----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:04:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.533109245180551 0.000000000000000 0.000000000000000 b 0.000000000000000 5.988993619999999 0.000000000000000 c -3.619718413744498 0.000000000000000 9.806927957855073 Atomic positions (fractional): *1 Al 0.47175417758731 0.00037168051333 0.34243252528783 26.982 2 Al 0.52824582241269 0.50037168051333 0.65756747471217 26.982 3 Al 0.47175417758731 0.49962831948667 0.34243252528783 26.982 4 Al 0.52824582241269 0.99962831948667 0.65756747471217 26.982 *5 K 0.06382981407767 0.75000000000000 0.42551744051173 39.098 *6 K 0.36968731829781 0.25000000000000 0.92222491032118 39.098 *7 K 0.02357565432723 0.25000000000000 0.14853864477291 39.098 8 K 0.97642434567277 0.75000000000000 0.85146135522709 39.098 9 K 0.93617018592233 0.25000000000000 0.57448255948827 39.098 10 K 0.63031268170219 0.75000000000000 0.07777508967882 39.098 *11 As 0.69022025867812 0.75000000000000 0.52992658489737 74.922 12 As 0.30977974132188 0.25000000000000 0.47007341510263 74.922 *13 As 0.24433911946411 0.75000000000000 0.17994043620266 74.922 14 As 0.75566088053589 0.25000000000000 0.82005956379734 74.922 *15 As 0.34441988465330 0.75000000000000 0.74858594625359 74.922 16 As 0.65558011534670 0.25000000000000 0.25141405374641 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.533109245180551 0.000000000000000 0.000000000000000 b 0.000000000000000 5.988993619999999 0.000000000000000 c -3.619718413744498 0.000000000000000 9.806927957855073 Atomic positions (fractional): *1 Al 0.47175417758731 0.00037168051333 0.34243252528783 26.982 > 1 2 Al 0.52824582241269 0.50037168051333 0.65756747471217 26.982 > 2 3 Al 0.47175417758731 0.49962831948667 0.34243252528783 26.982 > 3 4 Al 0.52824582241269 0.99962831948667 0.65756747471217 26.982 > 4 *5 K 0.06382981407767 0.75000000000000 0.42551744051173 39.098 > 5 *6 K 0.36968731829781 0.25000000000000 0.92222491032118 39.098 > 6 *7 K 0.02357565432723 0.25000000000000 0.14853864477291 39.098 > 7 8 K 0.97642434567277 0.75000000000000 0.85146135522709 39.098 > 8 9 K 0.93617018592233 0.25000000000000 0.57448255948827 39.098 > 9 10 K 0.63031268170219 0.75000000000000 0.07777508967882 39.098 > 10 *11 As 0.69022025867812 0.75000000000000 0.52992658489737 74.922 > 11 12 As 0.30977974132188 0.25000000000000 0.47007341510263 74.922 > 12 *13 As 0.24433911946411 0.75000000000000 0.17994043620266 74.922 > 13 14 As 0.75566088053589 0.25000000000000 0.82005956379734 74.922 > 14 *15 As 0.34441988465330 0.75000000000000 0.74858594625359 74.922 > 15 16 As 0.65558011534670 0.25000000000000 0.25141405374641 74.922 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.066218490361102 0.000000000000000 0.000000000000000 b 0.000000000000000 11.977987239999997 0.000000000000000 c -7.239436827488996 0.000000000000000 19.613855915710147 Atomic positions (fractional): *1 Al 0.23587708879366 0.00018584025666 0.17121626264392 26.982 > 1 2 Al 0.73587708879366 0.00018584025666 0.17121626264392 26.982 > 1 3 Al 0.23587708879366 0.50018584025666 0.17121626264392 26.982 > 1 4 Al 0.73587708879366 0.50018584025666 0.17121626264392 26.982 > 1 5 Al 0.23587708879366 0.00018584025666 0.67121626264392 26.982 > 1 6 Al 0.73587708879366 0.00018584025666 0.67121626264392 26.982 > 1 7 Al 0.23587708879366 0.50018584025666 0.67121626264392 26.982 > 1 8 Al 0.73587708879366 0.50018584025666 0.67121626264392 26.982 > 1 9 Al 0.26412291120634 0.25018584025666 0.32878373735608 26.982 > 2 10 Al 0.76412291120634 0.25018584025666 0.32878373735608 26.982 > 2 11 Al 0.26412291120634 0.75018584025666 0.32878373735608 26.982 > 2 12 Al 0.76412291120634 0.75018584025666 0.32878373735608 26.982 > 2 13 Al 0.26412291120634 0.25018584025666 0.82878373735608 26.982 > 2 14 Al 0.76412291120634 0.25018584025666 0.82878373735608 26.982 > 2 15 Al 0.26412291120634 0.75018584025666 0.82878373735608 26.982 > 2 16 Al 0.76412291120634 0.75018584025666 0.82878373735608 26.982 > 2 17 Al 0.23587708879366 0.24981415974334 0.17121626264392 26.982 > 3 18 Al 0.73587708879366 0.24981415974334 0.17121626264392 26.982 > 3 19 Al 0.23587708879366 0.74981415974334 0.17121626264392 26.982 > 3 20 Al 0.73587708879366 0.74981415974334 0.17121626264392 26.982 > 3 21 Al 0.23587708879366 0.24981415974334 0.67121626264392 26.982 > 3 22 Al 0.73587708879366 0.24981415974334 0.67121626264392 26.982 > 3 23 Al 0.23587708879366 0.74981415974334 0.67121626264392 26.982 > 3 24 Al 0.73587708879366 0.74981415974334 0.67121626264392 26.982 > 3 25 Al 0.26412291120634 0.49981415974334 0.32878373735608 26.982 > 4 26 Al 0.76412291120634 0.49981415974334 0.32878373735608 26.982 > 4 27 Al 0.26412291120634 0.99981415974334 0.32878373735608 26.982 > 4 28 Al 0.76412291120634 0.99981415974334 0.32878373735608 26.982 > 4 29 Al 0.26412291120634 0.49981415974334 0.82878373735608 26.982 > 4 30 Al 0.76412291120634 0.49981415974334 0.82878373735608 26.982 > 4 31 Al 0.26412291120634 0.99981415974334 0.82878373735608 26.982 > 4 32 Al 0.76412291120634 0.99981415974334 0.82878373735608 26.982 > 4 *33 K 0.03191490703883 0.37500000000000 0.21275872025586 39.098 > 5 34 K 0.53191490703883 0.37500000000000 0.21275872025586 39.098 > 5 35 K 0.03191490703883 0.87500000000000 0.21275872025586 39.098 > 5 36 K 0.53191490703883 0.87500000000000 0.21275872025586 39.098 > 5 37 K 0.03191490703883 0.37500000000000 0.71275872025586 39.098 > 5 38 K 0.53191490703883 0.37500000000000 0.71275872025586 39.098 > 5 39 K 0.03191490703883 0.87500000000000 0.71275872025586 39.098 > 5 40 K 0.53191490703883 0.87500000000000 0.71275872025586 39.098 > 5 *41 K 0.18484365914890 0.12500000000000 0.46111245516059 39.098 > 6 42 K 0.68484365914890 0.12500000000000 0.46111245516059 39.098 > 6 43 K 0.18484365914890 0.62500000000000 0.46111245516059 39.098 > 6 44 K 0.68484365914890 0.62500000000000 0.46111245516059 39.098 > 6 45 K 0.18484365914890 0.12500000000000 0.96111245516059 39.098 > 6 46 K 0.68484365914890 0.12500000000000 0.96111245516059 39.098 > 6 47 K 0.18484365914890 0.62500000000000 0.96111245516059 39.098 > 6 48 K 0.68484365914890 0.62500000000000 0.96111245516059 39.098 > 6 *49 K 0.01178782716361 0.12500000000000 0.07426932238645 39.098 > 7 50 K 0.51178782716361 0.12500000000000 0.07426932238645 39.098 > 7 51 K 0.01178782716361 0.62500000000000 0.07426932238645 39.098 > 7 52 K 0.51178782716361 0.62500000000000 0.07426932238645 39.098 > 7 53 K 0.01178782716361 0.12500000000000 0.57426932238645 39.098 > 7 54 K 0.51178782716361 0.12500000000000 0.57426932238645 39.098 > 7 55 K 0.01178782716361 0.62500000000000 0.57426932238645 39.098 > 7 56 K 0.51178782716361 0.62500000000000 0.57426932238645 39.098 > 7 57 K 0.48821217283639 0.37500000000000 0.42573067761355 39.098 > 8 58 K 0.98821217283639 0.37500000000000 0.42573067761355 39.098 > 8 59 K 0.48821217283639 0.87500000000000 0.42573067761355 39.098 > 8 60 K 0.98821217283639 0.87500000000000 0.42573067761355 39.098 > 8 61 K 0.48821217283639 0.37500000000000 0.92573067761355 39.098 > 8 62 K 0.98821217283639 0.37500000000000 0.92573067761355 39.098 > 8 63 K 0.48821217283639 0.87500000000000 0.92573067761355 39.098 > 8 64 K 0.98821217283639 0.87500000000000 0.92573067761355 39.098 > 8 65 K 0.46808509296117 0.12500000000000 0.28724127974414 39.098 > 9 66 K 0.96808509296117 0.12500000000000 0.28724127974414 39.098 > 9 67 K 0.46808509296117 0.62500000000000 0.28724127974414 39.098 > 9 68 K 0.96808509296117 0.62500000000000 0.28724127974414 39.098 > 9 69 K 0.46808509296117 0.12500000000000 0.78724127974414 39.098 > 9 70 K 0.96808509296117 0.12500000000000 0.78724127974414 39.098 > 9 71 K 0.46808509296117 0.62500000000000 0.78724127974414 39.098 > 9 72 K 0.96808509296117 0.62500000000000 0.78724127974414 39.098 > 9 73 K 0.31515634085110 0.37500000000000 0.03888754483941 39.098 > 10 74 K 0.81515634085110 0.37500000000000 0.03888754483941 39.098 > 10 75 K 0.31515634085110 0.87500000000000 0.03888754483941 39.098 > 10 76 K 0.81515634085110 0.87500000000000 0.03888754483941 39.098 > 10 77 K 0.31515634085110 0.37500000000000 0.53888754483941 39.098 > 10 78 K 0.81515634085110 0.37500000000000 0.53888754483941 39.098 > 10 79 K 0.31515634085110 0.87500000000000 0.53888754483941 39.098 > 10 80 K 0.81515634085110 0.87500000000000 0.53888754483941 39.098 > 10 *81 As 0.34511012933906 0.37500000000000 0.26496329244869 74.922 > 11 82 As 0.84511012933906 0.37500000000000 0.26496329244869 74.922 > 11 83 As 0.34511012933906 0.87500000000000 0.26496329244869 74.922 > 11 84 As 0.84511012933906 0.87500000000000 0.26496329244869 74.922 > 11 85 As 0.34511012933906 0.37500000000000 0.76496329244869 74.922 > 11 86 As 0.84511012933906 0.37500000000000 0.76496329244869 74.922 > 11 87 As 0.34511012933906 0.87500000000000 0.76496329244869 74.922 > 11 88 As 0.84511012933906 0.87500000000000 0.76496329244869 74.922 > 11 89 As 0.15488987066094 0.12500000000000 0.23503670755131 74.922 > 12 90 As 0.65488987066094 0.12500000000000 0.23503670755131 74.922 > 12 91 As 0.15488987066094 0.62500000000000 0.23503670755131 74.922 > 12 92 As 0.65488987066094 0.62500000000000 0.23503670755131 74.922 > 12 93 As 0.15488987066094 0.12500000000000 0.73503670755131 74.922 > 12 94 As 0.65488987066094 0.12500000000000 0.73503670755131 74.922 > 12 95 As 0.15488987066094 0.62500000000000 0.73503670755131 74.922 > 12 96 As 0.65488987066094 0.62500000000000 0.73503670755131 74.922 > 12 *97 As 0.12216955973206 0.37500000000000 0.08997021810133 74.922 > 13 98 As 0.62216955973206 0.37500000000000 0.08997021810133 74.922 > 13 99 As 0.12216955973206 0.87500000000000 0.08997021810133 74.922 > 13 100 As 0.62216955973206 0.87500000000000 0.08997021810133 74.922 > 13 101 As 0.12216955973206 0.37500000000000 0.58997021810133 74.922 > 13 102 As 0.62216955973206 0.37500000000000 0.58997021810133 74.922 > 13 103 As 0.12216955973206 0.87500000000000 0.58997021810133 74.922 > 13 104 As 0.62216955973206 0.87500000000000 0.58997021810133 74.922 > 13 105 As 0.37783044026794 0.12500000000000 0.41002978189867 74.922 > 14 106 As 0.87783044026794 0.12500000000000 0.41002978189867 74.922 > 14 107 As 0.37783044026794 0.62500000000000 0.41002978189867 74.922 > 14 108 As 0.87783044026794 0.62500000000000 0.41002978189867 74.922 > 14 109 As 0.37783044026794 0.12500000000000 0.91002978189867 74.922 > 14 110 As 0.87783044026794 0.12500000000000 0.91002978189867 74.922 > 14 111 As 0.37783044026794 0.62500000000000 0.91002978189867 74.922 > 14 112 As 0.87783044026794 0.62500000000000 0.91002978189867 74.922 > 14 *113 As 0.17220994232665 0.37500000000000 0.37429297312680 74.922 > 15 114 As 0.67220994232665 0.37500000000000 0.37429297312680 74.922 > 15 115 As 0.17220994232665 0.87500000000000 0.37429297312680 74.922 > 15 116 As 0.67220994232665 0.87500000000000 0.37429297312680 74.922 > 15 117 As 0.17220994232665 0.37500000000000 0.87429297312680 74.922 > 15 118 As 0.67220994232665 0.37500000000000 0.87429297312680 74.922 > 15 119 As 0.17220994232665 0.87500000000000 0.87429297312680 74.922 > 15 120 As 0.67220994232665 0.87500000000000 0.87429297312680 74.922 > 15 121 As 0.32779005767335 0.12500000000000 0.12570702687320 74.922 > 16 122 As 0.82779005767335 0.12500000000000 0.12570702687320 74.922 > 16 123 As 0.32779005767335 0.62500000000000 0.12570702687320 74.922 > 16 124 As 0.82779005767335 0.62500000000000 0.12570702687320 74.922 > 16 125 As 0.32779005767335 0.12500000000000 0.62570702687320 74.922 > 16 126 As 0.82779005767335 0.12500000000000 0.62570702687320 74.922 > 16 127 As 0.32779005767335 0.62500000000000 0.62570702687320 74.922 > 16 128 As 0.82779005767335 0.62500000000000 0.62570702687320 74.922 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9673549 0.0000000 -0.1892343 0.0000000 8.6094120 0.0000000 -0.1892169 0.0000000 6.9280409 -------------------------- Born effective charges -------------------------- 1 Al 0.6396265 0.6995776 -0.1743420 0.3018096 2.9470495 0.0320554 -0.1250051 0.2674770 1.3912879 2 Al 0.6396265 -0.6995776 -0.1743420 -0.3018096 2.9470495 -0.0320554 -0.1250051 -0.2674770 1.3912879 3 Al 0.6396265 -0.6995776 -0.1743420 -0.3018096 2.9470495 -0.0320554 -0.1250051 -0.2674770 1.3912879 4 Al 0.6396265 0.6995776 -0.1743420 0.3018096 2.9470495 0.0320554 -0.1250051 0.2674770 1.3912879 5 K 1.6274395 0.0000000 0.1887835 0.0000000 1.2313415 0.0000000 0.0711976 0.0000000 0.4918398 6 K 1.0100198 0.0000000 -0.4153111 0.0000000 1.2657905 0.0000000 -0.2886086 0.0000000 1.7412071 7 K 1.3652302 0.0000000 0.2924028 0.0000000 0.8568995 0.0000000 0.2115910 0.0000000 1.4122843 8 K 1.3652302 0.0000000 0.2924028 0.0000000 0.8568995 0.0000000 0.2115910 0.0000000 1.4122843 9 K 1.6274395 0.0000000 0.1887835 0.0000000 1.2313415 0.0000000 0.0711976 0.0000000 0.4918398 10 K 1.0100198 0.0000000 -0.4153111 0.0000000 1.2657905 0.0000000 -0.2886086 0.0000000 1.7412071 11 As -1.3992895 0.0000000 0.1558664 0.0000000 -2.9961446 0.0000000 0.1915386 0.0000000 -2.1784365 12 As -1.3992895 0.0000000 0.1558664 0.0000000 -2.9961446 0.0000000 0.1915386 0.0000000 -2.1784365 13 As -1.6442622 0.0000000 -0.4967776 0.0000000 -3.0789319 0.0000000 -0.7488114 0.0000000 -2.5803582 14 As -1.6442622 0.0000000 -0.4967776 0.0000000 -3.0789319 0.0000000 -0.7488114 0.0000000 -2.5803582 15 As -2.2383907 0.0000000 0.6237201 0.0000000 -3.1730541 0.0000000 0.8131030 0.0000000 -1.6691123 16 As -2.2383907 0.0000000 0.6237201 0.0000000 -3.1730541 0.0000000 0.8131030 0.0000000 -1.6691123 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2520 Number of blocks in projector: 2520 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: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 656 / 656 (1) 147 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 368 Use standard eigh solver. Tree of FC basis block matrices: - (2520, 2482), data: False |-- (368, 366), data: True |-- (368, 366), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (656, 643), data: False |-- (656, 9), data: (656, 22) @ (22, 9) |-- (156, 147), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.865 Solver_block: 200 / 480 - Time: 0.757 Solver_block: 300 / 480 - Time: 1.191 Solver_block: 400 / 480 - Time: 1.301 Solver_block: 480 / 480 - Time: 0.682 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.326 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2520 Number of blocks in projector: 2520 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: 656 Use submatrix version of eigh solver. (1) Block: 500 / 656 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 656 / 656 (1) 147 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 376 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 368 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 368 Use standard eigh solver. Tree of FC basis block matrices: - (2520, 2482), data: False |-- (368, 366), data: True |-- (368, 366), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (376, 369), data: True |-- (656, 643), data: False |-- (656, 9), data: (656, 22) @ (22, 9) |-- (156, 147), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:05:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:05:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.533109245180551 0.000000000000000 0.000000000000000 b 0.000000000000000 5.988993619999999 0.000000000000000 c -3.619718413744498 0.000000000000000 9.806927957855073 Atomic positions (fractional): 1 Al 0.47175417758731 0.00037168051333 0.34243252528783 26.982 2 Al 0.52824582241269 0.50037168051333 0.65756747471217 26.982 3 Al 0.47175417758731 0.49962831948667 0.34243252528783 26.982 4 Al 0.52824582241269 0.99962831948667 0.65756747471217 26.982 5 K 0.06382981407767 0.75000000000000 0.42551744051173 39.098 6 K 0.36968731829781 0.25000000000000 0.92222491032118 39.098 7 K 0.02357565432723 0.25000000000000 0.14853864477291 39.098 8 K 0.97642434567277 0.75000000000000 0.85146135522709 39.098 9 K 0.93617018592233 0.25000000000000 0.57448255948827 39.098 10 K 0.63031268170219 0.75000000000000 0.07777508967882 39.098 11 As 0.69022025867812 0.75000000000000 0.52992658489737 74.922 12 As 0.30977974132188 0.25000000000000 0.47007341510263 74.922 13 As 0.24433911946411 0.75000000000000 0.17994043620266 74.922 14 As 0.75566088053589 0.25000000000000 0.82005956379734 74.922 15 As 0.34441988465330 0.75000000000000 0.74858594625359 74.922 16 As 0.65558011534670 0.25000000000000 0.25141405374641 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.066218490361102 0.000000000000000 0.000000000000000 b 0.000000000000000 11.977987239999997 0.000000000000000 c -7.239436827488996 0.000000000000000 19.613855915710147 Atomic positions (fractional): 1 Al 0.23587708879366 0.00018584025666 0.17121626264392 26.982 > 1 2 Al 0.73587708879366 0.00018584025666 0.17121626264392 26.982 > 1 3 Al 0.23587708879366 0.50018584025666 0.17121626264392 26.982 > 1 4 Al 0.73587708879366 0.50018584025666 0.17121626264392 26.982 > 1 5 Al 0.23587708879366 0.00018584025666 0.67121626264392 26.982 > 1 6 Al 0.73587708879366 0.00018584025666 0.67121626264392 26.982 > 1 7 Al 0.23587708879366 0.50018584025666 0.67121626264392 26.982 > 1 8 Al 0.73587708879366 0.50018584025666 0.67121626264392 26.982 > 1 9 Al 0.26412291120634 0.25018584025666 0.32878373735608 26.982 > 9 10 Al 0.76412291120634 0.25018584025666 0.32878373735608 26.982 > 9 11 Al 0.26412291120634 0.75018584025666 0.32878373735608 26.982 > 9 12 Al 0.76412291120634 0.75018584025666 0.32878373735608 26.982 > 9 13 Al 0.26412291120634 0.25018584025666 0.82878373735608 26.982 > 9 14 Al 0.76412291120634 0.25018584025666 0.82878373735608 26.982 > 9 15 Al 0.26412291120634 0.75018584025666 0.82878373735608 26.982 > 9 16 Al 0.76412291120634 0.75018584025666 0.82878373735608 26.982 > 9 17 Al 0.23587708879366 0.24981415974334 0.17121626264392 26.982 > 17 18 Al 0.73587708879366 0.24981415974334 0.17121626264392 26.982 > 17 19 Al 0.23587708879366 0.74981415974334 0.17121626264392 26.982 > 17 20 Al 0.73587708879366 0.74981415974334 0.17121626264392 26.982 > 17 21 Al 0.23587708879366 0.24981415974334 0.67121626264392 26.982 > 17 22 Al 0.73587708879366 0.24981415974334 0.67121626264392 26.982 > 17 23 Al 0.23587708879366 0.74981415974334 0.67121626264392 26.982 > 17 24 Al 0.73587708879366 0.74981415974334 0.67121626264392 26.982 > 17 25 Al 0.26412291120634 0.49981415974334 0.32878373735608 26.982 > 25 26 Al 0.76412291120634 0.49981415974334 0.32878373735608 26.982 > 25 27 Al 0.26412291120634 0.99981415974334 0.32878373735608 26.982 > 25 28 Al 0.76412291120634 0.99981415974334 0.32878373735608 26.982 > 25 29 Al 0.26412291120634 0.49981415974334 0.82878373735608 26.982 > 25 30 Al 0.76412291120634 0.49981415974334 0.82878373735608 26.982 > 25 31 Al 0.26412291120634 0.99981415974334 0.82878373735608 26.982 > 25 32 Al 0.76412291120634 0.99981415974334 0.82878373735608 26.982 > 25 33 K 0.03191490703883 0.37500000000000 0.21275872025586 39.098 > 33 34 K 0.53191490703883 0.37500000000000 0.21275872025586 39.098 > 33 35 K 0.03191490703883 0.87500000000000 0.21275872025586 39.098 > 33 36 K 0.53191490703883 0.87500000000000 0.21275872025586 39.098 > 33 37 K 0.03191490703883 0.37500000000000 0.71275872025586 39.098 > 33 38 K 0.53191490703883 0.37500000000000 0.71275872025586 39.098 > 33 39 K 0.03191490703883 0.87500000000000 0.71275872025586 39.098 > 33 40 K 0.53191490703883 0.87500000000000 0.71275872025586 39.098 > 33 41 K 0.18484365914890 0.12500000000000 0.46111245516059 39.098 > 41 42 K 0.68484365914890 0.12500000000000 0.46111245516059 39.098 > 41 43 K 0.18484365914890 0.62500000000000 0.46111245516059 39.098 > 41 44 K 0.68484365914890 0.62500000000000 0.46111245516059 39.098 > 41 45 K 0.18484365914890 0.12500000000000 0.96111245516059 39.098 > 41 46 K 0.68484365914890 0.12500000000000 0.96111245516059 39.098 > 41 47 K 0.18484365914890 0.62500000000000 0.96111245516059 39.098 > 41 48 K 0.68484365914890 0.62500000000000 0.96111245516059 39.098 > 41 49 K 0.01178782716361 0.12500000000000 0.07426932238645 39.098 > 49 50 K 0.51178782716361 0.12500000000000 0.07426932238645 39.098 > 49 51 K 0.01178782716361 0.62500000000000 0.07426932238645 39.098 > 49 52 K 0.51178782716361 0.62500000000000 0.07426932238645 39.098 > 49 53 K 0.01178782716361 0.12500000000000 0.57426932238645 39.098 > 49 54 K 0.51178782716361 0.12500000000000 0.57426932238645 39.098 > 49 55 K 0.01178782716361 0.62500000000000 0.57426932238645 39.098 > 49 56 K 0.51178782716361 0.62500000000000 0.57426932238645 39.098 > 49 57 K 0.48821217283639 0.37500000000000 0.42573067761355 39.098 > 57 58 K 0.98821217283639 0.37500000000000 0.42573067761355 39.098 > 57 59 K 0.48821217283639 0.87500000000000 0.42573067761355 39.098 > 57 60 K 0.98821217283639 0.87500000000000 0.42573067761355 39.098 > 57 61 K 0.48821217283639 0.37500000000000 0.92573067761355 39.098 > 57 62 K 0.98821217283639 0.37500000000000 0.92573067761355 39.098 > 57 63 K 0.48821217283639 0.87500000000000 0.92573067761355 39.098 > 57 64 K 0.98821217283639 0.87500000000000 0.92573067761355 39.098 > 57 65 K 0.46808509296117 0.12500000000000 0.28724127974414 39.098 > 65 66 K 0.96808509296117 0.12500000000000 0.28724127974414 39.098 > 65 67 K 0.46808509296117 0.62500000000000 0.28724127974414 39.098 > 65 68 K 0.96808509296117 0.62500000000000 0.28724127974414 39.098 > 65 69 K 0.46808509296117 0.12500000000000 0.78724127974414 39.098 > 65 70 K 0.96808509296117 0.12500000000000 0.78724127974414 39.098 > 65 71 K 0.46808509296117 0.62500000000000 0.78724127974414 39.098 > 65 72 K 0.96808509296117 0.62500000000000 0.78724127974414 39.098 > 65 73 K 0.31515634085110 0.37500000000000 0.03888754483941 39.098 > 73 74 K 0.81515634085110 0.37500000000000 0.03888754483941 39.098 > 73 75 K 0.31515634085110 0.87500000000000 0.03888754483941 39.098 > 73 76 K 0.81515634085110 0.87500000000000 0.03888754483941 39.098 > 73 77 K 0.31515634085110 0.37500000000000 0.53888754483941 39.098 > 73 78 K 0.81515634085110 0.37500000000000 0.53888754483941 39.098 > 73 79 K 0.31515634085110 0.87500000000000 0.53888754483941 39.098 > 73 80 K 0.81515634085110 0.87500000000000 0.53888754483941 39.098 > 73 81 As 0.34511012933906 0.37500000000000 0.26496329244869 74.922 > 81 82 As 0.84511012933906 0.37500000000000 0.26496329244869 74.922 > 81 83 As 0.34511012933906 0.87500000000000 0.26496329244869 74.922 > 81 84 As 0.84511012933906 0.87500000000000 0.26496329244869 74.922 > 81 85 As 0.34511012933906 0.37500000000000 0.76496329244869 74.922 > 81 86 As 0.84511012933906 0.37500000000000 0.76496329244869 74.922 > 81 87 As 0.34511012933906 0.87500000000000 0.76496329244869 74.922 > 81 88 As 0.84511012933906 0.87500000000000 0.76496329244869 74.922 > 81 89 As 0.15488987066094 0.12500000000000 0.23503670755131 74.922 > 89 90 As 0.65488987066094 0.12500000000000 0.23503670755131 74.922 > 89 91 As 0.15488987066094 0.62500000000000 0.23503670755131 74.922 > 89 92 As 0.65488987066094 0.62500000000000 0.23503670755131 74.922 > 89 93 As 0.15488987066094 0.12500000000000 0.73503670755131 74.922 > 89 94 As 0.65488987066094 0.12500000000000 0.73503670755131 74.922 > 89 95 As 0.15488987066094 0.62500000000000 0.73503670755131 74.922 > 89 96 As 0.65488987066094 0.62500000000000 0.73503670755131 74.922 > 89 97 As 0.12216955973206 0.37500000000000 0.08997021810133 74.922 > 97 98 As 0.62216955973206 0.37500000000000 0.08997021810133 74.922 > 97 99 As 0.12216955973206 0.87500000000000 0.08997021810133 74.922 > 97 100 As 0.62216955973206 0.87500000000000 0.08997021810133 74.922 > 97 101 As 0.12216955973206 0.37500000000000 0.58997021810133 74.922 > 97 102 As 0.62216955973206 0.37500000000000 0.58997021810133 74.922 > 97 103 As 0.12216955973206 0.87500000000000 0.58997021810133 74.922 > 97 104 As 0.62216955973206 0.87500000000000 0.58997021810133 74.922 > 97 105 As 0.37783044026794 0.12500000000000 0.41002978189867 74.922 > 105 106 As 0.87783044026794 0.12500000000000 0.41002978189867 74.922 > 105 107 As 0.37783044026794 0.62500000000000 0.41002978189867 74.922 > 105 108 As 0.87783044026794 0.62500000000000 0.41002978189867 74.922 > 105 109 As 0.37783044026794 0.12500000000000 0.91002978189867 74.922 > 105 110 As 0.87783044026794 0.12500000000000 0.91002978189867 74.922 > 105 111 As 0.37783044026794 0.62500000000000 0.91002978189867 74.922 > 105 112 As 0.87783044026794 0.62500000000000 0.91002978189867 74.922 > 105 113 As 0.17220994232665 0.37500000000000 0.37429297312680 74.922 > 113 114 As 0.67220994232665 0.37500000000000 0.37429297312680 74.922 > 113 115 As 0.17220994232665 0.87500000000000 0.37429297312680 74.922 > 113 116 As 0.67220994232665 0.87500000000000 0.37429297312680 74.922 > 113 117 As 0.17220994232665 0.37500000000000 0.87429297312680 74.922 > 113 118 As 0.67220994232665 0.37500000000000 0.87429297312680 74.922 > 113 119 As 0.17220994232665 0.87500000000000 0.87429297312680 74.922 > 113 120 As 0.67220994232665 0.87500000000000 0.87429297312680 74.922 > 113 121 As 0.32779005767335 0.12500000000000 0.12570702687320 74.922 > 121 122 As 0.82779005767335 0.12500000000000 0.12570702687320 74.922 > 121 123 As 0.32779005767335 0.62500000000000 0.12570702687320 74.922 > 121 124 As 0.82779005767335 0.62500000000000 0.12570702687320 74.922 > 121 125 As 0.32779005767335 0.12500000000000 0.62570702687320 74.922 > 121 126 As 0.82779005767335 0.12500000000000 0.62570702687320 74.922 > 121 127 As 0.32779005767335 0.62500000000000 0.62570702687320 74.922 > 121 128 As 0.82779005767335 0.62500000000000 0.62570702687320 74.922 