 -1.832) 5.537 3.103 ( 2.464 -1.575 2.283) 3.710 3.247 ( -0.763 -4.963 -3.019) 5.859 3.493 ( -1.791 5.292 -1.617) 5.816 3.552 ( 2.326 -5.090 -0.609) 5.629 3.784 ( -1.098 -0.673 0.709) 1.470 3.852 ( -0.698 -0.163 -2.213) 2.326 4.042 ( 0.012 -0.421 0.975) 1.062 4.133 ( -0.258 0.679 1.018) 1.251 4.230 ( 0.246 2.183 0.858) 2.358 4.463 ( 0.057 0.248 0.135) 0.288 7.202 ( -0.781 -9.359 0.075) 9.392 7.250 ( 0.465 0.399 0.926) 1.110 7.590 ( 0.114 -7.473 1.278) 7.582 7.840 ( 0.167 -4.779 -0.177) 4.785 8.608 ( 0.405 -1.613 0.046) 1.664 8.636 ( 1.331 -8.662 -1.406) 8.876 8.705 ( -0.240 1.532 -1.114) 1.910 8.782 ( 0.111 -2.883 -0.105) 2.887 8.900 ( -0.237 1.461 1.040) 1.809 8.932 ( -0.772 -2.103 1.174) 2.529 9.366 ( 0.023 -3.001 -0.468) 3.037 9.571 ( -0.060 2.411 0.639) 2.495 ======================= Grid point 468 (220/324) ======================= q-point: (-0.21 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.163 -10.687 0.158) 10.689 1.471 ( -2.155 11.143 0.979) 11.392 1.893 ( -1.146 2.630 -1.166) 3.097 1.921 ( 4.147 -0.984 -0.746) 4.327 2.110 ( -0.313 1.529 0.668) 1.697 2.262 ( 0.784 4.401 -1.467) 4.704 2.369 ( 0.372 0.917 0.927) 1.356 2.455 ( -1.530 2.907 -0.219) 3.292 2.532 ( 0.113 0.678 -0.464) 0.829 2.735 ( -2.813 -2.251 1.846) 4.048 2.791 ( 3.389 0.605 -1.270) 3.669 2.839 ( -5.033 1.455 0.737) 5.290 2.886 ( 0.958 -3.704 -0.464) 3.854 2.977 ( 2.336 -1.411 0.657) 2.807 3.097 ( 2.937 3.108 0.635) 4.323 3.350 ( -0.667 -0.942 -0.585) 1.294 3.387 ( -1.829 -0.349 -2.075) 2.788 3.651 ( 1.358 -4.231 -0.440) 4.466 3.752 ( 0.947 4.714 0.421) 4.826 3.838 ( -1.489 -0.601 -0.829) 1.807 4.050 ( -0.230 0.448 1.774) 1.844 4.118 ( -0.271 1.020 0.661) 1.245 4.215 ( 0.017 -0.380 0.330) 0.504 4.450 ( -0.127 1.067 0.041) 1.075 7.214 ( 0.459 3.264 1.166) 3.496 7.360 ( -0.762 -7.584 -0.365) 7.631 7.701 ( -1.134 -3.701 1.127) 4.031 7.859 ( 0.712 2.425 -0.523) 2.580 8.582 ( 1.264 3.977 0.289) 4.183 8.630 ( 0.396 5.179 -2.032) 5.578 8.772 ( -1.481 -4.121 -0.996) 4.491 8.811 ( 1.259 -0.376 -0.290) 1.346 8.846 ( -0.448 3.181 0.491) 3.250 8.993 ( -0.618 -3.028 1.625) 3.491 9.426 ( 0.540 -3.366 -0.306) 3.423 9.520 ( -0.500 3.021 0.518) 3.106 ======================= Grid point 469 (221/324) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -6.536 8.967 0.326) 11.101 1.404 ( 2.295 -10.408 0.017) 10.658 1.807 ( -0.279 6.152 0.102) 6.159 1.936 ( 2.163 1.666 -1.662) 3.196 2.079 ( 0.085 1.770 0.144) 1.778 2.127 ( 3.079 8.870 -0.811) 9.424 2.343 ( -0.609 3.686 -0.381) 3.755 2.402 ( -0.355 0.169 -1.685) 1.730 2.513 ( 1.282 1.996 0.138) 2.376 2.681 ( -2.383 5.135 0.056) 5.662 2.782 ( 1.604 0.601 -1.554) 2.313 2.836 ( -1.927 -1.544 1.371) 2.824 2.976 ( -3.653 -2.622 -0.081) 4.497 3.030 ( 0.507 -1.473 -0.777) 1.741 3.064 ( 7.546 -0.920 2.887) 8.131 3.281 ( 0.195 2.562 -1.939) 3.220 3.452 ( -3.444 -2.778 0.128) 4.427 3.636 ( 1.268 7.288 -0.130) 7.399 3.725 ( 1.617 -2.322 -0.402) 2.858 3.846 ( 0.030 0.036 0.452) 0.455 4.026 ( -0.193 2.087 2.474) 3.243 4.102 ( -0.413 0.101 -0.415) 0.594 4.238 ( -0.212 -1.786 0.219) 1.811 4.424 ( 0.143 1.712 -0.049) 1.718 7.138 ( 0.056 5.418 1.618) 5.654 7.469 ( -1.546 -4.686 -1.063) 5.048 7.687 ( -5.137 4.728 0.532) 7.002 7.789 ( 3.048 4.732 -0.386) 5.642 8.470 ( 1.863 8.843 -0.973) 9.089 8.529 ( 1.999 5.599 -0.634) 5.979 8.733 ( -2.787 4.689 -0.200) 5.458 8.790 ( 2.235 2.961 0.326) 3.724 8.841 ( -0.275 -0.208 -1.213) 1.261 9.025 ( -1.090 -0.373 1.545) 1.927 9.461 ( -0.710 2.856 0.327) 2.961 9.493 ( 0.653 -3.485 -0.151) 3.549 ======================= Grid point 470 (222/324) ======================= q-point: (-0.07 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -7.824 6.018 -0.179) 9.873 1.604 ( 2.737 -6.516 -0.965) 7.133 1.672 ( -1.151 5.766 3.461) 6.823 1.817 ( 0.240 10.470 -0.208) 10.474 2.030 ( 2.997 3.034 -0.203) 4.270 2.073 ( 7.282 0.816 -1.495) 7.479 2.259 ( 1.256 4.289 -3.388) 5.608 2.383 ( -1.324 2.874 -1.656) 3.571 2.476 ( 1.808 2.083 0.527) 2.808 2.588 ( -3.145 2.829 0.451) 4.253 2.770 ( 2.012 1.509 -1.555) 2.957 2.822 ( 0.755 3.449 0.236) 3.538 2.935 ( -5.711 1.829 0.418) 6.011 3.060 ( 2.213 -0.686 0.405) 2.352 3.185 ( 4.292 -5.049 0.911) 6.689 3.264 ( 0.736 0.021 0.790) 1.079 3.436 ( -2.665 2.715 0.182) 3.808 3.513 ( 1.056 4.942 -0.478) 5.077 3.748 ( 2.387 1.163 -0.099) 2.658 3.815 ( 0.701 3.613 -0.311) 3.693 3.993 ( -1.871 1.311 2.300) 3.241 4.121 ( 0.101 -2.280 -0.736) 2.398 4.272 ( -0.304 -1.905 0.172) 1.937 4.386 ( 1.007 2.650 -0.086) 2.836 7.017 ( -0.875 7.754 1.943) 8.041 7.489 ( -4.793 9.552 -1.341) 10.770 7.516 ( -1.479 2.148 -0.720) 2.705 7.697 ( -0.945 6.378 0.278) 6.454 8.296 ( 2.287 10.083 -1.275) 10.418 8.425 ( 3.387 7.359 -0.028) 8.101 8.604 ( -2.156 7.149 -0.090) 7.467 8.757 ( 3.647 2.477 -0.347) 4.422 8.802 ( -0.227 3.309 -0.498) 3.354 9.004 ( -1.939 1.984 1.388) 3.102 9.414 ( -0.945 1.705 0.023) 1.949 9.561 ( 0.667 -3.392 0.038) 3.457 ======================= Grid point 476 (223/324) ======================= q-point: ( 0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -2.399 -0.000 0.195) 2.406 1.097 ( -2.877 -0.000 -10.018) 10.423 1.413 ( 0.139 0.000 -3.340) 3.343 1.595 ( -3.910 -0.000 -5.773) 6.972 1.700 ( 5.309 0.000 -6.692) 8.542 1.764 ( -8.275 -0.000 -4.021) 9.200 1.780 ( 8.402 0.000 10.239) 13.245 2.195 ( 1.898 0.000 4.913) 5.267 2.291 ( 2.384 0.000 -5.660) 6.142 2.511 ( 8.917 0.000 -0.537) 8.933 2.559 ( 4.775 0.000 -0.479) 4.799 2.593 ( 2.276 0.000 5.648) 6.090 2.746 ( -2.513 -0.000 -5.126) 5.709 2.801 ( 1.738 0.000 5.941) 6.190 3.028 ( 0.893 0.000 3.084) 3.210 3.122 ( -0.537 -0.000 -0.057) 0.540 3.147 ( -0.953 -0.000 -2.583) 2.754 3.246 ( 8.005 0.000 1.026) 8.071 3.515 ( -4.587 -0.000 2.152) 5.066 3.894 ( -1.163 -0.000 -0.212) 1.182 3.907 ( -4.726 -0.000 -0.061) 4.727 4.050 ( -2.728 -0.000 -0.009) 2.728 4.261 ( 4.363 0.000 -0.239) 4.370 4.676 ( 0.307 0.000 -0.124) 0.331 5.430 ( 6.216 0.000 -0.953) 6.289 5.861 ( -7.454 -0.000 -0.185) 7.456 6.873 ( -11.815 -0.000 -3.490) 12.320 7.454 ( -2.597 -0.000 -1.236) 2.876 7.487 ( -0.511 -0.000 0.721) 0.883 7.927 ( 2.123 0.000 -0.582) 2.201 8.245 ( -1.714 -0.000 0.446) 1.771 8.500 ( 0.600 0.000 -5.820) 5.851 8.821 ( 5.944 0.000 1.078) 6.041 9.052 ( -1.775 -0.000 1.339) 2.223 9.404 ( 1.461 0.000 0.044) 1.462 9.763 ( -0.385 -0.000 0.790) 0.879 ======================= Grid point 477 (224/324) ======================= q-point: ( 0.43 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.388 -9.597 -2.641) 9.961 1.273 ( -4.509 -16.737 -3.375) 17.660 1.443 ( -1.934 -8.300 -6.738) 10.864 1.605 ( -1.211 1.681 -7.041) 7.340 1.708 ( 4.101 -4.974 -2.658) 6.973 1.762 ( -3.943 -5.863 0.389) 7.076 1.920 ( 5.227 -6.461 7.241) 11.022 2.237 ( 2.515 -1.958 0.754) 3.276 2.306 ( 1.584 -2.060 -2.171) 3.386 2.539 ( -0.867 -0.797 -3.006) 3.228 2.610 ( 5.482 -3.356 0.829) 6.481 2.632 ( 8.625 0.106 4.858) 9.900 2.759 ( -4.049 -3.230 -3.713) 6.373 2.837 ( 3.589 -0.688 4.832) 6.058 2.975 ( 2.225 3.546 1.215) 4.359 3.099 ( -3.663 0.663 -3.790) 5.312 3.267 ( -2.038 -8.353 2.243) 8.885 3.308 ( 3.302 -4.132 0.549) 5.318 3.460 ( -1.365 2.556 1.788) 3.405 3.839 ( -0.845 0.961 -0.166) 1.290 4.002 ( -4.422 -5.758 -0.309) 7.267 4.006 ( -0.952 1.218 0.180) 1.557 4.244 ( 4.301 3.593 -0.712) 5.649 4.645 ( 0.885 2.985 0.100) 3.115 5.693 ( 3.475 -22.423 -0.406) 22.694 5.953 ( -5.689 -12.872 0.023) 14.073 6.809 ( -9.038 -0.023 -3.166) 9.577 7.401 ( -0.859 0.797 -0.673) 1.352 7.590 ( -1.775 -7.641 0.203) 7.847 7.961 ( 1.255 -2.637 -0.501) 2.963 8.264 ( -0.488 -2.613 0.912) 2.810 8.511 ( -0.341 -2.431 -5.565) 6.083 8.842 ( 6.815 1.242 0.733) 6.966 9.029 ( -3.394 1.125 0.864) 3.679 9.394 ( 1.495 1.821 0.183) 2.363 9.752 ( -0.404 1.131 0.811) 1.449 ======================= Grid point 478 (225/324) ======================= q-point: (-0.50 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.391 -1.160 -0.361) 1.276 1.400 ( -5.730 -4.608 -3.157) 8.002 1.546 ( 4.663 -1.669 -2.440) 5.521 1.764 ( -1.041 -12.517 -2.700) 12.847 1.868 ( 3.049 -13.010 1.929) 13.502 1.920 ( -2.611 -10.853 -3.108) 11.587 2.090 ( 5.174 -7.044 8.017) 11.860 2.273 ( -0.337 -2.472 -4.815) 5.423 2.397 ( 2.796 -5.892 2.007) 6.823 2.546 ( -1.843 -1.654 -3.995) 4.701 2.666 ( 4.875 -0.209 4.345) 6.534 2.715 ( 4.937 -2.639 -0.044) 5.599 2.775 ( -4.444 -1.018 -2.567) 5.232 2.846 ( 5.220 3.053 1.399) 6.207 2.982 ( 0.324 -4.404 0.253) 4.424 3.086 ( -2.799 -2.157 -4.094) 5.408 3.260 ( -6.544 2.708 1.009) 7.153 3.477 ( -0.959 -9.263 1.361) 9.412 3.518 ( 1.435 -6.608 1.747) 6.984 3.852 ( 3.700 -0.745 0.079) 3.775 3.922 ( -2.597 3.085 0.205) 4.037 4.131 ( -2.289 -5.379 -0.102) 5.847 4.205 ( 3.904 0.484 -0.939) 4.044 4.581 ( 1.040 4.476 0.266) 4.603 6.177 ( 0.744 -25.162 0.559) 25.179 6.252 ( -2.200 -20.855 -0.120) 20.971 6.799 ( -5.877 -4.303 -1.732) 7.487 7.415 ( -0.349 -2.105 -0.785) 2.274 7.743 ( -1.181 -9.778 0.628) 9.870 8.032 ( 0.831 -4.591 -0.495) 4.692 8.343 ( 0.287 -5.520 1.211) 5.659 8.563 ( -0.939 -4.387 -4.804) 6.573 8.852 ( 6.853 1.382 0.831) 7.040 8.990 ( -4.136 0.924 0.369) 4.254 9.357 ( 0.741 2.539 0.049) 2.645 9.723 ( -0.326 1.849 0.712) 2.008 ======================= Grid point 479 (226/324) ======================= q-point: (-0.43 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 1.178 4.426 2.541) 5.238 1.466 ( -3.644 -6.322 -1.076) 7.376 1.656 ( 4.893 -6.086 -0.663) 7.837 1.920 ( 0.564 -7.836 0.282) 7.861 2.048 ( -2.724 -6.031 -0.082) 6.618 2.115 ( 5.234 -5.796 0.631) 7.835 2.242 ( 4.124 -4.433 7.386) 9.551 2.319 ( -2.878 -3.328 -2.843) 5.238 2.519 ( 1.957 -2.834 0.670) 3.508 2.568 ( -0.703 -3.580 -4.372) 5.694 2.709 ( 1.028 -2.183 0.162) 2.418 2.727 ( -1.655 1.462 0.632) 2.296 2.793 ( 3.053 -3.494 0.087) 4.641 2.839 ( 0.294 -1.899 -1.658) 2.538 3.102 ( 1.745 -5.587 -0.976) 5.934 3.119 ( -4.028 -3.554 -1.829) 5.674 3.198 ( -5.275 -0.129 -0.185) 5.280 3.612 ( -2.101 -5.558 0.313) 5.950 3.640 ( 1.261 -5.325 0.902) 5.546 3.793 ( 0.479 5.459 -0.428) 5.496 3.972 ( 2.605 -4.758 1.462) 5.618 4.138 ( -0.502 0.584 -0.503) 0.920 4.301 ( 1.252 -6.168 -0.250) 6.298 4.491 ( 0.597 5.575 0.411) 5.622 6.581 ( -0.844 -19.912 1.397) 19.979 6.628 ( -0.352 -15.277 -1.084) 15.320 6.966 ( -1.517 -17.393 0.370) 17.463 7.446 ( -0.167 -1.067 -0.810) 1.350 7.960 ( 0.087 -13.635 1.017) 13.673 8.141 ( 0.696 -6.775 -0.742) 6.851 8.469 ( 0.781 -7.151 1.080) 7.274 8.633 ( -1.810 -4.332 -3.422) 5.810 8.864 ( 5.240 0.806 1.308) 5.461 8.963 ( -3.373 -0.128 -0.212) 3.382 9.316 ( -0.055 1.815 -0.152) 1.823 9.686 ( -0.102 2.073 0.618) 2.165 ======================= Grid point 480 (227/324) ======================= q-point: (-0.36 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 2.112 3.002 2.759) 4.592 1.588 ( -0.813 -7.229 1.606) 7.449 1.780 ( 3.214 -4.932 -1.150) 5.998 2.073 ( 0.084 -6.125 1.407) 6.285 2.112 ( 0.463 -3.036 -0.378) 3.094 2.165 ( -2.106 1.743 1.980) 3.375 2.308 ( 3.047 -1.778 2.164) 4.139 2.356 ( 1.400 -1.501 1.746) 2.694 2.520 ( 1.103 0.222 -2.364) 2.618 2.647 ( -1.712 -3.439 -1.643) 4.178 2.677 ( -3.157 0.856 1.194) 3.482 2.772 ( -0.536 -3.698 -0.842) 3.831 2.895 ( 8.504 -3.392 -0.065) 9.156 2.915 ( -3.860 -4.751 0.560) 6.147 3.104 ( -1.858 0.495 0.355) 1.955 3.176 ( -5.317 -2.151 -3.719) 6.836 3.269 ( 1.185 -7.693 -0.291) 7.789 3.691 ( -1.270 -3.467 0.081) 3.693 3.699 ( -0.027 4.269 -0.257) 4.277 3.725 ( 0.910 -3.813 -1.130) 4.080 4.049 ( 0.923 -1.681 1.158) 2.241 4.133 ( -0.118 -0.221 0.093) 0.267 4.388 ( 0.217 5.600 0.654) 5.642 4.403 ( 0.370 -4.051 -0.051) 4.068 6.834 ( -1.879 -10.167 -0.295) 10.344 6.933 ( 1.605 -16.727 1.613) 16.881 7.347 ( 1.051 -19.826 0.680) 19.865 7.453 ( 0.090 -0.550 -0.645) 0.852 8.235 ( 0.922 -14.516 0.959) 14.577 8.288 ( 0.055 -8.996 -1.083) 9.061 8.607 ( 1.255 -6.616 0.598) 6.761 8.684 ( -2.440 -2.714 -1.868) 4.100 8.874 ( 1.763 0.239 1.483) 2.316 8.958 ( -1.129 -0.260 -0.319) 1.202 9.297 ( -0.137 -0.053 -0.363) 0.391 9.649 ( 0.034 2.023 0.588) 2.107 ======================= Grid point 481 (228/324) ======================= q-point: (-0.29 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 1.938 -1.964 1.703) 3.243 1.701 ( 1.270 -3.156 1.651) 3.781 1.862 ( 2.401 -2.690 -1.646) 3.963 2.013 ( -1.735 7.407 1.064) 7.681 2.130 ( -4.753 -0.486 2.335) 5.318 2.234 ( 0.186 -5.845 -0.540) 5.873 2.379 ( 3.523 -0.103 0.893) 3.636 2.395 ( 2.555 -4.122 -0.373) 4.864 2.542 ( 0.862 -2.143 -1.222) 2.614 2.630 ( -3.087 0.169 2.753) 4.139 2.721 ( -1.122 -3.531 -1.018) 3.843 2.827 ( -2.105 -2.015 0.172) 2.919 2.901 ( -0.584 2.944 2.879) 4.159 3.023 ( 1.461 -6.423 0.833) 6.639 3.075 ( 0.681 2.412 -2.462) 3.513 3.190 ( -0.236 -1.733 -3.100) 3.559 3.421 ( 0.453 -7.440 -0.215) 7.457 3.604 ( -0.561 5.190 -0.926) 5.302 3.741 ( -1.676 -2.480 0.077) 2.994 3.805 ( 0.461 -3.976 -1.458) 4.260 4.052 ( -1.160 0.868 0.539) 1.546 4.139 ( 0.357 0.028 0.791) 0.869 4.296 ( 0.290 4.286 0.797) 4.369 4.453 ( -0.227 -1.468 0.077) 1.488 7.015 ( -1.299 -10.079 0.305) 10.167 7.195 ( 2.552 -8.620 1.279) 9.080 7.475 ( 0.816 -3.643 0.238) 3.741 7.674 ( 0.509 -13.249 0.134) 13.259 8.458 ( 0.353 -9.827 -1.274) 9.915 8.491 ( 0.134 -10.914 0.399) 10.922 8.702 ( -3.034 -1.242 -0.814) 3.378 8.718 ( 1.910 -3.996 -0.088) 4.430 8.887 ( 0.471 -0.939 1.559) 1.880 8.945 ( -1.004 1.282 0.059) 1.630 9.318 ( 0.655 -2.059 -0.470) 2.212 9.612 ( -0.209 2.060 0.591) 2.153 ======================= Grid point 482 (229/324) ======================= q-point: (-0.21 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 1.613 -7.138 0.673) 7.349 1.653 ( -2.296 8.532 0.963) 8.888 1.908 ( 1.411 -1.317 -1.830) 2.660 1.923 ( 1.187 1.132 0.773) 1.813 2.122 ( -2.261 -0.074 0.849) 2.416 2.290 ( 0.236 -0.622 -1.623) 1.754 2.394 ( 1.665 0.676 0.808) 1.970 2.461 ( -0.532 -2.212 -0.220) 2.285 2.553 ( 0.954 0.998 -0.558) 1.489 2.675 ( -2.485 -3.702 3.744) 5.822 2.775 ( 2.134 -2.687 -0.296) 3.444 2.793 ( -5.426 1.081 0.877) 5.602 2.892 ( -0.675 -0.456 0.791) 1.135 3.004 ( 1.736 3.149 -2.376) 4.310 3.149 ( 4.462 -1.714 2.382) 5.341 3.230 ( 0.169 -4.909 -3.051) 5.782 3.464 ( -3.060 4.739 -0.737) 5.689 3.568 ( 1.315 -4.251 -1.428) 4.674 3.779 ( -0.329 -1.949 1.184) 2.304 3.836 ( -0.976 0.639 -1.682) 2.047 4.041 ( -0.825 -0.696 0.773) 1.328 4.134 ( -0.417 0.735 0.989) 1.301 4.238 ( 0.620 2.360 0.598) 2.512 4.462 ( -0.478 0.217 0.094) 0.533 7.188 ( -1.862 -8.764 0.529) 8.975 7.272 ( 3.181 0.321 0.427) 3.226 7.596 ( 0.363 -7.127 1.069) 7.216 7.841 ( 0.253 -4.690 -0.210) 4.701 8.615 ( 0.925 -2.379 -0.192) 2.560 8.630 ( -0.990 -7.676 -1.605) 7.904 8.697 ( -0.728 0.580 -0.660) 1.141 8.780 ( -0.176 -2.605 -0.346) 2.634 8.899 ( -0.817 2.371 0.800) 2.632 8.935 ( 0.427 -2.894 1.433) 3.257 9.371 ( 1.284 -2.974 -0.374) 3.261 9.569 ( -0.773 2.499 0.551) 2.673 ======================= Grid point 483 (230/324) ======================= q-point: (-0.14 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.781 -9.434 0.140) 9.467 1.441 ( -4.307 10.753 1.167) 11.642 1.885 ( 0.488 2.485 -1.717) 3.059 1.956 ( 3.512 -0.615 -0.979) 3.697 2.108 ( -0.614 1.054 0.609) 1.364 2.262 ( 0.356 3.857 -1.467) 4.142 2.374 ( -0.067 0.994 0.266) 1.031 2.446 ( -0.298 3.636 0.905) 3.758 2.544 ( 2.177 0.750 0.270) 2.318 2.708 ( -3.351 -1.544 0.811) 3.777 2.775 ( -6.847 -1.918 0.075) 7.111 2.820 ( 2.678 2.018 -0.302) 3.367 2.914 ( 3.215 -3.458 0.714) 4.776 2.985 ( 0.427 -0.503 -1.270) 1.431 3.150 ( 5.968 3.105 1.279) 6.848 3.338 ( -1.456 -2.373 -0.243) 2.794 3.355 ( -2.813 0.784 -1.694) 3.376 3.655 ( 0.031 -4.416 -1.136) 4.560 3.758 ( 0.141 4.632 -0.493) 4.661 3.833 ( 0.704 -1.502 0.650) 1.782 4.054 ( -0.422 0.146 1.542) 1.606 4.114 ( -0.849 0.976 0.553) 1.407 4.219 ( 0.463 0.042 0.335) 0.573 4.448 ( -0.282 0.922 0.033) 0.964 7.228 ( 1.312 3.353 1.054) 3.752 7.346 ( -1.677 -6.837 -0.258) 7.044 7.691 ( -1.560 -2.133 1.105) 2.864 7.866 ( 1.068 1.609 -0.478) 1.989 8.602 ( 2.303 3.663 0.285) 4.336 8.631 ( 1.400 4.592 -1.951) 5.182 8.744 ( -3.035 -2.884 -0.848) 4.272 8.811 ( -1.084 -1.346 -0.689) 1.861 8.849 ( 0.596 2.456 0.528) 2.582 8.997 ( 0.119 -2.465 1.702) 2.998 9.435 ( 1.372 -3.217 -0.194) 3.503 9.513 ( -1.218 3.020 0.433) 3.285 ======================= Grid point 484 (231/324) ======================= q-point: (-0.07 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -7.732 9.123 0.374) 11.964 1.433 ( 3.214 -9.734 0.747) 10.278 1.809 ( 0.481 5.800 -0.568) 5.848 1.948 ( 1.517 3.408 -0.993) 3.860 2.082 ( 0.503 1.700 0.337) 1.804 2.169 ( 5.114 5.446 -0.292) 7.477 2.341 ( 0.487 4.267 -0.091) 4.295 2.388 ( -1.128 0.316 -1.311) 1.758 2.542 ( 3.715 1.464 1.110) 4.145 2.653 ( -2.675 5.001 -0.852) 5.735 2.794 ( 0.897 0.890 0.026) 1.264 2.808 ( -3.763 -3.197 0.156) 4.940 2.954 ( -0.827 2.057 0.414) 2.256 3.027 ( -0.127 -4.299 -2.726) 5.092 3.136 ( 4.157 0.273 3.290) 5.309 3.297 ( 4.246 1.256 -0.987) 4.537 3.407 ( -5.283 -2.675 -0.217) 5.926 3.638 ( -0.373 6.180 -1.278) 6.322 3.741 ( 1.937 -2.607 -0.385) 3.271 3.855 ( 1.197 0.362 0.624) 1.398 4.029 ( -0.844 2.178 1.919) 3.023 4.100 ( 0.064 0.068 0.123) 0.154 4.237 ( -0.228 -1.592 0.257) 1.629 4.427 ( 0.428 1.388 0.008) 1.453 7.147 ( 0.453 5.998 1.438) 6.185 7.440 ( -3.372 -4.493 -0.852) 5.682 7.642 ( -4.447 5.923 0.874) 7.458 7.813 ( 2.078 4.840 -0.318) 5.277 8.488 ( 2.596 8.964 -1.221) 9.412 8.558 ( 4.132 4.895 -0.278) 6.412 8.703 ( -3.054 4.313 -0.193) 5.288 8.814 ( 1.984 1.573 0.618) 2.607 8.828 ( -0.913 0.280 -1.517) 1.792 9.019 ( -1.478 0.231 1.589) 2.183 9.451 ( -1.439 2.698 0.073) 3.059 9.504 ( 1.336 -3.222 0.137) 3.491 ======================= Grid point 491 (232/324) ======================= q-point: (-0.57 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.546 -0.000 0.488) 0.733 1.023 ( -4.513 -0.000 -8.705) 9.805 1.345 ( -7.492 -0.000 -9.780) 12.320 1.533 ( -3.361 -0.000 -6.446) 7.269 1.670 ( -5.684 -0.000 -6.369) 8.536 1.756 ( 7.354 0.000 -0.191) 7.356 1.903 ( 7.867 0.000 10.402) 13.041 2.233 ( 1.805 0.000 4.695) 5.030 2.289 ( 1.110 0.000 -5.066) 5.186 2.525 ( -2.101 -0.000 -1.045) 2.346 2.596 ( 3.094 0.000 0.519) 3.137 2.684 ( 7.224 0.000 6.006) 9.395 2.694 ( -3.533 -0.000 -6.238) 7.169 2.861 ( 5.163 0.000 6.386) 8.212 3.031 ( -1.968 -0.000 0.588) 2.054 3.113 ( -3.101 -0.000 -1.197) 3.324 3.116 ( -0.395 -0.000 -0.284) 0.487 3.315 ( 3.223 0.000 0.460) 3.256 3.501 ( 0.718 0.000 2.185) 2.300 3.854 ( -4.794 -0.000 -0.069) 4.795 3.885 ( -0.591 -0.000 -0.180) 0.617 4.021 ( -2.380 -0.000 -0.233) 2.391 4.309 ( 4.351 0.000 -0.387) 4.368 4.677 ( -0.064 -0.000 0.010) 0.065 5.481 ( 4.578 0.000 -1.203) 4.733 5.795 ( -5.265 -0.000 0.048) 5.265 6.762 ( -7.547 -0.000 -3.751) 8.427 7.427 ( -1.643 -0.000 -1.330) 2.114 7.486 ( -0.322 -0.000 0.703) 0.774 7.941 ( 1.149 0.000 -0.582) 1.288 8.242 ( 0.315 0.000 1.207) 1.247 8.471 ( -1.514 -0.000 -5.592) 5.793 8.892 ( 7.380 0.000 0.389) 7.391 9.020 ( -5.003 -0.000 0.365) 5.016 9.422 ( 1.627 0.000 0.557) 1.719 9.763 ( -0.288 -0.000 0.928) 0.971 ======================= Grid point 492 (233/324) ======================= q-point: (-0.50 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 1.157 -9.913 -1.730) 10.130 1.202 ( -7.520 -14.660 -2.213) 16.624 1.366 ( -6.345 -14.411 -9.037) 18.155 1.571 ( 0.397 -0.670 -5.774) 5.826 1.672 ( -3.636 -8.981 -6.097) 11.448 1.801 ( 6.318 -1.670 1.964) 6.824 2.014 ( 6.340 -5.267 9.264) 12.400 2.250 ( 0.312 0.088 -1.759) 1.788 2.317 ( 1.274 -3.869 0.195) 4.078 2.511 ( -2.789 -0.300 -1.309) 3.095 2.652 ( 1.574 -4.094 1.559) 4.655 2.698 ( -4.502 -2.837 -5.216) 7.451 2.728 ( 6.482 0.070 4.590) 7.942 2.891 ( 2.680 0.706 4.951) 5.674 2.987 ( -1.281 2.465 0.119) 2.781 3.050 ( -2.170 0.585 -3.704) 4.333 3.252 ( -1.935 -6.193 1.611) 6.685 3.314 ( -1.194 -1.991 0.257) 2.336 3.481 ( 2.400 1.043 1.918) 3.244 3.839 ( 0.759 -0.858 0.007) 1.146 3.957 ( -2.831 -2.245 -0.625) 3.666 4.002 ( -0.350 -2.667 0.232) 2.699 4.277 ( 2.268 4.098 -0.807) 4.753 4.652 ( 0.339 2.545 0.137) 2.571 5.722 ( 2.547 -21.639 -0.642) 21.797 5.910 ( -2.618 -13.596 0.217) 13.847 6.728 ( -4.693 -0.773 -3.032) 5.641 7.392 ( -0.390 0.437 -0.800) 0.991 7.579 ( -0.827 -7.408 0.321) 7.461 7.968 ( 0.540 -2.499 -0.530) 2.611 8.272 ( 1.125 -2.629 1.552) 3.253 8.477 ( -1.721 -2.722 -5.346) 6.241 8.915 ( 6.639 1.294 0.516) 6.783 8.984 ( -5.100 0.928 -0.113) 5.185 9.409 ( 0.817 2.138 0.503) 2.343 9.752 ( -0.159 1.179 0.857) 1.466 ======================= Grid point 493 (234/324) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.886 -1.583 1.470) 2.335 1.314 ( -8.057 -6.888 -4.064) 11.352 1.581 ( 4.632 -3.274 -2.851) 6.348 1.727 ( -5.319 -16.692 -1.495) 17.583 1.873 ( 0.526 -10.291 -3.005) 10.733 1.935 ( 4.612 -12.217 1.145) 13.108 2.175 ( 5.119 -6.274 7.909) 11.319 2.246 ( -2.049 -1.285 -3.490) 4.246 2.426 ( 1.710 -6.383 0.529) 6.629 2.515 ( -1.828 -1.934 -2.471) 3.631 2.701 ( -2.780 -0.360 -4.205) 5.054 2.723 ( -1.321 -1.921 5.204) 5.703 2.755 ( 2.554 0.811 0.332) 2.700 2.878 ( 0.301 2.311 0.948) 2.516 2.966 ( -4.620 -3.661 0.098) 5.895 3.060 ( 0.185 -2.873 -3.784) 4.755 3.217 ( -1.410 3.337 1.138) 3.797 3.474 ( 0.132 -9.157 0.921) 9.204 3.539 ( 0.822 -5.388 1.607) 5.682 3.890 ( -2.835 -1.266 0.357) 3.126 3.895 ( 3.838 2.054 -0.255) 4.361 4.119 ( 0.023 -5.171 -0.043) 5.171 4.224 ( 0.481 0.360 -0.999) 1.166 4.588 ( 0.206 4.392 0.216) 4.402 6.193 ( 1.929 -23.247 0.566) 23.334 6.239 ( -0.174 -22.715 -0.431) 22.720 6.756 ( -1.381 -5.343 -1.412) 5.696 7.411 ( 0.219 -2.131 -0.830) 2.297 7.738 ( -0.228 -10.166 0.678) 10.191 8.036 ( 0.227 -4.636 -0.568) 4.676 8.356 ( 1.264 -5.324 1.636) 5.711 8.530 ( -1.692 -4.623 -4.476) 6.653 8.910 ( 0.066 1.402 1.070) 1.765 8.951 ( 0.294 0.755 -0.577) 0.995 9.362 ( -0.155 2.844 0.227) 2.857 9.724 ( 0.039 1.864 0.671) 1.981 ======================= Grid point 494 (235/324) ======================= q-point: (-0.36 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 2.312 3.907 2.568) 5.216 1.422 ( -4.060 -9.120 -0.763) 10.012 1.696 ( 4.038 -5.716 -1.692) 7.200 1.908 ( -4.409 -8.639 0.701) 9.724 2.027 ( -0.307 -6.401 0.260) 6.413 2.165 ( 3.492 -4.245 1.165) 5.619 2.281 ( -2.185 -5.749 -3.469) 7.061 2.309 ( 3.447 -3.263 6.912) 8.385 2.532 ( 0.619 -0.679 -2.225) 2.407 2.556 ( 0.731 -5.078 -2.023) 5.515 2.692 ( -3.106 -2.504 -2.939) 4.955 2.707 ( -2.606 3.353 1.363) 4.460 2.785 ( -2.212 -5.601 3.021) 6.737 2.863 ( 2.606 -1.733 -1.246) 3.369 3.036 ( -9.679 -6.605 -2.230) 11.928 3.147 ( 6.065 -1.697 -1.146) 6.402 3.160 ( -2.095 -0.792 1.319) 2.600 3.610 ( 1.538 -5.168 0.341) 5.403 3.653 ( 0.530 -5.095 0.507) 5.148 3.791 ( -0.524 5.390 -0.347) 5.427 3.986 ( -0.841 -4.605 0.967) 4.780 4.142 ( 1.736 0.548 -0.542) 1.900 4.301 ( -1.113 -6.199 -0.243) 6.303 4.495 ( -0.000 5.450 0.283) 5.457 6.570 ( -1.838 -17.690 1.131) 17.822 6.645 ( 4.040 -16.796 -1.003) 17.304 6.970 ( 1.872 -18.447 0.323) 18.544 7.446 ( 0.822 -1.109 -0.845) 1.618 7.966 ( 0.315 -13.908 0.909) 13.942 8.141 ( -0.049 -6.740 -0.806) 6.788 8.482 ( 0.859 -6.999 1.151) 7.144 8.602 ( -1.504 -4.433 -2.777) 5.443 8.882 ( -4.084 0.228 0.659) 4.143 8.953 ( 3.016 0.252 -0.022) 3.026 9.314 ( -0.308 1.869 -0.069) 1.896 9.689 ( 0.190 2.080 0.529) 2.155 ======================= Grid point 495 (236/324) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 2.704 3.188 1.606) 4.478 1.594 ( 0.776 -9.072 1.882) 9.297 1.802 ( 2.441 -4.279 -2.224) 5.405 2.032 ( -8.356 -6.921 2.098) 11.051 2.099 ( -3.463 -0.434 -1.117) 3.665 2.168 ( 1.047 1.267 2.214) 2.757 2.350 ( 4.052 -2.314 0.878) 4.748 2.388 ( 3.410 -2.078 1.143) 4.154 2.517 ( 0.592 -0.048 -3.333) 3.386 2.620 ( -3.838 -0.679 0.477) 3.927 2.662 ( -0.397 -1.170 1.182) 1.710 2.749 ( -3.257 -4.561 -1.096) 5.711 2.866 ( -4.023 -4.267 0.124) 5.866 2.983 ( 6.750 -5.043 0.417) 8.437 3.081 ( -4.250 -0.461 -2.608) 5.008 3.121 ( -2.182 -2.666 1.179) 3.642 3.285 ( 2.453 -6.996 -0.611) 7.439 3.688 ( -0.373 2.672 -0.050) 2.698 3.693 ( -0.228 -0.363 -0.169) 0.461 3.732 ( 1.431 -3.756 -0.791) 4.097 4.034 ( -3.987 -1.667 0.581) 4.360 4.150 ( 2.622 0.087 0.257) 2.636 4.372 ( -2.610 1.095 0.247) 2.842 4.415 ( 1.046 0.033 0.046) 1.048 6.813 ( -1.924 -11.101 0.629) 11.284 6.975 ( 5.373 -15.799 0.579) 16.698 7.364 ( 1.987 -19.898 0.322) 19.999 7.458 ( 1.418 -0.104 -0.702) 1.586 8.243 ( -0.015 -14.807 0.662) 14.822 8.281 ( -0.363 -8.627 -1.083) 8.702 8.609 ( -1.922 -5.837 -0.281) 6.151 8.666 ( 0.745 -3.433 -0.371) 3.533 8.872 ( -2.479 -0.917 0.419) 2.676 8.957 ( 0.446 0.600 0.348) 0.825 9.298 ( 0.744 -0.277 -0.293) 0.847 9.651 ( 0.009 2.124 0.476) 2.177 ======================= Grid point 496 (237/324) ======================= q-point: (-0.21 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 2.666 -1.567 0.654) 3.161 1.725 ( 2.190 -1.794 1.350) 3.136 1.872 ( 1.095 -2.762 -2.381) 3.807 1.983 ( -4.826 5.664 1.145) 7.529 2.081 ( -6.173 -2.651 2.012) 7.013 2.233 ( -0.074 -4.496 -0.649) 4.543 2.403 ( 1.020 -2.124 -1.632) 2.866 2.428 ( 4.255 0.545 -0.144) 4.292 2.547 ( 1.007 -2.499 -1.459) 3.064 2.606 ( -3.954 -1.551 3.452) 5.473 2.714 ( 0.092 -3.343 0.122) 3.346 2.800 ( -3.449 -1.735 0.373) 3.879 2.884 ( -3.556 0.077 2.042) 4.102 3.023 ( -1.575 0.351 -2.226) 2.749 3.106 ( 6.296 -2.885 -0.255) 6.931 3.193 ( 2.415 -3.005 -0.647) 3.910 3.421 ( -0.253 -6.137 -0.546) 6.166 3.589 ( -1.780 4.813 -0.730) 5.183 3.729 ( -0.796 -2.507 0.367) 2.656 3.807 ( 0.741 -2.933 -0.827) 3.136 4.028 ( -3.554 -0.190 0.348) 3.576 4.153 ( 1.345 0.905 0.870) 1.840 4.298 ( -0.328 3.687 0.307) 3.714 4.448 ( -0.837 -1.414 0.023) 1.644 7.003 ( -1.271 -10.062 0.875) 10.180 7.240 ( 5.463 -8.038 0.563) 9.735 7.486 ( 1.269 -3.518 -0.073) 3.740 7.681 ( 0.880 -12.757 -0.006) 12.787 8.443 ( -1.885 -9.661 -1.667) 9.983 8.497 ( 0.655 -11.095 0.442) 11.123 8.662 ( -4.304 -2.436 -0.427) 4.964 8.741 ( 2.486 -2.713 -0.305) 3.692 8.895 ( 0.266 -2.014 0.945) 2.241 8.933 ( -1.631 1.655 0.570) 2.392 9.329 ( 1.788 -2.167 -0.347) 2.831 9.610 ( -0.604 2.276 0.463) 2.400 ======================= Grid point 497 (238/324) ======================= q-point: (-0.14 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 2.850 -6.725 0.195) 7.307 1.623 ( -4.527 10.159 0.927) 11.161 1.902 ( -0.196 -0.452 -2.350) 2.401 1.952 ( 3.018 -1.182 0.335) 3.259 2.100 ( -2.584 -1.415 0.769) 3.045 2.279 ( -1.009 -0.896 -1.824) 2.269 2.402 ( -1.029 2.196 -0.147) 2.430 2.460 ( 0.988 -2.890 -0.324) 3.071 2.568 ( 2.153 0.286 0.022) 2.172 2.657 ( -2.942 -3.167 1.703) 4.646 2.733 ( -6.172 1.930 2.508) 6.936 2.807 ( 2.718 -2.933 0.071) 3.999 2.897 ( 0.508 -1.277 1.513) 2.044 3.001 ( -0.290 0.709 -3.593) 3.674 3.200 ( 3.393 -2.989 2.372) 5.106 3.238 ( 4.196 -1.242 -2.395) 4.988 3.428 ( -3.803 4.348 -0.230) 5.781 3.566 ( -0.348 -3.903 -1.641) 4.248 3.788 ( 0.763 -2.901 1.663) 3.430 3.819 ( -1.314 1.093 -1.211) 2.094 4.032 ( -1.552 -1.674 0.751) 2.403 4.134 ( -0.269 1.474 0.896) 1.746 4.246 ( 0.534 2.107 0.265) 2.190 4.455 ( -0.839 0.048 0.038) 0.841 7.172 ( -1.991 -8.315 0.928) 8.601 7.312 ( 4.639 1.228 -0.045) 4.799 7.606 ( 0.848 -6.633 0.790) 6.734 7.843 ( 0.093 -4.624 -0.259) 4.632 8.597 ( -2.946 -7.649 -1.831) 8.399 8.634 ( 1.898 -2.323 -0.169) 3.005 8.682 ( -2.042 -1.876 -0.110) 2.775 8.776 ( 0.044 -1.020 -0.907) 1.366 8.889 ( -1.577 1.967 0.511) 2.572 8.953 ( 1.826 -2.938 1.669) 3.841 9.386 ( 1.995 -2.870 -0.223) 3.503 9.560 ( -1.357 2.684 0.415) 3.036 ======================= Grid point 498 (239/324) ======================= q-point: (-0.07 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 1.087 -6.455 0.034) 6.546 1.403 ( -3.806 8.357 1.282) 9.272 1.881 ( 0.038 2.170 -2.093) 3.015 1.983 ( 2.800 0.037 -1.104) 3.010 2.105 ( -0.390 0.297 0.630) 0.798 2.258 ( 0.015 2.227 -1.321) 2.590 2.368 ( -0.982 0.485 -0.513) 1.209 2.458 ( 1.522 4.465 1.819) 5.056 2.573 ( 3.026 0.446 0.649) 3.126 2.679 ( -2.512 -0.517 -0.162) 2.569 2.710 ( -6.282 -3.092 1.481) 7.156 2.847 ( 2.519 1.416 -0.021) 2.890 2.939 ( 1.316 -3.003 -0.442) 3.309 2.987 ( 1.357 0.586 -1.470) 2.085 3.205 ( 2.879 3.169 1.876) 4.675 3.308 ( -2.960 -4.434 -0.944) 5.414 3.341 ( 1.038 2.272 -1.065) 2.716 3.644 ( -1.130 -4.109 -1.262) 4.444 3.753 ( -0.460 3.361 -0.763) 3.477 3.852 ( 2.118 -1.722 1.065) 2.930 4.054 ( -0.836 -0.170 1.530) 1.752 4.107 ( -0.933 0.855 0.463) 1.348 4.225 ( 0.426 0.410 0.293) 0.660 4.445 ( -0.239 0.589 0.023) 0.636 7.246 ( 1.069 2.505 1.039) 2.914 7.328 ( -1.467 -4.436 -0.239) 4.679 7.681 ( -1.128 -0.431 1.071) 1.614 7.874 ( 0.760 0.733 -0.443) 1.145 8.623 ( 1.374 3.227 -0.317) 3.521 8.646 ( 2.967 2.613 -1.304) 4.164 8.712 ( -2.523 -1.791 -0.685) 3.169 8.789 ( -2.342 -1.438 -0.752) 2.849 8.857 ( 0.533 1.252 0.391) 1.416 9.007 ( 0.288 -1.418 1.642) 2.189 9.451 ( 1.702 -2.894 -0.062) 3.358 9.500 ( -1.634 2.868 0.334) 3.318 ======================= Grid point 506 (240/324) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 0.952 0.000 0.015) 0.952 0.940 ( -6.283 -0.000 -5.728) 8.502 1.205 ( -12.720 -0.000 -8.230) 15.150 1.483 ( -1.644 -0.000 -5.821) 6.048 1.613 ( -0.359 -0.000 -7.109) 7.118 1.826 ( 6.317 0.000 0.453) 6.333 2.014 ( 6.476 0.000 9.092) 11.163 2.266 ( 1.383 0.000 3.895) 4.133 2.269 ( -1.314 -0.000 -4.848) 5.023 2.490 ( -5.679 -0.000 1.796) 5.956 2.607 ( -0.973 -0.000 0.240) 1.003 2.630 ( -4.118 -0.000 -6.446) 7.649 2.766 ( 4.459 0.000 5.962) 7.444 2.939 ( 5.356 0.000 4.530) 7.015 2.993 ( -4.936 -0.000 -1.301) 5.104 3.087 ( -1.489 -0.000 -0.002) 1.489 3.112 ( -0.104 -0.000 -0.427) 0.440 3.320 ( -1.038 -0.000 0.562) 1.180 3.525 ( 0.797 0.000 1.575) 1.765 3.834 ( 1.673 0.000 -0.213) 1.686 3.881 ( 0.035 0.000 -0.156) 0.160 4.005 ( -0.625 -0.000 -0.247) 0.672 4.332 ( 0.286 0.000 -0.475) 0.554 4.676 ( 0.036 0.000 0.093) 0.100 5.501 ( -0.126 -0.000 -1.248) 1.254 5.768 ( 0.181 0.000 0.161) 0.242 6.697 ( -2.632 -0.000 -3.131) 4.090 7.411 ( -0.479 -0.000 -1.213) 1.304 7.486 ( -0.182 -0.000 0.681) 0.705 7.945 ( 0.075 0.000 -0.556) 0.561 8.260 ( 2.069 0.000 1.704) 2.680 8.431 ( -1.847 -0.000 -5.356) 5.665 8.945 ( -2.752 -0.000 0.820) 2.872 8.984 ( 3.510 0.000 -0.910) 3.626 9.435 ( 0.152 0.000 0.660) 0.677 9.766 ( 0.030 0.000 0.901) 0.902 ======================= Grid point 507 (241/324) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 0.807 -10.429 -0.931) 10.502 1.107 ( -10.156 -9.826 -1.342) 14.195 1.265 ( -7.411 -21.975 -5.286) 23.785 1.571 ( 3.373 -2.494 -4.000) 5.796 1.623 ( -0.889 -9.611 -6.483) 11.627 1.867 ( 5.537 -1.608 0.416) 5.781 2.108 ( 5.245 -4.773 8.003) 10.693 2.229 ( -2.648 1.035 -2.851) 4.027 2.328 ( 0.430 -4.273 0.513) 4.325 2.468 ( -6.497 -1.007 1.519) 6.748 2.614 ( -6.755 -3.004 -3.132) 8.029 2.671 ( 0.231 -4.917 -1.022) 5.027 2.798 ( 4.097 0.381 5.078) 6.536 2.919 ( -1.398 3.509 2.736) 4.664 2.944 ( -4.309 1.812 -0.981) 4.776 3.031 ( -0.696 0.839 -2.333) 2.575 3.260 ( 3.003 -5.192 1.411) 6.161 3.305 ( -0.703 -3.226 0.609) 3.357 3.498 ( -0.523 0.973 1.171) 1.610 3.848 ( 0.891 -0.818 -0.165) 1.221 3.955 ( 3.105 -1.524 -0.612) 3.513 4.001 ( -0.159 -3.456 0.284) 3.472 4.276 ( -1.739 4.114 -0.766) 4.532 4.653 ( -0.098 2.468 0.113) 2.473 5.732 ( 0.109 -22.864 -0.928) 22.884 5.909 ( 2.307 -13.308 0.256) 13.509 6.695 ( 0.157 -1.312 -2.130) 2.506 7.388 ( 0.279 0.211 -0.777) 0.852 7.576 ( -0.078 -7.404 0.453) 7.418 7.967 ( -0.337 -2.543 -0.512) 2.616 8.297 ( 2.363 -2.383 1.819) 3.817 8.439 ( -1.562 -2.872 -5.000) 5.974 8.908 ( -6.800 0.963 0.346) 6.877 8.998 ( 6.423 1.342 -0.361) 6.571 9.411 ( -0.831 2.306 0.482) 2.499 9.756 ( 0.193 1.207 0.748) 1.433 ======================= Grid point 508 (242/324) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 1.776 -2.534 3.579) 4.731 1.216 ( -8.617 -9.143 -3.497) 13.041 1.612 ( 3.338 -4.591 -3.739) 6.797 1.661 ( -6.174 -16.898 0.814) 18.009 1.882 ( 3.536 -12.429 -2.999) 13.266 1.983 ( 4.064 -10.983 0.291) 11.714 2.195 ( -4.144 -0.420 -3.560) 5.479 2.253 ( 2.739 -5.685 7.711) 9.965 2.429 ( -0.724 -6.558 -2.112) 6.928 2.489 ( -2.281 -3.659 -0.150) 4.315 2.624 ( -7.247 -2.429 -4.034) 8.642 2.748 ( -0.309 -1.437 6.667) 6.827 2.773 ( 0.407 3.692 0.423) 3.738 2.869 ( -1.848 1.255 -0.613) 2.317 2.893 ( -8.462 -0.304 -1.081) 8.537 3.050 ( 0.670 -4.753 -2.024) 5.209 3.246 ( 4.683 3.680 1.558) 6.156 3.493 ( 3.054 -9.336 0.794) 9.855 3.541 ( -1.528 -5.787 0.790) 6.037 3.861 ( -2.083 0.808 -0.283) 2.252 3.932 ( 2.631 0.903 0.059) 2.782 4.130 ( 2.052 -5.650 -0.007) 6.011 4.207 ( -2.835 0.465 -0.987) 3.038 4.587 ( -0.603 4.367 0.116) 4.410 6.219 ( 2.986 -21.654 0.426) 21.863 6.246 ( 2.139 -24.057 -1.039) 24.174 6.762 ( 3.288 -6.220 -0.636) 7.064 7.413 ( 0.800 -2.259 -0.832) 2.537 7.743 ( 0.577 -10.365 0.721) 10.406 8.032 ( -0.498 -4.684 -0.539) 4.742 8.378 ( 1.552 -4.799 1.406) 5.236 8.499 ( -0.971 -4.919 -3.732) 6.250 8.856 ( -7.257 0.594 0.288) 7.287 8.996 ( 4.830 1.712 0.169) 5.127 9.356 ( -1.116 2.750 0.157) 2.972 9.729 ( 0.340 1.882 0.527) 1.984 ======================= Grid point 509 (243/324) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 3.094 4.039 1.493) 5.302 1.384 ( -3.595 -12.585 1.098) 13.135 1.722 ( 3.227 -5.265 -3.096) 6.908 1.848 ( -7.776 -8.688 2.231) 11.871 2.033 ( 0.174 -4.461 -0.165) 4.467 2.174 ( -2.145 -0.986 -1.071) 2.592 2.266 ( 1.980 -11.261 -1.091) 11.485 2.364 ( 2.555 -2.669 5.483) 6.612 2.521 ( -0.505 0.167 -3.623) 3.662 2.539 ( -2.522 -6.085 -4.546) 8.004 2.651 ( -2.539 -3.951 -0.083) 4.697 2.682 ( -4.130 3.971 1.746) 5.989 2.793 ( 0.886 -2.885 4.718) 5.600 2.871 ( 0.150 -3.928 -1.327) 4.149 2.917 ( -11.461 -7.973 -2.556) 14.193 3.159 ( 0.188 -2.524 1.430) 2.907 3.207 ( 6.053 0.481 0.148) 6.074 3.644 ( 4.717 -4.655 0.513) 6.647 3.651 ( -0.999 -5.396 -0.154) 5.490 3.783 ( -0.597 5.311 -0.270) 5.351 3.966 ( -3.642 -3.001 0.244) 4.726 4.163 ( 2.378 0.053 -0.563) 2.444 4.280 ( -2.510 -6.298 -0.094) 6.780 4.493 ( -0.655 5.079 0.071) 5.121 6.562 ( -0.435 -15.581 1.255) 15.637 6.690 ( 5.819 -18.826 -1.497) 19.762 7.005 ( 4.977 -17.890 0.281) 18.572 7.454 ( 1.590 -1.361 -0.912) 2.283 7.973 ( 0.518 -13.707 0.716) 13.736 8.134 ( -0.762 -6.677 -0.731) 6.760 8.487 ( -0.850 -6.051 0.142) 6.112 8.588 ( 0.494 -5.093 -1.353) 5.293 8.828 ( -5.794 -1.205 0.161) 5.920 8.983 ( 1.541 1.521 0.561) 2.237 9.312 ( 0.189 1.396 -0.125) 1.414 9.693 ( 0.276 2.168 0.382) 2.219 ======================= Grid point 510 (244/324) ======================= q-point: (-0.21 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 3.111 3.330 0.048) 4.557 1.616 ( 1.714 -11.144 2.298) 11.507 1.811 ( 1.333 -3.700 -2.898) 4.885 1.951 ( -9.116 -6.084 3.065) 11.380 2.041 ( -6.600 1.555 -1.424) 6.929 2.184 ( 0.436 -0.932 0.460) 1.127 2.384 ( 2.244 -0.326 -0.209) 2.277 2.434 ( 5.149 -4.030 0.785) 6.586 2.503 ( -0.805 -1.090 -4.141) 4.357 2.567 ( -7.398 0.235 0.769) 7.441 2.675 ( 1.515 -3.090 0.234) 3.449 2.706 ( -4.354 -3.929 0.798) 5.919 2.836 ( -1.928 -1.947 -0.271) 2.753 3.012 ( -3.920 -6.469 -2.808) 8.068 3.039 ( 2.336 -7.467 1.335) 7.937 3.133 ( 1.480 0.056 3.554) 3.850 3.312 ( 3.376 -5.500 -0.666) 6.487 3.666 ( -3.310 4.191 -0.286) 5.348 3.702 ( 1.300 -0.078 -0.538) 1.410 3.751 ( 2.763 -3.605 -0.110) 4.543 3.988 ( -5.110 -1.811 0.352) 5.433 4.175 ( 2.058 0.223 0.145) 2.075 4.345 ( -2.769 -0.312 0.007) 2.787 4.419 ( -0.159 0.848 -0.093) 0.868 6.804 ( -0.735 -11.264 1.328) 11.366 7.038 ( 7.041 -15.515 -0.316) 17.041 7.388 ( 2.986 -18.592 -0.223) 18.832 7.474 ( 2.404 -0.277 -0.702) 2.520 8.237 ( -1.393 -12.927 -0.510) 13.012 8.276 ( -0.199 -10.056 -0.173) 10.059 8.573 ( -4.190 -4.411 -0.694) 6.124 8.686 ( 2.367 -4.535 0.105) 5.117 8.847 ( -2.141 -2.792 0.169) 3.522 8.955 ( -1.717 1.560 0.764) 2.442 9.310 ( 1.834 -0.679 -0.233) 1.969 9.652 ( -0.182 2.356 0.324) 2.386 ======================= Grid point 511 (245/324) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 3.620 -1.561 -0.420) 3.965 1.745 ( 0.478 2.139 0.575) 2.266 1.864 ( -0.841 -2.457 -2.294) 3.465 1.937 ( -4.957 -0.295 1.340) 5.143 2.034 ( -3.976 -3.755 1.225) 5.604 2.224 ( -1.254 -3.117 -0.995) 3.504 2.400 ( 0.377 -1.524 -2.798) 3.208 2.449 ( -0.868 2.378 -1.006) 2.725 2.543 ( -0.747 -3.421 -2.137) 4.102 2.595 ( -0.015 -3.438 3.754) 5.090 2.716 ( -1.485 -1.526 1.516) 2.614 2.765 ( -2.680 -3.505 -0.107) 4.414 2.865 ( -1.279 -2.229 1.447) 2.949 2.992 ( -2.241 2.005 -2.449) 3.878 3.176 ( 7.084 -3.627 0.781) 7.997 3.225 ( 3.637 -4.081 0.835) 5.530 3.412 ( -1.227 -3.793 -0.610) 4.033 3.562 ( -3.228 4.084 -0.693) 5.251 3.729 ( 0.308 -2.909 0.749) 3.019 3.809 ( 0.019 -1.417 -0.460) 1.490 3.994 ( -3.224 -1.337 0.584) 3.539 4.167 ( 0.768 1.505 0.607) 1.796 4.294 ( -0.616 2.869 -0.117) 2.937 4.438 ( -1.299 -1.404 -0.045) 1.913 6.998 ( -0.812 -9.674 1.380) 9.805 7.304 ( 7.157 -7.508 -0.126) 10.374 7.500 ( 1.682 -3.319 -0.461) 3.749 7.690 ( 1.032 -11.841 -0.168) 11.887 8.412 ( -2.929 -9.470 -1.863) 10.087 8.503 ( -0.067 -11.296 0.452) 11.305 8.617 ( -4.114 -2.953 -0.217) 5.069 8.761 ( 1.960 -2.069 -0.879) 2.982 8.896 ( -1.389 -1.381 0.128) 1.963 8.924 ( -0.076 -0.338 1.644) 1.680 9.349 ( 2.291 -2.180 -0.202) 3.169 9.604 ( -0.962 2.606 0.300) 2.794 ======================= Grid point 512 (246/324) ======================= q-point: (-0.07 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 4.443 -6.560 -0.192) 7.925 1.575 ( -5.517 10.907 0.537) 12.235 1.885 ( -1.280 -0.834 -2.090) 2.589 1.979 ( 2.037 -1.906 -0.441) 2.825 2.084 ( -0.787 -2.320 0.572) 2.516 2.255 ( -2.519 -1.246 -1.655) 3.261 2.380 ( -2.492 1.619 -0.516) 3.016 2.469 ( 0.877 -3.575 -1.183) 3.867 2.584 ( 0.517 -1.286 -1.103) 1.772 2.643 ( -0.006 -1.295 0.485) 1.383 2.697 ( -3.817 2.471 5.789) 7.361 2.828 ( 1.510 -3.167 -0.227) 3.516 2.908 ( 0.393 -1.999 0.908) 2.230 2.972 ( -2.147 -1.762 -3.600) 4.547 3.240 ( 3.405 0.007 1.858) 3.879 3.283 ( 5.433 -0.073 -1.737) 5.704 3.389 ( -3.684 3.284 -0.058) 4.935 3.552 ( -1.092 -4.110 -0.887) 4.344 3.792 ( -1.830 1.104 -0.176) 2.145 3.813 ( 1.377 -3.339 1.015) 3.752 4.018 ( -1.782 -2.301 0.980) 3.071 4.135 ( -0.220 2.010 0.625) 2.116 4.250 ( 0.172 1.756 0.026) 1.764 4.446 ( -0.922 -0.263 -0.019) 0.959 7.157 ( -1.914 -7.636 1.259) 7.973 7.361 ( 5.308 2.466 -0.469) 5.871 7.621 ( 1.659 -6.121 0.498) 6.361 7.840 ( -0.426 -4.519 -0.320) 4.551 8.557 ( -3.514 -7.633 -1.729) 8.579 8.648 ( -1.639 -2.019 -0.100) 2.602 8.661 ( 0.406 -5.186 -0.090) 5.203 8.778 ( 1.155 0.751 -1.168) 1.806 8.872 ( -2.147 0.756 0.359) 2.304 8.980 ( 2.250 -2.367 1.655) 3.661 9.406 ( 2.066 -2.768 -0.056) 3.455 9.546 ( -1.688 2.912 0.247) 3.375 ======================= Grid point 521 (247/324) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -1.169 -0.000 -2.528) 2.785 0.865 ( -4.833 -0.000 -0.213) 4.837 1.042 ( -14.848 -0.000 -3.104) 15.169 1.457 ( 0.520 0.000 -4.243) 4.274 1.606 ( 3.919 0.000 -5.950) 7.125 1.879 ( 4.228 0.000 -1.041) 4.355 2.098 ( 4.093 0.000 6.030) 7.288 2.225 ( -3.862 -0.000 -3.809) 5.425 2.290 ( 0.785 0.000 2.724) 2.835 2.414 ( -12.753 -0.000 4.881) 13.655 2.566 ( -3.744 -0.000 -4.980) 6.230 2.585 ( -2.872 -0.000 -0.395) 2.899 2.819 ( 1.890 0.000 4.507) 4.887 2.935 ( -5.340 -0.000 -0.993) 5.432 2.988 ( 1.467 0.000 1.728) 2.267 3.088 ( 1.807 0.000 0.468) 1.867 3.112 ( 0.298 0.000 -0.389) 0.490 3.316 ( -0.664 -0.000 0.850) 1.079 3.525 ( -0.875 -0.000 1.247) 1.523 3.877 ( 5.970 0.000 -0.503) 5.991 3.884 ( 0.621 0.000 -0.147) 0.638 4.009 ( 1.641 0.000 -0.022) 1.642 4.311 ( -3.938 -0.000 -0.325) 3.951 4.678 ( 0.074 0.000 0.040) 0.085 5.472 ( -4.335 -0.000 -0.922) 4.432 5.798 ( 5.174 0.000 -0.024) 5.174 6.686 ( 2.322 0.000 -1.686) 2.869 7.408 ( 0.656 0.000 -0.890) 1.106 7.487 ( -0.052 -0.000 0.656) 0.658 7.938 ( -0.969 -0.000 -0.509) 1.094 8.293 ( 3.145 0.000 1.763) 3.605 8.395 ( -1.124 -0.000 -4.941) 5.067 8.885 ( -6.835 -0.000 0.073) 6.835 9.042 ( 6.059 0.000 -0.305) 6.067 9.430 ( -1.445 -0.000 0.429) 1.507 9.770 ( 0.253 0.000 0.708) 0.751 ======================= Grid point 522 (248/324) ======================= q-point: (-0.36 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -0.570 -13.155 -0.087) 13.168 0.992 ( -12.209 -6.617 0.705) 13.905 1.195 ( -4.053 -25.367 -0.024) 25.689 1.601 ( 2.813 -12.399 -1.492) 12.801 1.605 ( 3.902 -1.033 -6.319) 7.498 1.910 ( 3.552 -2.079 -1.874) 4.522 2.170 ( 0.703 -2.830 1.148) 3.134 2.181 ( -4.009 -0.691 1.539) 4.349 2.328 ( -0.453 -3.157 -0.326) 3.206 2.383 ( -13.390 -3.514 5.147) 14.769 2.537 ( -5.230 -1.400 -3.737) 6.579 2.663 ( -1.302 -6.322 0.147) 6.456 2.852 ( 2.113 -1.466 2.183) 3.374 2.863 ( -5.131 4.404 0.155) 6.764 2.937 ( -1.148 4.547 2.640) 5.382 3.015 ( -0.198 1.840 -2.321) 2.968 3.300 ( -0.362 -7.953 0.566) 7.981 3.314 ( 4.957 -3.584 1.012) 6.201 3.488 ( -1.311 1.937 0.821) 2.479 3.856 ( 1.147 0.633 -0.512) 1.407 3.995 ( 2.314 2.550 0.103) 3.445 4.006 ( 2.833 -7.099 -0.081) 7.644 4.241 ( -4.130 3.621 -0.553) 5.521 4.650 ( -0.624 2.701 0.023) 2.772 5.725 ( -0.168 -25.662 -1.355) 25.698 5.950 ( 5.323 -12.428 0.129) 13.521 6.714 ( 4.776 -1.665 -0.535) 5.086 7.391 ( 0.885 0.178 -0.618) 1.094 7.580 ( 0.568 -7.634 0.632) 7.681 7.958 ( -1.129 -2.726 -0.440) 2.983 8.330 ( 2.644 -1.860 1.341) 3.500 8.410 ( -0.466 -3.026 -4.210) 5.205 8.839 ( -6.871 1.150 0.197) 6.969 9.053 ( 4.294 1.635 0.028) 4.594 9.398 ( -1.779 2.296 0.186) 2.910 9.761 ( 0.291 1.198 0.525) 1.340 ======================= Grid point 523 (249/324) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 3.026 -3.191 4.615) 6.375 1.117 ( -9.112 -11.887 -1.276) 15.032 1.586 ( -4.864 -15.256 1.427) 16.076 1.653 ( 2.992 -5.118 -3.033) 6.659 1.910 ( 3.246 -14.077 -1.785) 14.556 2.010 ( 2.045 -9.718 -2.584) 10.261 2.133 ( -5.740 -0.573 -0.187) 5.772 2.287 ( -1.772 -6.019 4.179) 7.539 2.397 ( -2.798 -5.355 -4.566) 7.573 2.469 ( -3.434 -8.467 4.046) 9.992 2.537 ( -6.281 -2.496 -3.348) 7.543 2.745 ( -6.643 -3.502 1.867) 7.738 2.755 ( -4.116 4.461 0.705) 6.111 2.813 ( -2.059 3.864 0.439) 4.401 2.879 ( 2.647 2.796 0.730) 3.919 3.057 ( 1.382 -6.278 -0.662) 6.463 3.297 ( 3.743 3.435 1.613) 5.331 3.515 ( -3.764 -6.547 -0.303) 7.558 3.542 ( 5.951 -9.837 0.793) 11.524 3.848 ( -0.193 1.118 -0.757) 1.364 3.942 ( -0.780 2.877 0.156) 2.985 4.144 ( -2.181 -6.664 -0.014) 7.012 4.180 ( 1.237 1.090 -0.775) 1.822 4.578 ( -1.238 4.389 -0.030) 4.560 6.255 ( 3.911 -20.381 0.241) 20.754 6.272 ( 4.393 -24.797 -2.113) 25.271 6.814 ( 7.269 -6.758 0.481) 9.937 7.419 ( 1.098 -2.412 -0.797) 2.768 7.756 ( 1.352 -10.393 0.828) 10.513 8.023 ( -0.983 -4.731 -0.398) 4.848 8.392 ( 0.386 -3.783 0.100) 3.804 8.484 ( 0.406 -5.414 -2.381) 5.928 8.789 ( -6.317 0.371 0.644) 6.360 9.027 ( 0.736 2.369 0.472) 2.525 9.346 ( -0.441 2.218 -0.076) 2.262 9.734 ( 0.286 1.890 0.333) 1.940 ======================= Grid point 524 (250/324) ======================= q-point: (-0.21 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 2.987 4.229 -0.818) 5.242 1.358 ( -3.636 -15.594 3.487) 16.388 1.738 ( 2.506 -4.348 -3.932) 6.376 1.784 ( -7.198 -8.495 4.421) 11.980 2.010 ( -4.650 -1.005 -1.292) 4.930 2.140 ( -1.825 -3.739 -3.267) 5.290 2.299 ( 3.456 -11.622 1.868) 12.268 2.402 ( 0.834 -3.143 3.877) 5.061 2.472 ( -6.450 -7.652 -4.406) 10.935 2.490 ( -1.383 1.873 -6.014) 6.449 2.624 ( -6.523 1.953 0.583) 6.834 2.659 ( 0.172 -3.548 3.269) 4.827 2.783 ( -6.998 -7.469 -5.188) 11.475 2.852 ( 1.406 -1.267 5.214) 5.547 2.869 ( -0.400 -6.860 2.482) 7.306 3.166 ( -0.148 -2.176 1.662) 2.742 3.265 ( 5.589 0.029 0.135) 5.590 3.627 ( -3.324 -5.537 -0.833) 6.511 3.704 ( 6.376 -4.004 0.607) 7.554 3.779 ( 0.015 5.438 -0.332) 5.448 3.921 ( -5.117 -2.045 -0.273) 5.518 4.174 ( -0.106 -1.213 -0.753) 1.432 4.261 ( -0.786 -5.204 0.132) 5.265 4.483 ( -1.278 4.737 -0.150) 4.908 6.571 ( 0.973 -14.252 1.509) 14.365 6.744 ( 6.517 -20.295 -2.390) 21.449 7.069 ( 7.604 -16.189 0.317) 17.889 7.468 ( 1.832 -1.809 -0.983) 2.756 7.982 ( 0.775 -12.973 0.472) 13.005 8.121 ( -1.184 -6.595 -0.473) 6.717 8.467 ( -2.726 -4.614 -0.643) 5.398 8.595 ( 1.009 -6.036 -0.964) 6.195 8.782 ( -3.251 -2.312 0.948) 4.100 8.979 ( -2.882 2.158 0.662) 3.661 9.320 ( 1.697 0.792 -0.182) 1.881 9.696 ( 0.044 2.288 0.215) 2.298 ======================= Grid point 525 (251/324) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 3.587 3.127 -1.489) 4.986 1.635 ( -0.217 -13.387 1.883) 13.520 1.799 ( -2.430 -3.332 -1.465) 4.376 1.892 ( -4.508 -3.808 2.830) 6.545 1.967 ( -6.487 0.513 -1.778) 6.746 2.181 ( -0.585 -1.468 -0.974) 1.857 2.393 ( -0.688 0.509 -1.118) 1.408 2.449 ( -6.124 -1.786 -4.724) 7.938 2.484 ( 0.609 0.180 -1.717) 1.830 2.509 ( 0.227 -5.571 1.637) 5.811 2.649 ( -4.667 -5.534 0.065) 7.240 2.708 ( 1.431 -1.374 1.273) 2.357 2.827 ( 0.321 -1.138 -0.327) 1.227 2.968 ( -3.242 -6.375 0.155) 7.154 3.071 ( 2.292 -10.638 2.757) 11.226 3.167 ( 2.184 -1.047 3.468) 4.230 3.345 ( 3.572 -3.607 -0.700) 5.124 3.621 ( -5.401 3.646 -0.654) 6.550 3.711 ( 1.133 0.898 -0.742) 1.625 3.778 ( 2.038 -2.078 0.054) 2.911 3.945 ( -3.260 -2.401 0.580) 4.090 4.189 ( 0.620 0.112 -0.241) 0.675 4.321 ( -1.911 -0.873 -0.104) 2.103 4.412 ( -1.185 1.068 -0.254) 1.615 6.808 ( 0.266 -10.982 1.792) 11.131 7.108 ( 7.356 -15.751 -1.080) 17.418 7.421 ( 4.091 -16.005 -0.847) 16.541 7.498 ( 2.790 -1.069 -0.618) 3.051 8.215 ( -2.136 -10.537 -1.393) 10.842 8.274 ( -0.508 -11.523 0.575) 11.548 8.528 ( -4.168 -4.082 -0.446) 5.851 8.702 ( 0.944 -4.861 -0.988) 5.049 8.841 ( 0.568 -3.843 1.054) 4.026 8.928 ( -4.275 1.305 0.845) 4.549 9.332 ( 2.522 -0.810 -0.142) 2.653 9.650 ( -0.503 2.623 0.160) 2.675 ======================= Grid point 526 (252/324) ======================= q-point: (-0.07 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 4.850 -2.003 -1.258) 5.396 1.730 ( -3.363 6.854 -0.678) 7.665 1.836 ( -3.689 -2.551 -0.492) 4.512 1.901 ( -2.865 -6.529 0.439) 7.143 2.018 ( -0.100 -4.548 0.243) 4.556 2.199 ( -3.216 -1.917 -0.982) 3.871 2.390 ( -0.319 0.480 -2.977) 3.033 2.410 ( -4.106 -1.114 -2.269) 4.822 2.521 ( -1.409 -4.129 -1.906) 4.761 2.624 ( 1.221 -2.980 1.461) 3.536 2.688 ( -3.157 -2.480 2.739) 4.860 2.764 ( 1.561 -3.100 -0.305) 3.484 2.865 ( -0.416 -2.625 1.556) 3.080 2.968 ( -0.794 2.458 -0.961) 2.756 3.246 ( 6.044 -4.949 0.651) 7.839 3.267 ( 3.734 -4.027 1.525) 5.700 3.391 ( -2.666 -0.849 -0.144) 2.801 3.522 ( -3.926 2.605 -0.853) 4.788 3.740 ( 1.254 -3.548 1.018) 3.898 3.800 ( -1.680 -0.079 -0.370) 1.722 3.974 ( -1.286 -1.780 1.075) 2.445 4.171 ( -0.100 1.714 0.041) 1.717 4.287 ( -0.532 2.247 -0.261) 2.324 4.423 ( -1.551 -1.570 -0.124) 2.210 6.998 ( -0.392 -9.033 1.754) 9.210 7.377 ( 7.700 -7.171 -0.733) 10.547 7.515 ( 1.925 -3.203 -0.830) 3.828 7.699 ( 0.934 -10.452 -0.303) 10.498 8.373 ( -3.215 -9.254 -1.920) 9.983 8.493 ( -2.706 -10.578 0.547) 10.933 8.588 ( -1.253 -4.290 -0.280) 4.478 8.773 ( 1.209 -2.269 -1.293) 2.877 8.868 ( -3.579 0.454 0.165) 3.611 8.944 ( 2.079 -3.250 1.818) 4.265 9.371 ( 2.197 -2.043 -0.054) 3.000 9.594 ( -1.203 2.943 0.121) 3.181 ======================= Grid point 536 (253/324) ======================= q-point: (-0.36 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -7.727 -0.000 -1.225) 7.823 0.859 ( 1.438 0.000 2.215) 2.641 0.903 ( -13.227 -0.000 5.181) 14.206 1.459 ( 2.367 0.000 -2.063) 3.139 1.636 ( 5.781 0.000 -4.185) 7.136 1.897 ( 0.592 0.000 -2.997) 3.055 2.134 ( 0.257 0.000 0.184) 0.315 2.164 ( -6.961 -0.000 -0.258) 6.965 2.278 ( -17.963 -0.000 5.833) 18.886 2.303 ( 0.085 0.000 1.267) 1.270 2.526 ( -1.683 -0.000 -0.667) 1.811 2.556 ( -2.272 -0.000 -0.791) 2.406 2.829 ( -1.983 -0.000 -1.237) 2.337 2.893 ( -2.784 -0.000 2.314) 3.620 2.994 ( -0.350 -0.000 1.406) 1.449 3.115 ( 0.689 0.000 -0.201) 0.718 3.120 ( 3.600 0.000 0.091) 3.601 3.299 ( -3.011 -0.000 -0.812) 3.119 3.540 ( 2.921 0.000 2.203) 3.658 3.892 ( 1.107 0.000 -0.133) 1.114 3.927 ( 4.103 0.000 -0.488) 4.132 4.035 ( 2.910 0.000 0.195) 2.916 4.262 ( -4.846 -0.000 0.029) 4.846 4.676 ( -0.376 -0.000 -0.049) 0.379 5.418 ( -5.523 -0.000 -0.623) 5.558 5.860 ( 7.031 0.000 -0.137) 7.032 6.729 ( 6.820 0.000 0.543) 6.842 7.417 ( 1.550 0.000 -0.366) 1.592 7.490 ( 0.106 0.000 0.633) 0.642 7.922 ( -1.864 -0.000 -0.455) 1.918 8.331 ( 3.091 0.000 0.861) 3.209 8.373 ( 0.399 0.000 -3.895) 3.915 8.822 ( -5.803 -0.000 0.147) 5.805 9.089 ( 3.094 0.000 -0.011) 3.094 9.413 ( -1.824 -0.000 -0.082) 1.826 9.775 ( 0.147 0.000 0.431) 0.455 ======================= Grid point 537 (254/324) ======================= q-point: (-0.29 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -9.830 -11.532 -3.303) 15.508 0.935 ( -3.479 -12.318 11.951) 17.512 1.183 ( 0.470 -23.587 1.955) 23.673 1.608 ( 3.158 -10.653 -4.085) 11.839 1.643 ( 3.714 -2.385 -1.492) 4.659 1.918 ( -0.208 -3.408 -3.204) 4.683 2.107 ( -8.940 1.247 2.644) 9.405 2.172 ( -4.268 -4.144 -0.864) 6.011 2.253 ( -12.746 -5.798 1.389) 14.072 2.328 ( -0.866 -2.908 1.819) 3.537 2.491 ( -1.858 -0.147 -1.486) 2.384 2.652 ( -1.303 -5.752 1.069) 5.994 2.793 ( -5.493 2.047 -2.041) 6.207 2.890 ( 1.012 1.405 0.514) 1.806 2.943 ( 0.074 2.752 4.857) 5.583 3.011 ( 0.988 3.400 -1.607) 3.888 3.284 ( -3.031 -5.434 -0.431) 6.237 3.360 ( 3.824 -10.267 -0.777) 10.984 3.495 ( 1.726 4.937 1.955) 5.583 3.868 ( 1.665 1.450 -0.743) 2.330 4.001 ( 0.021 0.111 0.664) 0.673 4.030 ( -0.620 -2.334 -0.211) 2.424 4.213 ( 0.034 2.057 -0.141) 2.062 4.641 ( -1.223 2.992 -0.094) 3.234 5.724 ( 1.720 -29.329 -2.462) 29.482 6.009 ( 6.245 -11.486 0.095) 13.074 6.784 ( 8.690 -1.715 1.658) 9.012 7.400 ( 1.235 0.366 -0.379) 1.343 7.592 ( 1.196 -8.091 0.950) 8.233 7.942 ( -1.659 -3.097 -0.335) 3.529 8.353 ( 1.615 -1.003 -0.660) 2.013 8.400 ( 1.088 -3.081 -2.387) 4.047 8.780 ( -5.155 1.356 0.730) 5.380 9.075 ( -0.386 2.322 0.281) 2.370 9.384 ( -0.779 1.923 -0.247) 2.089 9.765 ( 0.054 1.157 0.279) 1.192 ======================= Grid point 538 (255/324) ======================= q-point: (-0.21 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -8.281 -12.776 -1.662) 15.315 1.143 ( 2.625 -4.615 8.140) 9.718 1.556 ( -3.954 -14.704 4.781) 15.959 1.668 ( 3.319 -3.410 -5.080) 6.961 1.902 ( -4.921 -12.652 -1.702) 13.681 2.010 ( 1.761 -5.879 -4.200) 7.437 2.103 ( -1.429 -6.938 3.927) 8.100 2.244 ( -8.559 -8.216 2.482) 12.121 2.334 ( -5.055 -5.737 -7.785) 10.912 2.447 ( -4.562 -11.162 5.490) 13.249 2.497 ( -0.131 -0.739 -1.980) 2.118 2.671 ( -5.635 1.028 -1.888) 6.031 2.710 ( -5.233 4.683 0.656) 7.053 2.822 ( 0.921 0.875 1.870) 2.261 2.922 ( 4.021 3.955 2.615) 6.217 3.066 ( 0.611 -7.137 0.348) 7.171 3.333 ( 2.473 1.858 1.265) 3.342 3.467 ( -5.223 -6.567 -1.108) 8.464 3.610 ( 6.829 -10.416 0.297) 12.459 3.847 ( 0.606 1.423 -1.393) 2.081 3.919 ( -3.843 4.846 0.544) 6.209 4.099 ( -4.646 -4.345 -0.270) 6.367 4.218 ( 4.980 -0.915 -0.078) 5.064 4.563 ( -1.713 4.425 -0.219) 4.750 6.297 ( 4.329 -18.460 0.276) 18.963 6.314 ( 6.261 -25.824 -3.977) 26.868 6.906 ( 10.058 -6.765 1.745) 12.247 7.427 ( 0.966 -2.468 -0.744) 2.753 7.777 ( 2.141 -10.269 1.100) 10.548 8.011 ( -1.127 -4.786 -0.169) 4.920 8.387 ( -0.819 -2.572 -0.911) 2.849 8.481 ( 0.072 -5.513 -2.102) 5.901 8.745 ( -3.118 -0.200 1.892) 3.652 9.010 ( -4.580 2.960 0.546) 5.481 9.351 ( 1.527 1.512 -0.244) 2.163 9.736 ( -0.054 1.887 0.149) 1.894 ======================= Grid point 539 (256/324) ======================= q-point: (-0.14 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 1.844 2.677 -3.058) 4.463 1.338 ( -3.624 -15.751 4.812) 16.863 1.699 ( -9.597 -5.092 3.350) 11.369 1.781 ( 3.889 -6.772 -0.703) 7.841 1.946 ( -5.667 -0.204 -2.101) 6.048 2.116 ( -0.276 -4.998 -3.676) 6.210 2.313 ( -4.794 -5.629 -1.306) 7.508 2.395 ( -1.300 -6.478 -1.554) 6.788 2.402 ( -4.079 -10.318 0.919) 11.133 2.479 ( 2.640 2.754 -1.657) 4.160 2.552 ( -6.498 -0.103 -1.537) 6.678 2.667 ( -2.275 -2.544 -1.280) 3.645 2.720 ( -1.550 -12.078 1.882) 12.321 2.851 ( -1.077 -1.592 -0.674) 2.037 2.925 ( 4.097 -3.827 8.302) 10.018 3.167 ( -1.087 -2.330 1.573) 3.014 3.319 ( 5.182 -0.428 0.077) 5.200 3.580 ( -5.113 -5.592 -1.455) 7.715 3.754 ( 1.087 0.188 0.229) 1.127 3.787 ( 2.871 3.709 -0.468) 4.714 3.874 ( -2.657 -3.482 -0.308) 4.390 4.153 ( -2.973 -3.685 -0.795) 4.801 4.269 ( 1.851 -2.293 0.178) 2.952 4.467 ( -1.831 4.539 -0.352) 4.907 6.592 ( 1.765 -13.298 1.727) 13.525 6.797 ( 6.340 -21.204 -3.484) 22.404 7.155 ( 9.314 -14.020 0.428) 16.837 7.481 ( 1.366 -2.420 -1.025) 2.962 7.993 ( 1.143 -11.626 0.211) 11.684 8.107 ( -1.445 -6.512 -0.008) 6.671 8.434 ( -3.209 -3.643 -0.533) 4.883 8.590 ( -0.690 -6.558 -2.171) 6.942 8.778 ( 0.792 -3.318 2.496) 4.227 8.934 ( -6.427 2.136 0.508) 6.791 9.342 ( 2.673 0.512 -0.156) 2.726 9.695 ( -0.341 2.402 0.063) 2.427 ======================= Grid point 540 (257/324) ======================= q-point: (-0.07 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 4.198 2.386 -2.654) 5.510 1.618 ( -4.433 -13.922 1.467) 14.685 1.753 ( -6.419 -5.742 0.864) 8.656 1.866 ( -3.112 3.300 0.705) 4.590 1.922 ( -0.433 -4.477 -1.729) 4.819 2.167 ( -1.795 -0.604 -0.904) 2.098 2.316 ( -10.252 -4.061 -2.911) 11.405 2.404 ( 0.702 1.159 -7.842) 7.959 2.461 ( -1.488 -0.219 0.016) 1.504 2.555 ( 3.774 -5.656 1.300) 6.923 2.610 ( -3.375 -4.619 1.905) 6.030 2.720 ( 0.854 -3.448 -0.413) 3.576 2.834 ( 0.558 -1.181 0.428) 1.375 2.950 ( -1.158 -6.207 2.022) 6.630 3.110 ( 2.771 -10.283 4.385) 11.517 3.200 ( 1.541 -3.462 3.050) 4.864 3.374 ( 2.657 -1.353 -0.674) 3.057 3.557 ( -6.444 3.174 -1.028) 7.256 3.718 ( 0.670 0.488 -0.752) 1.119 3.781 ( -1.343 -0.773 -0.409) 1.603 3.939 ( 1.310 -2.339 1.118) 2.904 4.186 ( -0.697 -0.505 -0.773) 1.156 4.308 ( -0.662 -0.654 -0.043) 0.932 4.395 ( -1.906 1.089 -0.390) 2.230 6.821 ( 0.740 -10.528 2.074) 10.755 7.171 ( 6.381 -16.402 -1.766) 17.688 7.462 ( 4.895 -12.133 -1.544) 13.174 7.523 ( 2.611 -2.751 -0.289) 3.804 8.186 ( -2.221 -8.949 -1.719) 9.379 8.268 ( -1.418 -11.524 0.930) 11.648 8.492 ( -2.514 -4.525 -0.272) 5.184 8.698 ( -0.396 -5.444 -1.821) 5.754 8.855 ( -0.810 -1.125 0.761) 1.582 8.888 ( -2.476 -2.440 1.794) 3.912 9.357 ( 2.469 -0.667 -0.046) 2.558 9.644 ( -0.793 2.852 0.005) 2.960 ======================= Grid point 551 (258/324) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -8.128 -0.000 4.433) 9.259 0.837 ( -7.890 -0.000 15.685) 17.558 0.890 ( 2.908 0.000 1.551) 3.296 1.485 ( 3.516 0.000 0.188) 3.521 1.667 ( 1.505 0.000 -4.300) 4.556 1.858 ( -7.299 -0.000 1.283) 7.411 2.078 ( -11.295 -0.000 4.801) 12.273 2.104 ( -3.588 -0.000 -6.269) 7.224 2.151 ( -8.283 -0.000 0.561) 8.302 2.301 ( -0.876 -0.000 -0.525) 1.021 2.531 ( 1.059 0.000 4.536) 4.658 2.537 ( -1.070 -0.000 -0.527) 1.192 2.781 ( -4.480 -0.000 -3.367) 5.604 2.886 ( -1.088 -0.000 1.201) 1.621 3.001 ( -0.332 -0.000 3.145) 3.162 3.123 ( 0.923 0.000 0.011) 0.923 3.143 ( 1.110 0.000 -1.819) 2.131 3.262 ( -1.957 -0.000 -2.407) 3.103 3.593 ( 5.036 0.000 2.679) 5.704 3.904 ( 1.441 0.000 -0.089) 1.444 3.955 ( 1.680 0.000 -0.348) 1.716 4.042 ( -2.657 -0.000 0.539) 2.711 4.242 ( 1.685 0.000 0.573) 1.779 4.669 ( -1.079 -0.000 -0.078) 1.082 5.362 ( -5.243 -0.000 -0.482) 5.265 5.931 ( 7.175 0.000 -0.080) 7.175 6.825 ( 10.897 0.000 3.520) 11.451 7.435 ( 2.067 0.000 0.327) 2.093 7.495 ( 0.296 0.000 0.618) 0.685 7.899 ( -2.485 -0.000 -0.416) 2.519 8.353 ( 2.022 0.000 -2.425) 3.157 8.378 ( 2.122 0.000 -0.968) 2.332 8.777 ( -3.423 -0.000 0.734) 3.501 9.095 ( -2.174 -0.000 -0.096) 2.176 9.400 ( -0.307 -0.000 -0.580) 0.656 9.776 ( -0.192 -0.000 0.170) 0.256 ======================= Grid point 552 (259/324) ======================= q-point: (-0.21 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -8.664 -10.303 2.284) 13.654 0.973 ( -0.810 -15.347 16.567) 22.598 1.210 ( 2.957 -21.666 1.585) 21.924 1.627 ( -2.719 -10.726 1.417) 11.156 1.637 ( 0.263 -0.674 -5.711) 5.756 1.884 ( -5.568 -6.807 3.715) 9.547 2.032 ( -6.904 0.104 2.149) 7.232 2.107 ( -5.968 -2.008 -1.289) 6.428 2.157 ( -5.687 -6.183 -5.955) 10.297 2.323 ( -1.322 -3.242 0.386) 3.522 2.484 ( 0.271 0.506 0.990) 1.145 2.645 ( -1.271 -2.994 1.514) 3.588 2.740 ( -3.759 1.027 -1.200) 4.077 2.887 ( -0.523 2.237 -0.983) 2.498 2.960 ( -1.140 -0.810 3.433) 3.707 3.027 ( 2.984 4.663 0.430) 5.553 3.240 ( -4.271 -6.000 -2.186) 7.683 3.387 ( 2.591 -10.536 -1.574) 10.964 3.527 ( 2.226 5.810 2.172) 6.590 3.881 ( 1.314 1.998 -0.853) 2.539 3.987 ( -5.552 2.528 0.687) 6.140 4.008 ( -0.203 -2.541 0.327) 2.570 4.246 ( 5.542 0.790 0.483) 5.619 4.625 ( -1.805 3.195 -0.253) 3.679 5.740 ( 4.204 -33.163 -4.673) 33.753 6.071 ( 6.057 -10.670 0.183) 12.270 6.898 ( 11.843 -1.100 4.143) 12.595 7.412 ( 1.296 0.762 -0.155) 1.511 7.612 ( 1.861 -8.771 1.528) 9.095 7.924 ( -1.853 -3.695 -0.234) 4.141 8.362 ( 1.577 -0.303 -1.856) 2.454 8.403 ( 0.523 -2.232 -1.930) 2.997 8.748 ( -2.157 1.290 1.846) 3.118 9.042 ( -6.343 3.070 0.123) 7.048 9.385 ( 1.350 1.293 -0.428) 1.918 9.764 ( -0.313 1.106 0.081) 1.152 ======================= Grid point 553 (260/324) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -6.714 -13.505 1.046) 15.118 1.194 ( 0.591 -4.193 7.767) 8.847 1.527 ( -7.356 -9.465 5.645) 13.250 1.685 ( 4.277 -6.515 -3.728) 8.639 1.826 ( -6.918 -10.599 -0.970) 12.694 2.010 ( 0.991 -3.617 -4.024) 