----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:55:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.872200410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.518449839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.060851409999999 Atomic positions (fractional): *1 O 0.32899729501485 0.06095378103252 0.19273196762408 15.999 2 O 0.67100270498515 0.56095378103252 0.80726803237592 15.999 3 O 0.82899729501485 0.06095378103252 0.30726803237592 15.999 4 O 0.17100270498515 0.56095378103252 0.69273196762408 15.999 *5 O 0.03028501594006 0.25000000000000 0.32472588557425 15.999 6 O 0.96971498405994 0.75000000000000 0.67527411442575 15.999 7 O 0.53028501594006 0.25000000000000 0.17527411442575 15.999 8 O 0.46971498405994 0.75000000000000 0.82472588557425 15.999 9 O 0.67100270498515 0.93904621896748 0.80726803237592 15.999 10 O 0.32899729501485 0.43904621896749 0.19273196762408 15.999 11 O 0.17100270498515 0.93904621896748 0.69273196762408 15.999 12 O 0.82899729501485 0.43904621896749 0.30726803237592 15.999 *13 O 0.10619565833131 0.75000000000000 0.26346232637086 15.999 14 O 0.89380434166869 0.25000000000000 0.73653767362914 15.999 15 O 0.60619565833131 0.75000000000000 0.23653767362914 15.999 16 O 0.39380434166869 0.25000000000000 0.76346232637086 15.999 *17 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 18 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 19 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 20 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 *21 P 0.39661946739278 0.25000000000000 0.06772123940247 30.974 22 P 0.89661946739278 0.25000000000000 0.43227876059753 30.974 23 P 0.60338053260722 0.75000000000000 0.93227876059753 30.974 24 P 0.10338053260722 0.75000000000000 0.56772123940247 30.974 *25 Cd 0.21488447198468 0.25000000000000 0.51561421513192 112.411 26 Cd 0.78511552801532 0.75000000000000 0.48438578486808 112.411 27 Cd 0.71488447198468 0.25000000000000 0.98438578486808 112.411 28 Cd 0.28511552801532 0.75000000000000 0.01561421513192 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.872200410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.518449839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.060851409999999 Atomic positions (fractional): *1 O 0.32899729501485 0.06095378103252 0.19273196762408 15.999 > 1 2 O 0.67100270498515 0.56095378103252 0.80726803237592 15.999 > 2 3 O 0.82899729501485 0.06095378103252 0.30726803237592 15.999 > 3 4 O 0.17100270498515 0.56095378103252 0.69273196762408 15.999 > 4 *5 O 0.03028501594006 0.25000000000000 0.32472588557425 15.999 > 5 6 O 0.96971498405994 0.75000000000000 0.67527411442575 15.999 > 6 7 O 0.53028501594006 0.25000000000000 0.17527411442575 15.999 > 7 8 O 0.46971498405994 0.75000000000000 0.82472588557425 15.999 > 8 9 O 0.67100270498515 0.93904621896748 0.80726803237592 15.999 > 9 10 O 0.32899729501485 0.43904621896749 0.19273196762408 15.999 > 10 11 O 0.17100270498515 0.93904621896748 0.69273196762408 15.999 > 11 12 O 0.82899729501485 0.43904621896749 0.30726803237592 15.999 > 12 *13 O 0.10619565833131 0.75000000000000 0.26346232637086 15.999 > 13 14 O 0.89380434166869 0.25000000000000 0.73653767362914 15.999 > 14 15 O 0.60619565833131 0.75000000000000 0.23653767362914 15.999 > 15 16 O 0.39380434166869 0.25000000000000 0.76346232637086 15.999 > 16 *17 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 17 18 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 18 19 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 19 20 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 20 *21 P 0.39661946739278 0.25000000000000 0.06772123940247 30.974 > 21 22 P 0.89661946739278 0.25000000000000 0.43227876059753 30.974 > 22 23 P 0.60338053260722 0.75000000000000 0.93227876059753 30.974 > 23 24 P 0.10338053260722 0.75000000000000 0.56772123940247 30.974 > 24 *25 Cd 0.21488447198468 0.25000000000000 0.51561421513192 112.411 > 25 26 Cd 0.78511552801532 0.75000000000000 0.48438578486808 112.411 > 26 27 Cd 0.71488447198468 0.25000000000000 0.98438578486808 112.411 > 27 28 Cd 0.28511552801532 0.75000000000000 0.01561421513192 112.411 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.872200410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.036899679999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.121702819999998 Atomic positions (fractional): *1 O 0.32899729501485 0.03047689051626 0.09636598381204 15.999 > 1 2 O 0.32899729501485 0.53047689051626 0.09636598381204 15.999 > 1 3 O 0.32899729501485 0.03047689051626 0.59636598381204 15.999 > 1 4 O 0.32899729501485 0.53047689051626 0.59636598381204 15.999 > 1 5 O 0.67100270498515 0.28047689051626 0.40363401618796 15.999 > 2 6 O 0.67100270498515 0.78047689051626 0.40363401618796 15.999 > 2 7 O 0.67100270498515 0.28047689051626 0.90363401618796 15.999 > 2 8 O 0.67100270498515 0.78047689051626 0.90363401618796 15.999 > 2 9 O 0.82899729501485 0.03047689051626 0.15363401618796 15.999 > 3 10 O 0.82899729501485 0.53047689051626 0.15363401618796 15.999 > 3 11 O 0.82899729501485 0.03047689051626 0.65363401618796 15.999 > 3 12 O 0.82899729501485 0.53047689051626 0.65363401618796 15.999 > 3 13 O 0.17100270498515 0.28047689051626 0.34636598381204 15.999 > 4 14 O 0.17100270498515 0.78047689051626 0.34636598381204 15.999 > 4 15 O 0.17100270498515 0.28047689051626 0.84636598381204 15.999 > 4 16 O 0.17100270498515 0.78047689051626 0.84636598381204 15.999 > 4 *17 O 0.03028501594006 0.12500000000000 0.16236294278713 15.999 > 5 18 O 0.03028501594006 0.62500000000000 0.16236294278713 15.999 > 5 19 O 0.03028501594006 0.12500000000000 0.66236294278713 15.999 > 5 20 O 0.03028501594006 0.62500000000000 0.66236294278713 15.999 > 5 21 O 0.96971498405994 0.37500000000000 0.33763705721287 15.999 > 6 22 O 0.96971498405994 0.87500000000000 0.33763705721287 15.999 > 6 23 O 0.96971498405994 0.37500000000000 0.83763705721287 15.999 > 6 24 O 0.96971498405994 0.87500000000000 0.83763705721287 15.999 > 6 25 O 0.53028501594006 0.12500000000000 0.08763705721287 15.999 > 7 26 O 0.53028501594006 0.62500000000000 0.08763705721287 15.999 > 7 27 O 0.53028501594006 0.12500000000000 0.58763705721287 15.999 > 7 28 O 0.53028501594006 0.62500000000000 0.58763705721287 15.999 > 7 29 O 0.46971498405994 0.37500000000000 0.41236294278713 15.999 > 8 30 O 0.46971498405994 0.87500000000000 0.41236294278713 15.999 > 8 31 O 0.46971498405994 0.37500000000000 0.91236294278713 15.999 > 8 32 O 0.46971498405994 0.87500000000000 0.91236294278713 15.999 > 8 33 O 0.67100270498515 0.46952310948374 0.40363401618796 15.999 > 9 34 O 0.67100270498515 0.96952310948374 0.40363401618796 15.999 > 9 35 O 0.67100270498515 0.46952310948374 0.90363401618796 15.999 > 9 36 O 0.67100270498515 0.96952310948374 0.90363401618796 15.999 > 9 37 O 0.32899729501485 0.21952310948374 0.09636598381204 15.999 > 10 38 O 0.32899729501485 0.71952310948374 0.09636598381204 15.999 > 10 39 O 0.32899729501485 0.21952310948374 0.59636598381204 15.999 > 10 40 O 0.32899729501485 0.71952310948374 0.59636598381204 15.999 > 10 41 O 0.17100270498515 0.46952310948374 0.34636598381204 15.999 > 11 42 O 0.17100270498515 0.96952310948374 0.34636598381204 15.999 > 11 43 O 0.17100270498515 0.46952310948374 0.84636598381204 15.999 > 11 44 O 0.17100270498515 0.96952310948374 0.84636598381204 15.999 > 11 45 O 0.82899729501485 0.21952310948374 0.15363401618796 15.999 > 12 46 O 0.82899729501485 0.71952310948374 0.15363401618796 15.999 > 12 47 O 0.82899729501485 0.21952310948374 0.65363401618796 15.999 > 12 48 O 0.82899729501485 0.71952310948374 0.65363401618796 15.999 > 12 *49 O 0.10619565833131 0.37500000000000 0.13173116318543 15.999 > 13 50 O 0.10619565833131 0.87500000000000 0.13173116318543 15.999 > 13 51 O 0.10619565833131 0.37500000000000 0.63173116318543 15.999 > 13 52 O 0.10619565833131 0.87500000000000 0.63173116318543 15.999 > 13 53 O 0.89380434166869 0.12500000000000 0.36826883681457 15.999 > 14 54 O 0.89380434166869 0.62500000000000 0.36826883681457 15.999 > 14 55 O 0.89380434166869 0.12500000000000 0.86826883681457 15.999 > 14 56 O 0.89380434166869 0.62500000000000 0.86826883681457 15.999 > 14 57 O 0.60619565833131 0.37500000000000 0.11826883681457 15.999 > 15 58 O 0.60619565833131 0.87500000000000 0.11826883681457 15.999 > 15 59 O 0.60619565833131 0.37500000000000 0.61826883681457 15.999 > 15 60 O 0.60619565833131 0.87500000000000 0.61826883681457 15.999 > 15 61 O 0.39380434166869 0.12500000000000 0.38173116318543 15.999 > 16 62 O 0.39380434166869 0.62500000000000 0.38173116318543 15.999 > 16 63 O 0.39380434166869 0.12500000000000 0.88173116318543 15.999 > 16 64 O 0.39380434166869 0.62500000000000 0.88173116318543 15.999 > 16 *65 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 17 66 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 17 67 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 17 68 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 17 69 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 18 70 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 18 71 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 18 72 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 18 73 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 19 74 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 19 75 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 19 76 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 19 77 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 20 78 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 20 79 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 20 80 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 20 *81 P 0.39661946739278 0.12500000000000 0.03386061970124 30.974 > 21 82 P 0.39661946739278 0.62500000000000 0.03386061970124 30.974 > 21 83 P 0.39661946739278 0.12500000000000 0.53386061970124 30.974 > 21 84 P 0.39661946739278 0.62500000000000 0.53386061970124 30.974 > 21 85 P 0.89661946739278 0.12500000000000 0.21613938029876 30.974 > 22 86 P 0.89661946739278 0.62500000000000 0.21613938029876 30.974 > 22 87 P 0.89661946739278 0.12500000000000 0.71613938029876 30.974 > 22 88 P 0.89661946739278 0.62500000000000 0.71613938029876 30.974 > 22 89 P 0.60338053260722 0.37500000000000 0.46613938029876 30.974 > 23 90 P 0.60338053260722 0.87500000000000 0.46613938029876 30.974 > 23 91 P 0.60338053260722 0.37500000000000 0.96613938029876 30.974 > 23 92 P 0.60338053260722 0.87500000000000 0.96613938029876 30.974 > 23 93 P 0.10338053260722 0.37500000000000 0.28386061970124 30.974 > 24 94 P 0.10338053260722 0.87500000000000 0.28386061970124 30.974 > 24 95 P 0.10338053260722 0.37500000000000 0.78386061970124 30.974 > 24 96 P 0.10338053260722 0.87500000000000 0.78386061970124 30.974 > 24 *97 Cd 0.21488447198468 0.12500000000000 0.25780710756596 112.411 > 25 98 Cd 0.21488447198468 0.62500000000000 0.25780710756596 112.411 > 25 99 Cd 0.21488447198468 0.12500000000000 0.75780710756596 112.411 > 25 100 Cd 0.21488447198468 0.62500000000000 0.75780710756596 112.411 > 25 101 Cd 0.78511552801532 0.37500000000000 0.24219289243404 112.411 > 26 102 Cd 0.78511552801532 0.87500000000000 0.24219289243404 112.411 > 26 103 Cd 0.78511552801532 0.37500000000000 0.74219289243404 112.411 > 26 104 Cd 0.78511552801532 0.87500000000000 0.74219289243404 112.411 > 26 105 Cd 0.71488447198468 0.12500000000000 0.49219289243404 112.411 > 27 106 Cd 0.71488447198468 0.62500000000000 0.49219289243404 112.411 > 27 107 Cd 0.71488447198468 0.12500000000000 0.99219289243404 112.411 > 27 108 Cd 0.71488447198468 0.62500000000000 0.99219289243404 112.411 > 27 109 Cd 0.28511552801532 0.37500000000000 0.00780710756596 112.411 > 28 110 Cd 0.28511552801532 0.87500000000000 0.00780710756596 112.411 > 28 111 Cd 0.28511552801532 0.37500000000000 0.50780710756596 112.411 > 28 112 Cd 0.28511552801532 0.87500000000000 0.50780710756596 112.411 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9975148 0.0000000 0.0000000 0.0000000 3.0315043 0.0000000 0.0000000 0.0000000 2.8686504 -------------------------- Born effective charges -------------------------- 1 O -1.4935231 -0.4071629 0.3173896 -0.4987262 -2.2683179 0.1464208 0.3731688 0.1080496 -1.4593543 2 O -1.4935231 0.4071629 0.3173896 0.4987262 -2.2683179 -0.1464208 0.3731688 -0.1080496 -1.4593543 3 O -1.4935231 -0.4071629 -0.3173896 -0.4987262 -2.2683179 -0.1464208 -0.3731688 -0.1080496 -1.4593543 4 O -1.4935231 0.4071629 -0.3173896 0.4987262 -2.2683179 0.1464208 -0.3731688 0.1080496 -1.4593543 5 O -2.6150629 0.0000000 0.3244913 0.0000000 -1.1598566 0.0000000 0.0816791 0.0000000 -1.2709956 6 O -2.6150629 0.0000000 0.3244913 0.0000000 -1.1598566 0.0000000 0.0816791 0.0000000 -1.2709956 7 O -2.6150629 0.0000000 -0.3244913 0.0000000 -1.1598566 0.0000000 -0.0816791 0.0000000 -1.2709956 8 O -2.6150629 0.0000000 -0.3244913 0.0000000 -1.1598566 0.0000000 -0.0816791 0.0000000 -1.2709956 9 O -1.4935231 -0.4071629 0.3173896 -0.4987262 -2.2683179 0.1464208 0.3731688 0.1080496 -1.4593543 10 O -1.4935231 0.4071629 0.3173896 0.4987262 -2.2683179 -0.1464208 0.3731688 -0.1080496 -1.4593543 11 O -1.4935231 -0.4071629 -0.3173896 -0.4987262 -2.2683179 -0.1464208 -0.3731688 -0.1080496 -1.4593543 12 O -1.4935231 0.4071629 -0.3173896 0.4987262 -2.2683179 0.1464208 -0.3731688 0.1080496 -1.4593543 13 O -1.3108814 0.0000000 0.3089172 0.0000000 -1.1104544 0.0000000 0.2135718 0.0000000 -2.4112582 14 O -1.3108814 0.0000000 0.3089172 0.0000000 -1.1104544 0.0000000 0.2135718 0.0000000 -2.4112582 15 O -1.3108814 0.0000000 -0.3089172 0.0000000 -1.1104544 0.0000000 -0.2135718 0.0000000 -2.4112582 16 O -1.3108814 0.0000000 -0.3089172 0.0000000 -1.1104544 0.0000000 -0.2135718 0.0000000 -2.4112582 17 Na 1.0275282 -0.1707910 -0.0132982 -0.1206140 1.0043866 0.0584824 -0.0070966 0.0303292 1.2172509 18 Na 1.0275282 0.1707910 -0.0132982 0.1206140 1.0043866 -0.0584824 -0.0070966 -0.0303292 1.2172509 19 Na 1.0275282 0.1707910 0.0132982 0.1206140 1.0043866 0.0584824 0.0070966 0.0303292 1.2172509 20 Na 1.0275282 -0.1707910 0.0132982 -0.1206140 1.0043866 -0.0584824 0.0070966 -0.0303292 1.2172509 21 P 3.3648389 0.0000000 0.2960668 0.0000000 3.2172711 0.0000000 -0.3370484 0.0000000 3.1937981 22 P 3.3648389 0.0000000 -0.2960668 0.0000000 3.2172711 0.0000000 0.3370484 0.0000000 3.1937981 23 P 3.3648389 0.0000000 0.2960668 0.0000000 3.2172711 0.0000000 -0.3370484 0.0000000 3.1937981 24 P 3.3648389 0.0000000 -0.2960668 0.0000000 3.2172711 0.0000000 0.3370484 0.0000000 3.1937981 25 Cd 2.5206234 0.0000000 0.0118142 0.0000000 2.5852891 0.0000000 0.0056389 0.0000000 2.1899135 26 Cd 2.5206234 0.0000000 0.0118142 0.0000000 2.5852891 0.0000000 0.0056389 0.0000000 2.1899135 27 Cd 2.5206234 0.0000000 -0.0118142 0.0000000 2.5852891 0.0000000 -0.0056389 0.0000000 2.1899135 28 Cd 2.5206234 0.0000000 -0.0118142 0.0000000 2.5852891 0.0000000 -0.0056389 0.0000000 2.1899135 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.079 Solver_block: 200 / 480 - Time: 3.106 Solver_block: 300 / 480 - Time: 3.097 Solver_block: 400 / 480 - Time: 3.089 Solver_block: 480 / 480 - Time: 2.492 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.911 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:56:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:56:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.872200410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.518449839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.060851409999999 Atomic positions (fractional): 1 O 0.32899729501485 0.06095378103252 0.19273196762408 15.999 2 O 0.67100270498515 0.56095378103252 0.80726803237592 15.999 3 O 0.82899729501485 0.06095378103252 0.30726803237592 15.999 4 O 0.17100270498515 0.56095378103252 0.69273196762408 15.999 5 O 0.03028501594006 0.25000000000000 0.32472588557425 15.999 6 O 0.96971498405994 0.75000000000000 0.67527411442575 15.999 7 O 0.53028501594006 0.25000000000000 0.17527411442575 15.999 8 O 0.46971498405994 0.75000000000000 0.82472588557425 15.999 9 O 0.67100270498515 0.93904621896748 0.80726803237592 15.999 10 O 0.32899729501485 0.43904621896749 0.19273196762408 15.999 11 O 0.17100270498515 0.93904621896748 0.69273196762408 15.999 12 O 0.82899729501485 0.43904621896749 0.30726803237592 15.999 13 O 0.10619565833131 0.75000000000000 0.26346232637086 15.999 14 O 0.89380434166869 0.25000000000000 0.73653767362914 15.999 15 O 0.60619565833131 0.75000000000000 0.23653767362914 15.999 16 O 0.39380434166869 0.25000000000000 0.76346232637086 15.999 17 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 18 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 19 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 20 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 21 P 0.39661946739278 0.25000000000000 0.06772123940247 30.974 22 P 0.89661946739278 0.25000000000000 0.43227876059753 30.974 23 P 0.60338053260722 0.75000000000000 0.93227876059753 30.974 24 P 0.10338053260722 0.75000000000000 0.56772123940247 30.974 25 Cd 0.21488447198468 0.25000000000000 0.51561421513192 112.411 26 Cd 0.78511552801532 0.75000000000000 0.48438578486808 112.411 27 Cd 0.71488447198468 0.25000000000000 0.98438578486808 112.411 28 Cd 0.28511552801532 0.75000000000000 0.01561421513192 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.872200410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.036899679999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.121702819999998 Atomic positions (fractional): 1 O 0.32899729501485 0.03047689051626 0.09636598381204 15.999 > 1 2 O 0.32899729501485 0.53047689051626 0.09636598381204 15.999 > 1 3 O 0.32899729501485 0.03047689051626 0.59636598381204 15.999 > 1 4 O 0.32899729501485 0.53047689051626 0.59636598381204 15.999 > 1 5 O 0.67100270498515 0.28047689051626 0.40363401618796 15.999 > 5 6 O 0.67100270498515 0.78047689051626 0.40363401618796 15.999 > 5 7 O 0.67100270498515 0.28047689051626 0.90363401618796 15.999 > 5 8 O 0.67100270498515 0.78047689051626 0.90363401618796 15.999 > 5 9 O 0.82899729501485 0.03047689051626 0.15363401618796 15.999 > 9 10 O 0.82899729501485 0.53047689051626 0.15363401618796 15.999 > 9 11 O 0.82899729501485 0.03047689051626 0.65363401618796 15.999 > 9 12 O 0.82899729501485 0.53047689051626 0.65363401618796 15.999 > 9 13 O 0.17100270498515 0.28047689051626 0.34636598381204 15.999 > 13 14 O 0.17100270498515 0.78047689051626 0.34636598381204 15.999 > 13 15 O 0.17100270498515 0.28047689051626 0.84636598381204 15.999 > 13 16 O 0.17100270498515 0.78047689051626 0.84636598381204 15.999 > 13 17 O 0.03028501594006 0.12500000000000 0.16236294278713 15.999 > 17 18 O 0.03028501594006 0.62500000000000 0.16236294278713 15.999 > 17 19 O 0.03028501594006 0.12500000000000 0.66236294278713 15.999 > 17 20 O 0.03028501594006 0.62500000000000 0.66236294278713 15.999 > 17 21 O 0.96971498405994 0.37500000000000 0.33763705721287 15.999 > 21 22 O 0.96971498405994 0.87500000000000 0.33763705721287 15.999 > 21 23 O 0.96971498405994 0.37500000000000 0.83763705721287 15.999 > 21 24 O 0.96971498405994 0.87500000000000 0.83763705721287 15.999 > 21 25 O 0.53028501594006 0.12500000000000 0.08763705721287 15.999 > 25 26 O 0.53028501594006 0.62500000000000 0.08763705721287 15.999 > 25 27 O 0.53028501594006 0.12500000000000 0.58763705721287 15.999 > 25 28 O 0.53028501594006 0.62500000000000 0.58763705721287 15.999 > 25 29 O 0.46971498405994 0.37500000000000 0.41236294278713 15.999 > 29 30 O 0.46971498405994 0.87500000000000 0.41236294278713 15.999 > 29 31 O 0.46971498405994 0.37500000000000 0.91236294278713 15.999 > 29 32 O 0.46971498405994 0.87500000000000 0.91236294278713 15.999 > 29 33 O 0.67100270498515 0.46952310948374 0.40363401618796 15.999 > 33 34 O 0.67100270498515 0.96952310948374 0.40363401618796 15.999 > 33 35 O 0.67100270498515 0.46952310948374 0.90363401618796 15.999 > 33 36 O 0.67100270498515 0.96952310948374 0.90363401618796 15.999 > 33 37 O 0.32899729501485 0.21952310948374 0.09636598381204 15.999 > 37 38 O 0.32899729501485 0.71952310948374 0.09636598381204 15.999 > 37 39 O 0.32899729501485 0.21952310948374 0.59636598381204 15.999 > 37 40 O 0.32899729501485 0.71952310948374 0.59636598381204 15.999 > 37 41 O 0.17100270498515 0.46952310948374 0.34636598381204 15.999 > 41 42 O 0.17100270498515 0.96952310948374 0.34636598381204 15.999 > 41 43 O 0.17100270498515 0.46952310948374 0.84636598381204 15.999 > 41 44 O 0.17100270498515 0.96952310948374 0.84636598381204 15.999 > 41 45 O 0.82899729501485 0.21952310948374 0.15363401618796 15.999 > 45 46 O 0.82899729501485 0.71952310948374 0.15363401618796 15.999 > 45 47 O 0.82899729501485 0.21952310948374 0.65363401618796 15.999 > 45 48 O 0.82899729501485 0.71952310948374 0.65363401618796 15.999 > 45 49 O 0.10619565833131 0.37500000000000 0.13173116318543 15.999 > 49 50 O 0.10619565833131 0.87500000000000 0.13173116318543 15.999 > 49 51 O 0.10619565833131 0.37500000000000 0.63173116318543 15.999 > 49 52 O 0.10619565833131 0.87500000000000 0.63173116318543 15.999 > 49 53 O 0.89380434166869 0.12500000000000 0.36826883681457 15.999 > 53 54 O 0.89380434166869 0.62500000000000 0.36826883681457 15.999 > 53 55 O 0.89380434166869 0.12500000000000 0.86826883681457 15.999 > 53 56 O 0.89380434166869 0.62500000000000 0.86826883681457 15.999 > 53 57 O 0.60619565833131 0.37500000000000 0.11826883681457 15.999 > 57 58 O 0.60619565833131 0.87500000000000 0.11826883681457 15.999 > 57 59 O 0.60619565833131 0.37500000000000 0.61826883681457 15.999 > 57 60 O 0.60619565833131 0.87500000000000 0.61826883681457 15.999 > 57 61 O 0.39380434166869 0.12500000000000 0.38173116318543 15.999 > 61 62 O 0.39380434166869 0.62500000000000 0.38173116318543 15.999 > 61 63 O 0.39380434166869 0.12500000000000 0.88173116318543 15.999 > 61 64 O 0.39380434166869 0.62500000000000 0.88173116318543 15.999 > 61 65 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 65 66 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 65 67 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 65 68 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 65 69 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 69 70 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 69 71 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 69 72 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 69 73 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 73 74 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 73 75 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 73 76 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 73 77 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 77 78 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 77 79 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 77 80 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 