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9673549 0.0000000 -0.1892343 0.0000000 8.6094120 0.0000000 -0.1892169 0.0000000 6.9280409 -------------------------- Born effective charges -------------------------- 1 Al 0.6396265 0.6995776 -0.1743420 0.3018096 2.9470495 0.0320554 -0.1250051 0.2674770 1.3912879 2 Al 0.6396265 -0.6995776 -0.1743420 -0.3018096 2.9470495 -0.0320554 -0.1250051 -0.2674770 1.3912879 3 Al 0.6396265 -0.6995776 -0.1743420 -0.3018096 2.9470495 -0.0320554 -0.1250051 -0.2674770 1.3912879 4 Al 0.6396265 0.6995776 -0.1743420 0.3018096 2.9470495 0.0320554 -0.1250051 0.2674770 1.3912879 5 K 1.6274395 0.0000000 0.1887835 0.0000000 1.2313415 0.0000000 0.0711976 0.0000000 0.4918398 6 K 1.0100198 0.0000000 -0.4153111 0.0000000 1.2657905 0.0000000 -0.2886086 0.0000000 1.7412071 7 K 1.3652302 0.0000000 0.2924028 0.0000000 0.8568995 0.0000000 0.2115910 0.0000000 1.4122843 8 K 1.3652302 0.0000000 0.2924028 0.0000000 0.8568995 0.0000000 0.2115910 0.0000000 1.4122843 9 K 1.6274395 0.0000000 0.1887835 0.0000000 1.2313415 0.0000000 0.0711976 0.0000000 0.4918398 10 K 1.0100198 0.0000000 -0.4153111 0.0000000 1.2657905 0.0000000 -0.2886086 0.0000000 1.7412071 11 As -1.3992895 0.0000000 0.1558664 0.0000000 -2.9961446 0.0000000 0.1915386 0.0000000 -2.1784365 12 As -1.3992895 0.0000000 0.1558664 0.0000000 -2.9961446 0.0000000 0.1915386 0.0000000 -2.1784365 13 As -1.6442622 0.0000000 -0.4967776 0.0000000 -3.0789319 0.0000000 -0.7488114 0.0000000 -2.5803582 14 As -1.6442622 0.0000000 -0.4967776 0.0000000 -3.0789319 0.0000000 -0.7488114 0.0000000 -2.5803582 15 As -2.2383907 0.0000000 0.6237201 0.0000000 -3.1730541 0.0000000 0.8131030 0.0000000 -1.6691123 16 As -2.2383907 0.0000000 0.6237201 0.0000000 -3.1730541 0.0000000 0.8131030 0.0000000 -1.6691123 ---------------------------------------------------------------------------- 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 41, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yxy) 0.00000003 (yxy) 0.00000003 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:06:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:06:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.533109245180551 0.000000000000000 0.000000000000000 b 0.000000000000000 5.988993619999999 0.000000000000000 c -3.619718413744498 0.000000000000000 9.806927957855073 Atomic positions (fractional): 1 Al 0.47175417758731 0.00037168051333 0.34243252528783 26.982 2 Al 0.52824582241269 0.50037168051333 0.65756747471217 26.982 3 Al 0.47175417758731 0.49962831948667 0.34243252528783 26.982 4 Al 0.52824582241269 0.99962831948667 0.65756747471217 26.982 5 K 0.06382981407767 0.75000000000000 0.42551744051173 39.098 6 K 0.36968731829781 0.25000000000000 0.92222491032118 39.098 7 K 0.02357565432723 0.25000000000000 0.14853864477291 39.098 8 K 0.97642434567277 0.75000000000000 0.85146135522709 39.098 9 K 0.93617018592233 0.25000000000000 0.57448255948827 39.098 10 K 0.63031268170219 0.75000000000000 0.07777508967882 39.098 11 As 0.69022025867812 0.75000000000000 0.52992658489737 74.922 12 As 0.30977974132188 0.25000000000000 0.47007341510263 74.922 13 As 0.24433911946411 0.75000000000000 0.17994043620266 74.922 14 As 0.75566088053589 0.25000000000000 0.82005956379734 74.922 15 As 0.34441988465330 0.75000000000000 0.74858594625359 74.922 16 As 0.65558011534670 0.25000000000000 0.25141405374641 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.066218490361102 0.000000000000000 0.000000000000000 b 0.000000000000000 11.977987239999997 0.000000000000000 c -7.239436827488996 0.000000000000000 19.613855915710147 Atomic positions (fractional): 1 Al 0.23587708879366 0.00018584025666 0.17121626264392 26.982 > 1 2 Al 0.73587708879366 0.00018584025666 0.17121626264392 26.982 > 1 3 Al 0.23587708879366 0.50018584025666 0.17121626264392 26.982 > 1 4 Al 0.73587708879366 0.50018584025666 0.17121626264392 26.982 > 1 5 Al 0.23587708879366 0.00018584025666 0.67121626264392 26.982 > 1 6 Al 0.73587708879366 0.00018584025666 0.67121626264392 26.982 > 1 7 Al 0.23587708879366 0.50018584025666 0.67121626264392 26.982 > 1 8 Al 0.73587708879366 0.50018584025666 0.67121626264392 26.982 > 1 9 Al 0.26412291120634 0.25018584025666 0.32878373735608 26.982 > 9 10 Al 0.76412291120634 0.25018584025666 0.32878373735608 26.982 > 9 11 Al 0.26412291120634 0.75018584025666 0.32878373735608 26.982 > 9 12 Al 0.76412291120634 0.75018584025666 0.32878373735608 26.982 > 9 13 Al 0.26412291120634 0.25018584025666 0.82878373735608 26.982 > 9 14 Al 0.76412291120634 0.25018584025666 0.82878373735608 26.982 > 9 15 Al 0.26412291120634 0.75018584025666 0.82878373735608 26.982 > 9 16 Al 0.76412291120634 0.75018584025666 0.82878373735608 26.982 > 9 17 Al 0.23587708879366 0.24981415974334 0.17121626264392 26.982 > 17 18 Al 0.73587708879366 0.24981415974334 0.17121626264392 26.982 > 17 19 Al 0.23587708879366 0.74981415974334 0.17121626264392 26.982 > 17 20 Al 0.73587708879366 0.74981415974334 0.17121626264392 26.982 > 17 21 Al 0.23587708879366 0.24981415974334 0.67121626264392 26.982 > 17 22 Al 0.73587708879366 0.24981415974334 0.67121626264392 26.982 > 17 23 Al 0.23587708879366 0.74981415974334 0.67121626264392 26.982 > 17 24 Al 0.73587708879366 0.74981415974334 0.67121626264392 26.982 > 17 25 Al 0.26412291120634 0.49981415974334 0.32878373735608 26.982 > 25 26 Al 0.76412291120634 0.49981415974334 0.32878373735608 26.982 > 25 27 Al 0.26412291120634 0.99981415974334 0.32878373735608 26.982 > 25 28 Al 0.76412291120634 0.99981415974334 0.32878373735608 26.982 > 25 29 Al 0.26412291120634 0.49981415974334 0.82878373735608 26.982 > 25 30 Al 0.76412291120634 0.49981415974334 0.82878373735608 26.982 > 25 31 Al 0.26412291120634 0.99981415974334 0.82878373735608 26.982 > 25 32 Al 0.76412291120634 0.99981415974334 0.82878373735608 26.982 > 25 33 K 0.03191490703883 0.37500000000000 0.21275872025586 39.098 > 33 34 K 0.53191490703883 0.37500000000000 0.21275872025586 39.098 > 33 35 K 0.03191490703883 0.87500000000000 0.21275872025586 39.098 > 33 36 K 0.53191490703883 0.87500000000000 0.21275872025586 39.098 > 33 37 K 0.03191490703883 0.37500000000000 0.71275872025586 39.098 > 33 38 K 0.53191490703883 0.37500000000000 0.71275872025586 39.098 > 33 39 K 0.03191490703883 0.87500000000000 0.71275872025586 39.098 > 33 40 K 0.53191490703883 0.87500000000000 0.71275872025586 39.098 > 33 41 K 0.18484365914890 0.12500000000000 0.46111245516059 39.098 > 41 42 K 0.68484365914890 0.12500000000000 0.46111245516059 39.098 > 41 43 K 0.18484365914890 0.62500000000000 0.46111245516059 39.098 > 41 44 K 0.68484365914890 0.62500000000000 0.46111245516059 39.098 > 41 45 K 0.18484365914890 0.12500000000000 0.96111245516059 39.098 > 41 46 K 0.68484365914890 0.12500000000000 0.96111245516059 39.098 > 41 47 K 0.18484365914890 0.62500000000000 0.96111245516059 39.098 > 41 48 K 0.68484365914890 0.62500000000000 0.96111245516059 39.098 > 41 49 K 0.01178782716361 0.12500000000000 0.07426932238645 39.098 > 49 50 K 0.51178782716361 0.12500000000000 0.07426932238645 39.098 > 49 51 K 0.01178782716361 0.62500000000000 0.07426932238645 39.098 > 49 52 K 0.51178782716361 0.62500000000000 0.07426932238645 39.098 > 49 53 K 0.01178782716361 0.12500000000000 0.57426932238645 39.098 > 49 54 K 0.51178782716361 0.12500000000000 0.57426932238645 39.098 > 49 55 K 0.01178782716361 0.62500000000000 0.57426932238645 39.098 > 49 56 K 0.51178782716361 0.62500000000000 0.57426932238645 39.098 > 49 57 K 0.48821217283639 0.37500000000000 0.42573067761355 39.098 > 57 58 K 0.98821217283639 0.37500000000000 0.42573067761355 39.098 > 57 59 K 0.48821217283639 0.87500000000000 0.42573067761355 39.098 > 57 60 K 0.98821217283639 0.87500000000000 0.42573067761355 39.098 > 57 61 K 0.48821217283639 0.37500000000000 0.92573067761355 39.098 > 57 62 K 0.98821217283639 0.37500000000000 0.92573067761355 39.098 > 57 63 K 0.48821217283639 0.87500000000000 0.92573067761355 39.098 > 57 64 K 0.98821217283639 0.87500000000000 0.92573067761355 39.098 > 57 65 K 0.46808509296117 0.12500000000000 0.28724127974414 39.098 > 65 66 K 0.96808509296117 0.12500000000000 0.28724127974414 39.098 > 65 67 K 0.46808509296117 0.62500000000000 0.28724127974414 39.098 > 65 68 K 0.96808509296117 0.62500000000000 0.28724127974414 39.098 > 65 69 K 0.46808509296117 0.12500000000000 0.78724127974414 39.098 > 65 70 K 0.96808509296117 0.12500000000000 0.78724127974414 39.098 > 65 71 K 0.46808509296117 0.62500000000000 0.78724127974414 39.098 > 65 72 K 0.96808509296117 0.62500000000000 0.78724127974414 39.098 > 65 73 K 0.31515634085110 0.37500000000000 0.03888754483941 39.098 > 73 74 K 0.81515634085110 0.37500000000000 0.03888754483941 39.098 > 73 75 K 0.31515634085110 0.87500000000000 0.03888754483941 39.098 > 73 76 K 0.81515634085110 0.87500000000000 0.03888754483941 39.098 > 73 77 K 0.31515634085110 0.37500000000000 0.53888754483941 39.098 > 73 78 K 0.81515634085110 0.37500000000000 0.53888754483941 39.098 > 73 79 K 0.31515634085110 0.87500000000000 0.53888754483941 39.098 > 73 80 K 0.81515634085110 0.87500000000000 0.53888754483941 39.098 > 73 81 As 0.34511012933906 0.37500000000000 0.26496329244869 74.922 > 81 82 As 0.84511012933906 0.37500000000000 0.26496329244869 74.922 > 81 83 As 0.34511012933906 0.87500000000000 0.26496329244869 74.922 > 81 84 As 0.84511012933906 0.87500000000000 0.26496329244869 74.922 > 81 85 As 0.34511012933906 0.37500000000000 0.76496329244869 74.922 > 81 86 As 0.84511012933906 0.37500000000000 0.76496329244869 74.922 > 81 87 As 0.34511012933906 0.87500000000000 0.76496329244869 74.922 > 81 88 As 0.84511012933906 0.87500000000000 0.76496329244869 74.922 > 81 89 As 0.15488987066094 0.12500000000000 0.23503670755131 74.922 > 89 90 As 0.65488987066094 0.12500000000000 0.23503670755131 74.922 > 89 91 As 0.15488987066094 0.62500000000000 0.23503670755131 74.922 > 89 92 As 0.65488987066094 0.62500000000000 0.23503670755131 74.922 > 89 93 As 0.15488987066094 0.12500000000000 0.73503670755131 74.922 > 89 94 As 0.65488987066094 0.12500000000000 0.73503670755131 74.922 > 89 95 As 0.15488987066094 0.62500000000000 0.73503670755131 74.922 > 89 96 As 0.65488987066094 0.62500000000000 0.73503670755131 74.922 > 89 97 As 0.12216955973206 0.37500000000000 0.08997021810133 74.922 > 97 98 As 0.62216955973206 0.37500000000000 0.08997021810133 74.922 > 97 99 As 0.12216955973206 0.87500000000000 0.08997021810133 74.922 > 97 100 As 0.62216955973206 0.87500000000000 0.08997021810133 74.922 > 97 101 As 0.12216955973206 0.37500000000000 0.58997021810133 74.922 > 97 102 As 0.62216955973206 0.37500000000000 0.58997021810133 74.922 > 97 103 As 0.12216955973206 0.87500000000000 0.58997021810133 74.922 > 97 104 As 0.62216955973206 0.87500000000000 0.58997021810133 74.922 > 97 105 As 0.37783044026794 0.12500000000000 0.41002978189867 74.922 > 105 106 As 0.87783044026794 0.12500000000000 0.41002978189867 74.922 > 105 107 As 0.37783044026794 0.62500000000000 0.41002978189867 74.922 > 105 108 As 0.87783044026794 0.62500000000000 0.41002978189867 74.922 > 105 109 As 0.37783044026794 0.12500000000000 0.91002978189867 74.922 > 105 110 As 0.87783044026794 0.12500000000000 0.91002978189867 74.922 > 105 111 As 0.37783044026794 0.62500000000000 0.91002978189867 74.922 > 105 112 As 0.87783044026794 0.62500000000000 0.91002978189867 74.922 > 105 113 As 0.17220994232665 0.37500000000000 0.37429297312680 74.922 > 113 114 As 0.67220994232665 0.37500000000000 0.37429297312680 74.922 > 113 115 As 0.17220994232665 0.87500000000000 0.37429297312680 74.922 > 113 116 As 0.67220994232665 0.87500000000000 0.37429297312680 74.922 > 113 117 As 0.17220994232665 0.37500000000000 0.87429297312680 74.922 > 113 118 As 0.67220994232665 0.37500000000000 0.87429297312680 74.922 > 113 119 As 0.17220994232665 0.87500000000000 0.87429297312680 74.922 > 113 120 As 0.67220994232665 0.87500000000000 0.87429297312680 74.922 > 113 121 As 0.32779005767335 0.12500000000000 0.12570702687320 74.922 > 121 122 As 0.82779005767335 0.12500000000000 0.12570702687320 74.922 > 121 123 As 0.32779005767335 0.62500000000000 0.12570702687320 74.922 > 121 124 As 0.82779005767335 0.62500000000000 0.12570702687320 74.922 > 121 125 As 0.32779005767335 0.12500000000000 0.62570702687320 74.922 > 121 126 As 0.82779005767335 0.12500000000000 0.62570702687320 74.922 > 121 127 As 0.32779005767335 0.62500000000000 0.62570702687320 74.922 > 121 128 As 0.82779005767335 0.62500000000000 0.62570702687320 74.922 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9673549 0.0000000 -0.1892343 0.0000000 8.6094120 0.0000000 -0.1892169 0.0000000 6.9280409 -------------------------- Born effective charges -------------------------- 1 Al 0.6396265 0.6995776 -0.1743420 0.3018096 2.9470495 0.0320554 -0.1250051 0.2674770 1.3912879 2 Al 0.6396265 -0.6995776 -0.1743420 -0.3018096 2.9470495 -0.0320554 -0.1250051 -0.2674770 1.3912879 3 Al 0.6396265 -0.6995776 -0.1743420 -0.3018096 2.9470495 -0.0320554 -0.1250051 -0.2674770 1.3912879 4 Al 0.6396265 0.6995776 -0.1743420 0.3018096 2.9470495 0.0320554 -0.1250051 0.2674770 1.3912879 5 K 1.6274395 0.0000000 0.1887835 0.0000000 1.2313415 0.0000000 0.0711976 0.0000000 0.4918398 6 K 1.0100198 0.0000000 -0.4153111 0.0000000 1.2657905 0.0000000 -0.2886086 0.0000000 1.7412071 7 K 1.3652302 0.0000000 0.2924028 0.0000000 0.8568995 0.0000000 0.2115910 0.0000000 1.4122843 8 K 1.3652302 0.0000000 0.2924028 0.0000000 0.8568995 0.0000000 0.2115910 0.0000000 1.4122843 9 K 1.6274395 0.0000000 0.1887835 0.0000000 1.2313415 0.0000000 0.0711976 0.0000000 0.4918398 10 K 1.0100198 0.0000000 -0.4153111 0.0000000 1.2657905 0.0000000 -0.2886086 0.0000000 1.7412071 11 As -1.3992895 0.0000000 0.1558664 0.0000000 -2.9961446 0.0000000 0.1915386 0.0000000 -2.1784365 12 As -1.3992895 0.0000000 0.1558664 0.0000000 -2.9961446 0.0000000 0.1915386 0.0000000 -2.1784365 13 As -1.6442622 0.0000000 -0.4967776 0.0000000 -3.0789319 0.0000000 -0.7488114 0.0000000 -2.5803582 14 As -1.6442622 0.0000000 -0.4967776 0.0000000 -3.0789319 0.0000000 -0.7488114 0.0000000 -2.5803582 15 As -2.2383907 0.0000000 0.6237201 0.0000000 -3.1730541 0.0000000 0.8131030 0.0000000 -1.6691123 16 As -2.2383907 0.0000000 0.6237201 0.0000000 -3.1730541 0.0000000 0.8131030 0.0000000 -1.6691123 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yxy) 0.00000003 (yxy) 0.00000003 (yyx) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- 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 ... [ 7 8 5 ] 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: 0.54, Number of G-points: 313, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.115 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.022 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.966 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.173 ( 0.000 0.000 0.000) 0.000 5.532 ( 0.000 0.000 0.000) 0.000 5.690 ( 0.000 0.000 0.000) 0.000 6.405 ( 0.000 0.000 0.000) 0.000 6.845 ( 0.000 0.000 0.000) 0.000 7.270 ( 0.000 0.000 0.000) 0.000 7.998 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 10.425 ( 0.000 0.000 0.000) 0.000 11.244 ( 0.000 0.000 0.000) 0.000 11.614 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 13.752 0.000 11.217) 17.746 0.506 ( 21.526 0.000 12.198) 24.742 0.650 ( 29.349 0.000 7.909) 30.396 1.137 ( -0.386 0.000 7.426) 7.436 1.749 ( 0.177 0.000 -0.178) 0.251 1.935 ( -3.308 0.000 -8.972) 9.563 2.001 ( -0.532 0.000 0.012) 0.533 2.039 ( -4.703 0.000 12.901) 13.732 2.178 ( 1.828 0.000 7.548) 7.766 2.483 ( -1.222 0.000 6.522) 6.636 2.701 ( 6.109 0.000 -10.685) 12.308 2.847 ( -7.479 0.000 -0.069) 7.479 2.904 ( 0.769 0.000 -5.537) 5.590 2.955 ( 0.634 0.000 3.560) 3.616 2.982 ( -3.775 0.000 -1.448) 4.043 3.147 ( -2.404 0.000 -3.872) 4.558 3.200 ( -0.440 0.000 0.495) 0.662 3.269 ( -2.971 0.000 -11.854) 12.221 3.359 ( 0.845 0.000 0.459) 0.962 3.432 ( -0.412 0.000 -10.832) 10.840 3.495 ( 2.302 0.000 -0.344) 2.328 3.528 ( 0.023 0.000 0.863) 0.863 3.588 ( -0.667 0.000 -1.459) 1.604 3.697 ( 0.348 0.000 7.564) 7.572 3.739 ( 0.949 0.000 -1.637) 1.892 3.821 ( 2.261 0.000 -5.141) 5.616 3.913 ( 0.296 0.000 0.387) 0.487 4.092 ( -1.745 0.000 -0.076) 1.747 4.267 ( 2.416 0.000 4.804) 5.378 4.355 ( 3.149 0.000 0.109) 3.151 4.580 ( -3.164 0.000 -10.669) 11.128 4.641 ( -6.226 0.000 7.775) 9.960 4.957 ( 0.184 0.000 1.808) 1.818 5.168 ( -0.393 0.000 -0.101) 0.406 5.580 ( 3.462 0.000 2.100) 4.049 5.711 ( 1.045 0.000 1.868) 2.141 6.405 ( 0.020 0.000 -0.004) 0.020 6.846 ( 0.041 0.000 0.037) 0.055 7.269 ( -0.173 0.000 0.011) 0.173 7.997 ( -0.017 0.000 -0.229) 0.230 8.017 ( 0.069 0.000 -0.014) 0.070 8.893 ( 0.037 0.000 0.059) 0.070 8.960 ( -0.035 0.000 -0.094) 0.101 9.138 ( -5.739 0.000 9.788) 11.346 10.304 ( 0.942 0.000 -0.084) 0.946 10.458 ( -0.341 0.000 -0.375) 0.507 11.248 ( 0.935 0.000 -0.849) 1.263 11.768 ( 0.541 0.000 -2.526) 2.583 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 11.981 0.000 9.266) 15.146 0.956 ( 15.026 0.000 11.811) 19.112 1.131 ( 9.441 0.000 9.687) 13.526 1.255 ( 13.915 0.000 2.688) 14.173 1.743 ( -2.179 0.000 0.963) 2.383 1.809 ( -2.237 0.000 -8.272) 8.569 2.024 ( 2.362 0.000 2.910) 3.748 2.074 ( -1.109 0.000 15.364) 15.404 2.248 ( 1.058 0.000 3.410) 3.571 2.494 ( -2.622 0.000 3.567) 4.427 2.659 ( -7.305 0.000 -1.023) 7.377 2.729 ( -1.748 0.000 -6.556) 6.785 2.859 ( -0.777 0.000 -2.137) 2.273 2.913 ( -2.533 0.000 1.533) 2.961 3.015 ( -3.225 0.000 -9.279) 9.823 3.038 ( 4.487 0.000 1.839) 4.849 3.166 ( -0.969 0.000 -9.815) 9.863 3.197 ( -0.418 0.000 0.414) 0.588 3.352 ( -0.839 0.000 -8.331) 8.373 3.363 ( -0.492 0.000 0.264) 0.558 3.476 ( -1.926 0.000 -7.329) 7.578 3.490 ( -2.898 0.000 -2.436) 3.786 3.608 ( 2.159 0.000 1.358) 2.550 3.725 ( 1.185 0.000 0.013) 1.185 3.743 ( -0.313 0.000 -0.029) 0.315 3.862 ( 2.059 0.000 4.834) 5.254 3.919 ( 0.043 0.000 0.194) 0.199 4.075 ( -1.426 0.000 3.509) 3.787 4.346 ( -5.021 0.000 -7.103) 8.698 4.375 ( -0.172 0.000 -1.779) 1.787 4.417 ( 2.875 0.000 1.201) 3.116 4.616 ( -2.406 0.000 4.566) 5.161 4.983 ( 0.819 0.000 2.207) 2.354 5.158 ( -0.497 0.000 -0.126) 0.513 5.660 ( 2.844 0.000 2.060) 3.512 5.749 ( 1.359 0.000 1.587) 2.089 6.406 ( 0.026 0.000 -0.004) 0.026 6.847 ( 0.050 0.000 0.045) 0.068 7.265 ( -0.215 0.000 0.014) 0.216 7.995 ( -0.001 0.000 -0.280) 0.280 8.018 ( 0.085 0.000 -0.017) 0.087 8.895 ( 0.047 0.000 0.078) 0.091 8.959 ( -0.045 0.000 -0.122) 0.130 9.092 ( -4.596 0.000 5.962) 7.528 10.318 ( 0.649 0.000 -0.384) 0.754 10.444 ( -0.615 0.000 -0.687) 0.922 11.274 ( 2.229 0.000 -0.147) 2.234 11.752 ( -0.635 0.000 -2.064) 2.160 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 5.724 0.000 4.220) 7.111 1.141 ( 0.768 0.000 5.266) 5.322 1.333 ( 5.360 0.000 6.757) 8.624 1.514 ( 9.088 0.000 -2.796) 9.509 1.660 ( -3.382 0.000 -1.548) 3.719 1.777 ( 0.566 0.000 -1.728) 1.818 2.123 ( 2.559 0.000 8.419) 8.799 2.193 ( 3.698 0.000 4.638) 5.932 2.265 ( -0.157 0.000 0.313) 0.351 2.409 ( -4.483 0.000 -4.129) 6.094 2.514 ( -5.421 0.000 -1.572) 5.645 2.665 ( -1.681 0.000 2.670) 3.155 2.856 ( 0.549 0.000 0.160) 0.572 2.891 ( -1.038 0.000 -2.385) 2.601 2.974 ( 3.234 0.000 -1.168) 3.439 3.069 ( -3.661 0.000 -5.612) 6.700 3.119 ( 2.437 0.000 0.653) 2.523 3.188 ( -0.534 0.000 0.046) 0.536 3.286 ( -1.315 0.000 -3.177) 3.438 3.362 ( 0.262 0.000 1.132) 1.162 3.386 ( -0.953 0.000 -5.099) 5.188 3.416 ( -2.419 0.000 -2.449) 3.442 3.652 ( 1.127 0.000 0.789) 1.376 3.732 ( -0.619 0.000 0.755) 0.976 3.764 ( 1.624 0.000 0.747) 1.788 3.918 ( -0.112 0.000 -0.020) 0.114 3.924 ( 1.501 0.000 1.590) 2.186 4.076 ( -0.721 0.000 1.504) 1.668 4.135 ( -6.167 0.000 -3.474) 7.078 4.424 ( 1.582 0.000 -0.925) 1.832 4.486 ( 2.766 0.000 0.293) 2.782 4.602 ( -1.510 0.000 1.999) 2.505 5.007 ( 0.353 0.000 0.967) 1.029 5.150 ( -0.224 0.000 -0.056) 0.231 5.706 ( 0.954 0.000 0.797) 1.243 5.776 ( 0.585 0.000 0.625) 0.856 6.406 ( 0.012 0.000 -0.002) 0.012 6.848 ( 0.022 0.000 0.020) 0.030 7.262 ( -0.095 0.000 0.007) 0.096 7.994 ( 0.008 0.000 -0.123) 0.124 8.019 ( 0.038 0.000 -0.008) 0.038 8.896 ( 0.022 0.000 0.036) 0.042 8.957 ( -0.021 0.000 -0.056) 0.060 9.058 ( -1.831 0.000 2.265) 2.912 10.323 ( 0.130 0.000 -0.272) 0.302 10.430 ( -0.320 0.000 -0.383) 0.499 11.316 ( 1.462 0.000 0.319) 1.496 11.724 ( -0.691 0.000 -1.080) 1.282 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( 0.000 15.110 0.000) 15.110 0.405 ( 0.000 19.573 0.000) 19.573 0.689 ( 0.000 28.195 0.000) 28.195 1.299 ( 0.000 17.326 0.000) 17.326 1.794 ( 0.000 4.480 0.000) 4.480 1.956 ( 0.000 -0.929 0.000) 0.929 2.038 ( 0.000 -0.111 0.000) 0.111 2.138 ( 0.000 9.487 0.000) 9.487 2.369 ( 0.000 -4.928 0.000) 4.928 2.574 ( 0.000 2.518 0.000) 2.518 2.600 ( 0.000 -1.302 0.000) 1.302 2.825 ( 0.000 -5.390 0.000) 5.390 2.926 ( 0.000 -3.621 0.000) 3.621 2.964 ( 0.000 -1.181 0.000) 1.181 2.965 ( 0.000 -1.303 0.000) 1.303 3.175 ( 0.000 -0.622 0.000) 0.622 3.258 ( 0.000 -5.767 0.000) 5.767 3.264 ( 0.000 -1.334 0.000) 1.334 3.424 ( 0.000 3.197 0.000) 3.197 3.440 ( 0.000 -1.701 0.000) 1.701 3.454 ( 0.000 0.996 0.000) 0.996 3.534 ( 0.000 1.785 0.000) 1.785 3.575 ( 0.000 -0.518 0.000) 0.518 3.607 ( 0.000 -4.852 0.000) 4.852 3.651 ( 0.000 3.053 0.000) 3.053 3.748 ( 0.000 -0.203 0.000) 0.203 3.833 ( 0.000 -3.568 0.000) 3.568 4.083 ( 0.000 0.465 0.000) 0.465 4.154 ( 0.000 2.378 0.000) 2.378 4.365 ( 0.000 1.546 0.000) 1.546 4.378 ( 0.000 4.161 0.000) 4.161 4.658 ( 0.000 4.249 0.000) 4.249 4.744 ( 0.000 -13.904 0.000) 13.904 5.289 ( 0.000 7.156 0.000) 7.156 5.540 ( 0.000 0.781 0.000) 0.781 5.661 ( 0.000 -2.763 0.000) 2.763 6.501 ( 0.000 8.642 0.000) 8.642 7.263 ( 0.000 -0.505 0.000) 0.505 7.357 ( 0.000 5.989 0.000) 5.989 8.000 ( 0.000 0.016 0.000) 0.016 8.040 ( 0.000 2.009 0.000) 2.009 8.783 ( 0.000 -11.743 0.000) 11.743 9.348 ( 0.000 14.033 0.000) 14.033 9.883 ( 0.000 4.821 0.000) 4.821 10.281 ( 0.000 -0.826 0.000) 0.826 10.379 ( 0.000 -4.297 0.000) 4.297 11.184 ( 0.000 -5.680 0.000) 5.680 11.547 ( 0.000 -6.379 0.000) 6.379 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 17.523 6.378 1.963) 18.751 0.638 ( 16.809 12.195 7.979) 22.247 0.865 ( 13.255 18.710 8.322) 24.393 1.298 ( -2.258 16.563 7.320) 18.248 1.785 ( -1.092 2.881 0.920) 3.215 1.986 ( 1.462 0.386 1.946) 2.465 2.037 ( -3.446 0.379 8.617) 9.288 2.132 ( -0.766 11.559 -6.183) 13.131 2.248 ( -5.674 1.487 2.365) 6.324 2.509 ( -4.611 1.010 5.667) 7.375 2.684 ( 7.403 -0.365 -7.743) 10.719 2.794 ( -4.089 -4.846 -0.974) 6.415 2.881 ( -0.532 -1.445 -1.324) 2.030 2.918 ( -3.665 -1.970 0.928) 4.263 2.961 ( -1.396 -1.762 -0.567) 2.318 3.142 ( -2.736 0.096 -4.937) 5.645 3.204 ( -0.809 -0.815 -0.808) 1.404 3.239 ( -1.037 -4.159 -7.078) 8.275 3.370 ( -3.050 0.558 -3.941) 5.015 3.404 ( -2.765 -2.287 -5.614) 6.662 3.453 ( -0.939 -3.627 2.215) 4.352 3.521 ( 0.494 -3.933 -0.562) 4.003 3.574 ( 2.821 3.042 -1.931) 4.576 3.715 ( 3.216 0.957 7.911) 8.593 3.754 ( 3.730 1.532 -0.430) 4.055 3.806 ( 2.727 -6.501 0.451) 7.064 3.846 ( 1.708 1.166 -3.071) 3.702 4.023 ( -0.755 -3.035 -0.908) 3.257 4.251 ( 3.872 -2.107 4.287) 6.149 4.351 ( -0.069 -1.974 -3.222) 3.779 4.409 ( 1.634 2.688 0.690) 3.220 4.661 ( -0.380 4.664 2.180) 5.163 4.765 ( 1.191 -12.958 2.139) 13.187 5.289 ( -0.150 7.207 0.343) 7.216 5.570 ( 2.405 0.268 1.766) 2.996 5.678 ( 1.215 -2.888 1.269) 3.380 6.501 ( -0.054 8.652 0.267) 8.656 7.247 ( -6.590 13.058 -2.572) 14.851 7.265 ( -0.677 1.149 -0.731) 1.521 7.998 ( -0.064 0.018 -0.172) 0.184 8.045 ( 0.386 2.254 0.090) 2.289 8.774 ( -1.433 -11.853 1.562) 12.041 9.334 ( -0.779 15.400 -3.220) 15.753 9.492 ( -22.471 25.864 -0.904) 34.274 10.288 ( 1.081 -1.229 -0.082) 1.639 10.401 ( 0.625 -4.676 -0.288) 4.727 11.185 ( 0.858 -5.711 -0.692) 5.816 11.615 ( 3.406 -10.443 -0.568) 10.999 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 11.623 9.706 8.091) 17.169 1.036 ( 18.489 5.612 4.414) 19.820 1.157 ( 8.265 3.466 6.617) 11.140 1.346 ( 2.414 12.636 8.104) 15.205 1.773 ( -0.689 2.139 0.679) 2.347 1.951 ( -6.645 8.805 -2.628) 11.340 2.043 ( 2.768 1.481 0.677) 3.212 2.101 ( -1.335 5.320 14.184) 15.207 2.266 ( 3.097 1.027 -1.104) 3.445 2.489 ( -2.250 -0.394 3.865) 4.490 2.650 ( -7.053 -1.039 -0.942) 7.191 2.726 ( -0.405 0.101 -5.434) 5.450 2.848 ( -4.224 -2.768 -0.294) 5.058 2.890 ( 1.727 -0.767 -0.065) 1.891 2.937 ( -1.750 -3.083 -1.003) 3.684 3.057 ( 0.705 -0.274 -4.863) 4.922 3.125 ( -1.930 -3.078 -8.452) 9.200 3.202 ( -0.468 -0.346 0.086) 0.588 3.303 ( -1.811 -2.547 -1.878) 3.646 3.374 ( 0.652 -4.825 -3.119) 5.782 3.410 ( -2.461 -1.507 -2.658) 3.923 3.510 ( -1.908 -0.393 -2.333) 3.039 3.628 ( 3.188 2.125 0.308) 3.844 3.728 ( -0.399 -0.437 -2.051) 2.134 3.765 ( -1.529 0.725 -5.630) 5.878 3.837 ( 0.815 -4.352 0.684) 4.480 3.890 ( 3.345 2.387 4.806) 6.324 4.044 ( -0.130 -3.203 3.710) 4.903 4.252 ( -5.259 -4.969 -4.687) 8.621 4.357 ( 4.457 -0.576 -0.992) 4.602 4.449 ( 1.798 1.389 0.988) 2.478 4.670 ( -0.740 5.602 3.231) 6.509 4.806 ( 1.292 -11.364 2.171) 11.642 5.288 ( -0.229 7.435 0.441) 7.452 5.637 ( 2.653 -0.982 1.979) 3.452 5.715 ( 1.363 -3.088 1.407) 3.657 6.502 ( -0.066 8.678 0.305) 8.684 7.117 ( -4.256 17.833 -1.608) 18.405 7.262 ( 0.029 -0.118 -0.160) 0.201 7.997 ( 0.047 0.060 -0.250) 0.261 8.053 ( 0.346 2.826 0.110) 2.849 8.754 ( -1.851 -12.031 1.954) 12.328 9.178 ( -7.026 21.755 -4.018) 23.211 9.334 ( -2.786 15.453 4.207) 16.256 10.309 ( 1.106 -0.749 -0.270) 1.363 10.399 ( -0.213 -3.935 -0.751) 4.012 11.213 ( 2.139 -5.763 0.122) 6.149 11.635 ( 0.122 -10.126 -1.824) 10.289 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 4.745 10.140 4.585) 12.098 1.279 ( 4.046 7.838 2.159) 9.081 1.313 ( 3.491 4.064 