----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:15:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3c (161) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.642950658913639 1.525908274378686 4.675108266666662 b -2.642950658913633 1.525908274378686 4.675108266666662 c 0.000000000000002 -3.051816548757376 4.675108266666662 Atomic positions (fractional): *1 O 0.10548259213830 0.78924710623707 0.39389892336893 15.999 2 O 0.39389892336893 0.10548259213830 0.78924710623707 15.999 3 O 0.78924710623707 0.39389892336893 0.10548259213830 15.999 4 O 0.89389892336893 0.28924710623707 0.60548259213830 15.999 5 O 0.28924710623707 0.60548259213830 0.89389892336893 15.999 6 O 0.60548259213830 0.89389892336893 0.28924710623707 15.999 *7 Zn 0.71504088545273 0.71504088545273 0.71504088545273 65.380 8 Zn 0.21504088545273 0.21504088545273 0.21504088545273 65.380 *9 Sn 0.99773051280299 0.99773051280299 0.99773051280299 118.710 10 Sn 0.49773051280299 0.49773051280299 0.49773051280299 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.285901317827273 0.000000000000000 0.000000000000000 b -2.642950658913636 4.577724823136061 0.000000000000000 c 0.000000000000000 0.000000000000000 14.025324800000000 Atomic positions (fractional): *1 O 0.00927305155686 0.70231061721250 0.09620954058143 15.999 > 1 2 O 0.29768938278750 0.30696243434436 0.09620954058143 15.999 > 2 3 O 0.69303756565564 0.99072694844314 0.09620954058143 15.999 > 3 4 O 0.63102271612083 0.65739361510980 0.26287620724810 15.999 > 4 5 O 0.02637089898897 0.36897728387917 0.26287620724810 15.999 > 5 6 O 0.34260638489020 0.97362910101103 0.26287620724810 15.999 > 6 7 O 0.67593971822353 0.03564395054584 0.42954287391477 15.999 > 1 8 O 0.96435604945416 0.64029576767770 0.42954287391477 15.999 > 2 9 O 0.35970423232230 0.32406028177647 0.42954287391477 15.999 > 3 10 O 0.29768938278750 0.99072694844314 0.59620954058143 15.999 > 4 11 O 0.69303756565564 0.70231061721250 0.59620954058143 15.999 > 5 12 O 0.00927305155686 0.30696243434436 0.59620954058143 15.999 > 6 13 O 0.34260638489020 0.36897728387917 0.76287620724810 15.999 > 1 14 O 0.63102271612083 0.97362910101103 0.76287620724810 15.999 > 2 15 O 0.02637089898897 0.65739361510980 0.76287620724810 15.999 > 3 16 O 0.96435604945416 0.32406028177647 0.92954287391477 15.999 > 4 17 O 0.35970423232230 0.03564395054584 0.92954287391477 15.999 > 5 18 O 0.67593971822353 0.64029576767770 0.92954287391477 15.999 > 6 *19 Zn 0.66666666666667 0.33333333333333 0.04837421878607 65.380 > 7 20 Zn 0.00000000000000 0.00000000000000 0.21504088545273 65.380 > 8 21 Zn 0.33333333333333 0.66666666666667 0.38170755211940 65.380 > 7 22 Zn 0.66666666666667 0.33333333333333 0.54837421878607 65.380 > 8 23 Zn 0.00000000000000 0.00000000000000 0.71504088545273 65.380 > 7 24 Zn 0.33333333333333 0.66666666666667 0.88170755211940 65.380 > 8 *25 Sn 0.66666666666667 0.33333333333333 0.33106384613632 118.710 > 9 26 Sn 0.33333333333333 0.66666666666667 0.16439717946966 118.710 > 10 27 Sn 0.33333333333333 0.66666666666667 0.66439717946966 118.710 > 9 28 Sn 0.00000000000000 0.00000000000000 0.49773051280299 118.710 > 10 29 Sn 0.00000000000000 0.00000000000000 0.99773051280299 118.710 > 9 30 Sn 0.66666666666667 0.33333333333333 0.83106384613632 118.710 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.571802635654546 0.000000000000000 0.000000000000000 b -5.285901317827272 9.155449646272123 0.000000000000000 c 0.000000000000000 0.000000000000000 14.025324800000000 Atomic positions (fractional): *1 O 0.00463652577843 0.35115530860625 0.09620954058143 15.999 > 1 2 O 0.50463652577843 0.35115530860625 0.09620954058143 15.999 > 1 3 O 0.00463652577843 0.85115530860625 0.09620954058143 15.999 > 1 4 O 0.50463652577843 0.85115530860625 0.09620954058143 15.999 > 1 5 O 0.14884469139375 0.15348121717218 0.09620954058143 15.999 > 2 6 O 0.64884469139375 0.15348121717218 0.09620954058143 15.999 > 2 7 O 0.14884469139375 0.65348121717218 0.09620954058143 15.999 > 2 8 O 0.64884469139375 0.65348121717218 0.09620954058143 15.999 > 2 9 O 0.34651878282782 0.49536347422157 0.09620954058143 15.999 > 3 10 O 0.84651878282782 0.49536347422157 0.09620954058143 15.999 > 3 11 O 0.34651878282782 0.99536347422157 0.09620954058143 15.999 > 3 12 O 0.84651878282782 0.99536347422157 0.09620954058143 15.999 > 3 13 O 0.31551135806042 0.32869680755490 0.26287620724810 15.999 > 4 14 O 0.81551135806042 0.32869680755490 0.26287620724810 15.999 > 4 15 O 0.31551135806042 0.82869680755490 0.26287620724810 15.999 > 4 16 O 0.81551135806042 0.82869680755490 0.26287620724810 15.999 > 4 17 O 0.01318544949448 0.18448864193958 0.26287620724810 15.999 > 5 18 O 0.51318544949448 0.18448864193958 0.26287620724810 15.999 > 5 19 O 0.01318544949448 0.68448864193958 0.26287620724810 15.999 > 5 20 O 0.51318544949448 0.68448864193958 0.26287620724810 15.999 > 5 21 O 0.17130319244510 0.48681455050552 0.26287620724810 15.999 > 6 22 O 0.67130319244510 0.48681455050552 0.26287620724810 15.999 > 6 23 O 0.17130319244510 0.98681455050552 0.26287620724810 15.999 > 6 24 O 0.67130319244510 0.98681455050552 0.26287620724810 15.999 > 6 25 O 0.33796985911177 0.01782197527292 0.42954287391477 15.999 > 1 26 O 0.83796985911177 0.01782197527292 0.42954287391477 15.999 > 1 27 O 0.33796985911177 0.51782197527292 0.42954287391477 15.999 > 1 28 O 0.83796985911177 0.51782197527292 0.42954287391477 15.999 > 1 29 O 0.48217802472708 0.32014788383885 0.42954287391477 15.999 > 2 30 O 0.98217802472708 0.32014788383885 0.42954287391477 15.999 > 2 31 O 0.48217802472708 0.82014788383885 0.42954287391477 15.999 > 2 32 O 0.98217802472708 0.82014788383885 0.42954287391477 15.999 > 2 33 O 0.17985211616115 0.16203014088823 0.42954287391477 15.999 > 3 34 O 0.67985211616115 0.16203014088823 0.42954287391477 15.999 > 3 35 O 0.17985211616115 0.66203014088823 0.42954287391477 15.999 > 3 36 O 0.67985211616115 0.66203014088823 0.42954287391477 15.999 > 3 37 O 0.14884469139375 0.49536347422157 0.59620954058143 15.999 > 4 38 O 0.64884469139375 0.49536347422157 0.59620954058143 15.999 > 4 39 O 0.14884469139375 0.99536347422157 0.59620954058143 15.999 > 4 40 O 0.64884469139375 0.99536347422157 0.59620954058143 15.999 > 4 41 O 0.34651878282782 0.35115530860625 0.59620954058143 15.999 > 5 42 O 0.84651878282782 0.35115530860625 0.59620954058143 15.999 > 5 43 O 0.34651878282782 0.85115530860625 0.59620954058143 15.999 > 5 44 O 0.84651878282782 0.85115530860625 0.59620954058143 15.999 > 5 45 O 0.00463652577843 0.15348121717218 0.59620954058143 15.999 > 6 46 O 0.50463652577843 0.15348121717218 0.59620954058143 15.999 > 6 47 O 0.00463652577843 0.65348121717218 0.59620954058143 15.999 > 6 48 O 0.50463652577843 0.65348121717218 0.59620954058143 15.999 > 6 49 O 0.17130319244510 0.18448864193958 0.76287620724810 15.999 > 1 50 O 0.67130319244510 0.18448864193958 0.76287620724810 15.999 > 1 51 O 0.17130319244510 0.68448864193958 0.76287620724810 15.999 > 1 52 O 0.67130319244510 0.68448864193958 0.76287620724810 15.999 > 1 53 O 0.31551135806042 0.48681455050552 0.76287620724810 15.999 > 2 54 O 0.81551135806042 0.48681455050552 0.76287620724810 15.999 > 2 55 O 0.31551135806042 0.98681455050552 0.76287620724810 15.999 > 2 56 O 0.81551135806042 0.98681455050552 0.76287620724810 15.999 > 2 57 O 0.01318544949448 0.32869680755490 0.76287620724810 15.999 > 3 58 O 0.51318544949448 0.32869680755490 0.76287620724810 15.999 > 3 59 O 0.01318544949448 0.82869680755490 0.76287620724810 15.999 > 3 60 O 0.51318544949448 0.82869680755490 0.76287620724810 15.999 > 3 61 O 0.48217802472708 0.16203014088823 0.92954287391477 15.999 > 4 62 O 0.98217802472708 0.16203014088823 0.92954287391477 15.999 > 4 63 O 0.48217802472708 0.66203014088823 0.92954287391477 15.999 > 4 64 O 0.98217802472708 0.66203014088823 0.92954287391477 15.999 > 4 65 O 0.17985211616115 0.01782197527292 0.92954287391477 15.999 > 5 66 O 0.67985211616115 0.01782197527292 0.92954287391477 15.999 > 5 67 O 0.17985211616115 0.51782197527292 0.92954287391477 15.999 > 5 68 O 0.67985211616115 0.51782197527292 0.92954287391477 15.999 > 5 69 O 0.33796985911177 0.32014788383885 0.92954287391477 15.999 > 6 70 O 0.83796985911177 0.32014788383885 0.92954287391477 15.999 > 6 71 O 0.33796985911177 0.82014788383885 0.92954287391477 15.999 > 6 72 O 0.83796985911177 0.82014788383885 0.92954287391477 15.999 > 6 *73 Zn 0.33333333333333 0.16666666666667 0.04837421878607 65.380 > 7 74 Zn 0.83333333333333 0.16666666666667 0.04837421878607 65.380 > 7 75 Zn 0.33333333333333 0.66666666666667 0.04837421878607 65.380 > 7 76 Zn 0.83333333333333 0.66666666666667 0.04837421878607 65.380 > 7 77 Zn 0.00000000000000 0.00000000000000 0.21504088545273 65.380 > 8 78 Zn 0.50000000000000 0.00000000000000 0.21504088545273 65.380 > 8 79 Zn 0.00000000000000 0.50000000000000 0.21504088545273 65.380 > 8 80 Zn 0.50000000000000 0.50000000000000 0.21504088545273 65.380 > 8 81 Zn 0.16666666666667 0.33333333333333 0.38170755211940 65.380 > 7 82 Zn 0.66666666666667 0.33333333333333 0.38170755211940 65.380 > 7 83 Zn 0.16666666666667 0.83333333333333 0.38170755211940 65.380 > 7 84 Zn 0.66666666666667 0.83333333333333 0.38170755211940 65.380 > 7 85 Zn 0.33333333333333 0.16666666666667 0.54837421878607 65.380 > 8 86 Zn 0.83333333333333 0.16666666666667 0.54837421878607 65.380 > 8 87 Zn 0.33333333333333 0.66666666666667 0.54837421878607 65.380 > 8 88 Zn 0.83333333333333 0.66666666666667 0.54837421878607 65.380 > 8 89 Zn 0.00000000000000 0.00000000000000 0.71504088545273 65.380 > 7 90 Zn 0.50000000000000 0.00000000000000 0.71504088545273 65.380 > 7 91 Zn 0.00000000000000 0.50000000000000 0.71504088545273 65.380 > 7 92 Zn 0.50000000000000 0.50000000000000 0.71504088545273 65.380 > 7 93 Zn 0.16666666666667 0.33333333333333 0.88170755211940 65.380 > 8 94 Zn 0.66666666666667 0.33333333333333 0.88170755211940 65.380 > 8 95 Zn 0.16666666666667 0.83333333333333 0.88170755211940 65.380 > 8 96 Zn 0.66666666666667 0.83333333333333 0.88170755211940 65.380 > 8 *97 Sn 0.33333333333333 0.16666666666667 0.33106384613632 118.710 > 9 98 Sn 0.83333333333333 0.16666666666667 0.33106384613632 118.710 > 9 99 Sn 0.33333333333333 0.66666666666667 0.33106384613632 118.710 > 9 100 Sn 0.83333333333333 0.66666666666667 0.33106384613632 118.710 > 9 101 Sn 0.16666666666667 0.33333333333333 0.16439717946966 118.710 > 10 102 Sn 0.66666666666667 0.33333333333333 0.16439717946966 118.710 > 10 103 Sn 0.16666666666667 0.83333333333333 0.16439717946966 118.710 > 10 104 Sn 0.66666666666667 0.83333333333333 0.16439717946966 118.710 > 10 105 Sn 0.16666666666667 0.33333333333333 0.66439717946966 118.710 > 9 106 Sn 0.66666666666667 0.33333333333333 0.66439717946966 118.710 > 9 107 Sn 0.16666666666667 0.83333333333333 0.66439717946966 118.710 > 9 108 Sn 0.66666666666667 0.83333333333333 0.66439717946966 118.710 > 9 109 Sn 0.00000000000000 0.00000000000000 0.49773051280299 118.710 > 10 110 Sn 0.50000000000000 0.00000000000000 0.49773051280299 118.710 > 10 111 Sn 0.00000000000000 0.50000000000000 0.49773051280299 118.710 > 10 112 Sn 0.50000000000000 0.50000000000000 0.49773051280299 118.710 > 10 113 Sn 0.00000000000000 0.00000000000000 0.99773051280299 118.710 > 9 114 Sn 0.50000000000000 0.00000000000000 0.99773051280299 118.710 > 9 115 Sn 0.00000000000000 0.50000000000000 0.99773051280299 118.710 > 9 116 Sn 0.50000000000000 0.50000000000000 0.99773051280299 118.710 > 9 117 Sn 0.33333333333333 0.16666666666667 0.83106384613632 118.710 > 10 118 Sn 0.83333333333333 0.16666666666667 0.83106384613632 118.710 > 10 119 Sn 0.33333333333333 0.66666666666667 0.83106384613632 118.710 > 10 120 Sn 0.83333333333333 0.66666666666667 0.83106384613632 118.710 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9749136 -0.0000000 0.0000000 0.0000000 4.9749136 0.0000000 0.0000000 0.0000000 4.7916892 -------------------------- Born effective charges -------------------------- 1 O -2.2233021 0.1933477 -0.5027293 0.1560870 -2.1449545 0.0664511 -0.5900411 -0.0284967 -2.1327538 2 O -2.0132317 -0.0348028 0.1938163 -0.0720635 -2.3550249 -0.4686019 0.3196994 -0.4967423 -2.1327538 3 O -2.3158510 -0.1026539 0.3089130 -0.1399145 -2.0524056 0.4021508 0.2703417 0.5252389 -2.1327538 4 O -2.3158510 0.1026539 -0.3089130 0.1399145 -2.0524056 0.4021508 -0.2703417 0.5252389 -2.1327538 5 O -2.2233021 -0.1933477 0.5027293 -0.1560870 -2.1449545 0.0664511 0.5900411 -0.0284967 -2.1327538 6 O -2.0132317 0.0348028 -0.1938163 0.0720635 -2.3550249 -0.4686019 -0.3196994 -0.4967423 -2.1327538 7 Zn 2.3863863 0.0598625 0.0000000 -0.0598625 2.3863863 -0.0000000 0.0000000 0.0000000 2.1926131 8 Zn 2.3863863 -0.0598625 0.0000000 0.0598625 2.3863863 -0.0000000 0.0000000 0.0000000 2.1926131 9 Sn 4.1659987 -0.3081464 0.0000000 0.3081464 4.1659987 -0.0000000 0.0000000 0.0000000 4.2056481 10 Sn 4.1659987 0.3081464 0.0000000 -0.3081464 4.1659987 -0.0000000 0.0000000 0.0000000 4.2056481 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 925 Number of blocks in projector: 474 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 117 Use standard eigh solver. Tree of FC basis block matrices: - (925, 910), data: False |-- (117, 114), data: True |-- (384, 380), data: True |-- (424, 416), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 240 - Time: 1.042 Solver_block: 200 / 240 - Time: 1.031 Solver_block: 240 / 240 - Time: 0.469 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.569 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 925 Number of blocks in projector: 474 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 117 Use standard eigh solver. Tree of FC basis block matrices: - (925, 910), data: False |-- (117, 114), data: True |-- (384, 380), data: True |-- (424, 416), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:15:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:15:33]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3c (161) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.642950658913639 1.525908274378686 4.675108266666662 b -2.642950658913633 1.525908274378686 4.675108266666662 c 0.000000000000002 -3.051816548757376 4.675108266666662 Atomic positions (fractional): 1 O 0.10548259213830 0.78924710623707 0.39389892336893 15.999 2 O 0.39389892336893 0.10548259213830 0.78924710623707 15.999 3 O 0.78924710623707 0.39389892336893 0.10548259213830 15.999 4 O 0.89389892336893 0.28924710623707 0.60548259213830 15.999 5 O 0.28924710623707 0.60548259213830 0.89389892336893 15.999 6 O 0.60548259213830 0.89389892336893 0.28924710623707 15.999 7 Zn 0.71504088545273 0.71504088545273 0.71504088545273 65.380 8 Zn 0.21504088545273 0.21504088545273 0.21504088545273 65.380 9 Sn 0.99773051280299 0.99773051280299 0.99773051280299 118.710 10 Sn 0.49773051280299 0.49773051280299 0.49773051280299 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.571802635654546 0.000000000000000 0.000000000000000 b -5.285901317827272 9.155449646272123 0.000000000000000 c 0.000000000000000 0.000000000000000 14.025324800000000 Atomic positions (fractional): 1 O 0.00463652577843 0.35115530860625 0.09620954058143 15.999 > 1 2 O 0.50463652577843 0.35115530860625 0.09620954058143 15.999 > 1 3 O 0.00463652577843 0.85115530860625 0.09620954058143 15.999 > 1 4 O 0.50463652577843 0.85115530860625 0.09620954058143 15.999 > 1 5 O 0.14884469139375 0.15348121717218 0.09620954058143 15.999 > 5 6 O 0.64884469139375 0.15348121717218 0.09620954058143 15.999 > 5 7 O 0.14884469139375 0.65348121717218 0.09620954058143 15.999 > 5 8 O 0.64884469139375 0.65348121717218 0.09620954058143 15.999 > 5 9 O 0.34651878282782 0.49536347422157 0.09620954058143 15.999 > 9 10 O 0.84651878282782 0.49536347422157 0.09620954058143 15.999 > 9 11 O 0.34651878282782 0.99536347422157 0.09620954058143 15.999 > 9 12 O 0.84651878282782 0.99536347422157 0.09620954058143 15.999 > 9 13 O 0.31551135806042 0.32869680755490 0.26287620724810 15.999 > 13 14 O 0.81551135806042 0.32869680755490 0.26287620724810 15.999 > 13 15 O 0.31551135806042 0.82869680755490 0.26287620724810 15.999 > 13 16 O 0.81551135806042 0.82869680755490 0.26287620724810 15.999 > 13 17 O 0.01318544949448 0.18448864193958 0.26287620724810 15.999 > 17 18 O 0.51318544949448 0.18448864193958 0.26287620724810 15.999 > 17 19 O 0.01318544949448 0.68448864193958 0.26287620724810 15.999 > 17 20 O 0.51318544949448 0.68448864193958 0.26287620724810 15.999 > 17 21 O 0.17130319244510 0.48681455050552 0.26287620724810 15.999 > 21 22 O 0.67130319244510 0.48681455050552 0.26287620724810 15.999 > 21 23 O 0.17130319244510 0.98681455050552 0.26287620724810 15.999 > 21 24 O 0.67130319244510 0.98681455050552 0.26287620724810 15.999 > 21 25 O 0.33796985911177 0.01782197527292 0.42954287391477 15.999 > 1 26 O 0.83796985911177 0.01782197527292 0.42954287391477 15.999 > 1 27 O 0.33796985911177 0.51782197527292 0.42954287391477 15.999 > 1 28 O 0.83796985911177 0.51782197527292 0.42954287391477 15.999 > 1 29 O 0.48217802472708 0.32014788383885 0.42954287391477 15.999 > 5 30 O 0.98217802472708 0.32014788383885 0.42954287391477 15.999 > 5 31 O 0.48217802472708 0.82014788383885 0.42954287391477 15.999 > 5 32 O 0.98217802472708 0.82014788383885 0.42954287391477 15.999 > 5 33 O 0.17985211616115 0.16203014088823 0.42954287391477 15.999 > 9 34 O 0.67985211616115 0.16203014088823 0.42954287391477 15.999 > 9 35 O 0.17985211616115 0.66203014088823 0.42954287391477 15.999 > 9 36 O 0.67985211616115 0.66203014088823 0.42954287391477 15.999 > 9 37 O 0.14884469139375 0.49536347422157 0.59620954058143 15.999 > 13 38 O 0.64884469139375 0.49536347422157 0.59620954058143 15.999 > 13 39 O 0.14884469139375 0.99536347422157 0.59620954058143 15.999 > 13 40 O 0.64884469139375 0.99536347422157 0.59620954058143 15.999 > 13 41 O 0.34651878282782 0.35115530860625 0.59620954058143 15.999 > 17 42 O 0.84651878282782 0.35115530860625 0.59620954058143 15.999 > 17 43 O 0.34651878282782 0.85115530860625 0.59620954058143 15.999 > 17 44 O 0.84651878282782 0.85115530860625 0.59620954058143 15.999 > 17 45 O 0.00463652577843 0.15348121717218 0.59620954058143 15.999 > 21 46 O 0.50463652577843 0.15348121717218 0.59620954058143 15.999 > 21 47 O 0.00463652577843 0.65348121717218 0.59620954058143 15.999 > 21 48 O 0.50463652577843 0.65348121717218 0.59620954058143 15.999 > 21 49 O 0.17130319244510 0.18448864193958 0.76287620724810 15.999 > 1 50 O 0.67130319244510 0.18448864193958 0.76287620724810 15.999 > 1 51 O 0.17130319244510 0.68448864193958 0.76287620724810 15.999 > 1 52 O 0.67130319244510 0.68448864193958 0.76287620724810 15.999 > 1 53 O 0.31551135806042 0.48681455050552 0.76287620724810 15.999 > 5 54 O 0.81551135806042 0.48681455050552 0.76287620724810 15.999 > 5 55 O 0.31551135806042 0.98681455050552 0.76287620724810 15.999 > 5 56 O 0.81551135806042 0.98681455050552 0.76287620724810 15.999 > 5 57 O 0.01318544949448 0.32869680755490 0.76287620724810 15.999 > 9 58 O 0.51318544949448 0.32869680755490 0.76287620724810 15.999 > 9 59 O 0.01318544949448 0.82869680755490 0.76287620724810 15.999 > 9 60 O 0.51318544949448 0.82869680755490 0.76287620724810 15.999 > 9 61 O 0.48217802472708 0.16203014088823 0.92954287391477 15.999 > 13 62 O 0.98217802472708 0.16203014088823 0.92954287391477 15.999 > 13 63 O 0.48217802472708 0.66203014088823 0.92954287391477 15.999 > 13 64 O 0.98217802472708 0.66203014088823 0.92954287391477 15.999 > 13 65 O 0.17985211616115 0.01782197527292 0.92954287391477 15.999 > 17 66 O 0.67985211616115 0.01782197527292 0.92954287391477 15.999 > 17 67 O 0.17985211616115 0.51782197527292 0.92954287391477 15.999 > 17 68 O 0.67985211616115 0.51782197527292 0.92954287391477 15.999 > 17 69 O 0.33796985911177 0.32014788383885 0.92954287391477 15.999 > 21 70 O 0.83796985911177 0.32014788383885 0.92954287391477 15.999 > 21 71 O 0.33796985911177 0.82014788383885 0.92954287391477 15.999 > 21 72 O 0.83796985911177 0.82014788383885 0.92954287391477 15.999 > 21 73 Zn 0.33333333333333 0.16666666666667 0.04837421878607 65.380 > 73 74 Zn 0.83333333333333 0.16666666666667 0.04837421878607 65.380 > 73 75 Zn 0.33333333333333 0.66666666666667 0.04837421878607 65.380 > 73 76 Zn 0.83333333333333 0.66666666666667 0.04837421878607 65.380 > 73 77 Zn 0.00000000000000 0.00000000000000 0.21504088545273 65.380 > 77 78 Zn 0.50000000000000 0.00000000000000 0.21504088545273 65.380 > 77 79 Zn 0.00000000000000 0.50000000000000 0.21504088545273 65.380 > 77 80 Zn 0.50000000000000 0.50000000000000 0.21504088545273 65.380 > 77 81 Zn 0.16666666666667 0.33333333333333 0.38170755211940 65.380 > 73 82 Zn 0.66666666666667 0.33333333333333 0.38170755211940 65.380 > 73 83 Zn 0.16666666666667 0.83333333333333 0.38170755211940 65.380 > 73 84 Zn 0.66666666666667 0.83333333333333 0.38170755211940 65.380 > 73 85 Zn 0.33333333333333 0.16666666666667 0.54837421878607 65.380 > 77 86 Zn 0.83333333333333 0.16666666666667 0.54837421878607 65.380 > 77 87 Zn 0.33333333333333 0.66666666666667 0.54837421878607 65.380 > 77 88 Zn 0.83333333333333 0.66666666666667 0.54837421878607 65.380 > 77 89 Zn 0.00000000000000 0.00000000000000 0.71504088545273 65.380 > 73 90 Zn 0.50000000000000 0.00000000000000 0.71504088545273 65.380 > 73 91 Zn 0.00000000000000 0.50000000000000 0.71504088545273 65.380 > 73 92 Zn 0.50000000000000 0.50000000000000 0.71504088545273 65.380 > 73 93 Zn 0.16666666666667 0.33333333333333 0.88170755211940 65.380 > 77 94 Zn 0.66666666666667 0.33333333333333 0.88170755211940 65.380 > 77 95 Zn 0.16666666666667 0.83333333333333 0.88170755211940 65.380 > 77 96 Zn 0.66666666666667 0.83333333333333 0.88170755211940 65.380 > 77 97 Sn 0.33333333333333 0.16666666666667 0.33106384613632 118.710 > 97 98 Sn 0.83333333333333 0.16666666666667 0.33106384613632 118.710 > 97 99 Sn 0.33333333333333 0.66666666666667 0.33106384613632 118.710 > 97 100 Sn 0.83333333333333 0.66666666666667 0.33106384613632 118.710 > 97 101 Sn 0.16666666666667 0.33333333333333 0.16439717946966 118.710 > 101 102 Sn 0.66666666666667 0.33333333333333 0.16439717946966 118.710 > 101 103 Sn 0.16666666666667 0.83333333333333 0.16439717946966 118.710 > 101 104 Sn 0.66666666666667 0.83333333333333 0.16439717946966 118.710 > 101 105 Sn 0.16666666666667 0.33333333333333 0.66439717946966 118.710 > 97 106 Sn 0.66666666666667 0.33333333333333 0.66439717946966 118.710 > 97 107 Sn 0.16666666666667 0.83333333333333 0.66439717946966 118.710 > 97 108 Sn 0.66666666666667 0.83333333333333 0.66439717946966 118.710 > 97 109 Sn 0.00000000000000 0.00000000000000 0.49773051280299 118.710 > 101 110 Sn 0.50000000000000 0.00000000000000 0.49773051280299 118.710 > 101 111 Sn 0.00000000000000 0.50000000000000 0.49773051280299 118.710 > 101 112 Sn 0.50000000000000 0.50000000000000 0.49773051280299 118.710 > 101 113 Sn 0.00000000000000 0.00000000000000 0.99773051280299 118.710 > 97 114 Sn 0.50000000000000 0.00000000000000 0.99773051280299 118.710 > 97 115 Sn 0.00000000000000 0.50000000000000 0.99773051280299 118.710 > 97 116 Sn 0.50000000000000 0.50000000000000 0.99773051280299 118.710 > 97 117 Sn 0.33333333333333 0.16666666666667 0.83106384613632 118.710 > 101 118 Sn 0.83333333333333 0.16666666666667 0.83106384613632 118.710 > 101 119 Sn 0.33333333333333 0.66666666666667 0.83106384613632 118.710 > 101 120 Sn 0.83333333333333 0.66666666666667 0.83106384613632 118.710 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9749136 -0.0000000 0.0000000 0.0000000 4.9749136 0.0000000 0.0000000 0.0000000 4.7916892 -------------------------- Born effective charges -------------------------- 1 O -2.2233021 0.1933477 -0.5027293 0.1560870 -2.1449545 0.0664511 -0.5900411 -0.0284967 -2.1327538 2 O -2.0132317 -0.0348028 0.1938163 -0.0720635 -2.3550249 -0.4686019 0.3196994 -0.4967423 -2.1327538 3 O -2.3158510 -0.1026539 0.3089130 -0.1399145 -2.0524056 0.4021508 0.2703417 0.5252389 -2.1327538 4 O -2.3158510 0.1026539 -0.3089130 0.1399145 -2.0524056 0.4021508 -0.2703417 0.5252389 -2.1327538 5 O -2.2233021 -0.1933477 0.5027293 -0.1560870 -2.1449545 0.0664511 0.5900411 -0.0284967 -2.1327538 6 O -2.0132317 0.0348028 -0.1938163 0.0720635 -2.3550249 -0.4686019 -0.3196994 -0.4967423 -2.1327538 7 Zn 2.3863863 0.0598625 0.0000000 -0.0598625 2.3863863 -0.0000000 0.0000000 0.0000000 2.1926131 8 Zn 2.3863863 -0.0598625 0.0000000 0.0598625 2.3863863 -0.0000000 0.0000000 0.0000000 2.1926131 9 Sn 4.1659987 -0.3081464 0.0000000 0.3081464 4.1659987 -0.0000000 0.0000000 0.0000000 4.2056481 10 Sn 4.1659987 0.3081464 0.0000000 -0.3081464 4.1659987 -0.0000000 0.0000000 0.0000000 4.2056481 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (yx) 0.00000005 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:15:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:15:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R3c (161) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.642950658913639 1.525908274378686 4.675108266666662 b -2.642950658913633 1.525908274378686 4.675108266666662 c 0.000000000000002 -3.051816548757376 4.675108266666662 Atomic positions (fractional): 1 O 0.10548259213830 0.78924710623707 0.39389892336893 15.999 2 O 0.39389892336893 0.10548259213830 0.78924710623707 15.999 3 O 0.78924710623707 0.39389892336893 0.10548259213830 15.999 4 O 0.89389892336893 0.28924710623707 0.60548259213830 15.999 5 O 0.28924710623707 0.60548259213830 0.89389892336893 15.999 6 O 0.60548259213830 0.89389892336893 0.28924710623707 15.999 7 Zn 0.71504088545273 0.71504088545273 0.71504088545273 65.380 8 Zn 0.21504088545273 0.21504088545273 0.21504088545273 65.380 9 Sn 0.99773051280299 0.99773051280299 0.99773051280299 118.710 10 Sn 0.49773051280299 0.49773051280299 0.49773051280299 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.571802635654546 0.000000000000000 0.000000000000000 b -5.285901317827272 9.155449646272123 0.000000000000000 c 0.000000000000000 0.000000000000000 14.025324800000000 Atomic positions (fractional): 1 O 0.00463652577843 0.35115530860625 0.09620954058143 15.999 > 1 2 O 0.50463652577843 0.35115530860625 0.09620954058143 15.999 > 1 3 O 0.00463652577843 0.85115530860625 0.09620954058143 15.999 > 1 4 O 0.50463652577843 0.85115530860625 0.09620954058143 15.999 > 1 5 O 0.14884469139375 0.15348121717218 0.09620954058143 15.999 > 5 6 O 0.64884469139375 0.15348121717218 0.09620954058143 15.999 > 5 7 O 0.14884469139375 0.65348121717218 0.09620954058143 15.999 > 5 8 O 0.64884469139375 0.65348121717218 0.09620954058143 15.999 > 5 9 O 0.34651878282782 0.49536347422157 0.09620954058143 15.999 > 9 10 O 0.84651878282782 0.49536347422157 0.09620954058143 15.999 > 9 11 O 0.34651878282782 0.99536347422157 