77 81 P 0.39661946739278 0.12500000000000 0.03386061970124 30.974 > 81 82 P 0.39661946739278 0.62500000000000 0.03386061970124 30.974 > 81 83 P 0.39661946739278 0.12500000000000 0.53386061970124 30.974 > 81 84 P 0.39661946739278 0.62500000000000 0.53386061970124 30.974 > 81 85 P 0.89661946739278 0.12500000000000 0.21613938029876 30.974 > 85 86 P 0.89661946739278 0.62500000000000 0.21613938029876 30.974 > 85 87 P 0.89661946739278 0.12500000000000 0.71613938029876 30.974 > 85 88 P 0.89661946739278 0.62500000000000 0.71613938029876 30.974 > 85 89 P 0.60338053260722 0.37500000000000 0.46613938029876 30.974 > 89 90 P 0.60338053260722 0.87500000000000 0.46613938029876 30.974 > 89 91 P 0.60338053260722 0.37500000000000 0.96613938029876 30.974 > 89 92 P 0.60338053260722 0.87500000000000 0.96613938029876 30.974 > 89 93 P 0.10338053260722 0.37500000000000 0.28386061970124 30.974 > 93 94 P 0.10338053260722 0.87500000000000 0.28386061970124 30.974 > 93 95 P 0.10338053260722 0.37500000000000 0.78386061970124 30.974 > 93 96 P 0.10338053260722 0.87500000000000 0.78386061970124 30.974 > 93 97 Cd 0.21488447198468 0.12500000000000 0.25780710756596 112.411 > 97 98 Cd 0.21488447198468 0.62500000000000 0.25780710756596 112.411 > 97 99 Cd 0.21488447198468 0.12500000000000 0.75780710756596 112.411 > 97 100 Cd 0.21488447198468 0.62500000000000 0.75780710756596 112.411 > 97 101 Cd 0.78511552801532 0.37500000000000 0.24219289243404 112.411 > 101 102 Cd 0.78511552801532 0.87500000000000 0.24219289243404 112.411 > 101 103 Cd 0.78511552801532 0.37500000000000 0.74219289243404 112.411 > 101 104 Cd 0.78511552801532 0.87500000000000 0.74219289243404 112.411 > 101 105 Cd 0.71488447198468 0.12500000000000 0.49219289243404 112.411 > 105 106 Cd 0.71488447198468 0.62500000000000 0.49219289243404 112.411 > 105 107 Cd 0.71488447198468 0.12500000000000 0.99219289243404 112.411 > 105 108 Cd 0.71488447198468 0.62500000000000 0.99219289243404 112.411 > 105 109 Cd 0.28511552801532 0.37500000000000 0.00780710756596 112.411 > 109 110 Cd 0.28511552801532 0.87500000000000 0.00780710756596 112.411 > 109 111 Cd 0.28511552801532 0.37500000000000 0.50780710756596 112.411 > 109 112 Cd 0.28511552801532 0.87500000000000 0.50780710756596 112.411 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9975148 0.0000000 0.0000000 0.0000000 3.0315043 0.0000000 0.0000000 0.0000000 2.8686504 -------------------------- Born effective charges -------------------------- 1 O -1.4935231 -0.4071629 0.3173896 -0.4987262 -2.2683179 0.1464208 0.3731688 0.1080496 -1.4593543 2 O -1.4935231 0.4071629 0.3173896 0.4987262 -2.2683179 -0.1464208 0.3731688 -0.1080496 -1.4593543 3 O -1.4935231 -0.4071629 -0.3173896 -0.4987262 -2.2683179 -0.1464208 -0.3731688 -0.1080496 -1.4593543 4 O -1.4935231 0.4071629 -0.3173896 0.4987262 -2.2683179 0.1464208 -0.3731688 0.1080496 -1.4593543 5 O -2.6150629 0.0000000 0.3244913 0.0000000 -1.1598566 0.0000000 0.0816791 0.0000000 -1.2709956 6 O -2.6150629 0.0000000 0.3244913 0.0000000 -1.1598566 0.0000000 0.0816791 0.0000000 -1.2709956 7 O -2.6150629 0.0000000 -0.3244913 0.0000000 -1.1598566 0.0000000 -0.0816791 0.0000000 -1.2709956 8 O -2.6150629 0.0000000 -0.3244913 0.0000000 -1.1598566 0.0000000 -0.0816791 0.0000000 -1.2709956 9 O -1.4935231 -0.4071629 0.3173896 -0.4987262 -2.2683179 0.1464208 0.3731688 0.1080496 -1.4593543 10 O -1.4935231 0.4071629 0.3173896 0.4987262 -2.2683179 -0.1464208 0.3731688 -0.1080496 -1.4593543 11 O -1.4935231 -0.4071629 -0.3173896 -0.4987262 -2.2683179 -0.1464208 -0.3731688 -0.1080496 -1.4593543 12 O -1.4935231 0.4071629 -0.3173896 0.4987262 -2.2683179 0.1464208 -0.3731688 0.1080496 -1.4593543 13 O -1.3108814 0.0000000 0.3089172 0.0000000 -1.1104544 0.0000000 0.2135718 0.0000000 -2.4112582 14 O -1.3108814 0.0000000 0.3089172 0.0000000 -1.1104544 0.0000000 0.2135718 0.0000000 -2.4112582 15 O -1.3108814 0.0000000 -0.3089172 0.0000000 -1.1104544 0.0000000 -0.2135718 0.0000000 -2.4112582 16 O -1.3108814 0.0000000 -0.3089172 0.0000000 -1.1104544 0.0000000 -0.2135718 0.0000000 -2.4112582 17 Na 1.0275282 -0.1707910 -0.0132982 -0.1206140 1.0043866 0.0584824 -0.0070966 0.0303292 1.2172509 18 Na 1.0275282 0.1707910 -0.0132982 0.1206140 1.0043866 -0.0584824 -0.0070966 -0.0303292 1.2172509 19 Na 1.0275282 0.1707910 0.0132982 0.1206140 1.0043866 0.0584824 0.0070966 0.0303292 1.2172509 20 Na 1.0275282 -0.1707910 0.0132982 -0.1206140 1.0043866 -0.0584824 0.0070966 -0.0303292 1.2172509 21 P 3.3648389 0.0000000 0.2960668 0.0000000 3.2172711 0.0000000 -0.3370484 0.0000000 3.1937981 22 P 3.3648389 0.0000000 -0.2960668 0.0000000 3.2172711 0.0000000 0.3370484 0.0000000 3.1937981 23 P 3.3648389 0.0000000 0.2960668 0.0000000 3.2172711 0.0000000 -0.3370484 0.0000000 3.1937981 24 P 3.3648389 0.0000000 -0.2960668 0.0000000 3.2172711 0.0000000 0.3370484 0.0000000 3.1937981 25 Cd 2.5206234 0.0000000 0.0118142 0.0000000 2.5852891 0.0000000 0.0056389 0.0000000 2.1899135 26 Cd 2.5206234 0.0000000 0.0118142 0.0000000 2.5852891 0.0000000 0.0056389 0.0000000 2.1899135 27 Cd 2.5206234 0.0000000 -0.0118142 0.0000000 2.5852891 0.0000000 -0.0056389 0.0000000 2.1899135 28 Cd 2.5206234 0.0000000 -0.0118142 0.0000000 2.5852891 0.0000000 -0.0056389 0.0000000 2.1899135 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000005 (xzx) 0.00000005 (xzx) 0.00000005 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (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 2026-01-07 21:56:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:56:33]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.872200410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.518449839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.060851409999999 Atomic positions (fractional): 1 O 0.32899729501485 0.06095378103252 0.19273196762408 15.999 2 O 0.67100270498515 0.56095378103252 0.80726803237592 15.999 3 O 0.82899729501485 0.06095378103252 0.30726803237592 15.999 4 O 0.17100270498515 0.56095378103252 0.69273196762408 15.999 5 O 0.03028501594006 0.25000000000000 0.32472588557425 15.999 6 O 0.96971498405994 0.75000000000000 0.67527411442575 15.999 7 O 0.53028501594006 0.25000000000000 0.17527411442575 15.999 8 O 0.46971498405994 0.75000000000000 0.82472588557425 15.999 9 O 0.67100270498515 0.93904621896748 0.80726803237592 15.999 10 O 0.32899729501485 0.43904621896749 0.19273196762408 15.999 11 O 0.17100270498515 0.93904621896748 0.69273196762408 15.999 12 O 0.82899729501485 0.43904621896749 0.30726803237592 15.999 13 O 0.10619565833131 0.75000000000000 0.26346232637086 15.999 14 O 0.89380434166869 0.25000000000000 0.73653767362914 15.999 15 O 0.60619565833131 0.75000000000000 0.23653767362914 15.999 16 O 0.39380434166869 0.25000000000000 0.76346232637086 15.999 17 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 18 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 19 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 20 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 21 P 0.39661946739278 0.25000000000000 0.06772123940247 30.974 22 P 0.89661946739278 0.25000000000000 0.43227876059753 30.974 23 P 0.60338053260722 0.75000000000000 0.93227876059753 30.974 24 P 0.10338053260722 0.75000000000000 0.56772123940247 30.974 25 Cd 0.21488447198468 0.25000000000000 0.51561421513192 112.411 26 Cd 0.78511552801532 0.75000000000000 0.48438578486808 112.411 27 Cd 0.71488447198468 0.25000000000000 0.98438578486808 112.411 28 Cd 0.28511552801532 0.75000000000000 0.01561421513192 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.872200410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.036899679999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.121702819999998 Atomic positions (fractional): 1 O 0.32899729501485 0.03047689051626 0.09636598381204 15.999 > 1 2 O 0.32899729501485 0.53047689051626 0.09636598381204 15.999 > 1 3 O 0.32899729501485 0.03047689051626 0.59636598381204 15.999 > 1 4 O 0.32899729501485 0.53047689051626 0.59636598381204 15.999 > 1 5 O 0.67100270498515 0.28047689051626 0.40363401618796 15.999 > 5 6 O 0.67100270498515 0.78047689051626 0.40363401618796 15.999 > 5 7 O 0.67100270498515 0.28047689051626 0.90363401618796 15.999 > 5 8 O 0.67100270498515 0.78047689051626 0.90363401618796 15.999 > 5 9 O 0.82899729501485 0.03047689051626 0.15363401618796 15.999 > 9 10 O 0.82899729501485 0.53047689051626 0.15363401618796 15.999 > 9 11 O 0.82899729501485 0.03047689051626 0.65363401618796 15.999 > 9 12 O 0.82899729501485 0.53047689051626 0.65363401618796 15.999 > 9 13 O 0.17100270498515 0.28047689051626 0.34636598381204 15.999 > 13 14 O 0.17100270498515 0.78047689051626 0.34636598381204 15.999 > 13 15 O 0.17100270498515 0.28047689051626 0.84636598381204 15.999 > 13 16 O 0.17100270498515 0.78047689051626 0.84636598381204 15.999 > 13 17 O 0.03028501594006 0.12500000000000 0.16236294278713 15.999 > 17 18 O 0.03028501594006 0.62500000000000 0.16236294278713 15.999 > 17 19 O 0.03028501594006 0.12500000000000 0.66236294278713 15.999 > 17 20 O 0.03028501594006 0.62500000000000 0.66236294278713 15.999 > 17 21 O 0.96971498405994 0.37500000000000 0.33763705721287 15.999 > 21 22 O 0.96971498405994 0.87500000000000 0.33763705721287 15.999 > 21 23 O 0.96971498405994 0.37500000000000 0.83763705721287 15.999 > 21 24 O 0.96971498405994 0.87500000000000 0.83763705721287 15.999 > 21 25 O 0.53028501594006 0.12500000000000 0.08763705721287 15.999 > 25 26 O 0.53028501594006 0.62500000000000 0.08763705721287 15.999 > 25 27 O 0.53028501594006 0.12500000000000 0.58763705721287 15.999 > 25 28 O 0.53028501594006 0.62500000000000 0.58763705721287 15.999 > 25 29 O 0.46971498405994 0.37500000000000 0.41236294278713 15.999 > 29 30 O 0.46971498405994 0.87500000000000 0.41236294278713 15.999 > 29 31 O 0.46971498405994 0.37500000000000 0.91236294278713 15.999 > 29 32 O 0.46971498405994 0.87500000000000 0.91236294278713 15.999 > 29 33 O 0.67100270498515 0.46952310948374 0.40363401618796 15.999 > 33 34 O 0.67100270498515 0.96952310948374 0.40363401618796 15.999 > 33 35 O 0.67100270498515 0.46952310948374 0.90363401618796 15.999 > 33 36 O 0.67100270498515 0.96952310948374 0.90363401618796 15.999 > 33 37 O 0.32899729501485 0.21952310948374 0.09636598381204 15.999 > 37 38 O 0.32899729501485 0.71952310948374 0.09636598381204 15.999 > 37 39 O 0.32899729501485 0.21952310948374 0.59636598381204 15.999 > 37 40 O 0.32899729501485 0.71952310948374 0.59636598381204 15.999 > 37 41 O 0.17100270498515 0.46952310948374 0.34636598381204 15.999 > 41 42 O 0.17100270498515 0.96952310948374 0.34636598381204 15.999 > 41 43 O 0.17100270498515 0.46952310948374 0.84636598381204 15.999 > 41 44 O 0.17100270498515 0.96952310948374 0.84636598381204 15.999 > 41 45 O 0.82899729501485 0.21952310948374 0.15363401618796 15.999 > 45 46 O 0.82899729501485 0.71952310948374 0.15363401618796 15.999 > 45 47 O 0.82899729501485 0.21952310948374 0.65363401618796 15.999 > 45 48 O 0.82899729501485 0.71952310948374 0.65363401618796 15.999 > 45 49 O 0.10619565833131 0.37500000000000 0.13173116318543 15.999 > 49 50 O 0.10619565833131 0.87500000000000 0.13173116318543 15.999 > 49 51 O 0.10619565833131 0.37500000000000 0.63173116318543 15.999 > 49 52 O 0.10619565833131 0.87500000000000 0.63173116318543 15.999 > 49 53 O 0.89380434166869 0.12500000000000 0.36826883681457 15.999 > 53 54 O 0.89380434166869 0.62500000000000 0.36826883681457 15.999 > 53 55 O 0.89380434166869 0.12500000000000 0.86826883681457 15.999 > 53 56 O 0.89380434166869 0.62500000000000 0.86826883681457 15.999 > 53 57 O 0.60619565833131 0.37500000000000 0.11826883681457 15.999 > 57 58 O 0.60619565833131 0.87500000000000 0.11826883681457 15.999 > 57 59 O 0.60619565833131 0.37500000000000 0.61826883681457 15.999 > 57 60 O 0.60619565833131 0.87500000000000 0.61826883681457 15.999 > 57 61 O 0.39380434166869 0.12500000000000 0.38173116318543 15.999 > 61 62 O 0.39380434166869 0.62500000000000 0.38173116318543 15.999 > 61 63 O 0.39380434166869 0.12500000000000 0.88173116318543 15.999 > 61 64 O 0.39380434166869 0.62500000000000 0.88173116318543 15.999 > 61 65 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 65 66 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 65 67 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 65 68 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 65 69 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 69 70 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 69 71 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 69 72 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 69 73 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 73 74 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 73 75 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 73 76 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 73 77 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 77 78 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 77 79 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 77 80 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 77 81 P 0.39661946739278 0.12500000000000 0.03386061970124 30.974 > 81 82 P 0.39661946739278 0.62500000000000 0.03386061970124 30.974 > 81 83 P 0.39661946739278 0.12500000000000 0.53386061970124 30.974 > 81 84 P 0.39661946739278 0.62500000000000 0.53386061970124 30.974 > 81 85 P 0.89661946739278 0.12500000000000 0.21613938029876 30.974 > 85 86 P 0.89661946739278 0.62500000000000 0.21613938029876 30.974 > 85 87 P 0.89661946739278 0.12500000000000 0.71613938029876 30.974 > 85 88 P 0.89661946739278 0.62500000000000 0.71613938029876 30.974 > 85 89 P 0.60338053260722 0.37500000000000 0.46613938029876 30.974 > 89 90 P 0.60338053260722 0.87500000000000 0.46613938029876 30.974 > 89 91 P 0.60338053260722 0.37500000000000 0.96613938029876 30.974 > 89 92 P 0.60338053260722 0.87500000000000 0.96613938029876 30.974 > 89 93 P 0.10338053260722 0.37500000000000 0.28386061970124 30.974 > 93 94 P 0.10338053260722 0.87500000000000 0.28386061970124 30.974 > 93 95 P 0.10338053260722 0.37500000000000 0.78386061970124 30.974 > 93 96 P 0.10338053260722 0.87500000000000 0.78386061970124 30.974 > 93 97 Cd 0.21488447198468 0.12500000000000 0.25780710756596 112.411 > 97 98 Cd 0.21488447198468 0.62500000000000 0.25780710756596 112.411 > 97 99 Cd 0.21488447198468 0.12500000000000 0.75780710756596 112.411 > 97 100 Cd 0.21488447198468 0.62500000000000 0.75780710756596 112.411 > 97 101 Cd 0.78511552801532 0.37500000000000 0.24219289243404 112.411 > 101 102 Cd 0.78511552801532 0.87500000000000 0.24219289243404 112.411 > 101 103 Cd 0.78511552801532 0.37500000000000 0.74219289243404 112.411 > 101 104 Cd 0.78511552801532 0.87500000000000 0.74219289243404 112.411 > 101 105 Cd 0.71488447198468 0.12500000000000 0.49219289243404 112.411 > 105 106 Cd 0.71488447198468 0.62500000000000 0.49219289243404 112.411 > 105 107 Cd 0.71488447198468 0.12500000000000 0.99219289243404 112.411 > 105 108 Cd 0.71488447198468 0.62500000000000 0.99219289243404 112.411 > 105 109 Cd 0.28511552801532 0.37500000000000 0.00780710756596 112.411 > 109 110 Cd 0.28511552801532 0.87500000000000 0.00780710756596 112.411 > 109 111 Cd 0.28511552801532 0.37500000000000 0.50780710756596 112.411 > 109 112 Cd 0.28511552801532 0.87500000000000 0.50780710756596 112.411 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9975148 0.0000000 0.0000000 0.0000000 3.0315043 0.0000000 0.0000000 0.0000000 2.8686504 -------------------------- Born effective charges -------------------------- 1 O -1.4935231 -0.4071629 0.3173896 -0.4987262 -2.2683179 0.1464208 0.3731688 0.1080496 -1.4593543 2 O -1.4935231 0.4071629 0.3173896 0.4987262 -2.2683179 -0.1464208 0.3731688 -0.1080496 -1.4593543 3 O -1.4935231 -0.4071629 -0.3173896 -0.4987262 -2.2683179 -0.1464208 -0.3731688 -0.1080496 -1.4593543 4 O -1.4935231 0.4071629 -0.3173896 0.4987262 -2.2683179 0.1464208 -0.3731688 0.1080496 -1.4593543 5 O -2.6150629 0.0000000 0.3244913 0.0000000 -1.1598566 0.0000000 0.0816791 0.0000000 -1.2709956 6 O -2.6150629 0.0000000 0.3244913 0.0000000 -1.1598566 0.0000000 0.0816791 0.0000000 -1.2709956 7 O -2.6150629 0.0000000 -0.3244913 0.0000000 -1.1598566 0.0000000 -0.0816791 0.0000000 -1.2709956 8 O -2.6150629 0.0000000 -0.3244913 0.0000000 -1.1598566 0.0000000 -0.0816791 0.0000000 -1.2709956 9 O -1.4935231 -0.4071629 0.3173896 -0.4987262 -2.2683179 0.1464208 0.3731688 0.1080496 -1.4593543 10 O -1.4935231 0.4071629 0.3173896 0.4987262 -2.2683179 -0.1464208 0.3731688 -0.1080496 -1.4593543 11 O -1.4935231 -0.4071629 -0.3173896 -0.4987262 -2.2683179 -0.1464208 -0.3731688 -0.1080496 -1.4593543 12 O -1.4935231 0.4071629 -0.3173896 0.4987262 -2.2683179 0.1464208 -0.3731688 0.1080496 -1.4593543 13 O -1.3108814 0.0000000 0.3089172 0.0000000 -1.1104544 0.0000000 0.2135718 0.0000000 -2.4112582 14 O -1.3108814 0.0000000 0.3089172 0.0000000 -1.1104544 0.0000000 0.2135718 0.0000000 -2.4112582 15 O -1.3108814 0.0000000 -0.3089172 0.0000000 -1.1104544 0.0000000 -0.2135718 0.0000000 -2.4112582 16 O -1.3108814 0.0000000 -0.3089172 0.0000000 -1.1104544 0.0000000 -0.2135718 0.0000000 -2.4112582 17 Na 1.0275282 -0.1707910 -0.0132982 -0.1206140 1.0043866 0.0584824 -0.0070966 0.0303292 1.2172509 18 Na 1.0275282 0.1707910 -0.0132982 0.1206140 1.0043866 -0.0584824 -0.0070966 -0.0303292 1.2172509 19 Na 1.0275282 0.1707910 0.0132982 0.1206140 1.0043866 0.0584824 0.0070966 0.0303292 1.2172509 20 Na 1.0275282 -0.1707910 0.0132982 -0.1206140 1.0043866 -0.0584824 0.0070966 -0.0303292 1.2172509 21 P 3.3648389 0.0000000 0.2960668 0.0000000 3.2172711 0.0000000 -0.3370484 0.0000000 3.1937981 22 P 3.3648389 0.0000000 -0.2960668 0.0000000 3.2172711 0.0000000 0.3370484 0.0000000 3.1937981 23 P 3.3648389 0.0000000 0.2960668 0.0000000 3.2172711 0.0000000 -0.3370484 0.0000000 3.1937981 24 P 3.3648389 0.0000000 -0.2960668 0.0000000 3.2172711 0.0000000 0.3370484 0.0000000 3.1937981 25 Cd 2.5206234 0.0000000 0.0118142 0.0000000 2.5852891 0.0000000 0.0056389 0.0000000 2.1899135 26 Cd 2.5206234 0.0000000 0.0118142 0.0000000 2.5852891 0.0000000 0.0056389 0.0000000 2.1899135 27 Cd 2.5206234 0.0000000 -0.0118142 0.0000000 2.5852891 0.0000000 -0.0056389 0.0000000 2.1899135 28 Cd 2.5206234 0.0000000 -0.0118142 0.0000000 2.5852891 0.0000000 -0.0056389 0.0000000 2.1899135 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (xzx) 0.00000005 (xzx) 0.00000005 (xxz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 287, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.070 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 7.489 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 0.000 0.000) 0.000 7.731 ( 0.000 0.000 0.000) 0.000 7.926 ( 0.000 0.000 0.000) 0.000 8.172 ( 0.000 0.000 0.000) 0.000 8.225 ( 0.000 0.000 0.000) 0.000 8.235 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 0.000) 0.000 8.756 ( 0.000 0.000 0.000) 0.000 8.931 ( 0.000 0.000 0.000) 0.000 9.071 ( 0.000 0.000 0.000) 0.000 11.275 ( 0.000 0.000 0.000) 0.000 11.685 ( 0.000 0.000 0.000) 0.000 11.771 ( 0.000 0.000 0.000) 0.000 12.069 ( 0.000 0.000 0.000) 0.000 13.053 ( 0.000 0.000 0.000) 0.000 13.117 ( 0.000 0.000 0.000) 0.000 13.680 ( 0.000 0.000 0.000) 0.000 14.020 ( 0.000 0.000 0.000) 0.000 15.203 ( 0.000 0.000 0.000) 0.000 15.216 ( 0.000 0.000 0.000) 0.000 15.955 ( 0.000 0.000 0.000) 0.000 16.051 ( 0.000 0.000 0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000 16.072 ( 0.000 0.000 0.000) 0.000 16.137 ( 0.000 0.000 0.000) 0.000 16.466 ( 0.000 0.000 0.000) 0.000 17.334 ( 0.000 0.000 0.000) 0.000 17.427 ( 0.000 0.000 0.000) 0.000 17.518 ( 0.000 0.000 0.000) 0.000 17.643 ( 0.000 0.000 0.000) 0.000 26.818 ( 0.000 0.000 0.000) 0.000 26.894 ( 0.000 0.000 0.000) 0.000 26.994 ( 0.000 0.000 0.000) 0.000 27.047 ( 0.000 0.000 0.000) 0.000 27.122 ( 0.000 0.000 0.000) 0.000 27.269 ( 0.000 0.000 0.000) 0.000 28.337 ( 0.000 0.000 0.000) 0.000 28.515 ( 0.000 0.000 0.000) 0.000 28.851 ( 0.000 0.000 0.000) 0.000 29.309 ( 0.000 0.000 0.000) 0.000 29.553 ( 0.000 0.000 0.000) 0.000 30.093 ( 0.000 0.000 0.000) 0.000 30.357 ( 0.000 0.000 0.000) 0.000 30.800 ( 0.000 0.000 0.000) 0.000 30.964 ( 0.000 0.000 0.000) 0.000 32.312 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 27.962 0.000 0.000) 27.962 0.585 ( 31.177 0.000 0.000) 31.177 0.939 ( 49.106 0.000 0.000) 49.106 1.742 ( -13.778 0.000 0.000) 13.778 2.081 ( -14.149 0.000 0.000) 14.149 2.215 ( 11.548 0.000 0.000) 11.548 2.952 ( -12.092 0.000 0.000) 12.092 2.998 ( -1.710 0.000 0.000) 1.710 3.029 ( -2.247 0.000 0.000) 2.247 3.303 ( 2.086 0.000 0.000) 2.086 3.318 ( -18.417 0.000 0.000) 18.417 3.350 ( 6.774 0.000 0.000) 6.774 3.561 ( -3.915 0.000 0.000) 3.915 3.561 ( -0.081 0.000 0.000) 0.081 3.688 ( 10.212 0.000 0.000) 10.212 3.866 ( -4.276 0.000 0.000) 4.276 3.872 ( -9.074 0.000 0.000) 9.074 4.231 ( 7.512 0.000 0.000) 7.512 4.261 ( 8.215 0.000 0.000) 8.215 4.278 ( 4.119 0.000 0.000) 4.119 4.607 ( 3.890 0.000 0.000) 3.890 5.011 ( -0.685 0.000 0.000) 0.685 5.021 ( -4.622 0.000 0.000) 4.622 5.094 ( -4.843 0.000 0.000) 4.843 5.187 ( 2.126 0.000 0.000) 2.126 5.414 ( -5.467 0.000 0.000) 5.467 5.523 ( 2.978 0.000 0.000) 2.978 5.646 ( -2.936 0.000 0.000) 2.936 5.711 ( 2.102 0.000 0.000) 2.102 5.928 ( -2.161 0.000 0.000) 2.161 6.177 ( 5.793 0.000 0.000) 5.793 6.394 ( -2.214 0.000 0.000) 2.214 6.765 ( -2.028 0.000 0.000) 2.028 6.811 ( -3.016 0.000 0.000) 3.016 7.242 ( 1.391 0.000 0.000) 1.391 7.305 ( 1.276 0.000 0.000) 1.276 7.457 ( -3.048 0.000 0.000) 3.048 7.493 ( -3.907 0.000 0.000) 3.907 7.727 ( 7.936 0.000 0.000) 7.936 7.970 ( 4.213 0.000 0.000) 4.213 8.180 ( -4.222 0.000 0.000) 4.222 8.212 ( -2.411 0.000 0.000) 2.411 8.239 ( 5.836 0.000 0.000) 5.836 8.497 ( -1.110 0.000 0.000) 1.110 8.688 ( 0.890 0.000 0.000) 0.890 8.749 ( -0.675 0.000 0.000) 0.675 9.070 ( -0.103 0.000 0.000) 0.103 9.090 ( -0.720 0.000 0.000) 0.720 11.300 ( 2.656 0.000 0.000) 2.656 11.593 ( -6.586 0.000 0.000) 6.586 11.853 ( 5.553 0.000 0.000) 5.553 12.055 ( -1.436 0.000 0.000) 1.436 13.054 ( 0.192 0.000 0.000) 0.192 13.104 ( -1.230 0.000 0.000) 1.230 13.718 ( 3.909 0.000 0.000) 3.909 14.006 ( -3.438 0.000 0.000) 3.438 15.204 ( 0.135 0.000 0.000) 0.135 15.215 ( -0.126 0.000 0.000) 0.126 16.053 ( 0.209 0.000 0.000) 0.209 16.069 ( 0.529 0.000 0.000) 0.529 16.070 ( -0.216 0.000 0.000) 0.216 16.128 ( -0.902 0.000 0.000) 0.902 16.351 ( 1.298 0.000 0.000) 1.298 16.454 ( -1.250 0.000 0.000) 1.250 17.346 ( 1.289 0.000 0.000) 1.289 17.422 ( -0.578 0.000 0.000) 0.578 17.648 ( 0.532 0.000 0.000) 0.532 17.709 ( -1.014 0.000 0.000) 1.014 26.848 ( 0.315 0.000 0.000) 0.315 26.887 ( -0.741 0.000 0.000) 0.741 27.003 ( 0.818 0.000 0.000) 0.818 27.044 ( -0.313 0.000 0.000) 0.313 27.135 ( 1.361 0.000 0.000) 1.361 27.254 ( -1.614 0.000 0.000) 1.614 28.355 ( 1.897 0.000 0.000) 1.897 