5.155) 7.435 1.455 ( 5.089 -2.520 -0.433) 5.695 1.766 ( -0.577 5.366 0.862) 5.465 1.828 ( -3.225 5.555 -2.739) 6.983 2.130 ( 4.283 0.919 3.818) 5.811 2.187 ( -1.585 3.032 9.513) 10.110 2.299 ( 2.612 1.087 -6.154) 6.773 2.461 ( -0.783 3.548 -0.848) 3.731 2.512 ( -6.139 0.481 1.159) 6.266 2.648 ( -3.159 -1.669 -0.095) 3.573 2.811 ( -0.671 -5.365 -0.035) 5.407 2.917 ( 2.402 0.123 -0.925) 2.577 2.932 ( 1.997 -0.369 1.102) 2.311 3.029 ( -3.412 -1.224 -6.014) 7.022 3.084 ( 0.860 -3.600 0.101) 3.702 3.185 ( -0.394 -0.833 -0.670) 1.139 3.298 ( 2.025 -0.446 0.453) 2.123 3.351 ( -2.255 0.313 0.084) 2.278 3.366 ( 0.256 -3.934 -1.992) 4.417 3.414 ( -3.587 0.260 -5.161) 6.291 3.682 ( 0.474 -0.031 3.334) 3.368 3.707 ( 0.056 -1.164 -3.965) 4.132 3.738 ( 1.494 -2.473 -0.328) 2.908 3.848 ( -0.106 -3.356 0.213) 3.364 3.959 ( 1.354 2.905 1.620) 3.591 4.039 ( -1.889 -3.562 -0.147) 4.035 4.132 ( -2.792 0.885 -0.980) 3.088 4.420 ( 2.367 -0.593 -1.097) 2.676 4.481 ( 0.641 -1.197 0.812) 1.582 4.677 ( -0.304 6.837 1.411) 6.988 4.835 ( 0.500 -10.442 0.837) 10.488 5.287 ( -0.110 7.572 0.213) 7.576 5.683 ( 0.967 -1.472 0.788) 1.930 5.742 ( 0.567 -3.225 0.573) 3.324 6.503 ( -0.029 8.698 0.130) 8.699 7.060 ( -1.209 16.712 -0.396) 16.760 7.262 ( 0.014 0.101 -0.067) 0.121 7.996 ( 0.048 0.133 -0.119) 0.185 8.058 ( 0.134 3.238 0.053) 3.242 8.737 ( -0.841 -12.104 0.882) 12.165 9.083 ( -1.846 16.327 -0.826) 16.452 9.320 ( -0.830 15.864 1.279) 15.937 10.322 ( 0.402 0.040 -0.170) 0.439 10.389 ( -0.211 -3.625 -0.436) 3.657 11.254 ( 1.418 -5.805 0.452) 5.993 11.615 ( -0.569 -9.874 -1.109) 9.952 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 0.000 19.830 0.000) 19.830 0.815 ( 0.000 19.565 0.000) 19.565 1.115 ( 0.000 13.451 0.000) 13.451 1.742 ( 0.000 17.209 0.000) 17.209 1.938 ( 0.000 -0.652 0.000) 0.652 1.957 ( 0.000 12.885 0.000) 12.885 2.040 ( 0.000 1.561 0.000) 1.561 2.310 ( 0.000 0.247 0.000) 0.247 2.355 ( 0.000 9.446 0.000) 9.446 2.574 ( 0.000 -1.387 0.000) 1.387 2.584 ( 0.000 -0.981 0.000) 0.981 2.705 ( 0.000 -4.508 0.000) 4.508 2.856 ( 0.000 -2.498 0.000) 2.498 2.923 ( 0.000 -2.744 0.000) 2.744 2.949 ( 0.000 -0.417 0.000) 0.417 3.054 ( 0.000 -8.114 0.000) 8.114 3.207 ( 0.000 -0.780 0.000) 0.780 3.210 ( 0.000 -4.624 0.000) 4.624 3.389 ( 0.000 -5.577 0.000) 5.577 3.411 ( 0.000 -1.901 0.000) 1.901 3.417 ( 0.000 -5.151 0.000) 5.151 3.475 ( 0.000 -3.128 0.000) 3.128 3.557 ( 0.000 0.378 0.000) 0.378 3.664 ( 0.000 6.872 0.000) 6.872 3.709 ( 0.000 2.411 0.000) 2.411 3.757 ( 0.000 1.256 0.000) 1.256 3.830 ( 0.000 1.969 0.000) 1.969 4.096 ( 0.000 0.780 0.000) 0.780 4.199 ( 0.000 1.475 0.000) 1.475 4.327 ( 0.000 -12.563 0.000) 12.563 4.443 ( 0.000 2.231 0.000) 2.231 4.477 ( 0.000 -4.278 0.000) 4.278 4.799 ( 0.000 8.793 0.000) 8.793 5.416 ( 0.000 4.580 0.000) 4.580 5.561 ( 0.000 1.130 0.000) 1.130 5.579 ( 0.000 -4.776 0.000) 4.776 6.734 ( 0.000 12.861 0.000) 12.861 7.258 ( 0.000 0.225 0.000) 0.225 7.530 ( 0.000 10.094 0.000) 10.094 7.992 ( 0.000 -0.919 0.000) 0.919 8.080 ( 0.000 1.332 0.000) 1.332 8.516 ( 0.000 -13.521 0.000) 13.521 9.678 ( 0.000 17.163 0.000) 17.163 9.993 ( 0.000 4.271 0.000) 4.271 10.262 ( 0.000 -6.377 0.000) 6.377 10.295 ( 0.000 3.756 0.000) 3.756 11.014 ( 0.000 -10.384 0.000) 10.384 11.357 ( 0.000 -11.469 0.000) 11.469 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 8.513 12.045 -0.691) 14.766 0.943 ( 9.304 15.581 7.276) 19.552 1.211 ( 5.703 13.892 5.405) 15.961 1.731 ( -1.739 16.825 2.171) 17.053 1.836 ( -6.132 2.028 4.870) 8.089 2.046 ( -0.385 1.965 2.628) 3.304 2.067 ( 3.971 9.506 3.336) 10.829 2.250 ( -3.026 0.240 -0.071) 3.036 2.371 ( 0.470 9.277 -1.922) 9.486 2.500 ( -4.802 -1.125 3.934) 6.308 2.651 ( 0.211 -4.021 -0.076) 4.028 2.728 ( 5.787 1.209 -3.631) 6.938 2.860 ( -4.380 -1.171 -1.053) 4.655 2.864 ( -1.563 -3.281 -0.614) 3.686 2.925 ( -0.539 -1.811 1.321) 2.306 3.063 ( 2.195 -6.767 -3.900) 8.113 3.175 ( -1.167 -2.267 -6.170) 6.676 3.185 ( -5.383 -0.261 2.078) 5.776 3.311 ( -5.749 -5.965 -3.832) 9.128 3.358 ( -4.085 -3.950 2.960) 6.407 3.381 ( -2.331 -1.084 -6.083) 6.604 3.429 ( 1.348 -4.432 -0.570) 4.667 3.609 ( 3.549 -1.394 1.382) 4.055 3.697 ( -0.560 -1.073 -2.039) 2.371 3.749 ( 2.064 2.398 2.946) 4.323 3.812 ( 6.297 3.065 0.953) 7.068 3.892 ( 3.448 2.736 1.436) 4.630 4.025 ( -3.069 2.093 -6.374) 7.377 4.211 ( 0.795 -3.059 -2.319) 3.920 4.305 ( -0.777 -7.402 0.274) 7.448 4.444 ( -0.674 0.405 0.434) 0.898 4.527 ( 3.755 -5.306 1.942) 6.784 4.810 ( 0.326 9.002 2.017) 9.231 5.419 ( -0.059 4.872 0.725) 4.926 5.580 ( 1.418 -0.321 1.031) 1.782 5.595 ( 1.059 -4.087 1.430) 4.458 6.734 ( -0.117 12.856 0.440) 12.864 7.260 ( 0.364 0.336 -0.336) 0.599 7.507 ( -1.959 11.847 -0.672) 12.027 7.991 ( 0.013 -0.860 -0.192) 0.882 8.090 ( 0.832 1.491 0.150) 1.714 8.509 ( -1.187 -13.315 1.359) 13.437 9.676 ( -0.245 17.394 -0.193) 17.397 9.866 ( -11.054 11.850 -2.040) 16.333 10.255 ( 0.319 -3.680 0.290) 3.705 10.312 ( 1.361 -0.431 -0.992) 1.738 11.018 ( 0.642 -10.154 0.057) 10.174 11.370 ( 1.150 -13.157 -1.085) 13.251 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 13.759 2.710 3.306) 14.408 1.193 ( 9.473 8.708 8.047) 15.176 1.319 ( 1.282 11.072 3.685) 11.739 1.713 ( -2.554 16.592 4.512) 17.384 1.813 ( 1.051 1.183 2.900) 3.304 2.039 ( -4.313 1.729 5.044) 6.858 2.122 ( 0.290 7.453 1.601) 7.628 2.252 ( 3.558 2.316 0.549) 4.281 2.330 ( -3.656 7.832 1.747) 8.818 2.492 ( 1.361 0.305 0.863) 1.640 2.620 ( -2.676 -0.099 -0.702) 2.768 2.734 ( -1.547 -0.845 -2.400) 2.978 2.771 ( -5.750 -3.295 -4.622) 8.080 2.875 ( 1.601 0.486 1.267) 2.099 2.919 ( -0.110 -0.312 0.329) 0.466 3.026 ( -6.668 -2.861 -0.175) 7.258 3.073 ( 3.034 -1.064 -6.583) 7.327 3.161 ( 0.664 -3.643 1.610) 4.038 3.246 ( -1.587 -3.713 -0.228) 4.044 3.252 ( -3.785 -4.847 -2.881) 6.791 3.339 ( -1.318 -4.352 -1.869) 4.916 3.440 ( -0.879 -5.769 0.908) 5.906 3.653 ( -2.027 -6.231 -0.058) 6.553 3.698 ( 4.630 3.430 -1.137) 5.873 3.764 ( -0.510 2.959 -6.326) 7.003 3.855 ( -0.961 2.423 -7.940) 8.357 3.942 ( 4.459 2.210 2.015) 5.369 4.003 ( -0.193 0.479 4.572) 4.601 4.179 ( -1.535 -4.160 -3.067) 5.392 4.329 ( 2.979 -4.020 -0.754) 5.060 4.434 ( -0.887 -1.631 1.491) 2.381 4.609 ( 3.100 -5.655 1.424) 6.604 4.834 ( 0.474 9.318 2.242) 9.596 5.422 ( -0.181 5.302 0.825) 5.368 5.618 ( 1.372 -4.173 1.359) 4.598 5.632 ( 1.415 -1.755 1.515) 2.717 6.736 ( -0.139 12.859 0.550) 12.871 7.266 ( 0.463 0.589 -0.421) 0.859 7.459 ( -2.241 14.990 -0.638) 15.170 7.991 ( 0.160 -0.743 -0.267) 0.806 8.109 ( 0.925 1.901 0.237) 2.127 8.494 ( -1.462 -12.827 1.673) 13.019 9.620 ( -7.178 18.976 -6.089) 21.182 9.684 ( -3.310 17.357 4.466) 18.225 10.275 ( 1.182 -3.953 0.292) 4.136 10.328 ( 1.127 -0.299 -1.248) 1.708 11.044 ( 1.706 -10.150 0.837) 10.326 11.368 ( -0.231 -14.846 -2.094) 14.994 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 8.366 1.898 5.236) 10.050 1.311 ( -2.293 4.334 0.241) 4.909 1.379 ( 5.240 0.979 1.210) 5.466 1.700 ( -1.417 17.056 2.606) 17.312 1.876 ( 2.436 5.961 1.766) 6.678 1.952 ( -4.644 5.488 -0.305) 7.196 2.170 ( 1.499 1.771 5.291) 5.777 2.253 ( 0.000 1.534 -5.591) 5.798 2.375 ( 3.443 7.033 4.027) 8.805 2.475 ( -3.690 -0.283 0.428) 3.725 2.596 ( -0.331 6.020 1.208) 6.149 2.596 ( -3.570 -2.966 -3.911) 6.069 2.702 ( -3.913 -2.789 -2.046) 5.222 2.873 ( 4.012 -1.542 0.034) 4.298 2.949 ( -1.162 -3.108 0.514) 3.357 2.987 ( -0.374 -2.366 -0.250) 2.408 3.062 ( -0.752 2.192 -0.872) 2.476 3.150 ( -1.020 -2.146 0.471) 2.423 3.222 ( 0.069 -7.996 -0.259) 8.000 3.272 ( 2.629 -5.614 0.103) 6.200 3.314 ( 0.774 -1.193 1.682) 2.203 3.397 ( -3.455 -4.044 -1.508) 5.529 3.611 ( -2.420 -1.728 -2.280) 3.747 3.653 ( -1.412 -2.021 -4.637) 5.252 3.782 ( 3.941 4.120 -1.364) 5.863 3.836 ( -0.127 0.988 -0.553) 1.139 3.989 ( -0.575 -0.515 -0.343) 0.845 4.019 ( 0.444 2.112 1.694) 2.743 4.143 ( -0.669 -0.712 -0.251) 1.008 4.380 ( 2.514 -6.364 -1.257) 6.957 4.428 ( -1.025 -1.005 1.505) 2.080 4.656 ( 1.110 -5.759 0.502) 5.887 4.854 ( 0.277 9.478 0.893) 9.524 5.423 ( -0.114 5.489 0.343) 5.501 5.644 ( 0.516 -5.916 0.651) 5.974 5.660 ( 0.603 -1.017 0.560) 1.308 6.737 ( -0.059 12.876 0.245) 12.879 7.271 ( 0.209 0.796 -0.188) 0.845 7.424 ( -0.937 16.852 -0.224) 16.879 7.992 ( 0.105 -0.649 -0.127) 0.669 8.124 ( 0.389 2.257 0.121) 2.294 8.481 ( -0.645 -12.422 0.743) 12.461 9.482 ( -3.289 19.790 -1.533) 20.120 9.675 ( -0.533 17.705 1.076) 17.746 10.293 ( 0.490 -4.432 0.165) 4.462 10.336 ( 0.455 1.090 -0.658) 1.352 11.082 ( 1.206 -10.392 0.778) 10.490 11.343 ( -0.632 -15.418 -1.300) 15.486 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.000 18.020 0.000) 18.020 1.211 ( 0.000 18.149 0.000) 18.149 1.299 ( 0.000 4.674 0.000) 4.674 1.812 ( 0.000 -6.086 0.000) 6.086 1.942 ( 0.000 1.592 0.000) 1.592 2.089 ( 0.000 2.414 0.000) 2.414 2.192 ( 0.000 2.063 0.000) 2.063 2.410 ( 0.000 -5.236 0.000) 5.236 2.421 ( 0.000 5.790 0.000) 5.790 2.563 ( 0.000 2.109 0.000) 2.109 2.687 ( 0.000 -0.269 0.000) 0.269 2.710 ( 0.000 18.388 0.000) 18.388 2.800 ( 0.000 -5.071 0.000) 5.071 2.883 ( 0.000 2.327 0.000) 2.327 2.914 ( 0.000 -1.203 0.000) 1.203 2.950 ( 0.000 -1.752 0.000) 1.752 3.092 ( 0.000 -5.627 0.000) 5.627 3.188 ( 0.000 -1.436 0.000) 1.436 3.278 ( 0.000 -3.935 0.000) 3.935 3.288 ( 0.000 -2.583 0.000) 2.583 3.382 ( 0.000 -3.448 0.000) 3.448 3.474 ( 0.000 2.345 0.000) 2.345 3.553 ( 0.000 -0.850 0.000) 0.850 3.739 ( 0.000 -1.000 0.000) 1.000 3.782 ( 0.000 0.703 0.000) 0.703 3.787 ( 0.000 2.777 0.000) 2.777 3.871 ( 0.000 1.456 0.000) 1.456 3.932 ( 0.000 -18.290 0.000) 18.290 4.122 ( 0.000 1.647 0.000) 1.647 4.205 ( 0.000 -0.944 0.000) 0.944 4.481 ( 0.000 1.406 0.000) 1.406 4.484 ( 0.000 1.214 0.000) 1.214 5.002 ( 0.000 10.281 0.000) 10.281 5.402 ( 0.000 -6.996 0.000) 6.996 5.538 ( 0.000 1.922 0.000) 1.922 5.580 ( 0.000 0.483 0.000) 0.483 7.003 ( 0.000 12.089 0.000) 12.089 7.264 ( 0.000 -0.286 0.000) 0.286 7.756 ( 0.000 10.964 0.000) 10.964 7.973 ( 0.000 -0.137 0.000) 0.137 8.072 ( 0.000 -2.610 0.000) 2.610 8.237 ( 0.000 -12.544 0.000) 12.544 10.030 ( 0.000 0.145 0.000) 0.145 10.032 ( 0.000 13.213 0.000) 13.213 10.152 ( 0.000 -0.504 0.000) 0.504 10.467 ( 0.000 11.549 0.000) 11.549 10.761 ( 0.000 -13.296 0.000) 13.296 11.083 ( 0.000 -14.422 0.000) 14.422 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -1.823 15.332 0.804) 15.461 1.234 ( 2.037 10.177 7.180) 12.621 1.454 ( 9.398 9.561 1.936) 13.546 1.748 ( -4.666 -5.012 1.791) 7.078 1.970 ( -0.232 5.399 4.150) 6.813 2.097 ( -0.799 2.998 1.469) 3.433 2.218 ( 3.466 -0.659 -2.178) 4.147 2.374 ( -2.817 6.175 2.837) 7.356 2.396 ( -0.620 -5.781 0.174) 5.817 2.538 ( -4.880 7.136 -0.788) 8.681 2.650 ( 0.358 0.487 1.541) 1.655 2.770 ( -2.025 -5.666 -1.853) 6.296 2.813 ( -5.642 -0.104 -0.173) 5.645 2.835 ( 5.820 8.948 4.749) 11.684 2.902 ( -1.643 1.385 0.457) 2.197 2.985 ( 5.703 0.278 -2.642) 6.292 3.108 ( -0.467 -3.609 -3.751) 5.226 3.174 ( -2.940 -1.915 0.749) 3.588 3.203 ( -4.859 -1.451 -2.371) 5.599 3.279 ( -2.064 -3.096 1.608) 4.054 3.341 ( -1.369 -3.682 -5.716) 6.936 3.391 ( -5.459 1.644 -1.147) 5.815 3.550 ( -0.519 -3.247 0.727) 3.368 3.705 ( -0.334 -0.722 -1.619) 1.804 3.790 ( 1.947 0.673 -1.459) 2.524 3.860 ( 3.621 -2.912 2.115) 5.106 3.937 ( 3.085 -0.552 4.181) 5.225 3.970 ( 3.046 -9.249 1.106) 9.800 4.080 ( -1.126 2.924 -7.799) 8.405 4.203 ( 1.136 -2.407 -3.356) 4.283 4.469 ( -1.030 1.668 -0.199) 1.970 4.505 ( 1.849 0.069 0.375) 1.888 5.015 ( 0.604 10.315 1.717) 10.474 5.417 ( 0.888 -6.965 1.626) 7.207 5.538 ( -0.151 1.967 0.353) 2.004 5.593 ( 0.799 0.045 1.211) 1.452 7.004 ( -0.056 12.127 0.351) 12.132 7.268 ( 0.474 -0.294 -0.292) 0.629 7.754 ( -0.222 11.513 0.124) 11.516 7.973 ( 0.180 -0.088 -0.300) 0.361 8.083 ( 0.992 -2.601 0.180) 2.789 8.235 ( -0.403 -12.327 0.525) 12.345 10.008 ( -2.157 2.933 -1.400) 3.901 10.027 ( -0.710 12.370 0.785) 12.415 10.170 ( 1.665 0.598 0.359) 1.805 10.438 ( -1.853 10.845 -1.419) 11.094 10.771 ( 0.714 -13.059 0.899) 13.109 11.070 ( -0.746 -15.319 -1.609) 15.422 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 5.606 8.931 4.100) 11.314 1.337 ( 2.224 2.999 7.989) 8.818 1.532 ( -4.218 8.105 2.276) 9.416 1.770 ( 6.080 -3.786 1.596) 7.338 1.994 ( -0.058 10.670 4.769) 11.687 2.067 ( -2.565 3.607 1.534) 4.684 2.255 ( 1.308 2.378 -0.644) 2.789 2.379 ( 0.679 7.389 -2.865) 7.954 2.420 ( -1.723 -3.469 -0.447) 3.899 2.450 ( 0.812 1.549 6.183) 6.426 2.628 ( -4.287 -5.373 -2.433) 7.292 2.687 ( -3.742 -1.548 1.222) 4.230 2.751 ( 0.670 2.856 -3.797) 4.798 2.876 ( -0.963 -2.654 0.985) 2.990 2.965 ( -6.925 -1.318 -0.533) 7.070 2.979 ( 3.990 6.697 1.989) 8.046 3.063 ( -3.205 -0.662 -0.022) 3.273 3.105 ( -1.748 0.502 -2.126) 2.798 3.120 ( -0.716 -4.091 -3.440) 5.393 3.212 ( -4.867 -1.187 0.678) 5.055 3.286 ( -0.132 -2.212 -3.888) 4.475 3.334 ( -1.087 -2.284 2.630) 3.649 3.526 ( -2.110 -5.006 1.178) 5.559 3.753 ( 4.896 -0.132 0.003) 4.898 3.811 ( 2.539 0.686 -4.281) 5.024 3.914 ( -0.585 1.382 -4.358) 4.609 3.968 ( 1.335 -1.261 -4.980) 5.307 4.017 ( 0.875 -0.481 5.068) 5.165 4.055 ( 2.017 -2.039 0.245) 2.878 4.199 ( 1.438 -5.834 -5.227) 7.964 4.452 ( -0.730 2.281 0.673) 2.488 4.546 ( 1.894 -1.916 0.444) 2.730 5.042 ( 0.761 10.358 1.687) 10.522 5.450 ( 1.023 -6.903 1.874) 7.225 5.537 ( -0.240 2.018 0.430) 2.077 5.620 ( 0.810 -0.802 1.392) 1.799 7.006 ( -0.048 12.222 0.453) 12.231 7.277 ( 0.606 -0.300 -0.353) 0.763 7.750 ( -0.342 12.724 0.154) 12.730 7.976 ( 0.397 0.109 -0.397) 0.572 8.106 ( 1.125 -2.641 0.294) 2.886 8.230 ( -0.506 -11.870 0.660) 11.899 9.927 ( -4.494 9.531 -2.060) 10.737 10.018 ( -0.862 11.505 1.108) 11.591 10.210 ( 1.954 1.909 0.352) 2.754 10.405 ( -0.287 7.840 -1.377) 7.966 10.800 ( 1.318 -12.815 1.519) 12.972 11.035 ( -1.223 -16.573 -2.417) 16.793 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 7.355 3.269 4.612) 9.277 1.385 ( -3.506 -0.448 0.718) 3.607 1.455 ( -1.403 7.024 1.718) 7.366 1.849 ( 0.724 -8.422 0.434) 8.464 2.030 ( 0.079 11.907 2.985) 12.275 2.073 ( 2.305 10.294 -0.368) 10.555 2.260 ( -2.583 5.304 2.242) 6.311 2.304 ( -0.654 2.055 -3.666) 4.253 2.455 ( 2.716 0.590 0.033) 2.779 2.512 ( -1.619 -2.976 -2.025) 3.947 2.529 ( -0.503 2.249 4.459) 5.019 2.680 ( 2.299 0.084 -1.556) 2.777 2.745 ( -2.491 5.546 -1.089) 6.176 2.827 ( -2.475 -4.676 0.035) 5.290 2.881 ( 0.976 0.615 -2.331) 2.600 2.968 ( -6.232 -3.720 2.511) 7.680 3.027 ( 0.509 -2.601 2.134) 3.403 3.067 ( -0.431 -7.506 -2.593) 7.953 3.099 ( 0.695 -1.537 -2.568) 3.072 3.153 ( -2.699 -0.067 1.962) 3.338 3.257 ( -0.870 -4.463 -2.051) 4.988 3.367 ( 1.046 -2.500 1.488) 3.092 3.553 ( 2.791 1.989 6.834) 7.645 3.737 ( -3.469 5.722 -10.159) 12.165 3.848 ( 0.641 0.076 -2.685) 2.761 3.871 ( 3.627 3.944 0.570) 5.388 3.994 ( 0.184 -0.112 -0.497) 0.542 4.044 ( 0.009 0.290 2.222) 2.240 4.092 ( 0.879 -3.393 1.539) 3.828 4.182 ( 0.221 -10.247 -3.434) 10.809 4.451 ( 0.003 2.367 0.543) 2.428 4.575 ( 0.707 -3.050 0.237) 3.140 5.061 ( 0.360 10.330 0.627) 10.356 5.474 ( 0.427 -6.809 0.787) 6.868 5.536 ( -0.130 1.985 0.186) 1.998 5.638 ( 0.299 -1.374 0.580) 1.521 7.008 ( -0.013 12.310 0.206) 12.312 7.284 ( 0.276 -0.293 -0.154) 0.431 7.745 ( -0.173 13.679 0.068) 13.680 7.981 ( 0.218 0.329 -0.183) 0.435 8.124 ( 0.479 -2.711 0.153) 2.757 8.226 ( -0.230 -11.533 0.296) 11.539 9.844 ( -2.296 13.718 -0.924) 13.940 10.011 ( -0.404 11.108 0.473) 11.125 10.240 ( 0.803 2.478 0.128) 2.608 10.401 ( 0.235 5.687 -0.529) 5.717 10.833 ( 0.876 -12.997 1.004) 13.066 11.000 ( -0.741 -16.803 -1.405) 16.878 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.000 -5.648 0.000) 5.648 1.298 ( 0.000 5.648 0.000) 5.648 1.572 ( 0.000 -15.769 0.000) 15.769 1.572 ( 0.000 15.769 0.000) 15.769 2.024 ( 0.000 -5.833 0.000) 5.833 2.024 ( 0.000 5.833 0.000) 5.833 2.273 ( 0.000 -6.206 0.000) 6.206 2.273 ( 0.000 6.206 0.000) 6.206 2.544 ( 0.000 -5.787 0.000) 5.787 2.544 ( 0.000 5.787 0.000) 5.787 2.686 ( 0.000 -3.894 0.000) 3.894 2.686 ( 0.000 3.894 0.000) 3.894 2.899 ( 0.000 -3.257 0.000) 3.257 2.899 ( 0.000 3.257 0.000) 3.257 2.978 ( 0.000 -4.987 0.000) 4.987 2.978 ( 0.000 4.987 0.000) 4.987 3.128 ( 0.000 -6.230 0.000) 6.230 3.128 ( 0.000 6.230 0.000) 6.230 3.304 ( 0.000 -2.812 0.000) 2.812 3.304 ( 0.000 2.812 0.000) 2.812 3.388 ( 0.000 -19.089 0.000) 19.089 3.388 ( 0.000 19.089 0.000) 19.089 3.528 ( 0.000 -2.628 0.000) 2.628 3.528 ( 0.000 2.628 0.000) 2.628 3.784 ( 0.000 -0.373 0.000) 0.373 3.784 ( 0.000 0.373 0.000) 0.373 3.877 ( 0.000 -1.053 0.000) 1.053 3.877 ( 0.000 1.053 0.000) 1.053 4.167 ( 0.000 -2.337 0.000) 2.337 4.167 ( 0.000 2.337 0.000) 2.337 4.497 ( 0.000 -0.051 0.000) 0.051 4.497 ( 0.000 0.051 0.000) 0.051 5.216 ( 0.000 -9.975 0.000) 9.975 5.216 ( 0.000 9.975 0.000) 9.975 5.575 ( 0.000 -1.064 0.000) 1.064 5.575 ( 0.000 1.064 0.000) 1.064 7.203 ( 0.000 -6.362 0.000) 6.362 7.203 ( 0.000 6.362 0.000) 6.362 7.961 ( 0.000 -8.049 0.000) 8.049 7.961 ( 0.000 8.049 0.000) 8.049 8.030 ( 0.000 -6.405 0.000) 6.405 8.030 ( 0.000 6.405 0.000) 6.405 10.043 ( 0.000 -1.674 0.000) 1.674 10.043 ( 0.000 1.674 0.000) 1.674 10.426 ( 0.000 -15.837 0.000) 15.837 10.426 ( 0.000 15.837 0.000) 15.837 10.775 ( 0.000 -14.408 0.000) 14.408 10.775 ( 0.000 14.408 0.000) 14.408 ======================= Grid point 30 (18/90) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -3.950 -7.698 4.751) 9.871 1.263 ( -3.951 7.698 4.751) 9.871 1.626 ( 4.297 -6.885 -0.195) 8.118 1.626 ( 4.297 6.885 -0.195) 8.118 2.082 ( 3.972 -5.076 3.354) 7.266 2.082 ( 3.972 5.076 3.354) 7.266 2.245 ( -2.008 -5.889 -0.501) 6.242 2.245 ( -2.008 5.889 -0.501) 6.242 2.518 ( -1.832 -8.477 1.601) 8.819 2.518 ( -1.832 8.477 1.601) 8.819 2.661 ( -3.679 -4.983 0.052) 6.194 2.661 ( -3.679 4.983 0.052) 6.194 2.857 ( -2.209 -1.960 -0.546) 3.003 2.857 ( -2.209 1.960 -0.546) 3.003 3.034 ( 2.851 -3.622 -0.371) 4.625 3.034 ( 2.851 3.622 -0.371) 4.625 3.104 ( -2.081 -4.505 -0.788) 5.024 3.104 ( -2.081 4.505 -0.788) 5.024 3.270 ( -2.349 -2.166 -1.749) 3.643 3.270 ( -2.349 2.166 -1.749) 3.643 3.363 ( -3.180 -13.552 -0.999) 13.956 3.363 ( -3.180 13.552 -0.999) 13.956 3.504 ( 0.044 -2.817 0.033) 2.818 3.504 ( 0.044 2.817 0.033) 2.818 3.788 ( 1.697 -1.048 0.210) 2.005 3.788 ( 1.697 1.048 0.210) 2.005 3.952 ( 4.035 -1.090 3.125) 5.219 3.952 ( 4.035 1.090 3.125) 5.219 4.146 ( 0.253 -3.139 -6.780) 7.476 4.146 ( 0.253 3.139 -6.780) 7.476 4.498 ( 0.124 -0.890 -0.119) 0.906 4.498 ( 0.124 0.890 -0.119) 0.906 5.230 ( 0.758 -10.038 1.533) 10.183 5.230 ( 0.758 10.038 1.533) 10.183 5.580 ( 0.160 -1.400 0.844) 1.643 5.580 ( 0.160 1.400 0.844) 1.643 7.206 ( 0.189 -6.462 0.095) 6.466 7.206 ( 0.189 6.462 0.095) 6.466 7.966 ( 0.391 -8.038 0.280) 8.052 7.966 ( 0.391 8.038 0.280) 8.052 8.033 ( 0.380 -5.920 -0.235) 5.936 8.033 ( 0.380 5.920 -0.235) 5.936 10.047 ( 0.328 -1.921 -0.232) 1.963 10.047 ( 0.328 1.921 -0.232) 1.963 10.434 ( 0.560 -15.263 0.673) 15.288 10.434 ( 0.560 15.263 0.673) 15.288 10.750 ( -1.742 -14.414 -1.363) 14.583 10.750 ( -1.742 14.414 -1.363) 14.583 ======================= Grid point 32 (19/90) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -0.173 -9.042 6.456) 11.112 1.260 ( -0.173 9.042 6.456) 11.112 1.669 ( -0.859 -5.571 0.717) 5.682 1.669 ( -0.859 5.571 0.717) 5.682 2.179 ( 3.266 -3.104 2.741) 5.274 2.179 ( 3.266 3.104 2.741) 5.274 2.252 ( 4.160 -5.966 -0.398) 7.284 2.252 ( 4.160 5.966 -0.398) 7.284 2.500 ( -4.277 -5.460 0.042) 6.936 2.500 ( -4.277 5.460 0.042) 6.936 2.570 ( -2.548 -6.676 2.960) 7.735 2.570 ( -2.548 6.676 2.960) 7.735 2.815 ( -0.928 -2.770 -3.818) 4.808 2.815 ( -0.928 2.770 -3.818) 4.808 3.015 ( -5.510 -4.222 2.930) 7.535 3.015 ( -5.510 4.222 2.930) 7.535 3.053 ( -1.481 -1.975 -3.344) 4.157 3.053 ( -1.481 1.975 -3.344) 4.157 3.210 ( -3.485 -1.507 -1.080) 3.947 3.210 ( -3.485 1.507 -1.080) 3.947 3.276 ( -2.559 -7.104 -3.101) 8.163 3.276 ( -2.559 7.104 -3.101) 8.163 3.572 ( 4.529 -11.129 5.146) 13.071 3.572 ( 4.529 11.129 5.146) 13.071 3.852 ( 4.240 -2.644 0.436) 5.016 3.852 ( 4.240 2.644 0.436) 5.016 4.019 ( 1.084 -1.299 -0.480) 1.758 4.019 ( 1.084 1.299 -0.480) 1.758 4.090 ( -0.028 -4.316 -7.753) 8.873 4.090 ( -0.028 4.316 -7.753) 8.873 4.503 ( 0.299 -2.354 0.388) 2.404 4.503 ( 0.299 2.354 0.388) 2.404 5.259 ( 0.882 -10.191 1.547) 10.345 5.259 ( 0.882 10.191 1.547) 10.345 5.590 ( 0.126 -2.086 1.054) 2.341 5.590 ( 0.126 2.086 1.054) 2.341 7.211 ( 0.265 -6.684 0.137) 6.691 7.211 ( 0.265 6.684 0.137) 6.691 7.977 ( 0.522 -8.524 0.259) 8.544 7.977 ( 0.522 8.524 0.259) 8.544 8.039 ( 0.428 -5.314 -0.184) 5.334 8.039 ( 0.428 5.314 -0.184) 5.334 10.045 ( -0.368 -3.166 -0.324) 3.204 10.045 ( -0.368 3.166 -0.324) 3.204 10.450 ( 0.398 -13.070 0.650) 13.092 10.450 ( 0.398 13.070 0.650) 13.092 10.708 ( -1.155 -12.698 -1.498) 12.838 10.708 ( -1.155 12.698 -1.498) 12.838 ======================= Grid point 34 (20/90) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 1.302 -4.942 4.004) 6.493 1.321 ( 1.302 4.942 4.004) 6.493 1.632 ( -1.527 -10.038 -0.573) 10.170 1.632 ( -1.527 10.038 -0.573) 10.170 2.232 ( 0.987 -3.366 0.833) 3.605 2.232 ( 0.987 3.366 0.833) 3.605 2.317 ( -1.606 -1.626 0.650) 2.376 2.317 ( -1.606 1.626 0.650) 2.376 2.415 ( 1.881 -0.556 -2.062) 2.846 2.415 ( 1.881 0.556 -2.062) 2.846 2.632 ( 3.777 -5.947 3.703) 7.958 2.632 ( 3.777 5.947 3.703) 7.958 2.767 ( -1.963 -1.137 -1.471) 2.704 2.767 ( -1.963 1.137 -1.471) 2.704 2.901 ( -6.610 -3.881 0.651) 7.693 2.901 ( -6.610 3.881 0.651) 7.693 3.004 ( -0.478 -0.783 -2.829) 2.974 3.004 ( -0.478 0.783 -2.829) 2.974 3.157 ( -1.137 -0.690 0.007) 1.330 3.157 ( -1.137 0.690 0.007) 1.330 3.230 ( -0.970 -6.426 -1.098) 6.591 3.230 ( -0.970 6.426 -1.098) 6.591 3.702 ( 3.710 -8.269 5.074) 10.387 3.702 ( 3.710 8.269 5.074) 10.387 3.918 ( 1.296 -3.783 -1.248) 4.190 3.918 ( 1.296 3.783 -1.248) 4.190 3.983 ( -0.080 -4.784 -3.971) 6.218 3.983 ( -0.080 4.784 -3.971) 6.218 4.064 ( -0.417 -0.731 -1.039) 1.337 4.064 ( -0.417 0.731 -1.039) 1.337 4.511 ( 0.170 -3.085 0.341) 3.108 4.511 ( 0.170 3.085 0.341) 3.108 5.279 ( 0.375 -10.294 0.584) 10.318 5.279 ( 0.375 10.294 0.584) 10.318 5.597 ( 0.028 -2.571 0.468) 2.614 5.597 ( 0.028 2.571 0.468) 2.614 7.216 ( 0.129 -6.858 0.067) 6.860 7.216 ( 0.129 6.858 0.067) 6.860 7.986 ( 0.241 -9.521 0.081) 9.525 7.986 ( 0.241 9.521 0.081) 9.525 8.045 ( 0.178 -5.691 -0.041) 5.694 8.045 ( 0.178 5.691 -0.041) 5.694 10.033 ( -0.459 -4.856 -0.166) 4.880 10.033 ( -0.459 4.856 -0.166) 4.880 10.456 ( 0.010 -10.226 0.180) 10.227 10.456 ( 0.010 10.226 0.180) 10.227 10.691 ( -0.074 -9.120 -0.544) 9.137 10.691 ( -0.074 9.120 -0.544) 9.137 ======================= Grid point 63 (21/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 6.327 0.000 14.560) 15.875 0.422 ( -16.546 0.000 18.977) 25.177 0.817 ( 5.790 0.000 35.141) 35.615 1.173 ( 5.463 0.000 6.416) 8.427 1.673 ( 0.714 0.000 -7.201) 7.236 1.936 ( -3.961 0.000 -2.823) 4.864 2.014 ( 1.596 0.000 0.301) 1.624 2.149 ( 4.617 0.000 8.734) 9.880 2.228 ( 3.335 0.000 5.976) 6.843 2.395 ( 5.052 0.000 -3.458) 6.122 2.741 ( -7.968 0.000 3.192) 8.584 2.837 ( -0.672 0.000 -2.764) 2.844 2.916 ( 4.389 0.000 -3.565) 5.654 3.004 ( -3.502 0.000 -0.395) 3.525 3.008 ( -1.666 0.000 1.826) 2.472 3.130 ( -4.294 0.000 -2.735) 5.091 3.220 ( -0.228 0.000 1.599) 1.615 3.254 ( -0.847 0.000 -8.916) 8.956 3.339 ( 1.311 0.000 -0.282) 1.340 3.341 ( -6.769 0.000 -13.062) 14.712 3.418 ( 5.324 0.000 -5.793) 7.868 3.516 ( 1.705 0.000 -0.281) 1.728 3.584 ( -1.597 0.000 -1.949) 2.520 3.631 ( -0.113 0.000 5.603) 5.604 3.738 ( -2.855 0.000 -0.036) 2.855 3.917 ( 1.719 0.000 -3.694) 4.074 3.919 ( 0.068 0.000 0.979) 0.981 3.930 ( -1.359 0.000 -1.667) 2.151 4.333 ( -2.196 0.000 1.992) 2.965 4.375 ( -2.913 0.000 2.009) 3.539 4.473 ( 1.351 0.000 -2.760) 3.073 4.671 ( 6.380 0.000 3.965) 7.512 4.966 ( 0.738 0.000 2.237) 2.356 5.169 ( 0.016 0.000 -0.303) 0.303 5.568 ( 1.049 0.000 3.108) 3.280 5.716 ( 0.881 0.000 0.695) 1.122 6.406 ( -0.025 0.000 0.057) 0.062 6.845 ( 0.032 0.000 0.007) 0.032 7.272 ( -0.025 0.000 0.097) 0.100 7.996 ( -0.092 0.000 -0.245) 0.261 8.014 ( 0.045 0.000 -0.157) 0.163 8.892 ( 0.092 0.000 -0.112) 0.145 8.963 ( -0.136 0.000 0.142) 0.197 9.600 ( -5.685 0.000 1.072) 5.785 10.292 ( -0.189 0.000 -0.112) 0.220 10.423 ( 1.345 0.000 -0.535) 1.447 11.258 ( -2.116 0.000 1.295) 2.481 11.592 ( 4.015 0.000 -2.656) 4.813 ======================= Grid point 64 (22/90) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 17.944 0.000 6.686) 19.149 0.575 ( 10.253 0.000 9.367) 13.888 1.174 ( 7.554 0.000 20.195) 21.562 1.333 ( 3.950 0.000 14.195) 14.735 1.643 ( 2.288 0.000 -8.880) 9.170 1.847 ( -4.595 0.000 0.198) 4.599 2.001 ( -2.045 0.000 -0.237) 2.059 2.298 ( 3.838 0.000 9.634) 10.370 2.301 ( 0.617 0.000 3.734) 3.784 2.527 ( 9.669 0.000 -0.418) 9.678 2.624 ( -6.995 0.000 0.500) 7.013 2.818 ( 0.448 0.000 -2.289) 2.332 2.857 ( -11.089 0.000 0.619) 11.107 2.921 ( -3.019 0.000 -4.528) 5.442 3.016 ( 1.564 0.000 2.150) 2.659 3.022 ( -6.562 0.000 -7.449) 9.927 3.050 ( -0.080 0.000 -7.141) 7.141 3.219 ( -0.753 0.000 1.501) 1.680 3.250 ( 0.124 0.000 -5.573) 5.574 3.361 ( 0.689 0.000 -0.385) 0.789 3.405 ( -0.288 0.000 -8.763) 8.768 3.509 ( -2.815 0.000 -2.522) 3.780 3.573 ( 2.591 0.000 0.225) 2.601 3.706 ( -0.094 0.000 1.123) 1.127 3.735 ( 2.833 0.000 3.350) 4.387 3.909 ( 1.284 0.000 -1.952) 2.336 3.926 ( -0.096 0.000 0.753) 0.760 4.030 ( 7.607 0.000 -1.466) 7.747 4.299 ( -2.701 0.000 0.215) 2.709 4.368 ( -1.280 0.000 0.337) 1.323 4.413 ( -1.465 0.000 -1.969) 2.455 4.735 ( -1.563 0.000 1.403) 2.100 4.996 ( 0.754 0.000 1.967) 2.106 5.164 ( -0.329 0.000 -0.287) 0.436 5.629 ( 2.687 0.000 2.193) 3.468 5.741 ( 1.190 0.000 0.758) 1.411 6.406 ( -0.003 0.000 0.058) 0.058 6.846 ( 0.055 0.000 0.002) 0.055 7.270 ( -0.204 0.000 0.095) 