0.09620954058143 15.999 > 9 12 O 0.84651878282782 0.99536347422157 0.09620954058143 15.999 > 9 13 O 0.31551135806042 0.32869680755490 0.26287620724810 15.999 > 13 14 O 0.81551135806042 0.32869680755490 0.26287620724810 15.999 > 13 15 O 0.31551135806042 0.82869680755490 0.26287620724810 15.999 > 13 16 O 0.81551135806042 0.82869680755490 0.26287620724810 15.999 > 13 17 O 0.01318544949448 0.18448864193958 0.26287620724810 15.999 > 17 18 O 0.51318544949448 0.18448864193958 0.26287620724810 15.999 > 17 19 O 0.01318544949448 0.68448864193958 0.26287620724810 15.999 > 17 20 O 0.51318544949448 0.68448864193958 0.26287620724810 15.999 > 17 21 O 0.17130319244510 0.48681455050552 0.26287620724810 15.999 > 21 22 O 0.67130319244510 0.48681455050552 0.26287620724810 15.999 > 21 23 O 0.17130319244510 0.98681455050552 0.26287620724810 15.999 > 21 24 O 0.67130319244510 0.98681455050552 0.26287620724810 15.999 > 21 25 O 0.33796985911177 0.01782197527292 0.42954287391477 15.999 > 1 26 O 0.83796985911177 0.01782197527292 0.42954287391477 15.999 > 1 27 O 0.33796985911177 0.51782197527292 0.42954287391477 15.999 > 1 28 O 0.83796985911177 0.51782197527292 0.42954287391477 15.999 > 1 29 O 0.48217802472708 0.32014788383885 0.42954287391477 15.999 > 5 30 O 0.98217802472708 0.32014788383885 0.42954287391477 15.999 > 5 31 O 0.48217802472708 0.82014788383885 0.42954287391477 15.999 > 5 32 O 0.98217802472708 0.82014788383885 0.42954287391477 15.999 > 5 33 O 0.17985211616115 0.16203014088823 0.42954287391477 15.999 > 9 34 O 0.67985211616115 0.16203014088823 0.42954287391477 15.999 > 9 35 O 0.17985211616115 0.66203014088823 0.42954287391477 15.999 > 9 36 O 0.67985211616115 0.66203014088823 0.42954287391477 15.999 > 9 37 O 0.14884469139375 0.49536347422157 0.59620954058143 15.999 > 13 38 O 0.64884469139375 0.49536347422157 0.59620954058143 15.999 > 13 39 O 0.14884469139375 0.99536347422157 0.59620954058143 15.999 > 13 40 O 0.64884469139375 0.99536347422157 0.59620954058143 15.999 > 13 41 O 0.34651878282782 0.35115530860625 0.59620954058143 15.999 > 17 42 O 0.84651878282782 0.35115530860625 0.59620954058143 15.999 > 17 43 O 0.34651878282782 0.85115530860625 0.59620954058143 15.999 > 17 44 O 0.84651878282782 0.85115530860625 0.59620954058143 15.999 > 17 45 O 0.00463652577843 0.15348121717218 0.59620954058143 15.999 > 21 46 O 0.50463652577843 0.15348121717218 0.59620954058143 15.999 > 21 47 O 0.00463652577843 0.65348121717218 0.59620954058143 15.999 > 21 48 O 0.50463652577843 0.65348121717218 0.59620954058143 15.999 > 21 49 O 0.17130319244510 0.18448864193958 0.76287620724810 15.999 > 1 50 O 0.67130319244510 0.18448864193958 0.76287620724810 15.999 > 1 51 O 0.17130319244510 0.68448864193958 0.76287620724810 15.999 > 1 52 O 0.67130319244510 0.68448864193958 0.76287620724810 15.999 > 1 53 O 0.31551135806042 0.48681455050552 0.76287620724810 15.999 > 5 54 O 0.81551135806042 0.48681455050552 0.76287620724810 15.999 > 5 55 O 0.31551135806042 0.98681455050552 0.76287620724810 15.999 > 5 56 O 0.81551135806042 0.98681455050552 0.76287620724810 15.999 > 5 57 O 0.01318544949448 0.32869680755490 0.76287620724810 15.999 > 9 58 O 0.51318544949448 0.32869680755490 0.76287620724810 15.999 > 9 59 O 0.01318544949448 0.82869680755490 0.76287620724810 15.999 > 9 60 O 0.51318544949448 0.82869680755490 0.76287620724810 15.999 > 9 61 O 0.48217802472708 0.16203014088823 0.92954287391477 15.999 > 13 62 O 0.98217802472708 0.16203014088823 0.92954287391477 15.999 > 13 63 O 0.48217802472708 0.66203014088823 0.92954287391477 15.999 > 13 64 O 0.98217802472708 0.66203014088823 0.92954287391477 15.999 > 13 65 O 0.17985211616115 0.01782197527292 0.92954287391477 15.999 > 17 66 O 0.67985211616115 0.01782197527292 0.92954287391477 15.999 > 17 67 O 0.17985211616115 0.51782197527292 0.92954287391477 15.999 > 17 68 O 0.67985211616115 0.51782197527292 0.92954287391477 15.999 > 17 69 O 0.33796985911177 0.32014788383885 0.92954287391477 15.999 > 21 70 O 0.83796985911177 0.32014788383885 0.92954287391477 15.999 > 21 71 O 0.33796985911177 0.82014788383885 0.92954287391477 15.999 > 21 72 O 0.83796985911177 0.82014788383885 0.92954287391477 15.999 > 21 73 Zn 0.33333333333333 0.16666666666667 0.04837421878607 65.380 > 73 74 Zn 0.83333333333333 0.16666666666667 0.04837421878607 65.380 > 73 75 Zn 0.33333333333333 0.66666666666667 0.04837421878607 65.380 > 73 76 Zn 0.83333333333333 0.66666666666667 0.04837421878607 65.380 > 73 77 Zn 0.00000000000000 0.00000000000000 0.21504088545273 65.380 > 77 78 Zn 0.50000000000000 0.00000000000000 0.21504088545273 65.380 > 77 79 Zn 0.00000000000000 0.50000000000000 0.21504088545273 65.380 > 77 80 Zn 0.50000000000000 0.50000000000000 0.21504088545273 65.380 > 77 81 Zn 0.16666666666667 0.33333333333333 0.38170755211940 65.380 > 73 82 Zn 0.66666666666667 0.33333333333333 0.38170755211940 65.380 > 73 83 Zn 0.16666666666667 0.83333333333333 0.38170755211940 65.380 > 73 84 Zn 0.66666666666667 0.83333333333333 0.38170755211940 65.380 > 73 85 Zn 0.33333333333333 0.16666666666667 0.54837421878607 65.380 > 77 86 Zn 0.83333333333333 0.16666666666667 0.54837421878607 65.380 > 77 87 Zn 0.33333333333333 0.66666666666667 0.54837421878607 65.380 > 77 88 Zn 0.83333333333333 0.66666666666667 0.54837421878607 65.380 > 77 89 Zn 0.00000000000000 0.00000000000000 0.71504088545273 65.380 > 73 90 Zn 0.50000000000000 0.00000000000000 0.71504088545273 65.380 > 73 91 Zn 0.00000000000000 0.50000000000000 0.71504088545273 65.380 > 73 92 Zn 0.50000000000000 0.50000000000000 0.71504088545273 65.380 > 73 93 Zn 0.16666666666667 0.33333333333333 0.88170755211940 65.380 > 77 94 Zn 0.66666666666667 0.33333333333333 0.88170755211940 65.380 > 77 95 Zn 0.16666666666667 0.83333333333333 0.88170755211940 65.380 > 77 96 Zn 0.66666666666667 0.83333333333333 0.88170755211940 65.380 > 77 97 Sn 0.33333333333333 0.16666666666667 0.33106384613632 118.710 > 97 98 Sn 0.83333333333333 0.16666666666667 0.33106384613632 118.710 > 97 99 Sn 0.33333333333333 0.66666666666667 0.33106384613632 118.710 > 97 100 Sn 0.83333333333333 0.66666666666667 0.33106384613632 118.710 > 97 101 Sn 0.16666666666667 0.33333333333333 0.16439717946966 118.710 > 101 102 Sn 0.66666666666667 0.33333333333333 0.16439717946966 118.710 > 101 103 Sn 0.16666666666667 0.83333333333333 0.16439717946966 118.710 > 101 104 Sn 0.66666666666667 0.83333333333333 0.16439717946966 118.710 > 101 105 Sn 0.16666666666667 0.33333333333333 0.66439717946966 118.710 > 97 106 Sn 0.66666666666667 0.33333333333333 0.66439717946966 118.710 > 97 107 Sn 0.16666666666667 0.83333333333333 0.66439717946966 118.710 > 97 108 Sn 0.66666666666667 0.83333333333333 0.66439717946966 118.710 > 97 109 Sn 0.00000000000000 0.00000000000000 0.49773051280299 118.710 > 101 110 Sn 0.50000000000000 0.00000000000000 0.49773051280299 118.710 > 101 111 Sn 0.00000000000000 0.50000000000000 0.49773051280299 118.710 > 101 112 Sn 0.50000000000000 0.50000000000000 0.49773051280299 118.710 > 101 113 Sn 0.00000000000000 0.00000000000000 0.99773051280299 118.710 > 97 114 Sn 0.50000000000000 0.00000000000000 0.99773051280299 118.710 > 97 115 Sn 0.00000000000000 0.50000000000000 0.99773051280299 118.710 > 97 116 Sn 0.50000000000000 0.50000000000000 0.99773051280299 118.710 > 97 117 Sn 0.33333333333333 0.16666666666667 0.83106384613632 118.710 > 101 118 Sn 0.83333333333333 0.16666666666667 0.83106384613632 118.710 > 101 119 Sn 0.33333333333333 0.66666666666667 0.83106384613632 118.710 > 101 120 Sn 0.83333333333333 0.66666666666667 0.83106384613632 118.710 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9749136 -0.0000000 0.0000000 0.0000000 4.9749136 0.0000000 0.0000000 0.0000000 4.7916892 -------------------------- Born effective charges -------------------------- 1 O -2.2233021 0.1933477 -0.5027293 0.1560870 -2.1449545 0.0664511 -0.5900411 -0.0284967 -2.1327538 2 O -2.0132317 -0.0348028 0.1938163 -0.0720635 -2.3550249 -0.4686019 0.3196994 -0.4967423 -2.1327538 3 O -2.3158510 -0.1026539 0.3089130 -0.1399145 -2.0524056 0.4021508 0.2703417 0.5252389 -2.1327538 4 O -2.3158510 0.1026539 -0.3089130 0.1399145 -2.0524056 0.4021508 -0.2703417 0.5252389 -2.1327538 5 O -2.2233021 -0.1933477 0.5027293 -0.1560870 -2.1449545 0.0664511 0.5900411 -0.0284967 -2.1327538 6 O -2.0132317 0.0348028 -0.1938163 0.0720635 -2.3550249 -0.4686019 -0.3196994 -0.4967423 -2.1327538 7 Zn 2.3863863 0.0598625 0.0000000 -0.0598625 2.3863863 -0.0000000 0.0000000 0.0000000 2.1926131 8 Zn 2.3863863 -0.0598625 0.0000000 0.0598625 2.3863863 -0.0000000 0.0000000 0.0000000 2.1926131 9 Sn 4.1659987 -0.3081464 0.0000000 0.3081464 4.1659987 -0.0000000 0.0000000 0.0000000 4.2056481 10 Sn 4.1659987 0.3081464 0.0000000 -0.3081464 4.1659987 -0.0000000 0.0000000 0.0000000 4.2056481 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 11 11 11 ] 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: 0.86, Number of G-points: 297, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/146) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 146 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 3.339 ( -0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 -0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 -0.000) 0.000 5.616 ( -0.000 -0.000 0.000) 0.000 6.456 ( 0.000 -0.000 -0.000) 0.000 6.456 ( 0.000 0.000 -0.000) 0.000 6.821 ( 0.000 0.000 -0.000) 0.000 7.381 ( 0.000 -0.000 0.000) 0.000 7.381 ( 0.000 -0.000 -0.000) 0.000 7.854 ( 0.000 -0.000 -0.000) 0.000 8.670 ( 0.000 0.000 0.000) 0.000 8.670 ( 0.000 -0.000 -0.000) 0.000 11.467 ( -0.000 0.000 -0.000) 0.000 12.026 ( 0.000 0.000 0.000) 0.000 12.026 ( 0.000 -0.000 0.000) 0.000 13.612 ( 0.000 0.000 0.000) 0.000 13.962 ( 0.000 -0.000 0.000) 0.000 13.962 ( 0.000 0.000 -0.000) 0.000 15.305 ( 0.000 0.000 -0.000) 0.000 15.305 ( 0.000 -0.000 -0.000) 0.000 15.511 ( -0.000 0.000 -0.000) 0.000 17.067 ( 0.000 0.000 0.000) 0.000 18.843 ( 0.000 -0.000 -0.000) 0.000 18.843 ( 0.000 -0.000 0.000) 0.000 20.033 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/146) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 25.239 14.572 12.087) 31.551 0.754 ( 29.772 17.189 8.353) 35.378 1.381 ( 54.629 31.540 16.167) 65.119 3.293 ( -3.774 -2.179 -0.407) 4.377 4.187 ( -4.501 -2.599 15.435) 16.286 4.470 ( -4.186 -2.417 -6.976) 8.487 4.718 ( -1.192 -0.688 -0.939) 1.666 5.536 ( -4.350 -2.511 -8.353) 9.746 5.571 ( -3.901 -2.252 3.337) 5.606 6.518 ( 3.396 1.960 3.317) 5.135 6.652 ( 3.062 1.768 -12.587) 13.074 7.221 ( -11.731 -6.773 35.005) 37.535 7.433 ( 2.889 1.668 3.819) 5.070 7.677 ( -3.327 -1.921 41.532) 41.710 7.725 ( -9.399 -5.427 -1.576) 10.967 8.742 ( 5.910 3.412 -2.679) 7.331 8.790 ( 4.889 2.823 3.138) 6.459 11.415 ( -4.266 -2.463 -0.956) 5.018 12.057 ( 2.590 1.495 0.124) 2.993 13.395 ( -2.953 -1.705 -6.000) 6.901 13.691 ( 4.115 2.376 1.514) 4.987 14.004 ( 4.551 2.628 -3.480) 6.303 14.866 ( -3.293 -1.901 -4.965) 6.254 15.118 ( -10.883 -6.283 -0.611) 12.581 15.675 ( 9.296 5.367 -0.367) 10.740 16.414 ( 25.772 14.879 -82.070) 87.299 17.569 ( -20.516 -11.845 73.506) 77.229 18.782 ( -4.315 -2.491 -3.334) 5.995 20.036 ( 0.328 0.189 -0.115) 0.396 20.173 ( 1.700 0.982 -5.517) 5.856 ======================= Grid point 2 (3/146) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 23.166 13.375 11.152) 28.981 1.457 ( 27.152 15.676 6.001) 31.922 2.692 ( 50.357 29.074 14.191) 59.854 3.175 ( -5.789 -3.342 -0.281) 6.691 4.174 ( -3.748 -2.164 9.172) 10.141 4.284 ( -6.599 -3.810 -10.243) 12.767 4.675 ( -3.901 -2.252 4.777) 6.566 5.344 ( -4.452 -2.571 -14.667) 15.542 5.522 ( -2.554 -1.474 5.794) 6.501 6.604 ( 0.741 0.428 5.757) 5.820 6.626 ( -2.137 -1.234 -0.608) 2.541 7.189 ( -4.929 -2.846 15.938) 16.924 7.405 ( -11.534 -6.659 1.094) 13.363 7.584 ( 1.667 0.962 2.641) 3.268 7.910 ( 5.649 3.261 19.590) 20.648 8.860 ( 6.410 3.701 -6.482) 9.838 8.984 ( 9.884 5.707 3.704) 11.999 11.260 ( -8.121 -4.689 -2.525) 9.712 12.139 ( 4.116 2.377 0.600) 4.791 13.242 ( -8.244 -4.759 -0.481) 9.531 13.821 ( 6.035 3.484 -0.549) 6.990 14.111 ( 6.583 3.800 -5.253) 9.240 14.749 ( -5.813 -3.356 5.139) 8.453 14.877 ( -8.355 -4.824 -2.358) 9.932 15.874 ( 8.176 4.720 -0.353) 9.447 16.488 ( 12.833 7.409 -32.648) 35.854 17.572 ( -9.709 -5.606 33.974) 35.776 18.611 ( -7.624 -4.401 -6.474) 10.927 20.046 ( 0.602 0.348 -0.281) 0.750 20.175 ( 0.634 0.366 -2.173) 2.293 ======================= Grid point 3 (4/146) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 19.784 11.422 9.877) 24.889 2.062 ( 22.922 13.234 2.309) 26.568 3.055 ( -4.189 -2.419 0.988) 4.937 3.798 ( 32.600 18.821 10.738) 39.145 4.063 ( -6.395 -3.692 -9.663) 12.161 4.142 ( -0.586 -0.338 6.294) 6.331 4.571 ( -7.041 -4.065 6.445) 10.375 5.247 ( 6.240 3.603 -13.397) 15.212 5.533 ( -0.091 -0.052 6.534) 6.535 6.530 ( -5.328 -3.076 -1.938) 6.451 6.585 ( -6.389 -3.689 3.839) 8.317 7.153 ( -10.366 -5.985 7.376) 14.059 7.216 ( -0.259 -0.149 10.384) 10.388 7.614 ( -1.610 -0.929 0.327) 1.887 8.168 ( 7.071 4.082 14.361) 16.520 8.935 ( 4.820 2.783 -10.918) 12.254 9.279 ( 13.164 7.600 4.438) 15.835 11.016 ( -11.117 -6.419 -4.158) 13.494 12.243 ( 4.396 2.538 0.714) 5.126 13.027 ( -10.192 -5.884 0.440) 11.777 13.909 ( 1.534 0.886 -1.644) 2.417 14.172 ( -0.299 -0.173 -3.676) 3.692 14.725 ( -0.196 -0.113 11.272) 11.275 14.770 ( 2.750 1.588 -5.821) 6.631 16.046 ( 7.160 4.134 -0.532) 8.285 16.563 ( 6.446 3.722 -13.648) 15.545 17.564 ( -6.185 -3.571 20.318) 21.536 18.362 ( -9.298 -5.368 -9.156) 14.111 20.060 ( 0.876 0.506 -0.462) 1.112 20.171 ( -0.141 -0.081 -0.861) 0.876 ======================= Grid point 4 (5/146) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 15.471 8.932 8.406) 19.743 2.532 ( 17.917 10.344 -1.378) 20.734 3.012 ( -0.676 -0.390 1.846) 2.004 3.851 ( -15.345 -8.859 5.085) 18.434 3.896 ( -2.733 -1.578 -6.824) 7.518 4.188 ( -7.988 -4.612 1.741) 9.387 4.901 ( 25.512 14.729 4.380) 29.782 5.489 ( 19.747 11.401 -5.474) 23.450 5.590 ( 1.183 0.683 5.705) 5.866 6.351 ( -13.841 -7.991 0.975) 16.012 6.392 ( -3.706 -2.139 -3.844) 5.752 7.040 ( -7.923 -4.574 14.997) 17.567 7.288 ( 1.595 0.921 4.809) 5.149 7.502 ( -6.377 -3.682 -3.736) 8.257 8.416 ( 6.122 3.535 15.400) 16.945 8.931 ( 2.093 1.209 -15.291) 15.481 9.630 ( 14.559 8.406 4.809) 17.486 10.706 ( -13.021 -7.518 -5.159) 15.896 12.346 ( 4.441 2.564 0.163) 5.131 12.798 ( -9.773 -5.642 0.801) 11.313 13.888 ( -1.690 -0.976 -0.349) 1.982 14.064 ( -5.798 -3.347 -2.464) 7.134 14.861 ( 4.277 2.469 11.376) 12.402 14.893 ( 9.373 5.412 -7.224) 13.013 16.204 ( 7.331 4.232 -1.448) 8.588 16.588 ( 0.054 0.031 -3.058) 3.058 17.567 ( -2.660 -1.536 13.818) 14.155 18.082 ( -9.044 -5.221 -10.940) 15.124 20.080 ( 1.162 0.671 -0.570) 1.457 20.157 ( -0.827 -0.478 -0.126) 0.964 ======================= Grid point 5 (6/146) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 10.135 5.852 6.644) 13.458 2.821 ( 3.989 2.303 -4.218) 6.246 3.068 ( 9.475 5.470 0.560) 10.955 3.444 ( -19.573 -11.301 1.053) 22.626 3.881 ( 4.327 2.498 -3.237) 5.953 4.014 ( -7.708 -4.450 1.890) 9.098 5.379 ( 15.105 8.721 2.507) 17.621 5.611 ( -3.450 -1.992 1.046) 4.119 5.892 ( 12.564 7.254 -8.933) 17.037 6.054 ( -11.757 -6.788 6.246) 14.944 6.444 ( 13.464 7.774 -1.035) 15.582 6.842 ( -17.616 -10.171 7.941) 21.836 7.335 ( 1.319 0.762 -0.593) 1.635 7.366 ( -2.714 -1.567 -0.466) 3.168 8.645 ( 4.214 2.433 18.135) 18.777 8.831 ( -1.300 -0.750 -18.293) 18.354 9.998 ( 14.596 8.427 5.062) 17.598 10.361 ( -14.036 -8.104 -5.320) 17.058 12.456 ( 5.496 3.173 -0.544) 6.370 12.601 ( -7.705 -4.449 0.888) 8.941 13.869 ( 0.286 0.165 1.409) 1.447 13.930 ( -3.914 -2.260 -2.252) 5.049 15.007 ( 1.695 0.979 8.755) 8.971 15.023 ( 4.923 2.842 -7.169) 9.149 16.367 ( 8.002 4.620 -2.727) 9.634 16.517 ( -5.852 -3.379 2.090) 7.074 17.643 ( 2.367 1.366 11.535) 11.854 17.824 ( -6.708 -3.873 -11.461) 13.833 20.106 ( 1.344 0.776 -0.532) 1.641 20.133 ( -1.258 -0.726 0.310) 1.485 ======================= Grid point 12 (7/146) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -0.000 25.213 20.951) 32.782 0.836 ( -0.000 31.125 15.655) 34.840 1.517 ( -0.000 56.154 27.882) 62.695 3.290 ( -0.000 -4.225 -0.708) 4.284 4.175 ( -0.000 -14.417 5.550) 15.448 4.555 ( -0.000 0.333 1.655) 1.688 4.617 ( 0.000 -3.021 -6.856) 7.492 5.548 ( -0.000 -7.077 1.055) 7.155 5.717 ( -0.000 6.196 2.089) 6.538 6.485 ( 0.000 1.607 -0.208) 1.620 6.614 ( 0.000 6.530 -2.490) 6.988 7.340 ( -0.000 -13.652 19.787) 24.039 7.360 ( 0.000 -0.745 -3.358) 3.440 7.710 ( 0.000 -9.637 -3.218) 10.160 8.100 ( -0.000 -37.632 69.019) 78.612 8.780 ( -0.000 -0.321 5.306) 5.316 8.782 ( 0.000 9.128 1.309) 9.221 11.408 ( 0.000 -4.782 -1.622) 5.049 12.084 ( -0.000 3.924 3.010) 4.945 13.270 ( 0.000 3.377 -15.896) 16.251 13.738 ( -0.000 2.365 4.450) 5.039 14.035 ( 0.000 6.774 -0.373) 6.784 14.717 ( 0.000 3.250 -20.662) 20.916 15.189 ( -0.000 -10.568 5.875) 12.092 15.708 ( -0.000 12.847 3.756) 13.385 15.942 ( 0.000 40.768 -55.984) 69.255 17.964 ( -0.000 -33.368 49.136) 59.394 18.799 ( 0.000 -3.283 -1.623) 3.662 20.034 ( 0.000 0.211 -0.336) 0.397 20.074 ( 0.000 2.440 -11.243) 11.505 ======================= Grid point 13 (8/146) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 10.775 21.227 18.181) 29.954 1.361 ( 13.778 25.797 12.420) 31.774 2.501 ( 28.295 47.197 22.130) 59.312 3.209 ( -3.059 -5.111 -0.551) 5.982 4.055 ( 1.135 -13.616 -2.660) 13.920 4.452 ( -7.761 2.015 -1.452) 8.149 4.647 ( 4.271 -2.770 0.708) 5.139 5.361 ( -10.563 -8.348 0.068) 13.464 5.711 ( -7.337 7.234 1.481) 10.410 6.530 ( 3.527 -3.424 -0.085) 4.916 6.688 ( 1.624 3.144 3.133) 4.726 7.186 ( -4.900 -14.396 5.033) 16.019 7.451 ( 4.273 -9.513 4.255) 11.263 7.592 ( -1.967 1.253 4.065) 4.687 8.140 ( -4.297 -7.727 36.152) 37.217 8.798 ( 0.636 5.420 -2.384) 5.956 8.953 ( 5.506 9.164 2.014) 10.879 11.297 ( -4.603 -6.675 -2.816) 8.584 12.150 ( 0.078 5.403 3.462) 6.417 13.227 ( 1.427 -6.026 -6.452) 8.943 13.785 ( 1.005 4.294 1.880) 4.794 14.093 ( 0.050 9.130 -4.443) 10.154 14.660 ( 3.956 -9.016 -6.290) 11.683 15.036 ( -9.397 -3.769 3.800) 10.814 15.868 ( 1.688 11.784 2.515) 12.167 16.163 ( 14.765 19.139 -26.960) 36.210 17.861 ( -8.806 -16.141 30.329) 35.467 18.667 ( -7.753 -3.490 -4.877) 9.801 20.034 ( 0.507 -0.100 -0.916) 1.052 20.078 ( 5.294 -1.793 -7.362) 9.243 ======================= Grid point 14 (9/146) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 13.639 15.537 14.560) 25.287 1.919 ( 16.077 20.055 7.758) 26.849 3.091 ( -3.372 -4.653 0.886) 5.814 3.572 ( 29.731 33.372 14.129) 46.875 3.928 ( 2.828 -8.704 -5.734) 10.799 4.330 ( -8.573 2.266 0.683) 8.894 4.671 ( -2.308 -4.945 5.653) 7.857 5.119 ( -3.690 -4.921 -4.480) 7.610 5.680 ( -5.653 7.149 3.657) 9.820 6.497 ( -0.477 -7.438 -1.612) 7.626 6.681 ( -5.337 -5.508 -1.921) 7.906 7.044 ( 3.687 -12.358 5.976) 14.214 7.368 ( -3.852 -5.427 6.140) 9.055 7.695 ( -1.581 6.932 5.859) 9.213 8.272 ( 0.915 0.333 24.081) 24.101 8.848 ( 2.035 5.401 -8.027) 9.886 9.186 ( 9.539 9.441 1.876) 13.551 11.086 ( -8.539 -7.896 -4.367) 12.423 12.236 ( 1.209 4.833 3.343) 5.999 13.089 ( -5.031 -8.856 -1.935) 10.368 13.882 ( 3.016 4.031 -0.291) 5.043 14.143 ( 1.064 4.127 -5.361) 6.849 14.585 ( 2.749 -11.295 0.081) 11.625 14.929 ( -5.111 5.621 2.786) 8.092 16.026 ( 2.848 8.889 2.226) 9.595 16.406 ( 9.961 10.470 -9.913) 17.525 17.764 ( -7.346 -8.658 20.219) 23.189 18.426 ( -10.446 -3.828 -8.482) 13.991 20.038 ( 1.141 -0.468 -1.360) 1.836 20.101 ( 4.484 -2.916 -4.679) 7.106 ======================= Grid point 15 (10/146) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 13.508 9.679 10.598) 19.710 2.394 ( 14.061 15.632 3.490) 21.313 3.021 ( -1.267 -3.345 2.530) 4.381 3.775 ( 2.176 -8.713 -3.246) 9.550 4.094 ( -12.151 -0.054 -1.422) 12.234 4.339 ( -6.972 1.621 5.246) 8.875 4.690 ( 18.305 14.272 3.827) 23.525 5.202 ( 15.000 1.575 1.637) 15.171 5.713 ( -2.609 8.385 3.709) 9.533 6.323 ( -3.834 -14.407 -10.117) 18.017 6.465 ( -6.232 -6.767 0.733) 9.228 7.097 ( 3.573 -5.819 9.283) 11.524 7.324 ( -1.844 -2.494 7.059) 7.710 7.668 ( -12.078 5.671 2.171) 13.519 8.484 ( 4.664 2.259 21.511) 22.126 8.850 ( -0.095 4.702 -12.987) 13.812 9.490 ( 13.739 8.457 1.914) 16.247 10.800 ( -11.245 -8.400 -5.561) 15.098 12.323 ( 1.826 3.441 2.597) 4.681 12.882 ( -7.349 -8.805 -0.146) 11.470 13.913 ( -1.767 1.025 -0.189) 2.052 14.105 ( -4.081 -2.415 -2.664) 5.439 14.623 ( 12.119 -4.080 -0.838) 12.815 14.989 ( -0.064 8.790 2.079) 9.033 16.172 ( 3.360 7.381 1.786) 8.305 16.576 ( 3.312 6.082 0.405) 6.938 17.701 ( -4.925 -4.598 14.214) 15.730 18.138 ( -10.999 -3.461 -10.838) 15.825 20.047 ( 1.788 -0.724 -1.765) 2.614 20.112 ( 3.049 -3.011 -2.984) 5.222 ======================= Grid point 16 (11/146) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 12.189 4.656 6.613) 14.628 2.754 ( 8.708 11.169 -0.080) 14.163 2.998 ( 2.034 -3.097 2.987) 4.759 3.669 ( -14.902 -10.289 0.285) 18.111 3.827 ( -0.913 1.075 -2.070) 2.505 4.153 ( -10.539 -2.715 1.550) 10.993 5.182 ( 19.088 8.280 -0.281) 20.808 5.545 ( 12.447 -0.528 4.054) 13.101 5.765 ( -0.037 4.594 -5.157) 6.906 6.060 ( -1.238 -13.352 -2.195) 13.588 6.409 ( 1.593 6.807 0.498) 7.009 7.076 ( -7.506 -8.152 7.829) 13.568 7.339 ( -0.672 0.265 5.855) 5.900 7.468 ( -13.026 3.344 -1.741) 13.560 8.726 ( 3.666 2.841 10.948) 11.890 8.774 ( -2.165 3.111 -5.469) 6.654 9.840 ( 15.884 7.518 2.215) 17.712 10.470 ( -12.807 -8.359 -6.001) 16.429 12.406 ( 3.140 2.506 1.450) 4.271 12.678 ( -6.881 -7.328 0.919) 10.094 13.887 ( -1.290 0.170 1.370) 1.889 13.967 ( -5.189 -3.195 -2.155) 6.464 14.838 ( 12.888 0.973 -2.149) 13.102 15.066 ( -0.326 3.285 1.235) 3.525 16.317 ( 4.327 7.184 0.419) 8.397 16.627 ( -4.787 1.989 6.102) 8.006 17.708 ( -0.273 -0.179 10.232) 10.237 17.858 ( -9.526 -2.194 -10.745) 14.526 20.063 ( 2.428 -0.956 -2.066) 3.329 20.108 ( 1.737 -2.751 -1.796) 3.717 ======================= Grid point 17 (12/146) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -5.970 -5.223 -4.184) 8.968 2.814 ( 6.068 0.750 4.551) 7.622 3.231 ( -13.087 -7.172 -0.046) 14.923 3.255 ( 10.288 7.569 2.170) 12.955 3.935 ( 0.793 2.297 -1.750) 2.994 3.980 ( -2.152 0.900 2.895) 3.718 5.458 ( -4.307 -13.720 -4.605) 15.100 5.531 ( 9.183 1.328 2.742) 9.675 5.789 ( 7.713 0.996 -11.447) 13.839 6.019 ( -0.626 -2.944 11.070) 11.472 6.638 ( 7.443 8.319 -7.233) 13.301 6.753 ( -18.797 -3.669 4.195) 19.606 7.302 ( -2.321 -1.173 -5.298) 5.902 7.423 ( -0.372 4.758 6.720) 8.243 8.605 ( -4.622 -0.357 -14.423) 15.150 8.960 ( 1.156 3.467 19.761) 20.096 10.114 ( -11.703 -7.770 -6.679) 15.555 10.211 ( 14.062 6.405 3.639) 15.875 12.500 ( 1.310 -1.358 -0.569) 1.971 12.530 ( -0.878 -1.233 2.398) 2.836 13.863 ( -1.253 -1.486 -2.484) 3.154 13.916 ( 1.547 1.647 2.841) 3.630 14.952 ( -0.105 -0.188 -7.868) 7.871 15.079 ( 1.414 -2.025 5.004) 5.581 16.455 ( 2.865 4.260 -1.169) 5.265 16.546 ( -8.719 1.175 7.797) 11.755 17.625 ( -5.624 -1.119 -11.465) 12.819 17.844 ( 4.132 4.280 10.677) 12.222 20.084 ( 2.885 -1.262 -2.179) 3.829 20.095 ( 0.768 -2.239 -0.933) 2.544 ======================= Grid point 18 (13/146) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -13.329 -8.271 -4.253) 16.252 2.775 ( -16.260 -5.106 1.245) 17.089 2.970 ( 0.664 -4.424 0.291) 4.483 3.619 ( 13.777 6.699 -4.800) 16.053 3.889 ( 3.823 0.383 4.198) 5.691 4.154 ( 5.441 9.736 1.108) 11.208 5.157 ( -15.433 -11.256 -0.192) 19.102 5.444 ( -5.633 -12.650 -6.203) 15.173 5.891 ( -14.902 1.107 6.250) 16.197 6.100 ( 16.445 3.085 0.012) 16.732 6.415 ( -3.995 0.390 2.588) 4.776 6.847 ( 7.552 3.851 -12.998) 15.518 7.197 ( -0.304 -5.990 -10.247) 11.873 7.562 ( 1.481 10.444 6.390) 12.333 8.421 ( -6.149 -2.658 -8.498) 10.821 9.089 ( -3.214 2.316 15.930) 16.415 9.759 ( -14.019 -7.683 -6.371) 17.209 10.562 ( 15.023 5.949 3.709) 16.578 12.396 ( -4.237 -3.497 0.627) 5.529 12.675 ( 8.816 3.521 0.314) 9.499 13.858 ( 2.630 0.482 -1.283) 2.966 14.015 ( 4.817 2.783 2.560) 6.124 14.787 ( -5.691 -7.956 -7.290) 12.199 15.083 ( -5.264 1.281 3.160) 6.272 16.341 ( -10.241 -2.724 3.126) 11.049 16.615 ( 1.927 4.715 4.018) 6.488 17.484 ( -1.778 0.154 -11.269) 11.410 18.065 ( 7.315 5.923 9.566) 13.420 20.079 ( 0.142 -1.629 -0.369) 1.676 20.108 ( 3.007 -1.563 -2.006) 3.938 ======================= Grid point 19 (14/146) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -19.016 -8.144 -4.553) 21.182 2.365 ( -23.639 -7.606 0.132) 24.833 2.985 ( 4.038 -0.513 -1.280) 4.267 3.766 ( 8.526 -4.651 -4.904) 10.880 4.115 ( 8.114 8.822 2.629) 12.271 4.297 ( -8.321 6.208 -0.128) 10.383 4.598 ( -25.201 -8.899 -3.413) 26.944 5.241 ( 1.460 -13.538 3.162) 13.979 5.696 ( -11.263 7.326 3.239) 13.821 6.377 ( 9.753 1.034 -0.647) 9.829 6.553 ( 8.293 5.781 6.030) 11.771 6.888 ( 7.302 -3.504 -11.085) 13.729 7.069 ( 4.799 -4.625 -18.043) 19.235 7.691 ( -2.339 7.851 3.301) 8.832 8.229 ( -8.443 -3.146 -3.454) 9.649 9.098 ( -7.367 0.086 11.516) 13.671 9.412 ( -13.401 -5.704 -6.091) 15.787 10.883 ( 13.436 4.454 3.010) 14.472 12.298 ( -4.421 -2.145 0.184) 4.918 12.885 ( 10.930 3.746 -0.103) 11.555 13.920 ( 2.102 1.294 0.569) 2.534 14.143 ( 5.233 1.141 1.344) 5.522 14.581 ( -1.630 -7.606 -5.929) 9.780 14.974 ( -10.312 2.793 2.133) 10.894 16.164 ( -8.984 -2.356 1.659) 9.434 16.700 ( -0.895 1.683 10.370) 10.543 17.404 ( 0.916 0.720 -14.497) 14.544 18.317 ( 8.650 5.414 7.329) 12.564 20.064 ( -0.218 -0.975 -0.050) 1.001 20.130 ( 2.722 -1.748 -1.509) 3.570 ======================= Grid point 20 (15/146) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -24.620 -6.000 -3.791) 25.623 1.827 ( -29.456 -6.530 -1.602) 30.213 3.079 ( 5.948 0.492 -0.337) 5.978 3.371 ( -50.372 -8.226 -5.346) 51.319 3.974 ( 4.606 -4.865 -1.285) 6.822 4.353 ( 5.296 7.919 3.843) 10.272 4.547 ( 5.779 0.903 -5.691) 8.161 5.250 ( 6.551 -6.318 5.496) 10.632 5.687 ( -4.693 9.859 6.108) 12.512 6.502 ( 4.566 0.260 1.601) 4.845 6.650 ( -1.091 1.505 -7.338) 7.570 6.906 ( 8.342 -7.503 -7.560) 13.530 7.171 ( 17.994 2.008 -8.510) 20.006 7.662 ( -7.854 1.879 1.067) 8.146 8.022 ( -11.377 -0.824 -1.838) 11.554 8.992 ( -9.278 -2.804 5.316) 11.055 9.127 ( -11.717 -1.377 -3.228) 12.232 11.144 ( 11.059 2.398 1.528) 11.419 12.203 ( -4.856 -1.027 0.006) 4.964 13.107 ( 10.886 2.559 -0.255) 11.186 13.892 ( -5.480 -1.909 0.363) 5.814 14.209 ( -0.179 0.111 1.642) 1.656 14.563 ( 7.754 -1.852 -3.197) 8.589 14.887 ( -2.306 3.286 1.025) 4.144 16.002 ( -8.839 -1.510 0.707) 8.995 16.773 ( -2.372 0.127 20.416) 20.553 17.314 ( 0.746 0.262 -21.292) 21.307 18.549 ( 8.530 3.358 4.034) 10.016 20.052 ( -0.402 -0.412 0.041) 0.577 20.148 ( 2.113 -1.396 -0.630) 2.610 ======================= Grid point 21 (16/146) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -29.080 0.000 0.000) 29.080 1.234 ( -33.820 0.000 0.000) 33.820 