28.499 ( -1.698 0.000 0.000) 1.698 28.889 ( 4.029 0.000 0.000) 4.029 29.255 ( -5.444 0.000 0.000) 5.444 30.129 ( 3.628 0.000 0.000) 3.628 30.339 ( -1.962 0.000 0.000) 1.962 30.805 ( 0.569 0.000 0.000) 0.569 30.855 ( -0.673 0.000 0.000) 0.673 32.312 ( 0.051 0.000 0.000) 0.051 32.316 ( -0.048 0.000 0.000) 0.048 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 24.900 0.000 0.000) 24.900 1.134 ( 28.025 0.000 0.000) 28.025 1.431 ( -19.935 0.000 0.000) 19.935 1.542 ( -6.485 0.000 0.000) 6.485 2.002 ( 29.036 0.000 0.000) 29.036 2.452 ( 13.879 0.000 0.000) 13.879 2.711 ( -13.877 0.000 0.000) 13.877 2.721 ( -38.962 0.000 0.000) 38.962 2.979 ( -0.506 0.000 0.000) 0.506 2.991 ( -1.593 0.000 0.000) 1.593 3.363 ( 4.144 0.000 0.000) 4.144 3.419 ( -0.205 0.000 0.000) 0.205 3.579 ( 3.154 0.000 0.000) 3.154 3.608 ( 0.521 0.000 0.000) 0.521 3.759 ( -2.034 0.000 0.000) 2.034 3.788 ( -3.827 0.000 0.000) 3.827 3.933 ( 14.809 0.000 0.000) 14.809 4.186 ( -11.395 0.000 0.000) 11.395 4.358 ( 4.783 0.000 0.000) 4.783 4.373 ( 3.186 0.000 0.000) 3.186 4.752 ( 9.456 0.000 0.000) 9.456 4.910 ( -7.428 0.000 0.000) 7.428 4.995 ( -0.567 0.000 0.000) 0.567 5.014 ( -3.008 0.000 0.000) 3.008 5.235 ( 3.218 0.000 0.000) 3.218 5.311 ( -5.095 0.000 0.000) 5.095 5.561 ( 1.320 0.000 0.000) 1.320 5.592 ( -2.447 0.000 0.000) 2.447 5.779 ( 4.882 0.000 0.000) 4.882 5.868 ( -4.315 0.000 0.000) 4.315 6.285 ( 5.086 0.000 0.000) 5.086 6.352 ( -2.485 0.000 0.000) 2.485 6.728 ( -1.230 0.000 0.000) 1.230 6.744 ( -3.100 0.000 0.000) 3.100 7.304 ( 5.061 0.000 0.000) 5.061 7.340 ( 2.484 0.000 0.000) 2.484 7.395 ( -3.379 0.000 0.000) 3.379 7.406 ( -5.447 0.000 0.000) 5.447 7.896 ( 9.719 0.000 0.000) 9.719 8.061 ( 5.198 0.000 0.000) 5.198 8.064 ( -8.074 0.000 0.000) 8.074 8.150 ( -4.275 0.000 0.000) 4.275 8.361 ( 6.453 0.000 0.000) 6.453 8.456 ( -3.637 0.000 0.000) 3.637 8.709 ( 1.277 0.000 0.000) 1.277 8.732 ( -1.152 0.000 0.000) 1.152 9.070 ( 0.115 0.000 0.000) 0.115 9.077 ( -0.650 0.000 0.000) 0.650 11.370 ( 4.836 0.000 0.000) 4.836 11.473 ( -6.234 0.000 0.000) 6.234 11.947 ( 4.474 0.000 0.000) 4.474 12.015 ( -2.960 0.000 0.000) 2.960 13.061 ( 0.674 0.000 0.000) 0.674 13.080 ( -1.272 0.000 0.000) 1.272 13.811 ( 5.880 0.000 0.000) 5.880 13.920 ( -5.631 0.000 0.000) 5.631 15.208 ( 0.215 0.000 0.000) 0.215 15.212 ( -0.210 0.000 0.000) 0.210 16.058 ( 0.341 0.000 0.000) 0.341 16.065 ( -0.345 0.000 0.000) 0.345 16.084 ( 1.071 0.000 0.000) 1.071 16.107 ( -1.319 0.000 0.000) 1.319 16.383 ( 2.105 0.000 0.000) 2.105 16.423 ( -2.058 0.000 0.000) 2.058 17.376 ( 1.746 0.000 0.000) 1.746 17.405 ( -1.298 0.000 0.000) 1.298 17.663 ( 1.077 0.000 0.000) 1.077 17.686 ( -1.385 0.000 0.000) 1.385 26.857 ( 0.633 0.000 0.000) 0.633 26.871 ( -0.858 0.000 0.000) 0.858 27.020 ( 0.947 0.000 0.000) 0.947 27.035 ( -0.673 0.000 0.000) 0.673 27.169 ( 2.304 0.000 0.000) 2.304 27.215 ( -2.457 0.000 0.000) 2.457 28.402 ( 2.942 0.000 0.000) 2.942 28.456 ( -2.822 0.000 0.000) 2.822 28.992 ( 6.892 0.000 0.000) 6.892 29.129 ( -7.652 0.000 0.000) 7.652 30.209 ( 4.591 0.000 0.000) 4.591 30.287 ( -3.675 0.000 0.000) 3.675 30.819 ( 0.969 0.000 0.000) 0.969 30.838 ( -1.034 0.000 0.000) 1.034 32.313 ( 0.081 0.000 0.000) 0.081 32.315 ( -0.080 0.000 0.000) 0.080 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.000 26.667 0.000) 26.667 0.550 ( 0.000 28.461 0.000) 28.461 1.079 ( 0.000 54.733 0.000) 54.733 1.998 ( 0.000 8.836 0.000) 8.836 2.159 ( 0.000 8.571 0.000) 8.571 2.258 ( 0.000 3.161 0.000) 3.161 2.916 ( 0.000 -9.096 0.000) 9.096 2.951 ( 0.000 -8.554 0.000) 8.554 3.076 ( 0.000 -4.901 0.000) 4.901 3.204 ( 0.000 -7.377 0.000) 7.377 3.364 ( 0.000 -2.694 0.000) 2.694 3.408 ( 0.000 11.330 0.000) 11.330 3.499 ( 0.000 0.928 0.000) 0.928 3.605 ( 0.000 10.656 0.000) 10.656 3.890 ( 0.000 7.467 0.000) 7.467 4.093 ( 0.000 13.696 0.000) 13.696 4.097 ( 0.000 0.471 0.000) 0.471 4.174 ( 0.000 14.117 0.000) 14.117 4.236 ( 0.000 6.132 0.000) 6.132 4.452 ( 0.000 3.230 0.000) 3.230 4.644 ( 0.000 5.545 0.000) 5.545 4.902 ( 0.000 -3.206 0.000) 3.206 4.930 ( 0.000 -16.165 0.000) 16.165 4.931 ( 0.000 -11.091 0.000) 11.091 5.361 ( 0.000 -10.552 0.000) 10.552 5.427 ( 0.000 5.408 0.000) 5.408 5.522 ( 0.000 2.589 0.000) 2.589 5.821 ( 0.000 -11.761 0.000) 11.761 5.870 ( 0.000 14.014 0.000) 14.014 5.942 ( 0.000 0.873 0.000) 0.873 6.189 ( 0.000 2.712 0.000) 2.712 6.191 ( 0.000 5.855 0.000) 5.855 6.777 ( 0.000 -0.936 0.000) 0.936 6.826 ( 0.000 -1.130 0.000) 1.130 6.857 ( 0.000 -1.703 0.000) 1.703 6.983 ( 0.000 -16.208 0.000) 16.208 7.323 ( 0.000 -13.478 0.000) 13.478 7.445 ( 0.000 6.833 0.000) 6.833 7.472 ( 0.000 -6.824 0.000) 6.824 7.839 ( 0.000 7.776 0.000) 7.776 8.096 ( 0.000 -5.305 0.000) 5.305 8.120 ( 0.000 -4.940 0.000) 4.940 8.129 ( 0.000 1.508 0.000) 1.508 8.428 ( 0.000 11.049 0.000) 11.049 8.638 ( 0.000 -4.875 0.000) 4.875 8.959 ( 0.000 2.739 0.000) 2.739 9.039 ( 0.000 -2.770 0.000) 2.770 9.569 ( 0.000 -4.302 0.000) 4.302 11.302 ( 0.000 2.759 0.000) 2.759 11.697 ( 0.000 1.047 0.000) 1.047 11.766 ( 0.000 -0.509 0.000) 0.509 12.058 ( 0.000 -4.746 0.000) 4.746 13.105 ( 0.000 5.143 0.000) 5.143 13.136 ( 0.000 2.009 0.000) 2.009 13.656 ( 0.000 -2.400 0.000) 2.400 13.987 ( 0.000 -3.442 0.000) 3.442 15.208 ( 0.000 0.795 0.000) 0.795 15.755 ( 0.000 -0.115 0.000) 0.115 15.918 ( 0.000 -2.971 0.000) 2.971 15.983 ( 0.000 -4.725 0.000) 4.725 16.111 ( 0.000 3.105 0.000) 3.105 16.113 ( 0.000 2.732 0.000) 2.732 16.150 ( 0.000 1.261 0.000) 1.261 16.451 ( 0.000 -1.581 0.000) 1.581 17.351 ( 0.000 1.713 0.000) 1.713 17.437 ( 0.000 0.975 0.000) 0.975 17.519 ( 0.000 0.038 0.000) 0.038 17.638 ( 0.000 -0.617 0.000) 0.617 26.823 ( 0.000 0.624 0.000) 0.624 26.872 ( 0.000 -1.743 0.000) 1.743 26.985 ( 0.000 -0.930 0.000) 0.930 27.037 ( 0.000 -1.058 0.000) 1.058 27.332 ( 0.000 5.765 0.000) 5.765 28.225 ( 0.000 -9.821 0.000) 9.821 28.531 ( 0.000 1.526 0.000) 1.526 28.831 ( 0.000 -2.000 0.000) 2.000 29.468 ( 0.000 14.293 0.000) 14.293 29.566 ( 0.000 1.354 0.000) 1.354 29.946 ( 0.000 -1.646 0.000) 1.646 30.095 ( 0.000 0.215 0.000) 0.215 30.387 ( 0.000 2.954 0.000) 2.954 30.794 ( 0.000 -0.279 0.000) 0.279 30.941 ( 0.000 -2.347 0.000) 2.347 32.201 ( 0.000 -11.103 0.000) 11.103 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 15.387 18.590 0.000) 24.132 0.761 ( 23.306 16.810 0.000) 28.736 1.467 ( 31.953 40.392 0.000) 51.503 1.810 ( -15.442 6.670 0.000) 16.821 2.115 ( -12.932 4.207 0.000) 13.600 2.302 ( 10.708 8.193 0.000) 13.483 2.899 ( -1.410 -8.736 0.000) 8.849 2.921 ( -3.143 -7.518 0.000) 8.149 3.023 ( -7.177 1.050 0.000) 7.254 3.189 ( -3.751 -4.421 0.000) 5.798 3.398 ( 2.428 -0.022 0.000) 2.429 3.428 ( 6.093 4.285 0.000) 7.449 3.554 ( 2.740 -0.522 0.000) 2.789 3.625 ( 1.323 9.058 0.000) 9.154 3.712 ( -13.825 14.568 0.000) 20.084 3.925 ( -8.954 5.406 0.000) 10.459 4.125 ( -4.212 15.327 0.000) 15.896 4.201 ( 6.571 -0.318 0.000) 6.579 4.375 ( 5.998 7.008 0.000) 9.224 4.395 ( 1.347 9.499 0.000) 9.594 4.620 ( -0.320 1.226 0.000) 1.267 4.802 ( -2.850 -8.483 0.000) 8.949 4.962 ( 2.904 -9.795 0.000) 10.216 5.093 ( 5.090 -8.799 0.000) 10.165 5.296 ( -5.014 -7.777 0.000) 9.253 5.330 ( -7.433 12.799 0.000) 14.801 5.581 ( 4.725 -1.563 0.000) 4.977 5.674 ( -6.544 3.419 0.000) 7.384 5.807 ( -2.680 -9.701 0.000) 10.064 5.807 ( -5.513 12.223 0.000) 13.409 6.258 ( 5.688 5.952 0.000) 8.233 6.401 ( 2.326 -0.880 0.000) 2.487 6.678 ( -1.190 -7.895 0.000) 7.984 6.781 ( -4.439 -3.495 0.000) 5.649 7.010 ( 2.902 -14.193 0.000) 14.487 7.185 ( 3.769 -19.055 0.000) 19.424 7.354 ( 8.434 -12.301 0.000) 14.915 7.450 ( 0.625 6.463 0.000) 6.494 7.656 ( 15.020 -6.678 0.000) 16.437 7.880 ( 5.137 3.244 0.000) 6.075 8.048 ( -3.335 -6.994 0.000) 7.748 8.174 ( 4.568 -2.539 0.000) 5.226 8.176 ( 3.292 -3.658 0.000) 4.922 8.350 ( -6.439 4.538 0.000) 7.877 8.710 ( 6.316 1.898 0.000) 6.596 8.966 ( 0.612 3.274 0.000) 3.331 9.038 ( -0.107 -2.647 0.000) 2.649 9.346 ( -16.660 7.995 0.000) 18.479 11.338 ( 3.103 2.985 0.000) 4.305 11.610 ( -6.056 1.522 0.000) 6.245 11.845 ( 5.164 -0.913 0.000) 5.244 12.036 ( -1.885 -3.329 0.000) 3.826 13.099 ( -0.348 4.806 0.000) 4.819 13.126 ( -1.007 2.247 0.000) 2.462 13.693 ( 3.837 -2.472 0.000) 4.565 13.966 ( -2.687 -3.689 0.000) 4.564 15.213 ( 0.536 1.145 0.000) 1.265 15.410 ( -13.278 11.545 0.000) 17.595 15.990 ( 0.704 -4.472 0.000) 4.527 16.049 ( 0.224 -3.289 0.000) 3.297 16.115 ( 0.219 2.633 0.000) 2.642 16.142 ( -0.324 1.335 0.000) 1.374 16.234 ( 7.549 -5.686 0.000) 9.450 16.435 ( -1.642 -1.891 0.000) 2.505 17.362 ( 1.196 1.619 0.000) 2.013 17.432 ( -0.523 0.984 0.000) 1.114 17.602 ( 4.488 -4.994 0.000) 6.715 17.640 ( 0.232 -0.850 0.000) 0.882 26.824 ( 0.077 0.214 0.000) 0.228 26.862 ( -0.951 -1.779 0.000) 2.017 26.994 ( 0.853 -0.883 0.000) 1.227 27.034 ( -0.276 -1.022 0.000) 1.059 27.333 ( 0.182 7.076 0.000) 7.078 27.912 ( -46.458 39.550 0.000) 61.013 28.251 ( 2.834 -9.073 0.000) 9.505 28.530 ( -6.289 2.661 0.000) 6.829 28.976 ( 4.997 10.649 0.000) 11.763 29.409 ( -5.953 13.869 0.000) 15.092 30.134 ( 3.794 0.431 0.000) 3.819 30.342 ( -1.662 -0.131 0.000) 1.667 30.798 ( 0.336 -0.511 0.000) 0.611 30.803 ( 3.168 -5.567 0.000) 6.405 31.585 ( 43.341 -43.080 0.000) 61.109 32.191 ( -1.155 -12.047 0.000) 12.103 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 23.066 5.577 0.000) 23.730 1.212 ( 21.931 8.290 0.000) 23.445 1.483 ( -17.519 5.852 0.000) 18.470 1.674 ( -18.025 9.671 0.000) 20.455 2.229 ( 32.084 21.846 0.000) 38.815 2.506 ( 9.748 4.950 0.000) 10.933 2.793 ( -10.450 6.362 0.000) 12.235 2.854 ( -11.317 2.742 0.000) 11.644 2.916 ( -2.586 -5.477 0.000) 6.057 2.935 ( -14.446 5.514 0.000) 15.462 3.444 ( 4.158 4.858 0.000) 6.394 3.534 ( -3.513 6.853 0.000) 7.701 3.593 ( 7.954 -6.317 0.000) 10.157 3.606 ( 1.062 4.507 0.000) 4.631 3.637 ( 0.671 4.391 0.000) 4.442 3.770 ( -8.633 -0.400 0.000) 8.642 4.130 ( 4.706 13.118 0.000) 13.937 4.234 ( -4.155 4.838 0.000) 6.377 4.433 ( 2.636 7.311 0.000) 7.771 4.446 ( 1.880 7.077 0.000) 7.322 4.677 ( 4.723 -6.017 0.000) 7.650 4.751 ( -3.225 -8.729 0.000) 9.306 5.027 ( 4.249 -1.221 0.000) 4.421 5.108 ( -3.121 -3.512 0.000) 4.698 5.223 ( -2.248 -5.822 0.000) 6.241 5.226 ( -2.982 4.490 0.000) 5.390 5.636 ( 1.316 5.130 0.000) 5.296 5.667 ( 3.919 -2.791 0.000) 4.812 5.705 ( -4.533 5.964 0.000) 7.491 5.747 ( -3.751 -9.495 0.000) 10.209 6.350 ( 3.564 4.025 0.000) 5.376 6.390 ( -1.465 1.709 0.000) 2.251 6.675 ( 0.261 -5.151 0.000) 5.157 6.701 ( -3.149 -4.192 0.000) 5.243 7.079 ( 4.163 -14.406 0.000) 14.995 7.152 ( -3.586 -16.691 0.000) 17.072 7.458 ( 2.186 -2.668 0.000) 3.449 7.465 ( 0.689 4.038 0.000) 4.096 7.853 ( 7.677 -3.032 0.000) 8.254 7.972 ( -5.202 -6.018 0.000) 7.955 8.015 ( 7.987 -2.725 0.000) 8.439 8.156 ( -6.607 -0.947 0.000) 6.675 8.258 ( 3.296 -7.031 0.000) 7.766 8.281 ( -0.106 -4.819 0.000) 4.820 8.845 ( 8.047 9.053 0.000) 12.112 8.963 ( -2.372 8.350 0.000) 8.681 9.037 ( 0.231 -2.702 0.000) 2.712 9.096 ( -8.966 3.369 0.000) 9.578 11.407 ( 4.458 3.211 0.000) 5.494 11.501 ( -5.621 2.507 0.000) 6.154 11.931 ( 4.088 -1.763 0.000) 4.452 11.994 ( -2.798 -2.544 0.000) 3.781 13.097 ( 0.194 3.838 0.000) 3.843 13.107 ( -0.869 2.912 0.000) 3.039 13.785 ( 5.708 -2.711 0.000) 6.319 13.889 ( -5.296 -3.142 0.000) 6.158 15.230 ( 1.377 2.411 0.000) 2.776 15.272 ( -3.763 5.566 0.000) 6.719 16.009 ( 1.262 -3.790 0.000) 3.994 16.033 ( -1.323 -2.931 0.000) 3.216 16.122 ( 0.466 2.366 0.000) 2.412 16.132 ( -0.604 1.939 0.000) 2.030 16.331 ( 3.923 -4.234 0.000) 5.772 16.393 ( -2.872 -2.767 0.000) 3.988 17.390 ( 1.612 1.392 0.000) 2.129 17.416 ( -1.177 1.146 0.000) 1.643 17.644 ( 0.653 -3.348 0.000) 3.412 17.645 ( 0.262 -1.667 0.000) 1.687 26.829 ( 0.502 -0.779 0.000) 0.926 26.843 ( -0.980 -1.565 0.000) 1.847 27.011 ( 0.934 -0.865 0.000) 1.273 27.026 ( -0.629 -0.935 0.000) 1.126 27.350 ( 2.291 11.567 0.000) 11.792 27.455 ( -11.027 22.048 0.000) 24.652 28.324 ( 4.844 -6.834 0.000) 8.376 28.423 ( -5.717 -3.139 0.000) 6.522 29.110 ( 8.500 11.623 0.000) 14.399 29.271 ( -8.554 13.013 0.000) 15.572 30.215 ( 4.597 0.533 0.000) 4.627 30.292 ( -3.580 0.363 0.000) 3.598 30.806 ( 0.527 -1.183 0.000) 1.295 30.815 ( -0.312 -2.300 0.000) 2.321 32.026 ( 11.596 -25.350 0.000) 27.876 32.151 ( -3.655 -15.709 0.000) 16.129 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.000 28.348 0.000) 28.348 1.085 ( 0.000 27.166 0.000) 27.166 2.043 ( 0.000 41.867 0.000) 41.867 2.215 ( 0.000 12.490 0.000) 12.490 2.343 ( 0.000 9.485 0.000) 9.485 2.356 ( 0.000 7.806 0.000) 7.806 2.731 ( 0.000 -9.151 0.000) 9.151 2.774 ( 0.000 -7.439 0.000) 7.439 2.942 ( 0.000 -8.216 0.000) 8.216 3.030 ( 0.000 -10.412 0.000) 10.412 3.269 ( 0.000 -7.303 0.000) 7.303 3.514 ( 0.000 1.332 0.000) 1.332 3.669 ( 0.000 15.266 0.000) 15.266 3.930 ( 0.000 20.418 0.000) 20.418 4.059 ( 0.000 7.830 0.000) 7.830 4.129 ( 0.000 1.635 0.000) 1.635 4.357 ( 0.000 12.875 0.000) 12.875 4.368 ( 0.000 7.982 0.000) 7.982 4.474 ( 0.000 15.336 0.000) 15.336 4.530 ( 0.000 3.991 0.000) 3.991 4.664 ( 0.000 -9.516 0.000) 9.516 4.714 ( 0.000 -10.078 0.000) 10.078 4.804 ( 0.000 9.961 0.000) 9.961 4.810 ( 0.000 -6.276 0.000) 6.276 5.158 ( 0.000 -8.640 0.000) 8.640 5.467 ( 0.000 -1.991 0.000) 1.991 5.535 ( 0.000 -17.314 0.000) 17.314 5.570 ( 0.000 2.072 0.000) 2.072 6.000 ( 0.000 5.546 0.000) 5.546 6.111 ( 0.000 9.601 0.000) 9.601 6.243 ( 0.000 2.908 0.000) 2.908 6.273 ( 0.000 1.913 0.000) 1.913 6.688 ( 0.000 -12.919 0.000) 12.919 6.748 ( 0.000 -2.046 0.000) 2.046 6.795 ( 0.000 -2.225 0.000) 2.225 6.805 ( 0.000 -3.450 0.000) 3.450 7.042 ( 0.000 -14.770 0.000) 14.770 7.289 ( 0.000 -11.869 0.000) 11.869 7.564 ( 0.000 6.442 0.000) 6.442 7.982 ( 0.000 6.799 0.000) 6.799 8.009 ( 0.000 -5.937 0.000) 5.937 8.013 ( 0.000 -3.610 0.000) 3.610 8.160 ( 0.000 1.466 0.000) 1.466 8.480 ( 0.000 -11.371 0.000) 11.371 8.626 ( 0.000 9.109 0.000) 9.109 8.987 ( 0.000 -2.524 0.000) 2.524 9.026 ( 0.000 4.065 0.000) 4.065 9.459 ( 0.000 -6.678 0.000) 6.678 11.379 ( 0.000 5.136 0.000) 5.136 11.716 ( 0.000 0.815 0.000) 0.815 11.754 ( 0.000 -0.713 0.000) 0.713 11.940 ( 0.000 -7.250 0.000) 7.250 13.194 ( 0.000 3.973 0.000) 3.973 13.235 ( 0.000 8.045 0.000) 8.045 13.592 ( 0.000 -4.218 0.000) 4.218 13.892 ( 0.000 -6.329 0.000) 6.329 15.248 ( 0.000 3.739 0.000) 3.739 15.755 ( 0.000 0.135 0.000) 0.135 15.861 ( 0.000 -2.790 0.000) 2.790 15.870 ( 0.000 -7.157 0.000) 7.157 16.167 ( 0.000 2.857 0.000) 2.857 16.170 ( 0.000 2.749 0.000) 2.749 16.180 ( 0.000 1.733 0.000) 1.733 16.408 ( 0.000 -2.813 0.000) 2.813 17.396 ( 0.000 2.942 0.000) 2.942 17.461 ( 0.000 1.423 0.000) 1.423 17.519 ( 0.000 -0.031 0.000) 0.031 17.618 ( 0.000 -1.506 0.000) 1.506 26.842 ( 0.000 1.346 0.000) 1.346 26.849 ( 0.000 -0.382 0.000) 0.382 26.961 ( 0.000 -1.545 0.000) 1.545 27.008 ( 0.000 -1.912 0.000) 1.912 27.459 ( 0.000 6.865 0.000) 6.865 28.024 ( 0.000 -10.231 0.000) 10.231 28.568 ( 0.000 2.201 0.000) 2.201 28.780 ( 0.000 -3.148 0.000) 3.148 29.607 ( 0.000 2.942 0.000) 2.942 29.768 ( 0.000 15.141 0.000) 15.141 29.903 ( 0.000 -2.784 0.000) 2.784 30.100 ( 0.000 0.350 0.000) 0.350 30.463 ( 0.000 4.757 0.000) 4.757 30.809 ( 0.000 2.520 0.000) 2.520 30.877 ( 0.000 -4.241 0.000) 4.241 31.914 ( 0.000 -17.972 0.000) 17.972 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 3.791 25.541 0.000) 25.821 1.165 ( 13.830 24.010 0.000) 27.708 1.978 ( -17.726 10.322 0.000) 20.513 2.141 ( -4.242 17.159 0.000) 17.676 2.329 ( 9.363 23.496 0.000) 25.292 2.476 ( 7.485 8.314 0.000) 11.187 2.708 ( -1.438 -10.988 0.000) 11.082 2.770 ( 0.418 -3.664 0.000) 3.688 2.954 ( 0.586 -6.554 0.000) 6.581 3.111 ( 7.135 -4.144 0.000) 8.251 3.346 ( 7.104 -4.810 0.000) 8.580 3.507 ( -0.966 3.256 0.000) 3.396 3.666 ( 0.126 11.844 0.000) 11.844 3.926 ( -0.992 19.494 0.000) 19.519 3.969 ( -5.876 6.496 0.000) 8.759 4.091 ( -17.044 15.244 0.000) 22.866 4.244 ( 6.618 4.519 0.000) 8.014 4.398 ( -4.500 11.894 0.000) 12.716 4.494 ( 4.862 4.403 0.000) 6.560 4.575 ( 2.895 7.654 0.000) 8.183 4.627 ( -2.367 -1.311 0.000) 2.706 4.651 ( -2.911 -5.221 0.000) 5.977 4.859 ( 3.796 0.717 0.000) 3.863 4.891 ( 3.555 -11.499 0.000) 12.036 5.152 ( -0.139 -5.298 0.000) 5.300 5.403 ( -5.055 -4.616 0.000) 6.845 5.559 ( -0.824 -0.430 0.000) 0.929 5.575 ( 1.970 -11.698 0.000) 11.863 5.849 ( -9.179 11.283 0.000) 14.545 6.034 ( -6.398 9.555 0.000) 11.499 6.334 ( 3.933 1.228 0.000) 4.120 6.350 ( 6.126 -3.252 0.000) 6.936 6.539 ( -7.172 -5.815 0.000) 9.234 6.646 ( -3.303 -10.062 0.000) 10.590 6.799 ( -0.057 -7.019 0.000) 7.020 6.908 ( -4.113 -12.211 0.000) 12.885 7.151 ( 14.137 -8.200 0.000) 16.343 7.496 ( 16.784 -10.030 0.000) 19.553 7.550 ( -1.544 4.841 0.000) 5.081 7.949 ( -2.512 -3.105 0.000) 3.993 7.988 ( 0.757 6.134 0.000) 6.181 8.094 ( 4.133 -4.696 0.000) 6.256 8.169 ( 0.933 0.574 0.000) 1.095 8.340 ( -10.090 -5.905 0.000) 11.691 8.759 ( 9.712 3.349 0.000) 10.274 8.995 ( 0.850 -1.698 0.000) 1.899 9.025 ( -0.191 3.213 0.000) 3.219 9.365 ( -9.228 -3.275 0.000) 9.792 11.410 ( 3.016 4.621 0.000) 5.519 11.643 ( -4.802 1.869 0.000) 5.153 11.817 ( 3.792 -1.944 0.000) 4.261 11.934 ( -0.651 -6.733 0.000) 6.764 13.191 ( -0.216 4.506 0.000) 4.511 13.225 ( -0.945 7.918 0.000) 7.974 13.626 ( 3.554 -4.434 0.000) 5.683 13.870 ( -2.420 -6.236 0.000) 6.689 15.262 ( 1.473 4.212 0.000) 4.462 15.570 ( -11.657 6.001 0.000) 13.111 15.882 ( 1.277 -6.850 0.000) 6.968 15.948 ( 2.619 -5.887 0.000) 6.443 16.166 ( -0.063 2.650 0.000) 2.650 16.174 ( -0.102 1.886 0.000) 1.889 16.201 ( 2.754 0.545 0.000) 2.808 16.387 ( -2.130 -2.929 0.000) 3.622 17.405 ( 0.917 2.755 0.000) 2.904 17.457 ( -0.389 1.536 0.000) 1.584 17.548 ( 2.423 -1.495 0.000) 2.847 17.616 ( -0.239 -1.668 0.000) 1.685 26.840 ( -0.189 1.378 0.000) 1.391 26.842 ( -0.542 -0.036 0.000) 0.543 26.970 ( 0.894 -1.538 0.000) 1.779 27.006 ( -0.182 -1.857 0.000) 1.866 27.484 ( 2.882 7.985 0.000) 8.490 28.065 ( 4.400 -9.583 0.000) 10.545 28.316 ( -29.369 9.098 0.000) 30.746 28.560 ( -13.859 -0.162 0.000) 13.859 29.282 ( -0.324 18.014 0.000) 18.017 29.703 ( -6.266 15.184 0.000) 16.426 30.143 ( 3.890 0.369 0.000) 3.908 30.295 ( 4.031 -6.261 0.000) 7.446 30.669 ( 13.050 -5.587 0.000) 14.196 30.805 ( -0.440 1.982 0.000) 2.030 31.059 ( 24.868 -14.904 0.000) 28.992 31.885 ( -3.290 -18.819 0.000) 19.104 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 13.906 17.589 0.000) 22.422 1.445 ( 9.661 15.443 0.000) 18.215 1.667 ( -9.501 13.160 0.000) 16.231 1.880 ( -17.937 12.210 0.000) 21.698 2.550 ( 5.495 -0.286 0.000) 5.503 2.569 ( 1.965 -1.457 0.000) 2.446 2.730 ( 4.604 -7.584 0.000) 8.872 2.811 ( -0.425 -1.278 0.000) 1.347 3.014 ( 11.614 19.011 0.000) 22.278 3.202 ( -0.916 12.182 0.000) 12.216 3.465 ( 3.820 -0.885 0.000) 3.922 3.490 ( -0.747 -0.186 0.000) 0.770 3.667 ( -0.130 7.098 0.000) 7.100 3.751 ( -13.604 8.456 0.000) 16.017 3.891 ( -1.853 17.898 0.000) 17.994 3.898 ( -3.007 15.839 0.000) 16.122 4.348 ( 3.176 6.049 0.000) 6.833 4.363 ( 0.122 10.361 0.000) 10.362 4.560 ( 2.549 -1.848 0.000) 3.148 4.597 ( -1.336 -4.308 0.000) 4.510 4.609 ( 0.792 5.460 0.000) 5.518 4.626 ( -0.110 7.858 0.000) 7.859 4.900 ( 0.652 -9.035 0.000) 9.059 4.909 ( -0.601 -13.270 0.000) 13.284 5.184 ( 4.127 0.652 0.000) 4.178 5.292 ( -6.762 -0.288 0.000) 6.768 5.551 ( 0.181 -5.152 0.000) 5.155 5.570 ( -1.709 -8.756 0.000) 8.921 5.798 ( 3.438 10.744 0.000) 11.281 5.907 ( -7.083 10.201 0.000) 12.419 6.364 ( -0.427 -3.097 0.000) 3.126 6.366 ( -1.497 -4.147 0.000) 4.409 6.554 ( 4.943 -6.863 0.000) 8.458 6.609 ( -1.065 -4.800 0.000) 4.917 6.791 ( -0.121 -14.718 0.000) 14.718 6.826 ( -3.808 -15.522 0.000) 15.982 7.375 ( 9.488 -3.915 0.000) 10.264 7.499 ( -4.354 1.009 0.000) 4.469 7.771 ( 11.586 -6.690 0.000) 13.379 7.903 ( -3.434 -1.696 0.000) 3.830 8.017 ( 2.826 2.714 0.000) 3.918 8.108 ( -5.172 -3.510 0.000) 6.250 8.188 ( 0.872 -1.777 0.000) 1.980 8.199 ( -1.993 -4.064 0.000) 4.527 8.944 ( 9.741 0.605 0.000) 9.760 9.017 ( -0.749 0.830 0.000) 1.118 9.017 ( 2.009 1.468 0.000) 2.488 9.166 ( -11.395 1.490 0.000) 11.492 11.477 ( 4.066 3.998 0.000) 5.702 11.556 ( -4.574 3.161 0.000) 5.559 11.877 ( 2.650 -3.778 0.000) 4.615 11.915 ( -1.500 -5.461 0.000) 5.664 13.192 ( 0.392 5.796 0.000) 5.810 13.205 ( -1.030 7.151 0.000) 7.225 13.710 ( 5.189 -4.987 0.000) 7.197 13.804 ( -4.641 -5.698 0.000) 7.348 15.305 ( 3.441 5.534 0.000) 6.516 15.398 ( -6.935 7.090 0.000) 9.918 15.914 ( 2.063 -6.155 0.000) 6.491 15.950 ( -1.513 -5.719 0.000) 5.915 16.166 ( 0.104 2.217 0.000) 2.219 16.170 ( -0.293 1.908 0.000) 1.931 16.265 ( 3.853 -2.202 0.000) 4.438 16.334 ( -3.486 -2.999 0.000) 4.598 17.426 ( 1.217 2.305 0.000) 2.607 17.446 ( -0.852 1.837 0.000) 2.025 17.587 ( 1.609 -2.415 0.000) 2.902 17.607 ( -0.704 -2.101 0.000) 2.216 26.835 ( -0.166 0.730 0.000) 0.749 26.836 ( -0.227 1.283 0.000) 1.303 26.988 ( 0.866 -1.586 0.000) 1.807 27.000 ( -0.492 -1.721 0.000) 1.790 27.580 ( 8.293 11.286 0.000) 14.005 27.826 ( -19.730 15.147 0.000) 24.873 28.181 ( 7.974 -7.556 0.000) 10.985 28.350 ( -10.240 -4.195 0.000) 11.067 29.394 ( 8.885 16.705 0.000) 18.921 29.561 ( -8.776 15.929 0.000) 18.187 30.220 ( 4.129 -0.386 0.000) 4.147 30.285 ( -2.698 -1.741 0.000) 3.211 30.767 ( 2.025 -1.933 0.000) 2.800 30.792 ( -0.941 0.448 0.000) 1.042 31.524 ( 19.836 -24.201 0.000) 31.291 31.779 ( -8.902 -21.382 0.000) 23.161 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.000 27.628 0.000) 27.628 1.583 ( 0.000 24.534 0.000) 24.534 2.354 ( 0.000 -11.723 0.000) 11.723 2.355 ( 0.000 -4.445 0.000) 4.445 2.445 ( 0.000 7.255 0.000) 7.255 2.501 ( 0.000 6.962 0.000) 6.962 2.626 ( 0.000 1.723 0.000) 1.723 2.777 ( 0.000 -8.808 0.000) 8.808 2.838 ( 0.000 -7.487 0.000) 7.487 3.059 ( 0.000 31.615 0.000) 31.615 3.095 ( 0.000 -10.438 0.000) 10.438 3.547 ( 0.000 1.304 0.000) 1.304 3.972 ( 0.000 16.086 0.000) 16.086 4.126 ( 0.000 -0.217 0.000) 0.217 4.134 ( 0.000 -0.847 0.000) 0.847 4.296 ( 0.000 15.491 0.000) 15.491 4.500 ( 0.000 -5.041 0.000) 5.041 4.530 ( 0.000 7.682 0.000) 7.682 4.559 ( 0.000 6.492 0.000) 6.492 4.591 ( 0.000 -9.447 0.000) 9.447 4.620 ( 0.000 5.216 0.000) 5.216 4.671 ( 0.000 4.119 0.000) 4.119 4.763 ( 0.000 4.948 0.000) 4.948 4.870 ( 0.000 -4.796 0.000) 4.796 5.174 ( 0.000 11.122 0.000) 11.122 5.213 ( 0.000 -12.906 0.000) 12.906 5.359 ( 0.000 -8.467 0.000) 8.467 5.563 ( 0.000 -3.927 0.000) 3.927 6.140 ( 0.000 8.182 0.000) 8.182 6.213 ( 0.000 1.693 0.000) 1.693 6.268 ( 0.000 -1.746 0.000) 1.746 6.296 ( 0.000 2.019 0.000) 2.019 6.551 ( 0.000 -0.789 0.000) 0.789 6.705 ( 0.000 -2.118 0.000) 2.118 6.728 ( 0.000 -4.980 0.000) 4.980 6.748 ( 0.000 -1.521 0.000) 1.521 6.797 ( 0.000 -9.562 0.000) 9.562 7.036 ( 0.000 -13.679 0.000) 13.679 7.716 ( 0.000 9.672 0.000) 9.672 7.918 ( 0.000 -3.076 0.000) 3.076 7.954 ( 0.000 -2.461 0.000) 2.461 8.093 ( 0.000 4.698 0.000) 4.698 8.177 ( 0.000 0.133 0.000) 0.133 8.228 ( 0.000 -14.064 0.000) 14.064 8.771 ( 0.000 6.084 0.000) 6.084 8.935 ( 0.000 -3.035 0.000) 