0.225 7.992 ( -0.048 0.000 -0.218) 0.223 8.015 ( 0.121 0.000 -0.154) 0.196 8.893 ( 0.107 0.000 -0.125) 0.164 8.961 ( -0.133 0.000 0.160) 0.208 9.396 ( -13.658 0.000 9.052) 16.386 10.298 ( 0.761 0.000 -0.367) 0.845 10.434 ( 0.217 0.000 -1.351) 1.369 11.259 ( 1.018 0.000 2.079) 2.315 11.657 ( 3.968 0.000 -5.970) 7.168 ======================= Grid point 65 (23/90) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 8.327 0.000 2.269) 8.631 0.984 ( 21.856 0.000 -2.344) 21.982 1.330 ( 0.973 0.000 5.844) 5.924 1.469 ( -2.306 0.000 11.697) 11.922 1.637 ( 2.619 0.000 -6.586) 7.088 1.767 ( -3.994 0.000 1.461) 4.253 1.964 ( 1.339 0.000 -9.047) 9.145 2.311 ( -1.059 0.000 1.994) 2.258 2.415 ( -1.489 0.000 12.354) 12.443 2.456 ( -5.957 0.000 -4.685) 7.579 2.657 ( -7.912 0.000 0.229) 7.915 2.743 ( 8.698 0.000 6.601) 10.919 2.776 ( -4.772 0.000 -5.516) 7.293 2.828 ( 1.399 0.000 -0.447) 1.468 2.955 ( -0.271 0.000 -7.751) 7.756 3.025 ( 1.254 0.000 2.254) 2.580 3.086 ( 3.466 0.000 2.106) 4.056 3.210 ( -1.311 0.000 1.121) 1.725 3.237 ( 0.824 0.000 -1.427) 1.648 3.351 ( 0.289 0.000 -2.456) 2.473 3.365 ( 0.554 0.000 -0.353) 0.657 3.429 ( -3.193 0.000 -2.866) 4.290 3.626 ( 2.233 0.000 0.349) 2.261 3.689 ( -0.140 0.000 -2.098) 2.103 3.818 ( 1.164 0.000 4.390) 4.542 3.919 ( 0.568 0.000 -0.283) 0.635 3.925 ( -0.370 0.000 0.347) 0.507 4.084 ( -0.175 0.000 -6.011) 6.013 4.198 ( -5.745 0.000 0.049) 5.745 4.370 ( 2.904 0.000 0.716) 2.991 4.443 ( 2.422 0.000 1.371) 2.783 4.687 ( -3.678 0.000 0.865) 3.778 5.014 ( 0.047 0.000 0.531) 0.533 5.155 ( -0.385 0.000 -0.188) 0.428 5.680 ( 1.752 0.000 -0.322) 1.781 5.766 ( 0.978 0.000 -0.050) 0.979 6.407 ( 0.005 0.000 0.062) 0.062 6.847 ( 0.047 0.000 -0.033) 0.058 7.266 ( -0.251 0.000 0.082) 0.264 7.992 ( 0.073 0.000 -0.040) 0.083 8.016 ( 0.143 0.000 -0.140) 0.200 8.894 ( 0.090 0.000 -0.183) 0.204 8.960 ( -0.098 0.000 0.252) 0.271 9.226 ( -10.011 0.000 5.210) 11.286 10.308 ( 0.639 0.000 -0.541) 0.837 10.425 ( -0.062 0.000 -0.898) 0.900 11.316 ( 2.050 0.000 4.181) 4.656 11.664 ( 1.818 0.000 -5.732) 6.014 ======================= Grid point 66 (24/90) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.711 0.000 -5.191) 5.240 1.182 ( -2.843 0.000 -3.844) 4.781 1.395 ( -7.419 0.000 -2.384) 7.793 1.425 ( 9.317 0.000 -1.549) 9.445 1.644 ( 0.891 0.000 0.245) 0.924 1.740 ( 1.240 0.000 -1.199) 1.725 1.896 ( 2.643 0.000 -17.162) 17.364 2.278 ( -6.511 0.000 -5.781) 8.707 2.311 ( -0.794 0.000 3.435) 3.525 2.442 ( -4.173 0.000 6.196) 7.470 2.632 ( -4.689 0.000 -1.505) 4.925 2.670 ( 1.017 0.000 11.700) 11.744 2.842 ( 0.248 0.000 -1.192) 1.217 2.886 ( -0.468 0.000 2.995) 3.032 2.939 ( 4.884 0.000 -4.274) 6.490 3.119 ( 3.820 0.000 7.815) 8.698 3.151 ( 1.659 0.000 1.513) 2.245 3.187 ( -1.573 0.000 0.475) 1.643 3.262 ( 2.187 0.000 3.677) 4.279 3.359 ( -1.758 0.000 -2.539) 3.088 3.396 ( 2.227 0.000 1.729) 2.820 3.408 ( 4.349 0.000 4.938) 6.580 3.648 ( 0.115 0.000 -1.087) 1.093 3.681 ( 1.437 0.000 -2.984) 3.312 3.814 ( -2.797 0.000 -0.026) 2.798 3.921 ( -0.188 0.000 0.315) 0.366 3.928 ( 0.326 0.000 -1.090) 1.137 4.035 ( 1.085 0.000 -2.207) 2.459 4.115 ( -3.693 0.000 0.454) 3.721 4.438 ( 2.434 0.000 1.598) 2.912 4.500 ( 2.173 0.000 1.475) 2.626 4.612 ( -4.175 0.000 -1.056) 4.306 5.002 ( -0.866 0.000 -1.441) 1.681 5.149 ( -0.100 0.000 -0.082) 0.129 5.691 ( 0.352 0.000 -2.038) 2.068 5.771 ( -0.037 0.000 -1.173) 1.173 6.407 ( -0.009 0.000 0.065) 0.066 6.847 ( 0.015 0.000 -0.070) 0.071 7.263 ( -0.132 0.000 0.068) 0.149 7.994 ( 0.144 0.000 0.159) 0.214 8.018 ( 0.097 0.000 -0.124) 0.157 8.893 ( 0.055 0.000 -0.240) 0.246 8.961 ( -0.060 0.000 0.346) 0.351 9.090 ( -6.045 0.000 0.463) 6.063 10.318 ( 0.675 0.000 -0.008) 0.675 10.424 ( 0.380 0.000 -0.231) 0.445 11.364 ( -0.700 0.000 4.119) 4.178 11.670 ( 2.749 0.000 -3.876) 4.752 ======================= Grid point 67 (25/90) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -8.482 0.000 -7.585) 11.379 0.978 ( -11.197 0.000 -10.606) 15.422 1.174 ( -10.597 0.000 -6.735) 12.556 1.492 ( -0.194 0.000 -5.194) 5.197 1.688 ( 2.549 0.000 0.821) 2.678 1.784 ( 4.406 0.000 -1.031) 4.525 1.873 ( 1.113 0.000 -7.168) 7.254 2.116 ( -6.162 0.000 -4.823) 7.825 2.308 ( -3.274 0.000 3.851) 5.055 2.445 ( -1.396 0.000 -1.163) 1.817 2.509 ( 1.020 0.000 1.627) 1.921 2.811 ( 0.307 0.000 8.269) 8.275 2.836 ( 1.135 0.000 -1.481) 1.866 2.932 ( 5.285 0.000 3.986) 6.620 2.962 ( -0.059 0.000 0.518) 0.521 3.132 ( -4.587 0.000 1.517) 4.831 3.183 ( 0.793 0.000 -0.178) 0.813 3.233 ( 4.473 0.000 3.765) 5.847 3.339 ( 0.908 0.000 -1.208) 1.511 3.383 ( 4.064 0.000 7.918) 8.900 3.464 ( 2.940 0.000 2.106) 3.616 3.538 ( 3.644 0.000 6.079) 7.087 3.619 ( -1.574 0.000 -2.164) 2.676 3.724 ( 2.950 0.000 0.433) 2.982 3.726 ( -3.151 0.000 -4.312) 5.340 3.909 ( -1.770 0.000 0.757) 1.925 3.922 ( -0.099 0.000 0.313) 0.328 4.014 ( -2.115 0.000 -2.883) 3.576 4.170 ( 9.233 0.000 -0.203) 9.235 4.465 ( -1.771 0.000 1.163) 2.119 4.485 ( -5.577 0.000 0.823) 5.638 4.568 ( 1.983 0.000 0.109) 1.986 4.968 ( -1.011 0.000 -2.563) 2.755 5.150 ( 0.317 0.000 -0.048) 0.320 5.667 ( -1.147 0.000 -2.478) 2.731 5.750 ( -1.014 0.000 -1.751) 2.023 6.407 ( -0.034 0.000 0.067) 0.075 6.847 ( -0.019 0.000 -0.083) 0.085 7.262 ( 0.064 0.000 0.064) 0.090 7.998 ( 0.092 0.000 0.244) 0.261 8.018 ( 0.016 0.000 -0.120) 0.121 8.892 ( 0.030 0.000 -0.248) 0.250 8.963 ( -0.048 0.000 0.366) 0.369 9.022 ( -0.529 0.000 -0.694) 0.872 10.329 ( 0.114 0.000 0.427) 0.442 10.433 ( 0.679 0.000 -0.242) 0.721 11.349 ( -2.994 0.000 3.236) 4.409 11.707 ( 2.957 0.000 -2.639) 3.964 ======================= Grid point 68 (26/90) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -12.896 0.000 -4.837) 13.773 0.650 ( -14.501 0.000 -7.334) 16.250 0.982 ( -4.181 0.000 -5.560) 6.957 1.346 ( -17.311 0.000 6.926) 18.645 1.718 ( 0.939 0.000 -1.828) 2.055 1.811 ( 0.938 0.000 -4.594) 4.689 1.902 ( 7.697 0.000 0.012) 7.697 2.030 ( -1.196 0.000 0.658) 1.365 2.223 ( -7.134 0.000 1.742) 7.343 2.372 ( -0.404 0.000 -5.717) 5.731 2.700 ( 11.968 0.000 1.000) 12.010 2.824 ( -0.748 0.000 2.172) 2.297 2.880 ( 3.277 0.000 -0.424) 3.304 2.964 ( -0.447 0.000 3.897) 3.922 3.045 ( -5.180 0.000 2.696) 5.840 3.086 ( 5.961 0.000 1.124) 6.066 3.189 ( 0.171 0.000 -0.300) 0.346 3.340 ( 3.540 0.000 2.745) 4.479 3.354 ( 0.711 0.000 -0.653) 0.965 3.477 ( 0.093 0.000 3.614) 3.615 3.505 ( 0.439 0.000 -1.368) 1.437 3.556 ( -3.630 0.000 -11.461) 12.022 3.590 ( 0.256 0.000 0.215) 0.334 3.625 ( -0.831 0.000 6.079) 6.136 3.790 ( -0.654 0.000 0.250) 0.700 3.919 ( -0.361 0.000 0.225) 0.426 3.940 ( 4.193 0.000 4.720) 6.314 3.992 ( 1.815 0.000 1.428) 2.309 4.269 ( -3.282 0.000 -8.395) 9.014 4.398 ( 5.046 0.000 -1.621) 5.300 4.444 ( -3.797 0.000 3.436) 5.121 4.620 ( 2.159 0.000 2.202) 3.084 4.939 ( -0.370 0.000 -1.359) 1.409 5.158 ( 0.538 0.000 -0.110) 0.549 5.616 ( -2.585 0.000 -1.593) 3.037 5.716 ( -1.191 0.000 -1.158) 1.661 6.407 ( -0.049 0.000 0.065) 0.082 6.846 ( -0.029 0.000 -0.061) 0.067 7.266 ( 0.190 0.000 0.073) 0.203 8.000 ( -0.016 0.000 0.139) 0.140 8.017 ( -0.038 0.000 -0.129) 0.134 8.891 ( 0.033 0.000 -0.207) 0.210 8.964 ( -0.071 0.000 0.303) 0.312 9.076 ( 5.290 0.000 4.829) 7.163 10.323 ( -0.934 0.000 0.039) 0.935 10.441 ( 0.494 0.000 -0.964) 1.083 11.316 ( -2.820 0.000 3.648) 4.611 11.724 ( 1.043 0.000 -4.699) 4.813 ======================= Grid point 69 (27/90) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.259 ( -10.015 0.000 6.085) 11.718 0.480 ( -5.931 0.000 23.893) 24.618 0.832 ( -18.741 0.000 7.463) 20.173 1.088 ( -5.834 0.000 7.791) 9.733 1.706 ( 0.214 0.000 -4.163) 4.169 1.900 ( 8.547 0.000 -0.357) 8.554 2.015 ( 2.247 0.000 -5.799) 6.219 2.051 ( 0.774 0.000 5.052) 5.111 2.130 ( -1.713 0.000 7.297) 7.495 2.354 ( 2.724 0.000 -5.551) 6.183 2.848 ( 1.865 0.000 -0.649) 1.975 2.857 ( 0.578 0.000 2.461) 2.528 2.885 ( -1.579 0.000 -2.953) 3.349 2.996 ( 3.351 0.000 -0.202) 3.357 3.017 ( -1.259 0.000 4.637) 4.805 3.162 ( 3.030 0.000 -4.523) 5.444 3.199 ( 1.008 0.000 0.683) 1.217 3.341 ( -5.503 0.000 -10.280) 11.660 3.342 ( -0.869 0.000 -1.179) 1.465 3.384 ( 0.125 0.000 0.212) 0.246 3.457 ( -2.435 0.000 -3.282) 4.087 3.497 ( 0.862 0.000 -1.778) 1.976 3.605 ( 0.143 0.000 0.126) 0.190 3.670 ( -1.077 0.000 0.797) 1.340 3.784 ( 0.418 0.000 2.758) 2.789 3.915 ( -0.247 0.000 0.574) 0.625 3.970 ( -0.314 0.000 -6.333) 6.341 4.047 ( -4.999 0.000 -8.522) 9.880 4.229 ( 8.450 0.000 14.240) 16.558 4.385 ( -4.218 0.000 3.651) 5.578 4.462 ( 2.048 0.000 -6.950) 7.245 4.639 ( -1.619 0.000 -1.562) 2.250 4.939 ( 0.376 0.000 1.506) 1.553 5.167 ( 0.400 0.000 -0.223) 0.457 5.563 ( -2.067 0.000 0.988) 2.291 5.700 ( 0.015 0.000 0.383) 0.383 6.406 ( -0.045 0.000 0.061) 0.076 6.845 ( -0.006 0.000 -0.021) 0.022 7.270 ( 0.150 0.000 0.088) 0.174 7.999 ( -0.126 0.000 -0.112) 0.169 8.015 ( -0.026 0.000 -0.146) 0.148 8.891 ( 0.060 0.000 -0.149) 0.161 8.964 ( -0.109 0.000 0.206) 0.233 9.335 ( 15.943 0.000 14.878) 21.807 10.301 ( -0.905 0.000 -0.175) 0.922 10.434 ( -0.447 0.000 -1.736) 1.793 11.291 ( -2.507 0.000 3.289) 4.136 11.662 ( -3.260 0.000 -8.280) 8.899 ======================= Grid point 70 (28/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -13.735 8.056 16.009) 22.580 0.732 ( 1.138 20.548 12.449) 24.052 0.918 ( 3.899 11.469 25.700) 28.411 1.322 ( 6.394 15.199 2.100) 16.623 1.743 ( 2.178 5.766 -4.454) 7.604 1.980 ( 4.317 0.557 -2.241) 4.896 2.080 ( -1.008 2.896 2.821) 4.167 2.157 ( 0.571 5.567 4.574) 7.227 2.250 ( 2.629 0.456 -1.104) 2.887 2.466 ( 3.999 3.025 -4.877) 6.995 2.725 ( -6.016 -1.274 4.972) 7.908 2.845 ( -1.525 -2.624 -0.064) 3.036 2.905 ( 1.452 -0.291 -3.786) 4.065 2.939 ( -2.110 -4.952 1.692) 5.643 2.972 ( -0.965 -2.172 -1.043) 2.595 3.130 ( -3.347 0.036 -3.801) 5.065 3.187 ( -7.436 -4.477 -6.847) 11.056 3.243 ( 3.253 -3.286 -6.587) 8.048 3.273 ( 0.599 1.256 -0.884) 1.649 3.372 ( -1.147 0.698 -6.390) 6.530 3.457 ( 4.031 2.328 -3.639) 5.908 3.534 ( 0.021 0.294 0.566) 0.638 3.556 ( -2.003 -1.806 0.214) 2.706 3.638 ( 1.828 0.939 2.275) 3.066 3.734 ( -1.100 -1.471 0.742) 1.981 3.795 ( -0.414 -5.454 -0.829) 5.532 3.874 ( -0.566 -2.777 0.923) 2.981 3.961 ( 0.174 1.195 -0.678) 1.385 4.264 ( 1.278 -6.766 3.472) 7.712 4.370 ( -2.971 1.580 0.903) 3.484 4.418 ( 0.078 2.974 2.472) 3.868 4.684 ( 1.803 3.879 2.748) 5.084 4.779 ( 0.539 -12.982 2.377) 13.209 5.293 ( 0.204 7.395 0.318) 7.404 5.568 ( 0.771 0.457 2.496) 2.652 5.674 ( 0.845 -2.947 1.094) 3.255 6.512 ( -0.131 8.991 0.847) 9.031 7.225 ( 0.493 15.873 -8.119) 17.836 7.264 ( -0.214 -0.314 -0.206) 0.432 7.999 ( -0.124 0.204 -0.060) 0.246 8.039 ( 0.098 2.103 -0.046) 2.106 8.811 ( 0.354 -11.508 2.026) 11.690 9.240 ( 1.485 20.671 -7.769) 22.133 9.762 ( -3.361 11.133 -4.658) 12.527 10.266 ( 0.274 -1.869 -0.667) 2.003 10.374 ( 0.598 -4.418 -0.478) 4.483 11.202 ( -1.937 -5.257 1.736) 5.865 11.518 ( 2.010 -6.716 -2.702) 7.513 ======================= Grid point 71 (29/90) ======================= q-point: ( 0.14 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 12.742 5.227 7.456) 15.661 0.901 ( 7.270 19.554 10.249) 23.244 1.190 ( 5.642 2.895 17.437) 18.555 1.439 ( 2.961 11.531 5.202) 12.992 1.751 ( 1.618 7.111 -4.347) 8.490 1.992 ( -3.446 11.062 -3.009) 11.971 2.005 ( -2.143 0.761 -0.387) 2.307 2.240 ( 2.309 -2.423 1.676) 3.743 2.317 ( 1.505 0.113 10.855) 10.959 2.571 ( 9.368 4.179 -0.275) 10.262 2.625 ( -7.368 -0.263 2.417) 7.759 2.808 ( -8.038 -5.271 1.222) 9.690 2.843 ( 0.024 1.355 -1.667) 2.148 2.891 ( -2.719 -1.934 -5.903) 6.781 2.937 ( -2.242 -4.369 -0.694) 4.959 2.987 ( -3.007 -2.602 -7.298) 8.311 3.086 ( -0.047 1.590 -2.662) 3.101 3.233 ( -0.814 -1.010 -2.036) 2.414 3.265 ( 0.240 2.088 -4.130) 4.634 3.331 ( 0.410 -3.157 -0.912) 3.311 3.417 ( -3.121 -0.419 -4.868) 5.797 3.501 ( -1.625 0.645 -3.246) 3.687 3.582 ( 2.164 0.566 0.884) 2.405 3.707 ( 2.518 -2.589 0.553) 3.654 3.725 ( -1.039 1.366 -0.874) 1.926 3.825 ( 1.614 -6.510 0.858) 6.761 3.878 ( 3.771 -2.547 -1.080) 4.677 4.031 ( 3.718 0.263 1.991) 4.225 4.248 ( -2.268 -6.921 -3.468) 8.067 4.334 ( -1.732 0.853 2.358) 3.048 4.439 ( 0.775 2.729 1.824) 3.372 4.731 ( 0.188 2.736 2.640) 3.807 4.811 ( 1.175 -12.318 1.843) 12.511 5.296 ( -0.136 7.617 0.224) 7.622 5.616 ( 2.121 -0.336 2.096) 3.000 5.704 ( 1.378 -3.038 0.963) 3.472 6.514 ( -0.313 9.244 0.696) 9.275 7.146 ( -2.778 18.130 -4.763) 18.950 7.262 ( -0.024 -0.612 0.016) 0.612 7.996 ( -0.158 0.206 -0.057) 0.266 8.045 ( 0.458 2.433 -0.054) 2.477 8.813 ( -1.426 -11.318 1.639) 11.525 9.177 ( -2.314 20.887 -6.596) 22.026 9.574 ( -11.216 13.758 4.557) 18.326 10.278 ( 1.299 -1.580 -0.687) 2.157 10.382 ( 0.476 -4.526 -1.092) 4.681 11.204 ( 0.780 -5.069 2.517) 5.713 11.554 ( 3.035 -8.883 -4.473) 10.398 ======================= Grid point 72 (30/90) ======================= q-point: ( 0.29 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 17.326 4.043 0.854) 17.812 1.113 ( 8.808 13.786 3.427) 16.714 1.339 ( 1.896 0.127 7.505) 7.742 1.472 ( -2.997 6.507 1.514) 7.322 1.747 ( 1.173 4.921 -3.889) 6.381 1.859 ( -6.739 8.405 -1.519) 10.880 1.998 ( 2.124 3.727 -8.314) 9.356 2.260 ( -2.144 -2.354 0.631) 3.246 2.407 ( -0.198 -0.890 10.711) 10.750 2.493 ( -5.515 1.933 -0.885) 5.910 2.658 ( -5.724 -0.145 0.856) 5.790 2.732 ( -6.151 -2.931 -3.703) 7.755 2.776 ( 6.858 2.006 5.521) 9.030 2.863 ( 2.056 1.403 -1.466) 2.888 2.939 ( 3.311 -4.192 -1.567) 5.567 2.965 ( 0.854 0.508 -0.207) 1.015 3.082 ( 0.691 -0.957 1.844) 2.189 3.218 ( -3.267 1.188 1.121) 3.653 3.239 ( 1.827 -1.057 -2.546) 3.307 3.335 ( 0.747 -1.520 -1.996) 2.618 3.358 ( 0.194 -2.975 -0.361) 3.003 3.422 ( -3.451 1.020 -3.500) 5.020 3.628 ( 2.225 0.662 -0.676) 2.418 3.685 ( -0.790 -1.032 -2.540) 2.853 3.756 ( 0.601 -7.230 2.901) 7.813 3.852 ( 0.615 -2.517 0.929) 2.753 3.934 ( 2.352 -0.349 -1.554) 2.841 4.052 ( -1.485 -1.305 -2.745) 3.383 4.185 ( -2.980 -1.216 0.969) 3.362 4.352 ( 2.915 -1.079 0.264) 3.120 4.475 ( 1.623 1.591 1.458) 2.700 4.724 ( -1.883 4.084 0.934) 4.593 4.838 ( 0.471 -10.863 0.729) 10.898 5.291 ( -0.344 7.614 -0.195) 7.625 5.661 ( 1.570 -1.003 0.040) 1.864 5.732 ( 0.974 -3.119 0.056) 3.268 6.511 ( -0.372 9.158 0.413) 9.175 7.077 ( -1.913 17.318 -1.741) 17.511 7.262 ( 0.031 -0.229 0.138) 0.269 7.995 ( 0.052 0.227 0.062) 0.241 8.053 ( 0.382 2.966 -0.077) 2.992 8.782 ( -2.488 -12.014 0.563) 12.281 9.094 ( -2.219 17.138 -2.977) 17.536 9.440 ( -6.937 15.230 4.580) 17.351 10.298 ( 1.276 -0.741 -0.703) 1.635 10.380 ( 0.208 -3.962 -0.773) 4.042 11.258 ( 1.786 -5.409 4.254) 7.109 11.561 ( 1.608 -9.335 -4.942) 10.684 ======================= Grid point 73 (31/90) ======================= q-point: ( 0.43 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -0.600 15.364 1.015) 15.410 1.211 ( 3.769 1.644 -8.659) 9.585 1.350 ( -7.129 0.245 -1.608) 7.312 1.453 ( 4.848 3.877 1.073) 6.300 1.740 ( -0.052 5.800 -4.259) 7.196 1.758 ( -0.250 2.849 -1.717) 3.336 1.939 ( 2.699 3.563 -15.310) 15.950 2.184 ( -3.984 -1.884 -4.152) 6.055 2.383 ( -4.849 1.128 3.687) 6.195 2.492 ( 0.679 4.402 2.527) 5.121 2.598 ( -5.865 -3.396 -1.383) 6.917 2.648 ( 2.170 -1.827 8.250) 8.724 2.796 ( -1.790 -2.168 0.835) 2.933 2.962 ( -0.578 3.923 -1.854) 4.377 2.976 ( 0.771 3.542 5.327) 6.444 3.051 ( 5.361 -5.133 8.485) 11.273 3.114 ( 0.117 -3.503 2.314) 4.199 3.170 ( -0.750 -0.783 -0.238) 1.110 3.265 ( 3.114 -1.305 -2.119) 3.986 3.322 ( -2.584 -1.339 -1.209) 3.152 3.387 ( 1.513 -2.136 2.449) 3.584 3.410 ( 3.969 -0.742 3.847) 5.578 3.634 ( 0.857 -0.424 -1.058) 1.426 3.696 ( 2.376 0.407 -2.715) 3.631 3.777 ( 0.045 -7.255 2.324) 7.618 3.848 ( -0.900 0.142 -1.062) 1.399 3.950 ( 1.303 0.249 -2.799) 3.098 4.012 ( -0.842 -0.586 0.565) 1.171 4.130 ( -2.737 1.142 0.115) 2.968 4.420 ( 3.074 -1.772 0.710) 3.618 4.507 ( -0.020 -0.465 1.958) 2.012 4.682 ( -2.232 6.455 -1.042) 6.909 4.836 ( -0.664 -10.050 -0.766) 10.101 5.282 ( -0.251 7.461 -0.667) 7.495 5.672 ( 0.215 -1.203 -1.626) 2.034 5.738 ( -0.035 -3.135 -1.029) 3.300 6.506 ( -0.309 8.842 0.159) 8.848 7.049 ( -0.252 16.272 -0.619) 16.286 7.265 ( 0.031 0.256 0.288) 0.387 7.998 ( 0.146 0.275 0.249) 0.399 8.057 ( 0.104 3.237 -0.160) 3.243 8.736 ( -1.967 -12.563 -0.941) 12.751 9.059 ( -0.003 14.756 -1.129) 14.799 9.362 ( -3.844 16.779 2.120) 17.344 10.316 ( 0.892 -0.109 -0.207) 0.922 10.384 ( 0.499 -3.548 -0.124) 3.585 11.300 ( -0.907 -5.979 3.782) 7.132 11.569 ( 2.640 -9.209 -3.118) 10.074 ======================= Grid point 74 (32/90) ======================= q-point: (-0.43 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -11.537 8.357 -5.278) 15.192 1.149 ( -5.356 16.835 -8.889) 19.777 1.174 ( -7.031 3.752 -6.284) 10.149 1.457 ( -3.814 -2.678 -0.831) 4.733 1.738 ( 1.346 3.556 -1.256) 4.004 1.786 ( 4.636 0.634 -6.258) 7.814 1.954 ( 4.713 7.286 -5.177) 10.105 2.063 ( -3.488 -1.673 -6.146) 7.262 2.379 ( 0.086 2.764 3.603) 4.542 2.442 ( -4.693 0.969 -2.543) 5.425 2.540 ( 1.111 2.169 4.092) 4.763 2.768 ( 2.837 -4.616 -3.102) 6.243 2.817 ( 1.851 -0.204 11.103) 11.258 2.917 ( -1.473 -0.071 -0.894) 1.725 2.966 ( -3.296 0.042 4.417) 5.511 3.107 ( -2.026 -3.298 2.054) 4.382 3.180 ( 1.448 -0.448 -1.136) 1.894 3.204 ( 4.875 -3.027 6.751) 8.860 3.289 ( 0.379 -3.335 0.229) 3.364 3.342 ( 4.376 -3.899 0.880) 5.927 3.420 ( 0.018 -4.524 0.955) 4.624 3.523 ( 2.535 -1.025 5.348) 6.007 3.660 ( 0.349 2.844 0.177) 2.871 3.721 ( 1.816 0.402 -1.047) 2.135 3.790 ( 0.753 0.850 -0.091) 1.139 3.824 ( 0.305 -2.672 -0.884) 2.831 3.938 ( -1.395 1.775 -1.087) 2.505 3.992 ( -2.230 -1.995 -0.920) 3.130 4.153 ( 5.931 -0.324 0.362) 5.950 4.463 ( 0.380 -1.290 1.113) 1.746 4.475 ( -4.932 -1.198 1.499) 5.292 4.646 ( -0.281 7.075 -0.829) 7.129 4.805 ( -1.419 -10.183 -1.895) 10.454 5.275 ( 0.161 7.282 -0.783) 7.326 5.649 ( -1.253 -1.122 -2.054) 2.655 5.718 ( -0.983 -3.030 -1.591) 3.560 6.503 ( -0.149 8.573 0.117) 8.575 7.060 ( 1.953 16.581 -0.438) 16.701 7.267 ( -0.032 0.516 0.365) 0.633 8.002 ( 0.006 0.255 0.349) 0.432 8.055 ( -0.144 3.104 -0.227) 3.116 8.708 ( 0.220 -12.651 -1.555) 12.748 9.079 ( 3.029 16.186 -1.058) 16.501 9.328 ( -0.928 17.354 1.883) 17.481 10.325 ( -0.156 -0.430 0.202) 0.500 10.395 ( 0.583 -3.354 -0.126) 3.407 11.281 ( -2.928 -6.376 2.783) 7.548 11.608 ( 2.589 -9.012 -1.784) 9.544 ======================= Grid point 75 (33/90) ======================= q-point: (-0.29 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -11.292 10.350 -1.387) 15.380 0.905 ( -11.966 14.508 -3.169) 19.071 1.065 ( -1.363 12.947 -6.497) 14.550 1.320 ( -12.793 1.485 5.817) 14.131 1.745 ( 0.447 1.857 -1.939) 2.722 1.805 ( 3.890 1.407 -7.437) 8.510 1.976 ( 1.001 2.103 -2.073) 3.118 2.075 ( 6.325 6.357 1.141) 9.040 2.339 ( -6.803 8.655 3.999) 11.713 2.361 ( -0.032 -0.901 -5.194) 5.271 2.695 ( 10.230 -0.615 1.425) 10.348 2.785 ( 1.232 -2.980 -0.298) 3.239 2.875 ( 1.430 0.423 0.447) 1.557 2.905 ( -1.217 -5.970 0.024) 6.093 2.962 ( -1.748 -1.394 5.542) 5.975 3.111 ( 1.504 -2.596 2.040) 3.628 3.195 ( 1.001 0.157 -0.943) 1.384 3.314 ( 1.833 -2.717 1.838) 3.758 3.351 ( 5.000 -2.665 4.476) 7.220 3.404 ( -0.557 -5.735 -1.176) 5.881 3.419 ( 1.628 -5.531 1.448) 5.945 3.531 ( -2.590 0.482 -1.916) 3.258 3.651 ( -3.226 1.826 -3.701) 5.239 3.683 ( -0.463 4.256 1.563) 4.557 3.805 ( -0.515 -6.207 -1.126) 6.329 3.842 ( -1.016 1.707 0.852) 2.161 3.900 ( -0.689 -2.189 -3.859) 4.490 4.001 ( 3.015 1.545 7.039) 7.812 4.244 ( 0.389 -1.857 -4.910) 5.264 4.377 ( -1.838 -0.636 0.127) 1.949 4.462 ( -2.176 0.891 2.839) 3.687 4.651 ( 0.205 4.427 0.914) 4.525 4.768 ( -1.128 -11.506 -0.815) 11.590 5.277 ( 0.481 7.153 -0.480) 7.185 5.601 ( -2.341 -0.524 -1.050) 2.619 5.685 ( -1.210 -2.890 -1.160) 3.341 6.503 ( 0.013 8.531 0.369) 8.539 7.120 ( 4.949 17.535 -1.480) 18.280 7.268 ( -0.081 0.464 0.310) 0.564 8.003 ( -0.138 0.162 0.245) 0.324 8.049 ( -0.290 2.704 -0.188) 2.726 8.726 ( 2.185 -12.752 -0.269) 12.941 9.157 ( 6.519 20.012 -4.119) 21.447 9.374 ( 4.151 18.168 5.758) 19.505 10.311 ( -1.304 -1.088 -0.109) 1.701 10.399 ( 0.124 -3.679 -0.804) 3.768 11.248 ( -2.589 -6.339 3.332) 7.615 11.620 ( 0.167 -9.036 -3.315) 9.626 ======================= Grid point 76 (34/90) ======================= q-point: (-0.14 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -6.126 9.514 17.732) 21.035 0.723 ( -7.219 19.923 6.098) 22.050 0.913 ( -16.379 9.317 9.322) 21.023 1.207 ( 2.188 15.768 1.342) 15.976 1.740 ( 1.093 2.790 -3.321) 4.472 1.878 ( 7.701 0.984 -4.834) 9.146 2.010 ( 2.191 -0.991 3.606) 4.335 2.187 ( 1.953 6.305 -1.428) 6.753 2.235 ( -4.132 8.032 2.551) 9.386 2.389 ( 6.916 1.870 -4.986) 8.729 2.783 ( -0.729 -3.664 0.150) 3.739 2.857 ( -2.558 -1.888 3.448) 4.690 2.882 ( 5.166 -0.182 -0.263) 5.176 2.924 ( 1.821 -4.540 1.082) 5.010 2.963 ( 0.377 -3.181 0.016) 3.203 3.170 ( 2.960 -2.805 -1.432) 4.322 3.213 ( 1.726 1.785 0.457) 2.524 3.300 ( -2.796 -5.679 -1.886) 6.605 3.354 ( -5.008 -0.113 -9.290) 10.555 3.402 ( 0.845 0.476 -1.843) 2.083 3.430 ( 0.628 -2.095 -3.496) 4.124 3.501 ( 2.399 2.902 1.482) 4.046 3.584 ( -1.731 -1.459 -0.280) 2.281 3.668 ( -2.549 -1.589 0.157) 3.008 3.796 ( -0.967 -0.429 -0.092) 1.061 3.820 ( -0.692 -4.590 0.937) 4.736 3.838 ( -4.210 -5.844 3.013) 7.808 4.068 ( -3.903 1.261 -5.798) 7.102 4.174 ( 1.998 -0.471 5.518) 5.887 4.397 ( 0.583 -0.915 1.085) 1.534 4.425 ( -3.100 2.949 1.669) 4.593 4.656 ( -0.035 3.549 0.752) 3.628 4.760 ( -0.209 -12.475 1.886) 12.619 5.285 ( 0.464 7.189 0.016) 7.204 5.561 ( -1.430 0.399 1.039) 1.812 5.664 ( -0.385 -2.852 0.083) 2.879 6.508 ( 0.034 8.690 0.723) 8.720 7.209 ( 5.807 15.522 -5.293) 17.398 7.269 ( 0.040 0.733 -0.159) 0.751 8.001 ( -0.095 0.150 0.053) 0.186 8.042 ( -0.295 2.271 -0.095) 2.292 8.774 ( 2.037 -12.428 1.476) 12.680 9.230 ( 4.933 20.187 -7.234) 22.005 9.608 ( 15.030 17.295 4.278) 23.309 10.281 ( -1.263 -1.634 -0.588) 2.147 10.386 ( -0.669 -4.148 -1.239) 4.380 11.228 ( -2.192 -6.006 3.192) 7.146 11.563 ( -2.695 -7.968 -4.764) 9.667 ======================= Grid point 77 (35/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -7.161 16.300 10.310) 20.574 1.021 ( 0.814 12.583 15.613) 20.069 1.227 ( 2.756 12.899 10.449) 16.828 1.753 ( 1.349 18.673 0.493) 18.729 1.889 ( 6.892 8.272 -4.528) 11.680 1.989 ( 3.589 1.592 -3.854) 5.502 2.063 ( -1.094 -0.115 7.316) 7.398 2.270 ( 1.436 2.524 -0.307) 2.920 2.386 ( -1.782 11.166 1.445) 11.399 2.535 ( 6.635 5.514 0.100) 8.628 2.633 ( -2.413 -7.255 1.888) 7.875 2.730 ( -3.075 -6.655 1.762) 7.540 2.858 ( -1.261 -2.621 -1.009) 3.078 2.888 ( 0.848 -1.796 -2.366) 3.089 2.957 ( -1.502 0.546 -0.624) 1.716 3.040 ( -3.323 -7.719 -1.308) 8.505 3.100 ( -0.304 -3.305 -3.735) 4.997 3.214 ( -0.823 -0.634 -10.085) 10.139 3.310 ( -0.457 0.840 2.018) 2.233 3.353 ( -2.767 -3.162 -5.391) 6.835 3.440 ( 2.240 -3.443 2.510) 4.813 3.471 ( -3.075 -4.092 0.691) 5.165 3.571 ( 0.902 2.615 -0.110) 2.769 3.651 ( 2.678 -1.150 -4.304) 5.198 3.709 ( 1.094 2.895 0.298) 3.109 3.784 ( -1.692 1.976 0.465) 2.643 3.853 ( 0.244 0.282 0.214) 0.430 3.977 ( -0.622 0.530 -4.740) 4.810 4.178 ( -1.145 -4.093 -3.314) 5.389 4.348 ( -0.657 -6.881 2.383) 7.311 4.470 ( -0.174 1.762 2.285) 2.891 4.519 ( -0.037 -7.098 2.241) 7.444 4.825 ( 1.005 8.569 1.996) 8.855 5.427 ( 0.366 5.220 0.869) 5.305 5.576 ( 0.569 -1.754 1.295) 2.253 5.597 ( 0.768 -2.554 1.531) 3.075 6.747 ( -0.009 12.688 1.111) 12.737 7.256 ( -0.276 0.186 -0.147) 0.364 7.502 ( 0.209 12.158 -2.252) 12.367 7.994 ( -0.236 -0.847 0.218) 0.906 8.082 ( 0.074 1.394 0.102) 1.399 8.536 ( 0.604 -14.173 1.622) 14.278 9.647 ( 0.964 18.786 -3.060) 19.058 9.979 ( -2.086 8.312 -0.695) 8.598 10.248 ( 2.017 -1.103 -2.428) 3.344 10.260 ( -1.121 -2.853 -1.212) 3.296 11.042 ( -1.126 -9.934 2.703) 10.356 11.324 ( 0.366 -11.500 -3.072) 11.909 ======================= Grid point 78 (36/90) ======================= q-point: ( 0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 3.790 12.831 7.164) 15.177 1.204 ( 5.628 10.755 14.627) 19.008 1.358 ( 2.645 11.485 6.701) 13.558 1.763 ( -0.260 12.623 0.337) 12.630 1.897 ( -2.907 7.611 -1.907) 8.367 2.028 ( 3.324 3.133 -3.653) 5.849 2.103 ( 0.569 0.724 -0.244) 0.953 2.273 ( -1.263 1.779 4.113) 4.656 2.401 ( 1.157 10.035 3.539) 10.704 2.593 ( -5.485 -3.249 4.565) 7.841 2.664 ( -2.637 -5.810 -0.108) 6.381 2.701 ( 5.080 5.961 4.180) 8.877 2.818 ( 0.781 -2.068 -4.993) 5.460 2.869 ( -1.201 0.149 1.698) 2.085 2.881 ( -5.937 -1.663 -5.958) 8.574 2.940 ( 1.436 -1.341 -4.978) 5.351 3.096 ( -0.429 -1.835 0.251) 1.901 3.163 ( 0.816 -3.813 -4.801) 6.185 3.244 ( -3.895 -4.940 -2.661) 6.831 3.303 ( -0.657 0.467 -0.377) 0.890 3.387 ( -5.847 -1.476 0.432) 6.046 3.486 ( 0.138 -4.845 2.699) 5.548 3.595 ( 2.451 3.624 -2.669) 5.125 3.669 ( 0.996 -3.050 -2.525) 4.083 3.686 ( -1.823 -1.507 -5.661) 6.135 3.792 ( 0.272 1.414 -1.811) 2.314 3.857 ( 4.560 1.327 0.119) 4.751 4.033 ( 3.408 -0.495 2.681) 4.365 4.127 ( -0.258 -4.795 -4.723) 6.735 4.330 ( -2.024 -4.042 2.052) 4.964 4.472 ( -0.909 -0.020 1.778) 1.997 4.568 ( 3.003 -7.677 1.568) 8.391 4.855 ( 0.587 8.130 1.682) 8.323 5.435 ( -0.145 5.624 0.561) 5.654 5.607 ( 1.436 -3.530 1.352) 4.044 5.626 ( 1.094 -1.733 1.178) 2.364 6.752 ( -0.332 12.742 1.016) 12.787 7.255 ( 0.269 0.213 -0.097) 0.357 7.476 ( -1.254 14.145 -1.940) 14.332 7.991 ( -0.195 -0.818 0.223) 0.870 8.093 ( 0.909 1.568 0.107) 1.815 8.541 ( -1.163 -14.152 1.341) 14.263 9.609 ( -2.419 19.683 -4.980) 20.447 9.875 ( -7.315 13.501 2.530) 15.563 10.252 ( 1.183 -1.795 -0.741) 2.274 10.272 ( 1.758 -3.443 -2.061) 4.381 11.054 ( 0.323 -9.207 3.413) 9.825 11.317 ( 1.008 -13.358 -3.811) 13.927 ======================= Grid point 79 (37/90) ======================= q-point: ( 0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 13.826 4.426 2.613) 14.750 1.373 ( 0.889 9.087 6.378) 11.137 1.385 ( -1.074 5.397 2.389) 5.999 1.743 ( -1.433 13.490 -2.158) 13.737 1.843 ( 0.017 5.282 -0.885) 5.356 2.018 ( -0.459 8.052 -8.512) 11.726 2.062 ( -3.348 0.355 -3.651) 4.966 2.269 ( -2.038 2.318 3.555) 4.708 2.452 ( 0.519 6.257 3.066) 6.987 2.492 ( -4.595 -0.924 -0.185) 4.691 2.635 ( -2.611 -2.818 2.039) 4.349 2.671 ( -5.187 -1.988 -3.349) 6.487 2.745 ( -0.906 -3.835 2.631) 4.739 2.854 ( 1.881 -1.670 -0.800) 2.640 2.974 ( 4.724 6.082 5.277) 9.335 2.990 ( 3.173 0.402 -1.955) 3.749 3.063 ( -1.719 0.725 3.813) 4.245 3.155 ( 1.438 -6.731 -2.974) 7.498 3.214 ( -0.619 -6.349 -0.599) 6.407 3.270 ( -3.051 0.793 1.983) 3.724 3.314 ( 0.231 -1.687 -0.179) 1.712 3.449 ( -4.193 -1.696 -1.648) 4.814 3.596 ( -0.682 -2.916 -4.287) 5.229 3.637 ( -1.397 -2.675 -0.583) 3.073 3.660 ( 3.467 1.567 -2.237) 4.414 3.830 ( 2.655 -0.560 2.497) 3.687 3.928 ( 3.173 0.610 -3.266) 4.594 4.054 ( -1.337 0.537 0.307) 1.474 4.140 ( 1.530 -3.167 0.169) 3.521 4.323 ( 0.935 -3.271 -0.126) 3.405 4.472 ( -0.432 -1.693 1.892) 2.575 4.628 ( 2.314 -6.808 0.476) 7.206 4.866 ( -0.244 8.279 0.547) 8.300 5.430 ( -0.485 5.662 -0.195) 5.686 5.637 ( 0.862 -5.786 0.209) 5.854 5.649 ( 0.799 -0.531 0.042) 0.960 6.749 ( -0.551 12.789 0.563) 12.814 7.264 ( 0.536 0.544 0.291) 0.817 7.437 ( -1.414 16.230 -1.262) 16.340 7.992 ( 0.067 -0.669 0.344) 0.755 8.112 ( 0.898 1.972 0.001) 2.166 8.514 ( -2.034 -13.401 0.112) 13.555 9.503 ( -3.967 20.082 -4.346) 20.926 9.784 ( -5.130 16.775 4.625) 18.141 10.277 ( 1.214 -4.611 -0.056) 4.768 10.293 ( 2.127 0.080 -1.794) 2.784 11.098 ( 0.924 -9.794 4.254) 10.718 11.305 ( 0.807 -14.531 -3.829) 15.048 ======================= Grid point 80 (38/90) ======================= q-point: ( 0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 3.571 0.468 -6.389) 7.334 1.291 ( -2.795 3.936 0.657) 4.872 1.410 ( -0.528 1.075 0.662) 1.368 1.696 ( -2.448 14.595 -1.948) 14.927 1.868 ( 1.092 8.056 -1.723) 8.310 1.891 ( -4.259 8.126 -5.780) 10.844 1.994 ( 4.066 3.325 -11.545) 12.683 2.251 ( -1.126 6.120 -4.735) 7.820 2.390 ( -4.186 -0.235 -0.097) 4.194 2.483 ( -1.747 -3.456 -1.039) 4.009 2.580 ( 3.311 -0.569 4.535) 5.644 2.627 ( -1.976 3.003 0.585) 3.642 2.788 ( -2.080 0.514 8.599) 8.862 2.922 ( 4.402 -5.272 3.476) 7.698 2.976 ( -1.903 -5.086 2.030) 5.797 3.033 ( -4.501 0.960 3.817) 5.979 3.084 ( 1.755 1.297 2.399) 3.243 3.151 ( -1.620 -3.150 -1.031) 3.689 3.180 ( 0.715 -4.475 -1.403) 4.744 3.274 ( 1.044 -5.652 -1.690) 5.991 3.329 ( -3.018 0.119 -2.047) 3.649 3.384 ( 1.598 -3.058 4.557) 5.716 3.581 ( 1.395 -6.136 -0.894) 6.356 3.674 ( 4.020 2.331 5.041) 6.856 3.727 ( 4.200 3.360 -1.776) 5.665 3.884 ( 0.817 1.515 2.104) 2.719 3.943 ( 1.567 0.051 -3.451) 3.791 4.029 ( -1.605 0.872 0.629) 1.932 4.140 ( -0.871 -1.008 -0.170) 1.343 4.355 ( 2.252 -4.978 -1.157) 5.585 4.474 ( -1.414 -2.044 2.587) 3.588 4.655 ( 0.437 -5.911 -0.610) 5.959 4.855 ( -0.845 9.007 -0.825) 9.084 5.417 ( -0.378 5.492 -0.877) 5.574 5.640 ( -0.187 -5.689 -0.981) 5.776 5.653 ( 0.019 -1.194 -1.157) 1.663 6.740 ( -0.507 12.787 0.097) 12.797 7.276 ( 0.273 0.957 0.616) 1.170 7.413 ( -0.252 17.062 -0.719) 17.079 7.997 ( 0.110 -0.501 0.557) 0.757 8.123 ( 0.259 2.261 -0.223) 2.287 8.475 ( -1.427 -12.424 -1.254) 12.568 9.437 ( -0.161 19.670 -2.012) 19.774 9.732 ( -3.399 18.061 3.485) 18.705 10.291 ( 0.404 -4.185 -0.265) 4.213 10.325 ( 1.725 0.663 -0.454) 1.903 11.121 ( -1.407 -10.961 2.624) 11.359 11.314 ( 2.332 -14.485 -1.291) 14.728 ======================= Grid point 81 (39/90) ======================= q-point: (-0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -7.884 1.951 -8.658) 11.871 1.226 ( -5.183 5.086 -5.339) 9.013 1.412 ( -3.769 -1.616 2.675) 4.896 1.618 ( -1.221 19.265 -3.259) 19.577 1.826 ( -0.573 4.195 -2.962) 5.167 1.866 ( 2.262 7.633 -6.736) 10.428 2.049 ( 5.111 4.570 -6.157) 9.214 2.160 ( 0.538 8.046 -8.936) 12.037 2.361 ( -0.634 -1.667 2.226) 2.852 2.505 ( 4.837 -0.548 1.004) 4.970 2.567 ( -3.787 3.942 -0.016) 5.466 2.717 ( 4.183 0.585 1.355) 4.435 2.807 ( -0.290 -1.956 9.170) 9.381 2.927 ( -5.029 -0.932 3.915) 6.441 2.946 ( -2.815 -2.073 0.601) 3.547 3.003 ( -1.809 -4.789 0.735) 5.172 3.125 ( 2.360 -3.327 2.223) 4.645 3.153 ( 2.299 -2.952 2.647) 4.583 3.215 ( 2.134 -5.620 -0.391) 6.024 3.255 ( -1.228 -0.072 0.676) 1.403 3.293 ( 1.527 -7.700 -1.637) 8.019 3.473 ( 1.777 -3.873 7.095) 8.276 3.611 ( 2.155 -7.045 -0.052) 7.367 3.729 ( 0.245 2.471 -5.314) 5.865 3.809 ( 0.843 5.269 2.442) 5.868 3.923 ( 2.353 4.659 1.197) 5.355 3.934 ( 0.834 -0.402 -0.571) 1.088 4.003 ( -2.653 1.931 2.956) 4.416 4.149 ( 2.622 -1.659 0.176) 3.108 4.372 ( 0.028 -6.808 -1.659) 7.007 4.451 ( -2.640 -0.844 3.078) 4.142 4.636 ( -1.653 -5.018 -1.367) 5.457 4.826 ( -1.127 9.413 -1.466) 9.593 5.407 ( 0.065 5.210 -1.057) 5.317 5.621 ( -0.867 -4.892 -1.345) 5.147 5.634 ( -0.929 -1.720 -1.709) 2.597 6.733 ( -0.238 12.737 -0.030) 12.739 7.281 ( -0.238 1.216 0.620) 1.386 7.420 ( 1.494 16.351 -0.469) 16.426 8.001 ( -0.162 -0.434 0.668) 0.813 8.119 ( -0.432 2.202 -0.332) 2.269 8.452 ( 0.277 -11.921 -1.715) 12.047 9.474 ( 5.196 19.634 -1.899) 20.398 9.709 ( -1.290 18.526 3.581) 18.913 10.288 ( -0.544 -3.784 -0.142) 3.826 10.343 ( 0.290 0.112 -0.212) 0.376 11.093 ( -2.569 -11.353 1.561) 11.744 11.359 ( 2.146 -14.260 0.061) 14.420 ======================= Grid point 82 (40/90) ======================= q-point: (-0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -6.536 6.042 -0.413) 8.910 1.070 ( -6.573 7.296 -3.615) 10.465 1.311 ( -6.990 9.101 2.137) 11.672 1.632 ( 3.257 18.971 -1.111) 19.281 1.775 ( -1.995 0.506 -0.653) 2.159 1.889 ( 4.648 6.111 -7.126) 10.475 2.035 ( 0.331 7.459 -5.321) 9.168 2.221 ( 5.438 6.215 -0.095) 8.259 2.347 ( -0.401 0.724 -0.885) 1.212 2.501 ( -3.583 5.046 1.795) 6.444 2.659 ( 7.385 -1.960 1.675) 7.822 2.729 ( 0.509 -2.820 -0.510) 2.910 2.845 ( -2.936 -0.997 -2.388) 3.914 2.886 ( -1.079 -2.469 3.767) 4.631 2.904 ( -0.379 -2.028 0.856) 2.234 3.024 ( 4.302 -4.202 0.462) 6.031 3.173 ( -1.486 -1.315 2.206) 2.967 3.196 ( 1.376 -6.090 2.026) 6.564 3.245 ( 3.999 -5.312 -1.370) 6.789 3.306 ( 1.809 -5.547 3.378) 6.741 3.337 ( 4.056 -2.753 0.592) 4.937 3.530 ( -0.811 -1.595 7.052) 7.275 3.645 ( -1.159 -5.845 -1.310) 6.101 3.668 ( -0.828 0.698 -4.009) 4.153 3.771 ( -1.824 3.552 -2.400) 4.658 3.852 ( -1.827 0.624 -8.330) 8.551 3.954 ( -5.164 3.215 3.507) 7.022 4.071 ( 3.700 5.002 7.899) 10.055 4.212 ( 2.591 -3.547 -0.573) 4.430 4.314 ( -3.354 -6.373 -3.290) 7.918 4.450 ( 0.063 -0.976 3.545) 3.677 4.580 ( -3.104 -4.293 -0.830) 5.362 4.800 ( -0.645 8.991 -0.560) 9.031 5.406 ( 0.419 4.883 -0.594) 4.937 5.595 ( -0.950 -3.486 -0.666) 3.674 5.600 ( -1.400 -1.983 -1.153) 2.688 6.732 ( 0.063 12.682 0.278) 12.685 7.276 ( -0.605 0.989 0.435) 1.239 7.457 ( 2.581 14.408 -0.816) 14.660 8.000 ( -0.369 -0.532 0.531) 0.837 8.104 ( -0.811 1.879 -0.173) 2.053 8.464 ( 1.802 -12.343 -0.831) 12.502 9.575 ( 6.461 19.044 -4.748) 20.663 9.759 ( 4.098 17.632 5.740) 18.991 10.268 ( -1.357 -3.773 -0.273) 4.019 10.332 ( -0.937 -0.694 -0.943) 1.500 11.061 ( -1.990 -11.212 2.332) 11.624 11.379 ( 0.236 -13.583 -1.202) 13.638 ======================= Grid point 83 (41/90) ======================= q-point: (-0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -5.187 12.066 10.336) 16.714 0.977 ( -3.913 9.659 7.193) 12.663 1.201 ( -6.124 15.127 5.072) 17.090 1.698 ( 3.778 22.269 -0.092) 22.587 1.787 ( 4.101 0.255 -1.117) 4.258 1.938 ( 5.096 4.544 -5.742) 8.921 2.032 ( 1.124 6.742 0.904) 6.895 2.253 ( -0.847 2.263 1.025) 2.625 2.412 ( 7.215 2.712 -4.877) 9.122 2.445 ( -4.007 7.802 4.220) 9.733 2.675 ( -2.437 -6.716 1.162) 7.238 2.771 ( -2.973 -3.732 0.767) 4.833 2.844 ( 5.932 -3.292 -2.282) 7.158 2.893 ( -0.129 -2.025 -0.977) 2.253 2.913 ( 1.835 -1.488 2.461) 3.411 3.077 ( -0.858 -5.374 -0.586) 5.474 3.158 ( -0.120 -4.595 -1.777) 4.928 3.243 ( 3.657 -0.321 -3.316) 4.947 3.283 ( 0.785 -5.128 -0.052) 5.189 3.369 ( 2.859 -3.956 2.278) 5.387 3.401 ( 1.376 -0.704 -1.982) 2.514 3.529 ( -3.726 -3.466 0.961) 5.179 3.600 ( 0.511 0.568 1.657) 1.824 3.606 ( -1.189 1.930 -5.860) 6.283 3.748 ( -2.883 -0.092 -0.927) 3.030 3.796 ( 1.654 1.299 -0.399) 2.141 3.863 ( -5.848 2.425 2.722) 6.892 4.097 ( -4.179 1.506 -4.892) 6.608 4.197 ( 0.116 0.990 -1.043) 1.442 4.309 ( 2.532 -10.922 1.139) 11.270 4.471 ( -0.724 1.029 1.936) 2.309 4.526 ( -2.425 -4.883 2.221) 5.887 4.799 ( 0.374 8.676 1.050) 8.747 5.414 ( 0.536 4.799 0.268) 4.836 5.573 ( -0.848 -0.705 0.323) 1.149 5.583 ( -0.163 -3.594 0.529) 3.637 6.738 ( 0.166 12.664 0.782) 12.690 7.266 ( -0.639 0.521 0.128) 0.834 7.495 ( 2.014 12.293 -1.691) 12.571 7.997 ( -0.269 -0.716 0.315) 0.827 8.088 ( -0.719 1.537 0.033) 1.697 8.501 ( 1.953 -13.382 0.695) 13.541 9.631 ( 3.070 18.582 -3.729) 19.199 9.918 ( 7.182 11.867 2.278) 14.057 10.242 ( -0.501 -3.195 -0.914) 3.361 10.299 ( -1.351 -1.208 -1.835) 2.579 11.048 ( -1.444 -10.915 2.828) 11.367 11.354 ( -1.052 -11.932 -2.650) 12.268 ======================= Grid point 84 (42/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -3.482 16.928 6.333) 18.406 1.303 ( 4.836 13.265 8.513) 16.487 1.422 ( -1.885 6.160 10.799) 12.575 1.818 ( 0.776 -5.171 0.399) 5.244 2.000 ( 5.813 1.089 2.370) 6.372 2.082 ( -0.215 3.817 0.663) 3.880 2.146 ( -1.210 2.753 -3.538) 4.643 2.394 ( 1.092 3.885 -1.371) 4.261 2.453 ( 0.185 -2.862 1.541) 3.256 2.541 ( 1.433 1.537 -0.379) 2.135 2.650 ( -0.068 0.400 -2.663) 2.694 2.767 ( 0.482 8.158 2.989) 8.702 2.811 ( 2.057 -0.755 2.624) 3.419 2.829 ( 2.893 0.439 -4.926) 5.730 2.943 ( -0.199 -0.070 1.644) 1.657 2.957 ( -2.250 0.898 1.066) 2.647 3.016 ( -1.946 -3.543 -4.248) 5.863 3.185 ( 0.594 -1.473 -3.988) 4.293 3.262 ( -2.756 -3.169 -1.666) 4.519 3.313 ( -2.144 0.041 3.840) 4.398 3.379 ( -3.734 -3.276 0.855) 5.041 3.445 ( 1.206 1.966 -0.647) 2.395 3.573 ( -0.337 -2.412 -0.201) 2.443 3.687 ( 0.754 3.753 -3.892) 5.459 3.726 ( -0.772 -4.295 -4.302) 6.128 3.831 ( 0.303 0.651 1.463) 1.630 3.864 ( 3.118 0.054 -0.569) 3.170 3.960 ( 1.453 -12.515 2.203) 12.791 4.008 ( -2.722 2.691 -8.856) 9.648 4.197 ( -2.935 -4.410 -1.207) 5.433 4.489 ( -0.450 0.612 0.525) 0.923 4.496 ( 0.001 0.700 1.339) 1.512 5.022 ( 0.872 10.023 1.460) 10.167 5.425 ( 0.784 -7.521 1.930) 7.804 5.538 ( 0.381 2.667 0.026) 2.694 5.598 ( 0.539 0.105 1.490) 1.588 7.011 ( 0.078 11.832 0.673) 11.852 7.264 ( -0.275 -0.127 -0.044) 0.306 7.752 ( 0.254 11.474 -0.353) 11.482 7.974 ( -0.299 -0.281 0.132) 0.430 8.074 ( 0.070 -2.593 0.164) 2.600 8.244 ( 0.260 -13.058 0.600) 13.075 9.986 ( 0.538 8.404 -2.237) 8.713 10.080 ( -1.155 3.101 2.366) 4.068 10.154 ( 0.341 2.140 0.504) 2.225 10.426 ( -0.232 12.415 -3.603) 12.929 10.795 ( -0.159 -13.333 3.115) 13.693 11.054 ( -0.618 -14.052 -2.743) 14.330 ======================= Grid point 85 (43/90) ======================= q-point: ( 0.14 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -2.762 16.334 6.006) 17.621 1.427 ( 1.646 9.255 10.344) 13.977 1.552 ( 4.884 5.740 5.491) 9.324 1.771 ( -3.799 -6.061 0.297) 7.159 2.057 ( -1.686 5.846 1.371) 6.237 2.100 ( 0.915 4.047 -1.756) 4.505 2.176 ( 5.372 1.740 -0.253) 5.652 2.354 ( -2.176 0.683 -1.885) 2.958 2.462 ( -1.074 -0.108 2.384) 2.617 2.559 ( -0.502 -0.804 2.836) 2.990 2.615 ( -1.563 3.055 -4.044) 5.304 2.725 ( -3.044 -5.296 -1.108) 6.208 2.817 ( -5.538 1.124 -0.254) 5.657 2.874 ( 0.444 1.734 -4.241) 4.604 2.906 ( 2.339 -0.641 1.716) 2.971 2.995 ( 3.200 -0.048 -1.362) 3.478 3.028 ( 3.236 6.571 3.007) 7.918 3.081 ( -3.251 -1.093 -5.623) 6.587 3.204 ( -4.550 0.874 1.964) 5.033 3.296 ( -2.012 -0.774 2.121) 3.024 3.337 ( -2.889 -3.378 3.345) 5.563 3.415 ( -3.565 -1.631 0.367) 3.938 3.566 ( -0.693 -4.295 0.126) 4.353 3.660 ( 1.708 -0.463 -3.888) 4.272 3.717 ( 1.648 2.572 -4.288) 5.265 3.824 ( -0.959 3.032 -8.051) 8.656 3.896 ( 3.055 -0.619 0.352) 3.136 3.997 ( 4.406 -2.584 -1.430) 5.304 4.024 ( 2.768 -5.038 1.316) 5.897 4.139 ( -1.430 -8.939 -1.518) 9.179 4.479 ( -0.936 1.216 0.835) 1.747 4.519 ( 1.369 -0.452 1.043) 1.779 5.046 ( 0.678 9.892 0.948) 9.960 5.455 ( 0.887 -7.942 1.561) 8.142 5.542 ( -0.015 3.145 0.040) 3.145 5.622 ( 0.729 -0.384 1.189) 1.446 7.015 ( -0.123 11.798 0.636) 11.816 7.265 ( 0.373 0.019 0.011) 0.373 7.751 ( -0.031 12.163 -0.364) 12.169 7.971 ( -0.041 -0.260 0.165) 0.311 8.087 ( 1.064 -2.568 0.156) 2.784 8.247 ( -0.366 -13.264 0.524) 13.280 9.951 ( -2.387 9.817 -2.765) 10.474 10.076 ( -1.114 3.668 2.432) 4.540 10.183 ( 1.836 3.862 1.226) 4.448 10.384 ( -0.868 11.136 -3.365) 11.666 10.821 ( 0.314 -12.937 3.771) 13.479 11.016 ( -0.888 -14.947 -3.365) 15.347 ======================= Grid point 86 (44/90) ======================= q-point: ( 0.29 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 5.383 10.628 4.619) 12.778 1.478 ( -1.917 2.035 4.641) 5.418 1.531 ( -7.290 5.289 -4.011) 9.859 1.786 ( 3.596 -6.362 -1.077) 7.387 2.035 ( -0.438 7.676 -2.839) 8.196 2.065 ( -0.506 8.490 -0.422) 8.516 2.250 ( -0.539 8.043 -1.702) 8.238 2.316 ( -0.484 2.548 1.934) 3.235 2.434 ( -1.642 -4.634 0.775) 4.977 2.547 ( -5.080 -4.561 -1.006) 6.901 2.594 ( 0.824 1.906 1.214) 2.405 2.651 ( 1.892 0.285 -3.507) 3.995 2.711 ( -4.480 1.023 0.491) 4.622 2.867 ( 0.536 3.161 -0.432) 3.235 2.947 ( -3.411 -3.480 -2.068) 5.294 2.987 ( 3.918 -4.253 2.207) 6.189 3.032 ( 2.188 -5.723 -3.401) 7.007 3.079 ( -4.781 1.507 0.884) 5.090 3.165 ( -3.869 3.939 5.564) 7.839 3.273 ( -3.454 -1.933 0.645) 4.010 3.277 ( -3.115 -1.653 3.645) 5.072 3.373 ( -0.512 -4.358 0.199) 4.393 3.556 ( 1.101 1.062 -1.504) 2.146 3.675 ( 1.054 4.709 -1.582) 5.078 3.745 ( 4.292 5.457 -1.710) 7.150 3.810 ( 3.371 -0.760 0.082) 3.456 3.946 ( 2.394 0.108 -1.812) 3.004 4.049 ( 0.468 -1.919 -2.429) 3.130 4.064 ( 1.940 -2.846 -0.716) 3.518 4.148 ( 2.061 -11.661 2.459) 12.094 4.470 ( -0.555 1.583 0.728) 1.829 4.553 ( 1.517 -2.038 0.129) 2.544 5.059 ( 0.296 9.944 -0.077) 9.949 5.474 ( 0.350 -7.975 0.254) 7.987 5.537 ( -0.296 3.101 -0.428) 3.144 5.636 ( 0.258 -1.000 0.080) 1.036 7.015 ( -0.294 11.990 0.311) 11.997 7.276 ( 0.635 -0.101 0.348) 0.731 7.746 ( -0.213 13.219 -0.484) 13.229 7.976 ( 0.330 -0.026 0.383) 0.507 8.110 ( 1.080 -2.630 0.001) 2.843 8.238 ( -0.722 -12.437 0.048) 12.458 9.871 ( -3.383 13.512 -2.483) 14.149 10.067 ( -1.781 5.710 2.601) 6.523 10.228 ( 1.476 4.752 1.628) 5.236 10.366 ( 1.106 7.881 -2.293) 8.282 10.853 ( 0.095 -13.480 3.161) 13.846 10.983 ( -0.132 -15.589 -2.211) 15.745 ======================= Grid point 87 (45/90) ======================= q-point: ( 0.43 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.753 4.718 -2.320) 5.312 1.342 ( -2.451 1.000 -2.805) 3.856 1.435 ( -3.199 2.941 -3.300) 5.456 1.792 ( 1.579 -7.385 -5.521) 9.355 2.016 ( -1.642 10.729 -2.800) 11.209 2.091 ( 2.398 11.236 0.390) 11.496 2.172 ( -1.622 8.418 -3.690) 9.333 2.340 ( -0.283 1.859 2.237) 2.923 2.360 ( -1.082 -1.716 -7.784) 8.044 2.526 ( -5.333 4.448 -4.521) 8.287 2.556 ( 3.559 -1.569 6.689) 7.738 2.685 ( 0.501 -0.919 0.155) 1.058 2.753 ( 6.313 -1.925 0.140) 6.601 2.849 ( -4.041 -5.529 0.401) 6.860 2.889 ( -0.909 2.722 4.048) 4.962 3.007 ( -3.874 -8.865 -1.560) 9.799 3.033 ( -2.583 -0.802 3.494) 4.418 3.062 ( 0.958 -3.735 -0.330) 3.870 3.113 ( 1.186 0.196 4.544) 4.701 3.187 ( -4.568 -0.262 0.922) 4.667 3.293 ( 0.925 -4.710 4.999) 6.930 3.376 ( -0.211 -3.159 0.813) 3.268 3.503 ( -2.438 4.136 -6.789) 8.315 3.778 ( 4.737 4.464 4.135) 7.712 3.840 ( 4.849 7.033 5.223) 10.013 3.884 ( 2.624 -1.333 1.153) 3.161 3.958 ( 1.001 1.139 -3.398) 3.721 4.013 ( -1.271 -3.033 -3.850) 5.064 4.077 ( 0.457 -3.483 -0.553) 3.557 4.216 ( 1.972 -7.522 3.994) 8.742 4.466 ( -0.660 1.376 0.853) 1.748 4.571 ( 0.472 -2.990 -0.542) 3.076 5.055 ( -0.251 10.114 -1.162) 10.183 5.470 ( -0.472 -7.017 -1.205) 7.136 5.528 ( -0.130 2.058 -0.825) 2.221 5.632 ( -0.311 -1.367 -1.082) 1.771 7.009 ( -0.331 12.258 -0.049) 12.262 7.290 ( 0.293 -0.396 0.653) 0.818 7.739 ( -0.063 13.906 -0.618) 13.920 7.987 ( 0.268 0.254 0.704) 0.795 8.123 ( 0.316 -2.770 -0.291) 2.803 8.224 ( -0.541 -11.204 -0.487) 11.227 9.816 ( -0.451 15.263 -1.317) 15.326 10.048 ( -1.845 7.846 2.392) 8.408 10.254 ( 0.041 4.500 1.461) 4.731 10.383 ( 1.627 5.884 -1.242) 6.230 10.854 ( -1.303 -14.057 0.622) 14.131 10.993 ( 1.482 -15.689 0.974) 15.789 ======================= Grid point 88 (46/90) ======================= q-point: (-0.43 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -6.054 3.883 -7.427) 10.339 1.307 ( -3.870 -1.922 -4.964) 6.581 1.423 ( 3.290 6.453 -1.154) 7.334 1.792 ( 1.125 -6.410 -4.121) 7.703 1.945 ( -2.045 13.062 -4.007) 13.815 2.079 ( -3.661 12.536 0.134) 13.060 2.205 ( 5.797 6.014 -2.201) 8.638 2.308 ( 0.926 5.294 -9.888) 11.254 2.369 ( 2.383 1.343 2.283) 3.563 2.465 ( 2.072 -0.134 0.224) 2.088 2.624 ( -0.629 -10.677 1.996) 10.880 2.691 ( -3.884 1.730 -0.472) 4.279 2.737 ( -0.089 -2.137 -0.503) 2.197 2.859 ( 0.198 -0.877 0.245) 0.932 2.905 ( 1.127 -0.946 -0.410) 1.527 2.972 ( 1.843 -4.728 3.309) 6.058 3.057 ( 1.612 0.630 4.790) 5.093 3.086 ( 1.131 -4.620 -0.037) 4.757 3.128 ( -1.183 0.435 1.409) 1.891 3.184 ( 2.313 -1.211 3.289) 4.199 3.328 ( -4.215 5.990 -1.265) 7.433 3.375 ( 1.875 -4.917 9.213) 10.610 3.472 ( 2.184 -5.210 -0.059) 5.650 3.808 ( -1.394 2.583 -2.802) 4.058 3.881 ( -1.173 0.694 -0.702) 1.533 3.923 ( -1.741 -8.361 -4.729) 9.762 3.944 ( 0.775 1.657 -3.425) 3.883 4.040 ( 3.255 2.108 7.163) 8.145 4.092 ( 0.558 1.218 3.348) 3.606 4.266 ( 0.510 -3.548 2.897) 4.608 4.455 ( -1.021 1.458 1.250) 2.175 4.564 ( -0.733 -2.822 -0.742) 3.008 5.033 ( -0.854 10.320 -1.847) 10.519 5.444 ( -0.949 -6.479 -1.868) 6.810 5.523 ( 0.220 1.362 -0.889) 1.641 5.613 ( -0.582 -1.237 -1.533) 2.054 7.003 ( -0.201 12.391 -0.160) 12.393 7.294 ( -0.352 -0.640 0.716) 1.023 7.737 ( 0.324 13.668 -0.663) 13.688 7.993 ( -0.266 0.314 0.866) 0.959 8.118 ( -0.517 -2.841 -0.419) 2.918 8.215 ( 0.074 -10.440 -0.667) 10.461 9.840 ( 3.617 14.308 -1.090) 14.799 10.038 ( -0.846 8.924 2.479) 9.300 10.248 ( -1.597 3.679 1.100) 4.159 10.402 ( 0.921 6.294 -0.651) 6.394 10.824 ( -1.829 -13.646 0.164) 13.769 11.035 ( 1.581 -16.284 1.652) 16.444 ======================= Grid point 89 (47/90) ======================= q-point: (-0.29 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -0.443 7.665 0.160) 7.679 1.213 ( -2.808 3.683 -2.821) 5.423 1.480 ( 4.371 6.926 -2.741) 8.637 1.752 ( -3.853 -3.086 0.113) 4.937 1.907 ( 0.674 10.333 -2.908) 10.756 2.021 ( -0.056 9.054 -1.501) 9.177 2.264 ( 2.365 8.716 -4.265) 9.988 2.304 ( 0.741 0.192 0.148) 0.780 2.432 ( 2.982 3.093 0.583) 4.336 2.497 ( -3.220 -2.810 5.147) 6.690 2.627 ( 1.603 -8.100 -2.057) 8.509 2.663 ( 5.045 -5.188 -0.513) 7.254 2.739 ( 1.291 3.829 -3.797) 5.545 2.844 ( -1.076 0.088 -4.006) 4.148 2.920 ( -0.432 2.262 -0.654) 2.394 2.999 ( 0.781 -2.129 2.121) 3.105 3.107 ( 0.262 -2.520 0.965) 2.712 3.132 ( 3.616 0.607 -1.401) 3.925 3.176 ( 2.831 -3.278 4.365) 6.150 3.236 ( 0.268 2.151 2.741) 3.494 3.301 ( 3.252 -0.508 1.178) 3.496 3.466 ( -0.077 -3.624 9.084) 9.780 3.529 ( 2.320 -4.587 1.902) 5.481 3.737 ( -2.898 3.708 -2.359) 5.264 3.813 ( -2.180 -1.460 -4.860) 5.523 3.884 ( -0.620 -1.943 -4.502) 4.942 3.907 ( -1.673 -7.142 -0.897) 7.390 4.031 ( -4.486 -4.004 -0.211) 6.017 4.178 ( 0.880 4.251 7.537) 8.698 4.264 ( -1.693 -0.301 -0.484) 1.786 4.460 ( 0.603 1.541 1.653) 2.339 4.535 ( -1.602 -1.485 -0.549) 2.252 5.006 ( -0.641 10.398 -1.225) 10.490 5.415 ( -0.775 -6.876 -1.046) 6.998 5.524 ( 0.467 1.603 -0.724) 1.820 5.593 ( -0.525 -0.607 -0.799) 1.133 7.001 ( 0.023 12.298 0.054) 12.298 7.287 ( -0.802 -0.648 0.540) 1.164 7.741 ( 0.554 12.644 -0.591) 12.669 7.989 ( -0.659 0.096 0.644) 0.926 8.101 ( -0.966 -2.730 -0.186) 2.902 8.218 ( 0.630 -10.756 -0.349) 10.780 9.915 ( 4.692 11.755 -2.318) 12.868 10.053 ( 0.291 7.496 3.146) 8.135 10.212 ( -2.682 2.736 0.732) 3.900 10.413 ( 1.021 9.027 -0.870) 9.126 10.795 ( -1.484 -13.660 0.991) 13.776 11.068 ( 0.924 -15.941 0.463) 15.975 ======================= Grid point 90 (48/90) ======================= q-point: (-0.14 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 3.072 12.626 7.862) 15.188 1.178 ( 0.805 8.568 1.854) 8.803 1.490 ( -6.121 11.808 4.517) 14.046 1.732 ( 4.028 -4.214 0.930) 5.903 1.925 ( 2.557 4.211 -1.390) 5.119 2.052 ( 3.228 6.653 -1.851) 7.623 2.234 ( -4.722 -0.915 -0.799) 4.875 2.320 ( 3.670 7.101 0.180) 7.995 2.448 ( -0.763 -6.414 2.922) 7.089 2.553 ( 1.718 2.023 -0.133) 2.657 2.602 ( 1.990 5.596 -1.251) 6.069 2.748 ( 0.387 0.800 -2.445) 2.602 2.788 ( 0.710 -0.957 -3.419) 3.621 2.812 ( 6.249 -3.263 1.531) 7.214 2.882 ( -0.919 1.653 -1.034) 2.156 3.013 ( -2.550 0.317 0.434) 2.606 3.095 ( -0.890 -3.146 -3.042) 4.466 3.175 ( 2.278 -1.490 -2.374) 3.612 3.251 ( 2.788 -1.022 2.258) 3.730 3.289 ( 1.785 -1.638 3.899) 4.590 3.377 ( 2.633 -1.848 1.252) 3.452 3.476 ( -2.506 -1.200 0.723) 2.871 3.571 ( 0.472 -1.996 1.177) 2.364 3.685 ( 0.715 3.868 -4.517) 5.990 3.779 ( -1.654 -1.158 0.986) 2.247 3.818 ( 0.010 1.254 -3.348) 3.575 3.886 ( -3.909 -2.543 1.460) 4.887 3.938 ( -1.511 -14.883 -0.798) 14.981 4.146 ( -4.918 2.953 -4.409) 7.235 4.240 ( -1.267 0.094 1.221) 1.762 4.484 ( 0.612 0.688 0.650) 1.127 4.504 ( -1.460 0.032 0.536) 1.556 5.001 ( 0.380 10.259 0.605) 10.284 5.406 ( 0.032 -7.231 0.763) 7.271 5.530 ( 0.541 2.097 -0.364) 2.196 5.586 ( -0.095 0.042 0.623) 0.631 7.004 ( 0.152 12.055 0.416) 12.063 7.274 ( -0.774 -0.423 0.219) 0.909 7.747 ( 0.480 11.663 -0.459) 11.682 7.980 ( -0.513 -0.160 0.299) 0.615 8.082 ( -0.862 -2.624 0.080) 2.763 8.231 ( 0.707 -11.927 0.219) 11.950 9.969 ( 2.795 10.019 -2.476) 10.693 10.078 ( -0.254 3.605 2.752) 4.542 10.168 ( -2.017 1.997 0.396) 2.866 10.430 ( 1.650 11.905 -2.130) 12.206 10.785 ( -0.767 -13.782 2.099) 13.962 11.074 ( 0.053 -14.624 -1.293) 14.681 ======================= Grid point 91 (49/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 2.505 -6.470 7.061) 9.899 1.379 ( 2.505 6.470 7.061) 9.899 1.629 ( -3.537 -12.456 4.979) 13.872 1.629 ( -3.537 12.456 4.979) 13.872 2.036 ( 3.993 -3.437 0.966) 5.356 2.036 ( 3.993 3.437 0.966) 5.356 2.274 ( -0.858 -8.042 -0.480) 8.102 2.274 ( -0.858 8.042 -0.480) 8.102 2.543 ( 0.628 -6.700 -0.078) 6.729 2.543 ( 0.628 6.700 -0.078) 6.729 2.660 ( 0.967 -6.012 -2.632) 6.634 2.660 ( 0.967 6.012 -2.632) 6.634 2.879 ( 3.877 -3.727 -1.048) 5.479 2.879 ( 3.877 3.727 -1.048) 5.479 2.934 ( -1.860 -4.404 -3.069) 5.681 2.934 ( -1.860 4.404 -3.069) 5.681 3.170 ( -2.161 -1.995 2.478) 3.846 3.170 ( -2.161 1.995 2.478) 3.846 3.304 ( -1.529 -5.684 1.668) 6.118 3.304 ( -1.529 5.684 1.668) 6.118 3.405 ( -0.564 -16.773 0.635) 16.794 3.405 ( -0.564 16.773 0.635) 16.794 3.507 ( -0.803 -3.516 -1.884) 4.069 3.507 ( -0.803 3.516 -1.884) 4.069 3.771 ( 0.408 -3.642 -0.928) 3.780 3.771 ( 0.408 3.642 -0.928) 3.780 3.877 ( 3.264 -0.885 -0.343) 3.399 3.877 ( 3.264 0.885 -0.343) 3.399 4.103 ( -4.119 -5.006 -5.857) 8.737 4.103 ( -4.119 5.006 -5.857) 8.737 4.500 ( -0.056 -0.254 0.618) 0.670 4.500 ( -0.056 0.254 0.618) 0.670 5.234 ( 0.810 -10.040 1.350) 10.163 5.234 ( 0.810 10.040 1.350) 10.163 5.585 ( 0.472 -1.471 0.883) 1.780 5.585 ( 0.472 1.471 0.883) 1.780 7.207 ( -0.030 -6.177 0.296) 6.184 7.207 ( -0.030 6.177 0.296) 6.184 7.962 ( 0.250 -8.126 0.118) 8.131 7.962 ( 0.250 8.126 0.118) 8.131 8.030 ( -0.260 -6.485 0.022) 6.490 8.030 ( -0.260 6.485 0.022) 6.490 10.040 ( -0.121 -1.939 -0.256) 1.959 10.040 ( -0.121 1.939 -0.256) 1.959 10.443 ( 0.169 -15.455 1.539) 15.532 10.443 ( 0.169 15.455 1.539) 15.532 10.754 ( -0.739 -13.736 -1.734) 13.864 10.754 ( -0.739 13.736 -1.734) 13.864 ======================= Grid point 93 (50/90) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -4.386 -12.343 6.942) 14.825 1.396 ( -4.386 12.343 6.942) 14.825 1.657 ( 2.124 -5.147 2.482) 6.096 1.657 ( 2.124 5.147 2.482) 6.096 2.154 ( 5.501 -2.832 3.416) 7.067 2.154 ( 5.501 2.832 3.416) 7.067 2.225 ( -2.219 -6.479 -2.093) 7.161 2.225 ( -2.219 6.479 -2.093) 7.161 2.553 ( -0.417 -6.575 1.129) 6.685 2.553 ( -0.417 6.575 1.129) 6.685 2.620 ( -2.327 -3.756 -3.562) 5.676 2.620 ( -2.327 3.756 -3.562) 5.676 2.847 ( -5.035 -2.711 0.859) 5.782 2.847 ( -5.035 2.711 0.859) 5.782 2.930 ( 2.812 -3.230 -6.366) 7.672 2.930 ( 2.812 3.230 -6.366) 7.672 3.160 ( -1.610 -5.047 2.659) 5.928 3.160 ( -1.610 5.047 2.659) 5.928 3.262 ( -3.424 -4.535 1.277) 5.824 3.262 ( -3.424 4.535 1.277) 5.824 3.347 ( -4.202 -5.953 0.199) 7.289 3.347 ( -4.202 5.953 0.199) 7.289 3.551 ( 3.969 -5.339 2.841) 7.233 3.551 ( 3.969 5.339 2.841) 7.233 3.790 ( 2.085 -4.882 0.498) 5.332 3.790 ( 2.085 4.882 0.498) 5.332 3.922 ( 2.511 -5.146 -7.062) 9.092 3.922 ( 2.511 5.146 -7.062) 9.092 4.025 ( 0.270 -3.505 -2.306) 4.204 4.025 ( 0.270 3.505 -2.306) 4.204 4.505 ( 0.042 -1.002 0.764) 1.261 4.505 ( 0.042 1.002 0.764) 1.261 5.259 ( 0.795 -10.177 0.885) 10.246 5.259 ( 0.795 10.177 0.885) 10.246 5.599 ( 0.228 -1.915 0.753) 2.070 5.599 ( 0.228 1.915 0.753) 2.070 7.210 ( 0.151 -6.099 0.304) 6.108 7.210 ( 0.151 6.099 0.304) 6.108 7.970 ( 0.438 -8.142 0.070) 8.154 7.970 ( 0.438 8.142 0.070) 8.154 8.031 ( 0.311 -6.166 0.071) 6.174 8.031 ( 0.311 6.166 0.071) 6.174 10.041 ( 0.270 -2.506 -0.265) 2.534 10.041 ( 0.270 2.506 -0.265) 2.534 10.459 ( 0.206 -13.880 1.451) 13.957 10.459 ( 0.206 13.880 1.451) 13.957 10.716 ( -1.604 -12.160 -1.497) 12.357 10.716 ( -1.604 12.160 -1.497) 12.357 ======================= Grid point 95 (51/90) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -1.450 -10.433 5.122) 11.712 1.382 ( -1.450 10.433 5.122) 11.712 1.639 ( -3.258 -5.790 -4.727) 8.154 1.639 ( -3.258 5.790 -4.727) 8.154 2.213 ( 2.003 -9.185 -1.424) 9.508 2.213 ( 2.003 9.185 -1.424) 9.508 2.275 ( 4.278 -7.320 3.711) 9.256 2.275 ( 4.278 7.320 3.711) 9.256 2.450 ( -6.874 -4.940 -2.333) 8.780 2.450 ( -6.874 