5.501 2.124 ( 0.703 -13.475 4.737) 14.301 2.163 ( -8.612 -8.933 3.596) 12.919 2.248 ( -4.590 -6.906 -9.552) 12.649 2.418 ( -4.199 -7.917 0.765) 8.994 2.501 ( 1.232 -1.122 0.645) 1.787 2.632 ( -1.687 0.093 0.201) 1.702 2.662 ( -4.384 5.193 -0.312) 6.803 2.835 ( 0.487 0.924 1.233) 1.616 2.969 ( 2.839 2.698 2.490) 4.641 3.074 ( 0.421 -6.514 1.515) 6.701 3.353 ( 0.164 -3.967 -0.159) 3.973 3.411 ( -4.033 -2.575 -0.726) 4.839 3.670 ( 5.182 -11.415 -0.940) 12.571 3.836 ( -2.652 2.417 -1.545) 3.907 3.889 ( -1.202 5.084 1.070) 5.333 4.059 ( -3.230 -3.485 -0.086) 4.752 4.269 ( 5.108 -0.039 0.328) 5.119 4.542 ( -2.161 4.450 -0.461) 4.969 6.340 ( 4.058 -16.902 0.314) 17.385 6.360 ( 6.981 -26.217 -6.203) 27.830 7.022 ( 11.328 -6.091 2.775) 13.157 7.431 ( 0.455 -2.276 -0.709) 2.427 7.807 ( 2.900 -9.980 1.622) 10.519 8.000 ( -1.076 -4.816 0.078) 4.936 8.372 ( -1.420 -1.295 -0.783) 2.075 8.465 ( -0.987 -5.182 -3.081) 6.109 8.743 ( 0.396 -1.189 3.279) 3.511 8.946 ( -8.329 2.889 0.324) 8.821 9.372 ( 2.591 1.113 -0.231) 2.829 9.734 ( -0.422 1.888 0.009) 1.935 ======================= Grid point 554 (261/324) ======================= q-point: (-0.07 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.602 -1.008 -3.285) 3.489 1.325 ( -2.486 -12.914 3.995) 13.744 1.592 ( -15.133 -5.833 5.479) 17.119 1.823 ( 5.037 -5.074 -1.955) 7.412 1.897 ( -2.220 -0.900 -2.036) 3.144 2.104 ( 0.400 -5.891 -3.195) 6.714 2.217 ( -9.409 -0.120 -4.052) 10.245 2.338 ( -3.928 -7.770 -3.210) 9.279 2.440 ( 3.408 -11.843 4.631) 13.165 2.483 ( -2.613 -1.253 -1.762) 3.392 2.515 ( 1.348 0.980 0.176) 1.676 2.620 ( -3.670 -5.466 -2.917) 7.201 2.741 ( 1.295 -10.364 3.627) 11.056 2.837 ( -1.458 -1.217 0.703) 2.025 2.997 ( 4.123 -3.797 6.846) 8.847 3.157 ( -1.903 -2.707 1.388) 3.588 3.368 ( 4.513 -0.599 0.043) 4.553 3.519 ( -5.485 -5.292 -1.710) 7.811 3.733 ( -4.112 2.492 0.185) 4.812 3.797 ( -0.134 3.000 -2.158) 3.698 3.895 ( 5.507 -4.976 0.740) 7.459 4.116 ( -3.663 -4.783 -0.688) 6.064 4.292 ( 2.459 -0.319 0.171) 2.485 4.444 ( -2.323 4.433 -0.533) 5.033 6.617 ( 1.816 -12.585 1.875) 12.853 6.840 ( 5.335 -21.640 -4.531) 22.744 7.252 ( 9.647 -11.935 0.521) 15.355 7.485 ( 0.207 -3.072 -1.016) 3.243 8.006 ( 1.600 -9.660 -0.065) 9.792 8.092 ( -1.787 -6.458 0.624) 6.730 8.404 ( -2.319 -3.393 -0.242) 4.117 8.570 ( -1.005 -6.926 -2.845) 7.555 8.808 ( 2.414 -3.913 3.351) 5.690 8.862 ( -7.834 1.653 0.147) 8.008 9.369 ( 2.574 0.522 -0.107) 2.629 9.690 ( -0.636 2.498 -0.056) 2.578 ======================= Grid point 566 (262/324) ======================= q-point: (-0.21 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -4.937 -0.000 10.610) 11.702 0.871 ( -1.846 -0.000 23.957) 24.029 0.924 ( 2.770 0.000 1.124) 2.990 1.527 ( 3.975 0.000 2.058) 4.477 1.567 ( -19.417 -0.000 1.163) 19.452 1.821 ( -2.203 -0.000 5.846) 6.247 2.019 ( -1.272 -0.000 -2.638) 2.928 2.023 ( -5.598 -0.000 -10.218) 11.651 2.099 ( -4.104 -0.000 1.828) 4.493 2.282 ( -1.694 -0.000 -1.952) 2.585 2.529 ( -0.536 -0.000 0.074) 0.541 2.574 ( 2.437 0.000 6.979) 7.392 2.727 ( -3.467 -0.000 -3.207) 4.723 2.871 ( -2.337 -0.000 -0.888) 2.501 3.003 ( -2.616 -0.000 3.730) 4.556 3.133 ( 0.911 0.000 0.116) 0.918 3.136 ( 1.149 0.000 -3.983) 4.145 3.249 ( 0.808 0.000 -3.362) 3.458 3.648 ( 3.776 0.000 1.273) 3.984 3.919 ( 1.558 0.000 -0.008) 1.558 3.943 ( -4.178 -0.000 -0.585) 4.219 4.020 ( -0.459 -0.000 1.684) 1.746 4.290 ( 6.167 0.000 1.035) 6.253 4.655 ( -1.732 -0.000 -0.035) 1.732 5.312 ( -4.336 -0.000 -0.464) 4.361 5.999 ( 6.366 0.000 0.073) 6.367 6.974 ( 15.199 0.000 6.665) 16.596 7.459 ( 2.173 0.000 1.100) 2.435 7.501 ( 0.461 0.000 0.618) 0.771 7.871 ( -2.687 -0.000 -0.410) 2.718 8.364 ( 2.314 0.000 -2.959) 3.756 8.394 ( 1.853 0.000 -1.187) 2.201 8.762 ( -0.517 -0.000 1.541) 1.626 9.041 ( -8.403 -0.000 -0.902) 8.451 9.404 ( 1.572 0.000 -0.560) 1.669 9.773 ( -0.507 -0.000 0.002) 0.507 ======================= Grid point 567 (263/324) ======================= q-point: (-0.14 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -4.304 -8.713 7.677) 12.384 1.037 ( -1.603 -13.248 18.150) 22.528 1.246 ( 3.079 -20.792 0.464) 21.024 1.504 ( -17.463 -5.636 5.975) 19.298 1.671 ( 5.474 -7.570 -2.022) 9.558 1.856 ( -4.036 -7.835 4.763) 10.018 1.992 ( -1.439 -0.303 -3.983) 4.246 2.049 ( -4.275 -3.033 -3.823) 6.488 2.094 ( -2.417 -3.674 -2.789) 5.207 2.304 ( -2.141 -3.483 -1.197) 4.260 2.498 ( 1.245 0.521 2.143) 2.533 2.636 ( -1.496 0.264 0.620) 1.641 2.709 ( -2.252 0.639 0.154) 2.346 2.881 ( -0.040 -0.384 0.087) 0.395 2.948 ( -2.783 0.016 1.074) 2.983 3.065 ( 3.290 3.005 1.495) 4.700 3.189 ( -3.282 -4.976 -3.854) 7.099 3.399 ( 1.304 -9.862 -2.140) 10.175 3.544 ( -0.244 5.169 1.103) 5.291 3.878 ( -1.628 2.826 -0.644) 3.324 3.948 ( -1.553 0.556 1.119) 1.994 4.011 ( -0.023 -0.003 0.616) 0.616 4.310 ( 6.275 0.988 1.010) 6.432 4.603 ( -2.363 3.330 -0.470) 4.111 5.766 ( 5.576 -36.225 -7.895) 37.492 6.128 ( 5.085 -10.043 0.331) 11.262 7.047 ( 13.894 0.886 5.813) 15.087 7.423 ( 1.116 1.307 -0.053) 1.719 7.642 ( 2.784 -9.661 2.425) 10.343 7.905 ( -1.659 -4.450 -0.201) 4.753 8.373 ( 2.035 0.931 -1.386) 2.632 8.392 ( -0.680 -1.237 -2.970) 3.288 8.750 ( 0.294 0.904 2.830) 2.986 8.955 ( -10.652 2.905 -0.243) 11.044 9.403 ( 2.316 0.881 -0.293) 2.495 9.760 ( -0.547 1.069 -0.027) 1.201 ======================= Grid point 568 (264/324) ======================= q-point: (-0.07 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -3.596 -12.629 4.218) 13.792 1.199 ( -6.078 -5.181 6.589) 10.354 1.452 ( -10.443 -2.935 4.845) 11.880 1.723 ( 3.451 -14.377 0.835) 14.809 1.789 ( 1.697 -5.801 -3.332) 6.902 1.995 ( -1.037 -3.151 -3.451) 4.787 2.092 ( -5.569 -12.085 4.845) 14.161 2.156 ( -1.175 -5.898 -1.424) 6.180 2.184 ( -0.584 -13.486 -4.176) 14.130 2.380 ( -2.689 -5.822 -0.414) 6.426 2.518 ( 0.476 -1.153 2.347) 2.658 2.624 ( -2.514 5.618 -1.028) 6.240 2.629 ( 0.152 -2.457 1.049) 2.676 2.841 ( -0.280 1.711 0.728) 1.880 2.992 ( 0.473 -0.989 0.643) 1.271 3.089 ( 0.838 -3.254 2.564) 4.226 3.317 ( -4.403 -10.883 -2.311) 11.965 3.405 ( 1.328 2.126 0.743) 2.614 3.699 ( 1.853 -11.898 -2.514) 12.301 3.793 ( -4.120 4.185 -0.532) 5.897 3.903 ( 2.415 3.291 1.037) 4.212 4.033 ( -2.204 -2.226 0.202) 3.139 4.319 ( 4.626 1.098 0.622) 4.795 4.516 ( -2.624 4.441 -0.730) 5.210 6.377 ( 3.286 -17.662 -0.777) 17.982 6.398 ( 5.697 -24.484 -6.993) 26.093 7.145 ( 10.529 -4.853 3.118) 12.005 7.430 ( -0.231 -1.729 -0.746) 1.897 7.847 ( 3.534 -9.423 2.346) 10.333 7.990 ( -1.000 -4.691 0.185) 4.800 8.353 ( -1.773 -0.478 -0.305) 1.861 8.444 ( -0.204 -4.871 -3.544) 6.027 8.769 ( 1.111 -1.860 3.845) 4.413 8.858 ( -8.770 2.058 -0.014) 9.008 9.396 ( 2.385 1.016 -0.168) 2.598 9.729 ( -0.592 1.912 -0.072) 2.002 ======================= Grid point 581 (265/324) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.118 0.000 15.009) 15.010 0.952 ( 1.837 0.000 1.120) 2.151 0.956 ( -3.530 -0.000 24.213) 24.469 1.379 ( -19.509 -0.000 13.317) 23.621 1.578 ( 3.918 0.000 3.314) 5.132 1.825 ( 0.323 0.000 -0.737) 0.804 1.919 ( -6.170 -0.000 -12.258) 13.723 2.016 ( 1.986 0.000 -3.958) 4.428 2.080 ( -1.756 -0.000 3.922) 4.297 2.253 ( -2.214 -0.000 -2.903) 3.651 2.528 ( 0.318 0.000 1.068) 1.115 2.629 ( 2.785 0.000 7.300) 7.814 2.689 ( -2.076 -0.000 -2.421) 3.189 2.834 ( -3.701 -0.000 -1.468) 3.981 2.977 ( -4.858 -0.000 2.918) 5.667 3.141 ( 0.673 0.000 0.062) 0.676 3.152 ( 5.807 0.000 -5.573) 8.048 3.237 ( -0.029 -0.000 -5.334) 5.334 3.660 ( -1.860 -0.000 -1.459) 2.364 3.902 ( -2.238 -0.000 0.141) 2.242 3.934 ( 1.387 0.000 0.084) 1.389 4.038 ( 1.784 0.000 1.662) 2.438 4.358 ( 6.261 0.000 1.196) 6.374 4.635 ( -2.096 -0.000 0.049) 2.096 5.273 ( -3.056 -0.000 -0.511) 3.098 6.055 ( 4.842 0.000 0.230) 4.848 7.177 ( 19.300 0.000 7.546) 20.723 7.486 ( 2.088 0.000 1.876) 2.807 7.508 ( 0.469 0.000 0.641) 0.794 7.844 ( -2.308 -0.000 -0.441) 2.350 8.368 ( 0.984 0.000 -3.563) 3.696 8.412 ( 2.811 0.000 -1.050) 3.001 8.773 ( 0.789 0.000 1.808) 1.973 8.928 ( -12.781 -0.000 -1.248) 12.841 9.422 ( 2.143 0.000 -0.232) 2.156 9.767 ( -0.557 -0.000 -0.035) 0.558 ======================= Grid point 582 (266/324) ======================= q-point: (-0.07 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.568 -6.306 11.631) 13.242 1.038 ( -12.348 -7.474 13.960) 20.080 1.268 ( 1.395 -20.703 -0.735) 20.763 1.413 ( -6.886 -8.943 15.367) 19.067 1.726 ( 6.767 -7.694 -0.547) 10.261 1.833 ( -2.027 -7.009 -0.861) 7.347 1.949 ( -2.828 -5.540 -6.719) 9.156 2.001 ( -2.344 -0.713 -3.038) 3.903 2.085 ( 0.384 -1.409 0.934) 1.734 2.277 ( -2.017 -3.907 -1.243) 4.570 2.526 ( 2.338 0.340 3.005) 3.823 2.624 ( -0.954 1.584 -0.130) 1.854 2.689 ( -2.430 1.956 0.543) 3.167 2.891 ( 1.250 -3.558 1.998) 4.268 2.918 ( -3.599 0.560 -0.161) 3.645 3.087 ( -1.579 0.656 1.100) 2.033 3.156 ( 2.199 -0.905 -6.258) 6.695 3.396 ( 0.087 -10.120 -2.734) 10.484 3.532 ( -2.299 3.301 0.101) 4.024 3.857 ( -1.699 3.611 0.217) 3.997 3.957 ( 1.496 -0.169 1.130) 1.883 4.011 ( -0.397 1.480 0.685) 1.678 4.373 ( 5.273 1.463 1.271) 5.618 4.575 ( -2.733 3.508 -0.674) 4.498 5.779 ( 4.256 -37.849 -10.645) 39.547 6.173 ( 3.465 -9.621 0.459) 10.236 7.205 ( 12.629 4.431 5.033) 14.298 7.432 ( 0.690 1.881 -0.126) 2.007 7.689 ( 4.310 -10.398 3.331) 11.739 7.891 ( -0.893 -5.163 -0.341) 5.251 8.366 ( -2.191 1.052 -2.117) 3.223 8.391 ( 2.400 0.656 -1.678) 3.001 8.766 ( -0.356 0.463 2.994) 3.051 8.846 ( -9.730 1.435 -0.101) 9.836 9.425 ( 2.049 0.772 -0.146) 2.194 9.754 ( -0.499 1.080 -0.047) 1.190 ======================= Grid point 596 (267/324) ======================= q-point: (-0.07 -0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 4.633 0.000 16.070) 16.724 0.929 ( -16.348 -0.000 16.443) 23.187 0.969 ( 0.398 0.000 1.685) 1.732 1.366 ( -0.322 -0.000 26.962) 26.964 1.629 ( 3.473 0.000 3.829) 5.170 1.808 ( -5.847 -0.000 -13.265) 14.497 1.826 ( 3.486 0.000 -6.716) 7.567 2.006 ( -1.141 -0.000 -3.168) 3.367 2.099 ( 1.111 0.000 5.438) 5.550 2.217 ( -2.456 -0.000 -3.366) 4.167 2.551 ( 2.997 0.000 2.578) 3.953 2.661 ( -2.495 -0.000 -1.484) 2.903 2.684 ( 2.705 0.000 6.591) 7.125 2.796 ( -2.817 -0.000 -0.711) 2.905 2.933 ( -5.775 -0.000 1.439) 5.952 3.146 ( 0.312 0.000 -0.101) 0.328 3.196 ( 6.304 0.000 -7.063) 9.467 3.204 ( 0.162 0.000 -8.371) 8.372 3.609 ( -5.814 -0.000 -1.695) 6.056 3.900 ( 0.930 0.000 -0.302) 0.978 3.946 ( 0.902 0.000 0.142) 0.913 4.056 ( 0.448 0.000 0.770) 0.890 4.418 ( 4.594 0.000 1.208) 4.750 4.615 ( -1.865 -0.000 0.026) 1.865 5.248 ( -1.494 -0.000 -0.565) 1.597 6.095 ( 2.744 0.000 0.309) 2.761 7.386 ( 15.739 0.000 2.917) 16.007 7.514 ( 0.167 0.000 0.682) 0.702 7.522 ( 4.529 0.000 2.897) 5.376 7.824 ( -1.246 -0.000 -0.493) 1.340 8.353 ( -1.874 -0.000 -3.216) 3.722 8.433 ( 1.584 0.000 -0.499) 1.661 8.770 ( -4.704 -0.000 1.105) 4.832 8.817 ( -5.286 -0.000 0.609) 5.321 9.442 ( 1.809 0.000 -0.114) 1.813 9.762 ( -0.316 -0.000 0.001) 0.316 ======================= Grid point 597 (268/324) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.000 0.000 0.000) 0.000 1.060 ( 0.000 0.000 0.000) 0.000 1.140 ( 0.000 0.000 -0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.722 ( -0.000 -0.000 0.000) 0.000 1.849 ( -0.000 -0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.200 ( 0.000 0.000 0.000) 0.000 2.596 ( -0.000 -0.000 0.000) 0.000 2.675 ( -0.000 -0.000 0.000) 0.000 2.768 ( -0.000 -0.000 0.000) 0.000 2.793 ( -0.000 -0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.113 ( -0.000 -0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.560 ( -0.000 -0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.058 ( -0.000 -0.000 0.000) 0.000 4.464 ( -0.000 -0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 5.233 ( -0.000 -0.000 0.000) 0.000 6.114 ( -0.000 -0.000 0.000) 0.000 7.463 ( -0.000 -0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.608 ( 0.000 0.000 0.000) 0.000 7.811 ( -0.000 -0.000 0.000) 0.000 8.304 ( -0.000 -0.000 0.000) 0.000 8.435 ( 0.000 0.000 0.000) 0.000 8.756 ( -0.000 -0.000 -0.000) 0.000 8.815 ( 0.000 0.000 0.000) 0.000 9.450 ( -0.000 -0.000 0.000) 0.000 9.761 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 599 (269/324) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -2.510 -5.808 -3.849) 7.406 1.087 ( 5.693 -1.710 1.993) 6.269 1.369 ( -0.310 -18.151 -7.705) 19.721 1.425 ( 1.397 1.761 9.607) 9.866 1.723 ( 1.305 -1.346 -1.705) 2.534 1.816 ( -0.586 -12.469 -0.950) 12.519 1.941 ( -0.163 0.788 0.668) 1.046 2.052 ( -0.276 -12.672 -3.340) 13.107 2.067 ( 1.895 1.631 -0.078) 2.501 2.284 ( 0.488 -6.006 -0.024) 6.026 2.586 ( -2.266 -0.016 0.917) 2.445 2.653 ( -1.731 2.018 -2.631) 3.740 2.678 ( 1.711 4.879 0.166) 5.172 2.816 ( 1.946 0.318 2.856) 3.471 2.918 ( -0.778 5.458 0.820) 5.574 3.021 ( 0.370 -11.966 1.162) 12.028 3.119 ( 2.330 -1.016 -1.946) 3.202 3.334 ( -0.140 -13.378 0.733) 13.398 3.512 ( 1.046 2.905 0.066) 3.088 3.852 ( -0.170 4.380 0.146) 4.386 3.986 ( -0.627 -2.487 -0.178) 2.571 4.019 ( 0.114 3.321 0.055) 3.324 4.437 ( -2.682 2.039 -0.280) 3.381 4.536 ( 1.815 4.561 0.230) 4.914 5.643 ( -0.292 -34.121 0.884) 34.134 6.206 ( -1.226 -9.648 -0.104) 9.726 7.354 ( -3.650 6.842 -0.729) 7.789 7.431 ( 0.315 2.571 0.039) 2.591 7.787 ( -2.704 -10.353 -0.542) 10.714 7.881 ( 0.962 -5.992 -0.379) 6.081 8.312 ( -0.372 -1.002 1.011) 1.472 8.395 ( -0.295 3.050 -0.321) 3.081 8.756 ( 4.198 0.952 -0.111) 4.306 8.825 ( -0.438 -1.121 -0.023) 1.204 9.440 ( -0.645 0.881 -0.121) 1.099 9.750 ( 0.134 1.197 0.029) 1.204 ======================= Grid point 600 (270/324) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -2.674 -2.836 -5.318) 6.593 1.180 ( 5.548 -4.644 2.419) 7.629 1.395 ( 4.099 -1.149 5.299) 6.797 1.745 ( -0.231 -13.639 -1.259) 13.699 1.763 ( 3.774 -2.762 -2.921) 5.514 1.940 ( 1.268 -1.470 1.074) 2.219 2.007 ( -0.497 -2.260 0.944) 2.499 2.126 ( 2.059 -12.860 1.675) 13.131 2.304 ( -2.788 -10.825 -6.204) 12.784 2.415 ( 0.938 -7.087 -0.474) 7.165 2.572 ( 0.495 3.023 -0.578) 3.118 2.605 ( 0.297 -2.480 -0.170) 2.504 2.650 ( -2.373 -1.822 -0.808) 3.099 2.822 ( 1.681 -0.249 1.115) 2.033 2.901 ( 2.531 -3.425 3.510) 5.519 3.161 ( 0.878 -3.840 -1.421) 4.187 3.265 ( 2.224 -11.427 -1.005) 11.685 3.433 ( -0.113 1.010 -0.687) 1.227 3.632 ( -0.521 -11.927 1.750) 12.066 3.754 ( 1.274 5.912 0.529) 6.071 3.946 ( -1.509 2.651 -0.158) 3.054 4.031 ( 0.424 -1.797 -0.423) 1.894 4.374 ( -3.683 2.478 -0.262) 4.446 4.468 ( 2.794 4.352 0.531) 5.199 6.273 ( -1.871 -31.499 1.853) 31.609 6.427 ( -1.780 -13.820 -0.261) 13.937 7.283 ( -6.589 -2.047 -0.669) 6.932 7.413 ( 1.519 -0.811 -0.129) 1.727 7.926 ( -4.494 -6.633 -0.181) 8.014 7.993 ( 1.996 -4.878 -0.928) 5.351 8.344 ( 0.811 -1.817 0.224) 2.002 8.383 ( -0.429 -3.585 0.503) 3.645 8.763 ( 6.734 1.177 0.260) 6.842 8.851 ( -1.570 -2.362 -0.593) 2.898 9.415 ( -1.194 1.066 -0.160) 1.608 9.720 ( 0.341 2.019 0.106) 2.050 ======================= Grid point 601 (271/324) ======================= q-point: ( 0.21 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -3.516 1.850 1.567) 4.270 1.347 ( 3.363 -10.636 -0.871) 11.189 1.498 ( 5.530 -5.612 5.547) 9.635 1.815 ( 4.420 -1.379 -2.139) 5.101 1.895 ( 1.253 -4.049 -2.673) 5.011 1.997 ( 5.580 -2.019 3.715) 7.001 2.082 ( 1.251 -4.568 -0.045) 4.737 2.257 ( -0.547 -0.372 1.219) 1.387 2.441 ( -0.653 -4.390 0.299) 4.449 2.520 ( 0.444 -3.573 1.175) 3.788 2.594 ( -1.846 -7.132 -2.238) 7.699 2.634 ( -1.628 -3.221 -4.958) 6.132 2.741 ( 1.269 -4.667 1.374) 5.028 2.914 ( -0.143 -9.055 -2.776) 9.472 3.033 ( 3.666 -7.124 3.117) 8.597 3.236 ( 0.093 -3.983 -3.942) 5.604 3.413 ( -2.734 -0.290 -0.449) 2.786 3.447 ( 2.832 -4.991 0.141) 5.740 3.675 ( 3.931 2.342 1.267) 4.748 3.736 ( 0.341 1.220 1.449) 1.925 3.959 ( -5.794 -4.405 0.465) 7.293 4.079 ( 3.150 -3.623 -0.519) 4.829 4.320 ( -2.475 1.416 -0.055) 2.852 4.402 ( 2.616 4.118 0.582) 4.913 6.666 ( -1.884 -12.605 -0.093) 12.745 6.790 ( -2.218 -24.614 1.154) 24.741 7.340 ( -8.392 -7.362 0.777) 11.190 7.477 ( 1.601 -4.461 -0.850) 4.815 8.007 ( -1.642 -4.959 0.592) 5.257 8.105 ( 1.127 -7.115 -0.833) 7.252 8.395 ( 0.572 -3.545 -0.336) 3.607 8.508 ( 0.831 -8.128 0.787) 8.208 8.779 ( 7.090 0.842 0.500) 7.158 8.894 ( -2.414 -3.426 -1.005) 4.310 9.392 ( -1.579 0.562 -0.204) 1.688 9.679 ( 0.554 2.626 0.201) 2.691 ======================= Grid point 602 (272/324) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -5.429 0.196 3.235) 6.322 1.568 ( 3.136 -9.592 1.861) 10.261 1.662 ( 3.774 -8.570 3.154) 9.881 1.804 ( 0.973 4.118 1.974) 4.670 1.971 ( 4.495 -3.665 -4.650) 7.434 2.073 ( 12.497 -0.396 1.118) 12.553 2.175 ( 2.838 -4.048 1.951) 5.315 2.266 ( -4.578 -3.796 2.116) 6.312 2.464 ( -0.311 -0.336 0.077) 0.464 2.566 ( -0.382 -1.395 0.762) 1.635 2.678 ( 0.885 -3.738 -2.844) 4.779 2.738 ( -1.395 -6.034 -0.723) 6.235 2.839 ( -0.727 -4.862 -0.435) 4.935 3.029 ( -0.642 -2.578 -2.868) 3.909 3.199 ( 1.417 -8.343 0.949) 8.516 3.283 ( -1.914 -1.827 -2.595) 3.706 3.394 ( -1.527 0.807 -0.720) 1.871 3.478 ( 4.094 1.621 0.335) 4.416 3.708 ( 1.150 -2.590 0.081) 2.835 3.742 ( 2.484 -2.141 0.600) 3.334 3.982 ( -4.128 -1.566 0.282) 4.423 4.151 ( 1.424 -0.837 0.502) 1.726 4.304 ( -0.275 0.349 0.158) 0.472 4.361 ( 2.158 0.491 0.459) 2.260 6.868 ( -1.282 -10.106 -0.341) 10.193 7.179 ( -3.649 -18.460 0.759) 18.832 7.453 ( -3.890 -6.339 1.701) 7.629 7.562 ( -2.937 -5.741 -0.697) 6.486 8.130 ( 1.879 -7.942 0.784) 8.199 8.271 ( 1.801 -9.843 -0.503) 10.019 8.479 ( 0.312 -5.197 -0.152) 5.208 8.659 ( 0.884 -6.832 0.371) 6.899 8.804 ( 5.622 0.089 0.602) 5.655 8.947 ( -2.586 -3.655 -0.857) 4.559 9.382 ( -1.759 -0.537 -0.268) 1.858 9.630 ( 0.830 3.046 0.288) 3.170 ======================= Grid point 603 (273/324) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -6.488 -4.899 2.355) 8.464 1.648 ( 4.538 6.353 1.495) 7.949 1.760 ( 0.285 -2.459 3.663) 4.421 1.854 ( 2.446 -8.185 1.265) 8.636 2.045 ( 2.201 -3.000 -1.766) 4.119 2.137 ( 9.836 -0.895 -0.565) 9.892 2.268 ( 1.530 -4.906 3.594) 6.271 2.346 ( -1.236 -3.141 0.505) 3.413 2.507 ( 1.608 -5.190 -0.254) 5.440 2.583 ( 1.361 -0.420 0.740) 1.605 2.747 ( 0.430 -3.739 -1.184) 3.945 2.805 ( -3.153 -1.456 -1.111) 3.646 2.889 ( -0.957 -2.802 -0.506) 3.004 3.013 ( -1.171 2.896 -3.023) 4.347 3.261 ( 0.075 2.239 2.314) 3.221 3.310 ( 0.535 -2.284 0.222) 2.356 3.396 ( -0.642 -0.133 -1.129) 1.305 3.494 ( 1.100 -3.341 -1.154) 3.702 3.771 ( 2.353 -0.582 -0.022) 2.424 3.791 ( -0.307 -4.089 -1.572) 4.392 3.998 ( -1.434 -1.716 -0.412) 2.274 4.142 ( 1.344 1.560 1.332) 2.452 4.276 ( -0.138 1.929 0.326) 1.961 4.402 ( 1.558 -2.132 0.234) 2.651 7.032 ( -0.496 -8.098 -0.404) 8.123 7.423 ( -6.316 -7.337 0.588) 9.699 7.506 ( -1.746 -4.297 0.996) 4.744 7.697 ( -0.889 -8.567 0.463) 8.625 8.310 ( 2.995 -9.567 0.409) 10.034 8.463 ( 4.263 -8.346 -0.094) 9.372 8.585 ( -1.291 -6.146 0.070) 6.280 8.761 ( 0.137 -3.672 -0.085) 3.675 8.828 ( 3.399 -0.066 0.482) 3.433 8.996 ( -2.435 -2.840 -0.311) 3.754 9.395 ( -1.823 -1.882 -0.288) 