3.035 9.110 ( 0.000 4.696 0.000) 4.696 9.328 ( 0.000 -6.729 0.000) 6.729 11.495 ( 0.000 6.871 0.000) 6.871 11.727 ( 0.000 0.315 0.000) 0.315 11.741 ( 0.000 -0.587 0.000) 0.587 11.791 ( 0.000 -8.045 0.000) 8.045 13.285 ( 0.000 5.317 0.000) 5.317 13.402 ( 0.000 9.193 0.000) 9.193 13.499 ( 0.000 -5.320 0.000) 5.320 13.750 ( 0.000 -8.297 0.000) 8.297 15.357 ( 0.000 7.531 0.000) 7.531 15.711 ( 0.000 -9.256 0.000) 9.256 15.762 ( 0.000 0.670 0.000) 0.670 15.814 ( 0.000 -2.081 0.000) 2.081 16.210 ( 0.000 1.268 0.000) 1.268 16.211 ( 0.000 1.448 0.000) 1.448 16.223 ( 0.000 3.039 0.000) 3.039 16.347 ( 0.000 -3.333 0.000) 3.333 17.459 ( 0.000 3.434 0.000) 3.434 17.488 ( 0.000 1.238 0.000) 1.238 17.516 ( 0.000 -0.284 0.000) 0.284 17.579 ( 0.000 -2.494 0.000) 2.494 26.858 ( 0.000 1.218 0.000) 1.218 26.875 ( 0.000 2.034 0.000) 2.034 26.927 ( 0.000 -1.906 0.000) 1.906 26.966 ( 0.000 -2.403 0.000) 2.403 27.586 ( 0.000 6.341 0.000) 6.341 27.847 ( 0.000 -8.171 0.000) 8.171 28.612 ( 0.000 2.351 0.000) 2.351 28.717 ( 0.000 -3.220 0.000) 3.220 29.676 ( 0.000 4.195 0.000) 4.195 29.840 ( 0.000 -3.752 0.000) 3.752 29.998 ( 0.000 8.245 0.000) 8.245 30.105 ( 0.000 0.019 0.000) 0.019 30.564 ( 0.000 5.614 0.000) 5.614 30.783 ( 0.000 -5.412 0.000) 5.412 30.924 ( 0.000 10.048 0.000) 10.048 31.546 ( 0.000 -19.603 0.000) 19.603 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.664 24.036 0.000) 24.045 1.644 ( 7.676 25.032 0.000) 26.182 2.191 ( -15.656 11.412 0.000) 19.374 2.351 ( -4.540 -6.752 0.000) 8.136 2.356 ( -4.860 2.480 0.000) 5.456 2.453 ( 0.590 -14.344 0.000) 14.356 2.567 ( -5.194 -2.040 0.000) 5.580 2.754 ( -2.518 -9.285 0.000) 9.620 3.054 ( 17.029 -0.251 0.000) 17.031 3.192 ( 13.082 28.661 0.000) 31.506 3.234 ( 12.003 -6.400 0.000) 13.603 3.562 ( 0.730 2.415 0.000) 2.523 3.937 ( -3.411 15.419 0.000) 15.792 4.048 ( -3.883 4.091 0.000) 5.640 4.238 ( 5.969 -2.264 0.000) 6.384 4.288 ( -1.344 16.299 0.000) 16.354 4.455 ( -6.783 15.715 0.000) 17.116 4.501 ( -0.013 -4.726 0.000) 4.726 4.538 ( -3.157 -0.530 0.000) 3.201 4.555 ( -0.504 3.056 0.000) 3.098 4.618 ( -0.591 0.780 0.000) 0.979 4.672 ( -1.298 -6.767 0.000) 6.891 4.789 ( 1.955 5.520 0.000) 5.856 4.861 ( -0.841 -3.459 0.000) 3.560 5.187 ( 1.247 8.945 0.000) 9.032 5.220 ( 0.675 -10.191 0.000) 10.213 5.374 ( 1.391 -9.474 0.000) 9.576 5.529 ( -3.382 -3.929 0.000) 5.184 6.069 ( -5.993 10.884 0.000) 12.425 6.152 ( -4.187 3.458 0.000) 5.431 6.302 ( 0.583 -2.089 0.000) 2.169 6.310 ( 1.251 -3.339 0.000) 3.565 6.458 ( -9.641 -2.124 0.000) 9.872 6.508 ( -3.112 -2.386 0.000) 3.921 6.676 ( -5.287 -6.642 0.000) 8.489 6.677 ( -6.715 -11.613 0.000) 13.415 7.057 ( 17.303 -1.301 0.000) 17.352 7.288 ( 18.637 -10.992 0.000) 21.637 7.668 ( -4.525 7.860 0.000) 9.070 7.926 ( -0.846 0.063 0.000) 0.849 8.002 ( 4.561 -4.646 0.000) 6.511 8.092 ( -0.228 4.459 0.000) 4.465 8.166 ( -5.196 -10.525 0.000) 11.737 8.175 ( -0.224 -0.155 0.000) 0.272 8.831 ( 5.777 3.866 0.000) 6.952 8.959 ( 2.490 -2.398 0.000) 3.458 9.092 ( -1.921 3.883 0.000) 4.332 9.275 ( -5.380 -5.353 0.000) 7.589 11.515 ( 2.069 6.320 0.000) 6.650 11.681 ( -3.047 2.068 0.000) 3.682 11.773 ( 1.599 -2.538 0.000) 3.000 11.794 ( 0.234 -7.639 0.000) 7.642 13.293 ( 0.942 5.943 0.000) 6.017 13.390 ( -1.293 9.042 0.000) 9.134 13.528 ( 2.959 -5.717 0.000) 6.437 13.731 ( -2.062 -8.123 0.000) 8.381 15.378 ( 2.213 7.760 0.000) 8.070 15.667 ( -7.130 4.506 0.000) 8.435 15.729 ( 1.857 -8.989 0.000) 9.179 15.843 ( 0.498 -5.057 0.000) 5.082 16.207 ( -0.284 1.326 0.000) 1.356 16.217 ( 0.664 0.746 0.000) 0.999 16.217 ( -0.581 2.711 0.000) 2.773 16.328 ( -1.946 -3.102 0.000) 3.662 17.463 ( 0.477 3.185 0.000) 3.220 17.486 ( -0.109 1.431 0.000) 1.436 17.528 ( 1.059 -0.859 0.000) 1.363 17.576 ( -0.334 -2.428 0.000) 2.451 26.858 ( 0.129 1.566 0.000) 1.571 26.874 ( -0.097 2.087 0.000) 2.089 26.936 ( 0.821 -1.998 0.000) 2.160 26.965 ( -0.079 -2.361 0.000) 2.363 27.627 ( 4.687 6.987 0.000) 8.413 27.896 ( 5.381 -7.939 0.000) 9.591 28.424 ( -19.131 3.775 0.000) 19.500 28.533 ( -15.058 -2.190 0.000) 15.216 29.599 ( 2.609 14.887 0.000) 15.114 29.948 ( -4.535 9.859 0.000) 10.852 30.103 ( 11.512 -12.128 0.000) 16.722 30.138 ( 2.564 -1.262 0.000) 2.857 30.652 ( 8.080 2.801 0.000) 8.552 30.864 ( 10.202 -7.568 0.000) 12.703 30.906 ( -1.928 9.176 0.000) 9.376 31.508 ( -4.291 -19.721 0.000) 20.182 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 6.870 20.572 0.000) 21.688 1.774 ( -0.219 17.976 0.000) 17.977 1.969 ( -1.133 17.674 0.000) 17.710 2.141 ( -12.743 14.641 0.000) 19.410 2.357 ( 1.034 -14.746 0.000) 14.782 2.406 ( -4.248 -13.275 0.000) 13.938 2.581 ( 5.176 -10.382 0.000) 11.601 2.683 ( -5.083 -11.043 0.000) 12.157 3.344 ( 13.205 4.302 0.000) 13.888 3.443 ( 9.308 17.150 0.000) 19.513 3.450 ( 9.408 -1.070 0.000) 9.468 3.532 ( -4.289 3.381 0.000) 5.462 3.879 ( -0.942 15.580 0.000) 15.608 3.960 ( -6.593 12.563 0.000) 14.188 4.248 ( -1.998 18.124 0.000) 18.234 4.262 ( -3.691 16.368 0.000) 16.779 4.414 ( 4.533 1.990 0.000) 4.950 4.487 ( -2.052 -1.513 0.000) 2.550 4.520 ( 1.054 0.640 0.000) 1.233 4.544 ( -0.843 1.438 0.000) 1.667 4.599 ( -0.814 -5.168 0.000) 5.231 4.622 ( -3.192 -9.810 0.000) 10.316 4.819 ( 1.378 3.013 0.000) 3.313 4.842 ( -1.183 -0.461 0.000) 1.270 5.213 ( 1.358 3.379 0.000) 3.641 5.228 ( -0.093 -4.108 0.000) 4.109 5.405 ( 2.121 -8.206 0.000) 8.476 5.459 ( -3.699 -5.197 0.000) 6.379 6.009 ( 0.741 10.522 0.000) 10.548 6.072 ( -4.573 7.113 0.000) 8.456 6.267 ( -2.557 -5.142 0.000) 5.743 6.275 ( -3.153 -4.640 0.000) 5.610 6.434 ( 4.915 -4.708 0.000) 6.806 6.506 ( 2.526 -6.295 0.000) 6.783 6.556 ( -6.907 -8.565 0.000) 11.003 6.579 ( -4.418 -10.597 0.000) 11.481 7.346 ( 13.704 1.448 0.000) 13.781 7.551 ( -8.527 4.922 0.000) 9.846 7.607 ( 15.287 -9.611 0.000) 18.057 7.839 ( -9.361 -6.325 0.000) 11.297 8.059 ( 1.395 -0.565 0.000) 1.505 8.081 ( -0.975 3.355 0.000) 3.494 8.129 ( 1.806 -3.116 0.000) 3.601 8.163 ( -1.248 -1.153 0.000) 1.699 8.951 ( 6.357 1.153 0.000) 6.461 9.027 ( 5.085 -1.089 0.000) 5.200 9.041 ( -3.628 1.920 0.000) 4.105 9.150 ( -7.586 -2.527 0.000) 7.996 11.564 ( 3.040 5.166 0.000) 5.995 11.622 ( -3.232 3.793 0.000) 4.983 11.793 ( 0.609 -4.724 0.000) 4.763 11.797 ( 0.076 -6.485 0.000) 6.486 13.320 ( 1.889 7.274 0.000) 7.515 13.358 ( -2.075 8.439 0.000) 8.690 13.598 ( 4.333 -6.601 0.000) 7.896 13.676 ( -3.845 -7.518 0.000) 8.444 15.438 ( 4.360 8.104 0.000) 9.202 15.538 ( -6.424 7.478 0.000) 9.858 15.774 ( 2.867 -8.274 0.000) 8.757 15.824 ( -2.231 -7.152 0.000) 7.492 16.202 ( -0.067 1.445 0.000) 1.446 16.206 ( -0.481 1.997 0.000) 2.054 16.240 ( 1.903 -0.790 0.000) 2.060 16.284 ( -2.657 -2.283 0.000) 3.504 17.474 ( 0.582 2.570 0.000) 2.636 17.483 ( -0.331 1.900 0.000) 1.929 17.549 ( 1.124 -1.706 0.000) 2.043 17.566 ( -0.752 -2.201 0.000) 2.326 26.864 ( 0.390 2.058 0.000) 2.095 26.871 ( -0.308 2.178 0.000) 2.200 26.952 ( 0.743 -2.135 0.000) 2.260 26.961 ( -0.341 -2.258 0.000) 2.284 27.768 ( 11.003 8.407 0.000) 13.846 28.042 ( 10.276 -6.906 0.000) 12.381 28.044 ( -18.946 8.304 0.000) 20.686 28.266 ( -13.720 -4.603 0.000) 14.471 29.713 ( 7.664 15.940 0.000) 17.687 29.846 ( -6.519 13.230 0.000) 14.749 30.181 ( 1.924 -4.089 0.000) 4.519 30.197 ( 0.805 -7.854 0.000) 7.895 30.774 ( 5.130 3.236 0.000) 6.066 30.854 ( -3.635 6.653 0.000) 7.581 31.137 ( 15.990 -16.141 0.000) 22.721 31.379 ( -9.939 -19.444 0.000) 21.837 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 0.000 -20.664 0.000) 20.664 2.018 ( 0.000 20.664 0.000) 20.664 2.057 ( 0.000 -22.454 0.000) 22.454 2.057 ( 0.000 22.454 0.000) 22.454 2.607 ( 0.000 -8.809 0.000) 8.809 2.607 ( 0.000 8.809 0.000) 8.809 2.616 ( 0.000 -4.953 0.000) 4.953 2.616 ( 0.000 4.953 0.000) 4.953 2.887 ( 0.000 -10.328 0.000) 10.328 2.887 ( 0.000 10.328 0.000) 10.328 3.491 ( 0.000 -10.559 0.000) 10.559 3.491 ( 0.000 10.559 0.000) 10.559 4.118 ( 0.000 -0.301 0.000) 0.301 4.118 ( 0.000 0.301 0.000) 0.301 4.300 ( 0.000 -18.165 0.000) 18.165 4.300 ( 0.000 18.165 0.000) 18.165 4.455 ( 0.000 -1.705 0.000) 1.705 4.455 ( 0.000 1.705 0.000) 1.705 4.613 ( 0.000 -0.382 0.000) 0.382 4.613 ( 0.000 0.382 0.000) 0.382 4.750 ( 0.000 -3.990 0.000) 3.990 4.750 ( 0.000 3.990 0.000) 3.990 4.753 ( 0.000 -6.505 0.000) 6.505 4.753 ( 0.000 6.505 0.000) 6.505 5.186 ( 0.000 -7.706 0.000) 7.706 5.186 ( 0.000 7.706 0.000) 7.706 5.410 ( 0.000 -11.298 0.000) 11.298 5.410 ( 0.000 11.298 0.000) 11.298 6.234 ( 0.000 -1.347 0.000) 1.347 6.234 ( 0.000 1.347 0.000) 1.347 6.276 ( 0.000 -4.821 0.000) 4.821 6.276 ( 0.000 4.821 0.000) 4.821 6.615 ( 0.000 -5.931 0.000) 5.931 6.615 ( 0.000 5.931 0.000) 5.931 6.689 ( 0.000 -1.442 0.000) 1.442 6.689 ( 0.000 1.442 0.000) 1.442 6.811 ( 0.000 -8.303 0.000) 8.303 6.811 ( 0.000 8.303 0.000) 8.303 7.883 ( 0.000 -2.807 0.000) 2.807 7.883 ( 0.000 2.807 0.000) 2.807 7.976 ( 0.000 -9.729 0.000) 9.729 7.976 ( 0.000 9.729 0.000) 9.729 8.159 ( 0.000 -2.115 0.000) 2.115 8.159 ( 0.000 2.115 0.000) 2.115 8.867 ( 0.000 -4.172 0.000) 4.172 8.867 ( 0.000 4.172 0.000) 4.172 9.209 ( 0.000 -5.639 0.000) 5.639 9.209 ( 0.000 5.639 0.000) 5.639 11.637 ( 0.000 -7.852 0.000) 7.852 11.637 ( 0.000 7.852 0.000) 7.852 11.732 ( 0.000 -0.327 0.000) 0.327 11.732 ( 0.000 0.327 0.000) 0.327 13.392 ( 0.000 -5.725 0.000) 5.725 13.392 ( 0.000 5.725 0.000) 5.725 13.580 ( 0.000 -9.238 0.000) 9.238 13.580 ( 0.000 9.238 0.000) 9.238 15.526 ( 0.000 -9.656 0.000) 9.656 15.526 ( 0.000 9.656 0.000) 9.656 15.781 ( 0.000 -1.338 0.000) 1.338 15.781 ( 0.000 1.338 0.000) 1.338 16.224 ( 0.000 -0.074 0.000) 0.074 16.224 ( 0.000 0.074 0.000) 0.074 16.284 ( 0.000 -3.263 0.000) 3.263 16.284 ( 0.000 3.263 0.000) 3.263 17.507 ( 0.000 -0.737 0.000) 0.737 17.507 ( 0.000 0.737 0.000) 0.737 17.524 ( 0.000 -3.226 0.000) 3.226 17.524 ( 0.000 3.226 0.000) 3.226 26.890 ( 0.000 -1.933 0.000) 1.933 26.890 ( 0.000 1.933 0.000) 1.933 26.918 ( 0.000 -2.440 0.000) 2.440 26.918 ( 0.000 2.440 0.000) 2.440 27.707 ( 0.000 -6.572 0.000) 6.572 27.707 ( 0.000 6.572 0.000) 6.572 28.660 ( 0.000 -2.717 0.000) 2.717 28.660 ( 0.000 2.717 0.000) 2.717 29.761 ( 0.000 -4.417 0.000) 4.417 29.761 ( 0.000 4.417 0.000) 4.417 30.090 ( 0.000 -2.085 0.000) 2.085 30.090 ( 0.000 2.085 0.000) 2.085 30.674 ( 0.000 -5.833 0.000) 5.833 30.674 ( 0.000 5.833 0.000) 5.833 31.189 ( 0.000 -16.954 0.000) 16.954 31.189 ( 0.000 16.954 0.000) 16.954 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -0.474 -20.506 0.000) 20.512 2.009 ( -0.474 20.506 0.000) 20.512 2.093 ( 3.408 -21.023 0.000) 21.298 2.093 ( 3.408 21.023 0.000) 21.298 2.427 ( -12.290 -10.697 0.000) 16.294 2.427 ( -12.290 10.697 0.000) 16.294 2.557 ( -5.270 -10.693 0.000) 11.921 2.557 ( -5.270 10.693 0.000) 11.921 3.115 ( 16.926 -5.541 0.000) 17.810 3.115 ( 16.926 5.541 0.000) 17.810 3.548 ( 4.734 -6.876 0.000) 8.348 3.548 ( 4.734 6.876 0.000) 8.348 4.146 ( 2.770 -5.783 0.000) 6.412 4.146 ( 2.770 5.783 0.000) 6.412 4.268 ( -2.823 -18.584 0.000) 18.797 4.268 ( -2.823 18.584 0.000) 18.797 4.476 ( 1.891 -2.615 0.000) 3.227 4.476 ( 1.891 2.615 0.000) 3.227 4.596 ( -1.739 -1.459 0.000) 2.270 4.596 ( -1.739 1.459 0.000) 2.270 4.729 ( -2.259 -7.843 0.000) 8.162 4.729 ( -2.259 7.843 0.000) 8.162 4.734 ( -2.020 -9.748 0.000) 9.955 4.734 ( -2.020 9.748 0.000) 9.955 5.204 ( 2.075 -7.071 0.000) 7.369 5.204 ( 2.075 7.071 0.000) 7.369 5.390 ( -2.184 -10.109 0.000) 10.343 5.390 ( -2.184 10.109 0.000) 10.343 6.223 ( -1.232 -4.680 0.000) 4.840 6.223 ( -1.232 4.680 0.000) 4.840 6.237 ( -4.093 -5.805 0.000) 7.103 6.237 ( -4.093 5.805 0.000) 7.103 6.492 ( -8.068 -6.364 0.000) 10.276 6.492 ( -8.068 6.364 0.000) 10.276 6.551 ( -5.880 -5.579 0.000) 8.105 6.551 ( -5.880 5.579 0.000) 8.105 7.110 ( 19.052 -6.653 0.000) 20.181 7.110 ( 19.052 6.653 0.000) 20.181 7.840 ( -5.465 -8.983 0.000) 10.514 7.840 ( -5.465 8.983 0.000) 10.514 8.004 ( 3.444 -5.130 0.000) 6.179 8.004 ( 3.444 5.130 0.000) 6.179 8.155 ( -0.511 -2.108 0.000) 2.169 8.155 ( -0.511 2.108 0.000) 2.169 8.902 ( 3.592 -3.446 0.000) 4.978 8.902 ( 3.592 3.446 0.000) 4.978 9.176 ( -3.443 -4.838 0.000) 5.938 9.176 ( -3.443 4.838 0.000) 5.938 11.648 ( 1.097 -7.395 0.000) 7.476 11.648 ( 1.097 7.395 0.000) 7.476 11.724 ( -0.826 -2.456 0.000) 2.591 11.724 ( -0.826 2.456 0.000) 2.591 13.412 ( 2.061 -6.271 0.000) 6.601 13.412 ( 2.061 6.271 0.000) 6.601 13.565 ( -1.665 -9.059 0.000) 9.211 13.565 ( -1.665 9.059 0.000) 9.211 15.548 ( 2.279 -9.555 0.000) 9.823 15.548 ( 2.279 9.555 0.000) 9.823 15.752 ( -2.986 -4.510 0.000) 5.409 15.752 ( -2.986 4.510 0.000) 5.409 16.222 ( -0.113 -0.257 0.000) 0.281 16.222 ( -0.113 0.257 0.000) 0.281 16.271 ( -1.283 -2.895 0.000) 3.167 16.271 ( -1.283 2.895 0.000) 3.167 17.510 ( 0.336 -1.039 0.000) 1.092 17.510 ( 0.336 1.039 0.000) 1.092 17.524 ( -0.014 -3.002 0.000) 3.002 17.524 ( -0.014 3.002 0.000) 3.002 26.896 ( 0.586 -2.144 0.000) 2.223 26.896 ( 0.586 2.144 0.000) 2.223 26.918 ( -0.037 -2.443 0.000) 2.444 26.918 ( -0.037 2.443 0.000) 2.444 27.757 ( 5.485 -6.781 0.000) 8.722 27.757 ( 5.485 6.781 0.000) 8.722 28.485 ( -16.029 -2.766 0.000) 16.266 28.485 ( -16.029 2.766 0.000) 16.266 29.862 ( 8.319 -12.944 0.000) 15.387 29.862 ( 8.319 12.944 0.000) 15.387 30.083 ( -0.777 -4.612 0.000) 4.677 30.083 ( -0.777 4.612 0.000) 4.677 30.738 ( 6.680 -5.682 0.000) 8.770 30.738 ( 6.680 5.682 0.000) 8.770 31.156 ( -3.643 -16.346 0.000) 16.747 31.156 ( -3.643 16.346 0.000) 16.747 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 3.058 -18.823 0.000) 19.069 2.028 ( 3.058 18.823 0.000) 19.069 2.111 ( -4.028 -16.751 0.000) 17.229 2.111 ( -4.028 16.751 0.000) 17.229 2.312 ( 2.498 -16.865 0.000) 17.049 2.312 ( 2.498 16.865 0.000) 17.049 2.430 ( -7.821 -14.597 0.000) 16.560 2.430 ( -7.821 14.597 0.000) 16.560 3.411 ( 13.947 -2.886 0.000) 14.242 3.411 ( 13.947 2.886 0.000) 14.242 3.580 ( -3.321 -0.269 0.000) 3.332 3.580 ( -3.321 0.269 0.000) 3.332 4.200 ( 2.414 -11.718 0.000) 11.964 4.200 ( 2.414 11.718 0.000) 11.964 4.227 ( -1.232 -17.865 0.000) 17.907 4.227 ( -1.232 17.865 0.000) 17.907 4.515 ( 2.193 -2.826 0.000) 3.577 4.515 ( 2.193 2.826 0.000) 3.577 4.556 ( -2.377 -0.692 0.000) 2.475 4.556 ( -2.377 0.692 0.000) 2.475 4.684 ( -1.697 -13.362 0.000) 13.469 4.684 ( -1.697 13.362 0.000) 13.469 4.690 ( -2.088 -14.825 0.000) 14.971 4.690 ( -2.088 14.825 0.000) 14.971 5.261 ( 3.835 -6.491 0.000) 7.539 5.261 ( 3.835 6.491 0.000) 7.539 5.334 ( -3.756 -7.674 0.000) 8.544 5.334 ( -3.756 7.674 0.000) 8.544 6.172 ( -1.456 -5.927 0.000) 6.103 6.172 ( -1.456 5.927 0.000) 6.103 6.188 ( -2.264 -5.150 0.000) 5.626 6.188 ( -2.264 5.150 0.000) 5.626 6.423 ( -0.670 -4.497 0.000) 4.547 6.423 ( -0.670 4.497 0.000) 4.547 6.451 ( -3.858 -2.208 0.000) 4.445 6.451 ( -3.858 2.208 0.000) 4.445 7.435 ( 15.851 -7.488 0.000) 17.531 7.435 ( 15.851 7.488 0.000) 17.531 7.685 ( -11.167 -8.443 0.000) 13.999 7.685 ( -11.167 8.443 0.000) 13.999 8.079 ( 3.938 -2.075 0.000) 4.452 8.079 ( 3.938 2.075 0.000) 4.452 8.134 ( -1.949 -2.073 0.000) 2.845 8.134 ( -1.949 2.073 0.000) 2.845 8.988 ( 5.454 -2.407 0.000) 5.961 8.988 ( 5.454 2.407 0.000) 5.961 9.091 ( -5.423 -3.128 0.000) 6.260 9.091 ( -5.423 3.128 0.000) 6.260 11.674 ( 1.602 -6.212 0.000) 6.416 11.674 ( 1.602 6.212 0.000) 6.416 11.703 ( -1.437 -4.549 0.000) 4.770 11.703 ( -1.437 4.549 0.000) 4.770 13.462 ( 3.211 -7.412 0.000) 8.078 13.462 ( 3.211 7.412 0.000) 8.078 13.521 ( -2.976 -8.450 0.000) 8.958 13.521 ( -2.976 8.450 0.000) 8.958 15.606 ( 3.861 -9.047 0.000) 9.836 15.606 ( 3.861 9.047 0.000) 9.836 15.682 ( -4.260 -7.534 0.000) 8.655 15.682 ( -4.260 7.534 0.000) 8.655 16.225 ( 0.549 -0.917 0.000) 1.069 16.225 ( 0.549 0.917 0.000) 1.069 16.244 ( -1.421 -1.957 0.000) 2.419 16.244 ( -1.421 1.957 0.000) 2.419 17.517 ( 0.367 -1.682 0.000) 1.722 17.517 ( 0.367 1.682 0.000) 1.722 17.522 ( -0.173 -2.417 0.000) 2.423 17.522 ( -0.173 2.417 0.000) 2.423 26.907 ( 0.608 -2.390 0.000) 2.466 26.907 ( 0.608 2.390 0.000) 2.466 26.916 ( -0.273 -2.449 0.000) 2.465 26.916 ( -0.273 2.449 0.000) 2.465 27.912 ( 11.358 -6.864 0.000) 13.271 27.912 ( 11.358 6.864 0.000) 13.271 28.171 ( -16.448 -5.465 0.000) 17.332 28.171 ( -16.448 5.465 0.000) 17.332 29.992 ( 5.207 -12.979 0.000) 13.985 29.992 ( 5.207 12.979 0.000) 13.985 30.058 ( -2.211 -8.772 0.000) 9.047 30.058 ( -2.211 8.772 0.000) 9.047 30.895 ( 9.432 -9.376 0.000) 13.299 30.895 ( 9.432 9.376 0.000) 13.299 31.054 ( -7.318 -14.043 0.000) 15.836 31.054 ( -7.318 14.043 0.000) 15.836 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 0.000 28.099) 28.099 0.656 ( 0.000 0.000 32.395) 32.395 1.091 ( 0.000 0.000 53.269) 53.269 1.898 ( 0.000 0.000 -1.065) 1.065 2.090 ( 0.000 0.000 2.260) 2.260 2.188 ( 0.000 0.000 -3.463) 3.463 2.975 ( 0.000 0.000 -3.816) 3.816 3.017 ( 0.000 0.000 -2.781) 2.781 3.053 ( 0.000 0.000 -4.930) 4.930 3.122 ( 0.000 0.000 -10.189) 10.189 3.314 ( 0.000 0.000 -13.611) 13.611 3.314 ( 0.000 0.000 0.974) 0.974 3.427 ( 0.000 0.000 2.500) 2.500 3.578 ( 0.000 0.000 7.835) 7.835 3.758 ( 0.000 0.000 -7.874) 7.874 4.123 ( 0.000 0.000 22.028) 22.028 4.158 ( 0.000 0.000 3.688) 3.688 4.211 ( 0.000 0.000 12.141) 12.141 4.246 ( 0.000 0.000 8.201) 8.201 4.382 ( 0.000 0.000 7.674) 7.674 4.698 ( 0.000 0.000 -0.042) 0.042 4.858 ( 0.000 0.000 -13.213) 13.213 4.922 ( 0.000 0.000 -1.127) 1.127 5.059 ( 0.000 0.000 -9.042) 9.042 5.113 ( 0.000 0.000 3.825) 3.825 5.434 ( 0.000 0.000 -3.555) 3.555 5.505 ( 0.000 0.000 -0.314) 0.314 5.619 ( 0.000 0.000 -5.797) 5.797 5.712 ( 0.000 0.000 3.622) 3.622 5.988 ( 0.000 0.000 2.460) 2.460 6.176 ( 0.000 0.000 1.677) 1.677 6.206 ( 0.000 0.000 -11.049) 11.049 6.745 ( 0.000 0.000 -4.114) 4.114 6.846 ( 0.000 0.000 -3.056) 3.056 7.144 ( 0.000 0.000 -7.692) 7.692 7.281 ( 0.000 0.000 -1.297) 1.297 7.282 ( 0.000 0.000 -4.593) 4.593 7.481 ( 0.000 0.000 -0.709) 0.709 7.644 ( 0.000 0.000 8.283) 8.283 7.763 ( 0.000 0.000 2.341) 2.341 7.851 ( 0.000 0.000 -7.149) 7.149 8.106 ( 0.000 0.000 -10.735) 10.735 8.262 ( 0.000 0.000 2.758) 2.758 8.329 ( 0.000 0.000 -7.324) 7.324 8.638 ( 0.000 0.000 -4.740) 4.740 8.764 ( 0.000 0.000 1.152) 1.152 9.006 ( 0.000 0.000 6.375) 6.375 9.989 ( 0.000 0.000 -6.833) 6.833 11.310 ( 0.000 0.000 3.329) 3.329 11.684 ( 0.000 0.000 -0.035) 0.035 11.810 ( 0.000 0.000 3.766) 3.766 12.085 ( 0.000 0.000 1.598) 1.598 13.114 ( 0.000 0.000 5.723) 5.723 13.144 ( 0.000 0.000 2.618) 2.618 13.789 ( 0.000 0.000 4.199) 4.199 14.046 ( 0.000 0.000 2.485) 2.485 15.202 ( 0.000 0.000 -0.078) 0.078 15.215 ( 0.000 0.000 -0.077) 0.077 15.950 ( 0.000 0.000 -0.528) 0.528 16.045 ( 0.000 0.000 -0.648) 0.648 16.064 ( 0.000 0.000 -0.810) 0.810 16.070 ( 0.000 0.000 -1.491) 1.491 16.143 ( 0.000 0.000 0.475) 0.475 16.383 ( 0.000 0.000 -7.573) 7.573 17.403 ( 0.000 0.000 -2.104) 2.104 17.511 ( 0.000 0.000 -0.555) 0.555 17.670 ( 0.000 0.000 2.193) 2.193 17.985 ( 0.000 0.000 0.396) 0.396 26.827 ( 0.000 0.000 0.809) 0.809 26.890 ( 0.000 0.000 -0.567) 0.567 26.994 ( 0.000 0.000 -0.005) 0.005 27.047 ( 0.000 0.000 0.020) 0.020 27.151 ( 0.000 0.000 2.943) 2.943 27.296 ( 0.000 0.000 2.648) 2.648 28.306 ( 0.000 0.000 -3.128) 3.128 28.478 ( 0.000 0.000 -3.733) 3.733 28.869 ( 0.000 0.000 1.744) 1.744 29.282 ( 0.000 0.000 -2.473) 2.473 29.575 ( 0.000 0.000 2.210) 2.210 30.404 ( 0.000 0.000 4.332) 4.332 30.849 ( 0.000 0.000 5.181) 5.181 31.075 ( 0.000 0.000 10.302) 10.302 31.836 ( 0.000 0.000 -6.621) 6.621 32.754 ( 0.000 0.000 -4.948) 4.948 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 18.258 0.000 19.787) 26.924 0.799 ( 16.808 0.000 22.239) 27.876 1.437 ( 28.264 0.000 36.872) 46.458 1.768 ( -11.688 0.000 2.436) 11.940 2.066 ( -9.872 0.000 0.282) 9.876 2.205 ( 9.892 0.000 -0.841) 9.928 2.879 ( -11.672 0.000 -6.600) 13.408 2.971 ( -2.213 0.000 -2.011) 2.990 3.000 ( 0.005 0.000 -3.515) 3.516 3.202 ( -9.871 0.000 -8.299) 12.896 3.256 ( 6.800 0.000 -8.305) 10.733 3.320 ( 0.823 0.000 -0.080) 0.827 3.491 ( 2.141 0.000 -1.314) 2.512 3.691 ( 5.764 0.000 6.066) 8.368 3.744 ( -0.777 0.000 -4.222) 4.293 3.886 ( -8.274 0.000 20.009) 21.652 4.023 ( -8.948 0.000 7.749) 11.836 4.278 ( 6.369 0.000 5.823) 8.630 4.362 ( 6.889 0.000 7.885) 10.471 4.458 ( -5.802 0.000 9.881) 11.458 4.655 ( 7.116 0.000 4.979) 8.685 4.854 ( -0.332 0.000 -12.902) 12.907 5.014 ( -4.447 0.000 -8.770) 9.833 5.043 ( -1.281 0.000 -0.094) 1.285 5.137 ( 5.933 0.000 -1.104) 6.034 5.391 ( -4.004 0.000 -2.088) 4.516 5.517 ( 0.864 0.000 -1.738) 1.941 5.589 ( -2.591 0.000 -4.846) 5.495 5.745 ( 3.292 0.000 3.582) 4.865 5.968 ( -2.219 0.000 2.514) 3.353 6.111 ( -1.178 0.000 -5.506) 5.631 6.217 ( -1.717 0.000 -11.535) 11.662 6.706 ( 1.489 0.000 -0.355) 1.531 6.919 ( 0.575 0.000 2.230) 2.303 7.129 ( 0.183 0.000 -9.423) 9.425 7.293 ( 1.261 0.000 -1.311) 1.819 7.425 ( -1.226 0.000 -10.200) 10.274 7.446 ( -3.223 0.000 -1.068) 3.395 7.769 ( 13.551 0.000 2.200) 13.729 7.850 ( 9.546 0.000 -6.374) 11.478 7.902 ( 5.012 0.000 -6.275) 8.031 8.108 ( 1.472 0.000 -9.338) 9.453 8.223 ( -3.940 0.000 1.054) 4.078 8.377 ( 3.277 0.000 -9.648) 10.190 8.658 ( 1.929 0.000 -3.362) 3.876 8.757 ( -0.822 0.000 0.954) 1.259 9.018 ( 1.580 0.000 5.697) 5.912 9.606 ( -26.198 0.000 11.861) 28.758 11.333 ( 2.506 0.000 3.192) 4.058 11.608 ( -5.983 0.000 1.357) 6.135 11.877 ( 5.067 0.000 2.477) 5.641 12.072 ( -1.427 0.000 1.610) 2.151 13.117 ( 0.490 0.000 5.808) 5.828 13.176 ( 0.754 0.000 4.737) 4.797 13.776 ( 1.363 0.000 5.032) 5.213 14.029 ( -2.676 0.000 2.360) 3.568 15.204 ( 0.133 0.000 -0.081) 0.156 15.214 ( -0.130 0.000 -0.081) 0.153 16.032 ( 2.762 0.000 -3.877) 4.761 16.046 ( 0.196 0.000 -0.660) 0.688 16.062 ( -0.195 0.000 -0.791) 0.814 16.126 ( -0.023 0.000 -1.816) 1.816 16.137 ( 5.948 0.000 -6.182) 8.579 16.374 ( -1.111 0.000 -7.334) 7.418 17.401 ( -0.264 0.000 -1.723) 1.743 17.462 ( -3.973 0.000 2.671) 4.788 17.675 ( 0.622 0.000 2.338) 2.419 17.825 ( -8.441 0.000 6.873) 10.886 26.841 ( 0.907 0.000 -0.054) 0.909 26.882 ( -0.699 0.000 -0.483) 0.849 27.002 ( 0.761 0.000 -0.049) 0.763 27.043 ( -0.386 0.000 -0.044) 0.389 27.164 ( 1.329 0.000 2.913) 3.201 27.280 ( -1.586 0.000 2.672) 3.108 28.324 ( 1.840 0.000 -3.181) 3.674 28.462 ( -1.632 0.000 -3.672) 4.018 28.897 ( 3.777 0.000 1.216) 3.968 29.270 ( -4.632 0.000 0.659) 4.679 29.876 ( 20.834 0.000 -11.924) 24.005 30.393 ( -1.690 0.000 4.173) 4.502 30.835 ( -1.015 0.000 4.785) 4.892 30.971 ( -6.626 0.000 8.600) 10.856 32.005 ( 12.291 0.000 -9.493) 15.530 32.583 ( -12.665 0.000 3.248) 13.075 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 20.921 0.000 11.337) 23.795 1.192 ( 23.417 0.000 8.150) 24.795 1.496 ( -17.598 0.000 6.306) 18.694 1.586 ( -16.385 0.000 3.778) 16.815 2.241 ( 31.629 0.000 21.567) 38.282 2.416 ( 12.615 0.000 -3.426) 13.072 2.653 ( -12.780 0.000 -5.413) 13.879 2.822 ( -26.108 0.000 6.406) 26.883 2.960 ( 0.532 0.000 -1.169) 1.285 3.001 ( -4.274 0.000 0.852) 4.358 3.329 ( 1.935 0.000 -5.413) 5.749 3.345 ( 0.750 0.000 -5.577) 5.627 3.536 ( 3.829 0.000 -1.337) 4.056 3.621 ( -5.214 