2.269 ( -63.270 0.000 0.000) 63.270 3.215 ( 6.358 -0.000 -0.000) 6.358 4.049 ( 5.767 -0.000 -0.000) 5.767 4.483 ( 2.206 -0.000 -0.000) 2.206 4.627 ( 6.493 -0.000 -0.000) 6.493 5.379 ( 9.431 -0.000 -0.000) 9.431 5.712 ( -4.042 0.000 0.000) 4.042 6.529 ( -1.317 0.000 0.000) 1.317 6.659 ( 5.734 -0.000 -0.000) 5.734 6.929 ( 3.636 -0.000 -0.000) 3.636 7.467 ( 13.515 -0.000 -0.000) 13.515 7.524 ( -5.643 0.000 0.000) 5.643 7.803 ( -12.105 0.000 0.000) 12.105 8.840 ( -7.318 0.000 0.000) 7.318 8.922 ( -10.778 0.000 0.000) 10.778 11.325 ( 7.930 -0.000 -0.000) 7.930 12.116 ( -4.488 0.000 0.000) 4.488 13.292 ( 8.965 -0.000 -0.000) 8.965 13.769 ( -6.175 0.000 0.000) 6.175 14.135 ( -7.987 0.000 0.000) 7.987 14.722 ( 11.279 -0.000 -0.000) 11.279 14.978 ( 8.703 -0.000 -0.000) 8.703 15.833 ( -10.159 0.000 0.000) 10.159 16.886 ( 1.472 -0.000 -0.000) 1.472 17.165 ( -3.863 0.000 0.000) 3.863 18.715 ( 6.908 -0.000 -0.000) 6.908 20.042 ( -0.455 0.000 0.000) 0.455 20.169 ( 1.380 -0.000 -0.000) 1.380 ======================= Grid point 24 (17/146) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -0.000 21.824 17.936) 28.248 1.629 ( -0.000 28.842 14.515) 32.288 2.908 ( -0.000 49.249 22.597) 54.186 3.173 ( -0.000 -6.223 -0.194) 6.226 3.892 ( 0.000 -10.813 -7.081) 12.925 4.500 ( 0.000 -2.863 -1.683) 3.321 4.597 ( -0.000 -1.152 4.632) 4.774 5.387 ( -0.000 -8.574 -1.015) 8.633 5.841 ( 0.000 4.978 -1.074) 5.092 6.437 ( 0.000 -5.591 -4.684) 7.293 6.706 ( -0.000 -0.395 5.233) 5.248 7.132 ( 0.000 -15.223 -5.076) 16.047 7.352 ( -0.000 -13.512 24.338) 27.837 7.626 ( 0.000 5.486 -0.054) 5.487 8.293 ( -0.000 -5.247 25.714) 26.244 8.860 ( 0.000 4.224 0.658) 4.275 9.008 ( 0.000 11.260 0.142) 11.260 11.245 ( 0.000 -8.134 -2.994) 8.668 12.255 ( -0.000 6.748 6.688) 9.501 13.097 ( 0.000 -5.695 -6.930) 8.970 13.837 ( -0.000 2.693 1.364) 3.019 14.164 ( 0.000 6.566 -2.438) 7.004 14.487 ( 0.000 -5.376 -8.299) 9.888 15.100 ( -0.000 -5.295 5.150) 7.386 16.039 ( 0.000 20.670 -23.810) 31.530 16.080 ( -0.000 14.105 12.416) 18.791 17.928 ( -0.000 -15.883 20.976) 26.311 18.683 ( 0.000 -5.139 -2.644) 5.779 19.936 ( 0.000 -2.577 -9.449) 9.794 20.024 ( 0.000 -0.435 -1.287) 1.359 ======================= Grid point 25 (18/146) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 6.016 18.235 15.589) 24.733 2.026 ( 4.061 24.654 11.751) 27.611 3.094 ( -2.032 -5.381 1.207) 5.877 3.597 ( 11.582 18.033 11.526) 24.335 3.808 ( 5.746 13.695 -3.682) 15.301 4.440 ( -3.791 -1.283 0.928) 4.108 4.635 ( 3.036 -4.414 5.071) 7.377 5.191 ( -10.058 -6.768 -2.721) 12.425 5.843 ( -3.314 5.144 -0.175) 6.121 6.329 ( 3.038 -13.845 -11.928) 18.525 6.678 ( -5.168 -8.023 2.962) 9.993 6.965 ( 0.673 -7.970 6.809) 10.504 7.375 ( -0.847 -9.123 14.572) 17.213 7.789 ( 6.373 8.636 6.589) 12.594 8.398 ( -0.929 -0.126 17.896) 17.921 8.883 ( -2.125 5.857 -2.365) 6.665 9.158 ( 5.208 9.729 -1.344) 11.117 11.095 ( -5.060 -8.723 -3.677) 10.734 12.348 ( -2.522 7.215 7.283) 10.557 13.003 ( 0.695 -9.418 -4.092) 10.292 13.878 ( 2.500 2.586 -0.113) 3.599 14.164 ( -2.658 3.264 -4.297) 6.015 14.435 ( 2.748 -6.630 -1.747) 7.386 15.055 ( -3.499 1.623 1.687) 4.210 16.103 ( 1.297 12.725 -8.298) 15.247 16.370 ( 5.698 14.411 8.864) 17.853 17.874 ( -3.499 -10.974 15.100) 18.992 18.524 ( -9.285 -4.282 -4.869) 11.325 19.907 ( 6.346 -4.446 -7.901) 11.067 20.013 ( 0.840 -1.045 -2.035) 2.437 ======================= Grid point 26 (19/146) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 5.833 13.448 12.689) 19.388 2.396 ( 7.542 17.866 6.733) 20.529 3.028 ( -1.757 -4.008 3.115) 5.372 3.626 ( 3.491 -7.126 -2.375) 8.282 4.240 ( -3.538 4.732 -3.025) 6.638 4.461 ( 5.369 10.511 4.261) 12.549 4.634 ( -1.283 1.073 4.166) 4.489 5.052 ( 5.599 0.695 2.988) 6.385 5.851 ( -2.552 5.170 -1.148) 5.879 6.077 ( 0.433 -20.516 -15.437) 25.678 6.523 ( -5.608 -4.671 5.786) 9.313 7.024 ( 4.119 -5.191 8.155) 10.508 7.363 ( -1.171 -3.785 9.507) 10.299 7.965 ( -5.734 9.985 7.584) 13.787 8.527 ( 4.886 -0.122 15.957) 16.689 8.871 ( -3.036 5.597 -5.710) 8.552 9.361 ( 10.071 7.640 -2.675) 12.921 10.858 ( -9.139 -8.421 -4.586) 13.247 12.408 ( -3.110 5.806 6.281) 9.102 12.863 ( -2.757 -10.731 -1.719) 11.212 13.949 ( 0.933 1.309 -0.038) 1.608 14.116 ( -1.616 -0.759 -2.749) 3.278 14.419 ( 5.096 -4.095 -0.007) 6.538 15.068 ( -0.367 6.386 -1.402) 6.548 16.209 ( 2.786 8.054 -2.406) 8.855 16.643 ( 2.539 12.057 11.153) 16.620 17.803 ( -3.827 -6.857 10.830) 13.378 18.253 ( -12.462 -2.744 -7.609) 14.857 19.935 ( 6.874 -4.826 -5.539) 10.061 20.007 ( 1.972 -1.833 -2.772) 3.864 ======================= Grid point 27 (20/146) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 5.312 7.901 8.171) 12.546 2.731 ( 9.070 13.384 3.353) 16.511 2.975 ( -1.741 -5.118 3.934) 6.686 3.657 ( 4.265 -1.582 0.211) 4.554 3.986 ( -15.595 -5.816 -1.818) 16.743 4.325 ( -12.159 -3.527 0.678) 12.678 4.897 ( 17.453 2.614 -3.362) 17.965 5.353 ( 11.048 -0.259 0.294) 11.055 5.702 ( 2.940 -10.273 -8.608) 13.721 5.988 ( 0.358 4.336 1.450) 4.586 6.474 ( -2.096 1.895 4.187) 5.052 7.052 ( 1.117 -5.972 2.620) 6.616 7.397 ( 0.204 -0.961 10.285) 10.331 7.855 ( -19.946 7.281 4.439) 21.692 8.710 ( 1.618 3.794 -5.397) 6.793 8.862 ( 1.478 1.985 13.447) 13.673 9.630 ( 15.653 5.714 -3.058) 16.942 10.566 ( -11.756 -7.485 -4.968) 14.795 12.443 ( -2.104 3.682 4.333) 6.063 12.695 ( -4.169 -9.068 0.188) 9.983 13.927 ( -2.256 -0.840 0.667) 2.498 14.016 ( -5.391 -3.280 -1.225) 6.429 14.597 ( 14.668 2.228 -0.534) 14.845 15.105 ( -0.909 3.580 -2.571) 4.500 16.324 ( 3.571 6.071 -0.586) 7.068 16.812 ( -4.125 7.729 12.666) 15.401 17.762 ( -1.730 -2.015 4.637) 5.343 17.973 ( -11.422 -1.037 -5.719) 12.815 19.967 ( 5.060 -3.635 -3.802) 7.299 20.009 ( 3.260 -2.863 -2.965) 5.255 ======================= Grid point 28 (21/146) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 4.039 1.947 2.222) 5.004 2.811 ( -4.594 -3.151 1.736) 5.835 3.131 ( 12.609 9.804 4.217) 16.519 3.462 ( -17.757 -8.482 -0.093) 19.679 3.922 ( 4.812 7.274 1.142) 8.796 4.083 ( -10.152 -5.316 -0.055) 11.460 5.172 ( 8.496 -17.185 -13.991) 23.733 5.261 ( 16.500 -5.745 -0.021) 17.472 5.794 ( -1.239 4.932 -0.846) 5.156 6.073 ( 2.018 4.160 8.877) 10.009 6.543 ( 4.605 4.230 -3.256) 7.050 6.964 ( -6.878 -5.460 0.099) 8.782 7.450 ( -7.014 2.345 5.187) 9.033 7.576 ( -14.307 5.377 4.348) 15.891 8.600 ( -4.879 0.928 -13.121) 14.029 9.085 ( 3.749 3.223 19.418) 20.037 9.956 ( 17.321 3.478 -2.883) 17.901 10.257 ( -12.079 -5.441 -3.497) 13.701 12.470 ( 0.139 0.600 1.116) 1.274 12.563 ( -3.196 -4.561 2.634) 6.161 13.860 ( -2.914 -2.428 -2.850) 4.744 13.940 ( -0.806 0.271 2.837) 2.961 14.861 ( 10.460 3.798 -2.321) 11.368 15.057 ( -2.508 -2.710 -1.149) 3.867 16.440 ( 3.720 4.816 -0.716) 6.128 16.807 ( -11.085 2.869 11.432) 16.181 17.658 ( -7.031 0.082 -10.921) 12.989 17.903 ( 0.959 3.312 9.043) 9.678 19.989 ( 3.876 -2.594 -3.248) 5.684 20.022 ( 3.406 -2.994 -1.997) 4.956 ======================= Grid point 29 (22/146) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -11.036 -4.785 -0.852) 12.059 2.827 ( 2.825 -2.449 -1.002) 3.871 3.085 ( -15.838 -5.103 3.450) 16.993 3.471 ( 9.423 8.640 -1.441) 12.865 3.869 ( -1.914 -3.376 0.275) 3.891 4.166 ( 6.755 10.324 3.237) 12.755 4.982 ( 7.322 -20.795 -7.886) 23.414 5.541 ( -2.346 -1.697 0.899) 3.032 5.764 ( 10.675 3.457 -2.569) 11.512 6.200 ( -3.325 3.408 11.461) 12.411 6.563 ( -4.521 -1.411 -6.930) 8.393 6.739 ( -6.801 -1.986 -0.764) 7.126 7.188 ( -13.208 -0.585 -8.882) 15.927 7.670 ( 2.471 8.521 6.601) 11.058 8.444 ( -4.795 -1.979 -6.840) 8.585 9.258 ( -0.554 3.417 14.419) 14.829 9.882 ( -13.000 -5.943 -6.806) 15.832 10.354 ( 16.613 3.842 1.979) 17.166 12.422 ( -2.624 -3.504 0.121) 4.379 12.592 ( 4.475 1.854 2.247) 5.340 13.804 ( 1.089 -1.070 -2.284) 2.747 13.989 ( 2.826 1.609 2.417) 4.052 14.817 ( -8.640 -3.399 -5.050) 10.569 15.108 ( 5.183 0.401 1.840) 5.515 16.489 ( -4.164 0.697 0.224) 4.228 16.711 ( -6.461 2.957 7.238) 10.143 17.484 ( -5.307 0.305 -8.689) 10.186 18.066 ( 5.456 5.056 7.478) 10.547 20.010 ( 3.789 -2.339 -2.663) 5.188 20.038 ( 2.302 -1.834 -0.926) 3.085 ======================= Grid point 30 (23/146) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -16.427 -3.568 -1.008) 16.840 2.681 ( -17.039 -3.563 -0.207) 17.409 2.917 ( -0.347 -1.302 0.281) 1.377 3.578 ( 5.674 -1.119 -3.413) 6.715 4.002 ( 11.344 3.440 1.632) 11.966 4.386 ( 3.675 9.950 1.392) 10.698 4.932 ( 4.953 -12.297 2.731) 13.535 5.170 ( -25.995 -4.115 -5.211) 26.830 5.986 ( -12.457 1.061 1.783) 12.628 6.187 ( 15.604 3.480 2.312) 16.154 6.531 ( 2.586 2.419 10.623) 11.198 6.715 ( 4.865 -1.822 -7.994) 9.534 6.903 ( -8.140 -4.351 -14.490) 17.180 7.808 ( 0.213 6.128 2.511) 6.626 8.308 ( -5.590 -2.396 -1.398) 6.240 9.314 ( -5.921 2.638 10.380) 12.238 9.546 ( -13.978 -4.522 -6.983) 16.267 10.679 ( 15.734 2.212 1.400) 15.950 12.347 ( -3.311 -1.609 0.195) 3.686 12.739 ( 9.030 1.675 0.658) 9.208 13.851 ( 5.663 0.303 -0.834) 5.732 14.079 ( 4.028 0.911 0.992) 4.247 14.588 ( -8.796 -3.868 -2.842) 10.020 15.139 ( -3.970 1.056 0.997) 4.227 16.329 ( -11.154 -1.108 1.091) 11.262 16.755 ( 1.694 2.202 4.242) 5.071 17.366 ( -3.446 0.135 -6.145) 7.047 18.261 ( 7.442 3.338 4.131) 9.143 20.038 ( 2.762 -1.483 -1.048) 3.306 20.055 ( 1.969 -0.797 -0.707) 2.239 ======================= Grid point 31 (24/146) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -21.170 0.000 0.000) 21.170 2.275 ( -26.059 0.000 0.000) 26.059 2.970 ( 5.803 -0.000 -0.000) 5.803 3.671 ( 5.431 -0.000 -0.000) 5.431 4.228 ( 9.645 -0.000 -0.000) 9.645 4.373 ( -43.853 0.000 0.000) 43.853 4.486 ( 1.505 -0.000 -0.000) 1.505 5.111 ( 8.351 -0.000 -0.000) 8.351 5.821 ( -5.463 0.000 0.000) 5.463 6.472 ( 8.403 -0.000 -0.000) 8.403 6.637 ( -7.191 0.000 0.000) 7.191 6.741 ( 7.973 -0.000 -0.000) 7.973 6.818 ( 15.438 -0.000 -0.000) 15.438 7.803 ( -5.270 0.000 0.000) 5.270 8.178 ( -7.881 0.000 0.000) 7.881 9.206 ( -13.698 0.000 0.000) 13.698 9.282 ( -8.910 0.000 0.000) 8.910 10.948 ( 13.587 -0.000 -0.000) 13.587 12.276 ( -4.190 0.000 0.000) 4.190 12.927 ( 11.133 -0.000 -0.000) 11.133 13.941 ( 1.607 -0.000 -0.000) 1.607 14.145 ( 4.223 -0.000 -0.000) 4.223 14.474 ( -0.089 0.000 0.000) 0.089 15.022 ( -9.263 0.000 0.000) 9.263 16.150 ( -9.268 0.000 0.000) 9.268 16.824 ( 2.415 -0.000 -0.000) 2.415 17.284 ( -3.279 0.000 0.000) 3.279 18.431 ( 8.592 -0.000 -0.000) 8.592 20.051 ( 0.272 -0.000 -0.000) 0.272 20.093 ( 2.976 -0.000 -0.000) 2.976 ======================= Grid point 36 (25/146) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -0.000 15.845 11.953) 19.848 2.344 ( -0.000 24.597 12.933) 27.790 3.073 ( -0.000 -4.222 2.459) 4.886 3.546 ( -0.000 -8.224 -1.283) 8.324 4.041 ( 0.000 32.459 2.239) 32.536 4.507 ( -0.000 5.962 6.999) 9.195 4.566 ( -0.000 -8.615 3.717) 9.382 5.193 ( 0.000 -6.905 -6.179) 9.266 5.887 ( 0.000 2.538 -2.650) 3.669 6.032 ( 0.000 -20.687 -15.896) 26.089 6.712 ( -0.000 -6.095 6.103) 8.625 6.922 ( -0.000 -3.924 6.939) 7.972 7.425 ( -0.000 -10.707 22.956) 25.330 7.820 ( -0.000 9.799 3.912) 10.551 8.536 ( -0.000 4.461 11.884) 12.694 8.952 ( 0.000 5.153 -1.151) 5.280 9.181 ( 0.000 7.840 -4.446) 9.013 11.033 ( 0.000 -8.632 -2.902) 9.106 12.514 ( -0.000 7.988 9.898) 12.719 12.872 ( 0.000 -9.578 -3.749) 10.286 13.837 ( 0.000 -2.336 -2.188) 3.201 14.199 ( 0.000 0.731 -3.247) 3.328 14.369 ( 0.000 -0.182 -0.254) 0.313 15.101 ( -0.000 1.036 0.441) 1.126 16.133 ( 0.000 12.075 -12.183) 17.153 16.582 ( -0.000 15.318 18.758) 24.218 17.881 ( -0.000 -9.234 10.470) 13.960 18.541 ( 0.000 -5.199 -3.082) 6.044 19.741 ( 0.000 -4.650 -8.757) 9.915 19.975 ( 0.000 -1.878 -2.748) 3.328 ======================= Grid point 37 (26/146) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 4.954 11.134 7.739) 14.437 2.621 ( -2.493 19.739 10.634) 22.560 3.052 ( -1.866 -1.497 4.698) 5.272 3.494 ( 3.327 -5.268 -0.317) 6.239 4.269 ( 2.313 5.129 -4.138) 6.984 4.451 ( -1.173 -6.842 0.349) 6.951 4.771 ( 1.402 16.528 7.720) 18.296 5.021 ( -1.590 -3.850 -3.825) 5.656 5.684 ( -1.719 -22.816 -18.162) 29.213 5.940 ( 3.549 3.658 -0.577) 5.129 6.628 ( -5.420 -4.796 6.549) 9.761 6.987 ( 1.701 -1.276 9.469) 9.705 7.431 ( -2.710 -5.457 14.709) 15.921 8.064 ( 9.589 8.367 9.080) 15.634 8.614 ( -3.297 4.194 8.735) 10.235 8.958 ( -3.546 4.379 -1.962) 5.966 9.258 ( 5.770 5.011 -7.076) 10.415 10.884 ( -5.641 -7.546 -2.808) 9.831 12.604 ( -5.301 6.757 9.179) 12.570 12.763 ( 0.298 -9.800 -1.935) 9.993 13.853 ( 6.408 -2.788 -1.907) 7.243 14.143 ( -3.069 -0.630 -2.818) 4.214 14.378 ( -0.707 0.580 1.566) 1.813 15.113 ( -0.192 3.862 -2.185) 4.441 16.199 ( 3.056 7.819 -6.818) 10.815 16.859 ( 0.067 14.417 18.219) 23.234 17.841 ( -1.854 -6.482 7.182) 9.851 18.381 ( -9.477 -3.817 -4.320) 11.092 19.710 ( 7.261 -5.064 -7.036) 11.308 19.941 ( 0.949 -2.543 -3.330) 4.296 ======================= Grid point 38 (27/146) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 5.336 6.040 4.604) 9.282 2.820 ( -0.119 15.142 7.887) 17.073 3.018 ( -4.416 -1.521 5.024) 6.860 3.568 ( 6.237 0.677 2.618) 6.798 4.128 ( -10.000 -7.286 -3.240) 12.790 4.458 ( -0.473 -0.914 -2.491) 2.695 4.679 ( -0.805 -4.919 -2.598) 5.621 5.139 ( 0.453 -14.027 -11.479) 18.131 5.465 ( 12.443 1.812 -2.561) 12.832 6.057 ( 2.038 7.463 1.623) 7.905 6.559 ( -3.240 -1.717 5.249) 6.403 7.034 ( -0.844 -1.342 6.436) 6.628 7.448 ( -0.228 -1.938 10.505) 10.684 8.242 ( -9.219 8.300 5.810) 13.698 8.695 ( 2.946 4.168 3.392) 6.128 8.921 ( -0.889 -0.160 5.854) 5.923 9.393 ( 11.858 3.268 -9.252) 15.392 10.662 ( -9.946 -5.819 -2.959) 11.897 12.591 ( -5.535 0.536 4.537) 7.177 12.665 ( -2.830 -4.293 1.778) 5.440 13.913 ( 2.776 -3.589 -0.038) 4.537 14.062 ( -3.503 -1.649 -1.873) 4.301 14.431 ( 6.312 3.308 0.977) 7.193 15.135 ( -0.428 3.648 -3.347) 4.969 16.295 ( 4.392 4.539 -2.607) 6.833 17.070 ( -3.846 10.191 15.921) 19.290 17.795 ( -1.944 -2.304 2.613) 3.989 18.131 ( -11.610 -1.853 -3.790) 12.352 19.770 ( 8.896 -4.454 -4.673) 10.992 19.917 ( 2.007 -2.888 -3.426) 4.910 ======================= Grid point 39 (28/146) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 2.160 1.923 2.349) 3.726 2.912 ( -7.315 0.438 4.289) 8.491 3.076 ( 7.435 9.283 4.419) 12.688 3.633 ( -6.220 -1.887 2.270) 6.885 3.940 ( -0.011 2.834 0.034) 2.834 4.235 ( -15.072 -5.075 -1.475) 15.972 4.771 ( 6.813 -15.348 -14.256) 22.028 4.892 ( 15.163 -9.989 -2.657) 18.351 5.766 ( 10.570 5.102 0.381) 11.743 6.155 ( -0.327 6.633 3.865) 7.684 6.537 ( -1.249 -0.718 1.846) 2.342 7.014 ( -3.870 0.350 0.528) 3.922 7.524 ( 2.329 0.155 9.323) 9.611 8.032 ( -23.307 4.829 3.411) 24.045 8.632 ( -6.942 2.082 -11.027) 13.195 9.125 ( 8.360 0.538 18.440) 20.254 9.628 ( 19.085 2.044 -8.364) 20.937 10.402 ( -12.228 -3.849 -2.372) 13.037 12.507 ( -3.359 -3.389 0.520) 4.800 12.609 ( -4.028 0.440 3.959) 5.664 13.872 ( -2.615 -2.701 -1.548) 4.066 13.981 ( -2.648 -0.906 1.104) 3.008 14.664 ( 14.098 3.620 0.212) 14.557 15.098 ( -4.189 0.268 -2.923) 5.115 16.402 ( 4.747 2.970 -0.805) 5.657 17.106 ( -10.406 3.557 11.869) 16.180 17.721 ( -6.301 1.263 -7.489) 9.869 17.986 ( -2.672 1.126 4.934) 5.723 19.849 ( 7.038 -2.946 -2.962) 8.184 19.914 ( 3.425 -2.669 -2.562) 5.042 ======================= Grid point 40 (29/146) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -4.318 -0.984 0.385) 4.445 2.806 ( -5.041 -1.028 1.276) 5.301 3.236 ( -1.202 -0.944 -1.035) 1.846 3.525 ( -5.184 8.760 6.294) 11.967 3.900 ( -9.737 -6.743 -4.031) 12.511 4.156 ( 9.953 9.848 4.458) 14.694 4.576 ( 6.402 -18.814 -10.421) 22.440 5.245 ( 24.258 -0.679 0.953) 24.286 5.841 ( -5.085 1.473 -1.011) 5.390 6.274 ( 4.901 3.875 4.381) 7.631 6.507 ( -1.380 -1.476 -1.402) 2.459 6.898 ( -9.104 -0.989 -1.096) 9.223 7.517 ( -19.405 1.050 0.202) 19.435 7.751 ( -4.800 3.854 4.330) 7.526 8.470 ( -5.283 -0.744 -5.751) 7.844 9.334 ( 3.862 1.625 9.449) 10.336 9.903 ( 9.209 -0.885 -4.894) 10.466 10.194 ( -2.086 -0.346 0.183) 2.122 12.433 ( -2.222 -1.991 0.010) 2.983 12.589 ( -0.854 0.644 2.111) 2.367 13.790 ( -2.285 -1.137 -1.478) 2.949 13.977 ( 1.060 0.248 1.343) 1.728 14.903 ( 2.065 2.520 -1.806) 3.725 14.987 ( 1.675 -2.420 0.068) 2.944 16.495 ( 3.318 1.553 -0.310) 3.677 16.965 ( -13.737 0.620 5.878) 14.954 17.553 ( -7.459 0.638 -5.531) 9.308 18.066 ( 3.682 2.601 4.201) 6.162 19.905 ( 4.325 -1.587 -1.851) 4.965 19.956 ( 4.551 -1.362 -0.852) 4.826 ======================= Grid point 41 (30/146) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -13.103 0.000 0.000) 13.103 2.768 ( -0.215 0.000 0.000) 0.215 3.079 ( -13.323 0.000 0.000) 13.323 3.529 ( -1.997 0.000 0.000) 1.997 3.850 ( 7.635 -0.000 -0.000) 7.635 4.416 ( 1.805 -0.000 -0.000) 1.805 4.584 ( 18.330 -0.000 -0.000) 18.330 5.526 ( -7.467 0.000 0.000) 7.467 5.793 ( 14.377 -0.000 -0.000) 14.377 6.327 ( -10.097 0.000 0.000) 10.097 6.496 ( 6.149 -0.000 -0.000) 6.149 6.708 ( -9.218 0.000 0.000) 9.218 7.103 ( -21.397 0.000 0.000) 21.397 7.819 ( 3.006 -0.000 -0.000) 3.006 8.369 ( -4.132 0.000 0.000) 4.132 9.412 ( 0.210 -0.000 -0.000) 0.210 9.754 ( -14.523 0.000 0.000) 14.523 10.407 ( 17.321 -0.000 -0.000) 17.321 12.386 ( -2.301 0.000 0.000) 2.301 12.630 ( 4.542 -0.000 -0.000) 4.542 13.776 ( 2.047 -0.000 -0.000) 2.047 14.024 ( 3.289 -0.000 -0.000) 3.289 14.743 ( -11.352 0.000 0.000) 11.352 15.127 ( 6.042 -0.000 -0.000) 6.042 16.497 ( -5.739 0.000 0.000) 5.739 16.794 ( -5.910 0.000 0.000) 5.910 17.427 ( -5.520 0.000 0.000) 5.520 18.177 ( 5.786 -0.000 -0.000) 5.786 19.961 ( 3.987 -0.000 -0.000) 3.987 20.012 ( 2.872 -0.000 -0.000) 2.872 ======================= Grid point 48 (31/146) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -0.000 7.211 3.057) 7.832 2.884 ( -0.000 13.060 8.312) 15.481 3.143 ( -0.000 6.638 8.883) 11.089 3.422 ( -0.000 -3.123 2.448) 3.968 4.254 ( 0.000 2.104 -3.496) 4.080 4.360 ( 0.000 -11.807 -2.739) 12.121 4.875 ( 0.000 -14.493 -12.293) 19.004 5.004 ( -0.000 20.295 5.091) 20.923 5.428 ( 0.000 -16.817 -11.169) 20.188 5.921 ( 0.000 5.049 -0.594) 5.084 6.643 ( -0.000 -7.815 5.344) 9.467 7.075 ( -0.000 5.728 9.024) 10.688 7.502 ( -0.000 -7.482 16.403) 18.029 8.088 ( -0.000 8.304 9.324) 12.486 8.749 ( -0.000 5.650 4.603) 7.288 9.031 ( 0.000 3.878 -0.630) 3.929 9.174 ( 0.000 1.107 -10.407) 10.466 10.855 ( 0.000 -5.950 -1.501) 6.137 12.644 ( -0.000 -8.912 -1.806) 9.093 12.803 ( -0.000 7.066 10.330) 12.516 13.740 ( 0.000 -3.084 -2.421) 3.921 14.133 ( 0.000 -2.366 -3.200) 3.980 14.426 ( -0.000 2.882 2.291) 3.682 15.128 ( 0.000 2.548 -2.346) 3.463 16.198 ( 0.000 6.316 -5.957) 8.683 17.122 ( -0.000 13.555 17.837) 22.403 17.838 ( -0.000 -5.001 4.848) 6.965 18.407 ( 0.000 -3.948 -3.289) 5.138 19.546 ( 0.000 -4.356 -6.579) 7.891 19.882 ( 0.000 -2.964 -3.584) 4.651 ======================= Grid point 49 (32/146) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 4.570 3.280 0.461) 5.644 3.012 ( -1.384 7.374 7.042) 10.290 3.214 ( -8.114 8.734 8.394) 14.580 3.494 ( 6.089 1.292 4.458) 7.656 4.151 ( -5.526 -8.757 -6.347) 12.145 4.320 ( 7.107 -0.908 -3.153) 7.828 4.630 ( -1.497 -13.915 -8.285) 16.264 5.062 ( -14.135 -10.130 -7.616) 18.985 5.303 ( 10.683 6.986 -0.274) 12.767 6.065 ( 6.358 8.597 0.661) 10.713 6.590 ( -1.123 -5.981 4.233) 7.413 7.144 ( -4.098 3.752 7.534) 9.361 7.506 ( -1.756 -3.244 9.443) 10.138 8.348 ( 9.266 7.375 10.012) 15.508 8.770 ( -3.679 2.908 3.456) 5.825 9.003 ( -5.586 1.158 0.261) 5.710 9.175 ( 7.558 0.030 -11.630) 13.870 10.743 ( -6.151 -3.919 -1.164) 7.385 12.559 ( 0.125 -6.668 -0.785) 6.715 12.854 ( -7.536 4.895 7.383) 11.630 13.777 ( 7.332 -2.347 -0.751) 7.735 14.073 ( -1.734 -1.958 -2.758) 3.801 14.446 ( -1.537 2.571 1.819) 3.505 15.143 ( 0.623 2.358 -2.454) 3.460 16.247 ( 3.196 3.570 -3.073) 5.692 17.327 ( -2.685 9.526 13.986) 17.134 17.814 ( -0.910 -2.273 2.366) 3.405 18.267 ( -8.688 -2.515 -3.233) 9.606 19.547 ( 7.908 -3.408 -4.282) 9.618 19.840 ( 1.048 -2.714 -3.119) 4.265 ======================= Grid point 50 (33/146) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 5.469 0.682 0.130) 5.513 3.081 ( -2.306 1.709 6.589) 7.186 3.169 ( -8.695 7.480 1.663) 11.589 3.671 ( 6.244 4.314 6.580) 10.044 3.937 ( -3.724 -5.772 -6.936) 9.762 4.419 ( -1.226 -2.580 -1.647) 3.298 4.514 ( 7.146 -2.979 -4.581) 8.996 4.611 ( -12.435 -12.566 -4.985) 18.368 5.581 ( 14.188 2.939 -0.457) 14.496 6.230 ( 2.043 5.897 1.173) 6.350 6.551 ( -0.575 -2.689 1.813) 3.294 7.121 ( -5.410 1.774 2.814) 6.351 7.528 ( 1.550 -0.921 5.273) 5.573 8.416 ( -12.990 3.539 1.889) 13.595 8.763 ( -10.126 3.442 -3.809) 11.353 9.035 ( 13.613 -2.957 15.013) 20.480 9.278 ( 13.201 1.058 -12.531) 18.232 10.561 ( -10.449 -1.882 -0.879) 10.654 12.502 ( -0.752 -3.365 -0.102) 3.450 12.771 ( -9.084 2.106 3.314) 9.896 13.853 ( 2.416 -1.749 0.007) 2.983 14.014 ( -1.890 -0.863 -0.986) 2.300 14.508 ( 6.497 2.124 0.639) 6.865 15.143 ( -1.666 0.965 -1.621) 2.517 16.332 ( 4.963 1.470 -0.860) 5.247 17.366 ( -8.234 2.815 7.711) 11.627 17.789 ( -3.038 1.102 -1.662) 3.633 18.085 ( -6.980 -0.669 0.011) 7.012 19.660 ( 9.730 -1.817 -1.882) 10.075 19.829 ( 2.191 -1.664 -1.789) 3.282 ======================= Grid point 51 (34/146) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 1.436 -0.000 -0.000) 1.436 2.968 ( -10.934 0.000 0.000) 10.934 3.188 ( 3.685 -0.000 -0.000) 3.685 3.729 ( -7.236 0.000 0.000) 7.236 3.959 ( 9.741 -0.000 -0.000) 9.741 4.143 ( -16.606 0.000 0.000) 16.606 4.389 ( 0.430 -0.000 -0.000) 0.430 4.835 ( 22.098 -0.000 -0.000) 22.098 5.807 ( 9.195 -0.000 -0.000) 9.195 6.262 ( -0.516 0.000 0.000) 0.516 6.533 ( -1.256 0.000 0.000) 1.256 7.029 ( -7.028 0.000 0.000) 7.028 7.597 ( 3.640 -0.000 -0.000) 3.640 8.110 ( -23.881 0.000 0.000) 23.881 8.567 ( -9.329 0.000 0.000) 9.329 9.281 ( 7.192 -0.000 -0.000) 7.192 9.562 ( 22.826 -0.000 -0.000) 22.826 10.350 ( -12.081 0.000 0.000) 12.081 12.462 ( -2.065 0.000 0.000) 2.065 12.658 ( -5.790 0.000 0.000) 5.790 13.830 ( -2.893 0.000 0.000) 2.893 13.981 ( -1.016 0.000 0.000) 1.016 14.708 ( 13.796 -0.000 -0.000) 13.796 15.075 ( -6.010 0.000 0.000) 6.010 16.426 ( 5.113 -0.000 -0.000) 5.113 17.220 ( -12.459 0.000 0.000) 12.459 17.678 ( -8.280 0.000 0.000) 8.280 18.047 ( 1.052 -0.000 -0.000) 1.052 19.796 ( 7.254 -0.000 -0.000) 7.254 19.866 ( 3.905 -0.000 -0.000) 3.905 ======================= Grid point 60 (35/146) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 0.000 1.283 -0.615) 1.423 3.131 ( -0.000 5.203 5.352) 7.465 3.448 ( -0.000 0.212 2.798) 2.806 3.457 ( -0.000 7.947 7.539) 10.954 4.049 ( 0.000 -9.081 -9.954) 13.474 4.236 ( 0.000 0.019 -1.214) 1.214 4.467 ( 0.000 -9.516 -3.732) 10.222 5.123 ( 0.000 -5.256 -3.695) 6.425 5.240 ( 0.000 3.800 -1.019) 3.935 6.079 ( 0.000 7.321 0.544) 7.342 6.559 ( -0.000 -5.187 2.799) 5.894 7.270 ( -0.000 3.671 3.427) 5.022 7.546 ( -0.000 -2.815 6.066) 6.688 8.365 ( -0.000 5.101 9.492) 10.776 8.865 ( -0.000 2.402 0.723) 2.508 8.998 ( 0.000 -2.744 -9.774) 10.152 9.084 ( 0.000 1.395 0.210) 1.411 10.765 ( -0.000 -1.965 -0.344) 1.995 12.500 ( -0.000 -3.577 -0.505) 3.613 13.016 ( -0.000 3.080 4.945) 5.826 13.676 ( 0.000 -1.072 -0.868) 1.379 14.054 ( 0.000 -1.483 -1.833) 2.358 14.498 ( -0.000 1.409 1.121) 1.800 15.139 ( 0.000 1.077 -1.296) 1.685 16.230 ( 0.000 1.932 -1.803) 2.642 17.507 ( -0.000 5.998 8.222) 10.177 17.812 ( -0.000 -1.589 1.388) 2.110 18.309 ( 0.000 -1.758 -2.162) 2.787 19.421 ( 0.000 -1.792 -2.494) 3.071 19.792 ( 0.000 -1.672 -1.881) 2.516 ======================= Grid point 61 (36/146) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 4.561 -0.000 -0.000) 4.561 3.151 ( -2.389 0.000 0.000) 2.389 3.392 ( -8.745 0.000 0.000) 8.745 3.587 ( 7.415 -0.000 -0.000) 7.415 3.928 ( -3.219 0.000 0.000) 3.219 4.296 ( 7.363 -0.000 -0.000) 7.363 4.403 ( -0.317 0.000 0.000) 0.317 4.896 ( -18.575 0.000 0.000) 18.575 5.368 ( 11.120 -0.000 -0.000) 11.120 6.191 ( 6.082 -0.000 -0.000) 6.082 6.541 ( 0.059 -0.000 -0.000) 0.059 7.243 ( -5.594 0.000 0.000) 5.594 7.536 ( -1.037 0.000 0.000) 1.037 8.534 ( 5.780 -0.000 -0.000) 5.780 8.805 ( 0.521 -0.000 -0.000) 0.521 9.009 ( -7.080 0.000 0.000) 7.080 9.071 ( 7.641 -0.000 -0.000) 7.641 10.697 ( -6.325 0.000 0.000) 6.325 12.485 ( 0.373 -0.000 -0.000) 0.373 12.959 ( -8.872 0.000 0.000) 8.872 13.749 ( 7.442 -0.000 -0.000) 7.442 14.029 ( -1.142 0.000 0.000) 1.142 14.488 ( -1.298 0.000 0.000) 1.298 15.150 ( 0.620 -0.000 -0.000) 0.620 16.263 ( 3.245 -0.000 -0.000) 3.245 17.523 ( -4.745 0.000 0.000) 4.745 17.812 ( 0.082 -0.000 -0.000) 0.082 18.215 ( -7.835 0.000 0.000) 7.835 19.482 ( 8.140 -0.000 -0.000) 8.140 19.787 ( 1.077 -0.000 -0.000) 1.077 ======================= Grid point 135 (37/146) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -0.000 -0.000 32.185) 32.185 0.631 ( -0.000 -0.000 32.185) 32.185 1.181 ( -0.000 -0.000 59.799) 59.799 3.326 ( 0.000 0.000 -1.244) 1.244 4.481 ( 0.000 0.000 -6.053) 6.053 4.481 ( 0.000 0.000 -6.053) 6.053 4.589 ( 0.000 0.000 -4.121) 4.121 5.664 ( -0.000 -0.000 4.649) 4.649 5.664 ( -0.000 -0.000 4.649) 4.649 6.490 ( -0.000 -0.000 3.421) 3.421 6.490 ( -0.000 -0.000 3.421) 3.421 7.396 ( -0.000 -0.000 1.498) 1.498 7.396 ( -0.000 0.000 1.498) 1.498 7.790 ( 0.000 0.000 -6.657) 6.657 8.664 ( 0.000 -0.000 -0.756) 0.756 8.664 ( 0.000 0.000 -0.756) 0.756 10.813 ( 0.000 0.000 -1.148) 1.148 11.445 ( 0.000 0.000 -2.223) 2.223 12.053 ( -0.000 -0.000 2.797) 2.797 12.053 ( -0.000 -0.000 2.797) 2.797 13.927 ( 0.000 0.000 -3.630) 3.630 13.927 ( 0.000 0.000 -3.630) 3.630 13.940 ( -0.000 -0.000 5.826) 5.826 15.412 ( -0.000 -0.000 10.826) 10.826 15.412 ( -0.000 -0.000 10.826) 10.826 15.488 ( 0.000 0.000 -2.336) 2.336 18.794 ( 0.000 0.000 -5.092) 5.092 18.794 ( 0.000 0.000 -5.092) 5.092 19.890 ( -0.000 -0.000 1.419) 1.419 20.030 ( 0.000 0.000 -0.255) 0.255 ======================= Grid point 136 (38/146) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 18.564 10.718 22.546) 31.110 1.086 ( 16.294 9.408 25.844) 31.968 2.001 ( 34.697 20.032 42.554) 58.446 3.276 ( -3.467 -2.001 -1.169) 4.170 4.295 ( -6.496 -3.751 -10.720) 13.084 4.386 ( -5.938 -3.428 2.328) 7.241 4.622 ( 4.274 2.467 -5.695) 7.536 5.549 ( -11.752 -6.785 5.079) 14.489 5.671 ( -2.852 -1.647 6.719) 7.483 6.569 ( 4.870 2.812 -0.211) 5.627 6.611 ( 4.738 2.735 5.976) 8.102 7.318 ( -3.024 -1.746 -0.975) 3.625 7.493 ( 1.072 0.619 1.408) 1.875 7.658 ( -4.413 -2.548 -4.537) 6.823 8.680 ( 3.234 1.867 -3.648) 5.220 8.716 ( -1.139 -0.658 8.586) 8.686 9.215 ( -52.233 -30.157 52.372) 79.879 11.372 ( -4.832 -2.790 -3.370) 6.518 12.088 ( 2.189 1.264 3.088) 3.991 13.095 ( 22.323 12.888 -19.292) 32.197 13.775 ( -2.514 -1.452 5.247) 5.996 13.902 ( 3.058 1.765 -6.890) 7.741 14.523 ( 23.957 13.832 -19.638) 33.925 15.162 ( -13.867 -8.006 4.088) 16.526 15.697 ( 8.966 5.177 3.445) 10.912 15.744 ( 18.102 10.451 3.566) 21.204 18.387 ( -23.152 -13.367 17.917) 32.183 18.668 ( -5.590 -3.228 -8.347) 10.552 20.016 ( 6.236 3.600 -6.449) 9.667 20.030 ( 0.200 0.115 -0.477) 0.530 ======================= Grid point 137 (39/146) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 17.181 9.920 20.485) 28.517 1.655 ( 20.017 11.557 13.666) 26.851 3.102 ( 39.263 22.669 26.368) 52.447 3.171 ( -4.802 -2.772 -0.005) 5.545 4.071 ( -6.263 -3.616 -11.536) 13.616 4.287 ( -3.805 -2.197 1.726) 4.721 4.709 ( 4.304 2.485 -0.478) 4.993 5.254 ( -14.382 -8.303 2.944) 16.866 5.656 ( -2.198 -1.269 8.022) 8.413 6.599 ( -2.347 -1.355 -3.046) 4.077 6.719 ( -0.226 -0.130 5.099) 5.105 7.276 ( 0.023 0.013 0.548) 0.549 7.342 ( -6.886 -3.975 -5.111) 9.452 7.685 ( 1.204 0.695 5.567) 5.738 8.614 ( -14.501 -8.372 39.003) 42.445 8.722 ( 3.038 1.754 -7.520) 8.298 9.054 ( 7.549 4.358 5.152) 10.125 11.184 ( -8.907 -5.143 -5.229) 11.538 12.180 ( 3.559 2.055 3.548) 5.429 13.187 ( -2.589 -1.495 -4.841) 5.690 13.820 ( 3.419 1.974 0.837) 4.036 13.976 ( 7.293 4.211 -8.446) 11.927 14.752 ( 6.847 3.953 -5.131) 9.425 14.879 ( -11.840 -6.836 1.932) 13.808 15.908 ( 7.231 4.175 4.223) 9.357 16.160 ( 15.904 9.182 0.548) 18.373 18.081 ( -14.757 -8.520 18.053) 24.825 18.439 ( -8.627 -4.981 -11.193) 14.984 20.033 ( 0.442 0.255 -1.026) 1.146 20.082 ( 3.473 2.005 -6.015) 7.229 ======================= Grid point 138 (40/146) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 15.403 8.893 15.704) 23.727 2.151 ( 17.202 9.932 6.854) 21.013 3.085 ( -2.868 -1.656 2.254) 4.006 3.876 ( -4.363 -2.519 -9.634) 10.872 3.969 ( 16.071 9.279 5.070) 19.237 4.295 ( 8.098 4.676 9.630) 13.423 4.667 ( -9.360 -5.404 2.817) 11.169 5.142 ( 7.573 4.372 2.474) 9.088 5.678 ( -0.675 -0.389 8.390) 8.426 6.447 ( -6.505 -3.756 -7.256) 10.444 6.601 ( -10.039 -5.796 -2.920) 11.954 7.262 ( -0.239 -0.138 4.659) 4.667 7.307 ( 0.719 0.415 3.140) 3.248 7.672 ( -5.993 -3.460 4.721) 8.377 8.659 ( -2.523 -1.457 30.780) 30.917 8.712 ( 1.398 0.807 -11.442) 11.555 9.335 ( 13.948 8.053 1.718) 16.197 10.907 ( -11.507 -6.644 -7.050) 15.042 12.282 ( 3.254 1.879 3.206) 4.939 13.028 ( -8.660 -5.000 -0.089) 10.000 13.882 ( 1.468 0.848 -0.832) 1.888 14.074 ( 3.467 2.002 -6.370) 7.524 14.697 ( -2.300 -1.328 -1.878) 3.252 14.873 ( 5.036 2.908 3.137) 6.608 16.083 ( 5.603 3.235 4.544) 7.906 16.469 ( 9.400 5.427 4.850) 11.888 17.908 ( -9.862 -5.694 14.436) 18.387 18.144 ( -9.748 -5.628 -13.225) 17.366 20.038 ( 0.829 0.479 -1.822) 2.058 20.108 ( 2.049 1.183 -4.932) 5.470 ======================= Grid point 139 (41/146) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 12.011 6.935 11.257) 17.863 2.534 ( 13.883 8.015 1.938) 16.147 3.060 ( -1.446 -0.835 3.157) 3.571 3.772 ( 0.442 0.255 -5.865) 5.888 3.881 ( -14.392 -8.309 -1.094) 16.655 4.272 ( -12.181 -7.033 6.336) 15.426 4.931 ( 22.494 12.987 -3.397) 26.195 5.499 ( 16.112 9.302 6.228) 19.619 5.716 ( -1.226 -0.708 7.312) 7.448 6.288 ( -0.945 -0.546 -6.574) 6.664 6.311 ( -11.112 -6.415 -4.956) 13.754 7.289 ( -4.805 -2.774 8.390) 10.059 7.328 ( -0.475 -0.274 2.548) 2.606 7.478 ( -10.596 -6.118 1.864) 12.377 8.642 ( -0.310 -0.179 -12.992) 12.997 8.846 ( 2.133 1.232 25.107) 25.227 9.692 ( 15.739 9.087 2.151) 18.301 10.577 ( -12.707 -7.337 -8.321) 16.869 12.371 ( 3.071 1.773 2.219) 4.182 12.822 ( -9.362 -5.405 1.839) 10.965 13.888 ( -0.243 -0.140 0.436) 0.519 14.013 ( -4.817 -2.781 -2.901) 6.273 14.761 ( 7.912 4.568 -6.202) 11.043 15.019 ( 4.961 2.865 4.536) 7.307 16.230 ( 4.966 2.867 4.155) 7.081 16.643 ( 1.492 0.862 8.808) 8.975 17.820 ( -4.801 -2.772 11.676) 12.925 17.841 ( -8.583 -4.955 -13.669) 16.884 20.048 ( 1.372 0.792 -2.748) 3.171 20.114 ( 0.992 0.573 -3.905) 4.069 ======================= Grid point 140 (42/146) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 1.056 0.610 -2.046) 2.382 2.804 ( 6.848 3.954 6.184) 10.038 3.105 ( 7.562 4.366 2.406) 9.057 3.470 ( -19.195 -11.082 2.024) 22.256 3.830 ( 6.230 3.597 -2.121) 7.500 4.070 ( -8.542 -4.932 3.701) 10.535 5.379 ( 19.441 11.224 -5.705) 23.162 5.647 ( -9.041 -5.220 2.838) 10.818 5.711 ( 3.066 1.770 -7.984) 8.734 6.113 ( -3.806 -2.197 0.261) 4.402 6.437 ( 13.222 7.634 0.933) 15.296 6.962 ( -23.288 -13.445 4.777) 27.311 7.340 ( 0.823 0.475 3.328) 3.461 7.371 ( -2.546 -1.470 -2.110) 3.619 8.544 ( -1.796 -1.037 -8.742) 8.984 9.046 ( 1.847 1.066 20.284) 20.396 10.073 ( 15.688 9.057 3.355) 18.423 10.224 ( -13.121 -7.576 -8.989) 17.617 12.463 ( 4.331 2.501 1.122) 5.125 12.635 ( -8.035 -4.639 2.763) 9.681 13.889 ( -3.564 -2.057 -1.977) 4.565 13.903 ( 1.222 0.705 2.085) 2.517 14.867 ( 3.936 2.272 -8.546) 9.679 15.130 ( 1.802 1.040 3.893) 4.414 16.377 ( 5.924 3.420 3.431) 7.652 16.639 ( -7.024 -4.056 10.167) 13.006 17.592 ( -5.653 -3.264 -12.062) 13.715 17.858 ( 2.006 1.158 10.357) 10.613 20.065 ( 1.919 1.108 -3.695) 4.308 20.105 ( 0.238 0.137 -2.956) 2.968 ======================= Grid point 141 (43/146) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -11.832 -6.831 -2.051) 13.816 2.870 ( -4.785 -2.762 0.725) 5.572 3.108 ( -12.451 -7.189 4.418) 15.041 3.410 ( 15.777 9.109 -2.862) 18.442 3.958 ( -2.388 -1.379 4.604) 5.367 3.993 ( 8.177 4.721 -0.395) 9.450 5.366 ( -16.265 -9.391 2.113) 18.900 5.570 ( -1.301 -0.751 -4.916) 5.141 5.879 ( 20.193 11.658 -10.917) 25.745 6.015 ( -11.927 -6.886 3.520) 14.214 6.493 ( -13.641 -7.876 4.614) 16.413 6.682 ( 7.872 4.545 -6.399) 11.116 7.249 ( -4.150 -2.396 -11.021) 12.018 7.448 ( 5.244 3.028 7.743) 9.830 8.449 ( -4.131 -2.385 -0.790) 4.835 9.174 ( -1.031 -0.595 15.366) 15.412 9.861 ( -13.346 -7.705 -9.158) 17.927 10.446 ( 14.594 8.426 3.919) 17.302 12.489 ( -6.468 -3.734 2.945) 8.028 12.594 ( 6.957 4.017 -0.017) 8.033 13.845 ( 0.694 0.401 -1.156) 1.406 13.979 ( 4.008 2.314 2.815) 5.417 14.806 ( -3.333 -1.924 -11.156) 11.801 15.137 ( -3.665 -2.116 4.375) 6.087 16.484 ( -10.993 -6.347 9.112) 15.625 16.544 ( 6.334 3.657 3.844) 8.262 17.428 ( -2.686 -1.551 -9.726) 10.209 18.029 ( 6.715 3.877 9.477) 12.245 20.087 ( 2.264 1.307 -4.588) 5.281 20.089 ( -0.185 -0.107 -2.125) 2.136 ======================= Grid point 142 (44/146) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -17.505 -10.107 -0.975) 20.237 2.576 ( -19.757 -11.407 2.990) 23.009 2.987 ( -0.511 -0.295 -0.761) 0.962 3.694 ( 11.192 6.462 -10.076) 16.387 4.038 ( 5.207 3.006 7.775) 9.828 4.178 ( 6.921 3.996 0.042) 7.991 4.858 ( -29.999 -17.320 0.851) 34.650 5.483 ( -2.057 -1.188 -5.802) 6.270 5.676 ( -13.884 -8.016 12.944) 20.605 6.273 ( 17.171 9.913 -7.497) 21.197 6.457 ( 2.854 1.648 3.480) 4.793 6.768 ( 7.104 4.102 -10.868) 13.617 7.066 ( -3.330 -1.923 -16.102) 16.554 7.613 ( 3.314 1.913 7.291) 8.234 8.326 ( -8.011 -4.625 4.613) 10.337 9.195 ( -4.508 -2.602 11.004) 12.173 9.499 ( -13.013 -7.513 -8.593) 17.309 10.785 ( 12.866 7.428 3.113) 15.178 12.370 ( -5.668 -3.272 2.755) 7.101 12.782 ( 9.527 5.500 -1.104) 11.056 13.895 ( 3.209 1.853 0.090) 3.706 14.111 ( 5.535 3.196 2.452) 6.846 14.616 ( -5.096 -2.942 -12.529) 13.842 15.030 ( -8.031 -4.637 6.377) 11.254 16.287 ( -10.407 -6.009 7.147) 13.982 16.703 ( 4.710 2.719 5.430) 7.685 17.327 ( -1.427 -0.824 -8.269) 8.431 18.264 ( 8.468 4.889 7.738) 12.469 20.071 ( -0.341 -0.197 -1.460) 1.513 20.107 ( 2.311 1.334 -5.407) 6.030 ======================= Grid point 143 (45/146) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -22.000 -12.702 1.222) 25.433 2.060 ( -26.022 -15.024 2.163) 30.125 3.043 ( 5.043 2.912 -0.267) 5.830 3.615 ( -25.995 -15.008 -6.759) 30.768 4.044 ( -10.270 -5.930 -3.625) 12.401 4.252 ( 7.523 4.344 9.675) 13.002 4.462 ( 4.085 2.359 -3.984) 6.174 5.420 ( 0.002 0.001 -5.297) 5.297 5.629 ( -2.514 -1.452 23.363) 23.543 6.485 ( 5.309 3.065 -6.121) 8.663 6.548 ( 3.300 1.906 0.055) 3.811 6.926 ( -0.012 -0.007 -12.713) 12.713 6.971 ( 16.333 9.430 -9.966) 21.331 7.660 ( -2.404 -1.388 4.155) 4.997 8.136 ( -11.645 -6.723 6.976) 15.149 9.117 ( -7.295 -4.212 7.317) 11.158 9.166 ( -11.296 -6.522 -6.788) 14.704 11.069 ( 10.521 6.074 1.345) 12.222 12.261 ( -5.394 -3.114 2.740) 6.804 13.004 ( 10.328 5.963 -2.050) 12.100 13.929 ( -1.763 -1.018 -0.062) 2.036 14.222 ( 1.635 0.944 1.575) 2.458 14.500 ( 3.290 1.899 -9.956) 10.656 14.911 ( -4.581 -2.645 7.889) 9.498 16.103 ( -9.338 -5.391 5.567) 12.135 16.819 ( 3.128 1.806 -0.521) 3.649 17.248 ( -2.345 -1.354 -0.510) 2.756 18.500 ( 8.184 4.725 5.077) 10.728 20.055 ( -0.352 -0.203 -0.965) 1.047 20.121 ( 2.135 1.233 -6.246) 6.715 ======================= Grid point 144 (46/146) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -24.672 -14.244 6.930) 29.320 1.441 ( -29.179 -16.847 4.537) 33.997 2.608 ( -51.644 -29.817 6.471) 59.984 3.177 ( 5.992 3.460 -0.095) 6.920 4.009 ( 4.386 2.532 -6.362) 8.132 4.465 ( 5.031 2.905 8.323) 10.150 4.562 ( 5.326 3.075 -5.170) 8.034 5.432 ( 3.864 2.231 -3.466) 5.649 5.745 ( -1.575 -0.910 17.390) 17.485 6.511 ( 0.695 0.401 -3.822) 3.905 6.633 ( 4.271 2.466 0.869) 5.008 6.925 ( 3.819 2.205 5.592) 7.122 7.281 ( 13.045 7.532 -8.919) 17.505 7.603 ( -1.835 -1.060 2.231) 3.077 7.915 ( -11.504 -6.642 12.121) 17.982 8.907 ( -8.017 -4.629 -3.854) 10.027 8.965 ( -8.868 -5.120 4.035) 11.006 11.280 ( 7.563 4.367 -0.482) 8.747 12.161 ( -4.823 -2.784 2.982) 6.317 13.207 ( 8.492 4.903 -3.985) 10.584 13.827 ( -5.507 -3.179 0.060) 6.359 14.175 ( -5.733 -3.310 1.343) 6.755 14.623 ( 9.900 5.716 -6.586) 13.193 14.972 ( 5.273 3.044 6.825) 9.147 15.920 ( -9.777 -5.645 4.665) 12.215 16.706 ( -5.660 -3.268 -37.877) 38.436 17.339 ( 3.776 2.180 35.022) 35.293 18.691 ( 6.232 3.598 1.852) 7.430 20.043 ( -0.299 -0.173 -0.598) 0.690 20.121 ( 1.710 0.987 -7.650) 7.900 ======================= Grid point 147 (47/146) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -0.000 19.455 25.935) 32.421 1.261 ( -0.000 17.919 25.281) 30.988 2.272 ( -0.000 31.565 45.118) 55.064 3.270 ( 0.000 -3.640 -1.165) 3.822 4.126 ( 0.000 -15.644 -8.378) 17.746 4.513 ( 0.000 -0.879 -4.814) 4.893 4.535 ( 0.000 6.647 -3.808) 7.661 5.610 ( -0.000 -10.378 5.147) 11.584 5.772 ( -0.000 2.504 5.089) 5.671 6.499 ( -0.000 -2.264 1.207) 2.566 6.671 ( -0.000 6.419 5.532) 8.474 7.317 ( -0.000 -5.731 -0.711) 5.775 7.524 ( -0.000 3.426 5.962) 6.876 7.597 ( 0.000 -4.879 -8.363) 9.682 8.616 ( 0.000 -1.555 -0.477) 1.626 8.784 ( 0.000 10.004 -1.299) 10.088 9.487 ( -0.000 -65.215 42.841) 78.028 11.354 ( 0.000 -4.973 -3.793) 6.255 12.175 ( -0.000 5.378 6.343) 8.316 12.916 ( 0.000 25.327 -16.838) 30.413 13.810 ( -0.000 1.349 0.983) 1.669 13.986 ( 0.000 8.012 -4.659) 9.269 14.285 ( 0.000 16.456 -14.362) 21.842 15.284 ( -0.000 -9.599 2.257) 9.861 15.602 ( -0.000 8.808 5.653) 10.466 15.871 ( -0.000 15.393 14.129) 20.895 18.410 ( -0.000 -20.693 4.806) 21.244 18.720 ( 0.000 -1.298 -6.426) 6.556 19.925 ( 0.000 -0.671 -3.376) 3.443 20.024 ( 0.000 -0.236 -0.590) 0.635 ======================= Grid point 148 (48/146) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 8.209 16.937 20.707) 27.983 1.682 ( 7.531 17.894 21.527) 28.989 3.051 ( 19.935 31.259 31.645) 48.744 3.201 ( -2.164 -3.513 0.273) 4.135 3.925 ( 0.568 -13.400 -9.303) 16.323 4.412 ( -6.250 2.843 -3.350) 7.640 4.637 ( 5.334 4.161 -1.971) 7.046 5.412 ( -11.508 -13.012 5.064) 18.094 5.784 ( -4.060 2.320 6.074) 7.666 6.495 ( 3.774 -8.316 -4.368) 10.124 6.767 ( -0.068 1.450 4.336) 4.572 7.191 ( -1.891 -10.756 0.636) 10.939 7.452 ( -5.702 2.913 -2.545) 6.890 7.701 ( 5.435 4.876 5.408) 9.087 8.620 ( 1.820 -2.503 0.480) 3.131 8.891 ( -0.150 6.696 3.722) 7.662 9.124 ( -8.201 -23.143 28.700) 37.769 11.219 ( -5.587 -6.598 -5.062) 10.019 12.248 ( -2.342 7.341 6.607) 10.151 13.074 ( 7.144 0.777 -8.043) 10.786 13.834 ( -0.475 2.552 1.797) 3.157 13.963 ( -3.011 10.885 -8.232) 13.975 14.492 ( 14.246 0.981 -9.050) 16.906 15.081 ( -11.750 -3.767 1.085) 12.387 15.844 ( 9.993 7.199 2.716) 12.612 16.159 ( 4.199 14.741 15.789) 22.005 18.213 ( -5.142 -15.051 6.129) 17.045 18.540 ( -11.759 -1.266 -7.165) 13.828 19.944 ( 6.170 -3.145 -4.911) 8.489 20.018 ( 0.419 -0.555 -1.165) 1.356 ======================= Grid point 149 (49/146) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 8.423 12.973 15.930) 22.204 2.129 ( 11.096 14.358 14.931) 23.499 3.120 ( -2.321 -3.239 2.265) 4.583 3.750 ( 3.083 -6.110 -6.442) 9.399 3.887 ( 17.492 20.160 9.585) 28.359 4.346 ( -2.447 5.161 1.629) 5.940 4.740 ( 0.251 -1.808 2.256) 2.901 5.135 ( -5.580 -7.145 5.656) 10.685 5.786 ( -3.149 2.523 6.815) 7.920 6.352 ( -0.503 -15.031 -11.827) 19.133 6.666 ( -7.581 -6.694 -0.778) 10.143 7.174 ( 4.505 -5.024 6.447) 9.333 7.408 ( -3.128 3.352 2.276) 5.119 7.832 ( -3.703 7.352 6.398) 10.426 8.623 ( 1.464 -0.743 -3.941) 4.270 8.902 ( -5.229 -5.063 23.803) 24.891 9.201 ( 10.344 5.103 1.665) 11.654 10.976 ( -9.783 -7.265 -6.948) 14.027 12.327 ( -1.331 6.118 5.927) 8.621 13.046 ( -1.448 -7.725 -1.997) 8.109 13.886 ( 1.053 3.824 0.553) 4.005 14.005 ( 2.684 7.629 -8.360) 11.631 14.588 ( 5.405 -10.274 0.038) 11.609 14.930 ( -3.986 5.983 -2.426) 7.587 16.069 ( 6.362 5.387 4.252) 9.358 16.480 ( 5.154 12.032 14.662) 19.655 18.027 ( -5.655 -10.301 3.715) 12.325 18.250 ( -14.076 -1.698 -6.559) 15.622 19.984 ( 5.186 -3.119 -4.737) 7.686 20.016 ( 1.888 -0.839 -2.776) 3.461 ======================= Grid point 150 (50/146) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 8.659 7.989 9.961) 15.428 2.522 ( 9.996 11.284 10.266) 18.238 3.085 ( -1.231 -2.861 4.065) 5.121 3.684 ( 2.968 -3.222 -5.499) 7.031 4.033 ( -9.654 0.078 -4.737) 10.754 4.468 ( -11.472 -7.344 6.041) 14.901 4.689 ( 14.359 10.069 -2.987) 17.790 5.342 ( 15.852 4.983 10.822) 19.830 5.801 ( -1.839 -0.115 4.120) 4.513 6.101 ( 0.731 -15.253 -8.997) 17.723 6.465 ( -8.941 -0.201 -2.771) 9.363 7.206 ( 2.516 -8.157 1.282) 8.632 7.443 ( -1.307 3.355 8.216) 8.970 7.764 ( -16.128 4.856 6.236) 17.960 8.587 ( -0.897 1.711 -10.248) 10.428 8.992 ( 0.591 -1.260 24.097) 24.137 9.500 ( 16.391 6.060 0.495) 17.482 10.663 ( -12.103 -6.961 -8.610) 16.403 12.393 ( -0.753 4.043 4.517) 6.109 12.891 ( -5.500 -9.170 1.305) 10.772 13.911 ( -1.320 2.022 -0.055) 2.415 14.036 ( -1.727 0.631 -4.364) 4.736 14.601 ( 8.172 -2.866 -0.816) 8.698 14.994 ( 3.529 5.376 -1.900) 6.706 16.234 ( 3.871 4.266 5.413) 7.905 16.734 ( 0.957 8.038 14.238) 16.378 17.836 ( -6.769 -5.373 -8.980) 12.463 17.994 ( -10.248 -2.399 4.526) 11.457 19.995 ( 2.492 -1.697 -3.600) 4.696 20.033 ( 3.865 -1.675 -4.629) 6.259 ======================= Grid point 151 (51/146) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 7.447 3.060 5.121) 9.542 2.804 ( 4.436 6.120 5.187) 9.167 3.072 ( 1.798 -0.784 4.143) 4.584 3.650 ( -10.462 -8.948 -1.538) 13.852 3.800 ( -1.688 3.989 -0.999) 4.445 4.209 ( -11.153 -6.623 3.676) 13.483 5.062 ( 21.108 9.586 -11.931) 26.073 5.514 ( 4.614 -13.651 -8.195) 16.577 5.787 ( -3.730 -0.527 6.891) 7.854 6.091 ( 6.020 -1.229 5.901) 8.519 6.393 ( 0.493 8.338 -1.700) 8.523 7.113 ( -2.498 -11.114 -2.598) 11.684 7.465 ( -16.438 1.175 6.058) 17.558 7.511 ( -9.069 4.657 5.383) 11.529 8.518 ( -1.103 0.334 -6.849) 6.946 9.161 ( 1.677 1.549 18.391) 18.532 9.870 ( 18.322 5.061 2.303) 19.148 10.322 ( -13.019 -5.664 -9.257) 16.949 12.448 ( 0.924 2.452 2.797) 3.833 12.717 ( -6.050 -7.866 3.150) 10.411 13.893 ( -1.922 -1.776 -0.988) 2.798 13.945 ( -3.154 0.069 -0.009) 3.155 14.759 ( 7.699 4.121 -4.839) 9.983 15.082 ( 4.392 -0.402 -0.213) 4.416 16.368 ( 3.375 3.918 5.112) 7.271 16.827 ( -6.892 2.315 12.908) 14.815 17.599 ( -7.153 -1.543 -12.136) 14.171 17.928 ( -1.773 0.070 9.094) 9.265 19.999 ( 2.635 -1.002 -4.448) 5.267 20.048 ( 2.971 -1.443 -4.175) 5.324 ======================= Grid point 152 (52/146) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -7.722 -5.223 1.262) 9.408 2.874 ( 1.920 -1.777 1.816) 3.185 3.241 ( 0.600 0.874 -0.084) 1.064 3.313 ( -5.776 -2.444 3.922) 7.397 3.913 ( 2.810 3.035 -0.323) 4.148 4.044 ( -2.318 0.330 3.521) 4.229 5.307 ( 9.228 -14.688 -12.334) 21.284 5.503 ( 14.848 4.148 -6.540) 16.747 5.671 ( -8.088 0.605 0.743) 8.145 6.185 ( -3.263 5.960 4.775) 8.304 6.535 ( 4.978 -0.232 -0.690) 5.031 6.817 ( -18.312 -6.367 2.446) 19.541 7.178 ( -8.367 -4.512 -8.258) 12.592 7.561 ( -1.821 8.807 8.442) 12.335 8.472 ( -1.046 -2.828 0.941) 3.159 9.293 ( -0.493 1.904 12.685) 12.836 9.948 ( -11.988 -6.422 -10.264) 17.038 10.278 ( 15.714 5.931 4.005) 17.267 12.509 ( 1.872 -1.433 1.315) 2.700 12.588 ( -3.191 -2.281 3.585) 5.314 13.823 ( -0.453 -1.912 -1.607) 2.538 13.968 ( 1.892 2.039 2.311) 3.616 14.786 ( -3.003 1.091 -8.684) 9.253 15.146 ( 3.436 -2.046 2.039) 4.489 16.496 ( 3.533 1.873 4.603) 6.097 16.729 ( -11.733 -1.055 9.904) 15.391 17.426 ( -4.703 0.172 -7.749) 9.066 18.031 ( 4.220 3.520 8.454) 10.083 20.009 ( 3.098 -0.391 -5.525) 6.347 20.053 ( 1.826 -0.883 -3.284) 3.860 ======================= Grid point 153 (53/146) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -15.033 -8.295 2.363) 17.331 2.790 ( -10.931 -5.818 0.519) 12.393 3.001 ( -6.803 -6.959 2.292) 9.998 3.499 ( 9.530 5.427 -6.935) 12.976 3.984 ( 7.095 0.302 5.408) 8.926 4.181 ( 3.885 10.437 1.772) 11.277 5.211 ( -7.720 -11.089 3.966) 14.082 5.302 ( -9.247 -12.678 -7.315) 17.313 5.944 ( 13.095 7.728 -5.203) 16.071 6.053 ( -10.332 4.476 -0.949) 11.300 6.511 ( -1.388 2.377 5.600) 6.240 6.677 ( 0.609 0.935 -2.309) 2.564 6.947 ( -3.676 -7.410 -12.381) 14.890 7.701 ( -0.012 8.229 8.231) 11.639 8.413 ( -3.692 -6.122 5.658) 9.117 9.337 ( -4.289 1.180 8.579) 9.664 9.595 ( -13.474 -5.830 -10.029) 17.779 10.626 ( 15.048 4.692 3.072) 16.059 12.436 ( -4.174 -5.416 3.518) 7.690 12.678 ( 7.103 4.154 -0.351) 8.236 13.842 ( 3.969 0.552 -0.480) 4.036 14.060 ( 4.548 1.804 1.933) 5.261 14.614 ( -7.338 -2.785 -9.036) 11.969 15.151 ( -3.642 -0.927 3.031) 4.828 16.453 ( -9.837 -7.566 8.191) 14.870 16.699 ( 1.779 4.995 1.814) 5.604 17.332 ( -3.109 0.554 -2.006) 3.741 18.221 ( 7.143 3.983 6.386) 10.376 20.025 ( 3.179 0.365 -6.366) 7.125 20.052 ( 0.951 -0.215 -2.440) 2.628 ======================= Grid point 154 (54/146) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -20.143 -8.700 4.318) 22.362 2.390 ( -24.044 -10.128 2.413) 26.202 2.972 ( 4.180 -0.232 0.027) 4.187 3.629 ( 6.257 2.091 -7.395) 9.910 4.207 ( 10.436 3.516 5.688) 12.394 4.309 ( -7.879 6.352 1.892) 10.296 4.582 ( -31.995 -10.716 1.248) 33.765 5.248 ( 7.580 -10.832 -2.925) 13.540 5.849 ( -6.284 0.430 10.240) 12.022 6.353 ( 14.047 10.429 -5.913) 18.468 6.551 ( -1.345 2.681 -5.904) 6.622 6.733 ( 7.651 0.659 -6.427) 10.014 6.830 ( 3.686 -0.565 3.880) 5.381 7.775 ( -4.359 4.059 5.381) 8.027 8.288 ( -7.636 -7.530 7.097) 12.860 9.247 ( -12.080 -4.967 -4.877) 13.942 9.289 ( -8.356 -0.300 2.012) 8.600 10.920 ( 13.010 3.162 0.882) 13.418 12.335 ( -4.666 -4.225 3.722) 7.313 12.867 ( 10.118 4.761 -1.887) 11.341 13.929 ( 2.594 1.683 -0.123) 3.095 14.158 ( 4.930 -1.037 0.232) 5.043 14.444 ( -2.357 0.154 -6.286) 6.715 15.053 ( -8.028 -1.407 4.663) 9.390 16.251 ( -9.862 -7.158 7.261) 14.185 16.760 ( 1.081 2.701 -8.863) 9.328 17.315 ( -1.215 0.499 9.499) 9.590 18.420 ( 8.403 2.187 3.171) 9.244 20.038 ( 1.733 0.716 -4.812) 5.164 20.054 ( 1.309 1.233 -3.790) 4.195 ======================= Grid point 155 (55/146) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -23.863 -6.580 9.114) 26.378 1.861 ( -28.670 -7.842 5.147) 30.165 3.079 ( 6.114 0.721 0.354) 6.166 3.388 ( -45.400 -5.199 6.934) 46.220 3.908 ( -0.134 -0.214 -4.799) 4.806 4.426 ( 7.321 -0.308 1.080) 7.407 4.519 ( 3.076 5.861 4.645) 8.086 5.260 ( 7.468 -7.055 -3.108) 10.734 5.834 ( -2.010 -5.310 3.789) 6.826 6.482 ( 1.545 1.766 -5.787) 6.245 6.625 ( 4.059 6.950 6.940) 10.628 6.850 ( 11.285 -0.224 2.591) 11.581 7.105 ( 13.024 10.953 4.721) 17.660 7.703 ( -8.340 -0.575 2.954) 8.867 8.119 ( -9.400 -5.595 10.194) 14.953 8.973 ( -9.069 -4.021 -5.243) 11.221 9.140 ( -10.908 -0.824 2.762) 11.283 11.145 ( 10.710 1.351 -1.343) 10.878 12.239 ( -4.954 -3.308 3.803) 7.067 13.076 ( 9.981 4.356 -2.936) 11.279 13.888 ( -5.481 -1.403 -0.647) 5.694 14.215 ( 0.845 -1.295 -1.045) 1.866 14.483 ( 6.960 4.624 -3.672) 9.128 14.973 ( -1.321 -2.355 5.935) 6.520 16.066 ( -9.390 -6.096 5.830) 12.622 16.612 ( -8.277 0.287 -24.748) 26.097 17.466 ( 5.524 1.284 24.732) 25.374 18.581 ( 8.411 -1.068 -0.754) 8.512 20.038 ( 0.218 0.556 -1.916) 2.007 20.070 ( 1.282 3.652 -6.363) 7.447 ======================= Grid point 159 (56/146) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -0.000 15.241 19.880) 25.050 1.986 ( -0.000 21.662 21.609) 30.597 3.177 ( -0.000 -4.626 0.887) 4.710 3.406 ( -0.000 32.956 25.096) 41.423 3.732 ( 0.000 -11.771 -8.035) 14.252 4.475 ( 0.000 1.931 -0.438) 1.980 4.610 ( 0.000 4.276 -4.138) 5.950 5.406 ( -0.000 -14.957 3.315) 15.320 5.864 ( -0.000 0.325 4.498) 4.510 6.300 ( 0.000 -14.719 -9.512) 17.525 6.816 ( -0.000 -0.011 5.735) 5.735 7.098 ( -0.000 -10.565 0.199) 10.566 7.618 ( 0.000 10.859 0.472) 10.869 7.659 ( -0.000 -0.428 9.113) 9.123 8.615 ( -0.000 0.733 2.799) 2.893 8.964 ( 0.000 10.606 -4.707) 11.603 9.115 ( -0.000 -23.955 25.892) 35.274 11.168 ( 0.000 -7.503 -4.920) 8.972 12.419 ( -0.000 8.002 10.107) 12.892 12.960 ( 0.000 -0.637 -6.455) 6.486 13.865 ( 0.000 1.160 -0.211) 1.179 14.082 ( 0.000 7.611 -6.047) 9.721 14.303 ( 0.000 4.571 -8.378) 9.543 15.146 ( -0.000 -5.237 -0.520) 5.263 15.847 ( -0.000 9.670 2.693) 10.038 16.407 ( -0.000 15.286 20.639) 25.683 18.134 ( -0.000 -11.853 0.894) 11.886 18.589 ( 0.000 -2.749 -7.105) 7.618 19.807 ( 0.000 -5.875 -3.265) 6.722 19.995 ( 0.000 -1.502 -1.539) 2.151 ======================= Grid point 160 (57/146) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 5.752 11.471 15.771) 20.332 2.321 ( -0.535 18.909 18.566) 26.505 3.134 ( -1.356 -3.353 3.259) 4.868 3.593 ( 1.753 -6.748 -7.862) 10.508 3.923 ( 9.909 22.075 7.837) 25.434 4.466 ( -4.701 4.648 1.263) 6.731 4.687 ( 6.591 2.345 2.200) 7.334 5.194 ( -7.468 -13.544 3.484) 15.853 5.870 ( -2.016 -2.034 1.992) 3.488 6.070 ( 2.299 -19.139 -11.681) 22.539 6.750 ( -7.613 -4.205 2.861) 9.156 7.089 ( 4.734 -3.986 4.451) 7.623 7.551 ( -7.594 2.163 7.030) 10.572 7.927 ( 8.494 9.482 6.176) 14.149 8.626 ( -2.581 2.130 1.269) 3.579 9.022 ( -1.044 -3.464 11.213) 11.782 9.104 ( 4.972 -1.169 3.317) 6.090 11.003 ( -6.302 -7.331 -5.825) 11.287 12.517 ( -5.050 8.214 9.901) 13.820 12.931 ( 2.792 -7.191 -3.044) 8.293 13.878 ( 2.777 0.218 -0.770) 2.890 14.053 ( -3.850 7.111 -6.434) 10.334 14.395 ( 7.112 -1.403 -2.272) 7.596 15.039 ( -5.507 0.799 -2.738) 6.201 16.023 ( 6.947 6.522 2.894) 9.959 16.697 ( 0.318 14.521 20.821) 25.387 18.006 ( -2.800 -8.102 -2.110) 8.828 18.415 ( -10.386 -2.810 -5.591) 12.125 19.789 ( 6.662 -6.210 -3.737) 9.844 19.970 ( 0.622 -2.133 -2.292) 3.192 ======================= Grid point 161 (58/146) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 5.710 7.356 11.346) 14.678 2.588 ( 1.413 13.919 13.664) 19.556 3.109 ( -1.777 -2.990 5.383) 6.409 3.563 ( 4.296 -1.084 -4.096) 6.033 4.128 ( -2.908 4.823 -8.577) 10.261 4.459 ( 4.036 -0.029 -5.476) 6.802 4.727 ( -9.222 -3.992 5.949) 11.678 5.202 ( 12.038 1.935 10.018) 15.781 5.671 ( 1.414 -19.257 -11.922) 22.693 6.001 ( 1.164 -0.625 5.013) 5.184 6.596 ( -7.830 -0.212 0.315) 7.839 7.118 ( 0.352 -4.894 0.427) 4.925 7.550 ( -1.216 0.614 11.941) 12.018 8.097 ( -6.894 9.837 5.688) 13.291 8.589 ( -3.389 3.877 -5.870) 7.809 9.083 ( 2.333 -4.942 20.189) 20.916 9.267 ( 13.342 2.767 -4.706) 14.415 10.744 ( -10.659 -5.997 -7.286) 14.236 12.548 ( -6.204 6.141 7.913) 11.783 12.848 ( -0.804 -10.472 0.145) 10.504 13.943 ( 1.680 0.937 -0.975) 2.157 14.030 ( -0.347 3.399 -5.309) 6.313 14.448 ( 4.885 -4.187 2.616) 6.945 15.000 ( -0.387 6.163 -5.190) 8.066 16.215 ( 6.425 3.460 4.404) 8.524 16.952 ( -1.564 11.989 18.022) 21.702 17.844 ( -5.607 -3.742 -7.690) 10.226 18.169 ( -10.997 -3.147 0.230) 11.441 19.836 ( 7.705 -4.944 -4.216) 10.079 19.947 ( 1.529 -2.325 -3.270) 4.293 ======================= Grid point 162 (59/146) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 2.470 3.623 8.509) 9.572 2.832 ( 4.055 8.950 7.163) 12.159 3.076 ( -1.104 -3.238 6.240) 7.116 3.644 ( 3.067 1.999 -1.174) 3.845 3.926 ( -10.447 -2.441 -4.322) 11.566 4.355 ( -11.220 -7.304 1.239) 13.445 4.736 ( 14.162 3.989 -11.887) 18.915 5.191 ( 3.439 -20.644 -13.654) 24.988 5.777 ( 12.363 -0.292 12.956) 17.911 6.077 ( 1.478 3.946 7.295) 8.425 6.499 ( -4.917 4.877 -2.343) 7.311 7.026 ( -2.600 -5.223 -4.762) 7.531 7.633 ( -0.589 -0.140 14.144) 14.157 7.947 ( -21.917 5.744 4.313) 23.064 8.513 ( -3.291 2.647 -7.716) 8.796 9.230 ( 3.628 0.197 12.688) 13.198 9.572 ( 20.670 0.398 1.701) 20.743 10.441 ( -12.675 -3.753 -7.997) 15.450 12.535 ( -5.043 2.720 5.025) 7.621 12.724 ( -2.616 -9.168 2.576) 9.875 13.914 ( -2.919 -1.693 -1.567) 3.720 13.992 ( -2.556 -0.158 -1.668) 3.056 14.609 ( 11.843 2.516 1.892) 12.255 15.027 ( 0.642 3.287 -5.242) 6.220 16.369 ( 4.689 1.938 5.641) 7.587 17.073 ( -7.045 6.227 11.100) 14.547 17.654 ( -7.583 0.666 -8.553) 11.450 18.025 ( -4.496 -1.557 5.668) 7.401 19.887 ( 5.544 -3.053 -4.103) 7.542 19.940 ( 3.248 -2.067 -4.062) 5.597 ======================= Grid point 163 (60/146) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -1.281 -2.045 4.034) 4.701 2.873 ( -4.112 -2.840 3.935) 6.361 3.199 ( 6.567 5.456 2.220) 8.822 3.493 ( -13.240 -3.943 3.435) 14.235 3.922 ( 1.785 5.950 -0.977) 6.289 4.102 ( -5.842 -5.263 1.660) 8.037 4.871 ( 10.980 -14.657 -15.378) 23.914 5.152 ( 19.592 0.973 -10.975) 22.477 5.869 ( -7.313 -0.973 7.110) 10.246 6.261 ( 6.457 3.426 9.555) 12.031 6.489 ( -0.495 2.845 -1.725) 3.364 6.877 ( -4.638 -4.063 -8.257) 10.305 7.526 ( -26.803 0.790 2.555) 26.936 7.739 ( -3.378 4.066 12.165) 13.264 8.453 ( -0.821 -1.332 -1.936) 2.489 9.354 ( 2.933 1.295 5.012) 5.950 9.916 ( 11.459 -1.914 0.764) 11.643 10.179 ( -4.858 0.587 -3.857) 6.231 12.503 ( -1.957 -1.810 2.481) 3.642 12.626 ( -2.525 -4.350 3.341) 6.038 13.819 ( -2.875 -2.453 -1.192) 3.963 13.974 ( 0.375 0.821 0.510) 1.037 14.805 ( 1.867 5.187 -3.345) 6.448 15.032 ( 4.958 -2.307 -1.175) 5.593 16.492 ( 3.479 1.186 5.872) 6.927 16.974 ( -11.865 0.153 2.571) 12.141 17.507 ( -7.337 2.049 -1.454) 7.755 18.053 ( 2.194 1.802 5.941) 6.585 19.911 ( 3.438 -1.139 -4.597) 5.852 19.967 ( 4.175 -1.171 -3.496) 5.570 ======================= Grid point 164 (61/146) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -11.787 -5.945 4.263) 13.873 2.811 ( -0.681 -4.031 -0.088) 4.089 3.144 ( -11.906 -5.944 1.305) 13.371 3.438 ( 0.141 7.081 -0.950) 7.146 3.902 ( 3.959 -2.982 2.989) 5.788 4.230 ( 5.270 11.645 3.459) 13.242 4.819 ( 13.878 -17.759 -9.055) 24.289 5.478 ( 10.944 3.995 -9.319) 14.919 5.731 ( -4.092 2.834 1.229) 5.127 6.336 ( -10.655 2.118 0.162) 10.864 6.524 ( 5.423 -0.849 6.280) 8.341 6.679 ( -6.284 -3.209 -8.546) 11.082 7.102 ( -21.377 1.213 3.246) 21.656 7.836 ( -0.213 3.922 10.904) 11.590 8.415 ( -1.011 -4.719 2.586) 5.475 9.408 ( 0.618 -0.080 -1.213) 1.364 9.751 ( -14.333 -1.145 -4.905) 15.192 10.401 ( 16.759 1.514 3.095) 17.109 12.453 ( -2.008 -5.048 3.021) 6.216 12.620 ( 2.686 0.755 0.364) 2.814 13.787 ( 1.569 -0.681 0.519) 1.788 14.017 ( 3.066 0.732 0.440) 3.183 14.706 ( -9.533 1.338 -5.897) 11.289 15.141 ( 5.494 -0.762 1.439) 5.730 16.556 ( -2.510 -2.531 5.935) 6.923 16.779 ( -7.602 -0.349 -1.165) 7.699 17.422 ( -5.544 1.829 3.573) 6.845 18.173 ( 5.504 1.454 3.319) 6.590 19.936 ( 3.320 0.848 -4.831) 5.923 20.003 ( 2.780 0.086 -2.595) 3.804 ======================= Grid point 165 (62/146) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -16.300 -5.590 5.366) 18.048 2.683 ( -15.237 -3.739 0.564) 15.699 2.929 ( -1.958 -2.340 0.800) 3.154 3.521 ( 4.496 4.596 -1.928) 6.712 4.059 ( 11.307 -0.964 3.800) 11.967 4.419 ( 1.923 8.628 2.429) 9.167 4.868 ( 9.687 -11.189 -7.934) 16.792 5.195 ( -27.604 -2.666 5.321) 28.238 5.998 ( 7.524 2.878 -4.501) 9.227 6.095 ( 0.570 4.117 -7.081) 8.210 6.510 ( -1.875 -3.083 -10.763) 11.352 6.694 ( 4.465 3.998 7.138) 9.321 6.934 ( -6.854 3.077 14.571) 16.394 7.906 ( -1.952 -0.171 7.564) 7.814 8.347 ( -3.780 -5.226 4.656) 7.954 9.310 ( -6.286 -3.925 -10.987) 13.252 9.507 ( -12.639 2.898 3.239) 13.365 10.697 ( 15.108 0.031 0.481) 15.116 12.383 ( -3.139 -4.079 3.504) 6.227 12.728 ( 8.392 1.902 -1.807) 8.793 13.863 ( 5.777 0.579 1.797) 6.078 14.083 ( 3.676 -0.210 -0.444) 3.708 14.516 ( -8.951 2.165 -3.953) 10.022 15.165 ( -2.966 -1.061 1.333) 3.421 16.398 ( -10.702 -6.224 4.755) 13.262 16.733 ( -0.353 0.984 -4.521) 4.640 17.410 ( -1.958 1.110 9.557) 9.818 18.295 ( 7.419 -1.546 -0.672) 7.608 19.980 ( 2.889 3.174 -4.556) 6.260 20.030 ( 1.456 1.042 -1.901) 2.611 ======================= Grid point 166 (63/146) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -19.319 -1.881 8.859) 21.336 2.304 ( -24.085 -1.074 2.992) 24.294 2.984 ( 5.327 0.428 1.445) 5.536 3.660 ( 6.169 6.119 -1.187) 8.770 4.251 ( 6.017 -4.149 1.496) 7.460 4.388 ( -34.765 -2.023 1.904) 34.875 4.538 ( 0.808 1.510 4.848) 5.142 5.072 ( 4.045 -0.113 -3.147) 5.126 5.839 ( -6.446 -7.203 1.254) 9.747 6.383 ( 10.723 2.234 -8.914) 14.122 6.479 ( 12.516 3.633 -8.066) 15.327 6.834 ( 0.354 6.028 11.300) 12.812 7.100 ( 6.817 5.798 16.779) 19.017 7.843 ( -6.167 -5.596 4.170) 9.314 8.261 ( -5.997 -2.315 8.944) 11.014 9.054 ( -8.955 -2.891 -10.318) 13.964 9.359 ( -11.763 2.646 2.850) 12.389 10.925 ( 13.075 -1.659 -2.322) 13.383 12.311 ( -4.041 -2.704 3.534) 6.011 12.904 ( 11.107 1.436 -2.072) 11.390 13.946 ( 0.051 -0.753 0.363) 0.837 14.140 ( 4.337 0.413 -0.411) 4.376 14.446 ( -0.378 5.398 -2.193) 5.839 15.054 ( -7.298 -3.552 2.280) 8.431 16.198 ( -9.123 -5.009 3.818) 11.086 16.640 ( -6.431 0.544 -10.279) 12.137 17.518 ( 4.153 0.051 16.707) 17.216 18.383 ( 8.575 -5.001 -4.860) 11.052 20.027 ( 1.077 3.064 -2.987) 4.412 20.058 ( 1.378 3.591 -2.755) 4.732 ======================= Grid point 171 (64/146) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -0.000 7.153 13.178) 14.994 2.644 ( -0.000 17.656 17.414) 24.799 3.153 ( -0.000 -0.847 6.291) 6.347 3.479 ( 0.000 -3.380 -5.656) 6.589 4.040 ( 0.000 13.843 -3.537) 14.288 4.518 ( 0.000 -5.549 -9.814) 11.274 4.725 ( -0.000 14.524 15.657) 21.356 5.118 ( -0.000 -16.147 -0.513) 16.155 5.739 ( 0.000 -21.733 -13.556) 25.614 5.907 ( -0.000 -1.730 5.193) 5.474 6.818 ( -0.000 -5.706 4.360) 7.181 7.037 ( -0.000 1.677 2.821) 3.282 7.723 ( -0.000 -4.688 8.199) 9.444 7.926 ( -0.000 12.971 7.910) 15.193 8.719 ( -0.000 4.526 3.971) 6.021 9.040 ( 0.000 5.817 -9.792) 11.389 9.066 ( -0.000 -9.115 14.737) 17.328 10.956 ( 0.000 -6.579 -5.109) 8.329 12.728 ( -0.000 7.837 11.862) 14.218 12.808 ( 0.000 -7.587 -2.786) 8.082 13.812 ( -0.000 -4.618 -0.809) 4.688 14.107 ( 0.000 2.765 -6.147) 6.740 14.347 ( 0.000 6.128 -1.675) 6.352 15.072 ( 0.000 0.326 -3.123) 3.140 16.043 ( -0.000 6.316 2.840) 6.925 16.979 ( -0.000 13.754 21.294) 25.350 17.943 ( 0.000 -5.422 -4.036) 6.759 18.439 ( 0.000 -2.600 -7.382) 7.827 19.638 ( -0.000 -7.351 -1.620) 7.527 19.922 ( 0.000 -3.023 -2.591) 3.982 ======================= Grid point 172 (65/146) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 4.731 2.707 9.413) 10.877 2.864 ( -3.241 12.902 13.550) 18.989 3.186 ( -3.733 1.452 9.482) 10.293 3.473 ( 3.936 1.566 -2.441) 4.889 4.126 ( 1.712 6.976 -10.173) 12.453 4.347 ( -0.863 -7.753 -11.582) 13.965 4.846 ( -6.598 -8.965 0.999) 11.176 5.110 ( 8.470 3.277 10.868) 14.164 5.401 ( -2.836 -18.119 -9.302) 20.564 5.984 ( 4.900 0.472 5.424) 7.325 6.718 ( -6.219 -3.569 2.199) 7.500 7.103 ( 0.320 2.392 1.050) 2.632 7.652 ( -4.094 -3.880 9.080) 10.690 8.218 ( 7.566 10.738 7.101) 14.933 8.721 ( -6.779 5.190 0.817) 8.577 9.068 ( 5.711 1.536 -8.290) 10.183 9.092 ( 2.593 -5.987 12.404) 14.015 10.804 ( -6.822 -4.689 -5.630) 10.011 12.721 ( 0.238 -7.714 0.222) 7.721 12.810 ( -6.297 4.241 8.823) 11.640 13.829 ( 6.926 -3.053 -0.768) 7.608 14.060 ( -2.463 1.315 -5.198) 5.900 14.409 ( 0.735 2.674 1.379) 3.097 15.046 ( -1.663 4.356 -4.348) 6.376 16.166 ( 5.308 3.553 3.630) 7.347 17.220 ( -1.923 11.207 17.676) 21.017 17.845 ( -2.907 -2.142 -6.401) 7.350 18.293 ( -7.795 -2.507 -4.707) 9.445 19.626 ( 6.923 -6.235 -1.391) 9.420 19.880 ( 0.773 -3.152 -2.876) 4.336 ======================= Grid point 173 (66/146) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 5.949 -0.499 6.722) 8.990 2.995 ( -2.688 10.006 8.889) 13.651 3.157 ( -6.512 -0.736 9.608) 11.630 3.602 ( 6.178 5.479 1.069) 8.327 3.998 ( -6.774 -4.518 -9.720) 12.680 4.340 ( 8.025 3.126 -11.241) 14.161 4.622 ( -7.018 -8.762 -1.405) 11.314 4.891 ( -6.408 -20.367 -11.033) 24.034 5.602 ( 16.650 0.723 13.440) 21.410 6.127 ( 3.820 4.302 5.567) 8.005 6.597 ( -5.283 -0.510 -1.643) 5.556 7.064 ( -5.936 2.254 -3.629) 7.313 7.669 ( 2.767 -5.579 11.767) 13.313 8.332 ( -10.757 6.869 4.127) 13.413 8.630 ( -9.287 6.648 -3.480) 11.940 9.151 ( 10.540 -0.609 -11.063) 15.292 9.265 ( 13.435 -4.744 17.859) 22.846 10.574 ( -11.062 -1.952 -6.316) 12.887 12.639 ( -1.244 -8.730 1.940) 9.029 12.755 ( -8.127 2.350 5.383) 10.027 13.900 ( 2.503 -2.722 -1.442) 3.969 14.005 ( -1.339 0.579 -3.346) 3.650 14.484 ( 5.892 1.582 4.129) 7.366 15.049 ( -1.149 5.784 -5.269) 7.908 16.319 ( 6.231 0.794 5.163) 8.131 17.313 ( -7.338 5.876 5.066) 10.679 17.746 ( -4.424 2.338 -2.184) 5.459 18.119 ( -6.520 -2.407 0.451) 6.964 19.705 ( 8.533 -3.779 -1.765) 9.497 19.854 ( 1.723 -2.319 -2.957) 4.134 ======================= Grid point 174 (67/146) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 1.399 -2.784 4.479) 5.456 2.998 ( -8.362 -0.788 2.671) 8.814 3.179 ( 2.515 2.565 7.233) 8.076 3.696 ( -7.176 3.145 3.732) 8.679 3.900 ( 6.770 3.743 -3.810) 8.623 4.208 ( -14.774 -6.075 -2.017) 16.101 4.511 ( 4.592 -10.831 -9.744) 15.275 4.756 ( 16.659 -0.807 -11.117) 20.043 5.903 ( 8.465 -4.051 12.126) 15.333 6.248 ( 2.182 2.690 5.958) 6.891 6.521 ( -1.548 0.839 -3.866) 4.248 6.932 ( -7.897 4.023 -8.206) 12.078 7.744 ( 3.004 -7.499 12.176) 14.612 8.080 ( -23.562 3.238 0.866) 23.799 8.520 ( -7.547 4.217 0.536) 8.662 9.250 ( 8.917 -0.444 -9.940) 13.361 9.638 ( 19.663 -2.783 13.312) 23.908 10.322 ( -12.300 0.797 -6.011) 13.714 12.540 ( -3.043 -6.112 2.899) 7.418 12.669 ( -5.113 -0.789 1.736) 5.457 13.850 ( -3.062 -1.894 -0.356) 3.618 13.974 ( -0.592 0.118 -1.846) 1.943 14.702 ( 12.526 1.917 3.568) 13.164 15.020 ( -4.064 3.447 -4.948) 7.272 16.457 ( 5.437 -0.979 6.453) 8.494 17.165 ( -11.340 2.132 -7.837) 13.948 17.688 ( -8.006 1.957 6.798) 10.684 18.059 ( 0.398 -0.797 1.409) 1.667 19.802 ( 6.239 -1.080 -1.688) 6.553 19.863 ( 3.525 -0.592 -2.665) 4.459 ======================= Grid point 175 (68/146) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -3.779 -3.568 3.107) 6.055 2.831 ( -6.658 -3.595 1.078) 7.643 3.238 ( -3.422 -0.656 1.553) 3.815 3.594 ( -6.686 1.746 -0.814) 6.958 3.867 ( -6.216 -3.033 2.171) 7.250 4.241 ( 13.666 8.767 3.577) 16.626 4.421 ( 3.458 -9.297 -4.551) 10.914 5.091 ( 23.897 7.645 -14.359) 28.908 5.928 ( -7.663 -2.994 8.006) 11.479 6.357 ( 4.829 -3.813 0.965) 6.228 6.497 ( 0.849 -0.119 3.213) 3.325 6.778 ( -9.216 6.116 -9.824) 14.793 7.574 ( -25.520 -0.745 4.243) 25.881 7.868 ( 1.848 -7.073 7.483) 10.461 8.468 ( -5.230 2.817 5.596) 8.161 9.301 ( 5.775 -1.897 -11.530) 13.034 9.929 ( -0.242 0.580 5.335) 5.372 10.173 ( 5.337 0.502 -1.348) 5.528 12.463 ( -2.240 -3.837 2.921) 5.317 12.600 ( -1.232 -1.599 -1.007) 2.255 13.794 ( -2.008 -0.298 1.851) 2.747 13.972 ( 1.768 -0.306 -1.719) 2.485 14.866 ( -6.399 5.041 -2.297) 8.464 14.991 ( 9.150 -1.721 0.687) 9.336 16.564 ( 3.466 -2.531 7.136) 8.327 16.914 ( -11.725 0.120 -9.540) 15.116 17.602 ( -8.664 0.789 9.017) 12.530 18.094 ( 4.192 -1.978 -1.335) 4.823 19.872 ( 3.355 1.866 -1.530) 4.133 19.928 ( 4.652 0.997 -1.926) 5.133 ======================= Grid point 176 (69/146) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -11.624 -2.862 3.507) 12.475 2.800 ( 0.440 1.143 2.950) 3.194 3.040 ( -13.895 -2.424 -3.094) 14.441 3.557 ( -0.342 2.497 2.196) 3.343 3.871 ( 6.496 -3.608 2.000) 7.696 4.367 ( 7.129 -12.012 -4.393) 14.643 4.633 ( 9.704 17.320 5.082) 20.494 5.443 ( 11.881 5.808 -10.729) 17.030 5.783 ( -5.125 0.373 2.124) 5.560 6.242 ( -6.642 -5.776 -7.775) 11.744 6.548 ( -10.939 1.424 -1.669) 11.157 6.692 ( 5.511 4.593 7.246) 10.196 7.234 ( -15.570 1.377 9.091) 18.082 7.874 ( 3.650 -12.098 4.694) 13.480 8.452 ( -5.729 2.791 9.106) 11.114 9.240 ( 0.211 -4.157 -14.554) 15.138 9.796 ( -13.723 5.575 1.634) 14.902 10.413 ( 16.531 -2.704 0.570) 16.760 12.416 ( -2.247 -2.264 2.938) 4.336 12.604 ( 4.735 -0.793 -2.375) 5.356 13.811 ( 2.001 0.294 3.315) 3.883 14.001 ( 3.758 -1.193 -2.022) 4.431 14.724 ( -11.501 5.937 -1.719) 13.056 15.133 ( 5.716 -1.763 0.441) 5.998 16.550 ( -8.637 -3.721 2.902) 9.842 16.717 ( -1.625 -1.901 -3.482) 4.287 17.544 ( -5.608 0.629 9.890) 11.387 18.128 ( 5.978 -4.976 -5.001) 9.247 19.948 ( 2.958 4.295 -1.417) 5.405 19.998 ( 2.817 2.012 -1.446) 3.751 ======================= Grid point 177 (70/146) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -13.885 1.681 6.574) 15.454 2.692 ( -18.938 2.635 1.048) 19.150 2.925 ( 4.291 0.772 1.313) 4.553 3.634 ( 2.883 5.298 2.077) 6.379 3.995 ( 13.253 -8.598 0.383) 15.803 4.347 ( 6.128 -10.850 -2.401) 12.690 4.898 ( -4.758 14.332 0.633) 15.114 5.288 ( -20.752 5.812 5.092) 22.144 5.912 ( -1.946 -2.747 -7.379) 8.110 6.054 ( 10.878 3.013 -8.625) 14.206 6.405 ( -2.389 -0.090 0.219) 2.401 6.916 ( 5.540 4.703 10.394) 12.682 7.192 ( -1.087 2.722 12.534) 12.872 7.798 ( 1.217 -15.155 1.235) 15.254 8.445 ( -6.611 2.985 13.455) 15.285 9.055 ( -4.425 -4.330 -15.051) 16.274 9.641 ( -13.367 6.913 2.206) 15.210 10.640 ( 14.603 -4.152 -2.779) 15.434 12.373 ( -3.116 -1.017 2.661) 4.222 12.712 ( 9.737 -0.637 -1.602) 9.889 13.889 ( 3.927 -1.196 2.593) 4.855 14.048 ( 5.130 -1.917 -1.924) 5.804 14.612 ( -9.140 10.021 -0.265) 13.566 15.130 ( -3.296 -3.085 -0.334) 4.527 16.340 ( -10.323 -2.702 0.509) 10.683 16.673 ( -1.979 -3.103 -0.098) 3.682 17.567 ( 0.114 -0.174 12.062) 12.064 18.139 ( 7.441 -7.213 -8.212) 13.222 20.025 ( 1.425 4.094 -2.008) 4.778 20.051 ( 2.016 3.504 -1.229) 4.225 ======================= Grid point 183 (71/146) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -0.000 -0.664 7.841) 7.869 3.057 ( -0.000 6.850 9.323) 11.569 3.376 ( -0.000 7.598 14.851) 16.682 3.430 ( 0.000 1.955 -2.650) 3.293 4.113 ( 0.000 7.061 -10.106) 12.329 4.167 ( 0.000 -10.393 -15.888) 18.985 4.735 ( -0.000 -18.784 -2.548) 18.956 5.177 ( -0.000 7.948 12.352) 14.688 5.261 ( 0.000 -11.897 -6.106) 13.373 5.969 ( -0.000 1.959 5.285) 5.637 6.731 ( -0.000 -7.511 3.098) 8.125 7.164 ( 0.000 7.495 -0.448) 7.509 7.680 ( -0.000 -6.754 2.675) 7.265 8.280 ( -0.000 9.346 9.146) 13.077 8.860 ( -0.000 3.573 4.190) 5.507 8.952 ( 0.000 0.796 -10.834) 10.863 9.096 ( -0.000 -4.175 9.159) 10.066 10.794 ( 0.000 -2.925 -4.950) 5.749 12.623 ( -0.000 -7.982 -0.564) 8.002 12.990 ( -0.000 3.990 8.278) 9.190 13.718 ( -0.000 -3.678 0.134) 3.681 14.052 ( 0.000 -0.084 -4.751) 4.752 14.455 ( 0.000 4.334 0.657) 4.384 15.074 ( 0.000 3.547 -2.935) 4.603 16.174 ( -0.000 2.997 3.420) 4.547 17.443 ( -0.000 7.788 14.265) 16.253 17.811 ( 0.000 -0.491 -7.337) 7.354 18.308 ( 0.000 -0.904 -6.525) 6.587 19.499 ( -0.000 -6.036 1.676) 6.264 19.825 ( 0.000 -2.929 -2.105) 3.607 ======================= Grid point 184 (72/146) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 4.387 -2.279 7.088) 8.642 3.137 ( -2.267 2.947 4.810) 6.080 3.391 ( -6.958 2.626 7.206) 10.355 3.556 ( 5.129 4.313 3.427) 7.527 3.953 ( -3.145 -5.501 -11.116) 12.796 4.174 ( 6.331 6.741 -10.733) 14.167 4.535 ( -1.345 -13.603 -2.370) 13.873 4.970 ( -16.638 -7.682 -2.019) 18.436 5.427 ( 12.571 -0.306 11.855) 17.282 6.103 ( 6.605 4.880 3.317) 8.857 6.641 ( -3.465 -5.875 0.713) 6.858 7.182 ( -4.871 5.133 -3.563) 7.923 7.612 ( 0.749 -6.926 1.626) 7.154 8.481 ( 5.803 5.641 2.477) 8.464 8.798 ( -4.661 1.678 -1.302) 5.122 8.956 ( -2.004 2.277 -6.844) 7.486 9.162 ( 7.248 -4.965 13.885) 16.431 10.683 ( -6.753 -0.395 -5.111) 8.478 12.561 ( 0.886 -6.653 0.732) 6.752 12.966 ( -8.863 0.579 3.644) 9.600 13.768 ( 7.234 -2.099 -0.241) 7.537 14.015 ( -1.246 0.587 -2.601) 2.943 14.484 ( -0.385 1.549 1.965) 2.532 15.092 ( -0.459 4.657 -2.656) 5.381 16.261 ( 4.371 0.913 4.381) 6.255 17.499 ( -6.871 2.643 0.677) 7.392 17.784 ( 1.362 1.748 -2.457) 3.309 18.211 ( -6.182 -0.202 -2.672) 6.738 19.528 ( 6.829 -3.729 2.323) 8.120 19.799 ( 0.800 -1.561 -0.996) 2.017 ======================= Grid point 185 (73/146) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 4.552 -3.198 5.598) 7.892 3.088 ( -4.301 -2.384 -3.912) 6.284 3.303 ( -7.936 -2.504 9.640) 12.735 3.701 ( 8.633 -3.644 -9.716) 13.498 3.855 ( -2.743 6.539 5.314) 8.861 4.320 ( 5.869 8.414 -9.709) 14.125 4.427 ( 1.554 -2.265 -1.277) 3.029 4.581 ( -16.777 -4.665 1.370) 17.467 5.723 ( 14.627 -5.340 12.999) 20.284 6.265 ( 3.725 2.246 2.708) 5.124 6.524 ( -3.157 -1.881 -4.326) 5.676 7.068 ( -7.802 3.584 -7.478) 11.386 7.608 ( 5.830 -9.281 2.298) 11.199 8.440 ( -14.409 0.603 -0.504) 14.430 8.774 ( -10.377 5.936 5.889) 13.326 8.925 ( 13.143 -2.232 -16.293) 21.051 9.414 ( 14.300 -3.716 16.378) 22.057 10.506 ( -10.747 2.371 -4.851) 12.027 12.522 ( -0.156 -4.475 1.883) 4.857 12.799 ( -9.639 -1.951 -0.536) 9.849 13.841 ( 2.657 -0.894 -1.056) 2.996 13.991 ( -1.875 1.264 -1.286) 2.601 14.550 ( 6.947 -0.933 3.588) 7.874 15.102 ( -2.465 4.734 -2.551) 5.916 16.382 ( 5.812 -1.561 5.838) 8.384 17.313 ( -10.854 1.514 -11.449) 15.849 17.823 ( 0.217 -0.468 3.719) 3.755 18.087 ( -6.262 -0.477 -0.049) 6.280 19.660 ( 8.551 -0.566 1.794) 8.756 19.812 ( 1.657 0.631 0.101) 1.776 ======================= Grid point 186 (74/146) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 0.686 -3.286 3.084) 4.559 2.915 ( -7.270 -3.604 -4.373) 9.218 3.257 ( 2.384 -6.513 5.473) 8.835 3.605 ( -5.424 -3.428 -8.677) 10.792 3.998 ( 7.581 -1.407 0.585) 7.732 4.168 ( -17.212 2.868 2.484) 17.625 4.496 ( -0.112 14.845 10.824) 18.373 4.699 ( 19.901 8.153 -11.479) 24.378 5.950 ( 7.882 -7.440 11.839) 16.051 6.262 ( -1.074 -5.681 -1.499) 5.973 6.490 ( 1.357 2.098 -1.497) 2.913 6.926 ( -7.020 5.759 -9.661) 13.259 7.630 ( 6.940 -12.318 2.045) 14.285 8.078 ( -23.725 -1.547 -2.913) 23.954 8.701 ( -9.054 3.442 12.571) 15.870 9.029 ( 11.763 -1.805 -18.089) 21.653 9.750 ( 17.195 -3.660 11.885) 21.221 10.312 ( -12.277 4.787 -3.853) 13.729 12.488 ( -1.774 -1.851 2.502) 3.582 12.624 ( -5.665 -2.727 -3.179) 7.045 13.848 ( -1.185 0.531 1.569) 2.037 13.950 ( -1.936 0.797 -2.702) 3.419 14.739 ( 13.299 -2.694 2.946) 13.885 15.058 ( -6.324 4.634 -1.640) 8.010 16.495 ( 5.476 -3.881 6.894) 9.622 17.047 ( -11.470 0.822 -13.740) 17.917 17.807 ( -5.346 -1.734 8.688) 10.347 17.996 ( -0.872 -2.590 -4.480) 5.248 19.813 ( 6.670 2.068 1.530) 7.149 19.869 ( 2.709 2.788 0.424) 3.911 ======================= Grid point 187 (75/146) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -4.024 -0.597 2.537) 4.795 2.771 ( -0.801 -2.157 -2.526) 3.417 3.285 ( -4.881 -0.106 4.282) 6.494 3.395 ( -0.040 -7.981 -6.586) 10.347 3.985 ( -11.335 4.704 4.440) 13.051 4.070 ( 8.849 -8.517 -4.398) 13.045 4.813 ( 2.728 23.291 13.574) 27.095 5.081 ( 22.396 9.605 -13.046) 27.641 5.956 ( -6.011 -5.593 8.965) 12.157 6.143 ( -0.479 -8.581 -9.280) 12.648 6.610 ( 7.960 0.467 9.410) 12.334 6.809 ( -8.584 7.927 -9.141) 14.835 7.575 ( -11.360 -7.355 5.087) 14.457 7.673 ( -4.801 -9.901 -4.448) 11.869 8.686 ( -7.384 2.655 15.804) 17.645 9.035 ( 6.013 -4.045 -18.541) 19.907 10.042 ( 7.612 -0.470 7.320) 10.571 10.154 ( -3.856 3.260 -3.969) 6.423 12.462 ( -2.067 0.133 2.743) 3.438 12.528 ( -0.094 -1.823 -3.706) 4.131 13.845 ( -1.826 1.210 3.839) 4.420 13.924 ( 1.288 -0.540 -3.811) 4.059 14.942 ( 6.003 -1.412 2.084) 6.510 14.976 ( -2.962 4.125 -1.241) 5.228 16.575 ( 3.680 -5.996 7.595) 10.353 16.769 ( -10.837 -0.663 -11.541) 15.846 17.739 ( -8.103 -0.399 11.097) 13.746 17.937 ( 3.715 -5.877 -8.765) 11.188 19.939 ( 3.420 3.973 1.512) 5.456 19.959 ( 3.595 3.623 -0.486) 5.127 ======================= Grid point 188 (76/146) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -9.131 4.607 4.040) 10.996 2.821 ( 7.026 -1.875 -1.669) 7.461 3.064 ( -18.428 6.634 1.824) 19.671 3.476 ( 16.110 -10.923 -0.754) 19.478 3.888 ( -7.009 2.793 1.895) 7.780 4.108 ( 8.114 -8.666 -2.418) 12.115 5.138 ( -1.300 21.082 7.992) 22.583 5.439 ( 14.876 7.306 -9.850) 19.279 5.831 ( -7.270 1.756 2.505) 7.888 5.995 ( -0.092 -7.515 -5.708) 9.438 6.607 ( -15.864 5.306 -2.463) 16.908 6.857 ( 11.244 -1.932 9.410) 14.789 7.343 ( -8.258 -0.232 6.466) 10.491 7.569 ( 4.615 -15.899 -3.351) 16.891 8.696 ( -6.885 2.031 17.960) 19.341 8.925 ( 1.136 -5.302 -18.148) 18.941 9.971 ( -13.711 9.409 1.900) 16.737 10.313 ( 15.361 -5.926 -2.418) 16.641 12.442 ( -3.304 1.592 1.740) 4.060 12.550 ( 6.515 -1.492 -1.368) 6.822 13.866 ( 0.293 0.331 3.580) 3.607 13.930 ( 3.530 -1.934 -3.283) 5.194 14.879 ( -9.184 8.870 0.965) 12.805 15.077 ( 5.385 -3.084 -1.168) 6.314 16.498 ( -10.652 -1.066 -2.895) 11.090 16.628 ( 2.769 -7.273 3.941) 8.723 17.686 ( -5.521 0.337 10.572) 11.932 17.891 ( 5.640 -7.301 -10.027) 13.625 20.032 ( 1.566 4.243 -0.906) 4.612 20.042 ( 2.589 3.502 -0.133) 4.357 ======================= Grid point 195 (77/146) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -0.000 -3.266 8.245) 8.868 3.190 ( -0.000 -2.468 -0.030) 2.469 3.408 ( 0.000 1.156 -6.976) 7.072 3.582 ( -0.000 -5.474 2.698) 6.103 3.947 ( -0.000 5.666 3.571) 6.698 4.129 ( 0.000 7.095 -8.275) 10.900 4.438 ( -0.000 -6.172 -0.183) 6.175 5.100 ( -0.000 -1.272 1.432) 1.916 5.363 ( -0.000 -2.910 11.765) 12.120 6.091 ( -0.000 3.915 0.903) 4.018 6.607 ( -0.000 -7.946 2.019) 8.198 7.248 ( 0.000 3.355 -5.594) 6.523 7.528 ( 0.000 -5.700 -6.486) 8.635 8.364 ( 0.000 -1.693 -10.463) 10.599 8.941 ( -0.000 -0.690 2.610) 2.700 8.974 ( -0.000 5.549 8.047) 9.775 9.122 ( -0.000 -3.696 7.087) 7.993 10.716 ( 0.000 1.443 -4.695) 4.912 12.507 ( -0.000 -3.426 0.988) 3.565 13.052 ( 0.000 -2.635 -1.418) 2.992 13.680 ( -0.000 -1.026 1.353) 1.698 14.025 ( 0.000 1.663 -0.931) 1.906 14.510 ( -0.000 0.271 0.286) 0.394 15.122 ( 0.000 3.077 -0.360) 3.098 16.259 ( -0.000 0.564 4.627) 4.661 17.573 ( 0.000 -3.858 -1.907) 4.304 17.731 ( 0.000 2.954 -9.051) 9.521 18.268 ( 0.000 2.551 -1.729) 3.082 19.460 ( -0.000 -2.640 5.932) 6.493 19.785 ( -0.000 0.040 1.175) 1.175 ======================= Grid point 196 (78/146) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 3.418 -4.515 7.441) 9.351 3.083 ( -3.380 -5.229 -5.846) 8.540 3.387 ( -3.035 -8.301 -2.710) 9.245 3.485 ( 3.685 -3.517 -6.466) 8.232 4.027 ( -4.370 7.349 6.090) 10.497 4.215 ( 6.775 8.100 -6.190) 12.241 4.448 ( -0.352 7.070 5.757) 9.124 4.953 ( -17.924 4.002 5.688) 19.226 5.508 ( 11.400 -7.254 11.983) 18.061 6.185 ( 6.822 -0.719 -0.480) 6.877 6.529 ( -2.193 -3.782 -0.765) 4.438 7.143 ( -6.190 -1.409 -9.518) 11.441 7.450 ( 2.571 -4.216 -7.895) 9.312 8.374 ( 11.432 -3.676 -14.486) 18.816 8.816 ( -9.169 -1.510 -0.228) 9.296 9.025 ( -7.017 2.200 6.234) 9.640 9.263 ( 10.826 -2.378 13.160) 17.205 10.657 ( -6.183 3.844 -4.107) 8.359 12.503 ( 0.472 -0.358 1.622) 1.727 12.910 ( -7.955 -4.814 -4.712) 10.424 13.750 ( 5.852 0.477 0.347) 5.882 14.035 ( -1.260 2.561 0.316) 2.872 14.496 ( 0.108 -2.394 0.974) 2.587 15.152 ( -0.045 2.577 0.236) 2.589 16.323 ( 3.367 -1.213 5.914) 6.913 17.394 ( -7.646 -4.770 -11.628) 14.711 17.748 ( 3.887 0.281 -6.768) 7.810 18.233 ( -6.515 2.630 1.222) 7.131 19.548 ( 6.349 0.024 6.300) 8.944 19.814 ( 0.758 1.817 2.719) 3.357 ======================= Grid point 197 (79/146) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 3.290 -6.089 2.841) 7.482 2.940 ( -3.181 -3.114 -6.591) 7.954 3.146 ( -4.113 -15.209 -1.468) 15.823 3.547 ( 6.649 0.042 -5.745) 8.787 4.009 ( -6.380 4.264 0.420) 7.685 4.423 ( 10.204 6.052 -4.538) 12.702 4.513 ( -10.069 8.439 2.926) 13.459 4.847 ( -8.121 20.028 16.503) 27.193 5.710 ( 14.283 -12.663 9.414) 21.284 6.216 ( 0.528 -7.373 0.089) 7.392 6.482 ( -0.135 2.265 -3.589) 4.246 6.973 ( -3.042 -0.457 -11.119) 11.536 7.413 ( 4.154 -5.766 -6.916) 9.916 8.333 ( -8.018 -4.945 -8.263) 12.530 8.687 ( 5.400 -1.990 -12.916) 14.140 8.967 ( -7.236 0.275 11.737) 13.791 9.521 ( 13.148 -3.795 10.704) 17.374 10.544 ( -9.943 6.398 -2.498) 12.085 12.524 ( -0.845 2.157 1.708) 2.878 12.683 ( -7.786 -4.746 -5.204) 10.499 13.843 ( 2.830 2.325 -1.002) 3.797 14.021 ( -3.802 2.560 -0.277) 4.592 14.528 ( 7.642 -5.043 2.638) 9.529 15.163 ( -1.986 2.297 0.401) 3.062 16.411 ( 4.468 -3.813 6.841) 9.017 17.118 ( -8.434 -4.248 -15.132) 17.837 17.758 ( 3.332 -2.296 -6.477) 7.638 18.128 ( -9.664 1.534 4.144) 10.626 19.727 ( 7.775 2.805 4.693) 9.505 19.878 ( 1.480 3.140 3.092) 4.648 ======================= Grid point 198 (80/146) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 2.054 -8.193 -3.525) 9.153 2.856 ( -3.307 2.809 -2.223) 4.875 3.012 ( 7.369 -15.033 -1.274) 16.791 3.596 ( -1.909 3.711 -1.805) 4.547 3.915 ( -5.022 0.116 -2.139) 5.460 4.282 ( -14.664 2.642 3.614) 15.332 4.766 ( 17.222 11.301 -7.537) 21.934 5.146 ( -0.606 23.850 17.673) 29.690 5.823 ( 9.712 -14.573 1.619) 17.587 6.116 ( -3.625 -6.226 2.002) 7.478 6.506 ( 5.044 -2.878 0.192) 5.811 6.900 ( -1.279 5.969 -10.259) 11.938 7.383 ( 4.905 -7.670 -6.368) 11.110 7.961 ( -20.709 -5.332 -3.939) 21.744 8.723 ( 9.653 -3.358 -16.581) 19.478 8.933 ( -6.165 -1.208 14.483) 15.787 9.767 ( 14.961 -5.891 4.722) 16.758 10.422 ( -11.837 8.804 -0.057) 14.752 12.485 ( -2.721 -3.111 -3.203) 5.229 12.562 ( -3.269 3.849 0.781) 5.110 13.877 ( -0.008 2.096 -2.244) 3.070 13.964 ( -4.933 2.441 0.869) 5.572 14.685 ( 13.726 -5.253 1.959) 14.827 15.133 ( -4.486 2.413 0.734) 5.146 16.477 ( 4.311 -6.971 6.280) 10.325 16.844 ( -7.977 -3.365 -12.842) 15.487 17.736 ( 3.097 -3.777 -7.910) 9.297 17.999 ( -10.585 0.941 7.019) 12.736 19.907 ( 5.754 4.220 2.702) 7.630 19.961 ( 2.000 3.747 2.203) 4.785 ======================= Grid point 207 (81/146) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -0.000 -7.756 6.504) 10.123 3.014 ( 0.000 -6.727 -5.872) 8.929 3.329 ( 0.000 2.907 -7.922) 8.439 3.341 ( 0.000 -15.191 -4.412) 15.819 4.179 ( -0.000 6.566 1.793) 6.807 4.181 ( 0.000 6.901 -5.357) 8.736 4.650 ( -0.000 16.923 15.530) 22.969 5.238 ( -0.000 8.556 8.039) 11.740 5.375 ( -0.000 -12.990 9.945) 16.360 6.063 ( -0.000 -5.966 -1.121) 6.070 6.520 ( 0.000 -0.608 -0.211) 0.643 7.121 ( 0.000 -4.582 -11.353) 12.243 7.310 ( 0.000 -0.707 -16.326) 16.342 8.127 ( 0.000 -3.272 -13.181) 13.582 8.876 ( 0.000 -6.160 -2.198) 6.541 9.137 ( -0.000 -5.104 8.160) 9.624 9.221 ( -0.000 3.343 11.033) 11.528 10.733 ( 0.000 5.755 -3.408) 6.689 12.527 ( -0.000 3.548 2.063) 4.104 12.880 ( 0.000 -6.907 -8.401) 10.876 13.712 ( -0.000 1.529 2.695) 3.098 14.083 ( 0.000 3.560 0.782) 3.645 14.473 ( 0.000 -3.228 -0.885) 3.347 15.169 ( -0.000 0.283 1.588) 1.613 16.324 ( -0.000 -1.764 7.481) 7.686 17.284 ( 0.000 -12.895 -13.847) 18.921 17.686 ( 0.000 5.064 -10.582) 11.732 18.332 ( 0.000 4.421 -0.222) 4.427 19.547 ( -0.000 1.035 9.606) 9.662 19.852 ( -0.000 2.547 4.082) 4.811 ======================= Grid point 208 (82/146) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 3.096 -11.376 0.903) 11.824 2.884 ( -2.412 -8.725 -5.650) 10.671 3.095 ( -5.328 -11.610 -3.935) 13.366 3.396 ( 6.131 3.089 -4.204) 8.050 4.175 ( -4.654 7.887 -2.683) 9.543 4.307 ( 6.384 7.183 -3.312) 10.165 4.845 ( -9.636 10.280 12.482) 18.824 5.250 ( -4.078 -2.194 9.579) 10.640 5.414 ( 6.915 -0.261 10.286) 12.397 6.078 ( 6.098 -7.387 1.770) 9.741 6.505 ( -2.370 2.394 -3.264) 4.691 6.926 ( -3.775 -2.561 -13.120) 13.890 7.258 ( 4.041 0.137 -15.421) 15.942 8.115 ( 9.701 -3.713 -12.608) 16.336 8.696 ( -8.702 -6.401 -5.210) 11.993 9.103 ( -3.172 -5.360 9.856) 11.659 9.372 ( 7.390 -2.174 7.779) 10.948 10.735 ( -5.380 7.954 -1.731) 9.757 12.588 ( -0.930 5.630 1.463) 5.891 12.702 ( -4.724 -6.126 -7.315) 10.647 13.801 ( 4.665 3.266 1.651) 5.930 14.103 ( -2.389 3.474 0.200) 4.221 14.427 ( 0.443 -4.644 0.308) 4.675 15.181 ( 0.647 -1.154 1.290) 1.847 16.370 ( 1.650 -3.770 8.873) 9.781 17.023 ( -2.428 -12.933 -16.162) 20.841 17.672 ( 0.650 4.026 -11.082) 11.808 18.320 ( -6.378 4.251 1.451) 7.801 19.682 ( 5.425 3.032 8.966) 10.909 19.913 ( 0.738 2.763 4.088) 4.989 ======================= Grid point 209 (83/146) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 2.813 -13.721 -6.418) 15.407 2.713 ( 3.532 -15.357 -3.046) 16.050 2.953 ( -2.997 -0.277 -1.962) 3.593 3.518 ( 5.837 3.799 -1.692) 7.167 4.128 ( -8.906 8.727 -2.586) 12.735 4.469 ( 3.088 3.578 -1.682) 5.017 4.731 ( -8.598 4.618 4.714) 10.839 5.249 ( 10.596 -17.444 0.814) 20.426 5.710 ( 1.381 19.736 18.020) 26.761 6.061 ( 1.166 -10.172 1.385) 10.332 6.443 ( -2.022 -0.345 -4.083) 4.569 6.865 ( 2.900 4.752 -9.574) 11.075 7.225 ( 2.942 0.150 -13.514) 13.831 8.086 ( -3.038 -6.748 -9.873) 12.339 8.487 ( -0.161 -3.759 -10.259) 10.927 9.065 ( -2.736 -6.399 12.711) 14.491 9.515 ( 10.074 -6.218 2.977) 12.207 10.696 ( -8.785 9.784 0.736) 13.169 12.477 ( -4.316 -5.182 -5.900) 8.960 12.682 ( -2.256 7.968 2.331) 8.603 13.900 ( 0.540 4.665 -1.454) 4.916 14.075 ( -3.775 2.801 0.133) 4.702 14.450 ( 7.695 -5.077 2.562) 9.568 15.174 ( -0.226 -2.664 0.696) 2.762 16.393 ( 1.212 -7.553 5.645) 9.507 16.784 ( -1.169 -8.816 -11.314) 14.391 17.636 ( 0.045 2.150 -11.666) 11.863 18.236 ( -9.513 3.186 5.093) 11.251 19.875 ( 6.024 4.696 5.797) 9.589 19.981 ( 1.362 2.599 3.036) 4.222 ======================= Grid point 219 (84/146) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -0.000 -16.344 -3.582) 16.732 2.742 ( 0.000 -19.148 -6.109) 20.099 3.024 ( 0.000 -3.894 -3.694) 5.367 3.396 ( 0.000 8.019 1.314) 8.126 4.253 ( 0.000 4.888 -2.527) 5.503 4.321 ( 0.000 10.527 -5.176) 11.730 4.950 ( -0.000 -34.693 -1.771) 34.738 5.137 ( -0.000 7.132 12.748) 14.608 5.700 ( -0.000 22.292 16.537) 27.756 5.977 ( -0.000 -3.400 3.401) 4.810 6.549 ( 0.000 4.589 -3.375) 5.696 6.861 ( 0.000 -3.299 -11.438) 11.905 7.100 ( 0.000 4.891 -21.766) 22.308 7.923 ( 0.000 -3.988 -7.984) 8.925 8.653 ( 0.000 -10.040 -6.680) 12.059 9.116 ( -0.000 -7.785 7.999) 11.162 9.325 ( -0.000 -3.613 4.545) 5.806 10.860 ( 0.000 9.538 -0.713) 9.565 12.609 ( 0.000 -7.943 -9.203) 12.157 12.693 ( -0.000 9.361 2.974) 9.822 13.807 ( -0.000 3.215 4.146) 5.247 14.169 ( 0.000 4.031 0.408) 4.052 14.384 ( 0.000 -3.402 -1.100) 3.575 15.155 ( -0.000 -3.248 0.181) 3.253 16.389 ( -0.000 -4.758 12.792) 13.648 16.777 ( 0.000 -16.114 -17.013) 23.433 17.646 ( 0.000 6.396 -13.727) 15.144 18.432 ( 0.000 6.278 -0.686) 6.316 19.731 ( -0.000 3.148 11.411) 11.838 19.957 ( -0.000 2.135 3.882) 4.430 ======================= Grid point 220 (85/146) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 3.554 -18.956 -8.116) 20.924 2.464 ( 0.349 -24.024 -5.595) 24.670 2.990 ( -1.812 2.983 -1.944) 3.995 3.521 ( 2.432 8.078 3.287) 9.054 4.288 ( -0.713 4.514 -1.919) 4.957 4.384 ( 4.051 1.239 -5.095) 6.626 4.638 ( 6.054 -30.405 -4.800) 31.371 5.145 ( -9.746 2.822 6.901) 12.271 5.961 ( -0.499 -5.295 0.170) 5.321 6.068 ( 2.108 22.526 19.208) 29.678 6.507 ( -5.742 3.838 -3.654) 7.814 6.799 ( 1.806 3.781 -8.803) 9.749 7.079 ( 4.915 5.674 -18.913) 20.348 7.898 ( 6.281 -5.419 -7.340) 11.077 8.446 ( -5.235 -9.376 -8.499) 13.694 9.076 ( -0.447 -9.210 8.684) 12.667 9.335 ( 4.884 -7.052 0.617) 8.600 10.919 ( -4.631 10.531 0.881) 11.538 12.442 ( -3.174 -6.987 -7.133) 10.478 12.816 ( -0.325 10.652 3.069) 11.090 13.901 ( 3.587 2.473 2.545) 5.046 14.163 ( -4.126 2.584 -0.265) 4.875 14.371 ( 1.377 -0.371 1.350) 1.964 15.119 ( 0.888 -5.052 -1.642) 5.386 16.365 ( -4.078 -9.848 3.720) 11.289 16.590 ( 5.507 -10.622 -3.377) 12.432 17.604 ( -1.119 5.938 -15.779) 16.897 18.439 ( -5.941 5.998 1.170) 8.523 19.878 ( 4.133 4.074 9.419) 11.063 20.003 ( 0.698 1.494 2.902) 3.338 ======================= Grid point 231 (86/146) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.000 -23.054 -9.070) 24.774 2.149 ( 0.000 -29.214 -7.134) 30.072 3.045 ( 0.000 5.745 -0.600) 5.777 3.552 ( -0.000 -7.026 0.452) 7.041 4.010 ( -0.000 -30.777 -0.169) 30.778 4.432 ( 0.000 1.971 -1.017) 2.218 4.434 ( 0.000 9.217 -8.759) 12.715 5.315 ( -0.000 1.788 5.823) 6.091 5.932 ( 0.000 -3.242 -2.870) 4.330 6.317 ( -0.000 13.170 12.141) 17.912 6.588 ( 0.000 5.341 -6.017) 8.045 6.847 ( 0.000 13.005 1.005) 13.044 6.959 ( 0.000 7.129 -17.681) 19.064 7.745 ( 0.000 -6.014 -4.165) 7.316 8.319 ( 0.000 -12.038 -10.560) 16.013 9.034 ( -0.000 -9.632 6.235) 11.474 9.207 ( -0.000 -9.099 -1.766) 9.269 11.071 ( 0.000 10.688 1.020) 10.736 12.352 ( 0.000 -7.248 -6.589) 9.795 12.947 ( -0.000 11.102 3.650) 11.686 13.895 ( -0.000 -1.220 3.159) 3.386 14.234 ( -0.000 1.045 0.456) 1.140 14.382 ( -0.000 4.582 2.319) 5.136 15.046 ( 0.000 -3.408 -5.279) 6.284 16.275 ( 0.000 -13.912 -12.360) 18.610 16.483 ( -0.000 -7.813 22.058) 23.401 17.564 ( 0.000 7.103 -20.652) 21.840 18.560 ( 0.000 7.541 -1.053) 7.614 19.944 ( -0.000 3.193 10.946) 11.402 20.024 ( -0.000 0.634 2.148) 2.239 ======================= Grid point 268 (87/146) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.000 -0.000 31.185) 31.185 1.248 ( -0.000 -0.000 31.185) 31.185 2.304 ( -0.000 -0.000 55.049) 55.049 3.297 ( 0.000 0.000 -1.484) 1.484 4.323 ( 0.000 0.000 -10.049) 10.049 4.323 ( 0.000 0.000 -10.049) 10.049 4.481 ( 0.000 0.000 -6.390) 6.390 5.790 ( -0.000 -0.000 8.293) 8.293 5.790 ( -0.000 -0.000 8.293) 8.293 6.580 ( -0.000 -0.000 5.421) 5.421 6.580 ( -0.000 0.000 5.421) 5.421 7.440 ( -0.000 -0.000 3.140) 3.140 7.440 ( -0.000 0.000 3.140) 3.140 7.594 ( 0.000 0.000 -13.550) 13.550 8.632 ( 0.000 0.000 -2.789) 2.789 8.632 ( 0.000 0.000 -2.789) 2.789 10.790 ( 0.000 0.000 -0.920) 0.920 11.382 ( 0.000 0.000 -4.143) 4.143 12.137 ( -0.000 -0.000 5.953) 5.953 12.137 ( -0.000 -0.000 5.953) 5.953 13.818 ( 0.000 0.000 -7.650) 7.650 13.818 ( 0.000 0.000 -7.650) 7.650 14.098 ( -0.000 -0.000 10.035) 10.035 15.421 ( 0.000 0.000 -4.534) 4.534 15.714 ( -0.000 -0.000 19.802) 19.802 15.714 ( -0.000 -0.000 19.802) 19.802 18.646 ( 0.000 0.000 -10.028) 10.028 18.646 ( 0.000 0.000 -10.028) 10.028 19.927 ( -0.000 -0.000 2.226) 2.226 20.024 ( 0.000 0.000 -0.278) 0.278 ======================= Grid point 269 (88/146) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 9.877 5.703 25.446) 27.885 1.613 ( 11.324 6.538 28.133) 31.023 2.876 ( 19.130 11.045 44.313) 49.514 3.255 ( -2.760 -1.593 -0.697) 3.262 4.065 ( -7.391 -4.267 -12.806) 15.389 4.333 ( -1.536 -0.887 -5.732) 6.000 4.519 ( 7.078 4.087 -5.470) 9.835 5.679 ( -12.615 -7.283 8.111) 16.672 5.832 ( -2.587 -1.494 10.023) 10.459 6.576 ( 0.145 0.084 0.057) 0.177 6.732 ( 4.611 2.662 5.768) 7.850 7.342 ( -3.629 -2.095 4.197) 5.931 7.400 ( -6.468 -3.734 -11.091) 13.371 7.634 ( 7.036 4.062 2.443) 8.483 8.596 ( 1.028 0.594 -5.193) 5.327 8.735 ( 7.486 4.322 -2.532) 9.008 9.982 ( -43.001 -24.827 27.026) 56.532 11.287 ( -5.725 -3.305 -5.309) 8.479 12.177 ( 1.729 0.998 6.087) 6.405 12.809 ( 27.030 15.606 -8.714) 32.405 13.737 ( 2.105 1.215 -10.080) 10.369 13.831 ( 0.158 0.092 -1.318) 1.331 14.321 ( 14.313 8.263 -1.508) 16.596 15.218 ( -12.758 -7.366 0.345) 14.735 15.856 ( 5.048 2.914 13.819) 14.998 16.037 ( 9.460 5.461 21.826) 24.407 18.458 ( -6.768 -3.908 -13.240) 15.375 18.508 ( -8.716 -5.032 -2.246) 10.312 19.950 ( 1.507 0.870 -0.941) 1.979 20.020 ( -0.200 -0.116 -0.553) 0.599 ======================= Grid point 270 (89/146) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 12.279 7.089 17.379) 22.429 2.056 ( 12.008 6.933 23.485) 27.273 3.183 ( -3.205 -1.851 1.452) 3.976 3.611 ( 22.378 12.920 21.207) 33.428 3.839 ( -4.927 -2.845 -12.210) 13.470 4.283 ( 0.381 0.220 0.404) 0.597 4.691 ( 9.079 5.242 -0.341) 10.490 5.373 ( -16.497 -9.524 8.328) 20.789 5.836 ( -2.522 -1.456 10.575) 10.969 6.486 ( -6.026 -3.479 -8.284) 10.819 6.747 ( -6.158 -3.555 -3.609) 7.974 7.259 ( 0.571 0.330 -2.980) 3.052 7.363 ( 0.968 0.559 8.964) 9.034 7.775 ( 2.558 1.477 4.063) 5.023 8.575 ( 0.339 0.196 -7.458) 7.468 8.931 ( 10.094 5.828 -1.247) 11.722 9.462 ( -19.545 -11.284 30.643) 38.057 11.059 ( -10.141 -5.855 -7.618) 13.970 12.273 ( 2.703 1.561 6.019) 6.780 13.093 ( 3.676 2.123 -3.698) 5.630 13.792 ( 8.246 4.761 -10.150) 13.917 13.841 ( 1.246 0.719 0.351) 1.481 14.628 ( 13.440 7.759 -5.366) 16.420 14.916 ( -13.123 -7.576 0.901) 15.179 16.059 ( 5.039 2.909 11.747) 13.108 16.399 ( 9.614 5.551 20.175) 23.028 18.176 ( -9.266 -5.350 -15.764) 19.052 18.293 ( -10.022 -5.786 4.351) 12.364 19.979 ( 2.372 1.370 -4.075) 4.910 20.008 ( -0.240 -0.139 -1.470) 1.496 ======================= Grid point 271 (90/146) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 11.135 6.429 10.657) 16.700 2.450 ( 10.323 5.960 18.094) 21.667 3.146 ( -1.669 -0.964 3.945) 4.391 3.691 ( -1.574 -0.909 -9.254) 9.431 3.962 ( 3.280 1.893 -5.226) 6.453 4.443 ( 11.291 6.519 1.725) 13.151 4.744 ( -11.704 -6.757 7.736) 15.572 5.297 ( 9.900 5.716 11.702) 16.359 5.857 ( -1.579 -0.912 9.922) 10.088 6.259 ( -6.149 -3.550 -10.514) 12.686 6.474 ( -11.381 -6.571 -9.461) 16.193 7.314 ( 2.495 1.440 -1.026) 3.058 7.436 ( -1.011 -0.584 10.498) 10.563 7.777 ( -5.749 -3.319 6.245) 9.114 8.518 ( -0.480 -0.277 -7.792) 7.812 9.123 ( 3.728 2.152 8.085) 9.160 9.455 ( 4.403 2.542 18.017) 18.721 10.740 ( -12.291 -7.096 -10.226) 17.493 12.363 ( 1.864 1.076 4.968) 5.414 13.036 ( -6.203 -3.581 1.255) 7.271 13.877 ( 1.388 0.801 0.010) 1.602 13.936 ( 7.255 4.189 -7.347) 11.143 14.674 ( -6.321 -3.649 -1.202) 7.397 14.867 ( 9.852 5.688 -2.465) 11.640 16.231 ( 3.481 2.010 10.721) 11.450 16.713 ( 6.395 3.692 18.284) 19.719 17.851 ( -9.297 -5.367 -16.731) 19.879 18.115 ( -8.434 -4.869 6.796) 11.876 19.991 ( 0.054 0.031 -2.946) 2.946 20.004 ( 2.422 1.398 -5.323) 6.013 ======================= Grid point 272 (91/146) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 9.379 5.415 6.419) 12.590 2.750 ( 7.032 4.060 11.906) 14.411 3.126 ( -2.547 -1.470 3.036) 4.227 3.672 ( 4.068 2.349 -4.072) 6.217 3.837 ( -10.285 -5.938 -3.367) 12.345 4.394 ( -13.985 -8.074 5.174) 16.957 4.786 ( 16.178 9.340 -9.871) 21.128 5.592 ( 4.786 2.763 -1.555) 5.741 5.864 ( -4.122 -2.380 6.870) 8.358 6.185 ( -7.296 -4.212 -6.606) 10.706 6.230 ( 8.602 4.966 4.670) 10.975 7.284 ( -3.453 -1.994 -7.744) 8.710 7.451 ( -2.875 -1.660 10.286) 10.809 7.578 ( -14.912 -8.610 5.655) 18.124 8.488 ( 1.075 0.621 -1.777) 2.168 9.242 ( 1.724 0.996 11.302) 11.476 9.781 ( 13.867 8.006 10.175) 18.972 10.378 ( -12.679 -7.320 -12.228) 19.075 12.428 ( 1.615 0.933 3.541) 4.002 12.876 ( -8.526 -4.923 3.854) 10.573 13.904 ( 0.942 0.544 1.139) 1.575 13.948 ( -2.716 -1.568 -3.696) 4.847 14.653 ( 4.760 2.748 -5.055) 7.467 15.050 ( 6.901 3.984 -0.677) 7.997 16.359 ( 2.445 1.412 8.703) 9.149 16.901 ( -0.496 -0.286 16.557) 16.567 17.562 ( -6.474 -3.738 -14.462) 16.280 18.010 ( -4.271 -2.466 7.762) 9.196 19.974 ( 0.707 0.408 -4.809) 4.878 20.020 ( 2.025 1.169 -5.398) 5.882 ======================= Grid point 273 (92/146) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -1.876 -1.083 4.435) 4.936 2.907 ( 1.435 0.828 4.771) 5.051 3.129 ( 5.142 2.969 -0.828) 5.995 3.522 ( -15.233 -8.795 2.983) 17.841 3.806 ( 7.855 4.535 0.091) 9.071 4.147 ( -9.526 -5.500 3.939) 11.683 5.128 ( 20.656 11.926 -18.003) 29.883 5.563 ( 0.085 0.049 -9.116) 9.116 5.710 ( -10.469 -6.044 2.826) 12.414 6.103 ( -0.139 -0.080 -0.211) 0.265 6.535 ( 8.373 4.834 9.870) 13.816 7.018 ( -17.622 -10.174 -1.400) 20.396 7.239 ( -11.359 -6.558 -7.929) 15.327 7.488 ( 1.033 0.596 11.370) 11.432 8.531 ( 0.650 0.375 6.137) 6.183 9.341 ( 1.014 0.585 8.279) 8.361 10.008 ( -12.342 -7.126 -13.200) 19.426 10.171 ( 14.480 8.360 7.879) 18.483 12.493 ( 2.827 1.632 1.749) 3.703 12.712 ( -8.099 -4.676 5.201) 10.701 13.848 ( -2.834 -1.636 -2.446) 4.086 13.948 ( 2.071 1.196 2.431) 3.410 14.705 ( 1.558 0.900 -7.768) 7.974 15.166 ( 3.189 1.841 0.145) 3.686 16.472 ( 3.834 2.214 5.045) 6.712 16.889 ( -9.181 -5.301 14.753) 18.167 17.383 ( -2.755 -1.591 -8.223) 8.817 18.039 ( 2.161 1.248 8.062) 8.439 19.962 ( 1.536 0.887 -6.833) 7.060 20.027 ( 1.513 0.873 -4.835) 5.141 ======================= Grid point 274 (93/146) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -12.831 -7.408 3.953) 15.334 2.880 ( -4.654 -2.687 0.942) 5.456 3.200 ( -15.308 -8.838 4.295) 18.190 3.322 ( 10.994 6.347 -5.955) 14.022 4.004 ( 8.488 4.900 1.913) 9.986 4.056 ( -0.172 -0.100 5.284) 5.287 5.368 ( 6.271 3.620 -15.635) 17.230 5.454 ( -16.181 -9.342 5.665) 19.524 5.657 ( 17.244 9.956 -11.792) 23.141 6.044 ( -6.807 -3.930 0.101) 7.861 6.619 ( -13.091 -7.558 6.733) 16.548 6.669 ( 0.095 0.055 5.699) 5.700 6.973 ( -6.012 -3.471 -13.002) 14.739 7.641 ( 4.374 2.526 11.420) 12.487 8.559 ( -3.316 -1.915 9.649) 10.381 9.382 ( -1.517 -0.876 5.406) 5.683 9.644 ( -11.854 -6.844 -12.916) 18.820 10.532 ( 13.055 7.538 5.184) 15.942 12.574 ( -7.140 -4.122 5.849) 10.109 12.591 ( 5.618 3.243 -0.539) 6.509 13.818 ( 1.553 0.897 -1.807) 2.546 14.035 ( 3.974 2.295 2.742) 5.346 14.605 ( -4.913 -2.837 -8.753) 10.431 15.192 ( -1.411 -0.815 1.317) 2.095 16.595 ( 5.013 2.894 -0.827) 5.848 16.709 ( -13.495 -7.792 13.601) 20.684 17.322 ( -0.550 -0.317 0.601) 0.874 18.189 ( 6.076 3.508 6.894) 9.837 19.955 ( 2.262 1.306 -8.768) 9.149 20.028 ( 1.077 0.622 -3.987) 4.177 ======================= Grid point 275 (94/146) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -17.577 -10.148 4.854) 20.868 2.645 ( -19.299 -11.143 4.100) 22.659 2.984 ( -1.813 -1.047 0.700) 2.207 3.499 ( 8.291 4.787 -8.801) 13.004 4.191 ( 7.219 4.168 7.686) 11.339 4.198 ( 6.371 3.678 2.294) 7.705 4.905 ( -33.349 -19.254 2.876) 38.615 5.345 ( 0.586 0.338 -8.726) 8.752 5.931 ( -3.207 -1.852 10.025) 10.687 6.035 ( 20.693 11.947 -16.389) 28.975 6.525 ( -0.843 -0.487 1.771) 2.021 6.697 ( 1.416 0.817 3.709) 4.053 6.839 ( -0.434 -0.251 -0.701) 0.862 7.767 ( 0.203 0.117 8.145) 8.149 8.487 ( -8.547 -4.935 9.739) 13.865 9.307 ( -10.579 -6.108 -10.617) 16.185 9.338 ( -4.839 -2.794 3.388) 6.535 10.833 ( 11.226 6.481 1.949) 13.109 12.457 ( -6.557 -3.786 6.239) 9.811 12.748 ( 8.790 5.075 -2.405) 10.431 13.876 ( 3.707 2.140 -2.353) 4.884 14.154 ( 4.667 2.694 1.709) 5.653 14.425 ( -4.880 -2.818 -6.079) 8.289 15.126 ( -5.099 -2.944 3.275) 6.738 16.482 ( -13.274 -7.664 12.886) 20.025 16.644 ( 1.560 0.900 -11.217) 11.360 17.371 ( 1.666 0.962 11.851) 12.006 18.382 ( 7.175 4.143 4.364) 9.364 19.951 ( 2.698 1.557 -10.312) 10.772 20.026 ( 0.766 0.442 -3.062) 3.187 ======================= Grid point 280 (95/146) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -0.000 11.623 25.391) 27.924 1.799 ( -0.000 13.086 28.792) 31.626 3.134 ( -0.000 15.230 40.017) 42.818 3.254 ( -0.000 -2.675 -0.155) 2.680 3.925 ( 0.000 -13.179 -11.247) 17.326 4.400 ( 0.000 10.819 -10.275) 14.920 4.424 ( 0.000 1.592 -2.637) 3.081 5.745 ( -0.000 -13.229 8.599) 15.778 5.923 ( -0.000 -0.867 10.402) 10.438 6.504 ( -0.000 -9.709 -1.473) 9.820 6.788 ( -0.000 6.128 5.851) 8.473 7.294 ( 0.000 -9.636 -7.913) 12.469 7.445 ( 0.000 4.644 -0.574) 4.680 7.629 ( -0.000 6.161 5.202) 8.063 8.558 ( 0.000 1.307 -4.736) 4.913 8.723 ( 0.000 9.629 -5.154) 10.921 10.082 ( -0.000 -48.140 21.337) 52.656 11.263 ( 0.000 -5.284 -5.524) 7.644 12.332 ( -0.000 6.989 9.842) 12.071 12.688 ( 0.000 25.732 -6.338) 26.501 13.694 ( 0.000 6.214 -11.625) 13.182 13.855 ( 0.000 9.409 -8.784) 12.872 14.244 ( -0.000 -0.263 6.933) 6.938 15.265 ( 0.000 -6.873 -3.672) 7.792 15.871 ( -0.000 -3.616 19.545) 19.877 16.247 ( -0.000 14.692 23.350) 27.588 18.332 ( 0.000 -10.579 -10.527) 14.924 18.550 ( 0.000 0.905 -11.063) 11.100 19.913 ( -0.000 -4.524 1.172) 4.674 20.013 ( 0.000 -0.889 -0.524) 1.032 ======================= Grid point 281 (96/146) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 3.604 12.702 20.270) 24.191 2.161 ( 4.691 11.888 26.125) 29.083 3.212 ( -1.739 -2.667 1.787) 3.651 3.568 ( 9.471 7.614 9.848) 15.642 3.767 ( 0.992 -2.626 -1.269) 3.081 4.350 ( -3.970 6.232 -2.590) 7.830 4.584 ( 9.539 7.066 0.279) 11.874 5.547 ( -10.744 -15.846 8.450) 20.927 5.947 ( -3.032 -1.750 10.462) 11.032 6.362 ( 1.095 -15.920 -8.512) 18.086 6.812 ( -6.365 -0.870 -1.328) 6.560 7.178 ( 3.250 -3.687 -4.225) 6.481 7.483 ( -3.693 6.566 8.328) 11.229 7.794 ( 5.277 7.179 4.741) 10.092 8.545 ( -0.864 2.718 -5.709) 6.381 8.837 ( 6.213 9.559 -6.251) 13.002 9.706 ( -9.897 -30.755 26.182) 41.586 11.101 ( -7.019 -6.682 -7.102) 12.015 12.404 ( -5.271 9.345 9.251) 14.166 12.956 ( 10.029 3.912 -3.460) 11.307 13.718 ( 2.022 10.832 -11.764) 16.119 13.873 ( -1.548 6.363 -3.857) 7.600 14.396 ( 12.723 -0.082 0.490) 12.733 15.072 ( -10.446 -5.378 -2.379) 11.987 16.038 ( 7.088 -1.731 15.902) 17.496 16.559 ( 1.449 13.546 23.709) 27.344 18.123 ( -4.636 -8.306 -12.925) 16.048 18.416 ( -7.067 -1.110 -6.875) 9.922 19.892 ( 2.988 -5.026 -0.728) 5.892 19.995 ( -0.094 -1.475 -1.194) 1.900 ======================= Grid point 282 (97/146) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 4.148 11.314 14.242) 18.656 2.503 ( 5.629 7.556 21.626) 23.590 3.185 ( -1.301 -1.411 4.490) 4.883 3.576 ( 3.134 -4.916 -9.726) 11.340 3.927 ( 3.217 8.388 -6.190) 10.910 4.379 ( 2.666 4.211 -2.706) 5.671 4.853 ( 2.836 1.241 11.496) 11.905 5.303 ( -2.358 -6.974 11.043) 13.272 5.914 ( -1.716 -7.728 3.422) 8.625 6.151 ( -0.884 -12.301 -4.290) 13.058 6.584 ( -11.619 -1.509 -8.073) 14.229 7.209 ( 3.723 -3.913 -3.463) 6.416 7.569 ( -1.508 4.557 13.682) 14.499 7.943 ( -2.993 8.533 5.746) 10.714 8.496 ( -2.357 1.554 -6.477) 7.066 9.032 ( 10.335 7.751 -6.220) 14.337 9.544 ( -1.538 -15.441 26.217) 30.465 10.814 ( -11.648 -6.733 -9.829) 16.662 12.462 ( -4.393 7.256 7.716) 11.467 13.026 ( 1.836 -6.425 0.118) 6.683 13.827 ( 5.755 9.037 -8.194) 13.488 13.897 ( -0.110 4.946 -1.368) 5.133 14.586 ( 9.009 -6.273 0.210) 10.980 14.863 ( -5.770 3.131 -4.131) 7.756 16.241 ( 6.121 -0.449 13.266) 14.618 16.851 ( 1.024 10.437 21.465) 23.890 17.846 ( -8.356 -4.669 -16.206) 18.822 18.240 ( -7.524 -3.226 -0.134) 8.187 19.901 ( 4.296 -3.652 -3.213) 6.490 19.967 ( 0.102 -1.565 -2.603) 3.039 ======================= Grid point 283 (98/146) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 4.240 8.350 10.417) 14.008 2.774 ( 5.059 4.002 14.875) 16.213 3.172 ( -2.431 -2.172 4.280) 5.381 3.580 ( 5.309 1.344 -4.385) 7.016 3.906 ( -4.829 1.193 -8.372) 9.738 4.452 ( 4.832 -0.310 -8.681) 9.940 4.696 ( -9.423 -7.266 4.730) 12.805 5.434 ( 5.457 -8.880 -5.376) 11.728 5.895 ( 7.845 -3.861 9.935) 13.235 6.107 ( 1.085 -1.247 7.834) 8.006 6.352 ( -8.781 5.082 -7.241) 12.464 7.146 ( 1.024 -9.051 -7.790) 11.985 7.660 ( -5.020 5.471 13.775) 15.648 7.877 ( -16.516 3.690 4.785) 17.586 8.455 ( 1.240 0.317 -2.384) 2.705 9.222 ( 7.587 3.952 -2.884) 9.028 9.686 ( 10.784 -4.223 20.076) 23.177 10.462 ( -13.457 -5.285 -12.167) 18.896 12.493 ( -3.522 4.404 5.542) 7.906 12.936 ( -3.449 -9.059 3.294) 10.238 13.900 ( 0.620 1.745 -1.548) 2.414 13.951 ( 0.474 3.117 -3.691) 4.854 14.592 ( 2.340 -0.530 -0.435) 2.438 14.930 ( 7.624 3.395 -3.998) 9.254 16.399 ( 2.887 0.465 11.321) 11.693 17.047 ( -1.861 4.176 15.205) 15.878 17.576 ( -7.919 0.057 -12.728) 14.991 18.107 ( -5.191 -2.988 3.824) 7.106 19.914 ( 2.793 -2.329 -4.388) 5.699 19.943 ( 1.978 -0.993 -4.649) 5.149 ======================= Grid point 284 (99/146) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 2.545 2.027 8.287) 8.902 2.926 ( 0.677 0.202 6.633) 6.670 3.131 ( -1.498 1.509 1.275) 2.480 3.634 ( -5.016 -6.064 0.419) 7.881 3.782 ( 0.641 5.590 -0.832) 5.688 4.273 ( -10.582 -9.296 2.055) 14.234 4.770 ( 16.932 6.097 -16.571) 24.464 5.306 ( 7.086 -16.088 -11.653) 21.091 5.915 ( -10.348 1.308 3.991) 11.167 6.178 ( -1.518 6.589 0.940) 6.827 6.466 ( 10.837 2.219 11.809) 16.181 6.981 ( -1.256 -10.676 -11.177) 15.508 7.531 ( -25.330 -1.212 2.066) 25.443 7.697 ( -7.534 7.721 13.146) 17.005 8.512 ( 4.410 -2.473 5.074) 7.163 9.340 ( 4.575 1.734 -0.851) 4.966 9.989 ( 8.212 -2.945 6.257) 10.736 10.131 ( -6.549 0.489 -6.376) 9.153 12.508 ( -1.394 2.012 3.151) 3.990 12.799 ( -5.081 -8.361 5.117) 11.041 13.860 ( -3.138 -2.431 -2.218) 4.547 13.951 ( 0.713 1.615 0.397) 1.810 14.668 ( 1.811 5.459 -4.384) 7.232 15.061 ( 8.192 -0.986 -1.535) 8.392 16.500 ( 0.633 2.280 7.107) 7.491 17.044 ( -4.962 -5.160 6.341) 9.563 17.436 ( -6.864 4.627 -0.896) 8.326 18.075 ( 0.013 -0.078 5.794) 5.794 19.893 ( 1.379 -0.752 -6.301) 6.494 19.956 ( 3.284 -0.380 -5.036) 6.024 ======================= Grid point 285 (100/146) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -9.338 -5.835 5.549) 12.330 2.904 ( -1.660 -4.400 1.533) 4.946 3.209 ( 3.525 5.391 -2.221) 6.813 3.392 ( -12.266 -7.175 3.521) 14.640 3.935 ( 5.576 3.999 2.887) 7.445 4.110 ( -1.369 -0.223 3.101) 3.397 5.003 ( 17.216 -2.653 -17.657) 24.803 5.324 ( 16.874 -2.877 -11.091) 20.397 5.730 ( -14.758 0.855 3.265) 15.139 6.200 ( -6.198 8.299 -1.365) 10.447 6.647 ( 2.509 -6.171 8.737) 10.987 6.761 ( -4.961 -8.317 -7.816) 12.445 7.109 ( -20.601 -0.225 4.410) 21.069 7.773 ( -3.226 8.813 13.288) 16.268 8.580 ( 2.711 -6.505 8.177) 10.795 9.398 ( 1.973 0.010 -2.391) 3.100 9.731 ( -13.551 -2.266 -11.501) 17.918 10.390 ( 14.315 2.979 7.480) 16.424 12.536 ( 1.802 0.306 0.952) 2.061 12.674 ( -4.763 -5.950 5.352) 9.313 13.796 ( -0.297 -0.361 -1.357) 1.435 14.005 ( 3.077 1.086 1.561) 3.617 14.634 ( -5.354 1.394 -6.608) 8.619 15.165 ( 4.704 -0.779 0.099) 4.770 16.565 ( 0.651 3.337 -0.191) 3.406 16.904 ( -7.792 -9.545 9.215) 15.386 17.392 ( -4.746 4.227 5.148) 8.178 18.167 ( 4.529 1.882 5.341) 7.251 19.874 ( 1.768 0.906 -8.209) 8.446 19.975 ( 2.494 0.441 -4.538) 5.197 ======================= Grid point 286 (101/146) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -15.220 -7.353 4.692) 17.542 2.810 ( -7.029 -6.419 1.977) 9.722 3.044 ( -9.976 -8.983 2.044) 13.579 3.385 ( 5.058 6.914 -3.528) 9.264 4.090 ( 8.693 0.674 5.311) 10.209 4.233 ( 3.505 9.490 3.612) 10.742 5.081 ( 11.715 -11.638 -11.413) 20.073 5.326 ( -23.775 -8.066 1.921) 25.179 5.692 ( 19.273 12.760 -16.395) 28.338 6.089 ( -10.142 2.453 1.641) 10.563 6.526 ( -2.727 -4.912 -5.034) 7.544 6.707 ( 1.113 -1.888 7.363) 7.682 6.958 ( -6.935 3.653 12.977) 15.161 7.886 ( -3.049 6.310 10.726) 12.812 8.561 ( -1.740 -9.872 8.143) 12.914 9.326 ( -5.246 -4.926 -10.906) 13.066 9.462 ( -9.648 2.339 -1.966) 10.120 10.686 ( 12.908 2.293 3.047) 13.459 12.532 ( -2.924 -6.634 5.975) 9.395 12.657 ( 4.755 3.321 -1.452) 5.979 13.830 ( 3.144 2.802 -1.023) 4.333 14.090 ( 4.671 0.075 1.207) 4.825 14.474 ( -7.217 -1.032 -4.831) 8.746 15.188 ( -1.710 -0.527 0.721) 1.929 16.542 ( -2.550 -3.219 -5.627) 6.966 16.742 ( -9.318 -4.762 10.379) 14.739 17.440 ( 0.420 2.674 11.091) 11.416 18.309 ( 6.882 0.810 2.604) 7.402 19.867 ( 1.877 3.060 -9.407) 10.068 19.991 ( 1.631 1.052 -3.759) 4.230 ======================= Grid point 292 (102/146) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -0.000 10.032 19.402) 21.843 2.447 ( -0.000 15.551 25.120) 29.544 3.219 ( -0.000 -2.058 3.761) 4.288 3.485 ( 0.000 -3.829 -10.549) 11.222 3.823 ( -0.000 7.590 6.236) 9.823 4.426 ( 0.000 6.016 -14.503) 15.702 4.597 ( -0.000 9.216 17.130) 19.452 5.510 ( -0.000 -19.712 6.834) 20.863 6.022 ( -0.000 -3.550 11.556) 12.089 6.088 ( 0.000 -21.238 -11.668) 24.232 6.905 ( -0.000 -0.486 2.694) 2.738 7.040 ( 0.000 -2.911 -7.990) 8.503 7.713 ( -0.000 13.121 10.119) 16.569 7.786 ( -0.000 1.904 5.329) 5.659 8.581 ( 0.000 7.125 -4.235) 8.289 8.825 ( 0.000 9.077 -9.491) 13.133 9.617 ( -0.000 -29.948 23.677) 38.177 11.053 ( 0.000 -7.084 -6.966) 9.935 12.644 ( -0.000 8.659 12.806) 15.459 12.861 ( 0.000 1.285 -3.626) 3.847 13.746 ( 0.000 11.759 -11.359) 16.349 13.933 ( 0.000 9.377 -9.069) 13.045 14.276 ( -0.000 -2.721 5.434) 6.077 15.092 ( 0.000 -4.532 -4.649) 6.492 16.057 ( -0.000 -1.955 16.934) 17.047 16.849 ( -0.000 14.061 24.022) 27.834 18.008 ( 0.000 -6.670 -12.532) 14.196 18.407 ( 0.000 -0.200 -11.587) 11.588 19.798 ( -0.000 -8.063 1.622) 8.225 19.967 ( 0.000 -2.646 -1.371) 2.980 ======================= Grid point 293 (103/146) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 2.945 6.738 15.357) 17.027 2.723 ( -2.141 11.908 21.844) 24.971 3.232 ( -1.303 -0.067 7.188) 7.306 3.416 ( 3.347 -1.120 -9.891) 10.502 3.915 ( 1.979 6.814 -7.239) 10.137 4.344 ( -0.701 0.248 -14.206) 14.225 4.900 ( 5.334 7.513 17.954) 20.180 5.317 ( -2.662 -15.927 8.884) 18.430 5.748 ( -2.950 -22.020 -11.035) 24.806 6.090 ( 2.599 -4.666 10.554) 11.829 6.741 ( -11.795 0.242 -4.454) 12.610 7.083 ( 4.823 -1.388 -5.199) 7.226 7.738 ( -3.814 2.297 11.751) 12.567 8.043 ( 7.072 10.618 7.050) 14.576 8.578 ( -5.918 7.097 -4.345) 10.211 8.896 ( 6.531 6.915 -11.035) 14.569 9.515 ( 1.338 -20.954 23.340) 31.394 10.865 ( -7.982 -6.190 -8.596) 13.263 12.720 ( -7.351 7.856 10.214) 14.835 12.891 ( 4.526 -5.458 -0.933) 7.151 13.799 ( 2.524 7.688 -6.815) 10.579 13.946 ( -1.137 5.971 -5.275) 8.048 14.383 ( 8.764 -1.076 2.123) 9.081 14.964 ( -6.354 -0.180 -4.876) 8.011 16.203 ( 6.189 -1.965 14.517) 15.903 17.118 ( -1.717 11.716 21.204) 24.286 17.827 ( -4.832 -3.103 -14.184) 15.303 18.292 ( -4.041 -1.207 -8.104) 9.136 19.762 ( 3.718 -7.245 0.680) 8.172 19.926 ( 0.042 -3.121 -2.110) 3.768 ======================= Grid point 294 (104/146) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 4.068 4.299 11.367) 12.816 2.894 ( -2.628 6.663 16.157) 17.673 3.238 ( -3.564 -1.022 7.538) 8.401 3.478 ( 6.628 5.063 -3.428) 9.017 3.918 ( -1.396 4.408 -12.408) 13.242 4.262 ( 5.201 -2.853 -14.345) 15.523 4.844 ( -11.926 -11.803 5.745) 17.736 5.225 ( -3.527 -17.827 -7.732) 19.750 5.696 ( 17.525 -2.373 14.040) 22.581 6.166 ( 1.484 -1.636 11.419) 11.631 6.522 ( -11.095 4.584 -7.366) 14.084 7.034 ( -1.885 -3.472 -8.807) 9.653 7.827 ( 1.605 -0.304 15.319) 15.406 8.200 ( -7.734 9.093 5.165) 13.007 8.486 ( -6.631 4.916 -3.669) 9.033 9.033 ( 11.524 3.692 -12.277) 17.239 9.580 ( 8.295 -12.289 22.791) 27.189 10.570 ( -12.483 -3.599 -10.805) 16.898 12.703 ( -8.919 5.393 7.622) 12.912 12.864 ( 1.579 -9.888 1.195) 10.085 13.887 ( 2.952 4.083 -4.009) 6.439 13.951 ( -0.055 2.428 -3.098) 3.936 14.513 ( 6.329 -2.238 4.242) 7.941 14.882 ( -1.234 5.921 -6.711) 9.034 16.387 ( 6.629 -2.092 12.940) 14.689 17.234 ( -6.802 4.673 5.291) 9.803 17.663 ( -4.956 4.042 -3.868) 7.474 18.165 ( -4.086 -2.370 -2.545) 5.366 19.781 ( 5.271 -4.693 -1.365) 7.188 19.882 ( 0.367 -2.618 -3.309) 4.235 ======================= Grid point 295 (105/146) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 1.189 -0.718 8.912) 9.020 2.985 ( -1.654 3.409 6.340) 7.386 3.209 ( -3.656 0.221 8.028) 8.825 3.644 ( 3.135 5.036 2.368) 6.387 3.813 ( -2.062 1.009 -7.232) 7.588 4.273 ( 3.614 -2.757 -12.804) 13.587 4.559 ( -4.749 -6.471 -2.466) 8.397 4.946 ( 3.772 -19.915 -10.593) 22.870 6.048 ( 5.857 -1.151 12.682) 14.017 6.247 ( 0.238 3.580 6.604) 7.515 6.425 ( 1.239 4.922 -0.462) 5.096 6.866 ( -4.588 -4.519 -11.764) 13.411 7.929 ( -5.271 0.020 13.847) 14.816 8.008 ( -19.127 4.541 3.314) 19.936 8.458 ( -0.400 1.350 2.083) 2.515 9.177 ( 11.050 0.736 -11.783) 16.170 9.828 ( 13.672 -5.844 18.043) 23.380 10.252 ( -13.020 0.076 -11.428) 17.324 12.629 ( -7.417 1.307 4.305) 8.674 12.784 ( -0.890 -9.803 3.266) 10.371 13.883 ( -2.642 -1.301 -1.263) 3.205 13.948 ( 0.483 1.116 -2.536) 2.813 14.665 ( 6.014 4.654 3.331) 8.302 14.913 ( 3.880 2.381 -5.915) 7.464 16.542 ( 3.674 -1.206 11.666) 12.291 17.082 ( -7.245 -1.019 -10.187) 12.542 17.661 ( -7.078 6.363 9.516) 13.459 18.094 ( -0.468 -1.744 0.903) 2.019 19.816 ( 3.245 -1.849 -3.064) 4.832 19.857 ( 2.630 -1.158 -4.238) 5.120 ======================= Grid point 296 (106/146) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -2.606 -4.959 5.461) 7.823 2.930 ( -5.770 -4.149 0.488) 7.124 3.249 ( -1.469 3.179 5.285) 6.340 3.560 ( -10.209 -1.392 1.433) 10.403 3.916 ( 3.196 3.755 1.648) 5.199 4.128 ( -0.151 -1.395 0.482) 1.484 4.599 ( 11.681 -5.399 -11.854) 17.497 4.901 ( 16.973 -4.724 -13.249) 22.044 6.005 ( -11.521 1.466 5.096) 12.682 6.334 ( -0.204 6.178 -1.169) 6.291 6.572 ( 3.448 -3.619 5.052) 7.107 6.680 ( -0.293 -4.364 -6.035) 7.453 7.575 ( -26.685 1.962 2.536) 26.877 8.026 ( -3.594 2.487 16.577) 17.143 8.493 ( 2.337 -3.854 4.980) 6.717 9.261 ( 7.644 -1.616 -11.779) 14.135 9.905 ( -12.364 2.001 -6.128) 13.944 10.199 ( 13.791 -1.552 7.556) 15.801 12.554 ( -3.213 -1.227 1.967) 3.962 12.688 ( -2.083 -8.122 3.198) 8.974 13.813 ( -2.590 -0.491 0.378) 2.663 13.968 ( 2.345 -0.033 -0.649) 2.433 14.730 ( -5.485 5.913 -4.363) 9.170 15.023 ( 9.998 -1.095 0.498) 10.070 16.626 ( -1.526 2.461 4.494) 5.346 16.909 ( -2.293 -6.612 -3.212) 7.700 