2.636 9.577 ( 1.284 3.188 0.332) 3.453 ======================= Grid point 604 (274/324) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -6.429 -8.106 0.780) 10.375 1.506 ( 5.387 9.830 1.245) 11.278 1.825 ( 0.303 -2.480 1.700) 3.022 1.959 ( 1.070 -2.311 0.718) 2.646 2.096 ( 0.604 -1.811 -0.287) 1.930 2.206 ( 4.419 -2.218 -0.347) 4.957 2.353 ( 0.062 -0.066 0.118) 0.148 2.403 ( 1.905 -6.523 2.645) 7.292 2.580 ( -1.768 -1.254 -0.685) 2.274 2.635 ( 3.714 -1.975 0.413) 4.226 2.786 ( -2.961 -0.203 1.247) 3.219 2.821 ( 1.121 -3.250 0.683) 3.505 2.908 ( 0.952 3.470 -4.751) 5.960 2.958 ( -1.098 -2.248 -0.249) 2.515 3.243 ( 0.847 0.612 2.844) 3.030 3.315 ( -2.587 1.001 -0.560) 2.830 3.359 ( 1.156 2.742 -0.188) 2.982 3.578 ( -1.747 -4.767 -1.927) 5.431 3.759 ( 2.485 2.193 0.120) 3.317 3.858 ( -0.253 -2.609 -0.922) 2.779 4.032 ( 0.092 -2.530 -0.775) 2.648 4.126 ( 0.634 1.214 0.947) 1.665 4.244 ( -0.102 1.357 0.397) 1.418 4.435 ( 0.776 -0.827 0.131) 1.142 7.168 ( 1.039 -6.476 -0.430) 6.573 7.395 ( -4.565 3.238 0.431) 5.614 7.634 ( -2.830 -6.565 1.032) 7.223 7.826 ( 1.310 -4.523 0.032) 4.709 8.499 ( 3.120 -8.506 0.101) 9.060 8.605 ( 4.865 -4.238 0.205) 6.456 8.675 ( -2.796 -3.851 0.285) 4.768 8.785 ( -1.841 0.633 -0.483) 2.006 8.850 ( 2.432 -0.741 0.272) 2.557 9.023 ( -1.922 -1.329 0.005) 2.337 9.430 ( -1.933 -2.725 -0.238) 3.349 9.527 ( 1.796 3.026 0.300) 3.531 ======================= Grid point 605 (275/324) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.000 0.000 0.000) 0.000 1.400 ( -0.000 -0.000 0.000) 0.000 1.851 ( -0.000 0.000 0.000) 0.000 1.980 ( -0.000 0.000 0.000) 0.000 2.115 ( -0.000 0.000 0.000) 0.000 2.240 ( 0.000 0.000 0.000) 0.000 2.350 ( -0.000 -0.000 0.000) 0.000 2.503 ( -0.000 0.000 0.000) 0.000 2.585 ( 0.000 -0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 -0.000) 0.000 2.806 ( 0.000 -0.000 0.000) 0.000 2.920 ( -0.000 0.000 0.000) 0.000 2.982 ( -0.000 0.000 0.000) 0.000 3.246 ( -0.000 -0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.338 ( -0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.739 ( -0.000 0.000 0.000) 0.000 3.880 ( -0.000 -0.000 0.000) 0.000 4.071 ( -0.000 0.000 0.000) 0.000 4.105 ( -0.000 0.000 0.000) 0.000 4.231 ( 0.000 -0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 7.265 ( -0.000 0.000 0.000) 0.000 7.317 ( 0.000 -0.000 0.000) 0.000 7.692 ( 0.000 0.000 0.000) 0.000 7.871 ( -0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 8.657 ( -0.000 0.000 0.000) 0.000 8.690 ( -0.000 0.000 0.000) 0.000 8.760 ( 0.000 -0.000 0.000) 0.000 8.866 ( -0.000 -0.000 0.000) 0.000 9.030 ( -0.000 0.000 0.000) 0.000 9.463 ( -0.000 0.000 0.000) 0.000 9.492 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 614 (276/324) ======================= q-point: ( 0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -2.411 -0.000 -1.953) 3.102 1.110 ( -1.755 -0.000 -8.349) 8.531 1.122 ( 11.065 0.000 1.702) 11.196 1.536 ( 4.988 0.000 9.267) 10.524 1.661 ( -7.822 -0.000 -3.759) 8.679 1.707 ( -1.885 -0.000 -2.554) 3.174 1.882 ( 9.573 0.000 -8.784) 12.992 1.959 ( -0.386 -0.000 1.209) 1.269 2.150 ( 1.212 0.000 2.211) 2.521 2.200 ( 0.663 0.000 -1.941) 2.051 2.569 ( -4.598 -0.000 0.719) 4.654 2.666 ( -0.742 -0.000 -2.199) 2.321 2.779 ( 1.603 0.000 1.240) 2.027 2.784 ( -0.826 -0.000 -2.284) 2.429 2.891 ( 2.617 0.000 5.027) 5.667 3.044 ( 0.195 0.000 3.735) 3.740 3.126 ( 3.456 0.000 -2.186) 4.089 3.142 ( -0.175 -0.000 0.176) 0.248 3.577 ( 2.585 0.000 1.383) 2.932 3.897 ( -0.461 -0.000 0.013) 0.461 3.949 ( -0.827 -0.000 -0.119) 0.835 4.057 ( -0.371 -0.000 0.506) 0.627 4.438 ( -4.634 -0.000 -0.628) 4.676 4.614 ( 2.066 0.000 0.141) 2.071 5.242 ( 1.822 0.000 -0.022) 1.823 6.101 ( -2.622 -0.000 -0.192) 2.629 7.423 ( -8.098 -0.000 -1.094) 8.172 7.522 ( -0.599 -0.000 0.072) 0.603 7.580 ( -3.750 -0.000 -2.218) 4.356 7.819 ( 1.612 0.000 -0.067) 1.614 8.303 ( -0.321 -0.000 1.625) 1.656 8.430 ( -1.400 -0.000 -0.262) 1.424 8.790 ( 4.789 0.000 -0.586) 4.824 8.820 ( 2.663 0.000 0.561) 2.722 9.443 ( -1.274 -0.000 -0.286) 1.306 9.762 ( 0.202 0.000 0.036) 0.205 ======================= Grid point 615 (277/324) ======================= q-point: ( 0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -3.587 -4.873 -7.024) 9.271 1.189 ( 11.768 -0.838 2.674) 12.097 1.338 ( 0.208 -19.845 -6.955) 21.030 1.476 ( 0.172 1.710 8.709) 8.877 1.731 ( 2.207 -3.157 -4.652) 6.040 1.803 ( -0.609 -13.469 -0.809) 13.507 1.942 ( -0.705 0.908 1.841) 2.170 2.042 ( 4.009 -10.384 -7.936) 13.670 2.096 ( 3.507 1.595 0.404) 3.873 2.288 ( 0.656 -6.177 -1.277) 6.341 2.557 ( -3.607 -1.200 1.559) 4.108 2.626 ( -1.390 2.186 -2.587) 3.661 2.698 ( 2.472 4.849 -0.008) 5.443 2.860 ( 2.902 -0.825 4.774) 5.648 2.908 ( -1.757 3.154 0.965) 3.737 3.039 ( 1.667 -8.020 2.667) 8.614 3.142 ( 4.217 -1.708 -3.954) 6.027 3.337 ( -0.374 -13.280 2.039) 13.441 3.531 ( 2.302 3.992 0.129) 4.610 3.852 ( 0.289 3.878 0.481) 3.918 3.975 ( -1.228 -1.746 -0.493) 2.190 4.020 ( 0.104 2.618 0.091) 2.621 4.392 ( -5.507 1.752 -0.561) 5.806 4.563 ( 2.880 4.286 0.408) 5.180 5.645 ( -0.642 -33.092 2.254) 33.175 6.181 ( -3.496 -9.870 -0.271) 10.474 7.281 ( -9.595 5.570 -2.221) 11.315 7.433 ( -0.180 2.499 -0.086) 2.507 7.741 ( -5.188 -10.290 -1.311) 11.598 7.893 ( 1.636 -5.820 -0.617) 6.077 8.319 ( 0.869 -1.424 1.669) 2.360 8.385 ( -1.329 2.753 -0.535) 3.104 8.805 ( 0.425 -0.691 -0.624) 1.023 8.839 ( 7.882 1.281 0.598) 8.008 9.426 ( -1.770 0.844 -0.311) 1.985 9.752 ( 0.355 1.144 0.104) 1.202 ======================= Grid point 616 (278/324) ======================= q-point: ( 0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -1.818 -4.618 -5.106) 7.121 1.257 ( 7.775 -1.078 1.133) 7.931 1.461 ( 3.573 -2.565 7.128) 8.376 1.735 ( -0.353 -14.629 -2.236) 14.803 1.797 ( 5.946 -3.394 -5.493) 8.778 1.953 ( -0.182 -2.756 1.628) 3.206 2.014 ( 0.413 -4.913 3.420) 6.000 2.164 ( 4.439 -10.865 1.464) 11.828 2.266 ( 1.092 -10.265 -6.578) 12.241 2.407 ( -0.834 -6.086 -2.719) 6.718 2.580 ( 0.734 0.247 -1.243) 1.464 2.600 ( -0.410 0.551 -0.503) 0.851 2.638 ( 0.803 -2.094 0.506) 2.299 2.840 ( 0.971 0.868 0.522) 1.403 2.944 ( 2.539 -4.332 4.148) 6.513 3.159 ( 0.096 -4.050 -2.804) 4.927 3.293 ( 4.060 -10.844 -0.528) 11.591 3.428 ( -0.193 2.497 -1.357) 2.849 3.633 ( -1.408 -11.992 2.980) 12.437 3.777 ( 2.809 4.668 0.841) 5.512 3.925 ( -2.199 3.738 -0.575) 4.375 4.038 ( 1.411 -2.435 -0.255) 2.826 4.330 ( -4.840 1.626 -0.359) 5.118 4.499 ( 2.861 4.413 0.697) 5.305 6.258 ( -3.120 -30.971 3.129) 31.284 6.400 ( -3.237 -14.449 -0.451) 14.814 7.195 ( -10.088 -2.172 -1.467) 10.423 7.424 ( 0.728 -1.613 -0.184) 1.779 7.877 ( -4.926 -7.510 -0.493) 8.994 8.003 ( 0.901 -5.076 -0.808) 5.219 8.359 ( 1.654 -0.714 -0.820) 1.979 8.387 ( 1.385 -5.141 1.575) 5.553 8.825 ( -2.090 -2.188 -1.275) 3.284 8.849 ( 8.772 2.034 0.720) 9.033 9.398 ( -2.143 1.013 -0.286) 2.387 9.725 ( 0.494 1.961 0.204) 2.033 ======================= Grid point 617 (279/324) ======================= q-point: ( 0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -2.538 2.327 2.656) 4.349 1.382 ( 4.604 -9.874 -1.515) 10.999 1.571 ( 3.429 -5.094 7.272) 9.518 1.860 ( 5.650 0.134 -0.901) 5.723 1.899 ( 2.757 -5.698 -5.823) 8.601 2.061 ( 1.506 -7.347 2.081) 7.783 2.100 ( 3.672 -3.038 3.704) 6.036 2.282 ( 5.697 1.622 1.440) 6.095 2.441 ( 0.362 -3.568 1.402) 3.850 2.526 ( -2.063 -8.837 -0.509) 9.089 2.564 ( 0.309 -3.300 -3.022) 4.486 2.610 ( 0.156 -2.869 -3.271) 4.354 2.755 ( 0.581 -5.122 1.118) 5.274 2.899 ( -0.439 -7.423 -3.422) 8.185 3.069 ( 1.437 -6.762 0.693) 6.948 3.218 ( -0.092 -2.843 -4.275) 5.135 3.376 ( -4.042 0.380 -0.623) 4.107 3.489 ( 5.029 -5.622 0.795) 7.585 3.726 ( 4.710 2.745 0.833) 5.515 3.749 ( 1.174 0.633 2.095) 2.483 3.898 ( -6.451 -4.022 0.282) 7.607 4.109 ( 3.199 -3.888 -0.050) 5.036 4.295 ( -2.497 -0.061 -0.055) 2.498 4.430 ( 2.440 4.372 0.675) 5.052 6.643 ( -2.483 -13.269 -0.160) 13.501 6.767 ( -3.392 -24.233 1.554) 24.518 7.251 ( -9.733 -9.091 0.477) 13.328 7.481 ( -0.073 -3.372 -0.562) 3.420 7.993 ( -1.583 -7.529 0.783) 7.734 8.111 ( 0.671 -7.043 -0.725) 7.112 8.409 ( 2.517 -3.304 -0.702) 4.213 8.526 ( 2.036 -7.719 1.135) 8.063 8.848 ( 1.584 -0.081 0.047) 1.587 8.870 ( 3.003 -1.656 -0.879) 3.540 9.371 ( -2.359 0.458 -0.309) 2.423 9.686 ( 0.591 2.533 0.286) 2.617 ======================= Grid point 618 (280/324) ======================= q-point: ( 0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -4.015 1.382 3.970) 5.813 1.609 ( 3.144 -10.029 2.163) 10.731 1.701 ( 1.152 -6.524 4.277) 7.885 1.843 ( 5.371 3.870 1.167) 6.722 1.993 ( 3.639 -3.752 -4.708) 7.034 2.166 ( 2.105 -2.667 -0.857) 3.504 2.239 ( 4.438 -7.478 4.219) 9.665 2.257 ( 7.575 2.524 3.479) 8.710 2.462 ( -0.250 -0.661 0.214) 0.739 2.573 ( 0.723 -1.676 -0.046) 1.826 2.669 ( 0.525 -4.025 -2.934) 5.008 2.719 ( -1.479 -6.544 -0.944) 6.775 2.830 ( -1.348 -2.972 0.657) 3.329 3.012 ( -0.269 -3.577 -3.277) 4.858 3.192 ( -2.151 -6.350 -2.046) 7.010 3.256 ( -1.662 -2.702 -1.822) 3.658 3.368 ( -3.021 -1.296 -0.320) 3.303 3.538 ( 7.033 2.637 0.485) 7.526 3.712 ( -0.087 -1.325 -0.201) 1.343 3.774 ( 2.786 -1.393 0.191) 3.121 3.945 ( -3.090 -3.171 0.651) 4.475 4.168 ( 1.254 -0.387 0.710) 1.492 4.305 ( 0.375 -0.092 0.227) 0.448 4.384 ( 1.979 0.656 0.524) 2.150 6.853 ( -1.339 -10.502 -0.546) 10.601 7.137 ( -5.497 -17.512 0.971) 18.380 7.419 ( -4.212 -10.159 1.927) 11.165 7.529 ( -3.091 -4.144 -0.584) 5.203 8.155 ( 2.390 -8.970 1.037) 9.341 8.283 ( 0.857 -10.983 -0.426) 11.024 8.494 ( 2.904 -4.286 -0.432) 5.196 8.671 ( 1.104 -6.227 0.678) 6.361 8.856 ( 3.314 0.485 0.402) 3.373 8.921 ( -0.853 -3.187 -0.926) 3.427 9.360 ( -2.369 -0.701 -0.340) 2.493 9.640 ( 0.807 2.853 0.339) 2.984 ======================= Grid point 619 (281/324) ======================= q-point: ( 0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -4.710 -3.788 2.696) 6.619 1.698 ( 3.913 5.134 2.030) 6.767 1.778 ( 0.328 -2.412 3.853) 4.558 1.891 ( 3.892 -5.648 0.992) 6.931 2.059 ( 2.330 -2.611 -2.235) 4.152 2.200 ( 3.431 -0.774 -0.970) 3.648 2.300 ( 1.910 -4.363 3.826) 6.110 2.366 ( 4.141 -0.967 1.868) 4.645 2.514 ( 0.611 -4.404 -0.686) 4.499 2.621 ( 4.325 -2.521 1.088) 5.123 2.742 ( -0.023 -3.845 -1.694) 4.201 2.766 ( -2.946 -0.967 -0.746) 3.189 2.881 ( -1.177 -4.029 0.225) 4.203 2.997 ( 0.539 4.102 -3.189) 5.224 3.249 ( -3.995 -1.248 0.928) 4.287 3.282 ( -4.014 -1.645 -0.265) 4.346 3.402 ( 1.249 -2.042 -1.026) 2.604 3.517 ( 4.027 1.294 -0.437) 4.253 3.775 ( -0.503 -4.711 -1.790) 5.064 3.797 ( 1.708 0.044 -0.337) 1.742 3.988 ( -0.209 -2.250 -0.073) 2.261 4.159 ( 1.073 1.467 1.073) 2.111 4.277 ( 0.068 2.167 0.549) 2.236 4.419 ( 1.631 -1.715 0.236) 2.379 7.026 ( -0.346 -8.740 -0.543) 8.764 7.358 ( -7.206 -7.494 0.816) 10.428 7.494 ( -1.528 -3.953 1.010) 4.356 7.690 ( -0.887 -10.532 0.502) 10.581 8.344 ( 3.493 -9.525 0.611) 10.164 8.498 ( 2.256 -10.271 0.015) 10.515 8.586 ( 1.878 -4.010 -0.155) 4.430 8.758 ( -0.634 -2.676 0.100) 2.752 8.865 ( 3.264 0.361 0.437) 3.313 8.969 ( -2.493 -2.796 -0.432) 3.771 9.374 ( -2.258 -2.019 -0.290) 3.043 9.592 ( 1.269 2.896 0.333) 3.179 ======================= Grid point 620 (282/324) ======================= q-point: ( 0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -4.473 -7.867 0.936) 9.098 1.567 ( 5.923 10.089 1.105) 11.751 1.835 ( 0.151 -1.975 2.282) 3.022 1.964 ( -0.598 -1.526 0.490) 1.710 2.103 ( 1.430 -1.328 -0.789) 2.105 2.239 ( 2.341 -1.042 -0.095) 2.564 2.366 ( 2.055 1.104 0.587) 2.406 2.431 ( 1.346 -6.433 2.311) 6.966 2.568 ( -0.055 -1.748 -0.063) 1.750 2.651 ( -0.503 1.028 -0.533) 1.263 2.785 ( 2.046 -1.779 0.924) 2.865 2.827 ( -0.039 -1.830 -0.498) 1.897 2.906 ( 1.295 1.818 -1.658) 2.780 2.949 ( -0.517 -2.859 -0.922) 3.048 3.233 ( -5.274 0.430 2.688) 5.935 3.271 ( -2.828 -0.192 -1.014) 3.011 3.397 ( 4.776 3.623 -0.824) 6.051 3.558 ( -1.054 -4.209 -1.118) 4.480 3.783 ( 1.994 2.203 0.326) 2.989 3.847 ( -0.865 -3.047 -1.755) 3.621 4.034 ( 0.580 -2.694 -0.310) 2.773 4.135 ( 0.490 1.828 0.675) 2.009 4.244 ( -0.249 1.345 0.496) 1.455 4.444 ( 0.955 -0.354 0.130) 1.027 7.177 ( 1.214 -7.358 -0.461) 7.472 7.350 ( -4.866 2.175 0.501) 5.354 7.616 ( -1.631 -6.955 0.903) 7.201 7.835 ( 0.548 -4.638 0.093) 4.671 8.534 ( 3.602 -8.213 0.337) 8.974 8.646 ( -0.003 -1.571 0.045) 1.572 8.656 ( 1.872 -4.746 0.191) 5.105 8.768 ( -1.020 0.399 -0.207) 1.114 8.874 ( 2.124 0.443 0.207) 2.179 9.000 ( -2.595 -2.163 -0.146) 3.381 9.408 ( -2.215 -2.800 -0.195) 3.575 9.546 ( 1.756 2.852 0.260) 3.359 ======================= Grid point 621 (283/324) ======================= q-point: (-0.43 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -0.944 -6.394 -0.020) 6.464 1.418 ( 3.327 6.952 -0.000) 7.707 1.852 ( 0.066 0.562 0.526) 0.772 1.969 ( -1.999 0.051 -0.023) 2.000 2.116 ( 0.299 0.380 -0.316) 0.578 2.238 ( -0.257 1.919 0.370) 1.971 2.356 ( 0.905 0.541 0.413) 1.132 2.491 ( -1.500 2.272 -1.158) 2.958 2.583 ( -1.466 -0.153 -0.206) 1.488 2.649 ( 3.006 -0.799 1.367) 3.398 2.792 ( 1.808 0.471 -4.485) 4.858 2.823 ( 0.376 -0.792 2.889) 3.019 2.916 ( -0.575 1.612 0.623) 1.821 2.970 ( -2.220 -0.771 0.198) 2.358 3.213 ( -5.500 -0.566 1.313) 5.683 3.305 ( 4.118 -3.506 -0.631) 5.445 3.341 ( 0.986 3.098 -1.159) 3.451 3.625 ( 0.586 -2.433 0.611) 2.576 3.740 ( 0.153 2.509 0.317) 2.534 3.872 ( -1.124 -0.639 -0.877) 1.563 4.071 ( -0.169 0.257 0.205) 0.370 4.109 ( 0.637 0.285 0.177) 0.719 4.229 ( -0.394 0.023 -0.058) 0.399 4.445 ( 0.234 0.496 0.006) 0.548 7.254 ( -1.879 3.039 0.335) 3.589 7.329 ( 1.926 -4.954 -0.317) 5.325 7.696 ( 0.840 -1.312 -0.072) 1.560 7.868 ( -0.663 0.887 0.036) 1.108 8.608 ( -1.647 3.596 0.752) 4.026 8.644 ( -1.873 1.913 -1.043) 2.874 8.703 ( 2.444 -2.539 0.080) 3.525 8.775 ( 2.215 -0.627 0.516) 2.359 8.863 ( -0.379 1.227 -0.135) 1.291 9.026 ( -0.647 -1.410 -0.142) 1.558 9.451 ( -1.750 -2.694 -0.097) 3.214 9.503 ( 1.532 2.603 0.103) 3.022 ======================= Grid point 622 (284/324) ======================= q-point: (-0.36 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 7.422 8.116 -0.535) 11.011 1.453 ( -4.410 -9.361 -0.976) 10.394 1.818 ( 0.162 3.102 -1.309) 3.370 1.939 ( -2.491 2.267 -0.187) 3.373 2.090 ( -0.519 2.133 -0.293) 2.215 2.159 ( -5.028 5.251 0.377) 7.280 2.361 ( 1.441 0.901 -0.526) 1.779 2.377 ( -1.537 5.508 -1.464) 5.903 2.570 ( -4.355 0.992 -1.284) 4.647 2.628 ( 3.233 4.667 1.098) 5.783 2.795 ( -1.737 1.918 -0.628) 2.663 2.826 ( 3.658 -0.959 -1.157) 3.954 2.923 ( 0.470 -0.640 4.599) 4.667 2.974 ( 1.602 -1.567 0.800) 2.380 3.199 ( -5.816 -1.465 -2.022) 6.329 3.295 ( -2.651 0.584 -1.164) 2.954 3.401 ( 5.798 -2.548 0.314) 6.341 3.604 ( 1.711 5.638 1.871) 6.182 3.735 ( -2.288 -2.200 0.095) 3.175 3.859 ( -0.441 1.690 0.116) 1.750 4.038 ( 0.402 2.134 1.105) 2.437 4.115 ( -0.740 -0.326 -1.050) 1.325 4.243 ( 0.003 -1.554 -0.259) 1.575 4.428 ( -0.496 1.333 -0.110) 1.427 7.160 ( -0.745 5.643 0.331) 5.701 7.434 ( 3.327 -3.904 -0.303) 5.138 7.664 ( 3.984 6.024 -1.016) 7.294 7.808 ( -2.285 4.291 0.112) 4.863 8.473 ( -2.218 8.838 0.121) 9.113 8.558 ( -4.074 4.941 -0.372) 6.415 8.703 ( 2.960 4.223 -0.148) 5.159 8.804 ( 1.246 0.142 0.599) 1.390 8.825 ( -2.016 1.428 -0.357) 2.496 9.038 ( 0.999 0.458 -0.130) 1.107 9.448 ( 1.493 2.629 0.279) 3.036 9.509 ( -1.535 -3.101 -0.318) 3.475 ======================= Grid point 623 (285/324) ======================= q-point: (-0.29 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 6.594 5.763 -1.603) 8.903 1.600 ( -4.038 -6.156 -0.594) 7.386 1.745 ( -0.114 2.868 -2.728) 3.960 1.837 ( 0.633 8.431 -1.913) 8.668 2.014 ( -9.541 4.098 3.421) 10.933 2.046 ( -3.772 2.514 -1.445) 4.758 2.243 ( -1.051 5.531 -2.240) 6.059 2.367 ( 2.335 2.656 -0.178) 3.541 2.485 ( -2.199 2.941 -0.238) 3.680 2.593 ( 3.063 1.458 -0.048) 3.393 2.740 ( -2.019 3.043 1.075) 3.807 2.822 ( 0.086 3.082 0.128) 3.086 2.919 ( 4.155 1.870 1.845) 4.916 3.038 ( 1.711 -1.580 1.885) 2.996 3.219 ( -6.563 -4.131 -1.808) 7.962 3.287 ( -1.289 -1.003 -1.149) 1.997 3.429 ( 4.041 3.142 0.743) 5.172 3.495 ( -0.197 4.736 1.196) 4.888 3.747 ( -2.230 0.526 -0.019) 2.291 3.801 ( 0.359 4.427 0.947) 4.542 4.015 ( 1.403 1.029 0.522) 1.816 4.125 ( -1.032 -1.764 -1.144) 2.342 4.276 ( 0.111 -1.870 -0.174) 1.881 4.387 ( -1.144 2.639 -0.174) 2.881 7.038 ( 0.422 7.571 0.246) 7.587 7.474 ( 3.932 6.357 -0.289) 7.480 7.520 ( 1.728 6.187 -0.798) 6.474 7.704 ( 0.765 6.143 -0.318) 6.199 8.283 ( -2.047 9.734 -0.199) 9.949 8.424 ( -3.378 7.447 0.042) 8.177 8.604 ( 2.319 7.117 -0.079) 7.486 8.749 ( -2.554 3.524 0.190) 4.357 8.804 ( -0.971 1.914 -0.433) 2.190 9.017 ( 1.612 2.346 0.182) 2.853 9.411 ( 1.204 1.815 0.228) 2.190 9.565 ( -0.994 -3.404 -0.259) 3.556 ======================= Grid point 624 (286/324) ======================= q-point: (-0.21 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 4.725 0.711 -1.822) 5.114 1.535 ( -2.212 8.379 -1.116) 8.738 1.610 ( -4.069 10.562 -1.371) 11.401 1.808 ( 3.549 -2.481 -3.095) 5.322 1.924 ( -9.877 0.527 5.504) 11.319 1.981 ( -3.165 2.316 -2.107) 4.452 2.149 ( -1.321 3.792 -1.143) 4.175 2.296 ( 2.213 4.046 -0.880) 4.695 2.468 ( 0.357 0.115 -0.007) 0.376 2.584 ( 3.928 1.782 -0.980) 4.423 2.667 ( -3.476 3.384 2.229) 5.339 2.750 ( 0.657 4.226 0.042) 4.277 2.851 ( 0.977 7.304 1.257) 7.475 3.046 ( 0.932 2.188 1.728) 2.940 3.163 ( -3.722 8.178 -1.858) 9.175 3.309 ( 1.362 1.043 1.744) 2.447 3.403 ( -0.021 -2.339 0.708) 2.444 3.459 ( -0.126 0.576 -0.126) 0.603 3.687 ( -2.094 3.830 -0.473) 4.391 3.728 ( -0.360 2.481 -0.220) 2.517 4.016 ( 2.764 0.059 -0.143) 2.768 4.138 ( -0.968 1.539 -0.196) 1.829 4.308 ( 0.529 -1.042 -0.101) 1.173 4.339 ( -1.721 -0.016 -0.274) 1.743 6.880 ( 0.774 9.798 0.164) 9.830 7.204 ( 1.762 19.051 -0.431) 19.138 7.479 ( 2.253 3.611 -1.016) 4.375 7.590 ( 1.935 7.140 0.496) 7.414 8.112 ( -1.064 7.131 -0.425) 7.222 8.255 ( -1.495 8.877 0.343) 9.008 8.486 ( 1.220 6.032 -0.008) 6.154 8.649 ( -0.930 6.628 -0.003) 6.693 8.753 ( -3.777 1.389 -0.509) 4.056 8.971 ( 1.575 3.366 0.472) 3.746 9.396 ( 0.920 0.422 0.149) 1.023 9.622 ( -0.534 -3.167 -0.169) 3.216 ======================= Grid point 625 (287/324) ======================= q-point: (-0.14 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 2.119 -1.578 -0.473) 2.684 1.325 ( -1.378 11.487 0.323) 11.574 1.436 ( -3.046 5.808 -2.071) 6.877 1.791 ( -1.641 2.449 0.928) 3.090 1.897 ( 0.150 3.714 1.134) 3.886 1.944 ( -2.577 -0.618 -1.790) 3.198 2.071 ( -0.664 4.280 0.057) 4.332 2.262 ( 0.569 1.570 -0.448) 1.729 2.443 ( 0.035 3.263 -0.174) 3.268 2.524 ( 1.134 5.841 -0.213) 5.953 2.605 ( -0.057 3.562 0.530) 3.602 2.677 ( 2.807 4.469 4.280) 6.795 2.717 ( -2.193 4.742 -2.334) 5.722 2.924 ( 0.191 10.926 1.462) 11.025 2.988 ( -2.313 6.473 -2.179) 7.211 3.246 ( -0.111 5.224 1.543) 5.449 3.424 ( -0.465 4.123 0.041) 4.149 3.439 ( 0.673 1.351 0.179) 1.520 3.644 ( -1.396 -2.936 -0.568) 3.300 3.730 ( -0.133 -1.158 -0.548) 1.288 4.006 ( 3.919 6.222 -0.680) 7.384 4.050 ( -2.918 