4.940 -2.333) 8.780 2.610 ( 0.974 -2.424 -0.388) 2.641 2.610 ( 0.974 2.424 -0.388) 2.641 2.781 ( -2.007 -6.055 -1.169) 6.486 2.781 ( -2.007 6.055 -1.169) 6.486 2.939 ( 2.357 -3.356 -2.385) 4.744 2.939 ( 2.357 3.356 -2.385) 4.744 3.105 ( -6.753 -4.560 3.253) 8.774 3.105 ( -6.753 4.560 3.253) 8.774 3.197 ( -3.129 -4.440 -0.076) 5.432 3.197 ( -3.129 4.440 -0.076) 5.432 3.273 ( -3.542 -2.635 1.433) 4.642 3.273 ( -3.542 2.635 1.433) 4.642 3.666 ( 5.057 -5.937 0.722) 7.832 3.666 ( 5.057 5.937 0.722) 7.832 3.869 ( 4.582 -7.450 3.237) 9.326 3.869 ( 4.582 7.450 3.237) 9.326 3.904 ( 1.395 -7.765 -3.790) 8.753 3.904 ( 1.395 7.765 -3.790) 8.753 4.038 ( 1.161 -0.658 -1.731) 2.185 4.038 ( 1.161 0.658 -1.731) 2.185 4.511 ( 0.219 -2.068 0.237) 2.093 4.511 ( 0.219 2.068 0.237) 2.093 5.273 ( 0.436 -10.340 -0.179) 10.351 5.273 ( 0.436 10.340 -0.179) 10.351 5.601 ( -0.212 -2.417 -0.085) 2.428 5.601 ( -0.212 2.417 -0.085) 2.428 7.216 ( 0.163 -6.472 0.256) 6.479 7.216 ( 0.163 6.472 0.256) 6.479 7.978 ( 0.465 -8.460 -0.140) 8.474 7.978 ( 0.465 8.460 -0.140) 8.474 8.040 ( 0.434 -5.218 0.223) 5.241 8.040 ( 0.434 5.218 0.223) 5.241 10.040 ( -0.328 -4.206 -0.156) 4.222 10.040 ( -0.328 4.206 -0.156) 4.222 10.467 ( -0.218 -10.517 0.775) 10.548 10.467 ( -0.218 10.517 0.775) 10.548 10.690 ( -0.411 -9.262 -0.017) 9.271 10.690 ( -0.411 9.262 -0.017) 9.271 ======================= Grid point 97 (52/90) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -5.534 -1.500 -3.037) 6.488 1.337 ( -5.534 1.500 -3.037) 6.488 1.580 ( 2.071 -10.360 -3.362) 11.087 1.580 ( 2.071 10.360 -3.362) 11.087 2.236 ( 1.234 -7.099 -1.841) 7.437 2.236 ( 1.234 7.099 -1.841) 7.437 2.263 ( -2.569 -6.249 -3.134) 7.448 2.263 ( -2.569 6.249 -3.134) 7.448 2.436 ( 1.964 -8.580 2.879) 9.261 2.436 ( 1.964 8.580 2.879) 9.261 2.615 ( -0.441 -5.507 -3.438) 6.507 2.615 ( -0.441 5.507 -3.438) 6.507 2.745 ( 0.970 -2.746 -2.075) 3.575 2.745 ( 0.970 2.746 -2.075) 3.575 2.941 ( -4.675 -3.013 2.429) 6.069 2.941 ( -4.675 3.013 2.429) 6.069 3.023 ( -0.330 -1.815 3.441) 3.904 3.023 ( -0.330 1.815 3.441) 3.904 3.172 ( -1.156 -3.862 2.373) 4.678 3.172 ( -1.156 3.862 2.373) 4.678 3.251 ( 0.205 -4.654 3.236) 5.672 3.251 ( 0.205 4.654 3.236) 5.672 3.688 ( -1.175 -10.051 -4.411) 11.038 3.688 ( -1.175 10.051 -4.411) 11.038 3.929 ( 1.005 -3.533 -0.974) 3.800 3.929 ( 1.005 3.533 -0.974) 3.800 3.970 ( 3.136 -1.531 0.354) 3.508 3.970 ( 3.136 1.531 0.354) 3.508 4.070 ( 2.954 -4.711 5.113) 7.554 4.070 ( 2.954 4.711 5.113) 7.554 4.512 ( -0.196 -2.690 -0.226) 2.706 4.512 ( -0.196 2.690 -0.226) 2.706 5.271 ( -0.148 -10.351 -1.249) 10.428 5.271 ( -0.148 10.351 -1.249) 10.428 5.591 ( -0.407 -2.613 -1.013) 2.832 5.591 ( -0.407 2.613 -1.013) 2.832 7.219 ( -0.034 -6.999 0.169) 7.001 7.219 ( -0.034 6.999 0.169) 7.001 7.984 ( 0.209 -9.481 -0.318) 9.489 7.984 ( 0.209 9.481 -0.318) 9.489 8.048 ( 0.136 -5.386 0.306) 5.396 8.048 ( 0.136 5.386 0.306) 5.396 10.032 ( -0.231 -5.635 0.044) 5.640 10.032 ( -0.231 5.635 0.044) 5.640 10.465 ( -0.403 -8.780 0.648) 8.813 10.465 ( -0.403 8.780 0.648) 8.813 10.696 ( 0.412 -9.079 0.929) 9.136 10.696 ( 0.412 9.079 0.929) 9.136 ======================= Grid point 99 (53/90) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -3.176 -6.118 -6.300) 9.338 1.204 ( -3.176 6.118 -6.300) 9.338 1.610 ( 2.110 -9.716 -2.044) 10.150 1.610 ( 2.110 9.716 -2.044) 10.150 2.212 ( -2.250 -10.631 -1.422) 10.959 2.212 ( -2.250 10.631 -1.422) 10.959 2.277 ( 4.485 -1.879 -2.490) 5.463 2.277 ( 4.485 1.879 -2.490) 5.463 2.457 ( -0.695 -5.268 1.464) 5.511 2.457 ( -0.695 5.268 1.464) 5.511 2.510 ( -3.844 -9.291 -5.287) 11.360 2.510 ( -3.843 9.291 -5.287) 11.360 2.809 ( 3.917 -4.241 -0.030) 5.773 2.809 ( 3.917 4.241 -0.030) 5.773 2.918 ( 0.469 -1.410 2.754) 3.130 2.918 ( 0.469 1.410 2.754) 3.130 3.047 ( 1.372 -1.253 0.010) 1.858 3.047 ( 1.372 1.253 0.010) 1.858 3.189 ( 1.200 -1.236 3.091) 3.539 3.189 ( 1.200 1.236 3.091) 3.539 3.323 ( 2.185 -2.517 8.486) 9.117 3.323 ( 2.185 2.517 8.486) 9.117 3.597 ( -4.533 -14.190 -3.863) 15.389 3.597 ( -4.533 14.190 -3.863) 15.389 3.888 ( -2.182 -1.155 -3.965) 4.671 3.888 ( -2.182 1.155 -3.965) 4.671 4.010 ( 1.056 -3.385 -2.087) 4.114 4.010 ( 1.056 3.385 -2.087) 4.114 4.182 ( 2.165 -4.685 8.512) 9.954 4.182 ( 2.165 4.685 8.512) 9.954 4.504 ( -0.365 -2.861 -0.177) 2.890 4.504 ( -0.365 2.861 -0.177) 2.890 5.251 ( -0.749 -10.299 -1.868) 10.493 5.251 ( -0.749 10.299 -1.868) 10.493 5.576 ( -0.171 -2.344 -1.331) 2.701 5.576 ( -0.171 2.344 -1.331) 2.701 7.217 ( -0.269 -7.281 0.133) 7.287 7.217 ( -0.269 7.281 0.133) 7.287 7.981 ( -0.268 -9.581 -0.438) 9.595 7.981 ( -0.268 9.581 -0.438) 9.595 8.049 ( -0.182 -5.264 0.389) 5.281 8.049 ( -0.182 5.264 0.389) 5.281 10.037 ( 0.655 -4.994 0.173) 5.040 10.037 ( 0.655 4.994 0.173) 5.040 10.460 ( -0.679 -10.522 0.550) 10.558 10.460 ( -0.679 10.522 0.550) 10.558 10.712 ( 0.528 -11.887 1.230) 11.963 10.712 ( 0.528 11.887 1.230) 11.963 ======================= Grid point 101 (54/90) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 2.145 -6.928 -1.513) 7.408 1.164 ( 2.145 6.928 -1.513) 7.408 1.636 ( 2.331 -7.468 -2.395) 8.182 1.636 ( 2.331 7.468 -2.395) 8.182 2.138 ( -4.609 -10.406 -1.183) 11.442 2.138 ( -4.609 10.406 -1.183) 11.442 2.278 ( -3.425 -9.631 2.253) 10.467 2.278 ( -3.425 9.631 2.253) 10.467 2.442 ( 2.479 -8.215 -3.215) 9.163 2.442 ( 2.479 8.215 -3.215) 9.163 2.552 ( 6.541 -4.080 0.619) 7.735 2.552 ( 6.541 4.080 0.619) 7.735 2.826 ( -0.083 -2.877 -4.664) 5.481 2.826 ( -0.083 2.877 -4.664) 5.481 2.979 ( 3.950 -1.672 0.567) 4.326 2.979 ( 3.950 1.672 0.567) 4.326 3.087 ( 2.222 -4.354 0.996) 4.989 3.087 ( 2.222 4.354 0.996) 4.989 3.253 ( 3.030 -3.026 2.406) 4.912 3.253 ( 3.030 3.026 2.406) 4.912 3.394 ( -2.130 -6.077 4.895) 8.089 3.394 ( -2.130 6.077 4.895) 8.089 3.519 ( -0.285 -10.162 1.630) 10.296 3.519 ( -0.285 10.162 1.630) 10.296 3.818 ( -2.251 -2.265 -3.114) 4.460 3.818 ( -2.251 2.265 -3.114) 4.460 3.967 ( -3.236 -3.591 -3.381) 5.899 3.967 ( -3.236 3.591 -3.381) 5.899 4.244 ( -0.801 -1.970 4.755) 5.209 4.244 ( -0.801 1.970 4.755) 5.209 4.500 ( -0.053 -1.960 -0.057) 1.961 4.500 ( -0.053 1.960 -0.057) 1.961 5.224 ( -0.662 -10.264 -1.272) 10.363 5.224 ( -0.662 10.264 -1.272) 10.363 5.569 ( 0.183 -1.801 -0.776) 1.970 5.569 ( 0.183 1.801 -0.776) 1.970 7.212 ( -0.340 -7.121 0.186) 7.132 7.212 ( -0.340 7.121 0.186) 7.132 7.970 ( -0.474 -8.643 -0.370) 8.664 7.970 ( -0.474 8.643 -0.370) 8.664 8.046 ( -0.455 -4.926 0.382) 4.961 8.046 ( -0.455 4.926 0.382) 4.961 10.051 ( 0.376 -3.222 0.102) 3.246 10.051 ( 0.376 3.222 0.102) 3.246 10.447 ( -0.932 -13.553 0.391) 13.590 10.447 ( -0.932 13.553 0.391) 13.590 10.736 ( 1.152 -14.410 0.843) 14.481 10.736 ( 1.152 14.410 0.843) 14.481 ======================= Grid point 103 (55/90) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 5.277 -3.218 4.109) 7.422 1.251 ( 5.277 3.218 4.109) 7.422 1.655 ( -0.576 -3.974 1.790) 4.397 1.655 ( -0.576 3.974 1.790) 4.397 2.036 ( -3.984 -8.442 -0.718) 9.363 2.036 ( -3.984 8.442 -0.718) 9.363 2.266 ( 0.372 -9.375 1.736) 9.541 2.266 ( 0.372 9.375 1.736) 9.541 2.495 ( 3.983 -8.347 -0.409) 9.258 2.495 ( 3.983 8.347 -0.409) 9.258 2.651 ( 2.222 -6.094 -0.837) 6.540 2.651 ( 2.222 6.094 -0.837) 6.540 2.810 ( 3.250 -1.031 -3.606) 4.963 2.810 ( 3.250 1.031 -3.606) 4.963 2.999 ( -1.154 -5.149 -3.803) 6.505 2.999 ( -1.154 5.149 -3.803) 6.505 3.153 ( 2.294 -5.102 3.253) 6.471 3.153 ( 2.294 5.102 3.253) 6.471 3.312 ( 0.214 -0.315 1.995) 2.031 3.312 ( 0.214 0.315 1.995) 2.031 3.368 ( 1.010 -12.734 0.128) 12.775 3.368 ( 1.010 12.734 0.128) 12.775 3.551 ( -0.781 -3.088 1.585) 3.558 3.551 ( -0.781 3.088 1.585) 3.558 3.775 ( -0.544 -3.467 -0.352) 3.527 3.775 ( -0.544 3.467 -0.352) 3.527 3.875 ( -2.644 -2.009 -2.818) 4.355 3.875 ( -2.644 2.009 -2.818) 4.355 4.212 ( -3.879 -2.718 -1.075) 4.857 4.212 ( -3.879 2.718 -1.075) 4.857 4.498 ( 0.006 -0.574 -0.070) 0.578 4.498 ( 0.006 0.574 -0.070) 0.578 5.216 ( 0.215 -10.131 0.444) 10.143 5.216 ( 0.215 10.131 0.444) 10.143 5.572 ( 0.412 -1.428 0.205) 1.500 5.572 ( 0.412 1.428 0.205) 1.500 7.207 ( -0.232 -6.637 0.256) 6.646 7.207 ( -0.232 6.637 0.256) 6.646 7.961 ( -0.182 -8.007 -0.112) 8.010 7.961 ( -0.182 8.007 -0.112) 8.010 8.038 ( -0.575 -5.518 0.207) 5.552 8.038 ( -0.575 5.518 0.207) 5.552 10.049 ( -0.456 -2.112 -0.092) 2.163 10.049 ( -0.456 2.112 -0.092) 2.163 10.437 ( -0.439 -15.334 0.863) 15.365 10.437 ( -0.439 15.334 0.863) 15.365 10.760 ( 0.939 -14.619 -0.504) 14.658 10.760 ( 0.939 14.619 -0.504) 14.658 ======================= Grid point 126 (56/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 2.803 0.000 7.132) 7.663 0.727 ( -9.596 0.000 9.257) 13.334 1.132 ( 7.760 0.000 1.658) 7.935 1.521 ( -0.264 0.000 -5.431) 5.438 1.552 ( 0.238 0.000 20.507) 20.508 1.914 ( -1.410 0.000 -0.131) 1.416 2.015 ( 2.430 0.000 -0.581) 2.499 2.262 ( 1.479 0.000 2.063) 2.538 2.307 ( 1.598 0.000 1.747) 2.367 2.496 ( 5.130 0.000 11.219) 12.337 2.683 ( -2.255 0.000 -7.121) 7.469 2.807 ( -0.687 0.000 -0.394) 0.792 2.810 ( -0.066 0.000 -8.233) 8.233 2.936 ( -0.036 0.000 -3.805) 3.805 3.020 ( -0.732 0.000 -0.193) 0.757 3.087 ( -3.459 0.000 -1.263) 3.682 3.104 ( -7.003 0.000 -2.520) 7.443 3.193 ( -1.260 0.000 -2.283) 2.607 3.243 ( 3.835 0.000 -8.241) 9.090 3.264 ( -1.131 0.000 2.002) 2.300 3.328 ( 1.717 0.000 -0.724) 1.864 3.514 ( 2.542 0.000 0.272) 2.556 3.542 ( -2.526 0.000 -1.727) 3.060 3.731 ( 1.836 0.000 1.360) 2.285 3.758 ( 1.578 0.000 3.745) 4.064 3.781 ( -2.594 0.000 -2.186) 3.392 3.937 ( 0.034 0.000 0.539) 0.540 3.964 ( 0.381 0.000 -1.768) 1.809 4.383 ( -2.075 0.000 1.979) 2.868 4.403 ( -0.789 0.000 -0.770) 1.102 4.415 ( 0.033 0.000 -0.346) 0.348 4.723 ( 2.191 0.000 1.120) 2.461 5.004 ( 0.355 0.000 1.032) 1.091 5.163 ( 0.010 0.000 -0.189) 0.189 5.628 ( 0.591 0.000 1.959) 2.046 5.729 ( 0.527 0.000 0.398) 0.661 6.407 ( -0.016 0.000 0.035) 0.039 6.845 ( 0.020 0.000 0.004) 0.020 7.273 ( -0.016 0.000 0.061) 0.063 7.991 ( -0.057 0.000 -0.153) 0.164 8.011 ( 0.028 0.000 -0.097) 0.101 8.889 ( 0.053 0.000 -0.064) 0.083 8.965 ( -0.080 0.000 0.083) 0.115 9.620 ( -1.019 0.000 0.673) 1.221 10.289 ( -0.123 0.000 -0.083) 0.149 10.413 ( 0.386 0.000 -0.330) 0.508 11.288 ( -1.685 0.000 1.220) 2.080 11.535 ( 1.799 0.000 -2.064) 2.738 ======================= Grid point 127 (57/90) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 5.738 0.000 -2.633) 6.313 0.736 ( 3.808 0.000 8.139) 8.986 1.273 ( 8.170 0.000 -5.121) 9.643 1.520 ( 2.715 0.000 -1.197) 2.967 1.620 ( -2.989 0.000 2.982) 4.222 1.874 ( -3.562 0.000 2.003) 4.086 1.984 ( -6.015 0.000 -0.535) 6.038 2.317 ( 5.012 0.000 -8.289) 9.687 2.319 ( 0.069 0.000 -1.589) 1.590 2.507 ( -2.852 0.000 -1.279) 3.126 2.691 ( 2.070 0.000 -0.056) 2.070 2.776 ( 1.408 0.000 -0.538) 1.507 2.812 ( 0.902 0.000 1.087) 1.413 2.878 ( -6.999 0.000 -0.159) 7.001 2.954 ( -6.277 0.000 3.858) 7.367 3.045 ( 2.726 0.000 1.028) 2.913 3.046 ( 0.388 0.000 7.137) 7.148 3.206 ( 2.669 0.000 0.633) 2.743 3.261 ( -1.112 0.000 2.376) 2.623 3.282 ( 4.273 0.000 -1.963) 4.702 3.330 ( 0.303 0.000 -2.952) 2.967 3.465 ( -3.221 0.000 -1.137) 3.415 3.582 ( 2.905 0.000 0.632) 2.973 3.723 ( -3.376 0.000 0.223) 3.383 3.800 ( 2.711 0.000 0.098) 2.712 3.853 ( 6.025 0.000 -1.341) 6.172 3.936 ( -0.334 0.000 0.110) 0.351 3.973 ( 2.455 0.000 -1.812) 3.051 4.331 ( -5.009 0.000 2.075) 5.422 4.382 ( -1.785 0.000 1.291) 2.203 4.426 ( 1.574 0.000 1.187) 1.972 4.720 ( -1.421 0.000 -2.427) 2.813 5.014 ( 0.210 0.000 -0.316) 0.379 5.159 ( -0.294 0.000 -0.076) 0.304 5.648 ( 0.839 0.000 -0.601) 1.032 5.741 ( 0.801 0.000 -0.780) 1.118 6.407 ( 0.008 0.000 0.040) 0.041 6.846 ( 0.030 0.000 -0.036) 0.046 7.272 ( -0.201 0.000 0.048) 0.206 7.991 ( 0.062 0.000 0.063) 0.089 8.012 ( 0.110 0.000 -0.082) 0.137 8.890 ( 0.045 0.000 -0.120) 0.128 8.965 ( -0.041 0.000 0.177) 0.182 9.500 ( -11.116 0.000 1.940) 11.284 10.293 ( 0.392 0.000 -0.021) 0.393 10.413 ( 0.073 0.000 -0.572) 0.576 11.327 ( 3.403 0.000 4.031) 5.276 11.546 ( 1.501 0.000 -4.402) 4.651 ======================= Grid point 128 (58/90) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 5.541 0.000 -8.714) 10.327 0.910 ( 11.100 0.000 -5.327) 12.312 1.352 ( 4.387 0.000 -7.867) 9.008 1.490 ( -7.138 0.000 -8.366) 10.998 1.590 ( 3.713 0.000 1.727) 4.095 1.805 ( -5.131 0.000 2.240) 5.599 1.830 ( -9.034 0.000 2.081) 9.270 2.230 ( -2.513 0.000 -12.747) 12.993 2.321 ( 1.821 0.000 -0.884) 2.024 2.590 ( 7.599 0.000 -8.718) 11.565 2.667 ( -8.419 0.000 0.768) 8.454 2.714 ( 1.435 0.000 5.685) 5.863 2.808 ( -2.009 0.000 6.851) 7.139 2.839 ( 0.272 0.000 1.123) 1.156 2.984 ( 2.769 0.000 3.589) 4.533 3.111 ( 3.012 0.000 0.514) 3.055 3.159 ( 2.142 0.000 11.077) 11.283 3.235 ( -2.055 0.000 0.234) 2.068 3.293 ( 3.448 0.000 5.912) 6.844 3.330 ( 1.108 0.000 -1.830) 2.139 3.375 ( 5.209 0.000 3.026) 6.024 3.413 ( -1.580 0.000 1.141) 1.949 3.623 ( 1.119 0.000 -0.562) 1.252 3.660 ( -2.275 0.000 -0.118) 2.279 3.823 ( 0.498 0.000 -3.910) 3.942 3.885 ( -0.913 0.000 -1.272) 1.566 3.929 ( -0.311 0.000 0.013) 0.312 4.026 ( 1.862 0.000 1.436) 2.351 4.231 ( -6.065 0.000 0.799) 6.117 4.379 ( 1.840 0.000 -0.323) 1.868 4.487 ( 2.936 0.000 2.921) 4.141 4.662 ( -2.666 0.000 -2.481) 3.642 5.000 ( -0.987 0.000 -1.788) 2.042 5.152 ( -0.356 0.000 0.010) 0.356 5.652 ( 0.645 0.000 -2.045) 2.144 5.745 ( 0.545 0.000 -1.815) 1.895 6.408 ( 0.015 0.000 0.043) 0.046 6.846 ( 0.024 0.000 -0.066) 0.070 7.267 ( -0.248 0.000 0.036) 0.251 7.994 ( 0.160 0.000 0.237) 0.286 8.014 ( 0.132 0.000 -0.069) 0.150 8.890 ( 0.031 0.000 -0.158) 0.161 8.966 ( -0.011 0.000 0.244) 0.245 9.272 ( -12.243 0.000 -0.716) 12.264 10.304 ( 0.829 0.000 0.321) 0.889 10.414 ( 0.273 0.000 -0.143) 0.308 11.436 ( 2.297 0.000 7.136) 7.497 11.538 ( 2.454 0.000 -6.314) 6.774 ======================= Grid point 129 (59/90) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 1.051 0.000 -7.405) 7.479 0.991 ( 1.701 0.000 -10.729) 10.863 1.241 ( -6.122 0.000 -13.941) 15.226 1.399 ( 0.469 0.000 -0.204) 0.512 1.660 ( 2.213 0.000 1.081) 2.463 1.728 ( -1.112 0.000 1.452) 1.829 1.738 ( -2.093 0.000 0.711) 2.211 2.117 ( -2.025 0.000 -7.002) 7.289 2.374 ( 2.237 0.000 2.048) 3.033 2.493 ( -5.212 0.000 0.076) 5.212 2.633 ( -1.907 0.000 -1.115) 2.209 2.787 ( 4.433 0.000 -3.464) 5.626 2.820 ( -1.802 0.000 -0.849) 1.992 2.945 ( 5.379 0.000 12.794) 13.878 3.026 ( -0.966 0.000 2.598) 2.772 3.155 ( 1.578 0.000 -0.340) 1.614 3.191 ( -1.503 0.000 2.426) 2.854 3.215 ( -0.819 0.000 0.985) 1.281 3.310 ( -0.993 0.000 -1.585) 1.870 3.427 ( 4.579 0.000 7.773) 9.022 3.443 ( 2.337 0.000 2.690) 3.563 3.506 ( 5.010 0.000 3.864) 6.327 3.614 ( -0.962 0.000 -1.974) 2.196 3.662 ( 1.592 0.000 1.515) 2.198 3.741 ( -4.475 0.000 -5.739) 7.278 3.869 ( 0.571 0.000 -3.039) 3.092 3.927 ( -0.034 0.000 0.186) 0.189 4.060 ( 1.574 0.000 2.245) 2.742 4.130 ( -4.857 0.000 1.361) 5.044 4.446 ( 5.045 0.000 -0.754) 5.101 4.560 ( 1.804 0.000 3.383) 3.833 4.575 ( -5.104 0.000 -2.029) 5.493 4.958 ( -1.498 0.000 -2.442) 2.865 5.148 ( -0.116 0.000 0.005) 0.116 5.645 ( 0.120 0.000 -1.864) 1.868 5.737 ( -0.052 0.000 -1.729) 1.730 6.408 ( -0.000 0.000 0.043) 0.043 6.846 ( 0.007 0.000 -0.064) 0.064 7.264 ( -0.123 0.000 0.036) 0.128 7.999 ( 0.143 0.000 0.216) 0.259 8.015 ( 0.079 0.000 -0.070) 0.105 8.889 ( 0.022 0.000 -0.149) 0.151 8.968 ( -0.014 0.000 0.234) 0.234 9.074 ( -6.491 0.000 -1.717) 6.714 10.327 ( 0.889 0.000 0.789) 1.189 10.419 ( 0.331 0.000 -0.197) 0.385 11.457 ( -2.656 0.000 3.499) 4.393 11.590 ( 4.713 0.000 -2.685) 5.424 ======================= Grid point 130 (60/90) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -5.968 0.000 -0.791) 6.020 0.849 ( -9.950 0.000 1.103) 10.011 1.078 ( -5.318 0.000 -0.565) 5.348 1.402 ( 1.511 0.000 -1.575) 2.183 1.685 ( 0.361 0.000 -1.054) 1.114 1.757 ( 4.281 0.000 -1.173) 4.439 1.801 ( 6.586 0.000 -3.267) 7.352 2.046 ( -2.706 0.000 -0.484) 2.749 2.377 ( -4.186 0.000 1.942) 4.614 2.460 ( -1.690 0.000 2.592) 3.094 2.571 ( -3.010 0.000 3.477) 4.599 2.800 ( 1.054 0.000 -3.220) 3.388 2.814 ( 2.409 0.000 -0.398) 2.441 3.009 ( -1.558 0.000 2.581) 3.015 3.082 ( 1.018 0.000 2.929) 3.101 3.151 ( -2.310 0.000 0.148) 2.315 3.200 ( -1.273 0.000 1.779) 2.188 3.234 ( 5.679 0.000 -1.684) 5.924 3.312 ( 2.008 0.000 -1.227) 2.353 3.486 ( 0.056 0.000 -0.647) 0.650 3.513 ( -2.468 0.000 -4.536) 5.164 3.556 ( -0.625 0.000 5.714) 5.748 3.587 ( 0.085 0.000 -0.089) 0.123 3.655 ( 0.308 0.000 -1.839) 1.864 3.719 ( 4.122 0.000 -2.782) 4.973 3.854 ( 0.994 0.000 -2.119) 2.340 3.927 ( -0.136 0.000 0.168) 0.216 4.060 ( -1.914 0.000 3.105) 3.648 4.156 ( 5.139 0.000 -0.894) 5.216 4.441 ( -6.831 0.000 -1.003) 6.904 4.534 ( 2.054 0.000 2.268) 3.059 4.591 ( 0.626 0.000 0.610) 0.874 4.930 ( 0.060 0.000 -0.356) 0.361 5.149 ( 0.250 0.000 -0.085) 0.264 5.631 ( -0.700 0.000 -0.629) 0.941 5.722 ( -0.572 0.000 -0.523) 0.775 6.408 ( -0.026 0.000 0.040) 0.048 6.845 ( -0.009 0.000 -0.031) 0.033 7.264 ( 0.081 0.000 0.046) 0.093 8.001 ( 0.016 0.000 0.007) 0.017 8.015 ( -0.009 0.000 -0.082) 0.082 8.888 ( 0.023 0.000 -0.104) 0.107 8.969 ( -0.045 0.000 0.157) 0.164 9.035 ( 2.819 0.000 1.704) 3.294 10.337 ( -0.376 0.000 0.088) 0.386 10.422 ( 0.242 0.000 -0.575) 0.624 11.431 ( -2.633 0.000 4.227) 4.979 11.628 ( 1.688 0.000 -4.528) 4.832 ======================= Grid point 131 (61/90) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -8.391 0.000 7.638) 11.346 0.760 ( -1.868 0.000 10.242) 10.411 1.018 ( -6.086 0.000 12.881) 14.247 1.429 ( -0.404 0.000 1.618) 1.668 1.659 ( -1.248 0.000 -3.811) 4.010 1.855 ( -0.319 0.000 3.953) 3.965 1.857 ( 6.624 0.000 -2.888) 7.226 2.051 ( 3.697 0.000 2.512) 4.469 2.282 ( -5.666 0.000 2.836) 6.336 2.366 ( -7.454 0.000 6.904) 10.160 2.692 ( 11.145 0.000 -1.097) 11.199 2.823 ( 2.316 0.000 -2.484) 3.396 2.861 ( 1.380 0.000 -1.058) 1.739 3.000 ( 0.738 0.000 -0.990) 1.235 3.017 ( -4.538 0.000 -8.501) 9.636 3.104 ( -2.659 0.000 1.757) 3.187 3.200 ( 0.308 0.000 1.940) 1.964 3.321 ( 2.905 0.000 -3.434) 4.498 3.334 ( 0.317 0.000 -1.221) 1.262 3.387 ( -4.784 0.000 -2.422) 5.362 3.455 ( -0.174 0.000 -2.739) 2.744 3.475 ( -6.125 0.000 -6.596) 9.001 3.607 ( 0.454 0.000 0.989) 1.088 3.703 ( -0.935 0.000 0.577) 1.098 3.746 ( 3.624 0.000 -1.331) 3.861 3.892 ( 3.088 0.000 -1.190) 3.309 3.926 ( -0.124 0.000 0.329) 0.351 4.070 ( -1.987 0.000 -2.298) 3.037 4.214 ( 3.432 0.000 2.440) 4.211 4.367 ( 0.641 0.000 -0.189) 0.669 4.514 ( -4.035 0.000 1.894) 4.458 4.628 ( 1.606 0.000 -0.109) 1.610 4.953 ( 1.099 0.000 2.300) 2.549 5.155 ( 0.451 0.000 -0.194) 0.491 5.613 ( -1.242 0.000 1.289) 1.790 5.712 ( -0.493 0.000 0.882) 1.010 6.408 ( -0.043 0.000 0.035) 0.056 6.845 ( -0.012 0.000 0.008) 0.014 7.267 ( 0.210 0.000 0.060) 0.218 7.999 ( -0.125 0.000 -0.223) 0.255 8.014 ( -0.067 0.000 -0.097) 0.118 8.888 ( 0.033 0.000 -0.056) 0.065 8.968 ( -0.082 0.000 0.071) 0.108 9.204 ( 11.664 0.000 5.643) 12.957 10.317 ( -1.188 0.000 -0.644) 1.352 10.420 ( -0.015 0.000 -0.764) 0.764 11.413 ( -3.340 0.000 5.635) 6.550 11.591 ( -0.766 0.000 -7.526) 7.565 ======================= Grid point 132 (62/90) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -3.549 0.000 12.294) 12.796 0.849 ( 1.527 0.000 -2.628) 3.039 1.000 ( -6.196 0.000 21.286) 22.170 1.422 ( -3.839 0.000 18.088) 18.491 1.589 ( -1.983 0.000 -6.237) 6.545 1.924 ( 2.125 0.000 -3.066) 3.731 1.935 ( 4.674 0.000 3.657) 5.935 2.177 ( 5.442 0.000 4.314) 6.945 2.254 ( 0.164 0.000 4.624) 4.627 2.348 ( 0.628 0.000 8.220) 8.244 2.778 ( -2.959 0.000 -7.368) 7.941 2.840 ( -1.695 0.000 -1.558) 2.302 2.855 ( 1.684 0.000 -2.210) 2.778 2.919 ( 4.435 0.000 -5.452) 7.028 3.047 ( 5.540 0.000 -3.756) 6.693 3.061 ( -2.711 0.000 -0.113) 2.713 3.247 ( -3.235 0.000 -4.942) 5.906 3.249 ( 1.637 0.000 4.015) 4.336 3.294 ( -6.452 0.000 -8.670) 10.807 3.309 ( -0.448 0.000 -2.023) 2.072 3.316 ( -3.479 0.000 -6.591) 7.452 3.466 ( 2.251 0.000 -1.026) 2.474 3.597 ( -1.635 0.000 -0.731) 1.791 3.686 ( 0.527 0.000 2.279) 2.339 3.775 ( -1.503 0.000 -0.273) 1.528 3.890 ( -4.603 0.000 -4.487) 6.428 3.930 ( 0.159 0.000 0.676) 0.694 3.966 ( -1.596 0.000 0.875) 1.820 4.349 ( 5.647 0.000 0.687) 5.689 4.398 ( 1.522 0.000 -0.243) 1.541 4.451 ( -2.857 0.000 -0.554) 2.910 4.653 ( 1.387 0.000 3.396) 3.668 4.986 ( 0.504 0.000 2.268) 2.323 5.161 ( 0.339 0.000 -0.241) 0.416 5.609 ( -0.584 0.000 2.784) 2.844 5.716 ( 0.103 0.000 1.240) 1.244 6.407 ( -0.038 0.000 0.033) 0.051 6.845 ( 0.001 0.000 0.024) 0.024 7.271 ( 0.167 0.000 0.066) 0.180 7.995 ( -0.152 0.000 -0.276) 0.315 8.012 ( -0.052 0.000 -0.104) 0.116 8.889 ( 0.047 0.000 -0.037) 0.060 8.967 ( -0.097 0.000 0.037) 0.104 9.491 ( 12.552 0.000 2.870) 12.876 10.297 ( -0.476 0.000 -0.289) 0.557 10.412 ( -0.174 0.000 -0.462) 0.494 11.359 ( -5.445 0.000 2.191) 5.869 11.532 ( -0.014 0.000 -3.990) 3.990 ======================= Grid point 133 (63/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -9.003 5.469 9.311) 14.060 0.923 ( 1.692 23.988 5.964) 24.776 1.248 ( 7.075 11.658 1.513) 13.721 1.439 ( -0.709 -1.310 6.729) 6.892 1.703 ( 0.479 8.282 4.599) 9.485 1.910 ( 4.413 -0.299 -3.977) 5.948 2.116 ( -2.836 7.463 1.527) 8.128 2.174 ( 1.745 -1.941 -1.201) 2.873 2.413 ( 2.113 3.437 8.637) 9.533 2.493 ( 4.065 2.100 7.952) 9.174 2.706 ( -1.423 1.161 -5.956) 6.233 2.790 ( -1.391 -1.946 -6.968) 7.368 2.841 ( -1.223 2.119 -0.751) 2.559 2.931 ( 0.151 -0.882 -2.135) 2.315 2.961 ( -2.435 -7.204 -0.375) 7.614 3.018 ( -2.769 -5.363 -3.509) 6.982 3.076 ( -1.641 0.939 -1.305) 2.297 3.163 ( 0.119 -2.365 -2.191) 3.226 3.233 ( -2.625 2.566 -4.013) 5.439 3.286 ( 1.695 -2.201 -2.863) 3.990 3.384 ( 1.154 4.161 0.020) 4.318 3.509 ( -0.065 0.249 -2.463) 2.476 3.550 ( -0.076 1.115 -0.297) 1.156 3.698 ( 1.551 -4.931 4.022) 6.549 3.758 ( 1.565 -1.954 -0.655) 2.587 3.776 ( -2.383 -0.102 0.860) 2.536 3.815 ( 0.034 -4.544 -1.616) 4.823 4.016 ( 0.294 1.897 0.243) 1.934 4.261 ( -1.165 -10.595 -1.025) 10.708 4.401 ( -0.767 0.967 1.222) 1.737 4.463 ( -0.183 3.510 1.551) 3.842 4.732 ( 1.268 3.070 1.324) 3.575 4.813 ( 0.201 -12.894 0.809) 12.921 5.298 ( 0.130 7.700 0.132) 7.702 5.618 ( 0.448 -0.273 1.634) 1.716 5.695 ( 0.522 -2.887 0.703) 3.017 6.526 ( -0.060 9.924 0.341) 9.930 7.112 ( 0.169 18.330 -2.632) 18.519 7.263 ( -0.073 -0.791 -0.009) 0.794 7.998 ( -0.078 0.499 -0.034) 0.506 8.038 ( 0.051 2.263 -0.034) 2.264 8.843 ( 0.172 -10.675 0.869) 10.712 9.129 ( 0.342 19.806 -2.683) 19.990 9.726 ( -0.944 9.511 -0.209) 9.560 10.257 ( 0.049 -2.763 -0.233) 2.773 10.364 ( 0.229 -4.404 -0.309) 4.421 11.243 ( -1.617 -4.209 1.738) 4.832 11.457 ( 1.425 -7.295 -2.385) 7.807 ======================= Grid point 134 (64/90) ======================= q-point: ( 0.14 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 1.707 5.913 9.939) 11.690 1.007 ( 4.811 22.277 -1.206) 22.822 1.342 ( 4.826 8.540 -6.237) 11.625 1.467 ( 0.441 -2.693 1.596) 3.161 1.712 ( -1.842 6.374 0.032) 6.635 1.908 ( -0.848 2.104 -6.782) 7.151 2.036 ( -7.509 4.498 3.949) 9.603 2.216 ( 3.309 -1.269 -3.972) 5.323 2.479 ( -4.507 -0.895 -6.092) 7.631 2.512 ( 4.490 9.176 3.600) 10.832 2.701 ( 1.139 0.551 -4.518) 4.691 2.778 ( 3.394 0.026 2.402) 4.158 2.822 ( -8.124 -2.680 1.567) 8.697 2.844 ( -3.943 -0.771 1.748) 4.382 2.920 ( -0.269 -2.185 3.645) 4.259 2.954 ( 1.100 -6.120 2.535) 6.715 3.096 ( 1.983 2.475 2.784) 4.220 3.185 ( 2.225 -1.981 0.382) 3.004 3.225 ( 2.356 0.820 0.303) 2.513 3.323 ( 0.576 -2.736 -0.333) 2.816 3.345 ( -1.227 2.150 -1.829) 3.078 3.452 ( -2.999 0.241 -0.774) 3.107 3.586 ( 2.416 1.261 -0.021) 2.725 3.710 ( -3.319 -2.224 -1.586) 4.299 3.757 ( 1.588 -6.705 2.065) 7.194 3.826 ( 1.853 -3.437 -1.164) 4.074 3.845 ( 4.660 -0.615 -0.698) 4.752 4.029 ( 1.323 2.603 -0.319) 2.937 4.237 ( -1.278 -8.174 1.448) 8.400 4.374 ( -2.716 0.225 1.313) 3.025 4.471 ( 0.496 2.862 0.850) 3.027 4.740 ( -0.348 3.016 -1.357) 3.325 4.829 ( 0.894 -11.826 -0.127) 11.861 5.295 ( -0.381 7.648 -0.222) 7.661 5.635 ( 0.818 -0.502 -0.407) 1.042 5.708 ( 0.802 -2.902 -0.681) 3.087 6.523 ( -0.358 9.865 0.195) 9.873 7.087 ( -1.279 17.801 -0.900) 17.870 7.263 ( 0.071 -0.599 0.133) 0.618 7.997 ( -0.083 0.459 0.130) 0.484 8.043 ( 0.436 2.540 -0.096) 2.579 8.830 ( -1.823 -11.216 -0.085) 11.364 9.100 ( -1.610 18.139 -1.191) 18.249 9.639 ( -7.662 11.632 1.750) 14.038 10.267 ( 1.053 -2.211 -0.245) 2.461 10.366 ( 0.285 -4.219 -0.395) 4.247 11.279 ( 2.847 -4.517 4.117) 6.742 11.460 ( 1.063 -7.969 -3.966) 8.965 ======================= Grid point 135 (65/90) ======================= q-point: ( 0.29 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 8.845 5.778 -0.608) 10.582 1.071 ( 4.549 19.687 -6.864) 21.340 1.338 ( 1.784 0.539 -12.941) 13.075 1.472 ( -2.155 1.600 2.026) 3.363 1.664 ( -0.290 5.140 -2.843) 5.881 1.810 ( -3.612 1.681 -4.987) 6.383 1.900 ( -9.706 4.374 4.650) 11.618 2.161 ( -3.329 -1.182 -9.838) 10.453 2.424 ( 2.472 3.955 -3.155) 5.631 2.585 ( -5.571 -1.974 1.196) 6.030 2.643 ( -1.538 -3.522 -3.324) 5.081 2.726 ( 5.266 6.716 0.695) 8.563 2.777 ( -3.750 -2.823 3.324) 5.752 2.875 ( 2.449 1.915 4.705) 5.639 3.005 ( 3.949 -1.013 0.513) 4.109 3.065 ( 5.222 -3.929 7.686) 10.089 3.149 ( 0.935 -1.542 1.887) 2.610 3.225 ( -1.726 -1.503 1.810) 2.917 3.246 ( -1.168 1.501 4.099) 4.518 3.336 ( 3.473 -2.042 2.471) 4.727 3.384 ( 2.479 -3.706 1.986) 4.881 3.400 ( -1.404 2.193 0.975) 2.780 3.620 ( 1.048 1.007 -0.301) 1.484 3.647 ( -1.252 -2.021 -0.578) 2.446 3.789 ( 0.924 -7.594 1.325) 7.764 3.840 ( 0.395 -0.061 -3.022) 3.049 3.874 ( -0.139 -1.892 -1.690) 2.541 4.056 ( 0.243 2.201 2.229) 3.141 4.209 ( -3.307 -1.905 0.104) 3.818 4.360 ( 1.853 -2.079 0.542) 2.837 4.507 ( 2.357 1.152 1.482) 3.013 4.707 ( -1.855 4.345 -2.113) 5.176 4.833 ( -0.167 -10.328 -1.243) 10.404 5.282 ( -0.668 7.378 -0.553) 7.429 5.641 ( 0.575 -0.601 -1.732) 1.922 5.713 ( 0.560 -2.929 -1.713) 3.439 6.516 ( -0.466 9.371 0.049) 9.382 7.058 ( -1.354 16.684 -0.038) 16.738 7.267 ( 0.138 0.089 0.272) 0.318 7.999 ( 0.143 0.437 0.291) 0.545 8.050 ( 0.337 2.939 -0.172) 2.964 8.775 ( -3.222 -12.842 -1.145) 13.289 9.064 ( -1.532 15.453 -0.108) 15.529 9.495 ( -7.611 15.849 0.689) 17.596 10.291 ( 1.510 -1.111 0.194) 1.885 10.372 ( 0.471 -3.755 -0.048) 3.785 11.375 ( 1.483 -5.696 6.804) 8.997 11.450 ( 2.526 -8.128 -5.703) 10.246 ======================= Grid point 136 (66/90) ======================= q-point: ( 0.43 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.930 0.755 -10.082) 10.153 1.084 ( 0.994 25.455 -2.933) 25.643 1.236 ( -3.792 -0.705 -10.174) 10.881 1.436 ( -0.195 5.390 -2.612) 5.993 1.682 ( 1.761 1.491 1.652) 2.837 1.748 ( -2.012 2.200 -0.024) 2.981 1.775 ( -1.434 1.675 -1.037) 2.436 2.033 ( -2.849 -2.840 -7.219) 8.264 2.438 ( -2.638 2.074 1.779) 3.798 2.504 ( 0.705 2.792 -1.220) 3.127 2.595 ( -2.208 -4.349 -0.636) 4.919 2.722 ( -2.249 -4.574 1.708) 5.375 2.891 ( 6.234 7.730 -2.095) 10.149 2.950 ( 1.507 -0.084 7.293) 7.447 3.070 ( 1.200 0.371 1.936) 2.307 3.142 ( 0.185 -2.005 0.007) 2.013 3.156 ( -0.451 -3.433 1.843) 3.922 3.196 ( -3.331 -0.269 2.222) 4.013 3.273 ( 1.881 -4.078 2.876) 5.333 3.336 ( -0.095 -3.194 2.462) 4.034 3.423 ( 1.032 -5.015 0.879) 5.195 3.520 ( 6.047 -0.086 6.403) 8.807 3.631 ( 0.491 1.175 -1.373) 1.873 3.659 ( 1.435 -0.580 0.639) 1.675 3.768 ( -2.678 1.721 -5.016) 5.941 3.823 ( 0.300 -5.456 0.797) 5.522 3.877 ( 1.541 0.991 -1.840) 2.597 4.069 ( 0.220 1.143 2.379) 2.649 4.132 ( -3.795 0.170 0.705) 3.864 4.432 ( 4.201 -2.387 0.329) 4.843 4.553 ( -0.211 -1.094 1.413) 1.800 4.650 ( -1.775 6.687 -1.117) 7.008 4.806 ( -1.239 -9.521 -1.991) 9.805 5.267 ( -0.376 7.131 -0.577) 7.164 5.634 ( 0.002 -0.732 -1.644) 1.800 5.706 ( -0.035 -2.903 -1.606) 3.318 6.508 ( -0.306 8.853 0.024) 8.859 7.040 ( -0.327 15.793 -0.092) 15.797 7.271 ( 0.080 0.794 0.287) 0.848 8.004 ( 0.178 0.492 0.311) 0.608 8.053 ( 0.069 3.097 -0.208) 3.105 8.708 ( -2.274 -13.462 -1.433) 13.728 9.046 ( -0.193 14.130 -0.066) 14.132 9.387 ( -3.633 18.369 0.229) 18.727 10.322 ( 1.069 -0.479 0.664) 1.346 10.381 ( 0.444 -3.419 -0.159) 3.451 11.378 ( -2.525 -7.433 2.312) 8.184 11.511 ( 4.262 -7.194 -1.318) 8.465 ======================= Grid point 137 (67/90) ======================= q-point: (-0.43 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -6.848 2.438 0.505) 7.286 1.049 ( -3.968 28.894 -0.344) 29.168 1.092 ( -6.164 1.596 0.312) 6.375 1.419 ( 0.349 2.274 -1.232) 2.610 1.715 ( 0.356 2.836 -1.176) 3.091 1.728 ( 1.204 -2.204 0.542) 2.569 1.864 ( 10.276 2.708 -6.065) 12.236 1.962 ( -1.308 -2.330 -0.993) 2.851 2.439 ( 0.724 2.951 1.664) 3.465 2.451 ( -5.906 0.850 2.818) 6.599 2.592 ( 1.623 -1.008 0.308) 1.935 2.736 ( 2.966 -3.298 0.275) 4.444 2.868 ( -4.989 5.709 -0.941) 7.640 2.981 ( -2.653 -2.383 3.204) 4.794 3.075 ( -1.898 -0.719 3.365) 3.930 3.148 ( -0.101 -4.492 0.320) 4.504 3.156 ( -0.132 -1.527 0.423) 1.590 3.239 ( 6.309 0.231 -1.352) 6.457 3.292 ( 1.855 -1.909 0.458) 2.701 3.402 ( -0.032 -7.035 -0.190) 7.038 3.419 ( 0.120 -5.861 0.154) 5.864 3.591 ( -4.701 2.319 -1.173) 5.372 3.652 ( 0.177 2.800 1.284) 3.085 3.666 ( 4.519 -0.819 0.194) 4.597 3.728 ( 1.765 1.270 -6.181) 6.552 3.811 ( -0.429 -7.610 -1.269) 7.727 3.889 ( 0.536 4.584 0.161) 4.619 4.066 ( -1.725 0.653 2.942) 3.472 4.151 ( 4.172 -0.152 -0.490) 4.204 4.445 ( -4.786 -1.652 -1.187) 5.200 4.533 ( 0.140 -0.358 2.583) 2.611 4.649 ( 0.486 5.849 0.208) 5.873 4.778 ( -0.336 -10.083 -0.042) 10.089 5.263 ( 0.307 7.040 -0.248) 7.051 5.620 ( -0.690 -0.699 -0.430) 1.072 5.692 ( -0.591 -2.842 -0.468) 2.941 6.506 ( 0.046 8.692 0.196) 8.695 7.047 ( 1.317 15.963 -0.669) 16.032 7.273 ( -0.061 0.996 0.143) 1.008 8.007 ( -0.071 0.481 0.093) 0.495 8.051 ( -0.105 3.009 -0.088) 3.012 8.690 ( 1.152 -13.485 0.062) 13.534 9.056 ( 1.550 14.805 -0.957) 14.916 9.371 ( 1.354 18.783 1.740) 18.912 10.330 ( -0.606 -0.632 0.095) 0.881 10.384 ( 0.173 -3.332 -0.603) 3.390 11.351 ( -2.288 -7.475 3.533) 8.578 11.550 ( 1.351 -7.251 -3.532) 8.178 ======================= Grid point 138 (68/90) ======================= q-point: (-0.29 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.550 7.623 9.565) 12.244 0.956 ( -4.932 26.248 4.126) 27.024 1.021 ( -6.295 1.761 9.287) 11.356 1.431 ( -1.110 2.595 4.007) 4.901 1.692 ( -1.033 2.871 -3.049) 4.313 1.762 ( 1.814 -1.365 1.324) 2.628 1.986 ( 3.876 -2.440 3.434) 5.724 2.031 ( 10.045 7.146 -4.962) 13.289 2.332 ( -6.361 2.483 4.428) 8.138 2.452 ( -5.425 5.980 5.954) 10.032 2.682 ( 9.435 -1.545 -2.153) 9.801 2.764 ( -0.589 -0.696 -1.530) 1.781 2.847 ( 4.681 -3.319 -2.517) 6.266 2.934 ( -3.103 -1.606 1.347) 3.745 3.031 ( -3.644 -1.781 -0.954) 4.167 3.140 ( -0.561 -4.524 0.927) 4.652 3.160 ( 0.260 1.624 -2.710) 3.170 3.284 ( -2.078 -3.200 -5.509) 6.701 3.349 ( 3.557 0.164 -2.383) 4.285 3.371 ( 1.419 -1.831 -0.116) 2.319 3.397 ( -2.664 -4.550 -1.156) 5.398 3.487 ( -4.016 1.330 -4.194) 5.957 3.613 ( -2.080 0.518 -1.430) 2.577 3.702 ( -0.884 -1.367 -1.793) 2.422 3.756 ( 2.387 -0.734 0.269) 2.512 3.828 ( 1.127 -5.627 0.322) 5.748 3.877 ( -0.162 1.151 -1.404) 1.823 4.089 ( -0.318 1.904 -0.633) 2.032 4.186 ( 0.835 -1.759 1.347) 2.368 4.371 ( -0.137 -1.091 -0.388) 1.166 4.517 ( -3.488 0.420 1.208) 3.715 4.667 ( 0.923 3.939 1.115) 4.196 4.791 ( 0.295 -10.412 2.439) 10.698 5.274 ( 0.739 7.152 0.173) 7.192 5.605 ( -1.061 -0.343 1.337) 1.741 5.681 ( -0.652 -2.828 0.909) 3.041 6.512 ( 0.300 8.979 0.398) 8.993 7.078 ( 2.690 17.043 -1.907) 17.360 7.271 ( -0.183 0.544 -0.062) 0.577 8.004 ( -0.206 0.402 -0.141) 0.473 8.047 ( -0.267 2.770 0.048) 2.783 8.744 ( 3.221 -13.491 1.643) 13.967 9.087 ( 2.822 16.766 -2.378) 17.167 9.470 ( 7.215 17.394 3.111) 19.086 10.303 ( -1.721 -1.216 -0.670) 2.211 10.379 ( -0.220 -3.643 -0.768) 3.730 11.337 ( -2.745 -7.105 5.169) 9.205 11.515 ( -0.878 -6.919 -6.475) 9.516 ======================= Grid point 139 (69/90) ======================= q-point: (-0.14 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -2.516 21.864 9.080) 23.808 0.909 ( -6.230 4.917 -0.588) 7.958 1.063 ( 4.303 9.968 15.953) 19.297 1.420 ( -4.887 3.849 12.273) 13.760 1.672 ( 0.925 6.010 -1.222) 6.203 1.829 ( 4.604 -1.877 0.045) 4.972 2.110 ( 3.598 1.517 5.037) 6.373 2.139 ( 4.352 6.158 -5.469) 9.316 2.304 ( -0.374 0.703 8.600) 8.636 2.413 ( -1.369 6.129 6.584) 9.098 2.734 ( 0.446 -1.020 -4.550) 4.684 2.852 ( 6.854 -1.885 -1.662) 7.300 2.888 ( -2.325 0.619 -2.539) 3.498 2.915 ( 1.040 -1.918 -3.389) 4.031 2.949 ( 0.535 -4.229 -1.046) 4.389 3.068 ( -2.825 -2.122 -7.788) 8.552 3.138 ( -0.940 -3.617 -1.633) 4.078 3.268 ( -6.754 -2.340 -4.469) 8.430 3.285 ( 2.275 0.162 0.284) 2.298 3.326 ( -1.679 -0.698 -3.569) 4.006 3.355 ( -1.732 3.369 -4.068) 5.559 3.477 ( 3.534 1.590 -2.696) 4.721 3.583 ( -1.565 -0.602 0.264) 1.697 3.663 ( -0.390 -3.052 0.682) 3.152 3.769 ( -1.546 -2.225 0.529) 2.760 3.816 ( -1.012 -4.382 -0.755) 4.560 3.869 ( -2.336 -1.707 -2.572) 3.871 4.016 ( -2.634 2.213 1.875) 3.918 4.259 ( 2.798 -7.099 0.598) 7.654 4.394 ( 1.403 -0.972 -0.919) 1.939 4.462 ( -1.932 2.824 1.554) 3.758 4.693 ( 0.732 4.048 2.712) 4.927 4.807 ( -0.327 -11.686 1.981) 11.857 5.289 ( 0.605 7.436 0.330) 7.468 5.603 ( -0.527 -0.084 2.417) 2.475 5.682 ( -0.093 -2.876 1.467) 3.230 6.521 ( 0.239 9.506 0.435) 9.519 7.110 ( 2.269 18.027 -3.201) 18.449 7.266 ( -0.210 -0.286 -0.124) 0.376 8.000 ( -0.068 0.418 -0.151) 0.449 8.042 ( -0.333 2.437 0.036) 2.460 8.811 ( 2.204 -12.030 1.634) 12.339 9.121 ( 2.524 18.916 -3.188) 19.348 9.650 ( 8.370 12.607 0.574) 15.143 10.270 ( -1.123 -2.271 -0.423) 2.569 10.367 ( -0.352 -4.025 -0.515) 4.073 11.298 ( -4.536 -5.708 2.888) 7.842 11.460 ( 0.062 -6.650 -4.349) 7.946 ======================= Grid point 140 (70/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -5.446 11.731 6.980) 14.697 1.288 ( 3.331 11.732 8.325) 14.766 1.459 ( -1.424 8.550 8.639) 12.238 1.703 ( 2.328 22.393 -4.404) 22.940 1.843 ( 1.152 3.706 0.274) 3.890 1.894 ( 5.150 -0.070 -3.476) 6.214 2.133 ( -1.911 -0.041 -0.191) 1.921 2.318 ( -0.122 7.139 -1.058) 7.218 2.433 ( 3.368 2.394 8.321) 9.291 2.644 ( 2.388 -3.176 2.792) 4.857 2.663 ( 2.814 6.024 5.559) 8.667 2.732 ( -4.912 -3.375 -4.712) 7.597 2.795 ( -1.836 -6.675 -0.833) 6.973 2.835 ( 0.884 -0.895 -3.380) 3.607 2.919 ( -0.571 1.049 0.097) 1.198 2.978 ( -4.047 0.436 -5.973) 7.229 3.068 ( 0.828 -5.335 -0.343) 5.410 3.097 ( 0.594 -2.008 0.782) 2.235 3.245 ( -2.091 0.923 -5.162) 5.645 3.329 ( -2.422 4.383 -1.317) 5.177 3.449 ( 1.373 1.380 -0.701) 2.069 3.510 ( -1.100 -4.356 1.219) 4.656 3.528 ( 1.113 -3.538 -2.538) 4.494 3.582 ( 1.807 1.326 -0.697) 2.347 3.666 ( -0.417 -4.527 -1.529) 4.796 3.798 ( -1.232 0.049 -1.221) 1.735 3.808 ( 0.300 2.526 0.739) 2.649 4.004 ( 0.935 -4.604 1.958) 5.090 4.089 ( -1.248 -4.040 -3.591) 5.547 4.395 ( -0.295 -4.710 1.484) 4.947 4.514 ( -0.144 1.328 1.426) 1.954 4.545 ( -0.051 -9.371 0.483) 9.384 4.857 ( 0.549 8.012 0.884) 8.079 5.440 ( 0.218 5.824 0.266) 5.834 5.606 ( 0.428 -4.845 1.194) 5.008 5.624 ( 0.377 -0.288 0.774) 0.907 6.768 ( -0.011 12.518 0.681) 12.537 7.253 ( -0.187 0.117 -0.106) 0.245 7.461 ( 0.166 14.910 -1.296) 14.967 7.998 ( -0.136 -0.722 0.140) 0.748 8.084 ( 0.040 1.482 0.054) 1.483 8.565 ( 0.353 -14.945 0.882) 14.975 9.580 ( 0.455 21.335 -2.365) 21.471 9.981 ( -1.235 13.668 0.547) 13.734 10.198 ( 0.676 -1.883 -1.551) 2.532 10.248 ( -0.057 -5.945 -0.292) 5.953 11.113 ( -1.131 -8.454 3.555) 9.241 11.247 ( 0.662 -12.271 -3.782) 12.858 ======================= Grid point 141 (71/90) ======================= q-point: ( 0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -0.768 10.599 8.410) 13.552 1.353 ( 0.612 11.441 -4.793) 12.420 1.477 ( -0.578 4.220 5.321) 6.816 1.694 ( -0.102 20.162 -4.522) 20.663 1.829 ( -1.430 4.762 -2.600) 5.611 1.923 ( 0.670 -0.658 -6.538) 6.605 2.119 ( -0.942 3.723 2.292) 4.472 2.298 ( -0.778 7.054 -1.974) 7.367 2.455 ( -3.023 0.138 -2.876) 4.175 2.653 ( -3.511 -0.108 2.919) 4.567 2.657 ( -1.870 -6.341 -1.769) 6.844 2.763 ( -1.660 -4.104 1.063) 4.553 2.778 ( 3.846 -0.213 1.923) 4.305 2.825 ( -1.789 2.565 -2.370) 3.924 2.857 ( -1.132 2.385 2.171) 3.418 2.930 ( 3.874 2.419 1.402) 4.778 3.104 ( 0.137 -3.798 -0.112) 3.802 3.131 ( 3.883 -5.339 0.534) 6.623 3.223 ( 0.311 0.675 3.915) 3.985 3.288 ( -1.726 2.359 0.673) 2.999 3.379 ( -4.771 0.447 -0.626) 4.833 3.505 ( -0.834 3.634 -0.278) 3.739 3.539 ( 0.795 -8.136 -1.317) 8.280 3.610 ( 1.503 -0.784 -1.557) 2.302 3.660 ( -0.287 -3.294 0.527) 3.348 3.809 ( 1.945 -0.238 1.509) 2.473 3.841 ( 2.246 0.830 -0.828) 2.534 4.056 ( 3.268 -1.513 -0.445) 3.629 4.077 ( 1.634 -5.164 0.765) 5.470 4.362 ( -3.298 -3.673 0.547) 4.966 4.500 ( -0.874 -0.728 0.710) 1.341 4.586 ( 2.640 -7.756 0.203) 8.196 4.866 ( 0.168 7.740 -0.594) 7.765 5.436 ( -0.546 5.806 -0.347) 5.842 5.620 ( 0.605 -5.637 -0.449) 5.687 5.634 ( 0.480 0.079 -0.423) 0.645 6.766 ( -0.528 12.564 0.216) 12.577 7.258 ( 0.551 0.281 0.324) 0.699 7.445 ( -0.997 15.721 -0.681) 15.768 7.997 ( -0.087 -0.647 0.293) 0.715 8.093 ( 0.866 1.645 -0.060) 1.860 8.552 ( -1.849 -14.590 -0.413) 14.712 9.534 ( -3.403 21.214 -1.534) 21.539 9.932 ( -4.504 15.300 2.297) 16.113 10.220 ( 2.494 -1.528 -1.261) 3.185 10.256 ( 0.891 -5.606 -0.041) 5.677 11.145 ( 1.440 -8.300 4.645) 9.620 11.231 ( 0.348 -13.475 -3.885) 14.028 ======================= Grid point 142 (72/90) ======================= q-point: ( 0.29 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 5.159 6.741 1.493) 8.619 1.281 ( -1.241 3.396 -9.163) 9.851 1.446 ( -2.242 4.864 -5.657) 7.791 1.693 ( 0.821 13.784 3.150) 14.163 1.784 ( -0.466 6.803 -4.132) 7.973 1.868 ( -0.865 4.284 -5.964) 7.394 2.011 ( -10.403 8.706 -1.435) 13.641 2.218 ( -4.396 5.700 -6.230) 9.520 2.472 ( 6.019 1.953 -0.417) 6.341 2.516 ( -6.801 -3.927 0.339) 7.861 2.595 ( -6.965 -0.351 -1.409) 7.115 2.697 ( -2.666 -3.654 2.805) 5.323 2.837 ( 5.238 -7.251 3.650) 9.661 2.898 ( 3.616 -0.429 2.977) 4.704 2.953 ( 5.712 8.452 -0.719) 10.227 3.032 ( 4.335 -4.006 -0.489) 5.923 3.086 ( -1.224 -2.266 1.525) 2.993 3.177 ( -0.162 -6.903 0.201) 6.907 3.215 ( -2.447 -3.126 1.387) 4.205 3.287 ( -2.178 0.327 1.660) 2.758 3.348 ( 0.850 -0.480 5.336) 5.425 3.479 ( -2.721 4.089 3.357) 5.949 3.530 ( 1.382 -7.053 -2.899) 7.750 3.611 ( 0.399 -2.493 -1.649) 3.016 3.729 ( 3.827 4.083 8.316) 10.023 3.850 ( 2.112 0.640 -3.109) 3.813 3.865 ( 1.197 0.679 -0.439) 1.444 4.082 ( -0.404 -0.852 3.221) 3.356 4.147 ( 2.210 -4.369 -0.071) 4.896 4.308 ( -0.771 -2.771 -1.463) 3.227 4.505 ( 0.593 -1.626 1.185) 2.098 4.626 ( 1.548 -6.781 -0.819) 7.003 4.854 ( -0.601 8.030 -1.595) 8.209 5.417 ( -0.890 5.541 -0.835) 5.674 5.622 ( 0.347 -5.846 -1.500) 6.046 5.634 ( 0.146 -0.291 -1.419) 1.456 6.754 ( -0.733 12.586 -0.135) 12.608 7.274 ( 0.720 0.867 0.531) 1.245 7.419 ( -1.226 16.492 -0.182) 16.539 8.001 ( 0.222 -0.430 0.467) 0.672 8.109 ( 0.768 1.993 -0.238) 2.150 8.498 ( -2.739 -13.361 -1.476) 13.718 9.457 ( -3.489 20.275 -0.186) 20.574 9.854 ( -4.931 17.642 1.790) 18.405 10.268 ( 2.959 -0.679 -0.415) 3.064 10.277 ( 1.041 -4.593 0.223) 4.715 11.191 ( -1.674 -12.681 1.755) 12.910 11.233 ( 3.841 -11.087 -0.298) 11.738 ======================= Grid point 143 (73/90) ======================= q-point: ( 0.43 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -3.017 2.489 -9.089) 9.895 1.240 ( -0.144 2.182 -5.986) 6.373 1.422 ( 2.894 1.702 1.566) 3.705 1.714 ( -2.172 3.372 3.176) 5.116 1.750 ( -5.957 19.971 -4.255) 21.271 1.793 ( 3.505 4.847 -6.597) 8.905 1.856 ( -1.196 9.126 -2.634) 9.573 2.088 ( -3.602 6.058 -5.976) 9.241 2.428 ( -3.266 -1.490 1.501) 3.891 2.469 ( -2.547 -5.746 -0.206) 6.288 2.613 ( 6.076 5.795 -1.133) 8.473 2.676 ( -2.687 -0.166 3.315) 4.271 2.923 ( 0.028 -6.479 2.641) 6.997 2.973 ( 3.200 -5.259 1.102) 6.254 3.016 ( -1.531 -4.976 1.083) 5.317 3.045 ( 2.256 1.890 -1.993) 3.554 3.113 ( 0.367 -1.913 0.394) 1.987 3.181 ( 1.424 -3.058 4.511) 5.633 3.194 ( -3.784 -1.512 1.518) 4.349 3.235 ( 0.778 -6.915 -1.222) 7.065 3.382 ( -4.884 1.086 7.315) 8.862 3.497 ( 4.409 -0.253 2.464) 5.057 3.575 ( 3.223 -6.983 0.973) 7.752 3.617 ( 1.043 -0.100 -0.881) 1.369 3.789 ( -0.280 3.742 -3.380) 5.050 3.839 ( 0.062 1.012 -6.770) 6.845 3.951 ( 4.510 6.075 8.585) 11.444 4.094 ( -1.136 -0.503 3.715) 3.917 4.130 ( -1.467 -0.814 -0.683) 1.811 4.331 ( 2.532 -6.221 -1.053) 6.798 4.521 ( -0.453 -1.831 1.655) 2.509 4.632 ( 0.057 -5.272 -1.593) 5.508 4.826 ( -0.892 8.702 -1.581) 8.889 5.397 ( -0.498 5.187 -0.826) 5.276 5.614 ( -0.139 -5.653 -1.288) 5.799 5.622 ( -0.221 -0.864 -1.526) 1.768 6.740 ( -0.492 12.585 -0.120) 12.596 7.288 ( 0.264 1.768 0.351) 1.822 7.403 ( -0.270 16.407 -0.054) 16.409 8.010 ( 0.206 -0.201 0.509) 0.585 8.116 ( 0.192 2.218 -0.308) 2.248 8.443 ( -1.590 -11.981 -1.480) 12.176 9.416 ( -0.569 19.587 -0.041) 19.596 9.786 ( -2.915 19.141 1.309) 19.406 10.293 ( 0.313 -3.787 0.431) 3.825 10.316 ( 1.897 -0.318 -0.291) 1.945 11.158 ( -1.854 -13.218 0.203) 13.348 11.308 ( 2.836 -11.815 1.083) 12.199 ======================= Grid point 144 (74/90) ======================= q-point: (-0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -1.709 2.267 -0.860) 2.966 1.159 ( -5.103 5.180 0.095) 7.272 1.448 ( -3.856 -1.874 0.179) 4.291 1.628 ( -2.482 19.492 4.226) 20.099 1.729 ( 3.502 4.527 -2.319) 6.175 1.823 ( -0.747 8.571 0.328) 8.610 1.881 ( 7.030 6.537 -8.938) 13.116 2.054 ( 4.085 6.593 -1.886) 7.982 2.406 ( -0.123 -2.337 2.195) 3.209 2.501 ( 5.831 -3.523 -1.770) 7.039 2.578 ( -6.376 5.482 1.600) 8.559 2.725 ( 3.472 1.417 -1.063) 3.898 2.908 ( -3.040 -6.606 2.345) 7.641 2.971 ( -4.276 -7.770 0.738) 8.899 2.998 ( -2.438 3.083 2.976) 4.930 3.024 ( -1.556 -5.731 0.802) 5.992 3.129 ( 1.847 -0.808 -0.970) 2.237 3.200 ( 0.258 -5.801 0.052) 5.807 3.218 ( 2.802 -2.838 1.366) 4.216 3.255 ( 1.173 -5.235 -1.604) 5.600 3.368 ( -0.975 -0.351 8.089) 8.155 3.572 ( 3.164 -0.338 -8.716) 9.279 3.623 ( -0.579 -4.550 1.811) 4.931 3.652 ( 1.121 -2.756 5.799) 6.518 3.745 ( -0.097 4.154 -3.215) 5.254 3.767 ( -1.343 0.918 -7.369) 7.547 4.055 ( 0.598 8.907 1.180) 9.004 4.084 ( -0.263 0.353 3.306) 3.335 4.144 ( 2.446 -1.440 -0.630) 2.907 4.334 ( -2.144 -7.926 -1.629) 8.371 4.515 ( -0.997 -1.211 2.498) 2.950 4.613 ( -1.136 -4.710 -0.392) 4.861 4.808 ( -0.287 8.725 -0.047) 8.730 5.391 ( 0.308 4.971 -0.303) 4.990 5.601 ( -0.484 -5.400 -0.278) 5.429 5.608 ( -0.416 -0.929 -0.409) 1.097 6.736 ( 0.021 12.548 0.253) 12.550 7.289 ( -0.251 2.056 0.160) 2.078 7.409 ( 1.075 15.832 -0.528) 15.877 8.013 ( -0.221 -0.155 0.272) 0.383 8.113 ( -0.311 2.185 -0.078) 2.208 8.429 ( 0.861 -11.658 -0.276) 11.693 9.433 ( 2.861 19.610 -1.643) 19.885 9.776 ( 0.780 19.354 2.243) 19.499 10.292 ( -0.794 -3.718 0.407) 3.823 10.327 ( -0.231 -0.455 -1.125) 1.236 11.133 ( -1.512 -12.921 2.061) 13.171 11.343 ( 0.837 -12.207 -1.586) 12.338 ======================= Grid point 145 (75/90) ======================= q-point: (-0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 4.522 6.070 8.649) 11.493 1.073 ( -5.750 5.548 5.455) 9.675 1.353 ( -4.231 8.337 1.974) 9.555 1.679 ( 3.083 15.436 4.424) 16.351 1.777 ( -0.630 4.450 1.806) 4.843 1.804 ( 1.384 6.229 -3.274) 7.172 1.972 ( 6.734 5.648 0.595) 8.809 2.181 ( 9.017 7.088 -2.545) 11.748 2.390 ( -6.818 2.982 5.214) 9.086 2.512 ( 1.344 0.939 -0.377) 1.682 2.638 ( 9.393 -1.937 -2.948) 10.033 2.751 ( 0.838 -3.132 -0.792) 3.337 2.813 ( -7.996 -1.016 2.122) 8.335 2.908 ( -1.595 -9.285 -0.514) 9.435 2.961 ( -2.988 2.719 3.343) 5.244 3.031 ( 1.122 -3.182 -1.196) 3.580 3.156 ( 0.880 -2.698 -3.416) 4.441 3.191 ( -1.260 -7.854 -1.142) 8.036 3.230 ( 1.890 -3.152 -0.827) 3.768 3.322 ( 4.080 -2.513 -0.906) 4.876 3.414 ( 0.067 0.414 5.060) 5.078 3.507 ( -1.639 1.029 -8.293) 8.515 3.588 ( -1.849 -3.945 -2.452) 4.999 3.625 ( -2.323 -1.000 -4.135) 4.848 3.765 ( 0.587 0.865 3.683) 3.828 3.780 ( 2.261 0.851 2.018) 3.148 3.965 ( -5.330 5.524 -5.535) 9.463 4.137 ( -2.808 -0.023 -1.854) 3.365 4.156 ( 1.497 -0.809 -1.209) 2.087 4.277 ( 0.436 -7.149 0.698) 7.196 4.512 ( -1.258 -1.258 1.043) 2.062 4.593 ( -1.406 -5.328 2.005) 5.864 4.815 ( 0.278 8.246 1.755) 8.435 5.403 ( 0.896 5.081 0.390) 5.175 5.593 ( -0.555 -5.516 0.814) 5.603 5.603 ( -0.358 -0.108 1.211) 1.267 6.744 ( 0.418 12.491 0.700) 12.518 7.280 ( -0.702 1.283 -0.034) 1.462 7.432 ( 1.876 15.306 -1.265) 15.472 8.007 ( -0.420 -0.350 0.014) 0.547 8.104 ( -0.698 1.948 0.173) 2.077 8.468 ( 2.630 -12.770 1.140) 13.088 9.490 ( 4.666 20.019 -3.242) 20.809 9.846 ( 4.486 17.844 2.509) 18.570 10.266 ( -2.160 -3.187 0.023) 3.851 10.299 ( -1.237 -1.951 -1.805) 2.932 11.128 ( -1.453 -12.596 3.878) 13.260 11.320 ( -0.738 -11.431 -4.382) 12.265 ======================= Grid point 146 (76/90) ======================= q-point: (-0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -4.442 7.684 4.324) 9.873 1.152 ( 4.026 8.602 11.510) 14.923 1.371 ( 1.813 13.195 9.542) 16.384 1.719 ( -2.755 19.128 0.706) 19.338 1.783 ( 3.815 3.728 1.382) 5.511 1.838 ( 2.963 2.953 -2.375) 4.810 2.117 ( 4.177 3.317 4.437) 6.938 2.297 ( 2.212 4.937 -1.529) 5.622 2.327 ( 1.513 4.246 3.512) 5.714 2.555 ( 0.594 6.185 6.823) 9.228 2.687 ( -4.877 -5.932 0.191) 7.682 2.767 ( 4.651 -5.800 -2.167) 7.744 2.792 ( 2.845 -4.210 -0.825) 5.148 2.884 ( -0.988 -0.639 -0.430) 1.253 2.920 ( -1.342 -1.464 -3.721) 4.218 3.020 ( 1.029 -0.627 -6.190) 6.306 3.096 ( -2.111 -3.441 -1.627) 4.353 3.154 ( -3.449 -6.111 -2.442) 7.430 3.306 ( 3.409 -0.514 0.268) 3.458 3.315 ( 0.126 1.957 -3.630) 4.126 3.434 ( -0.575 1.864 1.302) 2.345 3.496 ( 4.196 -1.991 -5.117) 6.911 3.530 ( -2.288 -4.114 -0.456) 4.729 3.578 ( -1.105 -0.099 0.403) 1.180 3.743 ( -4.077 1.117 -3.702) 5.619 3.810 ( -0.257 1.582 0.371) 1.645 3.852 ( -1.920 0.571 -2.674) 3.341 4.021 ( -5.386 -2.265 1.818) 6.120 4.146 ( -0.818 -4.694 -4.328) 6.437 4.347 ( 3.575 -4.805 1.822) 6.260 4.498 ( -0.208 0.012 0.830) 0.856 4.573 ( -2.265 -6.983 1.572) 7.508 4.837 ( 0.462 8.227 2.051) 8.491 5.425 ( 0.875 5.511 0.670) 5.620 5.594 ( -0.239 -4.781 1.608) 5.049 5.611 ( 0.042 -0.329 1.661) 1.693 6.758 ( 0.408 12.478 0.891) 12.517 7.265 ( -0.760 0.486 -0.237) 0.932 7.456 ( 1.446 14.766 -1.602) 14.923 8.000 ( -0.193 -0.597 0.009) 0.627 8.091 ( -0.748 1.634 0.164) 1.805 8.529 ( 2.345 -14.249 1.592) 14.528 9.553 ( 3.933 20.651 -3.052) 21.242 9.949 ( 4.151 14.920 0.583) 15.498 10.220 ( -1.809 -2.262 -1.001) 3.064 10.265 ( -1.118 -4.456 -1.054) 4.713 11.123 ( -2.180 -11.057 4.161) 12.014 11.272 ( -0.308 -10.889 -5.005) 11.988 ======================= Grid point 147 (77/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -2.419 14.821 4.035) 15.550 1.504 ( 3.891 8.827 8.786) 13.048 1.651 ( -4.141 6.634 8.077) 11.243 1.816 ( 1.290 -3.458 0.235) 3.698 1.949 ( 5.837 4.848 -5.024) 9.100 2.061 ( 1.414 9.004 -2.384) 9.421 2.143 ( -2.719 0.447 0.956) 2.917 2.366 ( -0.632 -6.104 -1.206) 6.254 2.441 ( 1.063 2.165 -1.069) 2.638 2.586 ( 1.030 -4.015 2.832) 5.020 2.630 ( 0.083 1.057 1.690) 1.996 2.717 ( 1.460 0.815 -4.686) 4.975 2.800 ( -3.602 -4.448 0.571) 5.752 2.845 ( 2.938 0.673 -1.988) 3.611 2.951 ( 0.609 -1.409 -0.125) 1.540 2.957 ( -0.064 0.961 1.973) 2.195 3.039 ( -0.216 2.302 -2.132) 3.145 3.089 ( -1.382 9.798 2.754) 10.271 3.289 ( 0.352 1.330 3.345) 3.616 3.382 ( -4.000 0.489 1.812) 4.418 3.405 ( -0.272 -1.892 -0.076) 1.913 3.438 ( 0.243 -1.377 0.632) 1.534 3.522 ( 5.217 -2.252 -3.766) 6.817 3.580 ( -5.301 -3.503 -8.070) 10.271 3.643 ( 0.780 4.921 -0.566) 5.014 3.793 ( -2.122 -0.222 -3.135) 3.792 3.863 ( 0.583 -0.857 0.754) 1.282 3.892 ( 1.120 -1.820 -2.093) 2.991 4.016 ( 1.009 -4.777 2.344) 5.416 4.154 ( -1.915 -12.278 -2.230) 12.625 4.501 ( -0.051 0.771 0.547) 0.947 4.527 ( -0.074 0.029 1.080) 1.083 5.044 ( 0.415 9.705 0.577) 9.731 5.458 ( 0.425 -8.670 0.891) 8.726 5.542 ( 0.264 3.837 0.273) 3.856 5.625 ( 0.307 -0.332 0.810) 0.928 7.024 ( 0.048 11.402 0.431) 11.410 7.263 ( -0.179 0.129 -0.043) 0.225 7.745 ( 0.166 12.307 -0.224) 12.311 7.977 ( -0.172 -0.499 0.097) 0.536 8.077 ( 0.038 -2.575 0.084) 2.576 8.255 ( 0.160 -13.837 0.354) 13.843 9.946 ( 0.213 10.469 -1.245) 10.545 10.107 ( -0.294 -4.050 0.321) 4.074 10.189 ( -0.153 7.679 2.360) 8.035 10.348 ( -0.090 14.360 -3.214) 14.716 10.876 ( 0.127 -14.163 4.376) 14.824 10.980 ( -0.604 -12.684 -4.129) 13.353 ======================= Grid point 148 (78/90) ======================= q-point: ( 0.14 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -3.038 14.460 5.263) 15.685 1.548 ( -3.944 6.537 -7.320) 10.577 1.597 ( -3.194 5.423 4.676) 7.840 1.784 ( -3.760 -7.301 1.171) 8.295 1.977 ( 0.608 6.613 -8.242) 10.585 2.039 ( 0.065 11.087 -1.300) 11.164 2.221 ( 7.233 3.748 3.216) 8.758 2.354 ( -0.916 -3.489 1.455) 3.890 2.475 ( 3.803 -0.044 -1.652) 4.147 2.519 ( -6.564 -1.974 -1.104) 6.942 2.627 ( -2.272 -1.848 -2.054) 3.577 2.712 ( -5.979 -3.145 0.227) 6.760 2.780 ( 6.300 2.291 0.600) 6.731 2.852 ( -7.596 0.035 0.940) 7.654 2.908 ( 2.943 -2.213 -3.101) 4.814 2.967 ( 1.736 -1.866 1.605) 3.012 2.988 ( -2.428 -1.103 -0.088) 2.668 3.137 ( 0.759 9.463 0.063) 9.493 3.291 ( -2.390 3.216 3.829) 5.543 3.326 ( -1.933 1.086 0.578) 2.291 3.369 ( -4.828 -0.898 -0.867) 4.987 3.401 ( -2.123 -4.485 0.398) 4.978 3.512 ( 0.560 -3.663 -2.013) 4.217 3.628 ( 6.211 -0.023 3.382) 7.072 3.668 ( 2.809 6.568 -0.826) 7.192 3.782 ( 1.230 -1.322 2.680) 3.232 3.884 ( 1.240 2.127 -1.201) 2.739 3.947 ( 5.304 -5.286 -1.904) 7.726 4.036 ( 0.280 -2.449 -1.325) 2.799 4.152 ( 1.698 -12.952 2.834) 13.366 4.491 ( -1.083 0.936 0.124) 1.437 4.536 ( 0.526 -0.727 0.289) 0.943 5.050 ( 0.119 9.651 -0.552) 9.667 5.466 ( 0.246 -8.822 -0.494) 8.839 5.539 ( -0.480 3.924 -0.423) 3.976 5.631 ( 0.092 -0.594 -0.344) 0.692 7.023 ( -0.278 11.509 0.044) 11.512 7.269 ( 0.639 0.063 0.331) 0.723 7.743 ( -0.172 12.758 -0.380) 12.765 7.978 ( 0.131 -0.421 0.350) 0.563 8.088 ( 0.994 -2.588 -0.057) 2.773 8.251 ( -0.639 -13.412 -0.193) 13.428 9.911 ( -2.929 12.475 -0.815) 12.840 10.107 ( -0.162 -2.807 0.646) 2.884 10.225 ( 2.127 6.480 1.806) 7.055 10.324 ( -0.417 13.955 -1.478) 14.039 10.899 ( -0.625 -15.731 1.598) 15.824 10.954 ( 0.477 -11.835 -0.654) 11.863 ======================= Grid point 149 (79/90) ======================= q-point: ( 0.29 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 2.077 11.890 3.007) 12.439 1.357 ( -7.213 3.935 -11.253) 13.934 1.489 ( -6.909 -0.851 -4.537) 8.309 1.726 ( -1.995 -6.751 -1.629) 7.226 1.952 ( 1.762 8.978 -3.620) 9.839 2.061 ( 1.881 12.650 -0.016) 12.790 2.242 ( -4.710 8.561 -2.847) 10.177 2.325 ( -7.367 2.587 0.062) 7.809 2.454 ( -0.187 -2.171 2.525) 3.335 2.527 ( -0.056 0.218 -2.134) 2.145 2.580 ( 3.126 -1.030 -1.082) 3.465 2.634 ( -1.715 -3.470 2.851) 4.807 2.706 ( -3.569 -1.490 -0.781) 3.945 2.876 ( 0.341 -9.349 -5.926) 11.074 2.914 ( 1.747 2.112 2.346) 3.608 2.989 ( 0.051 -3.353 -0.604) 3.408 3.020 ( 2.631 -3.033 1.356) 4.238 3.149 ( 0.840 5.679 4.022) 7.009 3.242 ( -4.576 3.049 1.111) 5.610 3.272 ( -6.037 -1.186 -0.173) 6.154 3.326 ( 0.208 -1.147 4.003) 4.170 3.372 ( 1.589 -6.104 0.692) 6.345 3.507 ( -1.214 -1.296 0.711) 1.913 3.695 ( 2.420 8.963 -1.156) 9.356 3.801 ( 5.207 -3.422 1.595) 6.432 3.884 ( 1.855 1.287 -1.860) 2.925 3.889 ( 3.966 4.993 8.207) 10.393 3.991 ( -0.155 -4.911 -1.842) 5.248 4.047 ( 2.712 -5.119 -0.850) 5.855 4.224 ( 2.368 -5.559 3.778) 7.126 4.478 ( -0.020 0.337 0.231) 0.409 4.549 ( 0.827 -2.084 -0.507) 2.299 5.041 ( -0.223 9.761 -1.494) 9.877 5.458 ( -0.324 -8.189 -1.693) 8.368 5.523 ( -0.571 3.136 -0.793) 3.285 5.623 ( -0.373 -0.998 -1.284) 1.668 7.016 ( -0.423 11.904 -0.234) 