0.000 1.651) 5.469 3.764 ( 3.493 0.000 2.469) 4.277 3.869 ( -7.452 0.000 6.434) 9.846 4.035 ( 13.887 0.000 9.358) 16.746 4.279 ( -11.972 0.000 7.434) 14.093 4.402 ( 5.726 0.000 4.647) 7.374 4.446 ( 1.431 0.000 6.200) 6.363 4.816 ( 8.426 0.000 5.938) 10.308 4.858 ( 1.447 0.000 -11.709) 11.798 4.921 ( -4.948 0.000 -9.625) 10.823 4.955 ( -6.561 0.000 3.951) 7.658 5.233 ( 4.287 0.000 -0.316) 4.299 5.311 ( -4.389 0.000 -0.145) 4.391 5.528 ( 0.455 0.000 -3.130) 3.163 5.546 ( -1.730 0.000 -3.830) 4.202 5.823 ( 4.806 0.000 3.396) 5.884 5.908 ( -4.137 0.000 2.827) 5.011 6.124 ( 1.986 0.000 -12.065) 12.228 6.171 ( -2.826 0.000 -13.146) 13.446 6.772 ( 4.948 0.000 4.590) 6.749 6.869 ( -5.016 0.000 6.090) 7.890 7.189 ( 6.077 0.000 -10.489) 12.123 7.321 ( -7.416 0.000 -8.809) 11.514 7.327 ( 2.461 0.000 -1.344) 2.804 7.382 ( -3.404 0.000 -1.328) 3.654 7.912 ( 5.151 0.000 1.381) 5.333 7.971 ( -0.317 0.000 -5.707) 5.716 8.012 ( 6.479 0.000 -4.472) 7.873 8.129 ( -5.985 0.000 -1.952) 6.296 8.235 ( 10.612 0.000 -10.500) 14.929 8.380 ( -3.947 0.000 -9.761) 10.529 8.698 ( 2.216 0.000 -1.198) 2.519 8.734 ( -1.632 0.000 0.249) 1.650 9.079 ( 5.502 0.000 5.156) 7.541 9.244 ( -13.387 0.000 9.070) 16.170 11.399 ( 4.569 0.000 2.808) 5.363 11.497 ( -5.871 0.000 2.223) 6.278 11.966 ( 4.312 0.000 1.892) 4.709 12.032 ( -2.909 0.000 1.677) 3.357 13.133 ( 1.276 0.000 6.486) 6.610 13.161 ( -1.624 0.000 6.888) 7.077 13.847 ( 5.422 0.000 3.475) 6.440 13.951 ( -5.404 0.000 2.952) 6.158 15.207 ( 0.214 0.000 -0.087) 0.231 15.211 ( -0.213 0.000 -0.086) 0.229 16.051 ( 0.317 0.000 -0.693) 0.762 16.057 ( -0.316 0.000 -0.743) 0.808 16.064 ( 1.548 0.000 -2.018) 2.543 16.096 ( -1.833 0.000 -1.223) 2.204 16.258 ( 5.368 0.000 -9.078) 10.547 16.336 ( -3.132 0.000 -7.565) 8.187 17.397 ( 0.070 0.000 -0.395) 0.401 17.410 ( -1.518 0.000 1.507) 2.139 17.694 ( 1.448 0.000 2.681) 3.047 17.732 ( -2.916 0.000 3.828) 4.813 26.855 ( 0.672 0.000 -0.120) 0.683 26.868 ( -0.735 0.000 -0.298) 0.793 27.018 ( 0.916 0.000 -0.137) 0.926 27.033 ( -0.705 0.000 -0.141) 0.719 27.198 ( 2.253 0.000 2.835) 3.621 27.242 ( -2.409 0.000 2.742) 3.650 28.368 ( 2.844 0.000 -3.325) 4.375 28.421 ( -2.719 0.000 -3.513) 4.442 29.001 ( 7.200 0.000 1.121) 7.287 29.145 ( -7.975 0.000 1.456) 8.106 30.167 ( 11.471 0.000 -3.918) 12.122 30.324 ( -5.989 0.000 2.590) 6.525 30.835 ( 1.318 0.000 2.958) 3.239 30.881 ( -3.544 0.000 3.844) 5.229 32.205 ( 9.607 0.000 -4.930) 10.798 32.378 ( -9.749 0.000 1.058) 9.806 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.000 17.223 22.953) 28.696 0.842 ( 0.000 17.181 23.867) 29.408 1.485 ( 0.000 36.606 34.739) 50.466 2.000 ( 0.000 10.060 0.288) 10.064 2.134 ( 0.000 4.414 -3.831) 5.844 2.255 ( 0.000 7.300 2.774) 7.809 2.886 ( 0.000 -8.145 -2.719) 8.586 2.888 ( 0.000 -7.999 -3.943) 8.918 3.031 ( 0.000 -3.223 -3.759) 4.952 3.194 ( 0.000 -4.826 -2.933) 5.647 3.277 ( 0.000 9.866 -9.869) 13.955 3.436 ( 0.000 1.158 3.839) 4.010 3.470 ( 0.000 7.151 -2.269) 7.502 3.644 ( 0.000 8.099 3.065) 8.660 3.865 ( 0.000 8.855 -4.798) 10.072 4.072 ( 0.000 2.248 9.452) 9.715 4.102 ( 0.000 -1.944 1.649) 2.549 4.288 ( 0.000 3.270 5.893) 6.740 4.409 ( 0.000 13.549 14.825) 20.084 4.497 ( 0.000 7.114 5.991) 9.300 4.698 ( 0.000 1.924 0.938) 2.140 4.822 ( 0.000 -13.570 -8.127) 15.817 4.839 ( 0.000 -3.616 -7.285) 8.133 4.920 ( 0.000 -5.060 -0.452) 5.080 5.270 ( 0.000 4.776 -4.292) 6.421 5.434 ( 0.000 -2.621 0.734) 2.722 5.504 ( 0.000 2.692 -1.504) 3.084 5.704 ( 0.000 1.831 -5.361) 5.665 5.745 ( 0.000 9.359 -7.666) 12.098 5.893 ( 0.000 -6.476 2.731) 7.028 6.218 ( 0.000 3.292 1.770) 3.737 6.325 ( 0.000 7.872 -6.487) 10.200 6.737 ( 0.000 -0.919 -3.691) 3.804 6.800 ( 0.000 -5.155 -5.947) 7.870 6.975 ( 0.000 -11.582 -0.595) 11.598 7.010 ( 0.000 -17.237 8.845) 19.374 7.297 ( 0.000 -14.326 -2.551) 14.552 7.396 ( 0.000 6.992 -4.133) 8.122 7.563 ( 0.000 -7.935 7.000) 10.581 7.856 ( 0.000 5.702 0.820) 5.760 7.949 ( 0.000 5.861 -11.756) 13.136 8.080 ( 0.000 -1.540 -1.856) 2.412 8.150 ( 0.000 -9.463 -1.066) 9.523 8.381 ( 0.000 10.278 -3.069) 10.726 8.620 ( 0.000 -4.691 -2.004) 5.101 8.854 ( 0.000 3.753 -8.598) 9.381 9.016 ( 0.000 0.902 4.856) 4.939 9.759 ( 0.000 -14.101 5.041) 14.975 11.336 ( 0.000 2.704 3.275) 4.247 11.710 ( 0.000 1.698 0.656) 1.820 11.805 ( 0.000 -0.442 3.825) 3.851 12.069 ( 0.000 -3.249 1.296) 3.498 13.160 ( 0.000 4.653 5.194) 6.973 13.165 ( 0.000 2.200 2.805) 3.565 13.729 ( 0.000 -4.144 5.894) 7.205 14.012 ( 0.000 -3.475 2.449) 4.251 15.208 ( 0.000 0.851 -0.011) 0.851 15.458 ( 0.000 13.651 -13.616) 19.281 15.914 ( 0.000 -2.864 -0.357) 2.887 15.975 ( 0.000 -4.432 -0.873) 4.517 16.100 ( 0.000 2.902 -1.068) 3.092 16.124 ( 0.000 2.477 -0.562) 2.540 16.149 ( 0.000 0.819 -0.025) 0.819 16.373 ( 0.000 -0.980 -7.063) 7.130 17.410 ( 0.000 0.597 -1.847) 1.941 17.510 ( 0.000 -0.131 -0.633) 0.646 17.658 ( 0.000 -16.341 14.610) 21.920 17.664 ( 0.000 -0.676 2.110) 2.216 26.832 ( 0.000 0.552 0.741) 0.924 26.868 ( 0.000 -1.457 -0.323) 1.492 26.985 ( 0.000 -0.827 0.089) 0.832 27.035 ( 0.000 -1.044 -0.105) 1.050 27.354 ( 0.000 5.591 2.234) 6.021 28.104 ( 0.000 54.646 -49.022) 73.412 28.206 ( 0.000 -8.838 -1.896) 9.039 28.495 ( 0.000 1.637 -3.637) 3.989 28.884 ( 0.000 2.791 0.640) 2.863 29.413 ( 0.000 10.701 -4.441) 11.586 29.601 ( 0.000 3.745 2.736) 4.638 30.417 ( 0.000 1.315 4.298) 4.495 30.849 ( 0.000 0.195 5.565) 5.569 31.047 ( 0.000 -2.862 9.910) 10.315 31.490 ( 0.000 -30.528 21.278) 37.212 32.309 ( 0.000 -24.508 8.750) 26.023 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 9.469 14.741 21.086) 27.415 0.980 ( 16.283 13.948 18.320) 28.201 1.732 ( 15.964 25.566 20.723) 36.577 1.859 ( -9.668 9.993 5.895) 15.102 2.101 ( -4.074 5.833 0.846) 7.165 2.315 ( 8.162 9.286 1.557) 12.461 2.843 ( -3.507 -5.732 -4.429) 8.048 2.904 ( -0.040 -7.789 -2.290) 8.119 2.992 ( -5.743 1.929 -2.246) 6.462 3.139 ( -4.014 -2.090 -6.201) 7.676 3.291 ( 2.021 0.243 -3.980) 4.471 3.423 ( 2.345 10.035 -4.845) 11.387 3.564 ( 4.246 3.965 -0.190) 5.812 3.673 ( 2.195 3.196 4.120) 5.658 3.866 ( -0.927 7.924 -2.543) 8.373 3.881 ( -14.422 4.942 15.580) 21.798 4.116 ( -0.957 5.044 0.285) 5.142 4.256 ( 0.726 0.465 6.146) 6.206 4.454 ( 4.209 8.747 8.027) 12.596 4.554 ( -2.091 7.017 8.611) 11.303 4.639 ( 1.539 -2.185 1.537) 3.083 4.761 ( -1.507 -5.848 -4.676) 7.638 4.903 ( 3.428 -6.904 -5.228) 9.314 5.044 ( 6.023 -5.667 -4.275) 9.309 5.221 ( -3.660 4.125 -1.907) 5.835 5.378 ( -4.744 1.492 1.455) 5.182 5.536 ( 1.806 -0.645 -3.359) 3.868 5.676 ( -0.761 -0.403 -0.670) 1.091 5.714 ( -3.361 9.020 -6.558) 11.648 5.859 ( -3.601 -7.616 2.679) 8.840 6.194 ( -0.522 5.288 -3.605) 6.421 6.292 ( -2.248 5.006 -8.752) 10.330 6.687 ( 1.260 -1.973 0.266) 2.356 6.881 ( -0.575 -4.374 3.743) 5.786 6.928 ( 1.134 -15.344 -5.541) 16.353 7.187 ( 1.837 -16.794 -2.633) 17.098 7.318 ( 6.054 -11.887 -3.227) 13.724 7.399 ( 0.599 6.463 -4.092) 7.673 7.691 ( 12.063 -7.723 2.583) 14.554 7.873 ( 2.021 2.337 -0.979) 3.242 7.942 ( 0.062 2.902 -11.060) 11.435 8.087 ( 1.537 -1.160 0.511) 1.992 8.205 ( 3.858 -8.074 -3.864) 9.747 8.329 ( -4.457 6.236 -1.704) 7.853 8.668 ( 4.298 -0.462 -3.472) 5.544 8.848 ( -0.764 3.935 -8.713) 9.591 9.029 ( 1.613 0.928 4.935) 5.274 9.553 ( -17.374 -4.786 8.214) 19.805 11.367 ( 2.945 3.015 2.927) 5.132 11.633 ( -5.778 2.067 1.911) 6.427 11.871 ( 4.691 -0.744 2.575) 5.403 12.052 ( -1.631 -2.860 1.592) 3.657 13.153 ( 0.075 3.657 5.076) 6.256 13.186 ( 0.627 1.881 4.993) 5.373 13.745 ( 2.400 -2.954 4.811) 6.134 13.992 ( -2.510 -3.643 2.511) 5.086 15.213 ( 0.530 1.198 -0.011) 1.310 15.353 ( -6.805 10.266 -4.290) 13.042 15.981 ( 0.714 -4.540 -0.886) 4.680 15.996 ( 3.922 -3.763 -4.368) 6.973 16.096 ( -0.010 2.510 -1.393) 2.871 16.139 ( -0.702 1.093 -0.351) 1.345 16.161 ( 3.619 1.555 -3.474) 5.252 16.361 ( -1.458 -1.326 -6.778) 7.059 17.407 ( -0.270 0.575 -1.323) 1.467 17.458 ( -3.351 -0.185 2.830) 4.389 17.662 ( 0.390 -2.958 3.390) 4.516 17.680 ( 0.699 -7.461 5.789) 9.469 26.832 ( 0.040 0.200 0.714) 0.743 26.861 ( -0.748 -1.457 -0.130) 1.643 26.993 ( 0.771 -0.805 -0.008) 1.115 27.033 ( -0.287 -1.005 -0.115) 1.051 27.354 ( 0.035 6.812 2.121) 7.135 27.709 ( -22.913 37.218 -13.355) 45.700 28.234 ( 2.741 -7.925 -1.909) 8.600 28.483 ( -3.552 1.863 -4.164) 5.781 28.950 ( 6.631 6.378 -0.731) 9.229 29.414 ( -5.296 13.231 -0.452) 14.258 29.872 ( 20.343 -0.461 -12.122) 23.685 30.404 ( -1.978 1.024 4.201) 4.755 30.835 ( -1.171 0.157 5.440) 5.567 30.935 ( -6.003 -3.664 8.720) 11.203 31.754 ( 18.291 -24.308 4.984) 30.826 32.273 ( -3.749 -21.388 6.563) 22.684 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 18.325 7.355 12.951) 23.615 1.327 ( 17.681 9.220 10.680) 22.621 1.547 ( -15.292 7.458 6.246) 18.124 1.718 ( -16.779 10.081 4.632) 20.115 2.381 ( 24.627 13.208 11.466) 30.206 2.502 ( 10.804 7.026 0.979) 12.925 2.740 ( -7.079 7.880 -4.068) 11.347 2.848 ( -7.554 -0.480 -1.005) 7.636 2.910 ( -0.819 -4.183 -0.271) 4.271 2.992 ( -11.615 4.179 4.115) 13.012 3.361 ( 5.194 0.139 -5.171) 7.331 3.453 ( -2.350 9.168 -7.070) 11.813 3.600 ( 0.299 7.983 -0.442) 8.001 3.636 ( -5.019 2.987 2.053) 6.191 3.731 ( 3.742 -1.853 8.006) 9.030 3.831 ( -5.507 -0.635 6.552) 8.582 4.149 ( 5.924 8.121 2.626) 10.389 4.257 ( -3.510 0.725 2.671) 4.470 4.510 ( 1.270 7.836 6.443) 10.224 4.521 ( 0.827 7.648 6.389) 10.000 4.699 ( 2.594 -7.004 0.165) 7.471 4.735 ( -1.554 -7.099 -2.640) 7.732 4.973 ( 4.107 0.355 -3.623) 5.488 5.050 ( -3.824 -0.763 -3.671) 5.356 5.212 ( 2.539 -0.763 1.218) 2.918 5.283 ( -4.970 0.338 2.426) 5.540 5.568 ( 2.548 2.666 -4.256) 5.631 5.636 ( -4.470 7.460 -4.804) 9.936 5.706 ( 3.357 -6.137 0.665) 7.027 5.781 ( -4.448 -8.224 1.308) 9.441 6.209 ( 1.844 4.847 -9.038) 10.420 6.251 ( -2.391 4.483 -9.533) 10.802 6.742 ( 3.946 -2.968 4.658) 6.788 6.819 ( -4.235 -5.710 6.317) 9.511 7.007 ( 5.838 -13.331 -6.795) 16.061 7.119 ( -5.847 -15.109 -4.276) 16.756 7.401 ( 1.965 -2.223 -4.726) 5.580 7.412 ( 0.417 3.784 -4.389) 5.810 7.846 ( 3.992 -6.006 -1.724) 7.415 7.888 ( -0.982 -5.356 -6.636) 8.584 8.023 ( 7.189 0.301 -1.969) 7.460 8.110 ( -1.044 -1.871 -1.568) 2.654 8.241 ( 0.667 -2.042 -3.276) 3.917 8.269 ( -1.504 -3.580 -1.930) 4.336 8.753 ( 4.495 3.776 -6.184) 8.527 8.819 ( -2.533 4.562 -8.316) 9.818 9.090 ( 5.718 0.979 5.757) 8.173 9.260 ( -12.969 0.892 7.811) 15.165 11.435 ( 4.408 3.243 2.720) 6.111 11.527 ( -5.500 2.794 2.455) 6.639 11.951 ( 3.908 -1.568 2.027) 4.673 12.012 ( -2.708 -2.322 1.797) 3.994 13.161 ( 0.803 3.023 5.949) 6.721 13.180 ( -1.014 2.222 6.368) 6.820 13.820 ( 5.258 -2.760 3.421) 6.853 13.919 ( -5.083 -3.214 2.883) 6.669 15.229 ( 1.264 2.391 -0.097) 2.706 15.265 ( -2.977 5.125 -0.672) 5.964 15.998 ( 1.127 -3.845 -1.029) 4.137 16.017 ( -0.618 -3.440 -1.717) 3.894 16.105 ( 0.802 2.286 -1.650) 2.931 16.121 ( -0.984 1.890 -1.107) 2.401 16.244 ( 4.598 -1.187 -6.578) 8.113 16.317 ( -3.267 -1.721 -6.616) 7.577 17.405 ( 0.204 0.787 -0.175) 0.832 17.418 ( -1.238 0.897 0.890) 1.769 17.671 ( 0.595 -2.387 2.539) 3.535 17.681 ( -0.396 -3.935 3.121) 5.038 26.835 ( 0.366 -0.613 0.568) 0.912 26.846 ( -0.757 -1.257 0.250) 1.488 27.010 ( 0.905 -0.814 -0.122) 1.224 27.024 ( -0.642 -0.902 -0.139) 1.116 27.366 ( 1.709 10.875 1.632) 11.129 27.442 ( -7.708 19.816 -0.644) 21.273 28.303 ( 4.606 -5.884 -2.145) 7.774 28.396 ( -5.244 -2.464 -2.742) 6.410 29.100 ( 9.187 9.894 -0.555) 13.513 29.272 ( -9.112 11.945 0.096) 15.024 30.163 ( 11.769 -0.501 -4.610) 12.650 30.328 ( -6.437 0.212 2.244) 6.820 30.829 ( 0.796 -0.508 3.691) 3.809 30.862 ( -2.669 -1.787 4.146) 5.244 32.022 ( 10.892 -18.173 -0.528) 21.194 32.178 ( -6.575 -17.612 2.328) 18.943 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.000 22.021 14.591) 26.416 1.233 ( 0.000 22.220 13.811) 26.163 2.176 ( 0.000 19.971 4.760) 20.530 2.242 ( 0.000 13.575 2.688) 13.839 2.311 ( 0.000 21.151 5.600) 21.880 2.428 ( 0.000 9.608 5.776) 11.210 2.712 ( 0.000 -9.033 -1.610) 9.175 2.749 ( 0.000 -2.611 -1.097) 2.832 2.942 ( 0.000 -5.417 0.730) 5.466 3.071 ( 0.000 -8.516 1.646) 8.674 3.338 ( 0.000 -4.364 4.772) 6.467 3.547 ( 0.000 1.194 3.568) 3.762 3.581 ( 0.000 14.060 -6.533) 15.504 3.896 ( 0.000 16.185 -4.322) 16.752 4.059 ( 0.000 10.789 0.257) 10.792 4.114 ( 0.000 2.587 -2.103) 3.334 4.209 ( 0.000 9.231 -6.017) 11.019 4.345 ( 0.000 2.808 1.468) 3.169 4.579 ( 0.000 -8.222 -6.667) 10.585 4.591 ( 0.000 -1.733 1.545) 2.321 4.671 ( 0.000 13.034 11.102) 17.121 4.690 ( 0.000 1.675 0.894) 1.899 4.820 ( 0.000 -6.415 1.354) 6.556 4.885 ( 0.000 8.254 5.320) 9.820 5.146 ( 0.000 -8.724 -0.506) 8.738 5.456 ( 0.000 -1.844 -1.171) 2.185 5.477 ( 0.000 -8.379 -2.448) 8.730 5.685 ( 0.000 -4.970 7.431) 8.939 5.827 ( 0.000 10.611 -10.247) 14.751 6.011 ( 0.000 10.359 -8.120) 13.162 6.283 ( 0.000 3.137 2.072) 3.759 6.411 ( 0.000 0.349 0.863) 0.931 6.636 ( 0.000 -10.433 -5.977) 12.024 6.701 ( 0.000 -3.568 -1.503) 3.872 6.769 ( 0.000 -7.316 -0.621) 7.342 6.797 ( 0.000 -6.728 -0.111) 6.729 7.011 ( 0.000 -14.434 -3.034) 14.749 7.350 ( 0.000 -13.810 3.510) 14.250 7.528 ( 0.000 7.209 -3.383) 7.964 7.935 ( 0.000 2.244 -3.553) 4.202 8.004 ( 0.000 -3.439 -6.142) 7.039 8.050 ( 0.000 1.953 -3.324) 3.855 8.068 ( 0.000 0.680 4.400) 4.452 8.465 ( 0.000 -10.881 -1.221) 10.949 8.591 ( 0.000 10.524 -3.206) 11.002 8.879 ( 0.000 -0.184 -7.881) 7.884 9.036 ( 0.000 1.264 0.902) 1.553 9.532 ( 0.000 -10.411 3.565) 11.005 11.411 ( 0.000 5.075 3.165) 5.981 11.739 ( 0.000 1.281 1.826) 2.231 11.794 ( 0.000 -0.660 3.919) 3.974 11.965 ( 0.000 -6.927 2.429) 7.341 13.227 ( 0.000 4.196 3.199) 5.276 13.280 ( 0.000 7.493 4.237) 8.608 13.644 ( 0.000 -4.793 5.020) 6.941 13.917 ( 0.000 -6.332 2.401) 6.772 15.249 ( 0.000 3.725 0.061) 3.726 15.624 ( 0.000 4.657 -9.645) 10.711 15.858 ( 0.000 -2.811 -0.274) 2.824 15.877 ( 0.000 -5.857 -0.251) 5.862 16.155 ( 0.000 2.560 -1.429) 2.932 16.156 ( 0.000 1.447 -0.439) 1.512 16.180 ( 0.000 2.010 -0.908) 2.206 16.346 ( 0.000 -1.850 -5.726) 6.017 17.419 ( 0.000 0.390 -0.384) 0.547 17.505 ( 0.000 -0.420 -0.904) 0.997 17.507 ( 0.000 -1.588 5.916) 6.126 17.643 ( 0.000 -1.496 1.936) 2.447 26.849 ( 0.000 1.238 0.576) 1.365 26.851 ( 0.000 -0.177 0.132) 0.220 26.964 ( 0.000 -1.421 0.290) 1.451 27.007 ( 0.000 -1.840 -0.035) 1.841 27.478 ( 0.000 6.788 2.002) 7.077 28.022 ( 0.000 -9.468 -0.166) 9.469 28.534 ( 0.000 2.330 -3.420) 4.138 28.648 ( 0.000 6.067 -19.795) 20.704 29.102 ( 0.000 18.832 -22.642) 29.450 29.541 ( 0.000 2.637 -5.204) 5.834 29.794 ( 0.000 14.710 1.415) 14.777 30.447 ( 0.000 1.309 4.817) 4.992 30.868 ( 0.000 2.027 5.947) 6.283 30.974 ( 0.000 -4.215 9.290) 10.201 30.975 ( 0.000 -20.288 30.314) 36.477 31.914 ( 0.000 -19.253 1.199) 19.291 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 5.083 20.482 14.362) 25.527 1.306 ( 10.953 20.062 12.874) 26.233 2.025 ( -14.616 11.479 3.735) 18.956 2.160 ( -8.839 11.015 1.943) 14.256 2.421 ( 10.062 19.633 7.176) 23.199 2.498 ( 5.663 7.118 3.386) 9.706 2.698 ( -0.608 -8.468 -0.307) 8.495 2.790 ( 4.939 3.554 2.111) 6.441 2.953 ( -0.217 -5.412 0.484) 5.438 3.105 ( 4.093 -2.242 -1.271) 4.837 3.326 ( -0.894 1.622 -1.373) 2.306 3.582 ( 4.194 0.548 6.079) 7.406 3.621 ( 2.987 9.661 -3.991) 10.871 3.843 ( -4.277 12.368 -4.698) 13.904 4.021 ( -4.271 9.563 1.660) 10.604 4.104 ( -11.282 14.155 0.524) 18.109 4.198 ( 5.855 5.463 -3.224) 8.633 4.308 ( -0.809 3.962 -0.246) 4.051 4.555 ( 0.357 -3.600 -3.549) 5.068 4.605 ( 0.017 -4.781 -2.137) 5.237 4.673 ( 1.435 9.745 5.802) 11.432 4.707 ( -1.232 3.886 10.107) 10.898 4.837 ( 2.834 -4.206 -1.570) 5.309 4.931 ( 1.943 -1.816 3.120) 4.100 5.149 ( 1.059 -4.959 0.462) 5.092 5.397 ( -3.807 -3.954 -0.740) 5.538 5.512 ( 1.418 -4.123 -2.080) 4.831 5.664 ( -2.439 -6.823 5.806) 9.285 5.774 ( -4.247 11.062 -6.382) 13.459 5.963 ( -4.611 10.643 -6.436) 13.265 6.272 ( -1.228 3.064 -2.058) 3.890 6.341 ( -4.666 -0.547 -4.807) 6.722 6.603 ( 0.179 -11.023 1.959) 11.198 6.649 ( -1.422 -7.323 0.305) 7.466 6.772 ( 1.784 -7.023 -0.741) 7.284 6.907 ( -3.861 -12.482 -1.180) 13.119 7.098 ( 13.168 -9.531 -4.735) 16.931 7.487 ( 11.138 -10.015 -1.758) 15.081 7.518 ( -0.382 3.360 -2.797) 4.388 7.893 ( -3.490 -0.027 -6.023) 6.961 8.012 ( 0.705 3.231 -3.720) 4.978 8.058 ( 1.202 -1.647 -0.704) 2.157 8.117 ( 3.600 -1.381 0.509) 3.889 8.357 ( -7.344 -4.751 1.161) 8.823 8.703 ( 7.788 4.991 -5.105) 10.566 8.879 ( -0.001 0.520 -8.278) 8.294 9.046 ( 1.241 0.691 1.605) 2.143 9.438 ( -9.127 -7.076 3.859) 12.177 11.441 ( 2.938 4.718 3.043) 6.336 11.675 ( -4.633 2.201 2.761) 5.825 11.847 ( 3.455 -1.708 2.885) 4.814 11.959 ( -0.687 -6.395 2.392) 6.862 13.231 ( 0.434 4.469 3.873) 5.930 13.275 ( -0.543 6.968 4.633) 8.385 13.671 ( 2.871 -4.696 4.321) 6.997 13.896 ( -2.315 -6.248 2.485) 7.112 15.262 ( 1.445 4.194 0.047) 4.436 15.520 ( -8.227 6.924 -4.541) 11.673 15.871 ( 1.294 -6.467 -0.991) 6.669 15.920 ( 2.359 -4.438 -2.191) 5.483 16.143 ( -0.247 2.314 -1.650) 2.853 16.165 ( -0.088 1.563 -0.919) 1.815 16.188 ( 1.218 1.395 -1.450) 2.352 16.328 ( -1.886 -1.997 -5.461) 6.113 17.419 ( 0.133 0.840 -0.213) 0.876 17.468 ( -1.500 1.320 1.253) 2.359 17.560 ( 2.787 -3.231 2.234) 4.816 17.640 ( -0.363 -1.792 1.880) 2.622 26.845 ( -0.363 0.345 0.305) 0.586 26.847 ( -0.231 1.033 0.553) 1.195 26.972 ( 0.780 -1.428 0.157) 1.635 27.006 ( -0.191 -1.789 -0.044) 1.799 27.501 ( 2.600 7.884 1.775) 8.489 28.059 ( 3.358 -8.126 -0.763) 8.826 28.213 ( -25.883 13.911 -9.505) 30.883 28.512 ( -9.362 0.597 -4.289) 10.315 29.165 ( 8.279 15.089 -7.611) 18.819 29.707 ( -5.552 15.845 -1.598) 16.865 29.854 ( 18.098 -1.467 -11.989) 21.758 30.421 ( -3.291 0.116 4.779) 5.803 30.835 ( -3.167 -4.319 10.705) 11.970 30.861 ( -0.814 1.285 5.622) 5.824 31.289 ( 19.416 -20.217 16.161) 32.355 31.889 ( -2.869 -19.585 1.433) 19.846 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 12.039 16.122 12.713) 23.800 1.545 ( 8.994 14.072 9.575) 19.251 1.758 ( -8.896 13.447 8.258) 18.115 1.926 ( -15.081 11.694 4.937) 19.712 2.553 ( 3.050 -0.994 0.444) 3.239 2.568 ( 1.228 -2.437 0.042) 2.729 2.731 ( 5.099 -5.997 -0.225) 7.875 2.846 ( -4.780 -3.286 2.147) 6.185 3.030 ( 11.851 18.215 1.490) 21.782 3.158 ( -0.786 10.823 -3.527) 11.410 3.373 ( 8.018 3.466 -1.925) 8.945 3.585 ( -8.521 3.903 1.508) 9.493 3.698 ( 4.864 4.090 2.327) 6.767 3.766 ( -3.881 6.433 -0.016) 7.513 3.874 ( -4.940 16.232 2.361) 17.131 3.926 ( -6.892 13.161 1.727) 14.956 4.294 ( 4.247 7.026 -2.389) 8.550 4.330 ( 0.764 5.878 -1.766) 6.184 4.582 ( 1.919 -3.296 -0.549) 3.853 4.604 ( -0.299 -4.291 -1.422) 4.531 4.679 ( -0.267 4.588 6.167) 7.691 4.692 ( -0.399 7.252 6.054) 9.455 4.880 ( 1.928 -8.024 -0.712) 8.284 4.922 ( -2.262 -7.213 1.224) 7.657 5.210 ( 5.313 0.688 2.885) 6.085 5.316 ( -5.385 -0.019 2.021) 5.752 5.532 ( 1.348 -5.448 -1.675) 5.857 5.584 ( -4.613 -6.611 0.912) 8.113 5.766 ( 3.459 9.495 -3.098) 10.569 5.861 ( -6.003 10.478 -4.329) 12.828 6.252 ( 0.257 -0.452 -6.421) 6.442 6.285 ( -2.602 -0.903 -5.587) 6.229 6.627 ( 2.964 -12.819 2.045) 13.315 6.664 ( 0.701 -5.103 3.787) 6.393 6.787 ( -0.107 -9.327 -0.979) 9.379 6.813 ( -4.272 -15.393 -1.631) 16.057 7.320 ( 10.047 -4.385 -5.141) 12.108 7.459 ( -5.022 1.497 -3.860) 6.509 7.696 ( 8.735 -8.804 -6.120) 13.830 7.816 ( -4.979 -3.240 -7.881) 9.869 8.042 ( 2.349 1.761 -3.054) 4.236 8.071 ( -0.253 -1.530 -1.782) 2.362 8.177 ( 2.939 -2.339 1.798) 4.165 8.243 ( -4.766 -2.597 3.798) 6.624 8.826 ( 4.833 3.883 -8.245) 10.315 8.874 ( -0.922 2.138 -9.039) 9.334 9.099 ( 5.280 -0.533 3.756) 6.502 9.248 ( -10.237 -2.484 4.325) 11.387 11.508 ( 4.114 4.208 2.972) 6.593 11.589 ( -4.614 3.430 2.970) 6.471 11.903 ( 2.517 -3.452 2.483) 4.941 11.939 ( -1.487 -5.112 2.364) 5.826 13.242 ( 0.806 5.252 4.796) 7.157 13.260 ( -1.010 6.125 5.079) 8.021 13.744 ( 4.777 -5.024 3.324) 7.689 13.832 ( -4.425 -5.731 2.776) 7.755 15.304 ( 3.188 5.478 -0.169) 6.341 15.385 ( -5.880 7.021 -1.174) 9.234 15.902 ( 1.885 -6.177 -1.173) 6.564 15.931 ( -0.912 -5.464 -1.786) 5.820 16.147 ( 0.534 2.106 -1.812) 2.829 16.158 ( -0.568 1.799 -1.268) 2.273 16.225 ( 2.699 -0.621 -3.324) 4.327 16.281 ( -3.053 -1.874 -4.780) 5.973 17.428 ( 0.773 1.601 -0.218) 1.791 17.445 ( -1.071 1.890 0.104) 2.175 17.602 ( 1.835 -3.347 1.725) 4.189 17.628 ( -0.987 -2.540 1.734) 3.230 26.841 ( -0.082 0.752 0.483) 0.898 26.843 ( -0.245 1.177 0.567) 1.329 26.987 ( 0.812 -1.501 -0.006) 1.706 27.000 ( -0.493 -1.652 -0.054) 1.725 27.587 ( 7.303 11.112 0.812) 13.322 27.797 ( -16.401 15.366 -2.383) 22.601 28.176 ( 7.483 -6.896 -0.581) 10.193 28.335 ( -9.503 -3.735 -1.601) 10.335 29.351 ( 10.919 15.180 -3.556) 19.034 29.548 ( -10.195 15.612 -1.478) 18.705 30.139 ( 12.240 -2.348 -6.350) 13.988 30.319 ( -7.634 -1.639 1.264) 7.909 30.820 ( 0.699 -0.506 5.586) 5.653 30.841 ( -1.274 1.041 5.078) 5.338 31.607 ( 14.029 -22.115 6.680) 27.028 31.799 ( -7.229 -20.686 2.582) 22.065 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.000 23.803 6.355) 24.637 1.659 ( 0.000 21.488 7.431) 22.737 2.360 ( 0.000 -5.493 0.210) 5.497 2.368 ( 0.000 -6.903 1.127) 6.994 2.408 ( 0.000 2.378 -0.799) 2.509 2.566 ( 0.000 7.511 4.497) 8.755 2.630 ( 0.000 3.654 1.212) 3.849 2.834 ( 0.000 -6.788 4.941) 8.396 2.897 ( 0.000 -6.213 4.903) 7.915 3.125 ( 0.000 23.657 6.122) 24.437 3.200 ( 0.000 -5.156 9.168) 10.519 3.555 ( 0.000 -0.198 1.290) 1.305 3.880 ( 0.000 16.470 -6.373) 17.660 4.093 ( 0.000 2.607 -3.194) 4.123 4.159 ( 0.000 1.625 -0.422) 1.678 4.275 ( 0.000 9.954 -4.326) 10.853 4.356 ( 0.000 6.904 -10.636) 12.680 4.404 ( 0.000 2.676 -5.555) 6.166 4.490 ( 0.000 -4.080 -1.391) 4.310 4.564 ( 0.000 1.144 -2.204) 2.483 4.678 ( 0.000 -4.538 1.652) 4.830 4.791 ( 0.000 5.159 6.660) 8.424 4.882 ( 0.000 7.382 9.061) 11.688 4.911 ( 0.000 -5.645 3.395) 6.587 5.180 ( 0.000 10.835 0.775) 10.862 5.233 ( 0.000 -12.169 1.477) 12.258 5.359 ( 0.000 -6.398 -0.006) 6.398 5.617 ( 0.000 -5.288 4.792) 7.136 6.058 ( 0.000 12.466 -6.570) 14.091 6.173 ( 0.000 6.172 -3.462) 7.077 6.322 ( 0.000 1.028 1.729) 2.011 6.352 ( 0.000 -5.144 3.828) 6.412 6.491 ( 0.000 -3.731 -6.159) 7.201 6.603 ( 0.000 -5.453 -5.152) 7.502 6.698 ( 0.000 -2.355 -4.229) 4.841 6.700 ( 0.000 -3.249 -4.020) 5.169 6.785 ( 0.000 -7.535 -1.260) 7.640 7.059 ( 0.000 -15.661 0.340) 15.664 7.691 ( 0.000 10.076 -2.922) 10.491 7.944 ( 0.000 -0.624 -1.760) 1.867 7.945 ( 0.000 -1.918 -0.448) 1.969 8.076 ( 0.000 -1.723 -4.669) 4.977 8.105 ( 0.000 2.489 2.537) 3.554 8.241 ( 0.000 -10.577 -0.304) 10.582 8.759 ( 0.000 6.499 -1.250) 6.619 8.866 ( 0.000 -1.030 -5.926) 6.015 9.075 ( 0.000 3.334 -3.329) 4.711 9.342 ( 0.000 -9.387 0.339) 9.393 11.527 ( 0.000 6.808 3.057) 7.463 11.758 ( 0.000 0.727 2.791) 2.884 11.782 ( 0.000 -0.644 3.873) 3.926 11.820 ( 0.000 -7.943 2.809) 8.426 13.321 ( 0.000 5.480 3.553) 6.531 13.436 ( 0.000 8.496 3.253) 9.098 13.545 ( 0.000 -5.354 4.478) 6.979 13.776 ( 0.000 -8.175 2.490) 8.546 15.356 ( 0.000 7.287 -0.135) 7.288 15.649 ( 0.000 -3.162 -4.757) 5.712 15.773 ( 0.000 -3.064 0.105) 3.066 15.809 ( 0.000 -2.259 -0.473) 2.308 16.185 ( 0.000 1.426 -1.626) 2.163 16.193 ( 0.000 1.283 -1.725) 2.150 16.219 ( 0.000 2.052 -1.257) 2.406 16.305 ( 0.000 -2.304 -4.018) 4.631 17.437 ( 0.000 1.511 -0.958) 1.789 17.493 ( 0.000 -0.933 -1.357) 1.647 17.519 ( 0.000 1.829 2.156) 2.827 17.607 ( 0.000 -2.211 1.819) 2.863 26.862 ( 0.000 1.306 0.399) 1.365 26.879 ( 0.000 1.916 0.378) 1.953 26.932 ( 0.000 -1.816 0.467) 1.876 26.967 ( 0.000 -2.318 0.102) 2.320 27.604 ( 0.000 6.276 1.873) 6.549 27.857 ( 0.000 -7.726 1.001) 7.791 28.579 ( 0.000 2.300 -3.375) 4.084 28.661 ( 0.000 -1.602 -6.553) 6.746 29.398 ( 0.000 10.949 -21.608) 24.224 29.566 ( 0.000 0.131 -8.009) 8.010 30.066 ( 0.000 12.723 3.535) 13.205 30.425 ( 0.000 -4.985 9.759) 10.959 30.739 ( 0.000 -4.031 17.162) 17.629 30.853 ( 0.000 -4.796 6.780) 8.304 30.991 ( 0.000 7.952 7.092) 10.655 31.548 ( 0.000 -18.637 1.160) 18.673 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 2.463 20.951 7.810) 22.495 1.718 ( 7.028 21.839 6.795) 23.927 2.249 ( -12.708 11.157 4.783) 17.574 2.340 ( -4.815 3.178 0.256) 5.775 2.370 ( -2.326 -9.404 2.323) 9.962 2.486 ( -0.176 -9.515 2.091) 9.743 2.591 ( -5.345 -1.070 2.323) 5.925 2.790 ( -3.772 -9.831 3.519) 11.102 3.060 ( 13.090 3.825 0.990) 13.674 3.256 ( 12.541 20.781 5.250) 24.833 3.290 ( 7.244 -2.894 4.571) 9.041 3.577 ( 1.695 -0.376 2.102) 2.726 3.874 ( -0.546 16.031 -4.449) 16.646 4.027 ( -4.221 7.313 -3.047) 8.977 4.211 ( 0.510 2.813 -3.867) 4.809 4.271 ( 0.908 9.723 -2.806) 10.160 4.349 ( 1.526 4.073 -8.168) 9.254 4.433 ( 0.356 7.627 -1.716) 7.826 4.494 ( 0.671 -4.637 -2.805) 5.461 4.530 ( -2.531 1.918 -1.361) 3.455 4.661 ( -1.745 -7.701 1.471) 8.032 4.766 ( -2.954 2.921 6.193) 7.457 4.874 ( -0.324 6.346 6.872) 9.359 4.906 ( -0.570 -4.337 4.360) 6.176 5.191 ( 1.556 6.468 0.760) 6.696 5.253 ( 1.777 -6.693 2.542) 7.377 5.372 ( 1.272 -7.472 -0.154) 7.581 5.578 ( -4.098 -4.803 4.544) 7.779 6.009 ( -4.326 12.058 -5.526) 13.951 6.129 ( -4.096 6.407 -2.675) 8.061 6.290 ( -6.532 -3.496 -3.488) 8.189 6.308 ( -1.780 -0.041 0.717) 1.920 6.422 ( -3.379 -5.333 -2.407) 6.757 6.527 ( -0.791 -5.911 2.035) 6.301 6.654 ( -0.512 -5.737 -2.043) 6.111 6.692 ( -7.284 -8.986 -0.082) 11.568 6.986 ( 16.503 -1.853 -6.395) 17.795 7.240 ( 15.216 -12.810 -4.409) 20.373 7.641 ( -5.077 7.717 -3.172) 9.766 7.879 ( -5.555 -1.708 -6.735) 8.895 8.003 ( 3.690 -1.343 -0.258) 3.935 8.082 ( 0.545 0.093 -3.237) 3.284 8.110 ( 0.793 0.642 3.249) 3.406 8.214 ( -2.184 -7.290 1.122) 7.692 8.811 ( 4.845 4.901 -2.039) 7.187 8.888 ( 2.327 0.291 -6.049) 6.488 9.064 ( -0.989 1.997 -2.645) 3.459 9.291 ( -5.264 -7.959 0.488) 9.555 11.547 ( 2.131 6.300 3.093) 7.334 11.717 ( -2.993 2.220 3.305) 4.981 11.808 ( 1.404 -2.334 3.263) 4.251 11.823 ( 0.265 -7.504 2.823) 8.022 13.332 ( 1.129 5.882 3.751) 7.067 13.426 ( -1.080 8.448 3.490) 9.204 13.569 ( 2.534 -5.768 4.025) 7.476 13.758 ( -1.976 -8.008 2.564) 8.637 15.376 ( 2.202 7.542 -0.140) 7.858 15.622 ( -3.837 3.051 -3.695) 6.138 15.739 ( -0.486 -6.338 0.437) 6.371 15.830 ( 0.289 -4.703 -1.188) 4.860 16.182 ( -0.134 1.648 -2.027) 2.615 16.192 ( -0.132 1.072 -1.551) 1.890 16.215 ( -0.267 1.440 -1.295) 1.955 16.288 ( -1.768 -2.143 -3.842) 4.741 17.445 ( 0.797 1.746 -0.907) 2.123 17.498 ( 0.042 0.964 -0.426) 1.055 17.522 ( 0.757 -0.445 1.136) 1.436 17.600 ( -0.734 -2.304 1.604) 2.902 26.863 ( 0.145 1.585 0.427) 1.648 26.878 ( -0.099 1.976 0.380) 2.015 26.940 ( 0.695 -1.904 0.328) 2.054 26.966 ( -0.093 -2.278 0.088) 2.282 27.643 ( 4.401 6.936 1.637) 8.376 27.905 ( 5.154 -7.487 0.811) 9.126 28.379 ( -18.976 5.246 -4.524) 20.201 28.500 ( -12.965 -1.701 -3.267) 13.478 29.454 ( 8.294 13.661 -10.880) 19.334 29.795 ( 16.352 -4.362 -13.363) 21.564 29.995 ( -6.918 13.138 2.013) 14.984 30.372 ( -5.284 -5.809 6.998) 10.518 30.772 ( 3.451 -0.070 9.742) 10.335 30.940 ( 2.651 2.874 6.744) 7.796 31.018 ( 7.611 -5.320 11.313) 14.636 31.518 ( -3.382 -18.703 1.852) 19.096 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 7.507 17.907 9.234) 21.501 1.854 ( 2.154 17.206 7.189) 18.771 2.040 ( -3.730 15.541 6.995) 17.446 2.174 ( -10.925 14.092 3.300) 18.133 2.370 ( 1.840 -13.257 2.159) 13.557 2.440 ( -5.378 -11.338 3.013) 12.906 2.592 ( 5.596 -9.920 0.920) 11.427 2.704 ( -5.695 -11.020 1.871) 12.545 3.283 ( 9.805 8.833 -4.159) 13.837 3.377 ( 0.386 7.091 -4.236) 8.269 3.496 ( 10.621 6.564 3.406) 12.942 3.593 ( -0.754 -2.187 3.737) 4.396 3.878 ( 2.024 15.904 -0.123) 16.033 3.952 ( -4.394 12.655 -1.860) 13.525 4.188 ( -0.196 14.762 -4.457) 15.421 4.241 ( -5.014 15.683 -2.590) 16.668 4.419 ( 4.598 2.083 -0.813) 5.113 4.434 ( 1.389 4.942 -2.359) 5.649 4.491 ( -0.659 -5.648 -5.059) 7.611 4.516 ( -0.827 -6.478 0.888) 6.590 4.633 ( 0.095 -5.625 1.820) 5.913 4.688 ( -4.783 0.612 4.869) 6.853 4.878 ( 0.641 2.808 5.424) 6.141 4.893 ( -0.811 -1.255 4.894) 5.117 5.239 ( 3.131 2.393 2.874) 4.877 5.274 ( -0.156 -1.854 3.662) 4.107 5.405 ( 2.643 -6.872 -0.095) 7.363 5.482 ( -5.520 -4.722 2.365) 7.640 5.968 ( 1.211 10.073 -3.779) 10.827 6.041 ( -5.291 7.738 -2.997) 9.842 6.203 ( -1.398 -3.765 -4.416) 5.969 6.238 ( -4.548 -3.648 -2.503) 6.345 6.437 ( 4.502 -5.218 0.160) 6.893 6.549 ( -4.984 -6.435 1.087) 8.212 6.565 ( 0.907 -9.240 2.239) 9.551 6.622 ( -2.836 -8.210 1.566) 8.826 7.276 ( 14.519 0.568 -6.708) 16.004 7.495 ( -2.745 -0.168 -5.335) 6.002 7.526 ( 6.484 -5.596 -7.278) 11.239 7.733 ( -9.965 -5.669 -9.147) 14.667 8.061 ( 2.249 0.671 -1.579) 2.828 8.084 ( -0.441 2.017 -2.456) 3.209 8.139 ( 2.076 -1.953 3.601) 4.593 8.176 ( -1.947 -3.470 2.663) 4.788 8.898 ( 3.857 3.567 -4.687) 7.041 8.932 ( 0.951 4.049 -6.497) 7.714 9.065 ( 2.668 -2.627 0.215) 3.751 9.169 ( -7.187 -5.284 0.840) 8.960 11.598 ( 3.153 5.206 3.205) 6.879 11.658 ( -3.319 3.872 3.328) 6.089 11.825 ( 0.489 -4.473 3.006) 5.411 11.827 ( 0.143 -6.280 2.876) 6.909 13.361 ( 1.924 6.876 3.955) 8.162 13.398 ( -1.937 7.889 3.835) 8.983 13.632 ( 3.996 -6.559 3.311) 8.364 13.705 ( -3.643 -7.424 2.822) 8.738 15.435 ( 4.145 7.982 -0.322) 9.000 15.526 ( -5.570 7.486 -1.181) 9.405 15.765 ( 2.508 -7.964 -0.856) 8.393 15.811 ( -2.117 -6.870 -1.221) 7.291 16.184 ( 0.219 1.608 -1.964) 2.548 16.188 ( -0.273 1.369 -1.589) 2.115 16.218 ( 0.870 -0.256 -2.055) 2.247 16.248 ( -2.207 -1.518 -3.260) 4.219 17.464 ( 1.228 2.124 -0.546) 2.514 17.486 ( -1.063 2.314 0.060) 2.547 17.549 ( 1.783 -2.338 0.473) 2.978 17.580 ( -1.449 -2.457 1.050) 3.039 26.868 ( 0.366 1.983 0.419) 2.060 26.875 ( -0.297 2.074 0.386) 2.130 26.953 ( 0.672 -2.046 0.141) 2.158 26.962 ( -0.337 -2.177 0.075) 2.204 27.774 ( 10.134 8.443 0.688) 13.208 28.018 ( -11.037 5.925 -1.646) 12.635 28.052 ( 3.633 -3.680 0.288) 5.179 28.256 ( -12.855 -4.479 -0.989) 13.649 29.644 ( 11.064 14.628 -5.725) 19.213 29.838 ( -9.793 14.082 -1.580) 17.225 30.059 ( 12.003 -6.286 -7.711) 15.590 30.245 ( -8.423 -6.414 0.288) 10.590 30.846 ( 4.155 3.974 6.971) 9.036 30.914 ( -3.053 6.810 6.232) 9.723 31.234 ( 12.057 -16.342 8.525) 22.026 31.417 ( -7.674 -18.460 4.159) 20.419 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.000 -0.700 0.207) 0.730 1.996 ( 0.000 0.700 0.207) 0.730 2.124 ( 0.000 -2.591 5.219) 5.827 2.124 ( 0.000 2.591 5.219) 5.827 2.585 ( 0.000 -9.171 0.262) 9.175 2.585 ( 0.000 9.171 0.262) 9.175 2.692 ( 0.000 -6.114 4.691) 7.706 2.692 ( 0.000 6.114 4.691) 7.706 2.980 ( 0.000 -10.874 8.958) 14.089 2.980 ( 0.000 10.874 8.958) 14.089 3.495 ( 0.000 -8.541 -0.084) 8.542 3.495 ( 0.000 8.541 -0.084) 8.542 4.100 ( 0.000 -1.812 -1.398) 2.289 4.100 ( 0.000 1.812 -1.398) 2.289 4.278 ( 0.000 -12.297 -4.100) 12.962 4.278 ( 0.000 12.297 -4.100) 12.962 4.422 ( 0.000 -2.670 -3.632) 4.508 4.422 ( 0.000 2.670 -3.632) 4.508 4.466 ( 0.000 -2.051 -6.197) 6.528 4.466 ( 0.000 2.051 -6.197) 6.528 4.782 ( 0.000 -6.840 2.477) 7.275 4.782 ( 0.000 6.840 2.477) 7.275 4.887 ( 0.000 -4.013 7.793) 8.765 4.887 ( 0.000 4.013 7.793) 8.765 5.184 ( 0.000 -5.689 -0.143) 5.690 5.184 ( 0.000 5.689 -0.143) 5.690 5.450 ( 0.000 -11.338 3.635) 11.906 5.450 ( 0.000 11.338 3.635) 11.906 6.251 ( 0.000 -0.240 -0.786) 0.822 6.251 ( 0.000 0.240 -0.786) 0.822 6.277 ( 0.000 -4.338 0.659) 4.387 6.277 ( 0.000 4.338 0.659) 4.387 6.503 ( 0.000 -4.373 -7.324) 8.531 6.503 ( 0.000 4.373 -7.324) 8.531 6.665 ( 0.000 -0.338 -4.216) 4.229 6.665 ( 0.000 0.338 -4.216) 4.229 6.804 ( 0.000 -9.023 -0.792) 9.058 6.804 ( 0.000 9.023 -0.792) 9.058 7.907 ( 0.000 -10.273 -6.221) 12.010 7.907 ( 0.000 10.273 -6.221) 12.010 7.936 ( 0.000 -1.734 3.627) 4.020 7.936 ( 0.000 1.734 3.627) 4.020 8.146 ( 0.000 -1.860 -0.103) 1.863 8.146 ( 0.000 1.860 -0.103) 1.863 8.838 ( 0.000 -2.226 -2.834) 3.604 8.838 ( 0.000 2.226 -2.834) 3.604 9.179 ( 0.000 -7.344 -2.984) 7.927 9.179 ( 0.000 7.344 -2.984) 7.927 11.668 ( 0.000 -7.779 2.939) 8.315 11.668 ( 0.000 7.779 2.939) 8.315 11.770 ( 0.000 -0.569 3.527) 3.573 11.770 ( 0.000 0.569 3.527) 3.573 13.431 ( 0.000 -5.807 3.794) 6.936 13.431 ( 0.000 5.807 3.794) 6.936 13.610 ( 0.000 -8.866 2.898) 9.327 13.610 ( 0.000 8.866 2.898) 9.327 15.515 ( 0.000 -8.753 -1.015) 8.812 15.515 ( 0.000 8.753 -1.015) 8.812 15.773 ( 0.000 -1.474 -0.877) 1.716 15.773 ( 0.000 1.474 -0.877) 1.716 16.203 ( 0.000 -0.252 -1.899) 1.916 16.203 ( 0.000 0.252 -1.899) 1.916 16.260 ( 0.000 -2.299 -2.397) 3.321 16.260 ( 0.000 2.299 -2.397) 3.321 17.469 ( 0.000 -1.543 -1.625) 2.240 17.469 ( 0.000 1.543 -1.625) 2.240 17.562 ( 0.000 -2.409 1.814) 3.015 17.562 ( 0.000 2.409 1.814) 3.015 26.895 ( 0.000 -1.864 0.449) 1.917 26.895 ( 0.000 1.864 0.449) 1.917 26.922 ( 0.000 -2.284 0.287) 2.302 26.922 ( 0.000 2.284 0.287) 2.302 27.723 ( 0.000 -6.375 1.621) 6.578 27.723 ( 0.000 6.375 1.621) 6.578 28.622 ( 0.000 -2.214 -4.011) 4.581 28.622 ( 0.000 2.214 -4.011) 4.581 29.534 ( 0.000 -3.862 -13.925) 14.451 29.534 ( 0.000 3.862 -13.925) 14.451 30.276 ( 0.000 -9.427 9.302) 13.244 30.276 ( 0.000 9.427 9.302) 13.244 30.760 ( 0.000 -4.131 8.464) 9.418 30.760 ( 0.000 4.131 8.464) 9.418 31.219 ( 0.000 -15.124 3.759) 15.584 31.219 ( 0.000 15.124 3.759) 15.584 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 1.822 -11.792 1.972) 12.094 2.014 ( 1.822 11.792 1.972) 12.094 2.150 ( 2.863 -12.143 4.583) 13.292 2.150 ( 2.863 12.143 4.583) 13.292 2.475 ( -10.766 -9.414 4.248) 14.919 2.475 ( -10.766 9.414 4.248) 14.919 2.585 ( -6.377 -10.748 3.051) 12.865 2.585 ( -6.377 10.748 3.051) 12.865 3.166 ( 14.153 -6.816 4.979) 16.479 3.166 ( 14.153 6.816 4.979) 16.479 3.536 ( 3.287 -5.855 -1.278) 6.835 3.536 ( 3.287 5.855 -1.278) 6.835 4.132 ( 3.218 -5.475 -1.156) 6.455 4.132 ( 3.218 5.475 -1.156) 6.455 4.257 ( -1.751 -14.446 -2.785) 14.816 4.257 ( -1.751 14.446 -2.785) 14.816 4.424 ( 0.325 -2.604 -5.802) 6.368 4.424 ( 0.325 2.604 -5.802) 6.368 4.473 ( 0.261 -2.226 -4.576) 5.096 4.473 ( 0.261 2.226 -4.576) 5.096 4.769 ( -1.154 -8.508 3.264) 9.186 4.769 ( -1.154 8.508 3.264) 9.186 4.856 ( -3.070 -5.404 7.435) 9.691 4.856 ( -3.070 5.404 7.435) 9.691 5.207 ( 2.646 -4.972 0.390) 5.646 5.207 ( 2.646 4.972 0.390) 5.646 5.433 ( -1.976 -9.819 3.936) 10.762 5.433 ( -1.976 9.819 3.936) 10.762 6.195 ( -5.527 -4.331 -3.208) 7.720 6.195 ( -5.527 4.331 -3.208) 7.720 6.243 ( -3.816 -3.108 -0.604) 4.959 6.243 ( -3.816 3.108 -0.604) 4.959 6.428 ( -2.551 -4.682 -2.039) 5.709 6.428 ( -2.551 4.682 -2.039) 5.709 6.594 ( -5.030 -1.864 0.597) 5.397 6.594 ( -5.030 1.864 0.597) 5.397 7.038 ( 17.409 -7.249 -6.440) 19.928 7.038 ( 17.409 7.249 -6.440) 19.928 7.796 ( -8.243 -7.293 -5.383) 12.252 7.796 ( -8.243 7.293 -5.383) 12.252 8.015 ( 4.561 -3.141 1.442) 5.723 8.015 ( 4.561 3.141 1.442) 5.723 8.143 ( -0.338 -1.795 -0.190) 1.836 8.143 ( -0.338 1.795 -0.190) 1.836 8.874 ( 3.755 -1.936 -2.667) 4.996 8.874 ( 3.755 1.936 -2.667) 4.996 9.147 ( -3.269 -6.487 -2.809) 7.789 9.147 ( -3.269 6.487 -2.809) 7.789 11.679 ( 1.176 -7.308 2.997) 7.986 11.679 ( 1.176 7.308 2.997) 7.986 11.761 ( -0.905 -2.397 3.472) 4.315 11.761 ( -0.905 2.397 3.472) 4.315 13.450 ( 1.958 -6.222 3.699) 7.499 13.450 ( 1.958 6.222 3.699) 7.499 13.595 ( -1.593 -8.688 2.963) 9.317 13.595 ( -1.593 8.688 2.963) 9.317 15.537 ( 2.359 -8.650 -0.954) 9.017 15.537 ( 2.359 8.650 -0.954) 9.017 15.744 ( -2.923 -4.131 -0.799) 5.123 15.744 ( -2.923 4.131 -0.799) 5.123 16.201 ( -0.110 -0.252 -1.921) 1.941 16.201 ( -0.110 0.252 -1.921) 1.941 16.248 ( -1.247 -1.964 -2.319) 3.285 16.248 ( -1.247 1.964 -2.319) 3.285 17.479 ( 1.109 -1.707 -1.300) 2.415 17.479 ( 1.109 1.707 -1.300) 2.415 17.554 ( -0.788 -2.403 1.473) 2.927 17.554 ( -0.788 2.403 1.473) 2.927 26.900 ( 0.517 -2.033 0.383) 2.132 26.900 ( 0.517 2.033 0.383) 2.132 26.921 ( -0.059 -2.289 0.265) 2.305 26.921 ( -0.059 2.289 0.265) 2.305 27.771 ( 5.240 -6.602 1.414) 8.546 27.771 ( 5.240 6.602 1.414) 8.546 28.454 ( -15.157 -2.986 -3.068) 15.750 28.454 ( -15.157 2.986 -3.068) 15.750 29.670 ( 11.891 -8.853 -12.115) 19.146 29.670 ( 11.891 8.853 -12.115) 19.146 30.215 ( -5.925 -9.917 5.872) 12.959 30.215 ( -5.925 9.917 5.872) 12.959 30.834 ( 6.991 -5.780 8.910) 12.715 30.834 ( 6.991 5.780 8.910) 12.715 31.192 ( -2.913 -14.685 4.283) 15.572 31.192 ( -2.913 14.685 4.283) 15.572 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 4.851 -15.945 4.919) 17.378 2.072 ( 4.851 15.945 4.919) 17.378 2.176 ( -3.788 -14.941 5.735) 16.446 2.176 ( -3.788 14.941 5.735) 16.446 2.345 ( 1.184 -14.773 3.388) 15.202 2.345 ( 1.184 14.773 3.388) 15.202 2.455 ( -7.640 -14.187 2.390) 16.289 2.455 ( -7.640 14.187 2.390) 16.289 3.410 ( 11.371 -3.549 0.316) 11.916 3.410 ( 11.371 3.549 0.316) 11.916 3.550 ( -3.179 -1.565 -2.423) 4.292 3.550 ( -3.179 1.565 -2.423) 4.292 4.199 ( 3.177 -11.031 -0.652) 11.498 4.199 ( 3.177 11.031 -0.652) 11.498 4.232 ( -0.928 -15.790 -0.918) 15.844 4.232 ( -0.928 15.790 -0.918) 15.844 4.435 ( 1.032 -4.164 -6.737) 7.987 4.435 ( 1.032 4.164 -6.737) 7.987 4.463 ( -1.423 -3.525 -4.787) 6.113 4.463 ( -1.423 3.525 -4.787) 6.113 4.756 ( 0.288 -10.336 5.520) 11.721 4.756 ( 0.288 10.336 5.520) 11.721 4.791 ( -3.338 -8.214 7.043) 11.323 4.791 ( -3.338 8.214 7.043) 11.323 5.280 ( 5.014 -4.406 1.887) 6.936 5.280 ( 5.014 4.406 1.887) 6.936 5.373 ( -4.493 -6.343 3.611) 8.571 5.373 ( -4.493 6.343 3.611) 8.571 6.120 ( -1.155 -5.128 -3.901) 6.545 6.120 ( -1.155 5.128 -3.901) 6.545 6.157 ( -4.435 -4.269 -2.677) 6.713 6.157 ( -4.435 4.269 -2.677) 6.713 6.436 ( 2.479 -4.303 1.643) 5.231 6.436 ( 2.479 4.303 1.643) 5.231 6.502 ( -4.547 -2.902 2.295) 5.862 6.502 ( -4.547 2.902 2.295) 5.862 7.351 ( 15.862 -6.876 -7.860) 18.991 7.351 ( 15.862 6.876 -7.860) 18.991 7.609 ( -12.124 -6.616 -7.240) 15.594 7.609 ( -12.124 6.616 -7.240) 15.594 8.088 ( 3.177 -1.907 0.764) 3.783 8.088 ( 3.177 1.907 0.764) 3.783 8.129 ( -1.367 -1.665 -0.031) 2.155 8.129 ( -1.367 1.665 -0.031) 2.155 8.963 ( 5.554 -2.586 -2.427) 6.590 8.963 ( 5.554 2.586 -2.427) 6.590 9.066 ( -5.305 -4.508 -2.494) 7.395 9.066 ( -5.305 4.508 -2.494) 7.395 11.707 ( 1.728 -6.098 3.146) 7.076 11.707 ( 1.728 6.098 3.146) 7.076 11.738 ( -1.564 -4.425 3.327) 5.753 11.738 ( -1.564 4.425 3.327) 5.753 13.498 ( 3.052 -7.167 3.453) 8.520 13.498 ( 3.052 7.167 3.453) 8.520 13.554 ( -2.833 -8.104 3.165) 9.150 13.554 ( -2.833 8.104 3.165) 9.150 15.597 ( 3.961 -8.181 -0.819) 9.126 15.597 ( 3.961 8.181 -0.819) 9.126 15.675 ( -4.284 -6.824 -0.734) 8.091 15.675 ( -4.284 6.824 -0.734) 8.091 16.204 ( 0.529 -0.381 -1.993) 2.096 16.204 ( 0.529 0.381 -1.993) 2.096 16.222 ( -1.368 -1.149 -2.141) 2.789 16.222 ( -1.368 1.149 -2.141) 2.789 17.505 ( 1.586 -2.040 -0.455) 2.624 17.505 ( 1.586 2.040 -0.455) 2.624 17.534 ( -1.394 -2.304 0.599) 2.759 17.534 ( -1.394 2.304 0.599) 2.759 26.911 ( 0.555 -2.239 0.271) 2.322 26.911 ( 0.555 2.239 0.271) 2.322 26.918 ( -0.276 -2.294 0.234) 2.323 26.918 ( -0.276 2.294 0.234) 2.323 27.918 ( 10.699 -6.774 0.626) 12.679 27.918 ( 10.699 6.774 0.626) 12.679 28.160 ( -15.345 -5.660 -0.993) 16.386 28.160 ( -15.345 5.660 -0.993) 16.386 29.892 ( 11.356 -10.993 -7.240) 17.384 29.892 ( 11.356 10.993 -7.240) 17.384 30.078 ( -8.792 -10.741 -0.635) 13.895 30.078 ( -8.792 10.741 -0.635) 13.895 30.979 ( 8.065 -9.755 7.869) 14.904 30.979 ( 8.065 9.755 7.869) 14.904 31.111 ( -5.906 -13.053 5.810) 15.460 31.111 ( -5.906 13.053 5.810) 15.460 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.000 0.000 26.232) 26.232 1.263 ( 0.000 0.000 28.506) 28.506 1.869 ( 0.000 0.000 -1.665) 1.665 2.026 ( 0.000 0.000 31.337) 31.337 2.152 ( 0.000 0.000 8.918) 8.918 2.153 ( 0.000 0.000 4.064) 4.064 2.877 ( 0.000 0.000 -13.733) 13.733 2.890 ( 0.000 0.000 -4.045) 4.045 2.943 ( 0.000 0.000 -6.113) 6.113 2.984 ( 0.000 0.000 0.020) 0.020 3.085 ( 0.000 0.000 -8.820) 8.820 3.254 ( 0.000 0.000 -7.505) 7.505 3.475 ( 0.000 0.000 2.336) 2.336 3.689 ( 0.000 0.000 1.171) 1.171 3.726 ( 0.000 0.000 5.671) 5.671 4.257 ( 0.000 0.000 4.924) 4.924 4.367 ( 0.000 0.000 -0.832) 0.832 4.455 ( 0.000 0.000 12.367) 12.367 4.570 ( 0.000 0.000 10.533) 10.533 4.593 ( 0.000 0.000 21.767) 21.767 4.635 ( 0.000 0.000 -3.013) 3.013 4.712 ( 0.000 0.000 2.018) 2.018 4.815 ( 0.000 0.000 -14.580) 14.580 4.895 ( 0.000 0.000 -0.288) 0.288 5.190 ( 0.000 0.000 3.328) 3.328 5.379 ( 0.000 0.000 0.251) 0.251 5.446 ( 0.000 0.000 -5.006) 5.006 5.510 ( 0.000 0.000 -4.938) 4.938 5.783 ( 0.000 0.000 2.354) 2.354 5.941 ( 0.000 0.000 -14.750) 14.750 6.004 ( 0.000 0.000 -1.319) 1.319 6.186 ( 0.000 0.000 -1.396) 1.396 6.642 ( 0.000 0.000 -5.448) 5.448 6.711 ( 0.000 0.000 -11.194) 11.194 7.020 ( 0.000 0.000 -3.768) 3.768 7.177 ( 0.000 0.000 -5.841) 5.841 7.243 ( 0.000 0.000 -2.393) 2.393 7.475 ( 0.000 0.000 0.526) 0.526 7.673 ( 0.000 0.000 -10.094) 10.094 7.761 ( 0.000 0.000 0.298) 0.298 7.792 ( 0.000 0.000 -1.319) 1.319 7.864 ( 0.000 0.000 -10.684) 10.684 8.201 ( 0.000 0.000 -2.559) 2.559 8.342 ( 0.000 0.000 5.202) 5.202 8.495 ( 0.000 0.000 -9.354) 9.354 8.789 ( 0.000 0.000 0.858) 0.858 9.136 ( 0.000 0.000 6.043) 6.043 9.806 ( 0.000 0.000 -11.195) 11.195 11.397 ( 0.000 0.000 5.137) 5.137 11.685 ( 0.000 0.000 0.055) 0.055 11.909 ( 0.000 0.000 5.919) 5.919 12.126 ( 0.000 0.000 2.391) 2.391 13.215 ( 0.000 0.000 4.448) 4.448 13.249 ( 0.000 0.000 7.196) 7.196 13.901 ( 0.000 0.000 6.723) 6.723 14.111 ( 0.000 0.000 3.813) 3.813 15.200 ( 0.000 0.000 -0.103) 0.103 15.213 ( 0.000 0.000 -0.156) 0.156 15.937 ( 0.000 0.000 -0.735) 0.735 16.027 ( 0.000 0.000 -1.072) 1.072 16.031 ( 0.000 0.000 -2.329) 2.329 16.042 ( 0.000 0.000 -1.335) 1.335 16.149 ( 0.000 0.000 -0.017) 0.017 16.213 ( 0.000 0.000 -8.504) 8.504 17.363 ( 0.000 0.000 -1.552) 1.552 17.505 ( 0.000 0.000 0.168) 0.168 17.706 ( 0.000 0.000 0.987) 0.987 17.985 ( 0.000 0.000 -0.692) 0.692 26.843 ( 0.000 0.000 0.737) 0.737 26.876 ( 0.000 0.000 -0.737) 0.737 26.996 ( 0.000 0.000 0.300) 0.300 27.047 ( 0.000 0.000 -0.092) 0.092 27.236 ( 0.000 0.000 5.588) 5.588 27.373 ( 0.000 0.000 5.091) 5.091 28.216 ( 0.000 0.000 -5.868) 5.868 28.372 ( 0.000 0.000 -6.836) 6.836 28.913 ( 0.000 0.000 2.546) 2.546 29.224 ( 0.000 0.000 -3.142) 3.142 29.640 ( 0.000 0.000 4.422) 4.422 30.499 ( 0.000 0.000 4.153) 4.153 30.997 ( 0.000 0.000 9.233) 9.233 31.329 ( 0.000 0.000 14.496) 14.496 31.665 ( 0.000 0.000 -9.677) 9.677 32.631 ( 0.000 0.000 -7.135) 7.135 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 9.702 0.000 23.034) 24.994 1.301 ( 5.221 0.000 25.981) 26.500 1.825 ( -5.422 0.000 2.880) 6.140 1.962 ( -9.588 0.000 9.782) 13.698 2.194 ( 4.848 0.000 0.257) 4.855 2.303 ( 17.347 0.000 26.703) 31.843 2.715 ( -10.692 0.000 -9.701) 14.437 2.846 ( -3.442 0.000 -9.416) 10.025 2.941 ( -2.092 0.000 -2.920) 3.592 3.066 ( 6.475 0.000 -10.129) 12.021 3.131 ( 1.704 0.000 2.935) 3.394 3.241 ( -1.325 0.000 -7.914) 8.024 3.495 ( 2.639 0.000 1.121) 2.867 3.736 ( 4.911 0.000 3.039) 5.776 3.784 ( 2.752 0.000 2.735) 3.880 4.178 ( -7.613 0.000 7.738) 10.855 4.349 ( -11.204 0.000 23.492) 26.027 4.380 ( 3.187 0.000 -1.771) 3.646 4.531 ( 5.309 0.000 8.657) 10.155 4.588 ( -8.006 0.000 4.910) 9.392 4.631 ( -0.659 0.000 -3.486) 3.548 4.778 ( -3.678 0.000 -13.285) 13.785 4.797 ( 9.861 0.000 6.881) 12.024 5.001 ( 5.546 0.000 -0.583) 5.577 5.189 ( 0.586 0.000 3.893) 3.936 5.358 ( -2.069 0.000 0.355) 2.099 5.445 ( -0.168 0.000 -5.180) 5.183 5.493 ( -1.664 0.000 -4.646) 4.935 5.809 ( 2.697 0.000 1.881) 3.288 5.907 ( -2.332 0.000 -12.796) 13.006 5.987 ( -1.813 0.000 -1.045) 2.093 6.105 ( -6.807 0.000 -1.850) 7.054 6.687 ( 6.254 0.000 -2.942) 6.912 6.811 ( 6.545 0.000 -13.065) 14.613 6.998 ( -2.326 0.000 -2.558) 3.457 7.195 ( -0.936 0.000 -10.268) 10.311 7.254 ( 1.217 0.000 -2.429) 2.717 7.420 ( -4.349 0.000 -1.465) 4.589 7.755 ( 7.282 0.000 -7.658) 10.567 7.767 ( 5.324 0.000 -1.056) 5.428 7.856 ( 3.973 0.000 -7.824) 8.775 7.903 ( 3.215 0.000 -4.754) 5.739 8.193 ( -1.146 0.000 -5.474) 5.592 8.241 ( -8.233 0.000 -0.098) 8.233 8.572 ( 5.656 0.000 -4.233) 7.065 8.776 ( -1.395 0.000 0.608) 1.522 9.145 ( 1.246 0.000 6.061) 6.188 9.642 ( -14.998 0.000 -4.546) 15.671 11.416 ( 2.107 0.000 4.906) 5.339 11.638 ( -4.242 0.000 1.480) 4.493 11.949 ( 3.591 0.000 4.630) 5.860 12.114 ( -1.338 0.000 2.462) 2.802 13.248 ( 1.798 0.000 6.314) 6.565 13.273 ( 2.733 0.000 5.621) 6.250 13.896 ( 0.397 0.000 6.813) 6.824 14.093 ( -2.214 0.000 3.813) 4.409 15.202 ( 0.121 0.000 -0.113) 0.165 15.212 ( -0.135 0.000 -0.157) 0.207 15.962 ( 2.345 0.000 -2.479) 3.412 16.029 ( 0.164 0.000 -1.090) 1.102 16.041 ( -0.141 0.000 -1.302) 1.310 16.050 ( 2.000 0.000 -2.956) 3.569 16.114 ( -2.729 0.000 -1.767) 3.251 16.219 ( -0.292 0.000 -6.952) 6.958 17.368 ( 0.618 0.000 -1.133) 1.290 17.483 ( -2.313 0.000 0.660) 2.405 17.714 ( 0.933 0.000 1.135) 1.469 17.905 ( -6.698 0.000 1.600) 6.886 26.847 ( 0.351 0.000 0.412) 0.541 26.870 ( -0.527 0.000 -0.629) 0.821 27.003 ( 0.634 0.000 0.200) 0.665 27.042 ( -0.470 0.000 -0.097) 0.480 27.248 ( 1.240 0.000 5.534) 5.671 27.358 ( -1.517 0.000 5.127) 5.346 28.232 ( 1.694 0.000 -5.946) 6.182 28.358 ( -1.458 0.000 -6.734) 6.890 28.936 ( 3.338 0.000 2.617) 4.241 29.267 ( -0.149 0.000 -1.009) 1.020 29.752 ( 13.406 0.000 -1.849) 13.533 30.473 ( -3.420 0.000 2.729) 4.375 30.980 ( -1.627 0.000 9.167) 9.310 31.149 ( -12.126 0.000 8.500) 14.809 31.870 ( 15.260 0.000 -3.944) 15.761 32.552 ( -7.847 0.000 -4.357) 8.976 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 13.643 0.000 16.656) 21.530 1.469 ( 12.535 0.000 18.458) 22.312 1.664 ( -11.686 0.000 10.099) 15.445 1.728 ( -14.492 0.000 11.253) 18.348 2.330 ( 9.318 0.000 -4.903) 10.529 2.517 ( -10.668 0.000 -7.918) 13.285 2.637 ( 14.184 0.000 10.221) 17.483 2.788 ( -4.355 0.000 -8.786) 9.806 2.955 ( 6.836 0.000 4.213) 8.030 3.113 ( -5.130 0.000 10.237) 11.451 3.157 ( 3.585 0.000 -10.262) 10.871 3.208 ( -2.211 0.000 -9.068) 9.334 3.559 ( 4.554 0.000 3.069) 5.492 3.700 ( -10.170 0.000 4.556) 11.144 3.859 ( 8.096 0.000 6.328) 10.276 4.019 ( -9.017 0.000 8.208) 12.193 4.295 ( 5.365 0.000 16.993) 17.819 4.439 ( -8.410 0.000 9.388) 12.604 4.471 ( 6.044 0.000 -3.787) 7.133 4.573 ( -3.657 0.000 1.080) 3.813 4.635 ( 3.420 0.000 -2.972) 4.531 4.703 ( -3.857 0.000 -6.921) 7.923 4.940 ( 5.824 0.000 4.355) 7.272 5.020 ( -2.677 0.000 1.586) 3.112 5.239 ( 4.085 0.000 2.111) 4.598 5.309 ( -3.284 0.000 0.666) 3.351 5.444 ( 0.317 0.000 -5.040) 5.050 5.461 ( -1.485 0.000 -4.601) 4.835 5.872 ( 3.818 0.000 0.835) 3.908 5.902 ( 2.224 0.000 -9.076) 9.344 5.939 ( -3.299 0.000 -0.265) 3.310 5.982 ( -6.020 0.000 -4.849) 7.730 6.825 ( 7.285 0.000 -0.719) 7.321 6.926 ( 0.605 0.000 -11.493) 11.509 6.944 ( 2.726 0.000 -2.649) 3.801 7.098 ( -8.428 0.000 -11.361) 14.146 7.288 ( 2.447 0.000 -2.485) 3.488 7.344 ( -3.677 0.000 -2.361) 4.369 7.884 ( 4.277 0.000 -4.339) 6.092 7.908 ( 8.986 0.000 -5.470) 10.520 7.929 ( -0.333 0.000 -2.333) 2.357 7.989 ( 9.859 0.000 -12.273) 15.743 8.077 ( -9.255 0.000 -3.269) 9.815 8.139 ( -5.395 0.000 -10.725) 12.005 8.668 ( 4.529 0.000 -1.565) 4.792 8.736 ( -2.921 0.000 -0.160) 2.925 9.201 ( 5.515 0.000 5.794) 7.999 9.368 ( -12.758 0.000 3.139) 13.138 11.472 ( 3.815 0.000 4.227) 5.694 11.552 ( -4.760 0.000 3.111) 5.686 12.019 ( 3.651 0.000 3.369) 4.968 12.077 ( -2.633 0.000 2.733) 3.795 13.279 ( 1.730 0.000 7.477) 7.675 13.302 ( -0.173 0.000 6.668) 6.670 13.939 ( 4.130 0.000 5.521) 6.894 14.027 ( -4.721 0.000 4.394) 6.450 15.205 ( 0.202 0.000 -0.135) 0.243 15.209 ( -0.211 0.000 -0.152) 0.260 16.007 ( 2.465 0.000 -3.322) 4.136 16.033 ( 0.253 0.000 -1.144) 1.171 16.037 ( -0.239 0.000 -1.225) 1.248 16.054 ( -2.499 0.000 -3.017) 3.918 16.118 ( 3.875 0.000 -4.792) 6.163 16.188 ( -3.065 0.000 -6.249) 6.960 17.388 ( 1.686 0.000 -0.038) 1.687 17.431 ( -2.878 0.000 0.941) 3.028 17.741 ( 2.110 0.000 1.576) 2.634 17.798 ( -4.361 0.000 2.246) 4.906 26.854 ( 0.357 0.000 -0.041) 0.360 26.861 ( -0.427 0.000 -0.394) 0.581 27.017 ( 0.798 0.000 0.024) 0.798 27.031 ( -0.725 0.000 -0.090) 0.730 27.280 ( 2.115 0.000 5.396) 5.796 27.321 ( -2.281 0.000 5.238) 5.713 28.273 ( 2.588 0.000 -6.170) 6.691 28.321 ( -2.447 0.000 -6.473) 6.920 29.039 ( 7.311 0.000 2.594) 7.758 29.182 ( -7.442 0.000 2.174) 7.753 30.065 ( 17.726 0.000 -5.870) 18.673 30.342 ( -11.382 0.000 -1.776) 11.519 30.954 ( -0.470 0.000 8.546) 8.558 30.989 ( -4.890 0.000 7.129) 8.645 32.140 ( 13.639 0.000 -1.548) 13.727 32.370 ( -11.414 0.000 -1.385) 11.498 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 13.912 23.856) 27.616 1.346 ( 0.000 8.500 25.392) 26.776 2.009 ( 0.000 13.348 0.515) 13.358 2.071 ( 0.000 2.200 3.397) 4.047 2.199 ( 0.000 13.836 22.893) 26.749 2.349 ( 0.000 13.471 11.406) 17.651 2.821 ( 0.000 -6.515 -3.714) 7.499 2.826 ( 0.000 -5.105 -3.237) 6.045 2.945 ( 0.000 0.807 -4.346) 4.420 3.073 ( 0.000 9.449 -8.532) 12.731 3.095 ( 0.000 -0.076 -5.733) 5.733 3.384 ( 0.000 11.965 -7.539) 14.142 3.502 ( 0.000 2.774 2.913) 4.022 3.686 ( 0.000 2.165 2.616) 3.395 3.832 ( 0.000 8.109 0.489) 8.124 4.182 ( 0.000 -5.483 5.454) 7.734 4.357 ( 0.000 -6.922 16.007) 17.440 4.386 ( 0.000 1.117 -0.200) 1.135 4.592 ( 0.000 -2.084 -2.847) 3.529 4.601 ( 0.000 -9.915 -9.045) 13.421 4.662 ( 0.000 6.385 7.854) 10.122 4.716 ( 0.000 4.129 9.626) 10.475 4.806 ( 0.000 7.726 3.124) 8.334 4.928 ( 0.000 0.408 3.300) 3.326 5.251 ( 0.000 2.888 0.333) 2.907 5.406 ( 0.000 -2.356 -3.275) 4.034 5.484 ( 0.000 2.540 0.228) 2.550 5.573 ( 0.000 10.888 -8.186) 13.622 5.625 ( 0.000 -7.310 -4.529) 8.599 5.937 ( 0.000 -5.922 0.907) 5.991 6.128 ( 0.000 11.051 -10.646) 15.345 6.222 ( 0.000 3.139 -1.877) 3.657 6.621 ( 0.000 -8.081 -11.841) 14.336 6.636 ( 0.000 -0.640 -5.455) 5.492 6.964 ( 0.000 -5.506 -0.669) 5.547 7.061 ( 0.000 -10.881 -2.144) 11.091 7.228 ( 0.000 -16.955 -4.187) 17.465 7.316 ( 0.000 5.858 -3.281) 6.715 7.632 ( 0.000 -12.026 -2.221) 12.229 7.708 ( 0.000 2.799 -12.010) 12.331 7.845 ( 0.000 0.767 -1.903) 2.051 8.020 ( 0.000 12.286 -3.543) 12.786 8.146 ( 0.000 -3.008 2.652) 4.010 8.370 ( 0.000 3.713 2.332) 4.384 8.530 ( 0.000 0.171 -7.532) 7.534 8.760 ( 0.000 -2.236 -1.647) 2.777 9.116 ( 0.000 -2.151 4.659) 5.132 9.713 ( 0.000 -8.445 -7.608) 11.367 11.422 ( 0.000 2.588 5.077) 5.698 11.716 ( 0.000 2.755 0.135) 2.758 11.905 ( 0.000 -0.372 5.931) 5.943 12.108 ( 0.000 -2.405 2.417) 3.410 13.241 ( 0.000 2.609 4.666) 5.346 13.284 ( 0.000 3.650 6.739) 7.664 13.861 ( 0.000 -3.754 7.257) 8.171 14.076 ( 0.000 -3.554 3.766) 5.179 15.208 ( 0.000 1.023 0.029) 1.023 15.302 ( 0.000 7.881 -4.017) 8.846 15.905 ( 0.000 -2.621 -0.509) 2.670 15.952 ( 0.000 -4.322 -1.395) 4.541 16.072 ( 0.000 2.422 -1.690) 2.954 16.094 ( 0.000 2.947 -2.061) 3.597 16.149 ( 0.000 0.007 -0.186) 0.186 16.214 ( 0.000 0.032 -8.080) 8.080 17.374 ( 0.000 1.136 -1.348) 1.762 17.504 ( 0.000 -0.187 0.175) 0.256 17.698 ( 0.000 -0.816 0.968) 1.266 17.829 ( 0.000 -12.456 4.299) 13.177 26.847 ( 0.000 0.397 0.652) 0.763 26.860 ( 0.000 -0.987 -0.485) 1.100 26.990 ( 0.000 -0.657 0.367) 0.752 27.033 ( 0.000 -1.098 -0.103) 1.103 27.420 ( 0.000 5.481 4.324) 6.982 27.624 ( 0.000 31.458 -8.571) 32.605 28.149 ( 0.000 -6.146 -3.856) 7.256 28.391 ( 0.000 1.855 -6.718) 6.969 28.922 ( 0.000 1.172 2.494) 2.755 29.317 ( 0.000 7.949 -4.937) 9.357 29.666 ( 0.000 3.345 3.987) 5.204 30.508 ( 0.000 0.915 3.751) 3.861 31.003 ( 0.000 0.755 9.452) 9.482 31.295 ( 0.000 -3.381 14.347) 14.740 31.551 ( 0.000 -11.315 -5.218) 12.460 32.402 ( 0.000 -20.138 0.385) 20.141 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 6.836 12.518 23.130) 27.174 1.386 ( 6.594 9.083 21.959) 24.661 1.935 ( -8.288 8.791 7.484) 14.213 2.014 ( -6.119 7.219 2.265) 9.731 2.276 ( 6.316 9.966 6.900) 13.668 2.457 ( 11.798 12.836 17.822) 24.931 2.729 ( -5.982 -0.168 -7.124) 9.304 2.835 ( 1.843 -4.233 -4.165) 6.218 2.922 ( -9.056 4.164 -6.507) 11.903 3.064 ( 7.300 -1.494 2.375) 7.820 3.180 ( 3.484 4.042 -6.494) 8.405 3.313 ( -4.307 8.245 -6.519) 11.359 3.557 ( 3.490 6.324 -0.140) 7.224 3.740 ( 4.848 1.451 3.943) 6.415 3.852 ( 0.116 5.838 -0.056) 5.839 4.152 ( -5.199 -2.403 6.434) 8.613 4.271 ( -3.513 -4.369 13.802) 14.897 4.379 ( -4.937 -1.534 6.625) 8.403 4.526 ( -0.502 -3.176 -8.397) 8.991 4.616 ( 1.471 -5.469 -1.487) 5.856 4.649 ( 1.486 8.291 8.835) 12.207 4.760 ( -3.723 6.503 2.919) 8.042 4.847 ( 7.043 0.656 1.715) 7.278 4.992 ( 3.912 -1.095 0.649) 4.114 5.241 ( -0.346 2.780 2.609) 3.828 5.375 ( -2.852 -0.387 -1.589) 3.287 5.477 ( -0.498 2.166 -1.607) 2.742 5.566 ( -1.126 9.620 -7.489) 12.243 5.631 ( 1.092 -7.912 -4.102) 8.979 5.901 ( -4.277 -6.572 0.964) 7.900 6.089 ( -2.668 9.318 -7.466) 12.235 6.170 ( -3.686 4.651 -2.761) 6.545 6.647 ( 5.996 -4.806 -6.023) 9.764 6.731 ( 4.776 -6.268 -9.893) 12.648 6.947 ( -1.957 -5.116 0.207) 5.481 7.072 ( -1.810 -11.411 -7.412) 13.727 7.249 ( 3.133 -13.057 -3.703) 13.928 7.325 ( 0.812 5.084 -2.946) 5.932 7.679 ( 2.830 -8.603 -6.486) 11.140 7.710 ( 3.405 -2.708 -9.242) 10.214 7.867 ( 1.240 0.268 -1.815) 2.214 8.055 ( 3.613 10.161 -5.401) 12.061 8.134 ( -1.475 -2.295 1.100) 2.942 8.311 ( -4.636 5.225 -0.172) 6.987 8.583 ( 4.271 -0.270 -4.817) 6.444 8.748 ( -1.212 -2.068 -1.924) 3.074 9.130 ( 1.780 -1.716 4.670) 5.284 9.586 ( -11.979 -5.445 -3.647) 13.654 11.446 ( 2.469 2.890 4.745) 6.080 11.670 ( -4.182 2.885 1.645) 5.341 11.943 ( 3.320 -0.643 4.609) 5.717 12.095 ( -1.355 -2.309 2.556) 3.701 13.268 ( 1.956 2.075 5.802) 6.465 13.300 ( 1.543 2.943 6.302) 7.124 13.865 ( 0.919 -3.148 6.866) 7.609 14.057 ( -2.209 -3.623 3.837) 5.721 15.213 ( 0.490 1.349 0.003) 1.435 15.283 ( -1.789 6.542 -2.526) 7.237 15.930 ( 2.296 -2.865 -2.160) 4.260 15.958 ( 0.603 -4.388 -1.427) 4.653 16.067 ( -0.420 2.138 -1.590) 2.698 16.105 ( 1.127 2.716 -2.553) 3.894 16.123 ( -2.180 0.827 -1.675) 2.871 16.214 ( -0.524 -0.446 -6.733) 6.768 17.379 ( 0.572 1.111 -0.974) 1.584 17.482 ( -2.191 -0.075 0.716) 2.307 17.703 ( 0.500 -1.183 1.129) 1.710 17.794 ( -3.031 -9.253 3.931) 10.500 26.846 ( -0.059 0.155 0.600) 0.623 26.856 ( -0.359 -0.849 -0.303) 0.970 26.995 ( 0.566 -0.698 0.242) 0.931 27.030 ( -0.318 -1.033 -0.121) 1.087 27.417 ( -0.232 6.513 4.213) 7.760 27.548 ( -6.155 24.422 -2.825) 25.343 28.175 ( 2.584 -5.320 -4.048) 7.167 28.375 ( -2.166 1.577 -6.673) 7.191 28.965 ( 5.189 3.233 1.878) 6.396 29.375 ( 0.101 10.209 -3.308) 10.732 29.748 ( 11.833 -0.287 -1.667) 11.954 30.478 ( -3.949 0.426 2.133) 4.509 30.988 ( -1.506 0.933 9.391) 9.557 31.116 ( -11.145 -3.267 8.859) 14.607 31.764 ( 15.044 -10.571 -0.497) 18.393 32.353 ( -5.215 -18.083 1.014) 18.847 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 10.410 7.593 19.586) 23.444 1.588 ( 11.955 10.240 14.698) 21.536 1.738 ( -11.050 7.903 13.163) 18.916 1.845 ( -11.746 11.001 7.685) 17.834 2.418 ( 8.879 8.189 -2.658) 12.368 2.571 ( -5.716 3.399 -3.252) 7.403 2.689 ( 3.970 3.904 -2.351) 6.044 2.772 ( -5.804 0.116 -7.571) 9.541 2.963 ( 11.549 2.647 8.215) 14.418 3.115 ( -2.876 0.529 9.722) 10.153 3.238 ( 3.055 4.527 -8.214) 9.863 3.279 ( -0.371 8.786 -9.778) 13.151 3.606 ( 2.775 5.394 2.320) 6.494 3.727 ( -9.800 3.418 4.844) 11.453 3.867 ( 6.654 0.727 6.260) 9.164 4.009 ( -8.343 -1.068 9.156) 12.433 4.269 ( 2.949 -0.893 8.883) 9.402 4.324 ( -2.028 -4.448 2.867) 5.667 4.568 ( 4.118 1.069 -5.891) 7.266 4.637 ( -0.436 -3.322 -0.918) 3.474 4.669 ( 0.233 6.134 7.196) 9.458 4.681 ( -3.580 7.089 2.486) 8.322 4.950 ( 4.233 -1.311 -0.015) 4.431 5.009 ( -1.889 -2.418 -1.185) 3.289 5.266 ( 2.817 2.662 4.509) 5.946 5.320 ( -2.896 1.544 1.663) 3.679 5.481 ( 1.332 3.474 -4.201) 5.611 5.525 ( -2.933 6.228 -6.186) 9.255 5.682 ( 4.523 -7.950 -2.365) 9.447 5.790 ( -6.757 -7.838 0.152) 10.349 6.075 ( 1.124 7.361 -4.817) 8.868 6.114 ( -2.661 6.437 -4.250) 8.159 6.783 ( 6.996 -4.776 -2.383) 8.799 6.816 ( 5.043 -9.965 -10.771) 15.516 6.895 ( -2.977 -4.504 0.418) 5.415 6.973 ( -7.619 -11.211 -9.057) 16.302 7.311 ( 2.500 -3.803 -3.965) 6.036 7.334 ( -0.147 2.621 -3.025) 4.006 7.715 ( 3.071 -7.257 -9.375) 12.247 7.775 ( -1.643 -10.149 -7.280) 12.598 7.933 ( 7.842 -1.576 -5.255) 9.570 8.066 ( -5.095 -4.615 -5.711) 8.937 8.148 ( 4.603 10.625 -2.737) 11.899 8.230 ( -4.214 8.137 -1.873) 9.353 8.659 ( 3.672 -0.989 -3.126) 4.923 8.715 ( -2.434 -1.620 -2.433) 3.804 9.195 ( 5.798 -0.985 4.266) 7.265 9.355 ( -11.447 -1.733 1.819) 11.719 11.506 ( 3.915 3.241 4.125) 6.545 11.586 ( -4.657 3.177 3.186) 6.476 12.007 ( 3.298 -1.315 3.422) 4.931 12.060 ( -2.423 -1.949 2.844) 4.215 13.299 ( 1.504 2.076 7.190) 7.634 13.317 ( -0.149 1.863 6.878) 7.128 13.911 ( 3.995 -2.889 5.445) 7.346 13.994 ( -4.447 -3.331 4.354) 7.059 15.226 ( 0.973 2.334 -0.163) 2.534 15.250 ( -1.613 4.117 -0.806) 4.495 15.966 ( 1.164 -3.206 -2.554) 4.261 15.972 ( 0.638 -4.497 -2.045) 4.981 16.065 ( 0.470 1.911 -2.093) 2.872 16.086 ( -1.673 1.740 -2.522) 3.491 16.137 ( 2.382 1.443 -4.006) 4.879 16.185 ( -2.472 -0.208 -5.635) 6.157 17.397 ( 1.491 0.939 -0.013) 1.762 17.435 ( -2.540 0.444 0.907) 2.734 17.717 ( 1.066 -2.362 1.605) 3.048 17.744 ( -2.066 -4.815 2.591) 5.845 26.846 ( 0.069 -0.296 0.414) 0.513 26.849 ( -0.301 -0.622 0.080) 0.695 27.008 ( 0.768 -0.772 0.017) 1.089 27.022 ( -0.631 -0.889 -0.114) 1.096 27.419 ( 0.792 9.486 3.844) 10.266 27.456 ( -3.417 14.980 2.343) 15.542 28.237 ( 3.988 -3.495 -4.545) 6.984 28.314 ( -4.097 -0.868 -5.515) 6.925 29.103 ( 9.162 6.674 0.981) 11.378 29.275 ( -8.747 9.191 0.306) 12.692 30.051 ( 17.698 -1.572 -6.236) 18.831 30.333 ( -12.088 -1.000 -2.490) 12.382 30.961 ( -0.882 0.827 9.034) 9.115 30.979 ( -3.580 -0.732 7.838) 8.648 32.020 ( 12.472 -11.745 0.826) 17.151 32.219 ( -9.125 -14.385 1.498) 17.101 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.000 14.540 21.068) 25.598 1.570 ( 0.000 14.207 18.931) 23.669 2.173 ( 0.000 8.328 1.024) 8.391 2.311 ( 0.000 15.697 3.931) 16.182 2.471 ( 0.000 11.036 4.654) 11.977 2.612 ( 0.000 0.412 8.869) 8.879 2.681 ( 0.000 -6.953 -1.402) 7.093 2.815 ( 0.000 16.839 8.640) 18.926 2.971 ( 0.000 1.719 1.444) 2.245 3.043 ( 0.000 -5.328 -3.350) 6.294 3.312 ( 0.000 13.536 -6.543) 15.035 3.568 ( 0.000 4.265 5.286) 6.792 3.624 ( 0.000 8.019 1.640) 8.185 3.785 ( 0.000 9.778 -4.383) 10.715 3.984 ( 0.000 6.048 -6.270) 8.712 4.106 ( 0.000 -1.640 2.678) 3.141 4.226 ( 0.000 -5.297 1.186) 5.428 4.387 ( 0.000 -1.176 -0.670) 1.354 4.480 ( 0.000 0.909 1.874) 2.083 4.530 ( 0.000 -4.122 -2.562) 4.854 4.768 ( 0.000 -1.726 -0.815) 1.909 4.797 ( 0.000 6.906 6.978) 9.818 4.963 ( 0.000 4.538 11.592) 12.448 4.981 ( 0.000 9.502 4.330) 10.442 5.147 ( 0.000 -8.374 -0.166) 8.375 5.423 ( 0.000 -2.083 -1.906) 2.824 5.436 ( 0.000 -6.924 -2.060) 7.224 5.634 ( 0.000 9.910 -9.358) 13.630 5.821 ( 0.000 -4.396 0.962) 4.500 5.838 ( 0.000 13.289 -3.456) 13.731 6.285 ( 0.000 4.651 -9.700) 10.757 6.286 ( 0.000 2.969 -2.527) 3.899 6.451 ( 0.000 -8.521 -11.775) 14.535 6.616 ( 0.000 -1.502 -5.398) 5.603 6.811 ( 0.000 -10.324 1.137) 10.386 6.820 ( 0.000 -12.690 1.448) 12.773 6.931 ( 0.000 -12.454 -4.518) 13.248 7.345 ( 0.000 -16.939 -4.405) 17.503 7.447 ( 0.000 7.427 -4.323) 8.594 7.758 ( 0.000 1.888 -13.202) 13.337 7.861 ( 0.000 0.990 -3.247) 3.394 8.126 ( 0.000 0.841 6.585) 6.638 8.172 ( 0.000 3.675 5.514) 6.626 8.436 ( 0.000 -9.344 -2.089) 9.575 8.517 ( 0.000 10.878 -3.750) 11.506 8.735 ( 0.000 -0.351 -6.138) 6.148 9.056 ( 0.000 -3.879 0.922) 3.987 9.523 ( 0.000 -10.907 -4.611) 11.842 11.494 ( 0.000 4.933 4.940) 6.981 11.772 ( 0.000 2.753 1.285) 3.038 11.895 ( 0.000 -0.732 5.832) 5.878 12.026 ( 0.000 -5.965 3.394) 6.863 13.312 ( 0.000 4.693 5.143) 6.962 13.383 ( 0.000 6.371 5.709) 8.554 13.771 ( 0.000 -5.415 7.287) 9.079 13.979 ( 0.000 -6.346 3.702) 7.347 15.251 ( 0.000 3.746 0.214) 3.752 15.458 ( 0.000 7.299 -6.513) 9.782 15.851 ( 0.000 -2.913 -0.441) 2.946 15.861 ( 0.000 -5.224 -1.191) 5.359 16.118 ( 0.000 2.153 -2.168) 3.055 16.142 ( 0.000 1.974 -2.080) 2.867 16.150 ( 0.000 0.163 -0.957) 0.971 16.213 ( 0.000 -0.151 -6.916) 6.917 17.402 ( 0.000 1.678 -0.635) 1.794 17.497 ( 0.000 -0.560 0.207) 0.597 17.630 ( 0.000 -6.969 5.454) 8.849 17.674 ( 0.000 -1.714 0.894) 1.933 26.852 ( 0.000 0.275 -0.044) 0.279 26.860 ( 0.000 1.016 0.459) 1.115 26.972 ( 0.000 -1.228 0.499) 1.325 27.006 ( 0.000 -1.729 -0.099) 1.732 27.538 ( 0.000 6.527 4.070) 7.692 28.015 ( 0.000 -7.226 -0.670) 7.256 28.186 ( 0.000 22.698 -18.556) 29.318 28.435 ( 0.000 2.505 -6.483) 6.950 28.981 ( 0.000 5.848 0.699) 5.889 29.434 ( 0.000 2.769 -5.287) 5.968 29.810 ( 0.000 11.884 0.566) 11.898 30.527 ( 0.000 0.629 2.220) 2.308 31.029 ( 0.000 1.790 9.686) 9.850 31.215 ( 0.000 -4.309 14.199) 14.838 31.279 ( 0.000 -15.333 4.424) 15.959 31.994 ( 0.000 -20.626 5.754) 21.413 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 3.215 14.017 18.191) 23.189 1.625 ( 8.119 13.657 19.086) 24.834 2.099 ( -7.486 9.771 4.311) 13.042 2.247 ( -6.810 13.516 6.518) 16.479 2.497 ( 3.027 9.421 1.758) 10.050 2.592 ( -1.764 -3.079 2.510) 4.346 2.688 ( -0.599 -6.648 -0.807) 6.724 2.874 ( 8.231 14.449 4.938) 17.347 2.981 ( -5.870 -2.173 -1.645) 6.472 3.091 ( 9.112 6.281 5.127) 12.197 3.289 ( -1.089 9.545 -3.340) 10.171 3.532 ( -1.803 12.238 -3.817) 12.945 3.690 ( 4.091 5.087 3.222) 7.280 3.793 ( 1.237 4.322 0.994) 4.604 3.983 ( -1.431 7.275 -4.489) 8.667 4.105 ( -4.639 -2.084 1.445) 5.287 4.197 ( 3.372 -1.342 -0.725) 3.701 4.397 ( -6.441 4.212 4.662) 8.998 4.467 ( 5.972 -1.757 -0.700) 6.264 4.541 ( 1.108 -3.287 -1.176) 3.662 4.794 ( 1.156 -4.492 -2.365) 5.206 4.797 ( -0.356 5.344 5.951) 8.006 4.915 ( -2.680 6.203 9.031) 11.279 4.998 ( -0.220 2.979 3.119) 4.318 5.188 ( 4.598 -4.016 3.172) 6.880 5.376 ( -2.231 -2.278 -0.882) 3.308 5.466 ( 0.651 -4.900 -3.081) 5.825 5.634 ( 0.418 9.958 -6.901) 12.123 5.778 ( -5.032 -5.271 4.738) 8.692 5.813 ( -2.409 13.268 -7.368) 15.367 6.205 ( -5.302 2.334 -6.321) 8.573 6.252 ( -2.767 3.634 -2.525) 5.220 6.502 ( 4.103 -8.873 -10.303) 14.203 6.624 ( 1.669 -5.252 -3.254) 6.400 6.792 ( -0.957 -11.027 0.036) 11.069 6.855 ( -4.147 -9.236 -2.908) 10.534 6.995 ( 10.497 -11.721 -5.032) 16.519 7.406 ( 4.120 -8.472 -5.882) 11.106 7.449 ( 1.471 -1.138 -4.467) 4.838 7.703 ( -4.389 -0.205 -11.439) 12.254 7.892 ( 2.152 1.697 -5.340) 6.002 8.077 ( -3.684 0.218 2.419) 4.413 8.218 ( 3.337 3.333 6.562) 8.081 8.379 ( -3.459 -2.654 0.797) 4.432 8.588 ( 4.895 5.204 -5.750) 9.171 8.730 ( -0.641 0.218 -6.406) 6.441 9.076 ( 2.320 -3.867 1.181) 4.662 9.447 ( -7.451 -8.723 -3.123) 11.890 11.521 ( 2.655 4.809 4.709) 7.235 11.732 ( -3.580 3.260 2.566) 5.480 11.924 ( 2.388 -1.435 4.633) 5.406 12.019 ( -0.733 -5.496 3.381) 6.494 13.330 ( 1.611 4.350 5.683) 7.336 13.385 ( 0.122 5.820 5.969) 8.338 13.784 ( 1.552 -5.123 6.659) 8.543 13.961 ( -2.066 -6.264 3.815) 7.620 15.264 ( 1.321 4.184 0.137) 4.390 15.424 ( -3.300 7.373 -4.484) 9.239 15.850 ( 0.617 -5.370 -1.026) 5.501 15.880 ( 1.116 -3.841 -1.813) 4.392 16.108 ( -0.784 1.974 -1.929) 2.869 16.139 ( -0.961 1.010 -2.051) 2.481 16.148 ( 0.494 1.585 -2.212) 2.766 16.205 ( -0.945 -0.507 -6.081) 6.175 17.407 ( 0.549 1.713 -0.380) 1.839 17.482 ( -1.435 0.220 0.610) 1.575 17.635 ( 0.500 -6.223 4.183) 7.515 17.671 ( -0.314 -2.123 0.984) 2.361 26.850 ( -0.122 0.470 0.111) 0.498 26.859 ( -0.183 1.018 0.463) 1.133 26.977 ( 0.506 -1.259 0.331) 1.396 27.004 ( -0.206 -1.680 -0.106) 1.696 27.555 ( 1.957 7.530 3.764) 8.643 27.986 ( -11.830 14.779 -7.478) 20.354 28.067 ( 1.181 -2.305 -2.457) 3.570 28.406 ( -4.776 1.254 -6.326) 8.025 29.077 ( 9.500 8.739 -1.434) 12.988 29.581 ( 8.798 7.470 -8.231) 14.176 29.772 ( 0.375 5.393 -0.143) 5.408 30.478 ( -5.981 -0.924 0.164) 6.054 31.011 ( -2.150 -0.149 9.053) 9.306 31.051 ( -6.275 -0.911 11.018) 12.712 31.507 ( 13.732 -14.656 7.063) 21.290 31.970 ( -2.725 -20.028 5.738) 21.012 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 7.930 12.696 15.315) 21.416 1.792 ( 5.587 11.156 14.415) 19.065 1.951 ( -4.144 12.912 10.679) 17.261 2.080 ( -10.670 12.173 10.334) 19.205 2.551 ( 1.516 -0.296 -1.590) 2.217 2.568 ( -0.721 -1.341 -0.777) 1.709 2.704 ( 4.301 -0.925 -2.371) 4.997 2.837 ( -8.642 1.987 -3.184) 9.422 3.056 ( 8.933 5.944 2.127) 10.939 3.162 ( -2.324 5.812 4.191) 7.533 3.374 ( 9.258 11.758 -0.079) 14.965 3.497 ( -3.185 12.790 -8.452) 15.658 3.744 ( 2.870 6.574 3.144) 7.832 3.814 ( -1.685 2.266 5.505) 6.187 3.923 ( -1.073 8.129 1.208) 8.288 3.994 ( -6.559 1.523 4.169) 7.919 4.279 ( 3.641 2.138 -2.028) 4.684 4.320 ( -1.781 3.386 0.498) 3.858 4.565 ( 3.901 0.595 0.807) 4.028 4.578 ( 2.435 -2.870 1.366) 4.004 4.758 ( -2.569 -2.070 0.482) 3.335 4.766 ( -3.416 -1.488 1.086) 3.881 4.922 ( 2.783 2.814 5.331) 6.640 4.972 ( -2.285 1.625 3.468) 4.460 5.291 ( 5.184 -0.037 3.844) 6.454 5.347 ( -1.448 0.290 0.896) 1.727 5.486 ( 3.351 -4.592 -2.228) 6.105 5.604 ( -6.963 1.402 1.044) 7.179 5.700 ( 0.900 3.971 -2.422) 4.738 5.755 ( -3.640 10.592 -5.911) 12.664 6.161 ( 0.482 1.440 -3.357) 3.684 6.199 ( -2.946 2.360 -3.229) 4.967 6.580 ( 5.223 -12.062 -7.290) 15.031 6.666 ( -0.371 -8.295 -4.375) 9.385 6.748 ( -2.410 -10.562 -3.922) 11.522 6.775 ( -2.706 -7.706 0.070) 8.167 7.198 ( 10.586 -6.371 -6.477) 13.950 7.363 ( -6.585 0.143 -5.383) 8.507 7.553 ( 5.701 -10.673 -8.332) 14.692 7.630 ( -3.414 -4.821 -10.129) 11.726 7.935 ( 3.019 1.781 -5.501) 6.523 8.005 ( -4.136 -0.397 -3.187) 5.237 8.278 ( 3.045 2.241 5.818) 6.939 8.327 ( -2.457 0.225 4.017) 4.715 8.665 ( 3.330 3.566 -7.231) 8.723 8.710 ( -1.631 1.767 -7.087) 7.484 9.149 ( 5.852 -3.961 1.189) 7.165 9.288 ( -8.841 -5.340 -0.415) 10.337 11.583 ( 3.885 4.568 4.282) 7.369 11.658 ( -4.188 4.070 3.673) 6.899 11.966 ( 2.116 -2.876 3.729) 5.163 11.999 ( -1.417 -4.348 3.417) 5.709 13.360 ( 1.505 4.322 6.524) 7.969 13.381 ( -0.700 4.804 6.557) 8.159 13.832 ( 3.637 -5.140 5.293) 8.226 13.905 ( -3.821 -5.782 4.287) 8.149 15.299 ( 2.512 5.329 -0.287) 5.898 15.356 ( -3.617 6.676 -1.649) 7.769 15.872 ( 1.409 -5.938 -1.751) 6.349 15.889 ( -0.254 -4.876 -2.204) 5.357 16.102 ( 0.338 1.887 -2.508) 3.157 16.118 ( -1.218 1.609 -2.787) 3.441 16.160 ( 0.850 0.838 -3.053) 3.278 16.181 ( -1.399 -0.253 -4.469) 4.689 17.423 ( 1.226 1.749 0.150) 2.141 17.451 ( -1.731 1.353 0.637) 2.287 17.647 ( 0.813 -4.683 2.392) 5.321 17.662 ( -0.678 -3.185 1.389) 3.540 26.850 ( 0.117 0.803 0.344) 0.881 26.854 ( -0.295 1.008 0.459) 1.146 26.988 ( 0.635 -1.370 0.059) 1.511 26.998 ( -0.460 -1.541 -0.084) 1.610 27.619 ( 5.225 10.430 2.546) 11.940 27.759 ( -10.302 14.665 -0.915) 17.945 28.153 ( 6.385 -4.943 -1.781) 8.269 28.284 ( -7.473 -2.265 -3.559) 8.582 29.285 ( 12.214 11.756 -2.612) 17.153 29.503 ( -10.804 13.710 -2.839) 17.685 30.002 ( 17.294 -3.649 -6.990) 19.006 30.294 ( -13.634 -3.411 -4.161) 14.657 30.976 ( -0.226 0.836 9.562) 9.601 30.995 ( -1.831 3.053 10.089) 10.698 31.734 ( 10.488 -16.781 5.964) 20.668 31.888 ( -6.317 -18.552 5.682) 20.405 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.000 15.343 14.533) 21.133 1.861 ( 0.000 15.227 12.521) 19.714 2.361 ( 0.000 7.999 1.067) 8.070 2.403 ( 0.000 -7.850 2.678) 8.294 2.461 ( 0.000 -6.724 5.281) 8.550 2.657 ( 0.000 7.379 4.680) 8.737 2.683 ( 0.000 5.659 3.777) 6.804 2.904 ( 0.000 -8.463 -0.213) 8.466 3.023 ( 0.000 5.195 8.907) 10.312 3.214 ( 0.000 16.574 0.309) 16.577 3.406 ( 0.000 -4.072 10.436) 11.202 3.617 ( 0.000 -5.423 5.053) 7.412 3.799 ( 0.000 19.339 -0.943) 19.362 4.002 ( 0.000 7.335 -6.200) 9.604 4.070 ( 0.000 5.501 -11.537) 12.782 4.115 ( 0.000 1.384 -1.589) 2.107 4.217 ( 0.000 3.732 -6.479) 7.477 4.343 ( 0.000 -3.202 -2.567) 4.104 4.455 ( 0.000 -2.872 -1.530) 3.255 4.605 ( 0.000 5.936 6.203) 8.586 4.673 ( 0.000 -3.686 -2.012) 4.200 4.897 ( 0.000 2.860 4.009) 4.924 4.982 ( 0.000 -4.085 3.337) 5.275 5.062 ( 0.000 4.004 8.601) 9.488 5.193 ( 0.000 5.602 -0.155) 5.604 5.252 ( 0.000 -10.116 0.199) 10.118 5.376 ( 0.000 1.590 2.681) 3.117 5.715 ( 0.000 -7.017 3.996) 8.075 5.885 ( 0.000 14.036 -10.687) 17.641 6.086 ( 0.000 11.143 -4.680) 12.086 6.271 ( 0.000 -5.759 -12.007) 13.316 6.303 ( 0.000 -2.246 -7.470) 7.800 6.365 ( 0.000 0.831 -2.232) 2.381 6.555 ( 0.000 -6.092 -4.243) 7.424 6.632 ( 0.000 -6.166 -2.368) 6.605 6.637 ( 0.000 -4.632 1.385) 4.835 6.758 ( 0.000 -5.628 -0.692) 5.670 7.012 ( 0.000 -16.842 -4.818) 17.517 7.602 ( 0.000 8.498 -5.726) 10.247 7.775 ( 0.000 -0.213 -11.906) 11.908 7.888 ( 0.000 2.219 -2.646) 3.453 8.146 ( 0.000 -2.173 6.684) 7.028 8.210 ( 0.000 1.016 7.162) 7.234 8.234 ( 0.000 -7.914 0.741) 7.949 8.717 ( 0.000 7.972 -3.107) 8.556 8.737 ( 0.000 0.669 -6.602) 6.635 8.994 ( 0.000 -0.897 -4.455) 4.544 9.305 ( 0.000 -11.610 -4.480) 12.444 11.607 ( 0.000 6.667 4.786) 8.207 11.818 ( 0.000 2.068 2.922) 3.579 11.877 ( 0.000 -1.089 5.361) 5.471 11.893 ( 0.000 -7.555 4.211) 8.650 13.415 ( 0.000 5.873 5.611) 8.123 13.518 ( 0.000 7.358 4.714) 8.739 13.661 ( 0.000 -5.699 6.809) 8.879 13.841 ( 0.000 -7.914 3.811) 8.784 15.354 ( 0.000 6.788 0.053) 6.788 15.554 ( 0.000 1.744 -4.441) 4.771 15.761 ( 0.000 -4.139 -1.141) 4.293 15.796 ( 0.000 -2.814 -0.888) 2.950 16.150 ( 0.000 1.074 -2.462) 2.686 16.154 ( 0.000 0.374 -1.602) 1.645 16.174 ( 0.000 1.344 -2.864) 3.164 16.207 ( 0.000 -0.448 -5.329) 5.347 17.432 ( 0.000 1.404 0.442) 1.472 17.481 ( 0.000 -1.043 0.321) 1.092 17.565 ( 0.000 -0.386 2.463) 2.493 17.634 ( 0.000 -2.376 0.786) 