1.840 0.736) 3.527 4.343 ( 2.128 -2.315 0.111) 3.147 4.375 ( -2.241 -3.852 -0.329) 4.469 6.679 ( 0.703 12.210 0.034) 12.230 6.801 ( 0.773 24.761 -0.430) 24.777 7.409 ( 6.133 5.843 -1.015) 8.531 7.454 ( -3.716 5.783 1.038) 6.952 8.018 ( 0.807 3.020 -0.254) 3.136 8.097 ( -0.733 7.441 0.412) 7.488 8.397 ( 0.428 3.938 0.059) 3.962 8.501 ( -0.229 8.141 -0.247) 8.148 8.724 ( -3.128 -0.204 -0.201) 3.141 8.914 ( 0.903 3.393 0.351) 3.529 9.403 ( 0.547 -0.639 0.071) 0.844 9.675 ( -0.226 -2.679 -0.073) 2.689 ======================= Grid point 626 (288/324) ======================= q-point: (-0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.000 1.301 0.000) 1.301 1.144 ( 0.000 6.835 -0.000) 6.835 1.359 ( 0.000 0.862 0.000) 0.862 1.746 ( -0.000 4.991 0.000) 4.991 1.753 ( -0.000 11.134 0.000) 11.134 1.930 ( 0.000 0.863 -0.000) 0.863 2.009 ( 0.000 0.329 0.000) 0.329 2.112 ( -0.000 14.645 0.000) 14.645 2.341 ( 0.000 11.065 0.000) 11.065 2.403 ( -0.000 6.786 0.000) 6.786 2.572 ( -0.000 -2.315 0.000) 2.315 2.603 ( -0.000 2.700 0.000) 2.700 2.668 ( -0.000 0.809 0.000) 0.809 2.808 ( -0.000 1.392 0.000) 1.392 2.879 ( 0.000 2.578 0.000) 2.578 3.158 ( 0.000 3.724 0.000) 3.724 3.256 ( -0.000 11.742 0.000) 11.742 3.435 ( -0.000 -0.451 0.000) 0.451 3.631 ( 0.000 12.038 0.000) 12.038 3.747 ( 0.000 -6.493 0.000) 6.493 3.954 ( -0.000 -2.258 0.000) 2.258 4.030 ( 0.000 1.552 0.000) 1.552 4.398 ( -0.000 -2.673 0.000) 2.673 4.448 ( 0.000 -4.432 0.000) 4.432 6.279 ( -0.000 31.684 0.000) 31.684 6.436 ( -0.000 13.601 0.000) 13.601 7.321 ( -0.000 2.594 0.000) 2.594 7.403 ( 0.000 -0.039 0.000) 0.039 7.959 ( 0.000 7.616 -0.000) 7.616 7.975 ( -0.000 3.363 0.000) 3.363 8.341 ( 0.000 2.247 0.000) 2.247 8.384 ( -0.000 3.059 0.000) 3.059 8.727 ( -0.000 -0.892 0.000) 0.892 8.860 ( 0.000 2.502 0.000) 2.502 9.422 ( -0.000 -1.094 0.000) 1.094 9.718 ( -0.000 -2.046 0.000) 2.046 ======================= Grid point 630 (289/324) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -3.384 -0.000 -4.237) 5.423 1.055 ( -1.808 -0.000 -9.602) 9.771 1.270 ( 15.901 0.000 2.127) 16.042 1.543 ( -9.666 -0.000 -10.217) 14.065 1.641 ( 6.291 0.000 11.081) 12.742 1.669 ( -2.471 -0.000 -3.055) 3.929 1.948 ( 1.316 0.000 -2.480) 2.808 1.971 ( 11.144 0.000 -6.030) 12.671 2.178 ( 1.985 0.000 3.582) 4.095 2.194 ( 0.766 0.000 -4.756) 4.817 2.534 ( -2.465 -0.000 1.533) 2.902 2.648 ( -1.731 -0.000 -0.077) 1.733 2.759 ( -1.596 -0.000 -4.273) 4.562 2.806 ( 2.394 0.000 1.867) 3.036 2.946 ( 4.044 0.000 5.770) 7.046 3.061 ( 0.262 0.000 3.269) 3.280 3.140 ( -0.412 -0.000 0.189) 0.453 3.157 ( 3.690 0.000 -1.258) 3.898 3.612 ( 2.328 0.000 2.245) 3.234 3.899 ( 1.374 0.000 0.258) 1.398 3.937 ( -1.420 -0.000 -0.184) 1.431 4.053 ( -0.886 -0.000 0.266) 0.926 4.377 ( -6.749 -0.000 -0.702) 6.786 4.636 ( 2.141 0.000 0.019) 2.141 5.268 ( 3.455 0.000 -0.077) 3.456 6.062 ( -4.901 -0.000 -0.306) 4.910 7.293 ( -15.491 -0.000 -3.594) 15.903 7.515 ( -0.855 -0.000 0.121) 0.864 7.535 ( -3.318 -0.000 -2.260) 4.014 7.840 ( 2.648 0.000 -0.123) 2.651 8.313 ( 0.564 0.000 1.472) 1.576 8.407 ( -2.276 -0.000 -0.497) 2.330 8.795 ( -1.045 -0.000 -0.119) 1.052 8.906 ( 10.904 0.000 0.890) 10.940 9.424 ( -2.114 -0.000 -0.422) 2.156 9.765 ( 0.370 0.000 0.121) 0.389 ======================= Grid point 631 (290/324) ======================= q-point: ( 0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -2.175 -5.142 -7.314) 9.201 1.287 ( 2.142 -16.268 -2.251) 16.562 1.346 ( 9.706 -3.991 -4.980) 11.616 1.481 ( -3.371 -2.596 3.248) 5.353 1.713 ( -1.719 -5.509 -5.392) 7.898 1.822 ( 3.371 -11.699 4.033) 12.825 1.939 ( -1.832 -0.144 2.838) 3.381 2.083 ( 9.958 -5.011 -7.631) 13.509 2.136 ( 5.392 -0.509 -1.965) 5.761 2.289 ( 1.208 -5.860 -1.457) 6.158 2.538 ( -1.260 -1.207 0.312) 1.772 2.610 ( -0.668 1.855 0.635) 2.072 2.725 ( 2.950 3.472 -0.488) 4.583 2.878 ( -2.316 -3.580 1.266) 4.448 2.918 ( 2.627 4.199 3.318) 5.961 3.070 ( 2.463 -4.292 1.583) 5.196 3.165 ( 3.487 -3.295 -3.054) 5.687 3.341 ( -0.757 -12.934 2.760) 13.246 3.549 ( 0.781 5.351 0.159) 5.410 3.863 ( 1.085 3.337 0.653) 3.569 3.966 ( 0.621 -1.195 -0.522) 1.444 4.020 ( -0.135 1.733 -0.017) 1.739 4.328 ( -6.831 1.228 -0.641) 6.970 4.593 ( 2.642 3.981 0.413) 4.796 5.649 ( -0.425 -31.235 2.734) 31.357 6.136 ( -5.263 -10.316 -0.339) 11.586 7.152 ( -13.464 3.367 -3.718) 14.368 7.427 ( -0.786 2.052 -0.266) 2.214 7.685 ( -4.703 -9.808 -1.295) 10.954 7.908 ( 1.798 -4.993 -0.474) 5.328 8.329 ( -1.149 -1.502 1.493) 2.409 8.380 ( 2.104 1.131 -0.919) 2.559 8.790 ( -1.545 -0.316 -0.731) 1.738 8.940 ( 9.950 2.085 1.074) 10.223 9.404 ( -2.273 0.851 -0.376) 2.456 9.757 ( 0.421 1.096 0.203) 1.192 ======================= Grid point 632 (291/324) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.343 -5.983 -2.989) 6.697 1.326 ( 5.965 1.522 -2.935) 6.819 1.514 ( 1.112 -4.640 7.277) 8.702 1.718 ( -0.368 -14.866 -5.281) 15.781 1.830 ( 4.198 -7.403 -3.370) 9.154 1.953 ( -0.593 -2.705 1.569) 3.183 2.048 ( 2.373 -6.591 7.143) 10.004 2.209 ( 2.767 -11.627 -1.868) 12.097 2.280 ( 6.518 -7.490 -5.235) 11.224 2.404 ( 3.561 -4.368 -0.499) 5.658 2.555 ( -1.983 -1.395 -3.883) 4.578 2.620 ( 2.153 -1.880 2.033) 3.507 2.664 ( 3.982 2.625 -0.051) 4.770 2.843 ( -0.581 1.027 -0.215) 1.200 2.976 ( 1.012 -4.038 2.387) 4.798 3.139 ( -1.407 -4.012 -3.827) 5.720 3.335 ( 3.681 -9.364 0.719) 10.088 3.421 ( 0.446 2.885 -1.360) 3.221 3.624 ( -3.013 -12.275 3.021) 12.995 3.808 ( 2.179 3.220 0.790) 3.967 3.910 ( 0.206 5.380 -0.514) 5.408 4.058 ( 2.751 -3.322 0.028) 4.313 4.277 ( -5.564 0.370 -0.385) 5.590 4.529 ( 2.518 4.473 0.664) 5.176 6.238 ( -3.452 -30.154 3.570) 30.560 6.361 ( -4.106 -15.423 -0.552) 15.970 7.078 ( -11.777 -3.149 -2.117) 12.373 7.426 ( -0.130 -2.023 -0.201) 2.037 7.829 ( -4.318 -8.519 -0.381) 9.559 8.007 ( 0.579 -4.959 -0.480) 5.016 8.362 ( -0.243 -2.773 0.227) 2.792 8.428 ( 5.205 -4.101 0.077) 6.627 8.795 ( -2.317 -1.523 -1.352) 3.085 8.941 ( 8.208 2.564 0.773) 8.634 9.373 ( -2.420 1.049 -0.345) 2.660 9.731 ( 0.380 1.915 0.275) 1.971 ======================= Grid point 633 (292/324) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -1.452 2.924 3.410) 4.720 1.422 ( 4.758 -9.831 -2.519) 11.209 1.618 ( 0.332 -4.730 6.669) 8.183 1.887 ( 0.504 -5.065 -3.470) 6.160 1.929 ( 8.014 -1.549 -3.166) 8.755 2.057 ( -0.945 -6.974 1.495) 7.195 2.178 ( 5.704 -4.670 7.726) 10.679 2.369 ( 8.359 -0.304 -0.419) 8.375 2.448 ( -1.130 -1.843 -0.031) 2.162 2.502 ( 2.212 -10.067 0.249) 10.310 2.553 ( -0.775 -2.160 -4.064) 4.667 2.627 ( 4.058 -1.422 0.273) 4.308 2.760 ( -0.220 -5.279 0.436) 5.302 2.878 ( -0.953 -6.174 -3.195) 7.017 3.064 ( -1.213 -5.651 -3.421) 6.716 3.203 ( -0.335 -3.297 -2.401) 4.093 3.330 ( -4.561 1.103 -0.776) 4.756 3.547 ( 5.419 -5.949 1.367) 8.162 3.748 ( -0.216 1.231 0.877) 1.527 3.779 ( 0.342 1.600 0.109) 1.640 3.854 ( -0.289 -3.467 1.432) 3.762 4.140 ( 2.764 -3.197 0.311) 4.238 4.272 ( -1.868 -2.175 -0.063) 2.868 4.455 ( 2.055 4.589 0.634) 5.068 6.618 ( -2.326 -14.081 -0.287) 14.275 6.735 ( -4.227 -23.401 1.612) 23.834 7.156 ( -9.622 -11.397 0.310) 14.918 7.473 ( -1.130 -2.439 -0.308) 2.706 7.983 ( -1.132 -10.032 0.860) 10.132 8.114 ( 0.546 -6.917 -0.447) 6.953 8.434 ( 2.726 -4.043 -0.511) 4.903 8.558 ( 3.530 -6.650 0.669) 7.558 8.819 ( -2.906 -2.630 -1.184) 4.095 8.936 ( 6.407 1.773 0.311) 6.655 9.345 ( -2.518 0.450 -0.358) 2.583 9.692 ( 0.353 2.417 0.316) 2.463 ======================= Grid point 634 (293/324) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -2.379 2.356 3.918) 5.153 1.640 ( 1.249 -9.480 1.696) 9.711 1.723 ( 0.252 -5.379 3.923) 6.662 1.911 ( 7.060 2.036 0.959) 7.410 2.010 ( 3.875 -3.569 -4.444) 6.892 2.163 ( -0.162 -4.344 0.348) 4.361 2.283 ( 2.232 -0.859 6.552) 6.975 2.393 ( 12.124 0.025 1.438) 12.209 2.457 ( -1.308 -1.135 0.382) 1.773 2.570 ( 0.470 -3.688 -2.500) 4.480 2.677 ( 2.552 -4.336 -2.189) 5.487 2.708 ( 0.104 -4.198 0.337) 4.213 2.814 ( -2.581 -2.168 0.876) 3.483 2.998 ( -0.236 -5.174 -2.333) 5.680 3.152 ( -3.015 -4.869 -3.737) 6.839 3.232 ( -1.794 -1.639 -1.879) 3.071 3.334 ( -3.593 -3.346 0.051) 4.910 3.608 ( 6.237 2.709 0.392) 6.812 3.708 ( -0.361 -0.537 -0.389) 0.755 3.782 ( -1.452 -1.641 -0.426) 2.232 3.940 ( 1.917 -3.425 1.106) 4.078 4.178 ( 0.068 -0.269 0.648) 0.705 4.316 ( 1.709 -0.176 0.334) 1.751 4.403 ( 1.363 0.655 0.491) 1.590 6.839 ( -0.902 -10.842 -0.772) 10.906 7.080 ( -6.611 -16.666 1.126) 17.965 7.388 ( -3.318 -13.915 1.803) 14.419 7.497 ( -2.849 -2.900 -0.405) 4.085 8.184 ( 2.582 -10.066 1.168) 10.457 8.285 ( -0.008 -11.481 -0.329) 11.486 8.529 ( 4.093 -4.175 -0.486) 5.866 8.686 ( 1.295 -5.081 0.457) 5.263 8.855 ( -1.990 -2.629 -0.210) 3.303 8.940 ( 3.608 0.556 -0.232) 3.658 9.334 ( -2.477 -0.798 -0.349) 2.626 9.648 ( 0.555 2.599 0.324) 2.678 ======================= Grid point 635 (294/324) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -2.713 -2.768 2.500) 4.612 1.732 ( 0.949 1.712 1.816) 2.670 1.797 ( 0.785 -1.998 3.302) 3.939 1.936 ( 4.579 -0.949 0.626) 4.718 2.080 ( 3.972 -2.472 -2.045) 5.106 2.218 ( 1.427 -1.966 -0.381) 2.459 2.333 ( 1.662 -4.203 3.245) 5.564 2.412 ( 2.031 1.790 2.082) 3.415 2.520 ( 1.013 -3.523 -0.125) 3.668 2.650 ( 1.315 -1.932 -1.405) 2.727 2.744 ( -1.476 -3.652 -0.551) 3.977 2.759 ( 4.965 -3.043 0.183) 5.827 2.867 ( -1.555 -4.058 0.818) 4.422 2.998 ( 1.715 4.210 -2.558) 5.216 3.192 ( -6.759 -2.376 -0.656) 7.194 3.244 ( -3.807 -0.914 -0.501) 3.947 3.407 ( 0.563 -4.801 -0.311) 4.843 3.557 ( 3.680 4.304 -0.242) 5.668 3.762 ( -0.334 -4.396 -2.112) 4.888 3.805 ( -0.081 -0.991 -0.166) 1.008 3.997 ( 2.026 -1.727 0.310) 2.680 4.168 ( -0.024 1.210 0.500) 1.309 4.283 ( 0.610 2.766 0.766) 2.934 4.435 ( 1.405 -1.506 0.192) 2.068 7.021 ( -0.035 -9.357 -0.619) 9.377 7.292 ( -6.633 -7.737 0.897) 10.231 7.484 ( -1.105 -4.083 0.871) 4.319 7.683 ( -0.811 -11.880 0.429) 11.915 8.382 ( 3.497 -9.601 0.711) 10.243 8.506 ( -0.277 -10.816 0.155) 10.821 8.619 ( 4.389 -3.168 -0.388) 5.427 8.751 ( -0.814 -1.778 0.050) 1.957 8.890 ( 1.098 -1.020 0.596) 1.612 8.949 ( -0.813 -0.910 -0.552) 1.340 9.349 ( -2.348 -2.129 -0.254) 3.179 9.604 ( 1.025 2.549 0.280) 2.762 ======================= Grid point 636 (295/324) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -2.473 -7.511 0.868) 7.955 1.626 ( 4.820 9.656 0.644) 10.811 1.846 ( 0.309 -1.572 2.520) 2.986 1.954 ( -1.297 -0.339 -0.228) 1.359 2.118 ( 2.183 -0.369 -0.602) 2.295 2.256 ( 1.273 -0.626 0.184) 1.430 2.388 ( 1.182 1.709 1.038) 2.323 2.447 ( 0.762 -5.259 0.904) 5.390 2.569 ( -0.803 -1.058 0.044) 1.329 2.648 ( 1.402 -0.621 0.595) 1.645 2.805 ( -1.112 -1.863 0.541) 2.236 2.829 ( 3.548 0.769 -3.126) 4.791 2.918 ( 0.160 -1.239 2.597) 2.882 2.938 ( -0.031 0.108 -2.482) 2.484 3.185 ( -5.399 -0.558 2.547) 5.996 3.243 ( -2.344 -2.359 -1.592) 3.687 3.437 ( 3.905 4.512 -1.058) 6.060 3.549 ( -0.476 -4.176 0.035) 4.204 3.799 ( 0.876 1.600 0.592) 1.918 3.830 ( -0.813 -2.626 -2.231) 3.540 4.041 ( 0.835 -2.247 0.028) 2.398 4.141 ( 0.332 1.746 0.339) 1.809 4.243 ( -0.347 1.667 0.484) 1.770 4.454 ( 0.895 -0.004 0.107) 0.901 7.188 ( 1.237 -8.114 -0.420) 8.218 7.306 ( -4.165 1.085 0.477) 4.331 7.608 ( -0.725 -7.275 0.666) 7.341 7.838 ( 0.073 -4.631 0.091) 4.632 8.571 ( 3.460 -7.956 0.474) 8.688 8.629 ( -1.767 -2.329 0.245) 2.933 8.684 ( 1.909 -1.018 -0.373) 2.195 8.766 ( 0.705 -1.300 0.099) 1.482 8.893 ( 1.569 1.517 0.149) 2.188 8.974 ( -2.469 -2.787 -0.215) 3.729 9.386 ( -2.102 -2.901 -0.148) 3.585 9.563 ( 1.387 2.649 0.194) 2.997 ======================= Grid point 637 (296/324) ======================= q-point: (-0.36 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.740 -9.419 -0.007) 9.448 1.456 ( 3.729 10.223 -0.035) 10.882 1.858 ( 0.836 0.949 0.557) 1.382 1.943 ( -3.065 0.362 0.055) 3.087 2.117 ( 0.184 1.051 -0.159) 1.078 2.239 ( 0.142 3.239 0.384) 3.264 2.367 ( 0.926 0.952 0.596) 1.455 2.472 ( -1.223 3.204 -1.234) 3.645 2.556 ( -2.852 0.130 -0.636) 2.925 2.699 ( 4.953 -0.073 1.207) 5.099 2.800 ( 1.478 -1.597 -0.639) 2.268 2.821 ( -0.636 1.975 -1.566) 2.600 2.926 ( 0.999 -0.694 0.679) 1.393 2.945 ( -2.130 -1.189 1.221) 2.728 3.157 ( -6.307 0.557 0.646) 6.365 3.337 ( 1.636 -3.111 -0.092) 3.516 3.351 ( 2.678 1.985 -1.332) 3.590 3.635 ( 0.694 -3.962 0.781) 4.098 3.745 ( 0.369 4.374 0.522) 4.421 3.854 ( -1.600 -1.108 -1.223) 2.299 4.070 ( -0.141 0.104 0.223) 0.284 4.117 ( 0.755 0.894 0.232) 1.193 4.224 ( -0.533 -0.067 -0.083) 0.544 4.448 ( 0.282 0.894 0.007) 0.937 7.237 ( -1.572 3.174 0.287) 3.554 7.346 ( 1.615 -6.591 -0.264) 6.791 7.706 ( 1.192 -2.670 -0.101) 2.926 7.860 ( -0.956 1.869 0.055) 2.100 8.596 ( -1.394 4.376 1.157) 4.736 8.620 ( -1.793 3.725 -1.366) 4.354 8.733 ( 3.133 -3.703 0.142) 4.852 8.798 ( 1.572 -0.367 0.514) 1.695 8.858 ( -0.588 2.393 -0.225) 2.474 9.018 ( -0.770 -2.462 -0.184) 2.586 9.434 ( -1.466 -3.218 -0.076) 3.537 9.517 ( 1.174 2.989 0.082) 3.212 ======================= Grid point 638 (297/324) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 6.266 8.493 -0.293) 10.558 1.410 ( -3.599 -9.526 -0.463) 10.194 1.819 ( 1.003 3.828 -1.066) 4.098 1.912 ( -2.851 1.315 0.465) 3.173 2.084 ( -0.454 2.272 -0.250) 2.330 2.118 ( -3.127 8.975 0.073) 9.504 2.357 ( -0.550 6.886 -1.537) 7.077 2.377 ( 0.871 -1.115 0.470) 1.491 2.525 ( -3.060 2.057 -0.919) 3.800 2.671 ( 3.938 4.237 0.823) 5.843 2.771 ( -2.314 1.488 -0.466) 2.790 2.851 ( 1.624 -0.439 -0.331) 1.714 2.961 ( 4.324 -0.252 2.531) 5.017 2.993 ( 1.185 -4.542 1.397) 4.898 3.120 ( -8.038 -1.061 -1.776) 8.300 3.272 ( -1.162 1.896 -1.229) 2.541 3.452 ( 3.862 -2.846 0.160) 4.800 3.623 ( 0.720 6.806 1.058) 6.925 3.717 ( -1.253 -2.365 0.239) 2.687 3.853 ( -0.597 0.708 -0.219) 0.952 4.048 ( 0.559 1.746 0.961) 2.070 4.104 ( -0.649 0.443 -0.850) 1.158 4.242 ( -0.022 -1.742 -0.124) 1.747 4.424 ( -0.230 1.724 -0.064) 1.741 7.156 ( -0.383 5.053 0.180) 5.071 7.458 ( 1.670 -4.113 -0.156) 4.441 7.703 ( 4.509 5.559 -0.852) 7.208 7.781 ( -3.326 3.940 0.332) 5.166 8.457 ( -1.090 9.166 0.185) 9.232 8.524 ( -2.352 5.211 -0.317) 5.726 8.732 ( 2.813 4.557 -0.007) 5.355 8.794 ( -2.484 3.056 -0.061) 3.939 8.826 ( 1.048 -0.323 0.180) 1.111 9.043 ( 0.315 -0.211 -0.131) 0.401 9.461 ( 0.994 2.616 0.270) 2.812 9.495 ( -1.055 -3.193 -0.286) 3.375 ======================= Grid point 639 (298/324) ======================= q-point: (-0.21 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 3.078 6.187 -0.578) 6.934 1.568 ( -1.878 -5.629 -0.071) 5.935 1.736 ( -0.073 3.841 -0.974) 3.963 1.856 ( 5.226 6.806 -2.676) 8.989 1.920 ( -9.641 5.707 2.754) 11.537 2.030 ( -0.443 3.152 -0.235) 3.192 2.231 ( -0.346 5.807 -0.732) 5.864 2.381 ( 0.629 2.763 -0.144) 2.837 2.470 ( -0.646 0.938 -0.048) 1.140 2.628 ( 3.057 2.012 -0.179) 3.664 2.719 ( -2.357 3.163 0.668) 4.001 2.820 ( -0.228 3.238 -0.068) 3.247 2.970 ( 3.382 3.714 1.515) 5.246 3.059 ( 1.542 -1.064 0.236) 1.888 3.145 ( -5.631 -5.346 -0.850) 7.811 3.278 ( -0.190 -2.982 -0.614) 3.050 3.467 ( 2.953 5.629 0.161) 6.358 3.492 ( -1.222 3.475 0.564) 3.726 3.730 ( -0.911 0.913 -0.012) 1.290 3.805 ( 0.125 4.285 0.306) 4.298 4.027 ( 0.583 0.730 0.262) 0.970 4.114 ( -0.401 -2.051 -0.479) 2.144 4.277 ( 0.036 -1.864 -0.055) 1.865 4.379 ( -0.424 3.000 -0.065) 3.031 7.042 ( 0.164 7.275 0.082) 7.277 7.497 ( 1.122 4.139 -0.079) 4.289 7.532 ( 0.899 9.404 -0.311) 9.452 7.708 ( 0.330 4.250 -0.111) 4.264 8.269 ( -0.730 9.905 -0.052) 9.932 8.400 ( -1.250 7.146 0.004) 7.255 8.625 ( 1.529 7.542 -0.030) 7.695 8.723 ( -1.956 2.995 0.051) 3.578 8.800 ( 0.026 3.393 -0.133) 3.395 9.028 ( 0.551 1.939 0.059) 2.017 9.420 ( 0.430 1.822 0.090) 1.874 9.557 ( -0.383 -3.535 -0.101) 3.557 ======================= Grid point 640 (299/324) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.000 0.995 0.000) 0.995 1.520 ( 0.000 7.535 0.000) 7.535 1.585 ( 0.000 11.790 0.000) 11.790 1.841 ( -0.000 2.798 0.000) 2.798 1.860 ( 0.000 -5.762 -0.000) 5.762 1.966 ( 0.000 3.449 0.000) 3.449 2.140 ( 0.000 3.825 0.000) 3.825 2.305 ( 0.000 3.929 -0.000) 3.929 2.470 ( 0.000 0.182 0.000) 0.182 2.623 ( -0.000 -0.065 0.000) 0.065 2.634 ( 0.000 5.081 0.000) 5.081 2.753 ( -0.000 3.534 0.000) 3.534 2.861 ( 0.000 8.348 0.000) 8.348 3.056 ( 0.000 1.980 0.000) 1.980 3.135 ( -0.000 7.795 0.000) 7.795 3.320 ( 0.000 0.720 0.000) 0.720 3.404 ( -0.000 -2.232 0.000) 2.232 3.460 ( -0.000 1.078 0.000) 1.078 3.675 ( 0.000 4.193 0.000) 4.193 3.726 ( -0.000 2.716 0.000) 2.716 4.031 ( -0.000 -0.680 0.000) 0.680 4.132 ( 0.000 1.999 -0.000) 1.999 4.312 ( -0.000 -1.914 0.000) 1.914 4.329 ( 0.000 0.782 0.000) 0.782 6.884 ( -0.000 9.682 0.000) 9.682 7.212 ( 0.000 19.232 0.000) 19.232 7.488 ( -0.000 2.676 0.000) 2.676 7.601 ( 0.000 7.668 0.000) 7.668 8.106 ( -0.000 6.811 0.000) 6.811 8.248 ( 0.000 8.557 0.000) 8.557 8.494 ( -0.000 6.327 0.000) 6.327 8.643 ( -0.000 6.136 0.000) 6.136 8.732 ( 0.000 2.330 0.000) 2.330 8.980 ( 0.000 3.245 0.000) 3.245 9.401 ( -0.000 0.384 0.000) 0.384 9.619 ( -0.000 -3.208 0.000) 3.208 ======================= Grid point 646 (300/324) ======================= q-point: ( 0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -2.505 -0.000 -5.505) 6.048 1.002 ( -1.699 -0.000 -8.170) 8.344 1.384 ( -0.536 -0.000 -21.753) 21.760 1.450 ( 6.458 0.000 9.542) 11.521 1.608 ( -4.415 -0.000 -4.865) 6.570 1.769 ( 7.905 0.000 12.423) 14.725 1.913 ( -6.082 -0.000 -0.120) 6.083 2.093 ( 16.958 0.000 -8.546) 18.989 2.188 ( 3.492 0.000 -5.855) 6.818 2.215 ( 2.242 0.000 4.005) 4.589 2.532 ( 0.319 0.000 0.771) 0.835 2.642 ( -0.188 -0.000 3.471) 3.476 2.719 ( -2.284 -0.000 -5.782) 6.217 2.837 ( 1.987 0.000 2.619) 3.288 3.015 ( 5.477 0.000 4.450) 7.057 3.074 ( 0.675 0.000 0.697) 0.971 3.135 ( -0.680 -0.000 0.028) 0.681 3.184 ( 2.048 0.000 0.596) 2.133 3.626 ( -1.739 -0.000 2.134) 2.753 3.921 ( -1.647 -0.000 -0.176) 1.656 3.928 ( 3.247 0.000 0.698) 3.321 4.046 ( 0.032 0.000 -0.394) 0.396 4.305 ( -6.981 -0.000 -0.483) 6.998 4.655 ( 1.648 0.000 -0.050) 1.649 5.309 ( 4.753 0.000 -0.174) 4.756 6.003 ( -6.561 -0.000 -0.299) 6.568 7.110 ( -17.008 -0.000 -5.254) 17.801 7.495 ( -3.160 -0.000 -1.886) 3.680 7.507 ( -0.779 -0.000 0.138) 0.792 7.868 ( 2.959 0.000 -0.159) 2.964 8.311 ( -2.232 -0.000 1.534) 2.708 8.397 ( 1.261 0.000 -1.457) 1.927 8.785 ( -0.490 -0.000 -0.266) 0.558 9.012 ( 8.616 0.000 1.569) 8.757 9.402 ( -1.819 -0.000 -0.331) 1.849 9.770 ( 0.380 0.000 0.239) 0.449 ======================= Grid point 647 (301/324) ======================= q-point: ( 0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.469 -6.561 -5.543) 8.602 1.269 ( -0.802 -24.061 -4.280) 24.452 1.360 ( -1.042 -1.967 -15.168) 15.331 1.504 ( 4.143 -0.674 6.637) 7.853 1.671 ( -2.163 -8.429 -3.485) 9.374 1.866 ( -1.050 -4.919 3.370) 6.054 1.944 ( 1.532 -5.573 7.177) 9.215 2.138 ( 4.916 0.434 -4.009) 6.358 2.213 ( 12.547 -2.877 -4.990) 13.806 2.315 ( 5.755 -6.269 -1.100) 8.581 2.525 ( -0.594 0.127 -2.037) 2.125 2.626 ( 2.103 1.304 3.555) 4.332 2.745 ( 1.590 -0.586 -1.669) 2.378 