11.914 7.287 ( 0.843 -0.351 0.566) 1.075 7.734 ( -0.339 13.508 -0.491) 13.522 7.988 ( 0.551 -0.125 0.605) 0.828 8.107 ( 0.901 -2.711 -0.273) 2.870 8.232 ( -0.981 -11.693 -0.619) 11.750 9.843 ( -3.309 15.147 -0.073) 15.505 10.102 ( -1.011 0.365 0.753) 1.313 10.282 ( 1.641 5.860 2.703) 6.659 10.318 ( 1.128 11.282 -1.722) 11.468 10.877 ( -0.968 -16.029 -1.478) 16.126 10.987 ( 1.325 -12.996 2.921) 13.386 ======================= Grid point 150 (80/90) ======================= q-point: ( 0.43 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -6.970 4.779 -9.354) 12.607 1.335 ( -3.880 -1.514 -5.716) 7.072 1.357 ( 3.440 3.487 1.829) 5.229 1.703 ( 0.847 -4.492 -1.704) 4.879 1.944 ( -0.684 11.477 -3.696) 12.077 2.088 ( 1.185 8.754 0.282) 8.838 2.140 ( -3.224 14.482 -1.014) 14.871 2.200 ( -2.467 2.901 -5.118) 6.379 2.405 ( -3.144 -0.727 2.964) 4.382 2.448 ( -2.808 3.291 -2.752) 5.127 2.635 ( -0.228 -9.743 -0.364) 9.753 2.710 ( 1.424 1.082 2.761) 3.290 2.728 ( 6.480 -0.989 -0.906) 6.617 2.832 ( -1.030 -10.651 -2.100) 10.904 2.933 ( -0.797 1.514 0.282) 1.734 2.987 ( 0.430 -6.115 0.837) 6.187 3.047 ( 0.217 -4.499 -0.962) 4.605 3.148 ( -4.663 -1.774 2.293) 5.491 3.180 ( -2.155 1.861 2.867) 4.041 3.219 ( 1.298 3.324 1.709) 3.956 3.388 ( 0.893 1.378 3.423) 3.796 3.446 ( 3.139 -4.989 5.012) 7.737 3.484 ( -1.645 -1.054 5.466) 5.805 3.727 ( 2.070 8.931 -3.544) 9.829 3.843 ( 0.864 -1.301 -5.420) 5.640 3.849 ( -0.700 1.515 -5.026) 5.296 3.935 ( -0.367 -11.141 -0.837) 11.179 4.063 ( 0.407 -3.396 2.622) 4.309 4.116 ( 5.102 5.647 8.226) 11.207 4.277 ( 1.127 -0.316 1.305) 1.753 4.490 ( 0.215 -0.618 1.444) 1.585 4.556 ( 0.298 -2.711 -0.888) 2.868 5.022 ( -0.487 9.996 -1.697) 10.151 5.435 ( -0.645 -6.736 -1.799) 7.002 5.511 ( -0.156 1.424 -0.637) 1.568 5.603 ( -0.506 -1.258 -1.359) 1.920 7.006 ( -0.310 12.283 -0.196) 12.289 7.304 ( 0.355 -0.772 0.514) 0.993 7.726 ( -0.132 14.002 -0.478) 14.011 8.003 ( 0.402 0.203 0.669) 0.806 8.115 ( 0.211 -2.926 -0.373) 2.957 8.211 ( -0.578 -9.935 -0.591) 9.970 9.802 ( -0.763 16.056 0.004) 16.074 10.084 ( -1.170 3.804 0.845) 4.069 10.303 ( -1.175 8.571 3.088) 9.186 10.347 ( 2.688 5.572 -2.250) 6.583 10.852 ( -0.864 -15.119 -0.628) 15.157 11.030 ( 1.177 -14.689 1.972) 14.868 ======================= Grid point 151 (81/90) ======================= q-point: (-0.43 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.362 4.982 -0.230) 5.001 1.257 ( -2.117 -1.561 0.814) 2.754 1.394 ( 0.429 3.789 -1.667) 4.162 1.719 ( 1.880 -4.722 -2.607) 5.712 1.899 ( -1.403 12.349 0.024) 12.428 2.088 ( -2.830 14.622 0.782) 14.914 2.152 ( 3.353 9.213 -3.514) 10.415 2.174 ( 5.654 4.109 -1.821) 7.222 2.405 ( 1.477 2.478 1.420) 3.215 2.455 ( 4.894 -0.113 -1.297) 5.065 2.618 ( -0.439 -15.276 -0.419) 15.288 2.702 ( -4.680 4.785 1.334) 6.825 2.763 ( -1.770 -5.743 1.591) 6.217 2.802 ( -1.390 -4.112 -2.868) 5.202 2.921 ( -0.259 0.073 0.948) 0.985 3.021 ( 1.838 -5.576 1.384) 6.032 3.041 ( 0.485 -4.615 -2.954) 5.500 3.149 ( 3.367 -3.644 1.047) 5.070 3.167 ( -1.223 3.786 2.834) 4.884 3.253 ( 0.608 2.807 0.166) 2.877 3.355 ( -4.103 2.031 5.438) 7.109 3.523 ( 0.874 -3.546 2.123) 4.224 3.552 ( 2.446 -3.078 3.142) 5.033 3.711 ( -0.774 5.492 -2.797) 6.211 3.782 ( -0.714 -0.095 -4.295) 4.355 3.822 ( 0.131 4.212 -3.670) 5.588 3.927 ( -0.661 -14.138 0.301) 14.157 4.078 ( 0.177 -3.764 -0.001) 3.768 4.222 ( 1.051 5.911 2.597) 6.541 4.275 ( -1.468 1.495 -0.968) 2.308 4.495 ( -0.809 -0.403 1.714) 1.938 4.547 ( -0.516 -2.403 -0.585) 2.526 5.005 ( -0.348 10.106 -0.387) 10.119 5.417 ( -0.306 -6.599 -0.349) 6.615 5.508 ( 0.242 1.119 -0.386) 1.208 5.591 ( -0.083 -1.169 -0.328) 1.217 7.003 ( -0.023 12.363 0.121) 12.364 7.306 ( -0.402 -0.900 0.296) 1.029 7.724 ( 0.313 13.821 -0.365) 13.829 8.007 ( -0.379 0.248 0.325) 0.557 8.111 ( -0.347 -2.975 -0.091) 2.997 8.206 ( 0.289 -9.465 -0.115) 9.470 9.815 ( 2.365 15.644 -1.135) 15.862 10.080 ( 0.129 4.375 1.218) 4.543 10.289 ( -2.510 6.967 2.734) 7.894 10.369 ( 1.340 6.861 -2.527) 7.434 10.836 ( -0.918 -14.673 0.837) 14.726 11.053 ( 0.554 -15.254 -0.113) 15.264 ======================= Grid point 152 (82/90) ======================= q-point: (-0.29 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 6.355 6.202 9.783) 13.212 1.236 ( -2.523 7.405 3.878) 8.732 1.431 ( 6.303 1.685 -1.206) 6.635 1.743 ( 2.550 -5.640 -1.557) 6.383 1.890 ( -1.092 9.861 1.605) 10.051 2.042 ( -2.375 13.933 2.451) 14.345 2.193 ( 3.627 7.831 -0.720) 8.660 2.323 ( 7.299 2.757 0.534) 7.820 2.456 ( 0.747 2.636 1.896) 3.332 2.542 ( 1.379 -1.076 -2.440) 3.002 2.591 ( -1.559 -5.533 -1.295) 5.893 2.668 ( 5.269 -1.477 0.602) 5.505 2.728 ( -2.877 -6.442 2.198) 7.390 2.742 ( -1.046 -2.052 -1.524) 2.762 2.929 ( -0.650 2.978 0.550) 3.097 3.010 ( -0.867 -6.723 -1.428) 6.928 3.055 ( 0.976 -5.791 -2.656) 6.446 3.153 ( -1.855 8.438 1.847) 8.835 3.235 ( 3.054 -0.707 0.979) 3.284 3.276 ( 3.893 0.232 1.033) 4.035 3.359 ( -0.094 -3.124 2.472) 3.984 3.488 ( -0.931 -2.698 -7.032) 7.590 3.553 ( -1.597 -1.769 -3.171) 3.966 3.685 ( -1.710 5.990 0.645) 6.263 3.785 ( 0.144 0.869 0.592) 1.061 3.815 ( 0.299 1.823 1.874) 2.631 3.922 ( 0.279 -14.707 1.340) 14.771 4.034 ( -5.232 -3.848 0.286) 6.501 4.150 ( -4.966 4.335 -9.820) 11.828 4.262 ( -0.338 1.574 0.711) 1.760 4.485 ( -0.601 -0.528 -0.059) 0.802 4.535 ( -0.832 -1.829 0.660) 2.114 5.008 ( 0.248 10.005 1.340) 10.097 5.420 ( 0.198 -7.366 1.480) 7.516 5.514 ( 0.592 2.092 -0.067) 2.175 5.596 ( 0.278 -0.781 0.987) 1.289 7.007 ( 0.241 12.090 0.476) 12.102 7.294 ( -0.932 -0.662 0.020) 1.144 7.731 ( 0.561 13.118 -0.231) 13.132 7.996 ( -0.775 -0.060 -0.053) 0.779 8.101 ( -0.811 -2.757 0.207) 2.881 8.219 ( 0.928 -10.675 0.438) 10.724 9.866 ( 3.908 14.436 -2.074) 15.099 10.099 ( 0.679 1.192 1.088) 1.751 10.248 ( -3.590 5.731 2.710) 7.285 10.369 ( 0.989 10.845 -3.276) 11.372 10.832 ( -0.608 -14.962 2.343) 15.157 11.049 ( -0.119 -14.401 -2.302) 14.584 ======================= Grid point 153 (83/90) ======================= q-point: (-0.14 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -0.556 12.014 3.568) 12.545 1.320 ( 6.995 7.359 12.490) 16.096 1.588 ( 6.703 5.858 3.993) 9.756 1.779 ( 0.142 -2.842 2.791) 3.985 1.885 ( 1.976 3.588 -0.950) 4.205 2.039 ( 0.977 11.920 -0.623) 11.976 2.235 ( -3.183 0.518 1.313) 3.482 2.364 ( -0.697 4.198 2.447) 4.909 2.465 ( -1.252 -2.723 -0.540) 3.045 2.507 ( 2.122 1.246 -2.366) 3.414 2.620 ( 2.571 -3.265 -0.528) 4.190 2.712 ( 1.180 -1.547 -1.674) 2.567 2.762 ( 3.566 2.367 5.120) 6.673 2.851 ( 8.287 -2.061 -0.314) 8.546 2.876 ( -3.780 -3.646 0.616) 5.288 2.989 ( -3.300 0.174 -2.689) 4.260 3.024 ( 1.120 0.006 -1.590) 1.945 3.135 ( -0.799 4.864 -1.346) 5.109 3.293 ( -0.245 -1.625 1.228) 2.052 3.351 ( 3.504 1.570 -2.688) 4.687 3.367 ( 2.190 -2.376 2.698) 4.210 3.471 ( 4.131 -2.098 -7.021) 8.412 3.488 ( -4.133 -2.347 0.996) 4.856 3.649 ( -1.494 6.383 -0.100) 6.556 3.737 ( -4.320 -4.802 -3.525) 7.359 3.841 ( 0.047 0.808 1.436) 1.648 3.901 ( -4.942 -0.751 -1.415) 5.195 3.966 ( -5.640 0.869 -8.019) 9.842 3.975 ( 0.731 -8.363 3.290) 9.016 4.226 ( -2.638 -5.257 -3.028) 6.616 4.488 ( 0.819 0.358 0.142) 0.905 4.526 ( -0.679 -0.719 1.158) 1.523 5.027 ( 0.536 9.831 1.510) 9.960 5.440 ( 0.419 -8.255 1.930) 8.488 5.529 ( 0.737 3.317 0.333) 3.414 5.611 ( 0.315 -0.410 1.434) 1.524 7.017 ( 0.282 11.665 0.615) 11.684 7.275 ( -0.883 -0.211 -0.169) 0.923 7.740 ( 0.463 12.459 -0.161) 12.469 7.983 ( -0.463 -0.367 -0.085) 0.596 8.085 ( -0.874 -2.617 0.199) 2.766 8.241 ( 0.853 -12.617 0.637) 12.661 9.923 ( 3.134 12.314 -1.762) 12.828 10.110 ( -0.106 -2.923 0.367) 2.948 10.202 ( -2.902 6.314 2.694) 7.453 10.364 ( 1.001 13.881 -3.830) 14.435 10.846 ( -0.106 -14.750 3.628) 15.190 11.020 ( -0.537 -13.122 -3.794) 13.670 ======================= Grid point 154 (84/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 1.038 -9.734 4.865) 10.931 1.521 ( 1.038 9.734 4.865) 10.931 1.732 ( -2.112 -4.286 3.625) 5.998 1.732 ( -2.112 4.286 3.625) 5.998 2.070 ( 4.989 -5.482 2.843) 7.939 2.070 ( 4.989 5.482 2.843) 7.939 2.220 ( -2.893 -6.448 -4.610) 8.438 2.220 ( -2.893 6.448 -4.610) 8.438 2.541 ( 1.664 -4.721 -0.124) 5.007 2.541 ( 1.664 4.721 -0.124) 5.007 2.610 ( -0.752 -5.329 -1.298) 5.536 2.610 ( -0.752 5.329 -1.298) 5.536 2.817 ( 0.637 -3.105 -3.004) 4.367 2.817 ( 0.637 3.105 -3.004) 4.367 2.951 ( 0.494 -0.610 2.674) 2.787 2.951 ( 0.494 0.610 2.674) 2.787 3.190 ( -0.692 -6.514 0.010) 6.551 3.190 ( -0.692 6.514 0.010) 6.551 3.374 ( -4.322 -4.404 1.596) 6.373 3.374 ( -4.322 4.404 1.596) 6.373 3.398 ( -0.457 -4.617 0.920) 4.730 3.398 ( -0.457 4.617 0.920) 4.730 3.474 ( 4.594 -0.820 -1.054) 4.784 3.474 ( 4.594 0.820 -1.054) 4.784 3.759 ( 0.860 -5.617 -0.098) 5.683 3.759 ( 0.860 5.617 -0.098) 5.683 3.842 ( -2.145 -5.247 -2.953) 6.392 3.842 ( -2.145 5.247 -2.953) 6.392 3.995 ( -0.794 -4.257 -2.824) 5.170 3.995 ( -0.794 4.257 -2.824) 5.170 4.519 ( 0.013 -0.718 0.766) 1.050 4.519 ( 0.013 0.718 0.766) 1.050 5.256 ( 0.407 -10.285 0.577) 10.310 5.256 ( 0.407 10.285 0.577) 10.310 5.602 ( 0.292 -1.951 0.554) 2.049 5.602 ( 0.292 1.951 0.554) 2.049 7.212 ( -0.019 -5.854 0.178) 5.856 7.212 ( -0.019 5.854 0.178) 5.856 7.964 ( 0.155 -8.301 0.079) 8.303 7.964 ( 0.155 8.301 0.079) 8.303 8.030 ( -0.157 -6.664 0.009) 6.665 8.030 ( -0.157 6.664 0.009) 6.665 10.035 ( -0.059 -2.382 -0.217) 2.393 10.035 ( -0.059 2.382 -0.217) 2.393 10.475 ( 0.169 -12.883 1.082) 12.929 10.475 ( 0.169 12.883 1.082) 12.929 10.720 ( -0.537 -10.022 -1.147) 10.102 10.720 ( -0.537 10.022 -1.147) 10.102 ======================= Grid point 156 (85/90) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -3.554 -12.568 2.429) 13.285 1.507 ( -3.554 12.568 2.429) 13.285 1.662 ( -6.478 -1.347 -2.267) 6.994 1.662 ( -6.478 1.347 -2.267) 6.994 2.138 ( 1.903 -8.732 -4.473) 9.994 2.138 ( 1.903 8.732 -4.473) 9.994 2.247 ( 5.766 -7.015 4.337) 10.063 2.247 ( 5.766 7.015 4.337) 10.063 2.523 ( -2.018 -1.908 -1.538) 3.174 2.523 ( -2.018 1.908 -1.538) 3.174 2.594 ( -1.587 -3.694 -0.946) 4.130 2.594 ( -1.587 3.694 -0.946) 4.130 2.812 ( -0.214 -0.850 -1.006) 1.334 2.812 ( -0.214 0.850 -1.006) 1.334 2.900 ( -3.731 -2.986 -0.661) 4.825 2.900 ( -3.731 2.986 -0.661) 4.825 3.187 ( -0.169 -9.703 1.516) 9.822 3.187 ( -0.169 9.703 1.516) 9.822 3.300 ( -5.182 -2.476 2.411) 6.229 3.300 ( -5.182 2.476 2.411) 6.229 3.370 ( -3.676 -0.407 0.990) 3.829 3.370 ( -3.676 0.407 0.990) 3.829 3.541 ( 4.652 -6.553 -3.957) 8.958 3.541 ( 4.652 6.553 -3.957) 8.958 3.814 ( 4.119 -6.461 -1.259) 7.765 3.814 ( 4.119 6.461 -1.259) 7.765 3.856 ( 3.842 -7.122 4.570) 9.293 3.856 ( 3.842 7.122 4.570) 9.293 3.993 ( 1.216 -1.121 -0.346) 1.690 3.993 ( 1.216 1.121 -0.346) 1.690 4.516 ( -0.498 -1.209 0.068) 1.310 4.516 ( -0.498 1.209 0.068) 1.310 5.261 ( 0.170 -10.364 -0.564) 10.380 5.261 ( 0.170 10.364 -0.564) 10.380 5.603 ( -0.294 -2.184 -0.389) 2.238 5.603 ( -0.294 2.184 -0.389) 2.238 7.215 ( 0.168 -6.045 0.099) 6.048 7.215 ( 0.168 6.045 0.099) 6.048 7.968 ( 0.276 -8.149 -0.239) 8.158 7.968 ( 0.276 8.149 -0.239) 8.158 8.035 ( 0.452 -5.934 0.264) 5.957 8.035 ( 0.452 5.934 0.264) 5.957 10.038 ( 0.345 -3.029 0.027) 3.048 10.038 ( 0.345 3.029 0.027) 3.048 10.477 ( -0.234 -11.290 0.050) 11.293 10.477 ( -0.234 11.290 0.050) 11.293 10.706 ( -0.600 -8.761 0.659) 8.807 10.706 ( -0.600 8.761 0.659) 8.807 ======================= Grid point 158 (86/90) ======================= q-point: ( 0.29 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -8.506 -3.722 -6.664) 11.429 1.434 ( -8.506 3.722 -6.664) 11.429 1.506 ( -0.929 -12.841 -0.357) 12.880 1.506 ( -0.929 12.841 -0.357) 12.880 2.164 ( 2.358 -10.348 -2.289) 10.857 2.164 ( 2.358 10.348 -2.289) 10.857 2.316 ( -2.282 -10.133 0.032) 10.387 2.316 ( -2.282 10.133 0.032) 10.387 2.494 ( -2.966 -10.162 4.314) 11.431 2.494 ( -2.966 10.162 4.314) 11.431 2.555 ( 2.349 -3.294 -3.114) 5.105 2.555 ( 2.349 3.294 -3.114) 5.105 2.718 ( -3.931 -3.056 -3.847) 6.292 2.718 ( -3.931 3.056 -3.847) 6.292 2.930 ( 3.298 -3.286 0.167) 4.659 2.930 ( 3.298 3.286 0.167) 4.659 3.164 ( -5.834 -9.718 0.537) 11.347 3.164 ( -5.834 9.718 0.537) 11.347 3.249 ( -0.512 -3.796 5.816) 6.964 3.249 ( -0.512 3.796 5.816) 6.964 3.304 ( -2.457 -1.584 2.135) 3.620 3.304 ( -2.457 1.584 2.135) 3.620 3.603 ( 3.956 -10.345 -3.502) 11.616 3.603 ( 3.956 10.345 -3.502) 11.616 3.882 ( 3.120 -7.065 0.533) 7.742 3.882 ( 3.120 7.065 0.533) 7.742 3.914 ( 0.236 -1.170 -4.021) 4.194 3.914 ( 0.236 1.170 -4.021) 4.194 4.085 ( 5.294 -7.391 8.821) 12.667 4.085 ( 5.294 7.391 8.821) 12.667 4.508 ( -0.075 -1.960 -0.549) 2.037 4.508 ( -0.075 1.960 -0.549) 2.037 5.254 ( -0.126 -10.392 -1.504) 10.501 5.254 ( -0.126 10.392 -1.504) 10.501 5.587 ( -0.725 -2.442 -1.145) 2.793 5.587 ( -0.725 2.442 -1.145) 2.793 7.219 ( 0.175 -6.795 0.038) 6.798 7.219 ( 0.175 6.795 0.038) 6.798 7.972 ( 0.390 -8.584 -0.409) 8.602 7.972 ( 0.390 8.584 -0.409) 8.602 8.047 ( 0.460 -4.870 0.351) 4.904 8.047 ( 0.460 4.870 0.351) 4.904 10.040 ( -0.297 -4.810 0.216) 4.824 10.040 ( -0.297 4.810 0.216) 4.824 10.474 ( 0.063 -9.724 -0.162) 9.725 10.474 ( 0.063 9.724 -0.162) 9.725 10.708 ( -0.091 -10.572 1.500) 10.679 10.708 ( -0.091 10.572 1.500) 10.679 ======================= Grid point 160 (87/90) ======================= q-point: ( 0.43 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -6.802 -5.905 -7.142) 11.496 1.213 ( -6.802 5.905 -7.142) 11.496 1.547 ( 2.731 -9.548 0.080) 9.932 1.547 ( 2.731 9.548 0.080) 9.932 2.170 ( 0.183 -3.156 -2.146) 3.821 2.170 ( 0.183 3.156 -2.146) 3.821 2.242 ( -2.557 -12.365 -0.519) 12.638 2.242 ( -2.557 12.365 -0.519) 12.638 2.470 ( -0.603 -8.010 -0.228) 8.036 2.470 ( -0.603 8.010 -0.228) 8.036 2.529 ( -2.698 -5.546 -3.377) 7.031 2.529 ( -2.698 5.546 -3.377) 7.031 2.745 ( 4.813 -1.563 1.655) 5.324 2.745 ( 4.813 1.563 1.655) 5.324 2.951 ( -0.532 -2.369 -0.346) 2.452 2.951 ( -0.532 2.369 -0.346) 2.452 3.062 ( -3.730 -6.222 0.039) 7.254 3.062 ( -3.730 6.222 0.039) 7.254 3.242 ( -1.771 -1.886 2.708) 3.745 3.242 ( -1.771 1.886 2.708) 3.745 3.384 ( 3.961 -0.362 8.647) 9.518 3.384 ( 3.961 0.362 8.647) 9.518 3.617 ( -0.698 -12.794 -2.326) 13.023 3.617 ( -0.698 12.794 -2.326) 13.023 3.852 ( -1.815 -1.310 -6.080) 6.479 3.852 ( -1.815 1.310 -6.080) 6.479 3.940 ( 2.583 -7.092 -0.524) 7.566 3.940 ( 2.583 7.092 -0.524) 7.566 4.234 ( 3.374 -4.204 7.044) 8.870 4.234 ( 3.374 4.204 7.044) 8.870 4.506 ( 0.141 -1.913 -0.168) 1.926 4.506 ( 0.141 1.913 -0.168) 1.926 5.238 ( -0.376 -10.373 -1.659) 10.511 5.238 ( -0.376 10.373 -1.659) 10.511 5.565 ( -0.543 -2.401 -1.151) 2.718 5.565 ( -0.543 2.401 -1.151) 2.718 7.221 ( 0.005 -7.495 0.053) 7.495 7.221 ( 0.005 7.495 0.053) 7.495 7.975 ( 0.182 -9.598 -0.394) 9.608 7.975 ( 0.182 9.598 -0.394) 9.608 8.055 ( 0.152 -4.785 0.312) 4.797 8.055 ( 0.152 4.785 0.312) 4.797 10.034 ( -0.261 -6.152 0.177) 6.160 10.034 ( -0.261 6.152 0.177) 6.160 10.477 ( 0.019 -8.024 0.303) 8.030 10.477 ( 0.019 8.024 0.303) 8.030 10.719 ( 0.226 -12.106 1.060) 12.155 10.719 ( 0.226 12.106 1.060) 12.155 ======================= Grid point 162 (88/90) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.954 -7.305 0.088) 7.367 1.128 ( 0.954 7.304 0.088) 7.367 1.568 ( 0.307 -9.031 -1.775) 9.208 1.568 ( 0.307 9.031 -1.775) 9.208 2.170 ( 0.060 -7.807 -1.906) 8.036 2.170 ( 0.060 7.807 -1.906) 8.036 2.242 ( 3.845 -8.243 -0.697) 9.122 2.242 ( 3.845 8.243 -0.697) 9.122 2.454 ( -2.438 -10.107 -0.160) 10.398 2.454 ( -2.438 10.107 -0.160) 10.398 2.489 ( 1.421 -7.206 1.489) 7.494 2.489 ( 1.421 7.206 1.489) 7.494 2.785 ( -1.569 -2.675 -1.854) 3.613 2.785 ( -1.569 2.675 -1.854) 3.613 2.948 ( 0.628 -1.271 0.170) 1.428 2.948 ( 0.628 1.271 0.170) 1.428 3.051 ( 2.595 -5.582 0.630) 6.188 3.051 ( 2.595 5.582 0.630) 6.188 3.249 ( 0.776 -2.701 1.995) 3.446 3.249 ( 0.776 2.701 1.995) 3.446 3.485 ( -1.281 -2.036 2.105) 3.197 3.485 ( -1.281 2.036 2.105) 3.197 3.566 ( -1.179 -13.037 2.427) 13.313 3.566 ( -1.179 13.037 2.427) 13.313 3.792 ( -0.663 -1.520 -3.003) 3.431 3.792 ( -0.663 1.520 -3.003) 3.431 3.960 ( 0.159 -7.162 -2.179) 7.488 3.960 ( 0.159 7.162 -2.179) 7.488 4.294 ( -0.207 -0.871 1.501) 1.748 4.294 ( -0.207 0.871 1.501) 1.748 4.505 ( -0.382 -1.419 0.134) 1.476 4.505 ( -0.382 1.419 0.134) 1.476 5.222 ( -0.316 -10.381 -0.458) 10.396 5.222 ( -0.316 10.381 -0.458) 10.396 5.556 ( 0.187 -2.179 -0.365) 2.217 5.556 ( 0.187 2.179 -0.365) 2.217 7.220 ( -0.194 -7.658 0.155) 7.662 7.220 ( -0.194 7.658 0.155) 7.662 7.973 ( -0.216 -9.659 -0.193) 9.663 7.973 ( -0.216 9.659 -0.193) 9.663 8.057 ( -0.175 -4.675 0.188) 4.682 8.057 ( -0.175 4.675 0.188) 4.682 10.038 ( 0.575 -5.790 -0.117) 5.820 10.038 ( 0.575 5.790 -0.117) 5.820 10.473 ( -0.724 -9.197 0.582) 9.244 10.473 ( -0.724 9.197 0.582) 9.244 10.729 ( 0.340 -13.392 0.216) 13.398 10.729 ( 0.340 13.392 0.216) 13.398 ======================= Grid point 164 (89/90) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 5.907 -5.477 8.134) 11.448 1.234 ( 5.907 5.477 8.134) 11.448 1.573 ( 3.338 -9.802 -3.679) 10.989 1.573 ( 3.338 9.802 -3.679) 10.989 2.133 ( -3.263 -11.970 0.702) 12.427 2.133 ( -3.263 11.970 0.702) 12.427 2.313 ( 1.132 -9.673 0.380) 9.746 2.313 ( 1.132 9.673 0.380) 9.746 2.438 ( 1.141 -8.131 3.489) 8.921 2.438 ( 1.141 8.131 3.489) 8.921 2.583 ( 5.868 -1.218 1.477) 6.173 2.583 ( 5.868 1.218 1.477) 6.173 2.706 ( -1.478 -2.699 -5.115) 5.969 2.706 ( -1.478 2.699 -5.115) 5.969 2.956 ( -0.157 -2.268 -2.104) 3.098 2.956 ( -0.157 2.268 -2.104) 3.098 3.135 ( 4.270 -8.734 2.638) 10.073 3.135 ( 4.270 8.734 2.638) 10.073 3.290 ( 2.187 -2.910 0.786) 3.725 3.290 ( 2.187 2.910 0.786) 3.725 3.394 ( -3.450 -7.633 -3.198) 8.966 3.394 ( -3.450 7.633 -3.198) 8.966 3.581 ( -1.595 -7.822 -0.145) 7.984 3.581 ( -1.595 7.822 -0.145) 7.984 3.798 ( 0.634 -0.973 4.208) 4.366 3.798 ( 0.634 0.973 4.208) 4.366 3.913 ( -3.258 -6.727 -1.978) 7.731 3.913 ( -3.258 6.727 -1.978) 7.731 4.246 ( -3.725 -3.290 -4.793) 6.904 4.246 ( -3.725 3.290 -4.793) 6.904 4.498 ( -0.157 -1.524 0.146) 1.539 4.498 ( -0.157 1.524 0.146) 1.539 5.223 ( 0.166 -10.325 1.135) 10.388 5.223 ( 0.166 10.325 1.135) 10.388 5.566 ( 0.717 -2.071 0.601) 2.272 5.566 ( 0.717 2.071 0.601) 2.272 7.217 ( -0.286 -7.188 0.244) 7.198 7.217 ( -0.286 7.188 0.244) 7.198 7.966 ( -0.362 -8.711 0.080) 8.719 7.966 ( -0.362 8.711 0.080) 8.719 8.051 ( -0.497 -4.635 0.009) 4.662 8.051 ( -0.497 4.635 0.009) 4.662 10.047 ( 0.371 -4.251 -0.366) 4.283 10.047 ( 0.371 4.251 -0.366) 4.283 10.462 ( -0.809 -12.175 0.872) 12.233 10.462 ( -0.809 12.175 0.872) 12.233 10.736 ( 0.539 -13.892 -0.857) 13.929 10.736 ( 0.539 13.892 -0.857) 13.929 ======================= Grid point 166 (90/90) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 4.750 -1.705 9.514) 10.769 1.408 ( 4.750 1.705 9.514) 10.769 1.663 ( 7.122 -5.410 -1.260) 9.032 1.663 ( 7.122 5.410 -1.260) 9.032 2.059 ( -4.929 -11.425 2.821) 12.759 2.059 ( -4.929 11.425 2.821) 12.759 2.296 ( -2.595 -11.158 0.175) 11.457 2.296 ( -2.595 11.158 0.175) 11.457 2.507 ( 2.208 -6.380 1.209) 6.859 2.507 ( 2.208 6.380 1.209) 6.859 2.604 ( 1.311 -6.559 -3.127) 7.384 2.604 ( 1.311 6.559 -3.127) 7.384 2.797 ( 6.569 -2.900 2.372) 7.563 2.797 ( 6.569 2.900 2.372) 7.563 2.902 ( -1.212 -4.814 -3.933) 6.333 2.902 ( -1.212 4.814 -3.933) 6.333 3.206 ( 0.362 -5.963 0.919) 6.044 3.206 ( 0.362 5.963 0.919) 6.044 3.344 ( 3.831 -9.252 0.525) 10.028 3.344 ( 3.831 9.252 0.525) 10.028 3.374 ( 2.105 -3.340 -0.163) 3.951 3.374 ( 2.105 3.340 -0.163) 3.951 3.504 ( -4.442 -7.547 -2.747) 9.178 3.504 ( -4.442 7.547 -2.747) 9.178 3.798 ( -4.009 -6.618 1.054) 7.810 3.798 ( -4.009 6.618 1.054) 7.810 3.868 ( -0.193 -0.819 1.972) 2.144 3.868 ( -0.193 0.819 1.972) 2.144 4.102 ( -5.364 -6.903 -8.380) 12.110 4.102 ( -5.364 6.903 -8.380) 12.110 4.506 ( 0.529 -1.097 0.770) 1.441 4.506 ( 0.529 1.097 0.770) 1.441 5.240 ( 0.467 -10.257 1.412) 10.364 5.240 ( 0.467 10.257 1.412) 10.364 5.587 ( 0.696 -1.980 1.003) 2.327 5.587 ( 0.696 1.980 1.003) 2.327 7.213 ( -0.220 -6.390 0.241) 6.398 7.213 ( -0.220 6.390 0.241) 6.398 7.962 ( -0.110 -8.083 0.223) 8.087 7.962 ( -0.110 8.083 0.223) 8.087 8.039 ( -0.613 -5.543 -0.107) 5.578 8.039 ( -0.613 5.543 -0.107) 5.578 10.043 ( -0.431 -2.778 -0.379) 2.836 10.043 ( -0.431 2.778 -0.379) 2.836 10.462 ( 0.025 -13.748 1.313) 13.811 10.462 ( 0.025 13.748 1.313) 13.811 10.735 ( 0.222 -12.613 -1.698) 12.729 10.735 ( 0.222 12.613 -1.698) 12.729 =================== 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 3/13440 10.0 130.710 114.111 127.408 0.000 8.953 0.000 3/13440 20.0 25.391 27.540 25.703 0.000 3.375 0.000 3/13440 30.0 9.757 12.080 10.227 0.000 1.276 0.000 3/13440 40.0 5.531 7.476 5.883 0.000 0.690 0.000 3/13440 50.0 3.824 5.497 4.101 0.000 0.464 0.000 3/13440 60.0 2.936 4.435 3.167 0.000 0.352 0.000 3/13440 70.0 2.396 3.782 2.594 0.000 0.287 0.000 3/13440 80.0 2.032 3.342 2.206 0.000 0.243 0.000 3/13440 90.0 1.769 3.023 1.924 0.000 0.212 0.000 3/13440 100.0 1.570 2.779 1.709 0.000 0.188 0.000 3/13440 110.0 1.413 2.584 1.539 0.000 0.169 0.000 3/13440 120.0 1.287 2.423 1.402 0.000 0.154 0.000 3/13440 130.0 1.182 2.285 1.288 0.000 0.141 0.000 3/13440 140.0 1.093 2.164 1.191 0.000 0.130 0.000 3/13440 150.0 1.018 2.058 1.109 0.000 0.121 0.000 3/13440 160.0 0.952 1.961 1.038 0.000 0.113 0.000 3/13440 170.0 0.895 1.874 0.975 0.000 0.106 0.000 3/13440 180.0 0.844 1.794 0.920 0.000 0.100 0.000 3/13440 190.0 0.799 1.721 0.870 0.000 0.095 0.000 3/13440 200.0 0.759 1.653 0.826 0.000 0.090 0.000 3/13440 210.0 0.722 1.590 0.786 0.000 0.085 0.000 3/13440 220.0 0.689 1.531 0.750 0.000 0.081 0.000 3/13440 230.0 0.659 1.477 0.717 0.000 0.078 0.000 3/13440 240.0 0.631 1.426 0.687 0.000 0.074 0.000 3/13440 250.0 0.606 1.378 0.660 0.000 0.071 0.000 3/13440 260.0 0.583 1.333 0.634 0.000 0.068 0.000 3/13440 270.0 0.561 1.291 0.611 0.000 0.066 0.000 3/13440 280.0 0.541 1.251 0.589 0.000 0.063 0.000 3/13440 290.0 0.522 1.213 0.568 0.000 0.061 0.000 3/13440 300.0 0.505 1.178 0.549 0.000 0.059 0.000 3/13440 310.0 0.488 1.144 0.532 0.000 0.057 0.000 3/13440 320.0 0.473 1.112 0.515 0.000 0.055 0.000 3/13440 330.0 0.459 1.082 0.499 0.000 0.054 0.000 3/13440 340.0 0.445 1.053 0.485 0.000 0.052 0.000 3/13440 350.0 0.433 1.026 0.471 0.000 0.051 0.000 3/13440 360.0 0.421 1.000 0.458 0.000 0.049 0.000 3/13440 370.0 0.409 0.976 0.445 0.000 0.048 0.000 3/13440 380.0 0.399 0.952 0.434 0.000 0.046 0.000 3/13440 390.0 0.388 0.930 0.423 0.000 0.045 0.000 3/13440 400.0 0.379 0.908 0.412 0.000 0.044 0.000 3/13440 410.0 0.369 0.887 0.402 0.000 0.043 0.000 3/13440 420.0 0.361 0.868 0.392 0.000 0.042 0.000 3/13440 430.0 0.352 0.849 0.383 0.000 0.041 0.000 3/13440 440.0 0.344 0.831 0.375 0.000 0.040 0.000 3/13440 450.0 0.337 0.814 0.366 0.000 0.039 0.000 3/13440 460.0 0.329 0.797 0.358 0.000 0.038 0.000 3/13440 470.0 0.322 0.781 0.351 0.000 0.038 0.000 3/13440 480.0 0.316 0.766 0.343 0.000 0.037 0.000 3/13440 490.0 0.309 0.751 0.336 0.000 0.036 0.000 3/13440 500.0 0.303 0.736 0.330 0.000 0.035 0.000 3/13440 510.0 0.297 0.723 0.323 0.000 0.035 0.000 3/13440 520.0 0.291 0.709 0.317 0.000 0.034 0.000 3/13440 530.0 0.286 0.697 0.311 0.000 0.033 0.000 3/13440 540.0 0.281 0.684 0.305 0.000 0.033 0.000 3/13440 550.0 0.275 0.672 0.300 0.000 0.032 0.000 3/13440 560.0 0.271 0.661 0.294 0.000 0.031 0.000 3/13440 570.0 0.266 0.650 0.289 0.000 0.031 0.000 3/13440 580.0 0.261 0.639 0.284 0.000 0.030 0.000 3/13440 590.0 0.257 0.629 0.279 0.000 0.030 0.000 3/13440 600.0 0.253 0.618 0.275 0.000 0.029 0.000 3/13440 610.0 0.248 0.609 0.270 0.000 0.029 0.000 3/13440 620.0 0.244 0.599 0.266 0.000 0.028 0.000 3/13440 630.0 0.241 0.590 0.262 0.000 0.028 0.000 3/13440 640.0 0.237 0.581 0.258 0.000 0.028 0.000 3/13440 650.0 0.233 0.572 0.254 0.000 0.027 0.000 3/13440 660.0 0.230 0.564 0.250 0.000 0.027 0.000 3/13440 670.0 0.226 0.556 0.246 0.000 0.026 0.000 3/13440 680.0 0.223 0.548 0.242 0.000 0.026 0.000 3/13440 690.0 0.220 0.540 0.239 0.000 0.026 0.000 3/13440 700.0 0.216 0.533 0.236 0.000 0.025 0.000 3/13440 710.0 0.213 0.525 0.232 0.000 0.025 0.000 3/13440 720.0 0.210 0.518 0.229 0.000 0.024 0.000 3/13440 730.0 0.208 0.511 0.226 0.000 0.024 0.000 3/13440 740.0 0.205 0.505 0.223 0.000 0.024 0.000 3/13440 750.0 0.202 0.498 0.220 0.000 0.023 0.000 3/13440 760.0 0.199 0.492 0.217 0.000 0.023 0.000 3/13440 770.0 0.197 0.485 0.214 0.000 0.023 0.000 3/13440 780.0 0.194 0.479 0.211 0.000 0.023 0.000 3/13440 790.0 0.192 0.473 0.209 0.000 0.022 0.000 3/13440 800.0 0.189 0.468 0.206 0.000 0.022 0.000 3/13440 810.0 0.187 0.462 0.204 0.000 0.022 0.000 3/13440 820.0 0.185 0.456 0.201 0.000 0.021 0.000 3/13440 830.0 0.183 0.451 0.199 0.000 0.021 0.000 3/13440 840.0 0.180 0.446 0.196 0.000 0.021 0.000 3/13440 850.0 0.178 0.441 0.194 0.000 0.021 0.000 3/13440 860.0 0.176 0.436 0.192 0.000 0.020 0.000 3/13440 870.0 0.174 0.431 0.190 0.000 0.020 0.000 3/13440 880.0 0.172 0.426 0.187 0.000 0.020 0.000 3/13440 890.0 0.170 0.421 0.185 0.000 0.020 0.000 3/13440 900.0 0.168 0.417 0.183 0.000 0.020 0.000 3/13440 910.0 0.167 0.412 0.181 0.000 0.019 0.000 3/13440 920.0 0.165 0.408 0.179 0.000 0.019 0.000 3/13440 930.0 0.163 0.403 0.177 0.000 0.019 0.000 3/13440 940.0 0.161 0.399 0.175 0.000 0.019 0.000 3/13440 950.0 0.160 0.395 0.174 0.000 0.019 0.000 3/13440 960.0 0.158 0.391 0.172 0.000 0.018 0.000 3/13440 970.0 0.156 0.387 0.170 0.000 0.018 0.000 3/13440 980.0 0.155 0.383 0.168 0.000 0.018 0.000 3/13440 990.0 0.153 0.379 0.167 0.000 0.018 0.000 3/13440 1000.0 0.152 0.375 0.165 0.000 0.018 0.000 3/13440 Thermal conductivity related properties were written into "kappa-m785.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:07:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|