17.623 ( -9.744 3.780 10.195) 14.601 18.125 ( 3.832 -1.058 1.348) 4.197 19.816 ( 1.127 1.416 -5.040) 5.355 19.895 ( 4.054 0.439 -3.688) 5.498 ======================= Grid point 297 (107/146) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -10.577 -6.133 2.489) 12.477 2.839 ( -1.643 -3.319 3.375) 5.010 3.135 ( -10.652 -8.263 -0.824) 13.507 3.460 ( -4.362 7.064 3.035) 8.840 3.971 ( 6.546 -3.431 3.561) 8.203 4.311 ( 3.758 13.584 5.183) 15.017 4.641 ( 14.582 -13.636 -8.684) 21.770 5.192 ( 22.154 7.373 -17.839) 29.383 5.796 ( -17.640 1.505 2.034) 17.821 6.271 ( -7.840 -0.588 -5.156) 9.402 6.490 ( -2.905 -0.381 -6.031) 6.705 6.735 ( 2.242 -2.445 12.497) 12.930 7.252 ( -15.097 2.512 9.312) 17.915 8.092 ( -3.026 0.507 14.553) 14.872 8.505 ( 0.349 -5.928 6.389) 8.723 9.234 ( 1.648 -4.393 -13.675) 14.457 9.675 ( -12.732 5.618 -5.051) 14.805 10.475 ( 14.376 -2.048 4.160) 15.105 12.525 ( -0.151 -3.697 3.069) 4.808 12.615 ( 0.524 -3.569 0.340) 3.624 13.814 ( 1.319 1.641 1.830) 2.790 14.016 ( 4.019 -1.011 -0.094) 4.145 14.601 ( -9.818 3.573 -4.680) 11.448 15.161 ( 5.019 -0.486 0.572) 5.075 16.565 ( -6.172 1.222 -7.218) 9.575 16.843 ( -1.262 -8.374 11.406) 14.206 17.579 ( -5.662 2.602 10.369) 12.097 18.191 ( 5.934 -3.336 -1.456) 6.962 19.831 ( 1.169 4.764 -5.688) 7.511 19.943 ( 2.814 1.799 -3.412) 4.774 ======================= Grid point 304 (108/146) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -0.000 0.764 13.857) 13.878 2.985 ( -0.000 8.682 16.532) 18.673 3.333 ( 0.000 3.239 -9.124) 9.682 3.342 ( -0.000 5.278 13.760) 14.737 3.906 ( 0.000 5.975 -9.445) 11.176 4.209 ( 0.000 -4.671 -20.395) 20.923 5.088 ( -0.000 10.150 20.561) 22.930 5.157 ( -0.000 -22.833 3.365) 23.080 5.515 ( 0.000 -18.531 -9.359) 20.760 6.080 ( -0.000 -5.817 11.975) 13.313 6.859 ( -0.000 -4.384 -0.634) 4.430 6.986 ( 0.000 7.155 -8.039) 10.762 7.818 ( -0.000 -4.713 3.440) 5.835 8.130 ( -0.000 12.097 11.683) 16.817 8.713 ( 0.000 9.886 -3.206) 10.393 8.820 ( 0.000 5.139 -11.774) 12.846 9.439 ( -0.000 -18.462 20.995) 27.958 10.827 ( 0.000 -5.040 -8.360) 9.761 12.758 ( 0.000 -5.763 -2.686) 6.358 12.958 ( -0.000 5.746 11.188) 12.577 13.782 ( 0.000 0.620 -2.617) 2.689 13.970 ( 0.000 5.072 -7.400) 8.971 14.341 ( -0.000 4.615 1.925) 5.000 14.993 ( 0.000 1.295 -4.718) 4.893 16.213 ( -0.000 -2.485 13.572) 13.798 17.380 ( -0.000 9.536 19.127) 21.373 17.753 ( 0.000 -1.203 -14.385) 14.435 18.256 ( 0.000 0.478 -11.174) 11.184 19.663 ( -0.000 -8.200 3.535) 8.930 19.879 ( 0.000 -3.654 -1.774) 4.061 ======================= Grid point 305 (109/146) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 3.711 -2.106 11.417) 12.188 3.106 ( -3.244 4.592 9.881) 11.369 3.354 ( 1.391 4.268 -1.332) 4.682 3.477 ( -1.892 7.447 12.669) 14.817 3.898 ( -0.838 4.993 -12.604) 13.583 4.040 ( 3.362 -4.800 -17.995) 18.925 4.872 ( -5.569 -19.067 1.332) 19.908 5.167 ( -12.097 -13.930 -3.513) 18.781 5.486 ( 16.051 1.982 14.915) 22.000 6.146 ( 4.665 -4.240 10.637) 12.365 6.704 ( -9.879 -0.250 -3.320) 10.425 7.019 ( -1.525 5.436 -9.156) 10.757 7.795 ( 3.477 -7.775 5.665) 10.229 8.361 ( 4.800 8.804 5.766) 11.567 8.689 ( -8.276 7.803 -2.513) 11.649 8.839 ( 2.709 3.983 -10.588) 11.632 9.461 ( 6.272 -13.579 20.401) 25.297 10.658 ( -8.054 -2.237 -9.580) 12.714 12.713 ( 3.152 -7.588 -0.887) 8.264 12.974 ( -9.024 2.405 6.812) 11.560 13.814 ( 4.859 -1.035 -0.789) 5.031 13.962 ( -0.703 2.860 -4.438) 5.327 14.442 ( 4.079 3.297 2.433) 5.782 14.956 ( -3.520 5.566 -4.525) 7.991 16.325 ( 5.901 -3.012 11.879) 13.602 17.433 ( -10.517 3.085 -2.588) 11.262 17.722 ( 3.309 3.886 1.054) 5.212 18.176 ( -2.597 0.624 -7.492) 7.954 19.649 ( 3.851 -6.180 3.295) 7.993 19.835 ( 0.045 -2.874 -1.602) 3.290 ======================= Grid point 306 (110/146) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 4.186 -3.949 9.000) 10.683 3.099 ( -4.491 0.613 0.422) 4.552 3.385 ( -6.016 1.676 12.611) 14.073 3.643 ( 7.862 6.759 1.945) 10.549 3.787 ( -3.611 -0.229 -8.220) 8.981 4.058 ( 7.899 6.314 -15.555) 18.553 4.622 ( -3.934 -15.089 -0.264) 15.596 4.752 ( -14.711 -13.341 -2.714) 20.044 5.892 ( 17.078 -1.699 14.540) 22.493 6.279 ( 5.766 -1.147 9.838) 11.461 6.508 ( -9.171 1.325 -6.178) 11.137 6.911 ( -8.109 4.722 -11.557) 14.887 7.862 ( 9.358 -11.351 7.492) 16.509 8.378 ( -14.420 4.841 -1.683) 15.303 8.653 ( -7.220 9.390 7.320) 13.924 8.866 ( 10.484 -1.179 -15.063) 18.390 9.648 ( 12.571 -8.461 18.830) 24.170 10.411 ( -12.015 1.781 -10.455) 16.026 12.678 ( 1.653 -9.091 1.634) 9.384 12.833 ( -10.432 -0.578 2.243) 10.686 13.866 ( 2.748 -1.694 -1.338) 3.495 13.949 ( -1.332 1.769 -2.358) 3.234 14.582 ( 7.785 0.733 5.774) 9.721 14.939 ( -3.113 8.168 -5.680) 10.424 16.487 ( 7.572 -3.895 11.609) 14.397 17.183 ( -12.411 2.570 -14.272) 19.087 17.843 ( 1.123 2.650 8.254) 8.741 18.087 ( -3.334 -0.497 -3.893) 5.150 19.704 ( 5.493 -2.725 1.611) 6.339 19.808 ( 0.254 -0.740 -1.597) 1.778 ======================= Grid point 307 (111/146) ======================= q-point: (-0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -0.261 -5.472 6.364) 8.397 2.974 ( -5.606 -4.103 -4.450) 8.250 3.382 ( -4.315 -0.393 12.873) 13.583 3.633 ( -2.035 -4.622 -11.173) 12.261 3.935 ( 7.089 10.350 8.539) 15.175 4.115 ( -2.175 3.470 -7.994) 8.982 4.433 ( -3.353 -3.760 1.523) 5.263 4.542 ( 8.358 -4.761 -9.169) 13.289 6.150 ( 3.837 -4.200 11.627) 12.945 6.327 ( -3.525 0.210 -4.374) 5.622 6.484 ( 9.303 -2.174 7.513) 12.154 6.720 ( -9.924 6.142 -12.946) 17.430 7.948 ( 7.050 -13.684 8.045) 17.368 8.055 ( -20.716 1.051 -3.300) 21.003 8.660 ( -9.245 8.358 12.889) 17.929 8.963 ( 13.024 -2.681 -16.730) 21.371 9.928 ( 14.086 -5.563 14.163) 20.736 10.165 ( -12.172 5.126 -10.143) 16.653 12.609 ( -2.086 -7.244 3.782) 8.433 12.668 ( -5.660 -3.511 -1.808) 6.901 13.866 ( -1.476 -0.602 1.998) 2.556 13.920 ( 0.144 0.004 -3.236) 3.239 14.795 ( 10.222 0.672 5.700) 11.723 14.911 ( -4.207 6.467 -6.031) 9.792 16.644 ( 6.118 -4.598 12.394) 14.567 16.917 ( -9.761 2.145 -14.855) 17.904 17.877 ( -7.025 1.415 9.921) 12.238 18.026 ( 2.566 -3.456 -4.856) 6.489 19.789 ( 3.753 1.070 0.431) 3.926 19.815 ( 1.947 1.760 -2.072) 3.344 ======================= Grid point 308 (112/146) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -6.363 -4.498 0.481) 7.807 2.839 ( -0.465 -4.812 1.586) 5.088 3.300 ( -13.760 -2.046 3.082) 14.249 3.526 ( 4.322 -4.100 -2.730) 6.554 3.953 ( -7.458 0.996 4.587) 8.812 4.230 ( 13.519 -8.501 -3.485) 16.345 4.478 ( 0.140 15.585 9.281) 18.140 4.776 ( 21.062 9.391 -16.525) 28.370 6.083 ( -11.842 -0.882 4.883) 12.839 6.247 ( -0.389 -7.038 -6.799) 9.794 6.574 ( -5.982 8.421 -9.030) 13.721 6.696 ( 8.857 -2.648 12.743) 15.743 7.637 ( -22.438 0.646 1.641) 22.507 8.001 ( 8.497 -18.010 5.335) 20.616 8.682 ( -8.307 7.745 15.624) 19.316 9.005 ( 8.069 -4.420 -16.812) 19.164 9.935 ( -13.406 8.277 -6.022) 16.867 10.213 ( 14.969 -5.447 5.391) 16.817 12.527 ( -2.422 -2.937 1.591) 4.127 12.566 ( -0.382 -5.465 -0.339) 5.488 13.848 ( -1.825 1.259 2.726) 3.514 13.928 ( 3.455 -2.083 -1.799) 4.418 14.807 ( -9.823 7.869 -3.607) 13.093 15.019 ( 10.483 -2.044 2.037) 10.873 16.668 ( -8.898 2.408 -8.190) 12.331 16.788 ( 5.023 -7.928 9.605) 13.429 17.798 ( -9.304 1.277 9.095) 13.074 18.018 ( 5.545 -6.732 -5.920) 10.541 19.844 ( 0.638 5.372 -1.442) 5.599 19.889 ( 3.918 2.606 -1.734) 5.015 ======================= Grid point 316 (113/146) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -0.000 -3.542 11.316) 11.857 3.230 ( -0.000 0.723 7.341) 7.376 3.307 ( 0.000 3.674 -9.576) 10.257 3.675 ( -0.000 0.888 10.284) 10.323 3.867 ( 0.000 1.204 -7.552) 7.648 3.907 ( 0.000 8.040 -10.143) 12.943 4.712 ( -0.000 -20.864 -0.966) 20.886 5.193 ( -0.000 -7.808 -0.614) 7.832 5.443 ( -0.000 3.074 13.899) 14.235 6.114 ( -0.000 -4.283 8.837) 9.820 6.755 ( -0.000 -5.147 -0.082) 5.148 7.060 ( 0.000 10.194 -9.800) 14.141 7.680 ( -0.000 -10.874 -1.057) 10.925 8.314 ( 0.000 0.263 -8.438) 8.442 8.847 ( 0.000 7.722 -4.423) 8.899 8.877 ( -0.000 8.837 5.487) 10.401 9.391 ( -0.000 -13.002 18.650) 22.735 10.655 ( 0.000 -0.291 -9.479) 9.484 12.610 ( -0.000 -5.782 -1.154) 5.896 13.098 ( -0.000 -1.485 2.181) 2.639 13.742 ( -0.000 -3.390 2.201) 4.042 13.970 ( 0.000 2.851 -3.113) 4.221 14.464 ( 0.000 4.779 0.737) 4.835 15.023 ( 0.000 5.622 -2.039) 5.980 16.312 ( -0.000 -2.551 9.902) 10.225 17.591 ( 0.000 3.256 -13.841) 14.218 17.630 ( -0.000 -1.296 3.305) 3.550 18.183 ( 0.000 3.878 -4.999) 6.327 19.587 ( -0.000 -5.627 6.512) 8.607 19.807 ( -0.000 -1.749 0.275) 1.771 ======================= Grid point 317 (114/146) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 2.628 -4.210 10.678) 11.775 3.146 ( -4.731 -3.596 -4.704) 7.579 3.389 ( 9.150 0.182 -7.116) 11.593 3.609 ( -4.509 -5.396 0.181) 7.034 3.917 ( -3.338 7.837 5.505) 10.142 3.976 ( 2.747 11.096 -3.740) 12.028 4.504 ( -2.133 -12.094 -1.070) 12.327 4.982 ( -16.505 -3.908 3.351) 17.289 5.684 ( 13.960 -1.786 12.643) 18.919 6.193 ( 6.815 -1.880 5.189) 8.770 6.630 ( -7.842 -4.268 -0.308) 8.933 7.028 ( -6.142 6.748 -11.478) 14.663 7.603 ( 6.914 -13.433 -1.618) 15.194 8.332 ( 11.277 -2.443 -15.422) 19.261 8.779 ( -9.666 3.920 -4.274) 11.272 8.973 ( -6.123 8.347 9.943) 14.354 9.481 ( 9.662 -9.538 17.265) 21.964 10.540 ( -7.073 3.144 -9.629) 12.355 12.574 ( 1.927 -5.209 0.225) 5.558 12.983 ( -8.278 -4.475 -1.922) 9.604 13.773 ( 4.326 -2.299 1.019) 5.004 13.980 ( -0.784 2.778 -1.222) 3.134 14.528 ( 2.892 1.024 2.721) 4.101 15.049 ( -2.605 6.939 -1.548) 7.572 16.399 ( 5.446 -2.678 8.984) 10.842 17.344 ( -13.247 1.474 -12.780) 18.466 17.743 ( 9.020 -3.098 -4.742) 10.651 18.171 ( -3.850 3.783 -1.099) 5.508 19.620 ( 3.589 -2.878 6.492) 7.957 19.806 ( -0.045 0.403 1.729) 1.776 ======================= Grid point 318 (115/146) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 1.470 -5.911 6.726) 9.074 2.985 ( -4.504 -4.980 -5.912) 8.946 3.420 ( 0.728 -10.753 -6.964) 12.832 3.516 ( 2.444 -1.250 1.482) 3.120 3.963 ( -0.927 2.754 1.369) 3.212 4.146 ( 5.407 13.662 -4.899) 15.489 4.443 ( -1.958 2.845 3.790) 5.128 4.681 ( -17.663 3.086 8.659) 19.912 5.973 ( 14.269 -6.690 9.419) 18.360 6.334 ( 6.415 -3.531 1.877) 7.559 6.445 ( -6.898 -0.602 1.288) 7.043 6.867 ( -8.738 4.466 -12.451) 15.853 7.615 ( 11.646 -16.225 -1.218) 20.009 8.327 ( -5.297 -1.325 -12.028) 13.209 8.638 ( 2.734 -0.907 -10.931) 11.305 8.990 ( -8.447 6.265 14.251) 17.712 9.706 ( 13.350 -7.278 13.155) 20.106 10.374 ( -10.746 7.006 -8.559) 15.422 12.559 ( 0.934 -4.287 1.328) 4.584 12.756 ( -9.115 -5.315 -3.438) 11.097 13.824 ( 3.104 -1.043 -0.649) 3.338 13.968 ( -2.972 2.291 -0.807) 3.838 14.637 ( 8.243 -2.802 4.975) 10.027 15.052 ( -4.333 7.830 -2.273) 9.232 16.539 ( 7.288 -4.228 9.295) 12.546 17.047 ( -12.243 1.369 -13.677) 18.408 17.802 ( 7.305 -5.779 -6.491) 11.353 18.111 ( -6.993 2.466 2.160) 7.723 19.722 ( 5.027 0.585 4.325) 6.657 19.835 ( 0.035 2.835 2.244) 3.616 ======================= Grid point 328 (116/146) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -0.000 -5.666 11.470) 12.793 3.125 ( 0.000 -8.055 -5.794) 9.922 3.207 ( 0.000 2.455 -12.158) 12.404 3.584 ( -0.000 -8.778 -0.509) 8.793 3.969 ( 0.000 9.369 -7.521) 12.014 4.135 ( -0.000 3.158 10.080) 10.563 4.478 ( -0.000 3.999 6.538) 7.664 5.182 ( -0.000 2.131 6.958) 7.277 5.598 ( -0.000 -2.947 10.215) 10.632 6.120 ( -0.000 -2.922 1.680) 3.371 6.656 ( -0.000 -7.370 4.393) 8.580 7.066 ( 0.000 3.413 -12.545) 13.001 7.369 ( 0.000 -13.478 -8.377) 15.869 8.078 ( 0.000 -2.564 -16.707) 16.902 8.878 ( 0.000 2.464 -7.169) 7.581 9.186 ( -0.000 7.432 11.305) 13.530 9.386 ( -0.000 -11.030 16.886) 20.170 10.582 ( 0.000 5.300 -9.082) 10.515 12.525 ( -0.000 -1.796 0.576) 1.886 12.971 ( 0.000 -7.053 -6.309) 9.463 13.726 ( -0.000 -1.451 3.128) 3.448 14.013 ( 0.000 3.418 -0.645) 3.478 14.522 ( -0.000 -0.528 1.432) 1.526 15.127 ( 0.000 4.651 0.862) 4.730 16.388 ( -0.000 -0.848 7.694) 7.741 17.441 ( 0.000 -10.495 -10.847) 15.093 17.510 ( 0.000 4.979 -12.061) 13.048 18.235 ( 0.000 4.337 -2.169) 4.849 19.618 ( -0.000 -1.663 9.520) 9.664 19.836 ( -0.000 1.682 3.898) 4.245 ======================= Grid point 329 (117/146) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 0.862 -9.520 5.794) 11.178 2.964 ( -3.854 -5.033 -5.568) 8.437 3.245 ( 4.716 0.124 -7.188) 8.598 3.437 ( -0.830 -12.757 -1.239) 12.844 4.021 ( -0.815 6.929 -5.170) 8.684 4.153 ( 1.106 3.035 -1.138) 3.425 4.664 ( -3.699 16.068 15.796) 22.834 5.110 ( -15.631 8.519 10.083) 20.459 5.715 ( 11.000 -9.798 6.494) 16.099 6.181 ( 8.485 -2.773 0.286) 8.931 6.558 ( -6.222 -5.605 5.373) 9.950 6.914 ( -5.687 -2.805 -13.015) 14.478 7.268 ( 8.201 -11.036 -9.920) 16.954 8.064 ( 10.687 -1.418 -16.135) 19.406 8.736 ( -10.339 -1.018 -6.969) 12.510 9.235 ( -5.491 1.505 12.246) 13.505 9.509 ( 10.250 -7.280 11.760) 17.215 10.543 ( -5.695 8.462 -7.389) 12.595 12.534 ( 0.480 0.568 1.122) 1.346 12.794 ( -5.781 -7.432 -6.643) 11.523 13.768 ( 2.763 0.447 1.392) 3.126 14.030 ( -1.615 3.408 -0.918) 3.881 14.536 ( 2.883 -4.061 3.410) 6.036 15.159 ( -1.594 4.021 0.479) 4.352 16.468 ( 3.777 -1.196 7.892) 8.831 17.134 ( -9.501 -7.040 -13.798) 18.172 17.568 ( 7.225 -1.395 -10.725) 13.007 18.234 ( -3.320 4.136 -1.542) 5.523 19.703 ( 2.857 0.843 8.940) 9.423 19.885 ( 0.004 2.713 4.403) 5.172 ======================= Grid point 340 (118/146) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -0.000 -14.448 -0.257) 14.450 2.921 ( 0.000 -5.866 -3.486) 6.824 3.234 ( 0.000 8.961 0.504) 8.975 3.271 ( -0.000 -18.399 -3.233) 18.681 4.074 ( 0.000 9.244 -5.005) 10.512 4.149 ( 0.000 2.629 -3.802) 4.622 5.010 ( -0.000 17.259 19.815) 26.278 5.429 ( -0.000 12.272 11.226) 16.632 5.510 ( -0.000 -17.987 1.875) 18.085 6.044 ( -0.000 -3.728 -0.465) 3.757 6.588 ( -0.000 -7.364 7.027) 10.179 6.869 ( 0.000 -4.221 -13.204) 13.862 6.995 ( 0.000 -7.022 -13.604) 15.310 7.876 ( 0.000 1.385 -12.584) 12.660 8.753 ( 0.000 -4.197 -9.152) 10.068 9.374 ( -0.000 -10.926 14.222) 17.934 9.383 ( -0.000 0.782 4.837) 4.900 10.642 ( 0.000 10.461 -5.669) 11.899 12.568 ( -0.000 4.630 1.841) 4.983 12.713 ( 0.000 -8.309 -8.239) 11.701 13.771 ( -0.000 2.036 3.015) 3.639 14.077 ( 0.000 4.349 -1.367) 4.559 14.488 ( -0.000 -5.306 3.055) 6.122 15.194 ( -0.000 0.160 0.825) 0.840 16.491 ( -0.000 0.803 8.499) 8.537 16.995 ( 0.000 -15.927 -15.313) 22.095 17.456 ( 0.000 4.357 -11.367) 12.174 18.293 ( 0.000 5.888 -3.736) 6.973 19.757 ( -0.000 1.693 11.135) 11.263 19.941 ( -0.000 2.313 4.765) 5.297 ======================= Grid point 401 (119/146) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -0.000 -0.000 29.722) 29.722 1.840 ( -0.000 -0.000 29.722) 29.722 3.263 ( -0.000 -0.000 40.144) 40.144 3.279 ( 0.000 0.000 -0.034) 0.034 4.090 ( 0.000 0.000 -14.014) 14.014 4.090 ( 0.000 0.000 -14.014) 14.014 4.397 ( -0.000 -0.000 1.231) 1.231 5.986 ( -0.000 -0.000 11.730) 11.730 5.986 ( -0.000 -0.000 11.730) 11.730 6.679 ( -0.000 -0.000 4.079) 4.079 6.679 ( -0.000 0.000 4.079) 4.079 7.261 ( 0.000 0.000 -20.631) 20.631 7.525 ( -0.000 -0.000 5.951) 5.951 7.525 ( -0.000 -0.000 5.951) 5.951 8.547 ( 0.000 0.000 -6.180) 6.180 8.547 ( 0.000 0.000 -6.180) 6.180 10.788 ( -0.000 -0.000 0.869) 0.869 11.287 ( 0.000 0.000 -5.627) 5.627 12.286 ( -0.000 -0.000 9.444) 9.444 12.286 ( -0.000 -0.000 9.444) 9.444 13.630 ( 0.000 0.000 -11.514) 11.514 13.630 ( 0.000 0.000 -11.514) 11.514 14.316 ( -0.000 -0.000 12.065) 12.065 15.313 ( 0.000 0.000 -6.502) 6.502 16.159 ( -0.000 -0.000 25.298) 25.298 16.159 ( -0.000 -0.000 25.298) 25.298 18.406 ( 0.000 0.000 -14.701) 14.701 18.406 ( 0.000 0.000 -14.701) 14.701 19.971 ( -0.000 -0.000 2.150) 2.150 20.021 ( 0.000 0.000 -0.047) 0.047 ======================= Grid point 402 (120/146) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 4.032 2.328 24.823) 25.256 2.171 ( 8.301 4.792 29.026) 30.568 3.260 ( -1.842 -1.064 1.374) 2.532 3.564 ( 6.850 3.955 19.958) 21.468 3.796 ( -6.893 -3.980 -14.841) 16.840 4.198 ( 6.395 3.692 -9.999) 12.430 4.498 ( 6.795 3.923 11.184) 13.661 5.861 ( -13.699 -7.909 10.400) 18.930 6.062 ( -2.841 -1.640 13.468) 13.861 6.549 ( -6.737 -3.889 -3.017) 8.343 6.781 ( -0.977 -0.564 -3.296) 3.484 7.136 ( 2.011 1.161 -13.828) 14.021 7.493 ( -0.783 -0.452 11.208) 11.244 7.712 ( 6.561 3.788 5.447) 9.331 8.473 ( 0.260 0.150 -7.511) 7.517 8.640 ( 8.371 4.833 -7.215) 12.062 10.372 ( -26.794 -15.469 15.074) 34.416 11.167 ( -7.018 -4.052 -6.988) 10.701 12.326 ( 0.831 0.480 9.268) 9.317 12.754 ( 21.071 12.166 2.388) 24.448 13.515 ( 2.371 1.369 -12.529) 12.824 13.706 ( 7.023 4.055 -10.461) 13.236 14.413 ( 3.184 1.838 8.918) 9.646 15.168 ( -8.754 -5.054 -4.963) 11.261 16.220 ( -1.051 -0.607 22.571) 22.604 16.515 ( 7.998 4.618 26.309) 27.883 18.156 ( -7.885 -4.552 -17.791) 19.985 18.366 ( -0.096 -0.055 -11.416) 11.417 19.956 ( -1.642 -0.948 1.061) 2.173 20.010 ( -0.845 -0.488 -0.401) 1.055 ======================= Grid point 403 (121/146) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 6.060 3.499 18.117) 19.421 2.538 ( 7.394 4.269 25.951) 27.320 3.232 ( -1.574 -0.909 3.514) 3.956 3.598 ( -2.576 -1.487 -12.419) 12.770 3.756 ( 5.542 3.200 -4.474) 7.808 4.275 ( 5.298 3.059 -7.024) 9.315 4.848 ( 11.774 6.797 19.462) 23.740 5.562 ( -15.738 -9.087 10.987) 21.236 6.062 ( -4.014 -2.318 11.948) 12.816 6.311 ( -9.437 -5.448 -8.640) 13.906 6.571 ( -9.336 -5.390 -13.266) 17.094 7.187 ( 4.630 2.673 -6.077) 8.094 7.605 ( 1.391 0.803 15.159) 15.244 7.873 ( 3.526 2.036 6.517) 7.684 8.435 ( 0.315 0.182 -6.972) 6.982 8.831 ( 12.314 7.109 -8.105) 16.366 9.989 ( -16.565 -9.564 23.312) 30.155 10.886 ( -12.089 -6.980 -10.282) 17.337 12.412 ( 1.097 0.634 8.200) 8.297 13.070 ( 5.479 3.163 1.585) 6.522 13.594 ( 10.507 6.066 -9.872) 15.641 13.795 ( 5.129 2.961 -5.488) 8.075 14.593 ( 9.058 5.230 2.019) 10.652 14.892 ( -11.924 -6.884 -3.395) 14.181 16.364 ( 1.070 0.618 19.096) 19.136 16.849 ( 6.398 3.694 24.691) 25.772 17.830 ( -9.382 -5.417 -19.666) 22.452 18.272 ( -2.877 -1.661 -5.949) 6.814 19.927 ( -0.572 -0.330 -1.366) 1.517 19.977 ( -1.437 -0.830 -1.702) 2.377 ======================= Grid point 404 (122/146) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 6.467 3.734 12.735) 14.762 2.828 ( 4.378 2.528 20.750) 21.357 3.222 ( -2.043 -1.179 2.679) 3.569 3.531 ( 2.607 1.505 -5.964) 6.680 3.800 ( 3.052 1.762 -10.676) 11.242 4.344 ( 5.731 3.309 -10.451) 12.370 4.934 ( -14.402 -8.315 9.721) 19.263 5.494 ( 1.994 1.151 4.755) 5.283 6.026 ( -4.408 -2.545 3.590) 6.228 6.153 ( 2.533 1.462 3.494) 4.556 6.285 ( -8.350 -4.821 -6.188) 11.457 7.187 ( -0.012 -0.007 -11.421) 11.421 7.696 ( -2.488 -1.437 15.565) 15.828 7.902 ( -6.109 -3.527 5.347) 8.851 8.432 ( 2.926 1.689 -0.682) 3.447 9.070 ( 12.259 7.078 -8.174) 16.346 9.914 ( -3.643 -2.103 23.722) 24.092 10.506 ( -13.635 -7.872 -13.840) 20.962 12.472 ( 0.094 0.054 6.104) 6.105 13.084 ( -4.305 -2.485 3.581) 6.126 13.805 ( 9.917 5.725 -5.759) 12.817 13.867 ( 3.080 1.778 -1.333) 3.798 14.631 ( -7.385 -4.264 -3.512) 9.223 14.822 ( 10.116 5.841 -1.281) 11.751 16.488 ( -0.403 -0.233 14.912) 14.919 17.112 ( 3.057 1.765 21.417) 21.706 17.508 ( -7.023 -4.055 -17.793) 19.554 18.171 ( -3.614 -2.086 -0.994) 4.290 19.915 ( 0.854 0.493 -3.652) 3.783 19.925 ( -1.474 -0.851 -3.839) 4.199 ======================= Grid point 405 (123/146) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 6.632 3.829 9.891) 12.509 2.993 ( 0.250 0.144 13.173) 13.176 3.142 ( -4.839 -2.794 -2.223) 6.014 3.641 ( 7.315 4.223 1.649) 8.606 3.746 ( -3.457 -1.996 -5.879) 7.106 4.389 ( 0.820 0.473 -8.938) 8.988 4.644 ( -6.626 -3.826 -1.421) 7.782 5.433 ( -2.087 -1.205 -11.242) 11.497 5.879 ( -6.099 -3.521 -6.735) 9.744 6.161 ( -3.333 -1.925 4.977) 6.292 6.472 ( 13.086 7.555 16.974) 22.725 7.049 ( -4.164 -2.404 -14.674) 15.442 7.648 ( -16.828 -9.716 1.823) 19.516 7.711 ( -4.168 -2.406 15.850) 16.565 8.558 ( 4.939 2.852 7.448) 9.381 9.257 ( 8.070 4.659 -6.594) 11.416 10.092 ( 5.990 3.458 18.454) 19.708 10.102 ( -12.869 -7.430 -16.053) 21.875 12.502 ( -0.153 -0.088 3.906) 3.910 12.970 ( -7.468 -4.312 5.603) 10.284 13.872 ( -1.250 -0.722 -3.990) 4.243 13.925 ( 2.292 1.323 0.808) 2.768 14.563 ( 2.631 1.519 -4.150) 5.143 15.021 ( 7.801 4.504 -1.666) 9.160 16.524 ( -2.154 -1.243 6.034) 6.526 17.241 ( -3.262 -1.883 17.403) 17.806 17.325 ( -1.227 -0.708 -7.851) 7.978 18.117 ( -1.189 -0.686 3.131) 3.419 19.863 ( -0.864 -0.499 -6.490) 6.566 19.917 ( 1.711 0.988 -4.937) 5.318 ======================= Grid point 406 (124/146) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -6.438 -3.717 5.590) 9.301 3.006 ( -4.112 -2.374 5.737) 7.447 3.065 ( 5.435 3.138 -2.991) 6.952 3.568 ( -10.690 -6.172 1.489) 12.433 3.849 ( 8.542 4.932 4.460) 10.825 4.206 ( -8.534 -4.927 1.328) 9.944 4.751 ( 16.530 9.543 -19.138) 27.029 5.359 ( 2.450 1.415 -10.716) 11.084 5.720 ( -5.251 -3.031 -2.447) 6.538 6.122 ( -2.882 -1.664 1.501) 3.651 6.790 ( 4.110 2.373 14.892) 15.630 6.829 ( -6.931 -4.001 -12.898) 15.179 7.234 ( -18.663 -10.775 5.001) 22.123 7.757 ( -0.238 -0.138 15.712) 15.714 8.704 ( 2.052 1.185 9.972) 10.250 9.359 ( 4.236 2.446 -5.295) 7.209 9.717 ( -11.420 -6.593 -16.422) 21.061 10.374 ( 9.184 5.303 11.665) 15.765 12.522 ( 0.746 0.431 0.970) 1.298 12.834 ( -7.715 -4.454 7.102) 11.393 13.791 ( -1.942 -1.121 -3.326) 4.012 13.990 ( 2.803 1.618 1.750) 3.679 14.580 ( -0.248 -0.143 -4.749) 4.758 15.151 ( 4.235 2.445 -1.315) 5.064 16.506 ( 0.308 0.178 -2.781) 2.804 17.184 ( -10.391 -6.000 14.898) 19.129 17.333 ( 2.246 1.297 4.139) 4.885 18.167 ( 2.959 1.708 5.043) 6.092 19.804 ( 0.216 0.125 -9.156) 9.159 19.927 ( 2.017 1.165 -5.210) 5.707 ======================= Grid point 413 (125/146) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -0.000 5.909 24.219) 24.929 2.363 ( -0.000 10.434 28.949) 30.773 3.275 ( -0.000 -1.384 2.576) 2.924 3.555 ( 0.000 -7.870 -4.108) 8.878 3.764 ( 0.000 0.886 -2.752) 2.891 4.134 ( 0.000 11.989 -16.899) 20.720 4.594 ( -0.000 4.454 24.827) 25.223 5.931 ( -0.000 -15.886 10.041) 18.793 6.169 ( -0.000 -1.852 14.591) 14.708 6.424 ( 0.000 -18.558 -7.099) 19.870 6.868 ( -0.000 5.559 1.618) 5.789 6.990 ( 0.000 0.309 -19.589) 19.592 7.600 ( -0.000 4.507 12.746) 13.519 7.741 ( -0.000 5.954 6.688) 8.955 8.436 ( 0.000 2.710 -7.783) 8.241 8.581 ( 0.000 8.590 -9.492) 12.802 10.405 ( -0.000 -32.535 13.368) 35.174 11.141 ( 0.000 -5.946 -7.053) 9.225 12.556 ( -0.000 8.313 13.074) 15.493 12.655 ( 0.000 17.767 2.409) 17.929 13.431 ( 0.000 4.655 -14.728) 15.447 13.650 ( 0.000 11.207 -12.089) 16.484 14.434 ( -0.000 -4.503 11.286) 12.151 15.160 ( 0.000 -5.125 -6.811) 8.524 16.311 ( -0.000 -8.606 24.937) 26.380 16.737 ( -0.000 13.370 26.183) 29.399 18.051 ( 0.000 -7.558 -17.744) 19.287 18.291 ( 0.000 3.170 -15.556) 15.876 19.946 ( -0.000 -4.989 1.880) 5.331 20.005 ( -0.000 -1.648 -0.292) 1.674 ======================= Grid point 414 (126/146) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 0.173 7.603 19.514) 20.943 2.683 ( 2.875 8.559 27.136) 28.598 3.273 ( -1.363 -0.481 4.190) 4.432 3.434 ( 3.345 -7.545 -11.847) 14.438 3.758 ( -1.268 5.222 -6.970) 8.801 4.167 ( 4.109 6.898 -16.181) 18.063 4.898 ( 7.127 6.381 27.804) 29.404 5.727 ( -9.376 -17.418 9.795) 22.073 6.097 ( -3.964 -16.916 -3.450) 17.714 6.270 ( 0.410 -7.192 7.253) 10.223 6.669 ( -13.365 1.277 -12.838) 18.576 7.055 ( 7.168 0.791 -7.985) 10.759 7.732 ( -1.036 5.719 15.346) 16.410 7.910 ( 4.972 7.490 7.648) 11.803 8.416 ( -1.474 4.775 -7.533) 9.040 8.669 ( 7.666 8.275 -10.879) 15.671 10.139 ( -5.732 -25.280 19.051) 32.169 10.941 ( -9.097 -7.289 -9.455) 15.009 12.599 ( -7.950 10.424 10.585) 16.849 12.943 ( 10.379 0.744 1.603) 10.528 13.487 ( 5.985 13.114 -10.760) 17.988 13.728 ( 4.024 10.610 -10.246) 15.289 14.494 ( 5.507 -4.666 8.149) 10.886 14.988 ( -8.229 -4.959 -6.030) 11.343 16.421 ( 3.497 -6.823 22.557) 23.824 17.036 ( 0.365 11.070 24.442) 26.835 17.797 ( -6.956 -5.053 -19.440) 21.257 18.226 ( 0.500 1.155 -12.823) 12.884 19.900 ( 0.011 -5.464 1.162) 5.587 19.973 ( -0.893 -2.452 -1.108) 2.835 ======================= Grid point 415 (127/146) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 0.827 7.724 14.387) 16.350 2.943 ( 1.504 2.680 22.634) 22.842 3.268 ( -2.076 0.710 0.752) 2.319 3.415 ( 6.094 -1.190 -2.994) 6.893 3.737 ( 0.164 5.211 -11.628) 12.743 4.188 ( 5.566 1.450 -15.508) 16.540 5.107 ( -6.724 -7.048 12.104) 15.537 5.493 ( -5.373 -12.249 3.858) 13.921 5.917 ( 8.392 -12.211 5.392) 15.767 6.251 ( -6.073 1.426 3.686) 7.246 6.393 ( -9.858 1.002 -4.828) 11.023 7.053 ( 2.254 -4.015 -12.071) 12.920 7.875 ( -1.399 4.670 16.639) 17.338 8.064 ( -4.339 7.400 5.880) 10.400 8.392 ( 0.644 2.636 -3.511) 4.438 8.852 ( 12.882 6.603 -11.525) 18.503 10.013 ( -0.404 -15.314 21.573) 26.459 10.590 ( -14.105 -6.517 -13.258) 20.426 12.618 ( -7.477 7.436 8.002) 13.237 13.045 ( 4.966 -7.149 1.282) 8.798 13.694 ( 7.822 11.543 -4.492) 14.649 13.836 ( 3.459 6.720 -5.002) 9.063 14.619 ( 6.187 -4.805 3.245) 8.479 14.769 ( -5.507 0.829 -5.488) 7.819 16.563 ( 2.842 -4.442 18.999) 19.718 17.223 ( -2.447 0.899 10.083) 10.415 17.541 ( -6.666 3.916 -8.518) 11.504 18.164 ( -0.210 -0.530 -7.723) 7.744 19.863 ( 1.061 -3.950 -0.770) 4.162 19.914 ( -1.482 -2.485 -2.855) 4.065 ======================= Grid point 416 (128/146) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 1.988 6.911 10.592) 12.802 3.058 ( -0.548 -3.938 10.384) 11.119 3.228 ( -5.253 2.072 3.935) 6.883 3.563 ( 7.924 3.830 3.524) 9.480 3.720 ( 0.755 3.317 -9.709) 10.288 4.201 ( 8.179 -0.688 -16.245) 18.201 4.798 ( -16.343 -14.031 4.881) 22.086 5.261 ( -0.212 -16.830 -8.825) 19.004 6.025 ( -9.751 8.548 -6.737) 14.612 6.200 ( 3.835 -2.529 7.265) 8.595 6.427 ( 7.862 3.648 15.407) 17.677 6.920 ( -0.286 -7.806 -14.001) 16.033 7.919 ( -16.576 1.910 1.250) 16.733 7.969 ( -8.271 6.236 15.396) 18.556 8.493 ( 7.514 -0.539 5.431) 9.287 9.059 ( 12.885 3.801 -11.487) 17.675 10.086 ( 4.438 -7.671 17.005) 19.176 10.195 ( -13.079 -3.231 -13.322) 18.946 12.599 ( -5.990 3.863 5.019) 8.717 13.009 ( -0.808 -9.268 3.636) 9.988 13.852 ( 2.147 3.534 -2.601) 4.885 13.904 ( 2.008 2.245 -1.553) 3.389 14.570 ( -2.521 3.732 -2.160) 4.995 14.869 ( 10.572 0.551 -1.544) 10.698 16.629 ( -4.307 -0.548 9.268) 10.234 17.126 ( 2.093 -8.911 -5.608) 10.735 17.562 ( -6.645 10.103 11.929) 16.986 18.122 ( 0.521 -0.958 -2.148) 2.409 19.832 ( -0.994 -2.094 -4.466) 5.032 19.857 ( 1.429 -1.426 -3.437) 3.986 ======================= Grid point 417 (129/146) ======================= q-point: (-0.27 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 0.262 0.902 -1.982) 2.193 2.997 ( -3.287 -5.466 6.451) 9.072 3.198 ( -6.076 4.722 8.778) 11.673 3.640 ( -4.142 -3.685 -1.346) 5.705 3.805 ( 7.536 6.738 4.688) 11.144 4.211 ( 2.492 -4.807 -11.131) 12.378 4.522 ( 0.830 -2.101 -5.464) 5.912 5.101 ( 7.353 -15.247 -8.719) 