2.861 ( -1.332 -0.599 1.544) 2.126 2.956 ( 2.217 3.320 2.572) 4.749 3.083 ( -0.084 -0.391 -2.655) 2.685 3.202 ( 5.373 -5.966 0.412) 8.040 3.340 ( -1.643 -12.318 2.599) 12.696 3.542 ( -2.352 5.767 0.275) 6.234 3.867 ( -0.935 2.762 0.377) 2.940 3.993 ( 4.515 -1.588 -0.038) 4.786 4.018 ( -0.207 1.477 -0.218) 1.508 4.257 ( -6.476 1.034 -0.527) 6.579 4.618 ( 2.092 3.611 0.344) 4.188 5.659 ( 0.363 -28.865 2.400) 28.967 6.077 ( -6.295 -10.985 -0.294) 12.664 6.997 ( -13.999 1.097 -4.419) 14.721 7.416 ( -1.170 1.507 -0.413) 1.952 7.640 ( -3.451 -8.996 -0.906) 9.677 7.925 ( 1.816 -4.002 -0.311) 4.406 8.314 ( -2.369 -1.481 1.799) 3.323 8.408 ( 3.544 -0.999 -2.005) 4.193 8.779 ( 0.185 0.377 -0.668) 0.789 9.028 ( 6.288 2.280 1.272) 6.808 9.383 ( -1.370 1.070 -0.270) 1.759 9.762 ( 0.270 1.098 0.287) 1.167 ======================= Grid point 648 (302/324) ======================= q-point: ( 0.36 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 2.064 -6.299 -0.194) 6.632 1.344 ( 2.157 -0.063 -7.821) 8.114 1.540 ( -1.167 -4.618 6.254) 7.862 1.690 ( 0.443 -15.502 -7.064) 17.042 1.862 ( 2.964 -11.196 2.077) 11.767 1.952 ( -1.132 -4.476 0.566) 4.652 2.115 ( 4.168 -7.389 9.378) 12.646 2.200 ( -0.290 -8.053 -4.892) 9.427 2.333 ( 6.154 -5.538 -2.307) 8.595 2.486 ( 10.346 -5.771 -0.359) 11.852 2.526 ( 0.453 -1.018 -2.433) 2.676 2.645 ( 1.817 -2.534 0.364) 3.139 2.717 ( 6.458 5.223 0.290) 8.311 2.827 ( -2.188 0.439 -0.294) 2.251 2.981 ( -0.799 -2.290 -0.327) 2.447 3.103 ( -2.608 -4.465 -3.591) 6.296 3.351 ( -1.164 -1.093 -0.204) 1.609 3.443 ( 4.255 -3.912 0.722) 5.825 3.594 ( -4.956 -11.693 1.811) 12.829 3.821 ( 0.319 1.894 0.741) 2.058 3.926 ( 2.459 5.694 -0.039) 6.203 4.094 ( 4.577 -3.861 0.127) 5.990 4.219 ( -5.610 -0.911 -0.249) 5.689 4.554 ( 2.062 4.482 0.515) 4.960 6.219 ( -2.937 -29.100 3.284) 29.432 6.317 ( -4.238 -16.666 -0.596) 17.207 6.952 ( -11.359 -4.426 -2.274) 12.401 7.421 ( -0.715 -2.161 -0.200) 2.285 7.790 ( -3.157 -9.335 -0.144) 9.855 8.012 ( 0.722 -4.762 -0.233) 4.822 8.362 ( -0.183 -4.011 1.165) 4.181 8.475 ( 4.226 -4.385 -1.557) 6.286 8.778 ( 0.295 -0.490 -0.926) 1.088 9.008 ( 4.405 2.580 0.685) 5.150 9.351 ( -1.367 1.400 -0.298) 1.980 9.734 ( 0.076 1.901 0.299) 1.925 ======================= Grid point 649 (303/324) ======================= q-point: ( 0.43 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -0.802 3.564 3.534) 5.083 1.449 ( 2.861 -10.236 -3.765) 11.275 1.635 ( -1.002 -5.139 4.985) 7.229 1.879 ( 1.446 -7.051 -3.797) 8.138 2.001 ( 7.054 -0.962 -0.274) 7.124 2.066 ( 1.120 -6.655 2.402) 7.163 2.267 ( 5.317 -4.444 8.952) 11.321 2.364 ( -5.015 -8.270 -2.890) 10.094 2.468 ( 4.348 -3.050 -0.696) 5.357 2.516 ( -1.047 -2.028 -5.345) 5.812 2.600 ( 11.643 -0.641 3.874) 12.287 2.671 ( 3.806 -0.397 0.503) 3.859 2.754 ( -0.743 -4.815 -0.686) 4.920 2.857 ( -1.211 -5.489 -1.612) 5.848 3.028 ( -1.529 -5.064 -6.100) 8.074 3.188 ( -1.639 -4.976 -0.746) 5.292 3.282 ( -4.446 2.258 -1.053) 5.097 3.601 ( 4.091 -5.708 1.455) 7.171 3.715 ( -6.173 -4.056 -0.303) 7.393 3.772 ( 0.380 4.912 0.137) 4.928 3.900 ( 5.601 -2.143 1.574) 6.200 4.159 ( 0.366 -1.386 0.473) 1.510 4.263 ( 0.558 -4.944 -0.066) 4.976 4.475 ( 1.563 4.842 0.515) 5.114 6.597 ( -1.408 -14.991 -0.499) 15.066 6.697 ( -4.686 -21.915 1.456) 22.457 7.069 ( -7.907 -14.195 0.288) 16.251 7.458 ( -1.499 -1.759 -0.139) 2.315 7.977 ( -0.659 -12.014 0.773) 12.057 8.119 ( 0.721 -6.718 -0.216) 6.760 8.457 ( 2.030 -5.198 0.259) 5.586 8.591 ( 2.510 -5.892 -0.769) 6.451 8.799 ( 0.271 -1.832 -0.462) 1.909 8.985 ( 2.856 1.870 0.163) 3.418 9.322 ( -1.595 0.760 -0.314) 1.794 9.695 ( 0.013 2.291 0.289) 2.310 ======================= Grid point 650 (304/324) ======================= q-point: ( 0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -1.139 2.938 3.137) 4.446 1.642 ( -1.700 -8.644 0.602) 8.830 1.740 ( 0.625 -5.073 2.726) 5.793 1.985 ( 7.140 -2.064 0.316) 7.439 2.042 ( 5.219 -1.492 -1.912) 5.755 2.173 ( 1.250 -3.913 0.972) 4.221 2.328 ( 1.847 1.361 5.322) 5.795 2.430 ( -4.704 -1.584 0.709) 5.014 2.469 ( 2.901 -1.367 -0.605) 3.263 2.595 ( 5.929 -4.144 -2.477) 7.646 2.685 ( 1.251 -2.876 -1.370) 3.422 2.733 ( 3.455 -2.240 -0.091) 4.119 2.797 ( -0.718 -2.825 2.092) 3.587 2.987 ( -1.136 -6.565 -0.270) 6.668 3.109 ( -2.271 -3.609 -4.109) 5.922 3.204 ( -2.142 0.341 -2.579) 3.370 3.300 ( -3.273 -5.633 0.380) 6.526 3.660 ( 4.021 3.060 0.163) 5.056 3.702 ( -0.310 -0.417 -0.585) 0.782 3.751 ( -3.722 -3.293 -0.217) 4.974 3.982 ( 4.908 -2.260 0.944) 5.485 4.172 ( -1.597 -0.432 0.388) 1.700 4.341 ( 2.923 0.215 0.361) 2.953 4.413 ( 0.411 0.514 0.386) 0.763 6.830 ( -0.132 -10.953 -0.930) 10.993 7.020 ( -6.253 -16.410 1.189) 17.601 7.368 ( -2.021 -17.007 1.423) 17.186 7.470 ( -2.292 -1.857 -0.290) 2.964 8.213 ( 2.360 -11.290 1.155) 11.591 8.282 ( -0.333 -11.211 -0.366) 11.222 8.566 ( 3.599 -4.758 -0.067) 5.966 8.693 ( -0.174 -4.148 -0.587) 4.193 8.845 ( 0.443 -2.671 0.439) 2.742 8.967 ( 1.538 1.310 -0.262) 2.037 9.311 ( -1.840 -0.625 -0.280) 1.964 9.653 ( 0.252 2.320 0.254) 2.348 ======================= Grid point 651 (305/324) ======================= q-point: ( 0.57 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -1.200 -2.058 1.769) 2.968 1.732 ( -1.585 -1.240 1.145) 2.316 1.818 ( 1.108 -2.462 1.919) 3.312 1.984 ( 4.353 3.894 0.407) 5.854 2.122 ( 5.325 -1.758 -0.972) 5.691 2.229 ( 0.958 -2.480 -0.230) 2.668 2.357 ( 0.966 -3.791 2.346) 4.562 2.414 ( -2.502 0.456 1.195) 2.810 2.529 ( 0.428 -3.092 0.279) 3.134 2.655 ( 1.345 0.890 -1.287) 2.063 2.728 ( -1.135 -4.728 -1.063) 4.977 2.812 ( 3.838 -3.451 -0.583) 5.195 2.877 ( 3.361 -3.446 3.230) 5.797 3.006 ( 1.511 4.004 -1.811) 4.647 3.119 ( -6.978 -2.653 -1.243) 7.568 3.202 ( -3.832 -0.905 -0.972) 4.056 3.413 ( 0.527 -6.549 0.185) 6.572 3.584 ( 1.948 5.471 -0.212) 5.811 3.753 ( 0.110 -3.614 -1.758) 4.021 3.796 ( -1.251 -2.695 -0.007) 2.971 4.026 ( 3.159 -0.404 0.468) 3.219 4.163 ( -1.224 0.616 0.012) 1.370 4.294 ( 0.873 3.595 0.685) 3.762 4.447 ( 0.946 -1.484 0.121) 1.764 7.020 ( 0.234 -9.824 -0.547) 9.842 7.238 ( -4.763 -8.068 0.751) 9.399 7.479 ( -0.615 -4.287 0.593) 4.371 7.677 ( -0.602 -12.720 0.281) 12.737 8.417 ( 2.836 -9.701 0.624) 10.126 8.501 ( -0.698 -10.568 0.098) 10.591 8.660 ( 3.834 -3.052 -0.239) 4.906 8.740 ( -1.399 -1.708 -0.264) 2.224 8.895 ( 0.002 -2.368 0.736) 2.480 8.947 ( 0.446 1.281 -0.527) 1.455 9.327 ( -1.851 -2.111 -0.179) 2.814 9.614 ( 0.648 2.225 0.186) 2.325 ======================= Grid point 652 (306/324) ======================= q-point: ( 0.64 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -0.986 -7.226 0.528) 7.312 1.662 ( 2.151 8.310 0.218) 8.587 1.864 ( 1.480 -1.132 1.951) 2.698 1.938 ( -1.584 1.183 -0.672) 2.088 2.138 ( 1.852 0.873 -0.195) 2.056 2.266 ( 0.660 -0.289 0.215) 0.752 2.394 ( -0.536 0.308 0.770) 0.987 2.457 ( 0.888 -3.546 0.122) 3.658 2.553 ( -1.509 0.544 -0.337) 1.639 2.685 ( 4.106 -3.436 1.646) 5.602 2.782 ( -2.950 -1.488 -0.165) 3.308 2.854 ( 3.237 0.746 -3.438) 4.781 2.912 ( -2.145 1.408 1.047) 2.771 2.942 ( 1.330 0.852 0.124) 1.584 3.154 ( -3.025 0.090 2.660) 4.029 3.214 ( -1.602 -6.318 -2.101) 6.848 3.465 ( 2.361 5.896 -0.856) 6.409 3.547 ( -0.266 -5.151 0.581) 5.190 3.802 ( -0.628 -1.269 0.260) 1.439 3.819 ( 0.267 0.123 -1.397) 1.428 4.049 ( 0.637 -1.321 0.120) 1.472 4.144 ( 0.165 1.031 0.093) 1.048 4.241 ( -0.269 2.194 0.309) 2.232 4.462 ( 0.544 0.203 0.060) 0.583 7.198 ( 1.001 -8.760 -0.294) 8.822 7.273 ( -2.613 0.448 0.334) 2.672 7.606 ( -0.213 -7.532 0.353) 7.543 7.838 ( -0.082 -4.561 0.053) 4.562 8.603 ( 2.268 -7.593 0.454) 7.937 8.616 ( -0.904 -2.210 0.054) 2.388 8.692 ( 0.296 0.947 -0.288) 1.033 8.776 ( 0.897 -2.789 0.067) 2.931 8.906 ( 0.834 2.341 0.086) 2.487 8.953 ( -1.361 -3.171 -0.145) 3.454 9.367 ( -1.345 -3.016 -0.085) 3.303 9.574 ( 0.762 2.493 0.104) 2.609 ======================= Grid point 653 (307/324) ======================= q-point: (-0.29 0.21 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -0.227 -10.393 0.001) 10.395 1.483 ( 1.547 11.133 -0.025) 11.240 1.875 ( 2.033 1.301 0.184) 2.420 1.912 ( -3.008 0.607 0.085) 3.070 2.119 ( 0.146 1.630 0.016) 1.636 2.242 ( 0.141 3.853 0.140) 3.859 2.376 ( 0.378 1.159 0.326) 1.262 2.459 ( -0.492 3.661 -0.589) 3.741 2.532 ( -1.267 0.448 -0.323) 1.383 2.745 ( 3.514 0.432 -0.018) 3.540 2.785 ( -2.982 1.664 0.463) 3.446 2.843 ( 4.538 -1.087 -0.196) 4.670 2.896 ( -4.162 -3.203 -1.065) 5.358 2.969 ( 2.349 -1.699 1.397) 3.218 3.103 ( -3.857 2.389 -0.017) 4.537 3.342 ( 0.224 2.730 -0.262) 2.752 3.372 ( 1.424 -4.229 -0.270) 4.471 3.642 ( 0.289 -4.369 0.354) 4.393 3.750 ( 0.307 5.261 0.334) 5.281 3.836 ( -0.856 -1.439 -0.648) 1.796 4.070 ( -0.048 -0.126 0.091) 0.162 4.124 ( 0.339 1.440 0.107) 1.483 4.219 ( -0.258 -0.224 -0.042) 0.344 4.450 ( 0.122 1.116 0.003) 1.122 7.227 ( -0.578 2.948 0.107) 3.006 7.357 ( 0.592 -7.174 -0.097) 7.199 7.715 ( 0.602 -3.755 -0.051) 3.804 7.852 ( -0.491 2.720 0.030) 2.765 8.591 ( -0.476 3.750 1.089) 3.934 8.601 ( -0.715 5.299 -1.160) 5.471 8.760 ( 1.846 -4.630 0.092) 4.986 8.806 ( -0.060 0.365 0.196) 0.419 8.853 ( -0.195 3.180 -0.116) 3.188 9.012 ( -0.321 -2.951 -0.084) 2.970 9.423 ( -0.562 -3.444 -0.028) 3.490 9.526 ( 0.424 3.090 0.030) 3.119 ======================= Grid point 654 (308/324) ======================= q-point: (-0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -0.000 10.175 0.000) 10.175 1.386 ( -0.000 -11.179 0.000) 11.179 1.824 ( 0.000 4.469 0.000) 4.469 1.896 ( 0.000 0.414 0.000) 0.414 2.081 ( -0.000 2.409 -0.000) 2.409 2.101 ( -0.000 10.585 0.000) 10.585 2.351 ( -0.000 6.787 0.000) 6.787 2.383 ( 0.000 -1.307 -0.000) 1.307 2.507 ( -0.000 2.138 0.000) 2.138 2.697 ( 0.000 4.306 0.000) 4.306 2.755 ( -0.000 1.048 -0.000) 1.048 2.858 ( -0.000 0.774 0.000) 0.774 2.997 ( 0.000 -6.856 0.000) 6.856 3.026 ( -0.000 -2.802 0.000) 2.802 3.043 ( -0.000 2.340 0.000) 2.340 3.263 ( 0.000 2.315 0.000) 2.315 3.472 ( 0.000 -3.092 0.000) 3.092 3.628 ( -0.000 7.384 0.000) 7.384 3.712 ( -0.000 -2.365 0.000) 2.365 3.849 ( 0.000 0.259 0.000) 0.259 4.053 ( 0.000 1.534 0.000) 1.534 4.098 ( -0.000 0.793 -0.000) 0.793 4.242 ( 0.000 -1.815 0.000) 1.815 4.423 ( 0.000 1.872 0.000) 1.872 7.154 ( -0.000 4.841 0.000) 4.841 7.465 ( -0.000 -4.131 0.000) 4.131 7.740 ( 0.000 8.817 -0.000) 8.817 7.750 ( -0.000 0.325 0.000) 0.325 8.452 ( 0.000 9.334 0.000) 9.334 8.512 ( -0.000 5.250 0.000) 5.250 8.752 ( 0.000 5.010 0.000) 5.010 8.774 ( -0.000 3.094 0.000) 3.094 8.832 ( 0.000 -0.248 0.000) 0.248 9.044 ( -0.000 -0.464 0.000) 0.464 9.468 ( 0.000 3.017 0.000) 3.017 9.488 ( -0.000 -3.630 0.000) 3.630 ======================= Grid point 662 (309/324) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -0.792 -0.000 -4.891) 4.955 0.957 ( -1.487 -0.000 -6.538) 6.705 1.260 ( -3.888 -0.000 -19.559) 19.942 1.542 ( -4.826 -0.000 -4.734) 6.761 1.570 ( 7.593 0.000 4.513) 8.833 1.839 ( -7.755 -0.000 0.513) 7.772 1.895 ( 7.697 0.000 11.582) 13.906 2.173 ( 4.393 0.000 -4.267) 6.125 2.252 ( 2.070 0.000 3.693) 4.233 2.275 ( 18.519 0.000 -7.946) 20.151 2.535 ( 0.359 0.000 -0.512) 0.625 2.669 ( -2.839 -0.000 -6.667) 7.246 2.677 ( 3.192 0.000 6.088) 6.874 2.867 ( 1.825 0.000 2.871) 3.402 3.060 ( 0.152 0.000 -0.303) 0.339 3.096 ( 3.724 0.000 1.124) 3.890 3.127 ( -0.859 -0.000 -0.181) 0.878 3.211 ( 3.425 0.000 1.766) 3.853 3.598 ( -4.788 -0.000 1.503) 5.018 3.905 ( -1.514 -0.000 -0.118) 1.519 3.943 ( -1.295 -0.000 0.579) 1.418 4.056 ( 1.463 0.000 -0.464) 1.535 4.249 ( -2.868 -0.000 -0.145) 2.872 4.668 ( 1.038 0.000 -0.014) 1.038 5.359 ( 5.583 0.000 -0.285) 5.590 5.932 ( -7.395 -0.000 -0.182) 7.397 6.929 ( -14.685 -0.000 -5.281) 15.606 7.457 ( -2.961 -0.000 -1.527) 3.331 7.501 ( -0.556 -0.000 0.126) 0.570 7.896 ( 2.677 0.000 -0.167) 2.683 8.292 ( -2.576 -0.000 2.223) 3.402 8.405 ( 1.273 0.000 -2.836) 3.109 8.791 ( 2.240 0.000 -0.257) 2.255 9.076 ( 2.741 0.000 1.445) 3.099 9.393 ( 0.319 0.000 0.002) 0.319 9.774 ( 0.195 0.000 0.322) 0.377 ======================= Grid point 663 (310/324) ======================= q-point: ( 0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 2.691 -8.606 -2.529) 9.365 1.246 ( -0.985 -24.678 -3.476) 24.941 1.271 ( -2.584 -6.646 -16.093) 17.602 1.537 ( -1.269 1.507 0.887) 2.161 1.657 ( 0.144 -9.936 -1.165) 10.005 1.836 ( -4.172 -3.619 2.848) 6.215 2.023 ( 5.606 -6.218 9.846) 12.924 2.165 ( 3.766 0.902 -3.194) 5.020 2.293 ( 4.743 -2.190 0.598) 5.258 2.403 ( 13.044 -5.465 -5.623) 15.220 2.517 ( 1.469 0.406 -2.203) 2.679 2.666 ( 2.838 0.389 1.704) 3.333 2.745 ( -0.047 -3.989 0.146) 3.992 2.873 ( 2.310 2.095 2.214) 3.825 2.979 ( 0.879 3.526 1.285) 3.854 3.053 ( -2.521 1.271 -4.597) 5.395 3.266 ( 6.146 -5.627 1.021) 8.395 3.328 ( -2.559 -11.507 1.999) 11.957 3.511 ( -3.583 5.143 0.408) 6.281 3.854 ( -1.549 2.038 0.400) 2.591 4.012 ( -0.370 -2.278 -0.104) 2.311 4.029 ( 0.391 -0.064 -0.119) 0.414 4.213 ( -0.931 2.371 -0.219) 2.556 4.636 ( 1.450 3.189 0.251) 3.513 5.675 ( 1.393 -26.347 1.663) 26.436 6.012 ( -6.417 -11.851 -0.177) 13.478 6.850 ( -11.722 -0.456 -3.981) 12.388 7.401 ( -1.290 0.957 -0.460) 1.671 7.609 ( -2.243 -8.264 -0.510) 8.578 7.941 ( 1.612 -3.214 -0.192) 3.601 8.304 ( -1.308 -2.051 2.446) 3.449 8.422 ( 1.075 -2.203 -3.220) 4.047 8.795 ( 3.702 0.940 -0.381) 3.839 9.066 ( 0.273 1.841 0.984) 2.105 9.380 ( 1.001 1.633 -0.010) 1.915 9.764 ( 0.001 1.150 0.311) 1.191 ======================= Grid point 664 (311/324) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 2.410 -5.286 2.272) 6.238 1.314 ( -0.588 -4.108 -9.946) 10.777 1.543 ( -1.817 -3.928 3.908) 5.831 1.682 ( 2.564 -16.642 -4.880) 17.531 1.898 ( 0.928 -14.400 2.172) 14.592 1.929 ( -2.678 -7.226 1.474) 7.846 2.175 ( 1.101 -4.712 -0.870) 4.917 2.210 ( 5.006 -5.703 6.457) 9.964 2.378 ( 4.007 -4.682 -1.240) 6.286 2.492 ( -0.695 -1.361 -2.654) 3.063 2.616 ( 9.112 -7.616 -3.440) 12.364 2.673 ( 4.973 1.129 2.861) 5.847 2.792 ( 8.018 6.762 0.176) 10.490 2.802 ( -2.273 -1.516 0.747) 2.832 2.959 ( -1.944 -0.239 -3.496) 4.007 3.062 ( -3.300 -5.311 -1.941) 6.547 3.321 ( -4.159 2.766 -0.534) 5.023 3.493 ( 4.016 -6.693 1.525) 7.953 3.547 ( -4.640 -10.151 0.475) 11.171 3.831 ( 1.355 0.782 0.670) 1.702 3.941 ( 0.124 3.839 0.215) 3.847 4.143 ( 3.818 -5.691 -0.014) 6.853 4.170 ( -3.061 0.418 0.043) 3.090 4.573 ( 1.529 4.436 0.339) 4.705 6.207 ( -1.856 -27.878 2.567) 28.058 6.275 ( -3.626 -18.070 -0.634) 18.441 6.842 ( -8.927 -5.519 -1.864) 10.660 7.412 ( -0.886 -2.157 -0.166) 2.338 7.765 ( -1.944 -9.926 0.012) 10.115 8.019 ( 0.807 -4.623 -0.092) 4.694 8.369 ( 0.283 -4.592 1.802) 4.941 8.491 ( 0.777 -5.168 -2.721) 5.892 8.800 ( 4.617 0.483 -0.241) 4.649 9.027 ( -1.007 1.957 0.415) 2.240 9.347 ( 0.640 2.161 -0.148) 2.259 9.735 ( -0.208 1.913 0.260) 1.942 ======================= Grid point 665 (312/324) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -0.381 4.087 2.802) 4.970 1.446 ( -0.179 -10.426 -3.833) 11.110 1.647 ( 0.228 -5.926 3.308) 6.790 1.891 ( 3.187 -7.930 -1.805) 8.735 2.044 ( 1.363 -4.583 -0.847) 4.856 2.106 ( 4.527 -4.273 3.699) 7.241 2.300 ( -4.843 -9.284 -2.998) 10.892 2.351 ( 4.230 -3.118 9.012) 10.432 2.481 ( -0.871 0.293 -4.881) 4.967 2.507 ( 3.014 -5.953 -0.335) 6.681 2.692 ( 0.113 -1.810 -1.415) 2.300 2.714 ( 6.065 2.730 -0.685) 6.687 2.763 ( 4.372 -2.364 3.026) 5.819 2.845 ( -0.788 -4.924 0.548) 5.017 3.001 ( 2.019 -5.438 -6.302) 8.566 3.162 ( -3.599 -6.625 0.277) 7.544 3.234 ( -4.287 3.086 -1.375) 5.458 3.636 ( 1.811 -5.279 1.111) 5.690 3.654 ( -4.959 -4.415 -0.372) 6.650 3.780 ( 0.908 5.148 -0.029) 5.228 3.957 ( 4.557 -3.238 1.008) 5.681 4.151 ( -1.913 -0.314 0.380) 1.976 4.280 ( 2.279 -6.251 -0.032) 6.653 4.490 ( 0.995 5.149 0.345) 5.255 6.588 ( 0.123 -16.052 -0.754) 16.070 6.656 ( -4.561 -19.903 1.266) 20.458 7.005 ( -5.028 -16.914 0.260) 17.648 7.444 ( -1.215 -1.345 -0.049) 1.813 7.975 ( -0.320 -13.285 0.530) 13.300 8.126 ( 0.718 -6.588 -0.075) 6.627 8.477 ( 1.575 -5.983 0.922) 6.255 8.594 ( -0.612 -5.766 -1.855) 6.088 8.826 ( 4.804 -0.719 0.383) 4.872 8.991 ( -1.687 1.215 -0.106) 2.081 9.313 ( -0.127 1.450 -0.183) 1.467 9.695 ( -0.191 2.173 0.205) 2.191 ======================= Grid point 666 (313/324) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.385 3.215 1.759) 3.685 1.622 ( -2.003 -8.513 -0.065) 8.746 1.755 ( 0.552 -4.626 1.351) 4.851 2.054 ( 6.212 -6.696 0.227) 9.137 2.087 ( 3.898 0.931 -0.187) 4.012 2.186 ( 0.392 -2.925 0.389) 2.977 2.358 ( 0.698 3.013 3.130) 4.400 2.381 ( -4.414 -2.358 -0.038) 5.005 2.480 ( 0.575 -1.984 -0.621) 2.157 2.624 ( 1.192 -5.130 -0.806) 5.328 2.694 ( 0.932 1.628 -1.381) 2.329 2.750 ( 1.230 -4.015 -1.022) 4.321 2.840 ( 5.978 -3.974 2.571) 7.625 2.970 ( -2.972 -6.554 1.527) 7.357 3.081 ( -0.217 -1.139 -3.288) 3.486 3.170 ( -2.557 0.733 -2.312) 3.524 3.276 ( -1.884 -7.384 0.373) 7.630 3.689 ( 1.614 4.490 -0.025) 4.772 3.698 ( 0.116 -2.317 -0.802) 2.455 3.718 ( -2.625 -3.724 0.409) 4.574 4.034 ( 4.487 -1.590 0.576) 4.795 4.152 ( -2.509 -0.618 0.108) 2.587 4.372 ( 2.968 1.006 0.217) 3.141 4.413 ( -0.783 0.058 0.222) 0.816 6.829 ( 0.430 -10.704 -0.769) 10.741 6.972 ( -4.071 -16.759 0.909) 17.270 7.359 ( -0.875 -19.300 0.808) 19.337 7.451 ( -1.330 -0.828 -0.181) 1.577 8.238 ( 1.609 -12.962 0.919) 13.094 8.276 ( -0.407 -10.074 -0.443) 10.092 8.598 ( 2.670 -5.420 0.506) 6.063 8.677 ( -1.928 -3.940 -1.202) 4.548 8.868 ( 3.116 -1.198 0.811) 3.435 8.966 ( -1.180 0.615 -0.419) 1.396 9.297 ( -0.795 -0.165 -0.148) 0.826 9.655 ( 0.059 2.088 0.140) 2.094 ======================= Grid point 667 (314/324) ======================= q-point: ( 0.64 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.307 -1.710 0.640) 1.852 1.721 ( -0.923 -2.302 0.352) 2.505 1.831 ( 0.439 -3.237 0.609) 3.323 2.018 ( 1.868 6.453 0.178) 6.720 2.168 ( 3.481 0.572 -0.131) 3.530 2.231 ( -0.378 -4.068 -0.311) 4.098 2.371 ( 0.232 -2.129 1.478) 2.602 2.390 ( -1.830 -2.533 -0.151) 3.129 2.530 ( -0.168 -2.771 0.077) 2.777 2.666 ( 0.967 0.550 -0.103) 1.117 2.714 ( -0.810 -4.171 -0.711) 4.308 2.830 ( 0.947 -3.340 -0.409) 3.495 2.944 ( 5.595 -0.439 3.006) 6.366 3.011 ( 0.689 4.334 -1.294) 4.575 3.048 ( -5.792 -5.729 -1.291) 8.248 3.169 ( -1.810 -0.381 -0.502) 1.916 3.418 ( 0.235 -7.620 0.136) 7.624 3.595 ( 0.555 5.901 -0.091) 5.927 3.750 ( 0.213 -2.758 -0.739) 2.863 3.785 ( -0.752 -3.989 0.077) 4.060 4.055 ( 1.798 0.846 0.265) 2.004 4.149 ( -1.043 -0.188 -0.108) 1.065 4.303 ( 0.401 4.174 0.267) 4.202 4.454 ( 0.333 -1.532 0.041) 1.569 7.021 ( 0.168 -10.070 -0.232) 10.074 7.207 ( -1.768 -8.299 0.307) 8.491 7.476 ( -0.188 -4.414 0.211) 4.423 7.674 ( -0.227 -13.130 0.096) 13.132 8.440 ( 1.203 -9.686 0.274) 9.764 8.495 ( -0.376 -10.590 0.008) 10.596 8.692 ( 2.684 -2.218 0.144) 3.485 8.721 ( -2.059 -2.792 -0.404) 3.493 8.901 ( 0.367 -1.560 0.410) 1.654 8.948 ( 0.007 1.292 -0.272) 1.321 9.313 ( -0.712 -2.011 -0.066) 2.135 9.618 ( 0.220 2.025 0.065) 2.038 ======================= Grid point 668 (315/324) ======================= q-point: ( 0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.000 -7.122 0.000) 7.122 1.673 ( -0.000 7.462 0.000) 7.462 1.881 ( -0.000 -1.568 0.000) 1.568 1.925 ( 0.000 2.680 0.000) 2.680 2.148 ( -0.000 1.473 0.000) 1.473 2.270 ( -0.000 -0.140 0.000) 0.140 2.391 ( -0.000 -0.598 0.000) 0.598 2.462 ( -0.000 -2.957 0.000) 2.957 2.545 ( -0.000 1.010 0.000) 1.010 2.720 ( 0.000 -5.409 0.000) 5.409 2.757 ( -0.000 -0.560 0.000) 0.560 2.863 ( -0.000 0.193 0.000) 0.193 2.901 ( 0.000 4.162 0.000) 4.162 2.951 ( -0.000 0.260 0.000) 0.260 3.144 ( -0.000 2.219 0.000) 2.219 3.201 ( -0.000 -9.521 0.000) 9.521 3.475 ( -0.000 6.830 0.000) 6.830 3.547 ( 0.000 -5.999 -0.000) 5.999 3.798 ( -0.000 -2.327 0.000) 2.327 3.819 ( -0.000 1.141 0.000) 1.141 4.052 ( -0.000 -0.808 0.000) 0.808 4.145 ( 0.000 0.566 0.000) 0.566 4.241 ( -0.000 2.469 0.000) 2.469 4.465 ( -0.000 0.270 0.000) 0.270 7.203 ( -0.000 -9.229 0.000) 9.229 7.260 ( -0.000 0.460 0.000) 0.460 7.606 ( -0.000 -7.637 0.000) 7.637 7.838 ( -0.000 -4.522 0.000) 4.522 8.611 ( -0.000 -1.804 -0.000) 1.804 8.616 ( -0.000 -7.737 0.000) 7.737 8.692 ( -0.000 1.295 0.000) 1.295 8.781 ( -0.000 -3.088 0.000) 3.088 8.910 ( -0.000 2.700 0.000) 2.700 8.946 ( -0.000 -3.330 0.000) 3.330 9.360 ( -0.000 -3.070 0.000) 3.070 9.579 ( -0.000 2.435 0.000) 2.435 ======================= Grid point 678 (316/324) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.483 0.000 -3.006) 3.045 0.922 ( -0.957 -0.000 -4.917) 5.009 1.166 ( -0.633 -0.000 -15.953) 15.966 1.479 ( -4.348 -0.000 -3.792) 5.769 1.604 ( -2.497 -0.000 -1.382) 2.854 1.801 ( -1.042 -0.000 4.833) 4.944 2.010 ( 6.614 0.000 9.755) 11.786 2.193 ( 2.826 0.000 -3.267) 4.320 2.283 ( 1.559 0.000 2.830) 3.231 2.421 ( 14.826 0.000 -6.087) 16.026 2.544 ( 2.124 0.000 0.019) 2.124 2.613 ( -3.045 -0.000 -6.596) 7.265 2.742 ( 4.691 0.000 6.004) 7.619 2.900 ( 3.038 0.000 2.336) 3.833 3.043 ( -2.053 -0.000 -2.230) 3.031 3.114 ( -0.698 -0.000 0.334) 0.774 3.117 ( -0.816 -0.000 -0.288) 0.865 3.272 ( 6.544 0.000 1.381) 6.688 3.554 ( -4.446 -0.000 0.941) 4.545 3.891 ( -1.122 -0.000 -0.054) 1.123 3.913 ( -4.780 -0.000 0.629) 4.821 4.045 ( -2.979 -0.000 -0.475) 3.016 4.260 ( 4.219 0.000 0.109) 4.220 4.675 ( 0.445 0.000 0.042) 0.447 5.415 ( 5.663 0.000 -0.350) 5.674 5.859 ( -7.117 -0.000 -0.020) 7.117 6.784 ( -10.552 -0.000 -4.052) 11.303 7.425 ( -2.322 -0.000 -1.086) 2.563 7.497 ( -0.326 -0.000 0.094) 0.339 7.918 ( 1.988 0.000 -0.140) 1.992 8.284 ( -1.059 -0.000 2.963) 3.147 8.394 ( -0.824 -0.000 -3.763) 3.852 8.829 ( 5.399 0.000 -0.247) 5.404 9.077 ( -3.148 -0.000 0.939) 3.285 9.408 ( 2.315 0.000 0.290) 2.334 9.776 ( -0.038 -0.000 0.314) 0.316 ======================= Grid point 679 (317/324) ======================= q-point: ( 0.43 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 3.008 -10.760 0.308) 11.177 1.187 ( -2.093 -5.353 -11.258) 12.641 1.232 ( 0.509 -27.002 -4.208) 27.333 1.515 ( -2.279 -0.792 0.286) 2.430 1.627 ( -4.422 -10.319 -3.214) 11.677 1.836 ( 0.455 -2.690 4.636) 5.380 2.113 ( 4.917 -5.237 7.896) 10.675 2.187 ( 2.731 0.482 -2.029) 3.436 2.325 ( 1.407 -2.800 0.844) 3.245 2.471 ( 3.683 -0.101 -3.228) 4.898 2.557 ( 7.764 -2.573 -3.974) 9.094 2.674 ( -0.777 -5.069 -1.569) 5.363 2.776 ( 4.279 -0.003 5.183) 6.721 2.920 ( 5.233 1.271 1.314) 5.543 2.983 ( -0.539 4.156 -0.019) 4.191 3.003 ( -3.651 1.993 -4.347) 6.016 3.304 ( -2.393 -11.733 0.711) 11.996 3.314 ( 1.010 -1.067 0.367) 1.514 3.491 ( -0.158 2.800 0.734) 2.899 3.844 ( -0.781 0.804 0.515) 1.234 3.997 ( -5.292 -0.764 -0.122) 5.348 4.007 ( -0.396 -3.878 -0.079) 3.899 4.235 ( 3.960 3.959 -0.030) 5.599 4.648 ( 0.818 2.762 0.160) 2.885 5.698 ( 2.026 -24.103 0.900) 24.205 5.952 ( -5.337 -12.802 -0.062) 13.870 6.740 ( -7.700 -1.277 -2.685) 8.254 7.388 ( -1.026 0.501 -0.358) 1.196 7.591 ( -1.215 -7.740 -0.230) 7.838 7.954 ( 1.136 -2.745 -0.105) 2.972 8.308 ( 0.002 -2.328 2.945) 3.754 8.406 ( -1.114 -2.879 -3.704) 4.822 8.846 ( 6.535 1.092 -0.260) 6.631 9.045 ( -4.585 1.277 0.618) 4.800 9.398 ( 2.116 2.155 0.138) 3.024 9.764 ( -0.176 1.221 0.245) 1.258 ======================= Grid point 680 (318/324) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 1.527 -3.489 2.969) 4.829 1.267 ( -1.152 -7.025 -7.556) 10.381 1.543 ( -0.504 -4.667 2.152) 5.164 1.696 ( 2.970 -17.853 -2.679) 18.296 1.862 ( -4.856 -13.889 -1.039) 14.750 1.949 ( 1.460 -10.848 3.563) 11.511 2.177 ( 0.945 -0.815 -2.098) 2.441 2.292 ( 4.496 -7.078 7.944) 11.550 2.397 ( 1.262 -4.326 -2.697) 5.252 2.480 ( -0.209 -0.960 -1.180) 1.536 2.643 ( 2.271 -2.807 -3.956) 5.356 2.739 ( 1.677 -0.920 1.578) 2.480 2.798 ( 2.300 0.327 3.562) 4.253 2.878 ( 5.239 5.503 0.903) 7.652 2.932 ( 3.045 -1.421 -5.997) 6.874 3.023 ( -3.797 -5.322 -0.075) 6.538 3.268 ( -5.749 3.181 -0.350) 6.580 3.498 ( -2.594 -9.219 0.386) 9.585 3.543 ( 2.299 -5.887 0.571) 6.346 3.855 ( 3.113 0.390 0.224) 3.145 3.928 ( -2.790 1.151 0.333) 3.036 4.129 ( -2.201 -4.991 0.002) 5.455 4.195 ( 3.301 0.024 0.058) 3.301 4.586 ( 0.848 4.369 0.168) 4.453 6.203 ( -0.587 -26.760 1.652) 26.818 6.242 ( -2.347 -19.325 -0.660) 19.478 6.767 ( -4.919 -6.204 -1.035) 7.984 7.404 ( -0.595 -2.120 -0.094) 2.204 7.751 ( -0.899 -10.284 0.044) 10.324 8.026 ( 0.555 -4.564 -0.026) 4.598 8.381 ( 0.628 -4.730 1.805) 5.102 8.477 ( -0.969 -5.590 -2.486) 6.195 8.860 ( 7.032 0.861 0.016) 7.084 8.996 ( -5.127 1.263 0.159) 5.283 9.358 ( 1.202 2.822 -0.034) 3.068 9.733 ( -0.244 1.934 0.154) 1.955 ======================= Grid point 681 (319/324) ======================= q-point: ( 0.57 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -0.093 4.395 1.104) 4.532 1.428 ( -0.603 -10.548 -1.613) 10.688 1.661 ( 0.426 -6.157 1.189) 6.286 1.918 ( 2.348 -8.669 -0.365) 8.988 2.036 ( -1.127 -7.465 -0.571) 7.571 2.164 ( 3.584 -1.506 2.775) 4.776 2.249 ( -2.981 -10.622 -2.325) 11.275 2.415 ( 1.810 -0.894 7.293) 7.567 2.454 ( -0.309 -1.044 -5.417) 5.525 2.530 ( 1.284 -5.235 0.123) 5.391 2.677 ( -0.791 -2.839 -1.469) 3.292 2.729 ( 0.194 1.658 -0.579) 1.767 2.823 ( 3.499 -0.229 0.578) 3.553 2.842 ( -1.116 -3.669 1.500) 4.118 3.031 ( 6.993 -4.397 -2.882) 8.749 3.117 ( -5.713 -6.534 0.835) 8.720 3.193 ( -2.318 1.648 -0.818) 2.959 3.615 ( -1.977 -5.047 -0.079) 5.421 3.654 ( 0.587 -4.245 0.355) 4.301 3.787 ( 0.453 5.311 -0.058) 5.330 3.994 ( 1.939 -4.805 0.360) 5.194 4.134 ( -1.254 0.266 0.140) 1.289 4.298 ( 1.090 -6.350 -0.010) 6.443 4.497 ( 0.346 5.392 0.124) 5.405 6.594 ( 1.839 -17.691 -0.931) 17.810 6.620 ( -3.485 -17.555 1.082) 17.930 6.972 ( -1.696 -18.607 0.110) 18.684 7.435 ( -0.462 -1.156 -0.011) 1.245 7.975 ( -0.095 -13.878 0.187) 13.880 8.131 ( 0.310 -6.548 -0.014) 6.556 8.493 ( 0.841 -6.424 0.704) 6.517 8.577 ( -0.928 -5.582 -1.113) 5.767 8.883 ( 5.464 0.279 0.447) 5.490 8.957 ( -4.246 0.146 -0.295) 4.259 9.314 ( 0.235 2.017 -0.054) 2.031 9.694 ( -0.115 2.096 0.075) 2.100 ======================= Grid point 682 (320/324) ======================= q-point: ( 0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -0.000 3.297 0.000) 3.297 1.610 ( 0.000 -8.581 0.000) 8.581 1.761 ( -0.000 -4.414 0.000) 4.414 2.092 ( 0.000 -8.899 -0.000) 8.899 2.107 ( -0.000 0.804 0.000) 0.804 2.185 ( 0.000 -1.086 0.000) 1.086 2.356 ( -0.000 -2.100 -0.000) 2.100 2.368 ( -0.000 3.260 0.000) 3.260 2.481 ( -0.000 -2.080 -0.000) 2.080 2.626 ( -0.000 -4.759 0.000) 4.759 2.694 ( 0.000 1.872 0.000) 1.872 2.756 ( 0.000 -4.745 0.000) 4.745 2.889 ( 0.000 -5.869 0.000) 5.869 2.948 ( -0.000 -4.681 0.000) 4.681 3.076 ( -0.000 1.312 0.000) 1.312 3.148 ( -0.000 -0.629 0.000) 0.629 3.267 ( 0.000 -7.906 0.000) 7.906 3.695 ( 0.000 4.765 -0.000) 4.765 3.696 ( -0.000 -4.670 0.000) 4.670 3.708 ( -0.000 -1.962 0.000) 1.962 4.062 ( -0.000 -1.431 0.000) 1.431 4.135 ( -0.000 -0.665 0.000) 0.665 4.396 ( 0.000 5.409 0.000) 5.409 4.402 ( -0.000 -4.201 0.000) 4.201 6.830 ( -0.000 -10.418 0.000) 10.418 6.952 ( -0.000 -17.118 0.000) 17.118 7.356 ( 0.000 -20.250 0.000) 20.250 7.444 ( -0.000 -0.300 0.000) 0.300 8.249 ( 0.000 -14.765 0.000) 14.765 8.272 ( -0.000 -8.453 0.000) 8.453 8.617 ( 0.000 -6.055 0.000) 6.055 8.660 ( -0.000 -3.534 0.000) 3.534 8.892 ( -0.000 0.089 0.000) 0.089 8.953 ( 0.000 -0.429 0.000) 0.429 9.293 ( 0.000 0.104 0.000) 0.104 9.656 ( -0.000 1.996 0.000) 1.996 ======================= Grid point 694 (321/324) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.643 0.000 -1.131) 1.301 0.900 ( -0.337 -0.000 -2.821) 2.841 1.120 ( 1.202 0.000 -9.168) 9.246 1.431 ( -2.686 -0.000 -2.138) 3.433 1.548 ( -5.142 -0.000 -1.688) 5.412 1.830 ( 1.685 0.000 3.818) 4.174 2.097 ( 4.216 0.000 6.198) 7.496 2.203 ( 1.412 0.000 -2.088) 2.520 2.304 ( 0.812 0.000 1.543) 1.744 2.499 ( 4.669 0.000 -2.317) 5.212 2.562 ( -2.302 -0.000 -4.671) 5.208 2.581 ( 4.461 0.000 -0.468) 4.486 2.814 ( 5.167 0.000 4.625) 6.935 2.942 ( 3.385 0.000 0.334) 3.401 3.008 ( -2.785 -0.000 -1.414) 3.123 3.099 ( -1.763 -0.000 -0.362) 1.800 3.109 ( -0.501 -0.000 -0.213) 0.545 3.322 ( 2.123 0.000 0.130) 2.127 3.534 ( 0.119 0.000 0.589) 0.601 3.862 ( -5.378 -0.000 0.722) 5.426 3.882 ( -0.588 -0.000 -0.015) 0.588 4.014 ( -2.212 -0.000 -0.392) 2.247 4.305 ( 3.850 0.000 0.086) 3.851 4.678 ( 0.063 0.000 0.051) 0.081 5.464 ( 4.171 0.000 -0.279) 4.180 5.797 ( -4.978 -0.000 0.075) 4.978 6.692 ( -5.508 -0.000 -2.155) 5.914 7.404 ( -1.274 -0.000 -0.563) 1.393 7.495 ( -0.144 -0.000 0.050) 0.152 7.933 ( 1.051 0.000 -0.080) 1.054 8.294 ( 0.499 0.000 3.400) 3.436 8.364 ( -1.855 -0.000 -3.907) 4.325 8.891 ( 7.157 0.000 -0.350) 7.165 9.031 ( -6.289 -0.000 0.627) 6.320 9.432 ( 1.872 0.000 0.233) 1.886 9.776 ( -0.118 -0.000 0.196) 0.229 ======================= Grid point 695 (322/324) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 1.239 -12.500 0.819) 12.588 1.142 ( -0.438 -3.672 -4.783) 6.046 1.225 ( 0.283 -28.007 -1.471) 28.047 1.506 ( -0.133 -0.556 0.848) 1.023 1.570 ( -3.375 -12.469 -2.077) 13.084 1.858 ( 0.711 -2.089 1.968) 2.957 2.168 ( 1.640 -2.767 2.004) 3.790 2.206 ( 1.526 -2.241 0.725) 2.807 2.332 ( 0.075 -2.420 -0.126) 2.424 2.481 ( 0.826 1.173 -0.991) 1.744 2.597 ( 2.714 -3.323 -2.479) 4.955 2.661 ( -0.715 -5.547 0.130) 5.594 2.850 ( 5.532 -0.011 4.737) 7.283 2.938 ( -3.499 2.168 -5.178) 6.614 2.975 ( -0.225 2.721 2.193) 3.502 2.982 ( 2.481 2.333 -1.007) 3.551 3.274 ( -2.767 -6.000 0.242) 6.612 3.315 ( -0.291 -2.678 -0.216) 2.702 3.506 ( 1.484 0.999 0.394) 1.832 3.843 ( 0.129 -1.026 0.301) 1.077 3.949 ( -3.190 -1.539 -0.055) 3.542 4.005 ( -0.121 -3.391 -0.046) 3.393 4.267 ( 1.891 4.407 -0.005) 4.796 4.654 ( 0.257 2.463 0.057) 2.477 5.718 ( 1.164 -22.691 0.274) 22.722 5.912 ( -2.314 -13.509 -0.008) 13.706 6.680 ( -2.682 -1.605 -0.939) 3.264 7.380 ( -0.392 0.247 -0.134) 0.482 7.582 ( -0.378 -7.469 -0.062) 7.479 7.962 ( 0.414 -2.547 -0.033) 2.581 8.324 ( 0.635 -2.119 2.227) 3.139 8.379 ( -1.193 -3.422 -2.525) 4.417 8.916 ( 7.411 1.038 -0.306) 7.490 8.989 ( -6.818 1.020 0.414) 6.906 9.415 ( 0.975 2.358 0.069) 2.553 9.763 ( -0.106 1.274 0.094) 1.281 ======================= Grid point 696 (323/324) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -0.000 -2.410 -0.000) 2.410 1.244 ( 0.000 -8.163 0.000) 8.163 1.546 ( -0.000 -5.137 0.000) 5.137 1.709 ( 0.000 -18.912 0.000) 18.912 1.831 ( -0.000 -13.680 0.000) 13.680 1.965 ( -0.000 -11.507 0.000) 11.507 2.177 ( -0.000 0.047 0.000) 0.047 2.340 ( -0.000 -8.261 -0.000) 8.261 2.389 ( 0.000 -3.473 0.000) 3.473 2.477 ( 0.000 -0.714 0.000) 0.714 2.646 ( 0.000 -1.250 0.000) 1.250 2.741 ( -0.000 -1.653 -0.000) 1.653 2.834 ( -0.000 3.221 0.000) 3.221 2.878 ( -0.000 2.434 -0.000) 2.434 2.979 ( 0.000 -4.194 -0.000) 4.194 2.988 ( -0.000 -2.244 0.000) 2.244 3.230 ( -0.000 3.070 0.000) 3.070 3.485 ( -0.000 -8.827 0.000) 8.827 3.557 ( -0.000 -5.264 0.000) 5.264 3.887 ( 0.000 4.821 0.000) 4.821 3.899 ( -0.000 -4.629 0.000) 4.629 4.119 ( -0.000 -4.652 0.000) 4.652 4.212 ( -0.000 -0.031 0.000) 0.031 4.591 ( -0.000 4.336 0.000) 4.336 6.205 ( 0.000 -26.589 0.000) 26.589 6.227 ( -0.000 -19.549 0.000) 19.549 6.740 ( -0.000 -6.431 0.000) 6.431 7.401 ( -0.000 -2.103 0.000) 2.103 7.747 ( -0.000 -10.403 0.000) 10.403 8.029 ( -0.000 -4.552 0.000) 4.552 8.389 ( -0.000 -4.655 0.000) 4.655 8.464 ( -0.000 -5.781 0.000) 5.781 8.923 ( -0.000 1.323 0.000) 1.323 8.943 ( 0.000 0.616 0.000) 0.616 9.365 ( -0.000 3.041 0.000) 3.041 9.732 ( -0.000 1.943 0.000) 1.943 ======================= Grid point 711 (324/324) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.000 -0.000 0.000) 0.000 0.892 ( -0.000 -0.000 0.000) 0.000 1.110 ( 0.000 0.000 0.000) 0.000 1.413 ( -0.000 -0.000 0.000) 0.000 1.516 ( -0.000 -0.000 0.000) 0.000 1.847 ( -0.000 -0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.205 ( -0.000 -0.000 0.000) 0.000 2.311 ( -0.000 -0.000 0.000) 0.000 2.515 ( -0.000 -0.000 0.000) 0.000 2.539 ( -0.000 -0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 2.996 ( -0.000 -0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.106 ( -0.000 -0.000 0.000) 0.000 3.327 ( -0.000 -0.000 0.000) 0.000 3.542 ( -0.000 -0.000 0.000) 0.000 3.832 ( -0.000 -0.000 0.000) 0.000 3.879 ( -0.000 -0.000 0.000) 0.000 4.002 ( -0.000 -0.000 0.000) 0.000 4.326 ( -0.000 -0.000 0.000) 0.000 4.678 ( -0.000 -0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.770 ( -0.000 -0.000 0.000) 0.000 6.660 ( -0.000 -0.000 0.000) 0.000 7.396 ( -0.000 -0.000 0.000) 0.000 7.494 ( -0.000 -0.000 0.000) 0.000 7.938 ( -0.000 -0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.339 ( -0.000 -0.000 -0.000) 0.000 8.957 ( -0.000 -0.000 0.000) 0.000 8.970 ( 0.000 0.000 -0.000) 0.000 9.442 ( -0.000 -0.000 0.000) 0.000 9.776 ( -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 3/42336 10.0 213.869 52.624 120.094 0.000 61.688 0.000 3/42336 20.0 26.543 10.419 15.732 0.000 6.008 0.000 3/42336 30.0 10.083 5.197 6.044 0.000 2.036 0.000 3/42336 40.0 5.830 3.486 3.503 0.000 1.100 0.000 3/42336 50.0 4.066 2.666 2.442 0.000 0.735 0.000 3/42336 60.0 3.127 2.187 1.875 0.000 0.548 0.000 3/42336 70.0 2.547 1.873 1.524 0.000 0.437 0.000 3/42336 80.0 2.153 1.649 1.286 0.000 0.363 0.000 3/42336 90.0 1.867 1.480 1.113 0.000 0.311 0.000 3/42336 100.0 1.651 1.346 0.982 0.000 0.272 0.000 3/42336 110.0 1.481 1.237 0.880 0.000 0.242 0.000 3/42336 120.0 1.344 1.146 0.797 0.000 0.218 0.000 3/42336 130.0 1.231 1.068 0.729 0.000 0.198 0.000 3/42336 140.0 1.136 1.000 0.672 0.000 0.182 0.000 3/42336 150.0 1.055 0.940 0.623 0.000 0.168 0.000 3/42336 160.0 0.985 0.887 0.581 0.000 0.156 0.000 3/42336 170.0 0.924 0.840 0.545 0.000 0.146 0.000 3/42336 180.0 0.870 0.798 0.512 0.000 0.137 0.000 3/42336 190.0 0.822 0.760 0.484 0.000 0.129 0.000 3/42336 200.0 0.780 0.725 0.459 0.000 0.122 0.000 3/42336 210.0 0.741 0.693 0.436 0.000 0.116 0.000 3/42336 220.0 0.707 0.664 0.415 0.000 0.110 0.000 3/42336 230.0 0.675 0.637 0.396 0.000 0.105 0.000 3/42336 240.0 0.646 0.612 0.379 0.000 0.100 0.000 3/42336 250.0 0.620 0.589 0.364 0.000 0.096 0.000 3/42336 260.0 0.596 0.568 0.349 0.000 0.092 0.000 3/42336 270.0 0.573 0.548 0.336 0.000 0.089 0.000 3/42336 280.0 0.552 0.529 0.324 0.000 0.085 0.000 3/42336 290.0 0.533 0.512 0.312 0.000 0.082 0.000 3/42336 300.0 0.515 0.495 0.302 0.000 0.079 0.000 3/42336 310.0 0.498 0.480 0.292 0.000 0.077 0.000 3/42336 320.0 0.482 0.466 0.282 0.000 0.074 0.000 3/42336 330.0 0.468 0.452 0.274 0.000 0.072 0.000 3/42336 340.0 0.454 0.439 0.265 0.000 0.070 0.000 3/42336 350.0 0.441 0.427 0.258 0.000 0.068 0.000 3/42336 360.0 0.428 0.416 0.250 0.000 0.066 0.000 3/42336 370.0 0.416 0.405 0.244 0.000 0.064 0.000 3/42336 380.0 0.405 0.395 0.237 0.000 0.062 0.000 3/42336 390.0 0.395 0.385 0.231 0.000 0.060 0.000 3/42336 400.0 0.385 0.376 0.225 0.000 0.059 0.000 3/42336 410.0 0.376 0.367 0.220 0.000 0.057 0.000 3/42336 420.0 0.367 0.358 0.214 0.000 0.056 0.000 3/42336 430.0 0.358 0.350 0.209 0.000 0.055 0.000 3/42336 440.0 0.350 0.342 0.204 0.000 0.053 0.000 3/42336 450.0 0.342 0.335 0.200 0.000 0.052 0.000 3/42336 460.0 0.335 0.328 0.195 0.000 0.051 0.000 3/42336 470.0 0.327 0.321 0.191 0.000 0.050 0.000 3/42336 480.0 0.321 0.314 0.187 0.000 0.049 0.000 3/42336 490.0 0.314 0.308 0.183 0.000 0.048 0.000 3/42336 500.0 0.308 0.302 0.180 0.000 0.047 0.000 3/42336 510.0 0.302 0.296 0.176 0.000 0.046 0.000 3/42336 520.0 0.296 0.291 0.173 0.000 0.045 0.000 3/42336 530.0 0.290 0.285 0.169 0.000 0.044 0.000 3/42336 540.0 0.285 0.280 0.166 0.000 0.043 0.000 3/42336 550.0 0.280 0.275 0.163 0.000 0.043 0.000 3/42336 560.0 0.275 0.270 0.160 0.000 0.042 0.000 3/42336 570.0 0.270 0.266 0.157 0.000 0.041 0.000 3/42336 580.0 0.265 0.261 0.155 0.000 0.040 0.000 3/42336 590.0 0.261 0.257 0.152 0.000 0.040 0.000 3/42336 600.0 0.256 0.252 0.150 0.000 0.039 0.000 3/42336 610.0 0.252 0.248 0.147 0.000 0.038 0.000 3/42336 620.0 0.248 0.244 0.145 0.000 0.038 0.000 3/42336 630.0 0.244 0.241 0.142 0.000 0.037 0.000 3/42336 640.0 0.240 0.237 0.140 0.000 0.037 0.000 3/42336 650.0 0.236 0.233 0.138 0.000 0.036 0.000 3/42336 660.0 0.233 0.230 0.136 0.000 0.035 0.000 3/42336 670.0 0.229 0.226 0.134 0.000 0.035 0.000 3/42336 680.0 0.226 0.223 0.132 0.000 0.034 0.000 3/42336 690.0 0.223 0.220 0.130 0.000 0.034 0.000 3/42336 700.0 0.220 0.217 0.128 0.000 0.033 0.000 3/42336 710.0 0.216 0.214 0.126 0.000 0.033 0.000 3/42336 720.0 0.213 0.211 0.125 0.000 0.032 0.000 3/42336 730.0 0.210 0.208 0.123 0.000 0.032 0.000 3/42336 740.0 0.208 0.205 0.121 0.000 0.032 0.000 3/42336 750.0 0.205 0.202 0.120 0.000 0.031 0.000 3/42336 760.0 0.202 0.200 0.118 0.000 0.031 0.000 3/42336 770.0 0.200 0.197 0.116 0.000 0.030 0.000 3/42336 780.0 0.197 0.195 0.115 0.000 0.030 0.000 3/42336 790.0 0.194 0.192 0.113 0.000 0.030 0.000 3/42336 800.0 0.192 0.190 0.112 0.000 0.029 0.000 3/42336 810.0 0.190 0.188 0.111 0.000 0.029 0.000 3/42336 820.0 0.187 0.185 0.109 0.000 0.028 0.000 3/42336 830.0 0.185 0.183 0.108 0.000 0.028 0.000 3/42336 840.0 0.183 0.181 0.107 0.000 0.028 0.000 3/42336 850.0 0.181 0.179 0.105 0.000 0.027 0.000 3/42336 860.0 0.179 0.177 0.104 0.000 0.027 0.000 3/42336 870.0 0.177 0.175 0.103 0.000 0.027 0.000 3/42336 880.0 0.175 0.173 0.102 0.000 0.027 0.000 3/42336 890.0 0.173 0.171 0.101 0.000 0.026 0.000 3/42336 900.0 0.171 0.169 0.100 0.000 0.026 0.000 3/42336 910.0 0.169 0.167 0.098 0.000 0.026 0.000 3/42336 920.0 0.167 0.165 0.097 0.000 0.025 0.000 3/42336 930.0 0.165 0.164 0.096 0.000 0.025 0.000 3/42336 940.0 0.163 0.162 0.095 0.000 0.025 0.000 3/42336 950.0 0.162 0.160 0.094 0.000 0.025 0.000 3/42336 960.0 0.160 0.158 0.093 0.000 0.024 0.000 3/42336 970.0 0.158 0.157 0.092 0.000 0.024 0.000 3/42336 980.0 0.157 0.155 0.091 0.000 0.024 0.000 3/42336 990.0 0.155 0.154 0.090 0.000 0.024 0.000 3/42336 1000.0 0.154 0.152 0.090 0.000 0.023 0.000 3/42336 Thermal conductivity related properties were written into "kappa-m14146.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:53:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|