19.041 5.878 ( -10.628 9.419 -6.959) 15.815 6.224 ( -4.195 3.296 2.724) 5.990 6.715 ( 2.549 -8.769 -3.259) 9.696 6.774 ( 7.599 -2.094 7.467) 10.858 7.568 ( -22.452 -0.901 1.825) 22.544 8.000 ( -8.727 8.019 17.303) 20.972 8.650 ( 7.828 -5.001 7.849) 12.161 9.202 ( 9.518 0.503 -11.197) 14.705 9.804 ( -14.209 -0.166 -15.443) 20.985 10.312 ( 9.810 -2.082 13.512) 16.827 12.559 ( -3.673 0.953 1.810) 4.204 12.906 ( -3.300 -9.288 5.367) 11.224 13.811 ( -3.389 -0.141 -2.626) 4.290 13.961 ( 2.894 0.888 0.738) 3.116 14.590 ( -1.336 5.216 -3.625) 6.491 15.038 ( 9.240 -0.104 -0.487) 9.253 16.550 ( -6.038 3.175 -3.968) 7.892 17.123 ( 6.473 -11.513 7.328) 15.105 17.577 ( -10.047 7.600 10.859) 16.631 18.149 ( 3.202 -0.109 1.979) 3.766 19.759 ( -1.253 0.040 -7.336) 7.442 19.864 ( 2.436 0.123 -4.095) 4.766 ======================= Grid point 425 (130/146) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -0.000 5.423 18.059) 18.856 2.932 ( -0.000 9.675 23.697) 25.596 3.253 ( 0.000 -3.770 -12.967) 13.504 3.340 ( -0.000 2.495 9.304) 9.632 3.760 ( 0.000 3.302 -8.945) 9.535 4.068 ( 0.000 5.067 -21.644) 22.229 5.089 ( -0.000 5.591 29.346) 29.874 5.651 ( -0.000 -22.500 7.246) 23.638 5.859 ( 0.000 -22.355 -11.843) 25.298 6.294 ( -0.000 -5.634 15.575) 16.563 6.790 ( 0.000 4.372 -16.814) 17.373 6.895 ( 0.000 -0.730 -3.909) 3.976 7.898 ( -0.000 0.201 6.465) 6.468 7.975 ( -0.000 11.650 15.119) 19.087 8.472 ( 0.000 10.159 -6.775) 12.211 8.605 ( 0.000 8.139 -12.688) 15.074 10.030 ( -0.000 -26.220 19.101) 32.439 10.893 ( 0.000 -7.457 -9.633) 12.182 12.810 ( 0.000 -1.160 -2.280) 2.558 12.905 ( -0.000 7.672 13.473) 15.504 13.512 ( 0.000 18.567 -10.882) 21.521 13.742 ( 0.000 11.990 -10.029) 15.631 14.437 ( -0.000 -7.994 9.776) 12.628 14.977 ( 0.000 -3.269 -6.893) 7.629 16.451 ( -0.000 -8.827 22.437) 24.111 17.311 ( -0.000 11.055 22.718) 25.265 17.690 ( 0.000 -3.744 -19.286) 19.646 18.140 ( 0.000 2.567 -15.768) 15.976 19.846 ( -0.000 -7.475 2.824) 7.990 19.943 ( 0.000 -3.587 -1.030) 3.732 ======================= Grid point 426 (131/146) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 0.895 2.875 14.222) 14.538 3.096 ( -2.408 2.327 9.125) 9.720 3.236 ( 5.418 3.982 -2.208) 7.077 3.441 ( -2.858 5.651 14.073) 15.432 3.722 ( -0.895 4.402 -10.952) 11.838 3.985 ( 4.125 -0.844 -21.211) 21.625 5.218 ( -7.277 -9.361 12.631) 17.324 5.471 ( -7.775 -17.968 -2.187) 19.700 5.646 ( 13.442 -11.890 10.027) 20.557 6.331 ( -0.045 -4.803 10.437) 11.489 6.591 ( -12.496 5.593 -7.916) 15.814 6.910 ( 2.299 -0.926 -11.771) 12.029 7.952 ( 3.979 -2.535 9.385) 10.504 8.220 ( 2.917 9.983 9.138) 13.845 8.482 ( -5.409 10.041 -4.258) 12.175 8.657 ( 5.803 6.642 -12.635) 15.409 9.938 ( 2.541 -20.242 20.108) 28.645 10.663 ( -9.996 -5.715 -12.253) 16.815 12.826 ( 5.593 -4.046 -0.895) 6.960 12.945 ( -8.893 4.834 6.793) 12.190 13.688 ( 5.092 12.570 -3.177) 13.929 13.819 ( 2.459 9.071 -7.096) 11.777 14.478 ( 6.286 -5.210 6.873) 10.672 14.855 ( -6.486 0.598 -6.159) 8.964 16.547 ( 5.103 -8.562 19.877) 22.236 17.358 ( -11.569 0.384 -8.393) 14.298 17.644 ( 2.957 6.841 7.588) 10.636 18.083 ( 1.321 2.086 -13.191) 13.420 19.799 ( 0.794 -6.518 2.675) 7.090 19.890 ( -0.980 -3.599 -1.625) 4.068 ======================= Grid point 427 (132/146) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 2.224 1.698 10.927) 11.280 3.079 ( -2.455 -0.107 -1.544) 2.902 3.388 ( 0.040 4.812 10.232) 11.307 3.534 ( 1.498 5.896 6.086) 8.605 3.691 ( -0.477 4.094 -6.065) 7.333 3.929 ( 6.960 -2.739 -18.652) 20.095 4.952 ( -12.937 -15.705 5.585) 21.100 5.071 ( -7.663 -20.736 -6.980) 23.182 6.008 ( 17.739 -1.556 15.954) 23.908 6.280 ( -8.815 8.218 -10.128) 15.742 6.484 ( -1.982 -2.152 13.686) 13.995 6.792 ( -3.024 -2.105 -15.346) 15.782 8.094 ( 7.602 -4.607 11.117) 14.234 8.241 ( -12.677 6.685 -3.275) 14.701 8.517 ( -3.927 9.202 8.861) 13.364 8.765 ( 12.546 1.711 -14.478) 19.234 9.990 ( 7.628 -13.117 19.101) 24.395 10.320 ( -14.191 -1.485 -14.889) 20.622 12.826 ( -10.134 2.980 4.598) 11.521 12.875 ( 4.479 -8.963 -0.565) 10.036 13.843 ( 3.381 4.707 0.034) 5.795 13.884 ( 1.192 3.521 -3.499) 5.105 14.616 ( 6.697 -0.701 6.199) 9.153 14.747 ( -2.620 5.603 -7.024) 9.359 16.695 ( 5.697 -6.775 17.973) 20.034 17.052 ( -10.611 -0.646 -17.477) 20.456 17.816 ( -1.374 7.197 13.330) 15.211 18.048 ( 2.114 0.136 -9.448) 9.682 19.782 ( 1.680 -3.880 1.254) 4.410 19.822 ( -1.626 -2.165 -2.748) 3.857 ======================= Grid point 428 (133/146) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -4.658 0.170 -4.354) 6.378 3.019 ( 0.369 -4.722 6.140) 7.754 3.433 ( -6.636 4.684 13.644) 15.879 3.624 ( 1.240 -1.107 -9.083) 9.234 3.793 ( 5.798 8.141 9.945) 14.099 3.953 ( 10.215 1.754 -16.518) 19.501 4.582 ( -13.506 -10.528 2.784) 17.349 4.790 ( 2.066 -19.767 -5.454) 20.609 6.127 ( -11.176 10.941 -8.779) 17.935 6.294 ( 5.339 0.312 7.921) 9.557 6.583 ( -2.862 -3.548 -9.694) 10.712 6.648 ( 9.109 -4.176 10.649) 14.622 7.963 ( -20.922 3.797 -3.085) 21.486 8.241 ( 5.211 -5.036 12.002) 14.021 8.583 ( -3.659 5.152 10.537) 12.287 8.908 ( 13.712 -1.690 -14.472) 20.008 9.977 ( -14.505 3.615 -14.206) 20.622 10.169 ( 11.004 -7.859 13.814) 19.331 12.685 ( -8.780 -0.265 1.183) 8.863 12.836 ( 1.705 -10.912 1.699) 11.174 13.864 ( -3.070 1.237 -0.872) 3.422 13.919 ( 2.829 -0.167 0.236) 2.844 14.685 ( -4.070 8.748 -3.181) 10.159 14.853 ( 11.458 -0.436 1.679) 11.589 16.709 ( -10.787 4.287 -4.861) 12.584 16.921 ( 9.196 -9.641 5.731) 14.504 17.867 ( -8.192 5.501 8.269) 12.874 18.062 ( 5.512 -2.381 -3.144) 6.778 19.757 ( -2.118 0.768 -3.349) 4.037 19.799 ( 2.440 -0.910 -1.030) 2.801 ======================= Grid point 437 (134/146) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -0.000 -2.520 9.175) 9.515 3.148 ( 0.000 5.794 -8.021) 9.894 3.263 ( -0.000 2.085 11.914) 12.095 3.673 ( -0.000 7.714 15.657) 17.455 3.707 ( 0.000 5.203 -10.224) 11.472 3.788 ( 0.000 -1.044 -18.138) 18.168 5.197 ( -0.000 -26.958 -1.222) 26.986 5.398 ( -0.000 -13.390 -1.237) 13.447 5.489 ( -0.000 1.865 20.070) 20.156 6.324 ( -0.000 -8.861 10.460) 13.709 6.745 ( 0.000 12.045 -16.059) 20.074 6.814 ( 0.000 -1.746 -1.626) 2.386 7.889 ( -0.000 -8.114 3.808) 8.963 8.250 ( 0.000 2.076 -4.298) 4.773 8.617 ( 0.000 11.424 -6.294) 13.043 8.690 ( -0.000 12.615 2.836) 12.929 9.840 ( -0.000 -19.043 19.859) 27.514 10.623 ( 0.000 -4.275 -12.782) 13.478 12.692 ( 0.000 -4.251 -4.244) 6.007 13.130 ( -0.000 0.946 5.481) 5.562 13.728 ( 0.000 9.061 -2.038) 9.287 13.849 ( 0.000 7.757 -4.061) 8.755 14.422 ( -0.000 -2.446 5.742) 6.241 14.900 ( 0.000 3.860 -4.480) 5.913 16.521 ( -0.000 -9.756 16.421) 19.100 17.436 ( 0.000 2.189 -16.594) 16.738 17.663 ( -0.000 1.153 6.255) 6.360 18.045 ( 0.000 6.108 -7.138) 9.395 19.750 ( -0.000 -6.626 4.873) 8.225 19.857 ( -0.000 -3.284 -0.440) 3.313 ======================= Grid point 438 (135/146) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 3.610 -2.076 6.138) 7.417 3.126 ( -2.670 1.970 -5.402) 6.340 3.371 ( 5.945 -0.681 1.113) 6.086 3.616 ( -2.080 2.871 -7.565) 8.354 3.736 ( 3.092 4.868 -11.280) 12.669 3.853 ( -5.490 7.620 17.489) 19.852 4.870 ( -4.876 -23.478 -2.071) 24.068 5.147 ( -13.843 -10.475 2.418) 17.527 5.785 ( 16.211 -1.349 14.729) 21.945 6.312 ( 1.912 -4.744 1.641) 5.371 6.658 ( -9.289 4.425 0.400) 10.297 6.786 ( -3.616 4.402 -11.322) 12.674 7.883 ( 8.548 -12.331 3.486) 15.404 8.276 ( 8.543 -1.050 -13.501) 16.011 8.622 ( -5.217 7.619 -6.772) 11.451 8.827 ( -5.018 12.925 10.505) 17.395 9.846 ( 6.063 -14.975 18.799) 24.787 10.426 ( -9.013 -0.101 -14.366) 16.959 12.678 ( 5.348 -5.625 -2.933) 8.297 13.047 ( -9.219 -1.909 0.502) 9.428 13.814 ( 3.066 1.271 1.102) 3.497 13.900 ( 0.283 4.814 -1.584) 5.076 14.507 ( 6.416 1.066 3.886) 7.576 14.882 ( -5.378 7.663 -2.696) 9.742 16.581 ( 6.737 -8.912 12.309) 16.623 17.205 ( -14.263 3.181 -13.372) 19.808 17.774 ( 10.145 -2.266 -4.611) 11.371 18.068 ( -2.592 5.968 -0.004) 6.507 19.735 ( 1.013 -4.569 5.082) 6.909 19.822 ( -1.175 -1.388 0.421) 1.867 ======================= Grid point 449 (136/146) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( -0.000 1.521 3.354) 3.683 3.118 ( 0.000 -1.576 -5.943) 6.148 3.234 ( 0.000 -6.905 -9.035) 11.372 3.643 ( -0.000 2.558 2.142) 3.337 3.735 ( 0.000 8.937 -7.312) 11.547 4.105 ( -0.000 8.084 17.578) 19.347 4.677 ( -0.000 -20.230 -2.538) 20.388 5.249 ( -0.000 -4.750 6.547) 8.089 5.691 ( -0.000 -1.533 11.415) 11.517 6.234 ( -0.000 -6.497 0.849) 6.552 6.804 ( 0.000 13.153 -15.956) 20.678 6.804 ( -0.000 -4.033 7.840) 8.816 7.666 ( -0.000 -16.646 -0.449) 16.652 8.039 ( 0.000 -4.482 -16.983) 17.564 8.720 ( 0.000 7.772 -8.130) 11.247 9.070 ( -0.000 11.757 11.409) 16.382 9.761 ( -0.000 -14.737 18.729) 23.832 10.421 ( 0.000 2.512 -14.667) 14.881 12.571 ( 0.000 -2.842 -2.906) 4.065 13.073 ( 0.000 -6.353 -4.149) 7.588 13.798 ( -0.000 -1.943 3.494) 3.998 13.937 ( 0.000 4.002 -0.700) 4.063 14.496 ( -0.000 3.394 2.604) 4.278 15.002 ( 0.000 7.910 0.005) 7.910 16.505 ( -0.000 -6.521 7.774) 10.147 17.342 ( 0.000 4.530 -9.364) 10.402 17.537 ( 0.000 -5.914 -11.708) 13.117 18.142 ( 0.000 3.895 -0.278) 3.905 19.727 ( -0.000 -3.459 7.403) 8.171 19.838 ( -0.000 0.258 2.954) 2.966 ======================= Grid point 534 (137/146) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -0.000 -0.000 27.803) 27.803 2.401 ( -0.000 -0.000 27.803) 27.803 3.307 ( -0.000 -0.000 3.058) 3.058 3.659 ( -0.000 -0.000 1.204) 1.204 3.776 ( 0.000 -0.000 -18.309) 18.309 3.776 ( 0.000 0.000 -18.309) 18.309 4.742 ( -0.000 -0.000 33.848) 33.848 6.232 ( -0.000 -0.000 13.000) 13.000 6.232 ( -0.000 0.000 13.000) 13.000 6.715 ( 0.000 -0.000 -0.801) 0.801 6.715 ( -0.000 0.000 -0.801) 0.801 6.792 ( 0.000 0.000 -27.582) 27.582 7.681 ( -0.000 -0.000 10.150) 10.150 7.681 ( -0.000 -0.000 10.150) 10.150 8.389 ( 0.000 0.000 -9.956) 9.956 8.389 ( 0.000 0.000 -9.956) 9.956 10.829 ( -0.000 -0.000 3.380) 3.380 11.167 ( 0.000 0.000 -6.559) 6.559 12.503 ( -0.000 -0.000 12.763) 12.763 12.503 ( -0.000 -0.000 12.763) 12.763 13.376 ( 0.000 0.000 -14.439) 14.439 13.376 ( 0.000 0.000 -14.439) 14.439 14.555 ( -0.000 -0.000 12.272) 12.272 15.170 ( 0.000 0.000 -8.258) 8.258 16.674 ( -0.000 -0.000 27.034) 27.034 16.674 ( -0.000 -0.000 27.034) 27.034 18.077 ( 0.000 0.000 -19.045) 19.045 18.077 ( 0.000 0.000 -19.045) 19.045 20.006 ( -0.000 -0.000 1.392) 1.392 20.023 ( -0.000 -0.000 0.198) 0.198 ======================= Grid point 535 (138/146) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -0.615 -0.355 22.942) 22.953 2.732 ( 7.426 4.287 28.342) 29.611 3.311 ( -1.745 -1.008 3.098) 3.696 3.491 ( -4.080 -2.355 -15.642) 16.336 3.623 ( 0.128 0.074 -7.515) 7.516 3.910 ( 10.588 6.113 -18.216) 21.939 5.019 ( 3.939 2.274 35.013) 35.307 6.071 ( -14.417 -8.324 10.957) 19.930 6.316 ( -5.151 -2.974 7.259) 9.385 6.462 ( -11.438 -6.604 -5.692) 14.382 6.531 ( -3.476 -2.007 -16.180) 16.670 6.943 ( 8.412 4.857 -7.791) 12.452 7.758 ( 2.355 1.360 15.330) 15.569 7.851 ( 5.630 3.251 8.807) 10.947 8.305 ( 1.169 0.675 -9.680) 9.773 8.456 ( 8.575 4.951 -11.581) 15.237 10.618 ( -16.106 -9.299 10.995) 21.605 11.016 ( -9.202 -5.313 -8.534) 13.628 12.536 ( -0.677 -0.391 12.152) 12.177 12.875 ( 15.042 8.685 9.386) 19.743 13.261 ( 4.551 2.627 -13.234) 14.240 13.460 ( 9.921 5.728 -14.141) 18.199 14.613 ( -0.899 -0.519 10.880) 10.930 15.040 ( -6.584 -3.801 -7.951) 11.001 16.696 ( -4.505 -2.601 25.588) 26.111 17.031 ( 7.058 4.075 26.220) 27.457 17.770 ( -8.785 -5.072 -21.727) 23.979 18.084 ( 4.860 2.806 -17.289) 18.177 19.979 ( -2.635 -1.521 1.066) 3.224 20.004 ( -1.684 -0.972 -0.313) 1.969 ======================= Grid point 536 (139/146) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 1.347 0.778 17.006) 17.077 3.053 ( 4.269 2.465 26.477) 26.932 3.248 ( -1.382 -0.798 -7.697) 7.861 3.428 ( 1.757 1.014 0.786) 2.175 3.586 ( 1.943 1.122 -10.906) 11.134 4.009 ( 8.374 4.835 -18.179) 20.590 5.278 ( -1.479 -0.854 20.687) 20.758 5.772 ( -16.220 -9.365 8.130) 20.418 6.104 ( -7.396 -4.270 -16.172) 18.288 6.209 ( -4.534 -2.618 1.176) 5.366 6.435 ( -4.869 -2.811 7.365) 9.266 7.002 ( 2.600 1.501 -12.320) 12.680 7.921 ( 1.456 0.841 16.506) 16.592 8.013 ( 1.981 1.144 6.234) 6.641 8.314 ( 4.684 2.704 -4.420) 6.985 8.631 ( 13.114 7.571 -12.022) 19.335 10.381 ( -11.548 -6.667 17.322) 21.860 10.657 ( -14.950 -8.632 -13.267) 21.772 12.584 ( -1.490 -0.860 9.042) 9.204 13.137 ( 3.671 2.119 3.941) 5.787 13.429 ( 14.442 8.338 -6.431) 17.873 13.649 ( 11.700 6.755 -7.983) 15.692 14.686 ( 2.827 1.632 6.792) 7.536 14.789 ( -10.248 -5.917 -7.054) 13.776 16.769 ( -3.637 -2.100 21.096) 21.510 17.322 ( 4.066 2.348 23.281) 23.750 17.426 ( -7.778 -4.491 -21.006) 22.846 18.081 ( 3.603 2.080 -13.220) 13.859 19.918 ( -2.709 -1.564 0.133) 3.131 19.941 ( -3.048 -1.760 -1.985) 4.041 ======================= Grid point 537 (140/146) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 3.018 1.743 11.401) 11.922 3.173 ( -1.283 -0.741 -7.023) 7.177 3.240 ( -1.674 -0.967 19.605) 19.700 3.536 ( 5.321 3.072 6.279) 8.785 3.586 ( 4.224 2.439 -9.027) 10.261 4.065 ( 6.800 3.926 -17.704) 19.367 5.100 ( -18.996 -10.968 7.337) 23.130 5.459 ( -10.700 -6.177 -5.198) 13.404 5.850 ( -4.751 -2.743 -16.451) 17.342 6.355 ( -6.254 -3.611 6.487) 9.708 6.399 ( 11.921 6.882 18.002) 22.662 6.928 ( -1.204 -0.695 -12.857) 12.932 7.945 ( -8.510 -4.913 -1.026) 9.880 8.013 ( -2.493 -1.439 16.068) 16.324 8.490 ( 8.599 4.964 5.881) 11.540 8.870 ( 13.484 7.785 -11.579) 19.404 10.203 ( -15.228 -8.792 -17.287) 24.658 10.324 ( -3.722 -2.149 18.193) 18.694 12.592 ( -1.949 -1.125 5.956) 6.368 13.153 ( -2.847 -1.644 2.455) 4.103 13.726 ( 10.750 6.206 -2.073) 12.585 13.831 ( 6.438 3.717 -1.577) 7.599 14.539 ( -5.997 -3.462 -5.738) 8.992 14.832 ( 6.864 3.963 2.231) 8.233 16.714 ( -8.684 -5.014 2.542) 10.345 17.249 ( 0.705 0.407 -3.415) 3.511 17.504 ( -0.122 -0.071 17.653) 17.654 18.089 ( 3.006 1.736 -6.591) 7.449 19.843 ( -3.562 -2.056 -4.564) 6.144 19.865 ( -1.367 -0.789 -1.427) 2.128 ======================= Grid point 546 (141/146) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -0.000 0.915 22.285) 22.304 2.911 ( -0.000 9.042 26.894) 28.373 3.302 ( 0.000 -9.771 -16.878) 19.502 3.361 ( -0.000 0.515 6.291) 6.312 3.643 ( 0.000 2.526 -9.203) 9.544 3.753 ( 0.000 11.412 -21.890) 24.686 5.240 ( -0.000 1.183 36.340) 36.359 6.105 ( -0.000 -18.452 3.181) 18.724 6.211 ( 0.000 -18.989 -12.053) 22.491 6.467 ( -0.000 -0.570 15.233) 15.244 6.604 ( 0.000 1.655 -17.988) 18.064 6.831 ( 0.000 4.330 -5.554) 7.042 7.885 ( -0.000 6.940 15.707) 17.172 7.897 ( -0.000 4.253 9.280) 10.208 8.261 ( 0.000 4.786 -10.039) 11.121 8.358 ( 0.000 7.518 -13.237) 15.223 10.637 ( -0.000 -21.943 10.885) 24.495 10.990 ( 0.000 -7.648 -8.400) 11.360 12.759 ( -0.000 7.704 7.328) 10.632 12.833 ( -0.000 8.635 14.987) 17.297 13.141 ( 0.000 5.796 -14.340) 15.467 13.396 ( 0.000 13.877 -13.537) 19.387 14.657 ( -0.000 -5.683 11.283) 12.634 15.007 ( 0.000 -4.064 -8.825) 9.715 16.813 ( -0.000 -10.880 26.128) 28.303 17.240 ( -0.000 11.455 25.056) 27.550 17.659 ( 0.000 -6.782 -22.186) 23.199 17.946 ( 0.000 5.379 -19.807) 20.525 19.978 ( -0.000 -4.174 1.276) 4.364 20.001 ( -0.000 -2.398 -0.219) 2.408 ======================= Grid point 547 (142/146) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -2.645 3.254 17.722) 18.212 3.123 ( 1.551 -3.831 -8.101) 9.094 3.206 ( 4.185 4.105 16.347) 17.366 3.426 ( -0.314 2.546 6.851) 7.315 3.572 ( -2.083 4.720 -8.570) 10.003 3.792 ( 7.530 5.675 -20.684) 22.732 5.445 ( -3.010 -2.834 25.541) 25.873 5.816 ( -6.669 -19.187 -9.891) 22.593 6.022 ( 3.526 -16.129 8.288) 18.474 6.304 ( -14.312 1.964 -15.790) 21.401 6.582 ( -2.362 -0.294 13.261) 13.473 6.854 ( 3.707 -0.743 -12.759) 13.307 8.015 ( 3.030 2.543 11.983) 12.619 8.095 ( 1.116 8.326 9.542) 12.713 8.268 ( 0.802 7.689 -5.465) 9.468 8.424 ( 8.473 7.641 -13.757) 17.873 10.468 ( -2.915 -19.552 15.050) 24.845 10.731 ( -11.983 -8.972 -12.131) 19.268 12.802 ( -8.671 8.457 9.901) 15.644 12.949 ( 8.683 -4.848 -3.550) 10.559 13.372 ( 10.686 16.353 1.210) 19.572 13.513 ( 6.581 14.523 -10.806) 19.262 14.671 ( 1.800 -6.714 9.450) 11.731 14.847 ( -7.049 -3.816 -8.365) 11.586 16.884 ( 1.196 -9.600 24.318) 26.172 17.324 ( -8.836 -5.041 -15.787) 18.780 17.551 ( 0.803 9.586 15.026) 17.841 17.922 ( 5.182 3.772 -18.154) 19.252 19.926 ( -1.447 -4.665 1.368) 5.072 19.951 ( -1.989 -3.277 -1.158) 4.005 ======================= Grid point 548 (143/146) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -2.597 4.766 11.101) 12.357 3.077 ( 4.178 -1.697 -9.127) 10.181 3.388 ( -1.586 2.995 7.908) 8.603 3.466 ( 5.152 0.904 0.931) 5.313 3.613 ( -1.230 5.364 10.597) 11.941 3.830 ( 8.123 1.191 -19.670) 21.314 5.305 ( -14.311 -14.715 7.958) 22.015 5.428 ( -7.479 -18.939 -6.447) 21.359 5.970 ( -13.777 10.080 -16.265) 23.579 6.211 ( 14.169 -7.337 14.286) 21.417 6.584 ( -6.965 2.814 10.460) 12.878 6.790 ( 3.394 -5.828 -11.016) 12.917 8.088 ( -8.668 4.770 -3.456) 10.481 8.179 ( 0.980 3.694 12.017) 12.610 8.418 ( 5.612 6.094 6.627) 10.609 8.611 ( 14.548 5.178 -11.748) 19.403 10.297 ( -16.751 -6.925 -16.547) 24.543 10.384 ( 0.502 -13.390 16.370) 21.155 12.756 ( -9.520 5.966 5.766) 12.629 13.042 ( 9.173 -8.277 -2.379) 12.582 13.669 ( 6.218 13.558 0.977) 14.947 13.743 ( 8.893 7.707 -2.113) 11.956 14.617 ( -9.193 -0.465 -6.358) 11.187 14.738 ( 6.484 -3.833 5.021) 9.052 16.873 ( -12.872 -1.888 -0.823) 13.036 17.087 ( 6.759 -10.930 1.207) 12.907 17.735 ( -4.188 9.585 14.260) 17.685 17.960 ( 7.486 1.917 -10.950) 13.402 19.855 ( -3.612 -3.101 -2.789) 5.517 19.866 ( -1.475 -3.521 0.570) 3.860 ======================= Grid point 558 (144/146) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 0.000 -3.205 -0.950) 3.343 3.021 ( -0.000 3.386 1.842) 3.854 3.305 ( -0.000 1.816 12.912) 13.039 3.562 ( 0.000 7.710 -5.948) 9.738 3.565 ( 0.000 2.735 -9.856) 10.228 3.666 ( 0.000 6.688 1.373) 6.828 5.608 ( 0.000 -16.617 -13.797) 21.598 5.650 ( -0.000 -2.384 27.288) 27.392 5.784 ( -0.000 -24.215 4.898) 24.705 6.431 ( 0.000 6.320 -18.312) 19.371 6.550 ( -0.000 -7.704 4.996) 9.182 6.810 ( -0.000 1.792 0.816) 1.969 8.022 ( -0.000 -2.159 5.096) 5.534 8.175 ( 0.000 3.163 -3.090) 4.422 8.335 ( 0.000 12.093 -6.207) 13.592 8.427 ( 0.000 14.833 2.548) 15.050 10.371 ( -0.000 -21.509 16.113) 26.875 10.674 ( 0.000 -9.345 -13.013) 16.021 12.737 ( 0.000 -4.031 -5.934) 7.173 13.126 ( -0.000 3.727 7.219) 8.124 13.378 ( 0.000 20.794 -2.056) 20.895 13.587 ( 0.000 16.102 -3.714) 16.525 14.627 ( -0.000 -10.174 9.333) 13.807 14.832 ( 0.000 -1.008 -7.779) 7.844 16.882 ( -0.000 -13.911 18.781) 23.372 17.302 ( 0.000 -0.304 -17.458) 17.460 17.659 ( -0.000 2.576 2.382) 3.508 17.851 ( 0.000 9.440 -3.442) 10.048 19.898 ( -0.000 -5.615 2.478) 6.137 19.926 ( -0.000 -3.935 -0.696) 3.996 ======================= Grid point 668 (145/146) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( -0.000 -0.000 25.323) 25.323 2.918 ( -0.000 -0.000 25.323) 25.323 3.381 ( 0.000 0.000 -22.173) 22.173 3.381 ( 0.000 0.000 -22.173) 22.173 3.402 ( -0.000 -0.000 6.657) 6.657 3.553 ( 0.000 0.000 -8.238) 8.238 5.481 ( -0.000 -0.000 38.668) 38.668 6.192 ( 0.000 0.000 -33.965) 33.965 6.470 ( -0.000 -0.000 10.968) 10.968 6.470 ( -0.000 0.000 10.968) 10.968 6.643 ( 0.000 0.000 -6.522) 6.522 6.643 ( 0.000 0.000 -6.522) 6.522 7.911 ( -0.000 -0.000 13.006) 13.006 7.911 ( -0.000 -0.000 13.006) 13.006 8.166 ( 0.000 0.000 -12.717) 12.717 8.166 ( 0.000 0.000 -12.717) 12.717 10.917 ( -0.000 -0.000 5.538) 5.538 11.037 ( 0.000 0.000 -6.634) 6.634 12.776 ( -0.000 -0.000 15.105) 15.105 12.776 ( -0.000 -0.000 15.105) 15.105 13.079 ( 0.000 0.000 -15.746) 15.746 13.079 ( 0.000 0.000 -15.746) 15.746 14.786 ( -0.000 -0.000 11.341) 11.341 14.993 ( 0.000 0.000 -9.887) 9.887 17.192 ( -0.000 -0.000 25.861) 25.861 17.192 ( -0.000 -0.000 25.861) 25.861 17.668 ( 0.000 0.000 -22.912) 22.912 17.668 ( 0.000 0.000 -22.912) 22.912 20.024 ( -0.000 -0.000 0.473) 0.473 20.026 ( -0.000 -0.000 0.116) 0.116 ======================= Grid point 669 (146/146) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 3.34e-04 3.34e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -4.831 -2.789 20.269) 21.023 3.102 ( -3.022 -1.745 -19.478) 19.788 3.256 ( 6.808 3.930 23.588) 24.864 3.381 ( 4.372 2.524 -17.456) 18.171 3.466 ( 1.250 0.722 7.956) 8.086 3.569 ( 6.828 3.942 -13.153) 15.335 5.685 ( -4.224 -2.439 31.479) 31.855 5.916 ( -3.695 -2.133 -32.032) 32.315 6.255 ( -16.939 -9.780 2.950) 19.781 6.368 ( -7.424 -4.286 1.412) 8.687 6.634 ( -0.465 -0.268 9.072) 9.088 6.762 ( 5.478 3.163 -9.564) 11.467 8.033 ( 2.334 1.348 6.522) 7.057 8.059 ( 3.448 1.991 13.794) 14.357 8.117 ( 5.237 3.024 -6.410) 8.812 8.202 ( 9.075 5.239 -12.985) 16.686 10.816 ( -9.880 -5.704 9.512) 14.854 10.837 ( -12.968 -7.487 -9.781) 17.886 12.778 ( -4.067 -2.348 10.772) 11.751 13.030 ( 10.598 6.119 -8.284) 14.778 13.059 ( 6.194 3.576 2.301) 7.514 13.207 ( 15.838 9.144 -4.881) 18.928 14.820 ( -2.563 -1.480 10.283) 10.701 14.865 ( -5.573 -3.218 -9.953) 11.853 17.185 ( -7.528 -4.346 21.592) 23.276 17.324 ( -7.689 -4.439 -21.335) 23.109 17.516 ( 5.346 3.086 22.611) 23.439 17.705 ( 8.552 4.938 -20.788) 23.015 19.994 ( -2.574 -1.486 0.532) 3.019 19.995 ( -2.645 -1.527 -0.594) 3.111 =================== 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 3/39930 10.0 1244.499 1244.499 2154.518 0.000 -0.000 -0.000 3/39930 20.0 866.578 866.578 852.814 0.000 -0.000 -0.000 3/39930 30.0 327.307 327.307 326.350 0.000 -0.000 -0.000 3/39930 40.0 162.000 162.000 165.888 0.000 -0.000 -0.000 3/39930 50.0 97.599 97.599 101.168 0.000 -0.000 -0.000 3/39930 60.0 67.020 67.020 69.890 0.000 -0.000 -0.000 3/39930 70.0 50.144 50.144 52.469 0.000 -0.000 -0.000 3/39930 80.0 39.733 39.733 41.682 0.000 -0.000 -0.000 3/39930 90.0 32.760 32.760 34.452 0.000 -0.000 -0.000 3/39930 100.0 27.795 27.795 29.305 0.000 -0.000 -0.000 3/39930 110.0 24.092 24.092 25.469 0.000 -0.000 -0.000 3/39930 120.0 21.230 21.230 22.506 0.000 -0.000 -0.000 3/39930 130.0 18.958 18.958 20.152 0.000 -0.000 -0.000 3/39930 140.0 17.111 17.111 18.239 0.000 -0.000 -0.000 3/39930 150.0 15.584 15.584 16.656 0.000 -0.000 -0.000 3/39930 160.0 14.302 14.302 15.325 0.000 -0.000 -0.000 3/39930 170.0 13.211 13.211 14.191 0.000 -0.000 -0.000 3/39930 180.0 12.273 12.273 13.215 0.000 -0.000 -0.000 3/39930 190.0 11.458 11.458 12.365 0.000 -0.000 -0.000 3/39930 200.0 10.745 10.745 11.620 0.000 -0.000 -0.000 3/39930 210.0 10.115 10.115 10.960 0.000 -0.000 -0.000 3/39930 220.0 9.555 9.555 10.373 0.000 -0.000 -0.000 3/39930 230.0 9.054 9.054 9.847 0.000 -0.000 -0.000 3/39930 240.0 8.604 8.604 9.374 0.000 -0.000 -0.000 3/39930 250.0 8.197 8.197 8.944 0.000 -0.000 -0.000 3/39930 260.0 7.827 7.827 8.554 0.000 -0.000 -0.000 3/39930 270.0 7.490 7.490 8.197 0.000 -0.000 -0.000 3/39930 280.0 7.181 7.181 7.869 0.000 -0.000 -0.000 3/39930 290.0 6.897 6.897 7.568 0.000 -0.000 -0.000 3/39930 300.0 6.636 6.636 7.289 0.000 -0.000 -0.000 3/39930 310.0 6.393 6.393 7.030 0.000 -0.000 -0.000 3/39930 320.0 6.169 6.169 6.790 0.000 -0.000 -0.000 3/39930 330.0 5.960 5.960 6.567 0.000 -0.000 -0.000 3/39930 340.0 5.765 5.765 6.357 0.000 -0.000 -0.000 3/39930 350.0 5.582 5.582 6.162 0.000 -0.000 -0.000 3/39930 360.0 5.411 5.411 5.978 0.000 -0.000 -0.000 3/39930 370.0 5.251 5.251 5.805 0.000 -0.000 -0.000 3/39930 380.0 5.100 5.100 5.642 0.000 -0.000 -0.000 3/39930 390.0 4.958 4.958 5.488 0.000 -0.000 -0.000 3/39930 400.0 4.823 4.823 5.343 0.000 -0.000 -0.000 3/39930 410.0 4.696 4.696 5.205 0.000 -0.000 -0.000 3/39930 420.0 4.576 4.576 5.074 0.000 -0.000 -0.000 3/39930 430.0 4.461 4.461 4.950 0.000 -0.000 -0.000 3/39930 440.0 4.353 4.353 4.832 0.000 -0.000 -0.000 3/39930 450.0 4.250 4.250 4.720 0.000 -0.000 -0.000 3/39930 460.0 4.151 4.151 4.613 0.000 -0.000 -0.000 3/39930 470.0 4.057 4.057 4.510 0.000 -0.000 -0.000 3/39930 480.0 3.968 3.968 4.413 0.000 -0.000 -0.000 3/39930 490.0 3.882 3.882 4.319 0.000 -0.000 -0.000 3/39930 500.0 3.800 3.800 4.229 0.000 -0.000 -0.000 3/39930 510.0 3.722 3.722 4.143 0.000 -0.000 -0.000 3/39930 520.0 3.646 3.646 4.061 0.000 -0.000 -0.000 3/39930 530.0 3.574 3.574 3.982 0.000 -0.000 -0.000 3/39930 540.0 3.505 3.505 3.906 0.000 -0.000 -0.000 3/39930 550.0 3.438 3.438 3.833 0.000 -0.000 -0.000 3/39930 560.0 3.374 3.374 3.762 0.000 -0.000 -0.000 3/39930 570.0 3.312 3.312 3.694 0.000 -0.000 -0.000 3/39930 580.0 3.253 3.253 3.629 0.000 -0.000 -0.000 3/39930 590.0 3.196 3.196 3.566 0.000 -0.000 -0.000 3/39930 600.0 3.140 3.140 3.505 0.000 -0.000 -0.000 3/39930 610.0 3.087 3.087 3.446 0.000 -0.000 -0.000 3/39930 620.0 3.035 3.035 3.389 0.000 -0.000 -0.000 3/39930 630.0 2.985 2.985 3.334 0.000 -0.000 -0.000 3/39930 640.0 2.937 2.937 3.281 0.000 -0.000 -0.000 3/39930 650.0 2.891 2.891 3.229 0.000 -0.000 -0.000 3/39930 660.0 2.845 2.845 3.179 0.000 -0.000 -0.000 3/39930 670.0 2.802 2.802 3.131 0.000 -0.000 -0.000 3/39930 680.0 2.759 2.759 3.084 0.000 -0.000 -0.000 3/39930 690.0 2.718 2.718 3.039 0.000 -0.000 -0.000 3/39930 700.0 2.678 2.678 2.994 0.000 -0.000 -0.000 3/39930 710.0 2.639 2.639 2.952 0.000 -0.000 -0.000 3/39930 720.0 2.602 2.602 2.910 0.000 -0.000 -0.000 3/39930 730.0 2.565 2.565 2.869 0.000 -0.000 -0.000 3/39930 740.0 2.530 2.530 2.830 0.000 -0.000 -0.000 3/39930 750.0 2.495 2.495 2.792 0.000 -0.000 -0.000 3/39930 760.0 2.461 2.461 2.754 0.000 -0.000 -0.000 3/39930 770.0 2.429 2.429 2.718 0.000 -0.000 -0.000 3/39930 780.0 2.397 2.397 2.683 0.000 -0.000 -0.000 3/39930 790.0 2.366 2.366 2.648 0.000 -0.000 -0.000 3/39930 800.0 2.336 2.336 2.615 0.000 -0.000 -0.000 3/39930 810.0 2.306 2.306 2.582 0.000 -0.000 -0.000 3/39930 820.0 2.278 2.278 2.550 0.000 -0.000 -0.000 3/39930 830.0 2.250 2.250 2.519 0.000 -0.000 -0.000 3/39930 840.0 2.222 2.222 2.489 0.000 -0.000 -0.000 3/39930 850.0 2.196 2.196 2.459 0.000 -0.000 -0.000 3/39930 860.0 2.170 2.170 2.430 0.000 -0.000 -0.000 3/39930 870.0 2.144 2.144 2.402 0.000 -0.000 -0.000 3/39930 880.0 2.120 2.120 2.375 0.000 -0.000 -0.000 3/39930 890.0 2.095 2.095 2.348 0.000 -0.000 -0.000 3/39930 900.0 2.072 2.072 2.321 0.000 -0.000 -0.000 3/39930 910.0 2.049 2.049 2.296 0.000 -0.000 -0.000 3/39930 920.0 2.026 2.026 2.270 0.000 -0.000 -0.000 3/39930 930.0 2.004 2.004 2.246 0.000 -0.000 -0.000 3/39930 940.0 1.982 1.982 2.222 0.000 -0.000 -0.000 3/39930 950.0 1.961 1.961 2.198 0.000 -0.000 -0.000 3/39930 960.0 1.940 1.940 2.175 0.000 -0.000 -0.000 3/39930 970.0 1.920 1.920 2.152 0.000 -0.000 -0.000 3/39930 980.0 1.900 1.900 2.130 0.000 -0.000 -0.000 3/39930 990.0 1.881 1.881 2.109 0.000 -0.000 -0.000 3/39930 1000.0 1.862 1.862 2.087 0.000 -0.000 -0.000 3/39930 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:16:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|