2.503 26.870 ( 0.000 1.527 0.297) 1.556 26.886 ( 0.000 1.672 0.244) 1.690 26.943 ( 0.000 -1.683 0.593) 1.784 26.968 ( 0.000 -2.146 0.022) 2.146 27.659 ( 0.000 5.976 3.679) 7.018 27.884 ( 0.000 -6.354 1.654) 6.566 28.450 ( 0.000 6.233 -13.064) 14.475 28.478 ( 0.000 1.830 -6.667) 6.913 29.150 ( 0.000 10.536 -4.724) 11.547 29.429 ( 0.000 -2.832 -5.289) 5.999 30.077 ( 0.000 14.667 -2.288) 14.844 30.503 ( 0.000 -4.341 -0.867) 4.427 31.031 ( 0.000 -2.712 10.597) 10.939 31.034 ( 0.000 -8.479 11.254) 14.091 31.197 ( 0.000 4.391 12.938) 13.663 31.635 ( 0.000 -16.673 7.570) 18.311 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 2.476 14.839 12.470) 19.540 1.898 ( 6.392 14.660 13.009) 20.616 2.308 ( -5.198 10.028 2.162) 11.500 2.418 ( -0.033 -4.481 3.189) 5.500 2.436 ( -3.081 -4.136 5.609) 7.620 2.556 ( -5.175 -0.152 6.490) 8.302 2.648 ( -4.251 1.476 3.177) 5.508 2.858 ( -4.691 -9.116 1.906) 10.428 3.102 ( 6.931 10.221 3.901) 12.951 3.313 ( 7.339 12.627 -0.181) 14.607 3.415 ( 2.317 -0.352 7.525) 7.882 3.658 ( 3.065 -6.281 5.789) 9.075 3.811 ( 1.318 17.846 -1.824) 17.987 3.939 ( -4.386 9.605 -4.787) 11.594 4.090 ( 3.437 4.602 -9.402) 11.018 4.141 ( -1.883 3.988 -4.035) 5.977 4.253 ( 5.809 4.978 -4.709) 8.983 4.366 ( 1.475 -5.552 -4.538) 7.321 4.445 ( -1.381 -2.960 -1.264) 3.502 4.607 ( 0.072 3.790 6.916) 7.887 4.663 ( -0.979 -2.224 -1.031) 2.640 4.865 ( -3.457 2.838 4.072) 6.049 4.970 ( -0.197 -1.617 3.917) 4.243 5.044 ( -2.078 1.197 6.676) 7.094 5.219 ( 3.944 3.035 2.073) 5.391 5.286 ( 2.426 -5.753 -0.112) 6.245 5.383 ( 0.654 0.774 2.353) 2.562 5.679 ( -4.282 -6.064 4.629) 8.748 5.867 ( -1.083 12.458 -8.313) 15.016 6.051 ( -3.542 10.659 -4.971) 12.283 6.180 ( -5.495 -3.686 -7.338) 9.881 6.300 ( -4.318 -1.422 -3.255) 5.591 6.360 ( 1.222 -2.523 -3.913) 4.814 6.524 ( 1.098 -5.533 -3.759) 6.779 6.607 ( -0.758 -6.480 -1.643) 6.728 6.680 ( -5.289 -8.847 -0.007) 10.308 6.853 ( 13.392 -2.600 -5.887) 14.858 7.125 ( 10.532 -14.582 -6.993) 19.299 7.545 ( -6.235 5.548 -6.109) 10.343 7.689 ( -7.472 -1.421 -10.844) 13.245 7.931 ( 3.323 2.981 -3.982) 5.982 8.119 ( -2.971 3.030 4.544) 6.217 8.214 ( 1.234 -6.857 3.708) 7.892 8.250 ( 0.860 -3.749 5.322) 6.566 8.749 ( 2.175 4.569 -4.803) 6.977 8.757 ( 2.486 6.063 -6.236) 9.046 9.000 ( 0.978 -2.747 -3.550) 4.595 9.261 ( -4.509 -10.415 -3.840) 11.981 11.628 ( 2.123 6.258 4.713) 8.117 11.791 ( -2.482 2.899 3.683) 5.304 11.889 ( 0.818 -2.131 4.636) 5.168 11.895 ( 0.252 -7.064 4.185) 8.215 13.429 ( 1.452 5.864 5.763) 8.349 13.514 ( -0.570 7.318 4.980) 8.870 13.675 ( 1.576 -5.961 6.310) 8.822 13.824 ( -1.743 -7.747 3.937) 8.863 15.374 ( 2.075 7.083 -0.045) 7.381 15.544 ( -1.438 4.314 -3.815) 5.936 15.739 ( -1.125 -5.459 -0.459) 5.593 15.801 ( -0.231 -4.334 -1.653) 4.644 16.139 ( -0.643 1.301 -2.252) 2.679 16.155 ( -0.240 0.521 -2.204) 2.278 16.172 ( -0.229 0.940 -2.717) 2.884 16.196 ( -1.118 -0.448 -4.888) 5.034 17.440 ( 0.834 1.674 0.463) 1.926 17.490 ( 0.597 0.124 0.108) 0.619 17.561 ( -0.194 -1.400 2.331) 2.726 17.625 ( -0.927 -2.594 0.809) 2.871 26.872 ( 0.176 1.672 0.319) 1.711 26.886 ( -0.085 1.747 0.257) 1.768 26.947 ( 0.408 -1.761 0.423) 1.856 26.967 ( -0.119 -2.116 0.008) 2.119 27.692 ( 3.676 6.643 3.307) 8.281 27.926 ( 4.518 -6.088 1.308) 7.694 28.259 ( -14.657 8.412 -6.959) 18.276 28.411 ( -8.538 -0.936 -5.561) 10.232 29.280 ( 11.878 11.242 -5.779) 17.346 29.591 ( 14.885 -3.869 -7.858) 17.271 29.988 ( -8.823 13.828 -2.562) 16.602 30.415 ( -9.148 -6.247 -2.347) 11.323 30.982 ( 0.718 0.245 11.357) 11.382 31.116 ( 0.687 4.049 10.214) 11.008 31.261 ( 7.875 -8.653 12.047) 16.793 31.615 ( -2.254 -16.678 7.782) 18.542 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 6.228 13.784 10.460) 18.390 2.026 ( 4.102 13.113 10.471) 17.275 2.203 ( -2.958 12.778 7.634) 15.176 2.298 ( -8.934 10.664 10.231) 17.269 2.429 ( 1.711 -8.312 1.766) 8.668 2.497 ( -4.891 -7.473 1.888) 9.129 2.632 ( 4.845 -7.195 4.261) 9.665 2.750 ( -6.729 -9.498 2.911) 11.999 3.234 ( 6.731 11.867 0.473) 13.651 3.331 ( -3.367 9.908 0.319) 10.469 3.554 ( 8.755 1.537 1.639) 9.039 3.666 ( -3.056 -2.982 3.286) 5.388 3.847 ( 2.428 12.952 -2.538) 13.420 3.886 ( -1.843 9.823 -2.929) 10.415 4.123 ( 1.647 11.355 -2.137) 11.672 4.150 ( 0.854 10.267 -5.849) 11.847 4.324 ( 1.374 -0.595 -7.332) 7.483 4.366 ( -2.832 0.095 -5.016) 5.761 4.456 ( 5.303 -9.025 0.900) 10.507 4.564 ( -5.001 -8.026 1.490) 9.573 4.688 ( 3.954 6.528 4.908) 9.074 4.779 ( -5.383 4.486 4.683) 8.428 4.985 ( 1.276 -0.436 4.846) 5.030 5.008 ( -1.450 -0.606 5.281) 5.509 5.314 ( 3.862 0.997 3.688) 5.432 5.326 ( 1.786 0.780 0.569) 2.030 5.410 ( 4.113 -2.761 1.750) 5.254 5.553 ( -8.839 -4.033 4.521) 10.716 5.878 ( 2.754 10.101 -5.143) 11.665 5.963 ( -5.623 9.721 -4.949) 12.272 6.133 ( 0.915 -3.667 -3.088) 4.880 6.198 ( -5.409 -2.901 -1.869) 6.416 6.415 ( 4.759 -3.448 -3.234) 6.709 6.524 ( -6.182 -5.005 -3.961) 8.886 6.573 ( 2.258 -8.108 -1.890) 8.626 6.617 ( -2.081 -8.100 -0.876) 8.409 7.116 ( 14.634 -1.254 -8.399) 16.919 7.337 ( 9.273 -9.164 -10.354) 16.649 7.374 ( -9.867 -0.229 -7.062) 12.136 7.534 ( -9.260 -5.475 -10.136) 14.780 7.993 ( 3.367 4.434 -3.074) 6.360 8.056 ( -3.516 4.758 -0.025) 5.916 8.241 ( 1.355 -6.433 4.811) 8.146 8.256 ( -0.208 -4.466 5.968) 7.457 8.784 ( 1.661 5.498 -6.729) 8.847 8.796 ( 0.720 8.614 -6.819) 11.010 9.048 ( 4.573 -6.224 -1.963) 7.969 9.155 ( -6.420 -8.180 -2.505) 10.696 11.678 ( 3.153 5.336 4.549) 7.689 11.737 ( -3.190 4.195 4.264) 6.779 11.899 ( 0.271 -4.363 4.145) 6.025 11.900 ( 0.186 -5.376 4.176) 6.810 13.462 ( 1.929 6.160 5.885) 8.735 13.495 ( -1.503 6.821 5.566) 8.931 13.719 ( 3.076 -6.489 5.238) 8.889 13.779 ( -3.088 -7.202 4.385) 8.980 15.426 ( 3.494 7.702 -0.511) 8.472 15.495 ( -3.614 7.508 -1.834) 8.532 15.744 ( 1.598 -7.302 -1.168) 7.566 15.780 ( -1.873 -6.375 -1.778) 6.878 16.134 ( 0.218 1.480 -2.707) 3.093 16.145 ( -0.721 1.144 -2.780) 3.091 16.168 ( -0.031 0.073 -2.703) 2.705 16.175 ( -0.839 -0.387 -3.592) 3.709 17.462 ( 1.457 2.229 0.445) 2.700 17.487 ( -1.004 2.277 0.264) 2.502 17.571 ( 1.353 -3.285 1.563) 3.881 17.601 ( -1.619 -3.101 0.974) 3.631 26.876 ( 0.332 1.869 0.318) 1.925 26.882 ( -0.270 1.874 0.285) 1.915 26.956 ( 0.477 -1.902 0.148) 1.967 26.964 ( -0.304 -2.030 0.015) 2.052 27.799 ( 8.052 8.237 1.887) 11.673 27.986 ( -10.679 8.482 -1.310) 13.701 28.056 ( 6.156 -4.574 0.119) 7.670 28.226 ( -10.404 -3.815 -2.035) 11.267 29.525 ( 13.959 12.534 -5.677) 19.600 29.771 ( -11.326 13.349 -5.189) 18.259 29.906 ( 15.313 -6.220 -7.112) 17.993 30.193 ( -14.389 -7.308 -5.367) 17.007 31.029 ( 3.450 5.060 10.931) 12.530 31.089 ( -2.737 6.987 10.706) 13.074 31.422 ( 8.299 -14.862 9.800) 19.642 31.548 ( -5.208 -16.359 8.459) 19.139 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 0.000 -1.925 7.440) 7.685 2.069 ( 0.000 1.925 7.440) 7.685 2.252 ( 0.000 -1.571 7.375) 7.541 2.252 ( 0.000 1.571 7.375) 7.541 2.617 ( 0.000 -10.888 2.726) 11.224 2.617 ( 0.000 10.888 2.726) 11.224 2.777 ( 0.000 -5.230 3.761) 6.442 2.777 ( 0.000 5.230 3.761) 6.442 3.202 ( 0.000 -11.216 11.631) 16.158 3.202 ( 0.000 11.216 11.631) 16.158 3.483 ( 0.000 -8.531 0.071) 8.532 3.483 ( 0.000 8.531 0.071) 8.532 4.059 ( 0.000 -1.962 -3.743) 4.226 4.059 ( 0.000 1.962 -3.743) 4.226 4.138 ( 0.000 -0.897 -7.527) 7.580 4.138 ( 0.000 0.897 -7.527) 7.580 4.286 ( 0.000 -2.118 -6.223) 6.574 4.286 ( 0.000 2.118 -6.223) 6.574 4.471 ( 0.000 -6.503 1.484) 6.670 4.471 ( 0.000 6.503 1.484) 6.671 4.832 ( 0.000 -8.879 2.242) 9.158 4.832 ( 0.000 8.879 2.242) 9.158 5.016 ( 0.000 -6.570 5.273) 8.424 5.016 ( 0.000 6.570 5.273) 8.424 5.188 ( 0.000 -2.390 0.937) 2.567 5.188 ( 0.000 2.390 0.937) 2.567 5.537 ( 0.000 -10.948 4.875) 11.984 5.537 ( 0.000 10.948 4.875) 11.984 6.122 ( 0.000 -9.758 -12.329) 15.724 6.122 ( 0.000 9.758 -12.329) 15.724 6.237 ( 0.000 -4.244 -4.997) 6.556 6.237 ( 0.000 4.244 -4.997) 6.556 6.429 ( 0.000 -5.791 -2.472) 6.296 6.429 ( 0.000 5.791 -2.472) 6.296 6.594 ( 0.000 -0.985 -0.014) 0.985 6.594 ( 0.000 0.985 -0.014) 0.985 6.760 ( 0.000 -7.283 -3.492) 8.077 6.760 ( 0.000 7.283 -3.492) 8.077 7.738 ( 0.000 -4.415 -9.673) 10.633 7.738 ( 0.000 4.415 -9.673) 10.633 7.980 ( 0.000 -8.398 0.599) 8.419 7.980 ( 0.000 8.398 0.599) 8.419 8.216 ( 0.000 -0.469 7.000) 7.015 8.216 ( 0.000 0.469 7.000) 7.015 8.763 ( 0.000 -1.468 -4.475) 4.710 8.763 ( 0.000 1.468 -4.475) 4.710 9.092 ( 0.000 -9.893 -5.804) 11.470 9.092 ( 0.000 9.893 -5.804) 11.470 11.745 ( 0.000 -7.593 4.598) 8.877 11.745 ( 0.000 7.593 4.598) 8.877 11.853 ( 0.000 -1.500 4.366) 4.616 11.853 ( 0.000 1.500 4.366) 4.616 13.531 ( 0.000 -5.905 5.926) 8.366 13.531 ( 0.000 5.905 5.926) 8.366 13.685 ( 0.000 -7.945 4.355) 9.060 13.685 ( 0.000 7.945 4.355) 9.060 15.493 ( 0.000 -6.819 -0.983) 6.890 15.493 ( 0.000 6.819 -0.983) 6.890 15.747 ( 0.000 -1.913 -1.693) 2.555 15.747 ( 0.000 1.913 -1.693) 2.555 16.159 ( 0.000 -0.007 -2.360) 2.360 16.159 ( 0.000 0.007 -2.360) 2.360 16.195 ( 0.000 -0.839 -3.825) 3.916 16.195 ( 0.000 0.839 -3.825) 3.916 17.458 ( 0.000 -1.310 0.580) 1.432 17.458 ( 0.000 1.310 0.580) 1.432 17.588 ( 0.000 -2.166 0.942) 2.362 17.588 ( 0.000 2.166 0.942) 2.362 26.903 ( 0.000 -1.561 0.343) 1.598 26.903 ( 0.000 1.561 0.343) 1.598 26.928 ( 0.000 -1.756 0.295) 1.780 26.928 ( 0.000 1.756 0.295) 1.780 27.770 ( 0.000 -5.694 3.003) 6.437 27.770 ( 0.000 5.694 3.003) 6.437 28.498 ( 0.000 -0.088 -8.243) 8.244 28.498 ( 0.000 0.088 -8.243) 8.244 29.330 ( 0.000 -7.505 -6.304) 9.801 29.330 ( 0.000 7.505 -6.304) 9.801 30.339 ( 0.000 -12.007 -2.486) 12.262 30.339 ( 0.000 12.007 -2.486) 12.262 30.976 ( 0.000 -1.394 12.251) 12.330 30.976 ( 0.000 1.394 12.251) 12.330 31.360 ( 0.000 -11.795 10.112) 15.536 31.360 ( 0.000 11.795 10.112) 15.536 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 4.054 -2.241 7.126) 8.499 2.108 ( 4.054 2.242 7.126) 8.499 2.259 ( 1.167 -2.853 6.454) 7.152 2.259 ( 1.167 2.853 6.454) 7.152 2.561 ( -5.913 -9.452 3.978) 11.837 2.561 ( -5.913 9.452 3.978) 11.837 2.681 ( -7.988 -8.206 6.179) 13.013 2.681 ( -7.988 8.206 6.179) 13.013 3.302 ( 8.354 -9.532 7.962) 14.968 3.302 ( 8.354 9.532 7.962) 14.968 3.511 ( 2.146 -8.447 -0.017) 8.716 3.511 ( 2.146 8.447 -0.017) 8.716 4.078 ( 1.866 -3.885 -5.550) 7.027 4.078 ( 1.866 3.885 -5.550) 7.027 4.145 ( 0.833 -3.288 -6.268) 7.127 4.145 ( 0.833 3.288 -6.268) 7.127 4.294 ( 0.878 -1.224 -5.341) 5.549 4.294 ( 0.878 1.224 -5.341) 5.549 4.459 ( -1.572 -5.718 0.193) 5.933 4.459 ( -1.572 5.718 0.193) 5.933 4.840 ( 0.989 -8.680 3.399) 9.374 4.840 ( 0.989 8.680 3.399) 9.374 4.983 ( -3.134 -6.233 5.262) 8.738 4.983 ( -3.134 6.233 5.262) 8.738 5.225 ( 3.925 -1.958 1.588) 4.665 5.225 ( 3.925 1.958 1.588) 4.665 5.524 ( -1.821 -9.687 4.754) 10.943 5.524 ( -1.821 9.687 4.754) 10.943 6.071 ( -3.886 -8.058 -8.886) 12.610 6.071 ( -3.886 8.058 -8.886) 12.610 6.205 ( -3.721 -5.519 -3.694) 7.613 6.205 ( -3.721 5.519 -3.694) 7.613 6.417 ( -0.212 -5.128 -1.412) 5.323 6.417 ( -0.212 5.128 -1.412) 5.323 6.565 ( -2.816 -2.118 -1.593) 3.867 6.565 ( -2.816 2.118 -1.593) 3.867 6.900 ( 12.947 -7.652 -6.488) 16.379 6.900 ( 12.947 7.652 -6.488) 16.379 7.640 ( -9.224 -3.925 -9.323) 13.690 7.640 ( -9.224 3.925 -9.323) 13.690 8.031 ( 4.093 -7.612 0.183) 8.644 8.031 ( 4.093 7.612 0.183) 8.644 8.199 ( -1.656 -3.151 5.698) 6.718 8.199 ( -1.656 3.151 5.698) 6.718 8.804 ( 4.098 -2.519 -4.229) 6.405 8.804 ( 4.098 2.519 -4.229) 6.405 9.065 ( -2.792 -9.079 -5.493) 10.973 9.065 ( -2.792 9.079 -5.493) 10.973 11.757 ( 1.235 -7.109 4.577) 8.545 11.757 ( 1.235 7.109 4.577) 8.545 11.844 ( -0.954 -2.555 4.391) 5.169 11.844 ( -0.954 2.555 4.391) 5.169 13.547 ( 1.690 -6.052 5.770) 8.531 13.547 ( 1.690 6.052 5.770) 8.531 13.672 ( -1.382 -7.770 4.481) 9.075 13.672 ( -1.382 7.770 4.481) 9.075 15.516 ( 2.408 -6.715 -1.018) 7.206 15.516 ( 2.408 6.715 -1.018) 7.206 15.721 ( -2.736 -3.465 -1.559) 4.682 15.721 ( -2.736 3.465 -1.559) 4.682 16.156 ( -0.236 -0.401 -2.437) 2.481 16.156 ( -0.236 0.401 -2.437) 2.481 16.186 ( -0.893 -0.589 -3.572) 3.728 16.186 ( -0.893 0.589 -3.572) 3.728 17.472 ( 1.428 -1.597 0.568) 2.216 17.472 ( 1.428 1.597 0.568) 2.216 17.577 ( -1.206 -2.222 0.873) 2.675 17.577 ( -1.206 2.222 0.873) 2.675 26.907 ( 0.388 -1.648 0.282) 1.716 26.907 ( 0.388 1.648 0.282) 1.716 26.927 ( -0.119 -1.767 0.253) 1.789 26.927 ( -0.119 1.767 0.253) 1.789 27.812 ( 4.572 -5.955 2.641) 7.958 27.812 ( 4.572 5.955 2.641) 7.958 28.368 ( -11.811 -3.628 -5.425) 13.494 28.368 ( -11.811 3.628 -5.425) 13.494 29.472 ( 13.138 -8.341 -7.471) 17.263 29.472 ( 13.138 8.341 -7.471) 17.263 30.239 ( -9.833 -11.691 -3.166) 15.601 30.239 ( -9.833 11.691 -3.166) 15.601 31.046 ( 6.446 -6.007 11.656) 14.611 31.046 ( 6.446 6.007 11.656) 14.611 31.340 ( -2.220 -11.659 10.173) 15.631 31.340 ( -2.220 11.659 10.173) 15.631 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 5.918 -9.573 6.316) 12.906 2.203 ( 5.918 9.573 6.316) 12.906 2.286 ( -0.560 -10.075 4.614) 11.095 2.286 ( -0.560 10.075 4.614) 11.095 2.455 ( -1.964 -10.388 7.455) 12.936 2.455 ( -1.964 10.388 7.455) 12.936 2.534 ( -7.564 -11.867 6.593) 15.541 2.534 ( -7.564 11.867 6.593) 15.541 3.446 ( 6.458 -7.954 3.665) 10.881 3.446 ( 6.458 7.954 3.665) 10.881 3.523 ( -1.605 -7.650 0.782) 7.855 3.523 ( -1.605 7.650 0.782) 7.855 4.122 ( 2.568 -8.135 -7.146) 11.128 4.122 ( 2.568 8.135 -7.146) 11.128 4.154 ( -0.546 -10.317 -6.350) 12.127 4.154 ( -0.546 10.317 -6.350) 12.127 4.331 ( 3.465 -7.493 -3.160) 8.839 4.331 ( 3.465 7.493 -3.160) 8.839 4.407 ( -3.988 -6.318 -1.691) 7.661 4.407 ( -3.988 6.318 -1.691) 7.661 4.870 ( 2.257 -8.170 5.268) 9.980 4.870 ( 2.257 8.170 5.268) 9.980 4.921 ( -3.230 -6.835 5.619) 9.419 4.921 ( -3.230 6.835 5.619) 9.419 5.328 ( 6.954 -2.493 2.796) 7.898 5.328 ( 6.954 2.493 2.796) 7.898 5.454 ( -5.838 -5.961 4.052) 9.276 5.454 ( -5.838 5.961 4.052) 9.276 6.038 ( 1.164 -6.423 -4.441) 7.895 6.038 ( 1.164 6.423 -4.441) 7.895 6.109 ( -5.696 -5.809 -2.713) 8.577 6.109 ( -5.696 5.809 -2.713) 8.577 6.441 ( 2.692 -4.948 -1.782) 5.908 6.441 ( 2.692 4.948 -1.782) 5.908 6.503 ( -3.694 -2.824 -1.743) 4.965 6.503 ( -3.694 2.824 -1.743) 4.965 7.168 ( 15.071 -6.521 -9.441) 18.942 7.168 ( 15.071 6.521 -9.441) 18.942 7.431 ( -13.130 -4.789 -9.789) 17.064 7.431 ( -13.130 4.789 -9.789) 17.064 8.103 ( 3.567 -6.712 1.123) 7.684 8.103 ( 3.567 6.712 1.123) 7.684 8.160 ( -2.607 -5.375 3.202) 6.778 8.160 ( -2.607 5.375 3.202) 6.778 8.897 ( 5.498 -4.654 -4.226) 8.351 8.897 ( 5.498 4.654 -4.226) 8.351 8.994 ( -4.804 -7.062 -4.795) 9.795 8.994 ( -4.804 7.062 -4.795) 9.795 11.786 ( 1.820 -5.877 4.523) 7.636 11.786 ( 1.820 5.877 4.523) 7.636 11.819 ( -1.649 -4.268 4.454) 6.385 11.819 ( -1.649 4.268 4.454) 6.385 13.588 ( 2.618 -6.548 5.355) 8.855 13.588 ( 2.618 6.548 5.355) 8.855 13.636 ( -2.433 -7.245 4.851) 9.052 13.636 ( -2.433 7.245 4.851) 9.052 15.577 ( 3.993 -6.340 -1.123) 7.576 15.577 ( 3.993 6.340 -1.123) 7.576 15.654 ( -4.189 -5.355 -1.309) 6.924 15.654 ( -4.189 5.355 -1.309) 6.924 16.155 ( 0.272 -0.494 -2.658) 2.717 16.155 ( 0.272 0.494 -2.658) 2.717 16.167 ( -0.962 -0.266 -3.062) 3.220 16.167 ( -0.962 0.266 -3.062) 3.220 17.506 ( 2.160 -2.040 0.595) 3.030 17.506 ( 2.160 2.040 0.595) 3.030 17.546 ( -2.027 -2.250 0.719) 3.112 17.546 ( -2.027 2.250 0.719) 3.112 26.916 ( 0.467 -1.760 0.188) 1.830 26.916 ( 0.467 1.760 0.188) 1.830 26.923 ( -0.303 -1.785 0.184) 1.820 26.923 ( -0.303 1.785 0.184) 1.820 27.937 ( 8.964 -6.297 1.315) 11.033 27.937 ( 8.964 6.297 1.315) 11.033 28.136 ( -12.325 -5.757 -1.403) 13.675 28.136 ( -12.325 5.757 -1.403) 13.675 29.744 ( 15.323 -9.902 -7.372) 19.677 29.744 ( 15.323 9.902 -7.372) 19.677 30.015 ( -13.845 -11.027 -5.334) 18.486 30.015 ( -13.845 11.027 -5.334) 18.486 31.172 ( 6.656 -9.280 10.910) 15.794 31.172 ( 6.656 9.280 10.910) 15.794 31.277 ( -4.594 -10.994 10.411) 15.823 31.277 ( -4.594 10.994 10.411) 15.823 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.000 0.000 23.158) 23.158 1.766 ( 0.000 0.000 22.258) 22.258 1.845 ( 0.000 0.000 -0.394) 0.394 2.145 ( 0.000 0.000 5.264) 5.264 2.238 ( 0.000 0.000 3.786) 3.786 2.610 ( 0.000 0.000 -12.240) 12.240 2.661 ( 0.000 0.000 17.320) 17.320 2.808 ( 0.000 0.000 -7.768) 7.768 2.840 ( 0.000 0.000 -1.770) 1.770 2.972 ( 0.000 0.000 -2.077) 2.077 3.005 ( 0.000 0.000 -0.178) 0.178 3.057 ( 0.000 0.000 -11.420) 11.420 3.556 ( 0.000 0.000 7.547) 7.547 3.757 ( 0.000 0.000 4.216) 4.216 3.781 ( 0.000 0.000 0.248) 0.248 4.116 ( 0.000 0.000 -13.474) 13.474 4.437 ( 0.000 0.000 7.778) 7.778 4.539 ( 0.000 0.000 -11.610) 11.610 4.689 ( 0.000 0.000 10.767) 10.767 4.715 ( 0.000 0.000 -4.558) 4.558 4.739 ( 0.000 0.000 4.210) 4.210 4.740 ( 0.000 0.000 7.283) 7.283 4.826 ( 0.000 0.000 10.665) 10.665 4.999 ( 0.000 0.000 4.148) 4.148 5.237 ( 0.000 0.000 1.943) 1.943 5.339 ( 0.000 0.000 -4.598) 4.598 5.428 ( 0.000 0.000 -3.218) 3.218 5.601 ( 0.000 0.000 22.859) 22.859 5.672 ( 0.000 0.000 -10.626) 10.626 5.783 ( 0.000 0.000 -2.491) 2.491 5.927 ( 0.000 0.000 -6.488) 6.488 6.111 ( 0.000 0.000 -5.655) 5.655 6.444 ( 0.000 0.000 -14.574) 14.574 6.561 ( 0.000 0.000 -2.277) 2.277 6.957 ( 0.000 0.000 -3.979) 3.979 7.057 ( 0.000 0.000 -6.293) 6.293 7.200 ( 0.000 0.000 -1.565) 1.565 7.477 ( 0.000 0.000 -9.234) 9.234 7.515 ( 0.000 0.000 3.790) 3.790 7.589 ( 0.000 0.000 -11.315) 11.315 7.640 ( 0.000 0.000 -9.506) 9.506 7.856 ( 0.000 0.000 3.067) 3.067 8.240 ( 0.000 0.000 3.212) 3.212 8.282 ( 0.000 0.000 -11.815) 11.815 8.457 ( 0.000 0.000 6.189) 6.189 8.789 ( 0.000 0.000 -0.911) 0.911 9.229 ( 0.000 0.000 3.310) 3.310 9.572 ( 0.000 0.000 -11.684) 11.684 11.501 ( 0.000 0.000 5.111) 5.111 11.685 ( 0.000 0.000 -0.061) 0.061 12.029 ( 0.000 0.000 5.881) 5.881 12.172 ( 0.000 0.000 2.033) 2.033 13.310 ( 0.000 0.000 4.926) 4.926 13.375 ( 0.000 0.000 5.214) 5.214 14.038 ( 0.000 0.000 6.752) 6.752 14.184 ( 0.000 0.000 3.257) 3.257 15.199 ( 0.000 0.000 -0.050) 0.050 15.209 ( 0.000 0.000 -0.216) 0.216 15.922 ( 0.000 0.000 -0.699) 0.699 15.983 ( 0.000 0.000 -2.475) 2.475 16.005 ( 0.000 0.000 -1.092) 1.092 16.015 ( 0.000 0.000 -1.372) 1.372 16.078 ( 0.000 0.000 -4.726) 4.726 16.137 ( 0.000 0.000 -1.227) 1.227 17.355 ( 0.000 0.000 0.931) 0.931 17.521 ( 0.000 0.000 1.309) 1.309 17.706 ( 0.000 0.000 -0.690) 0.690 17.952 ( 0.000 0.000 -2.716) 2.716 26.853 ( 0.000 0.000 0.231) 0.231 26.863 ( 0.000 0.000 -0.534) 0.534 27.005 ( 0.000 0.000 0.567) 0.567 27.043 ( 0.000 0.000 -0.287) 0.287 27.369 ( 0.000 0.000 7.688) 7.688 27.494 ( 0.000 0.000 7.156) 7.156 28.078 ( 0.000 0.000 -7.937) 7.937 28.215 ( 0.000 0.000 -8.894) 8.894 28.965 ( 0.000 0.000 2.602) 2.602 29.164 ( 0.000 0.000 -2.881) 2.881 29.752 ( 0.000 0.000 6.991) 6.991 30.517 ( 0.000 0.000 -3.401) 3.401 31.188 ( 0.000 0.000 9.492) 9.492 31.506 ( 0.000 0.000 -5.318) 5.318 31.620 ( 0.000 0.000 14.489) 14.489 32.481 ( 0.000 0.000 -7.926) 7.926 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 5.225 0.000 21.606) 22.229 1.777 ( 1.945 0.000 21.873) 21.959 1.869 ( 1.970 0.000 1.704) 2.605 2.122 ( -3.573 0.000 8.069) 8.825 2.227 ( -0.774 0.000 2.689) 2.798 2.511 ( -8.317 0.000 -10.021) 13.023 2.632 ( -2.526 0.000 1.452) 2.913 2.697 ( -10.232 0.000 -4.000) 10.986 2.867 ( 4.415 0.000 -10.071) 10.997 2.950 ( 7.204 0.000 6.673) 9.820 3.042 ( -1.571 0.000 -11.431) 11.538 3.263 ( 12.638 0.000 5.372) 13.733 3.541 ( -0.661 0.000 5.490) 5.530 3.801 ( 0.303 0.000 -0.696) 0.759 3.817 ( 6.154 0.000 3.806) 7.236 4.132 ( 1.262 0.000 -12.814) 12.876 4.379 ( -5.049 0.000 8.140) 9.579 4.496 ( -4.401 0.000 -10.283) 11.186 4.622 ( -5.350 0.000 1.912) 5.681 4.718 ( 2.519 0.000 9.305) 9.640 4.741 ( -2.291 0.000 8.336) 8.645 4.758 ( 1.460 0.000 6.758) 6.914 4.849 ( 3.436 0.000 3.597) 4.974 5.046 ( 1.941 0.000 1.213) 2.289 5.253 ( 2.259 0.000 3.116) 3.849 5.339 ( 0.057 0.000 -4.437) 4.437 5.412 ( -1.619 0.000 -3.199) 3.586 5.542 ( -5.269 0.000 17.628) 18.399 5.706 ( 3.673 0.000 -4.029) 5.452 5.800 ( 1.781 0.000 -2.919) 3.420 5.916 ( -1.141 0.000 -6.137) 6.242 6.070 ( -4.349 0.000 -2.238) 4.891 6.501 ( 5.613 0.000 -15.046) 16.059 6.611 ( 4.714 0.000 -5.422) 7.185 6.940 ( -1.796 0.000 -4.290) 4.650 7.037 ( -2.518 0.000 -6.372) 6.851 7.210 ( 1.087 0.000 -1.661) 1.985 7.379 ( -5.336 0.000 -3.198) 6.221 7.616 ( 3.035 0.000 -11.335) 11.735 7.645 ( 8.686 0.000 -2.344) 8.996 7.669 ( 3.316 0.000 -9.470) 10.034 7.867 ( 0.927 0.000 0.872) 1.272 8.175 ( -8.839 0.000 -6.904) 11.215 8.192 ( -5.173 0.000 1.637) 5.425 8.541 ( 6.217 0.000 1.436) 6.380 8.774 ( -1.688 0.000 -0.911) 1.918 9.238 ( 1.203 0.000 3.299) 3.512 9.508 ( -6.189 0.000 -7.735) 9.906 11.515 ( 1.545 0.000 4.823) 5.064 11.662 ( -2.309 0.000 0.874) 2.469 12.048 ( 1.929 0.000 5.064) 5.419 12.162 ( -1.086 0.000 2.186) 2.441 13.351 ( 3.599 0.000 4.645) 5.876 13.390 ( 1.463 0.000 5.233) 5.434 14.032 ( -0.213 0.000 6.546) 6.549 14.166 ( -2.010 0.000 3.258) 3.828 15.200 ( 0.089 0.000 -0.071) 0.114 15.208 ( -0.124 0.000 -0.205) 0.240 15.929 ( 0.814 0.000 -1.070) 1.344 15.994 ( 1.143 0.000 -2.651) 2.887 16.006 ( 0.123 0.000 -1.111) 1.118 16.014 ( -0.071 0.000 -1.337) 1.339 16.052 ( -2.116 0.000 -3.358) 3.969 16.134 ( -0.864 0.000 -2.496) 2.641 17.368 ( 1.389 0.000 1.238) 1.861 17.506 ( -1.741 0.000 1.638) 2.390 17.715 ( 1.102 0.000 -0.799) 1.361 17.902 ( -4.657 0.000 -1.699) 4.957 26.853 ( -0.022 0.000 0.112) 0.114 26.859 ( -0.358 0.000 -0.455) 0.579 27.010 ( 0.420 0.000 0.437) 0.607 27.039 ( -0.412 0.000 -0.227) 0.470 27.379 ( 1.110 0.000 7.616) 7.697 27.480 ( -1.448 0.000 7.168) 7.313 28.093 ( 1.539 0.000 -7.987) 8.133 28.203 ( -1.230 0.000 -8.779) 8.865 28.994 ( 3.688 0.000 3.086) 4.809 29.233 ( 4.447 0.000 -2.246) 4.982 29.773 ( 4.038 0.000 3.642) 5.438 30.454 ( -7.173 0.000 -5.164) 8.838 31.170 ( -1.759 0.000 9.404) 9.567 31.289 ( -11.342 0.000 5.796) 12.737 31.875 ( 15.731 0.000 4.242) 16.293 32.446 ( -3.940 0.000 -6.083) 7.247 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 7.210 0.000 17.454) 18.884 1.857 ( 6.712 0.000 19.334) 20.466 1.870 ( -3.061 0.000 9.925) 10.387 2.004 ( -8.365 0.000 14.418) 16.669 2.244 ( 3.535 0.000 -3.106) 4.705 2.355 ( -7.911 0.000 -7.932) 11.203 2.579 ( -2.491 0.000 -9.203) 9.534 2.584 ( -2.226 0.000 -8.923) 9.196 2.942 ( 3.619 0.000 -11.344) 11.907 3.001 ( -2.807 0.000 -11.510) 11.847 3.146 ( 12.520 0.000 10.338) 16.237 3.336 ( -5.735 0.000 9.980) 11.511 3.606 ( 7.876 0.000 0.548) 7.895 3.745 ( -6.115 0.000 0.500) 6.135 3.963 ( 8.980 0.000 2.278) 9.264 4.109 ( -5.397 0.000 -4.428) 6.981 4.325 ( 1.153 0.000 0.205) 1.171 4.399 ( -5.490 0.000 -7.452) 9.256 4.591 ( 2.031 0.000 8.311) 8.555 4.666 ( -5.054 0.000 9.865) 11.084 4.761 ( 1.780 0.000 7.449) 7.658 4.776 ( 0.193 0.000 6.714) 6.717 4.937 ( 5.416 0.000 -0.522) 5.441 5.026 ( -3.630 0.000 -0.105) 3.632 5.323 ( 5.012 0.000 6.331) 8.075 5.347 ( 0.999 0.000 -3.925) 4.050 5.376 ( -1.994 0.000 -3.384) 3.928 5.430 ( -6.395 0.000 12.291) 13.855 5.813 ( 7.601 0.000 0.868) 7.651 5.841 ( 2.523 0.000 -3.977) 4.710 5.886 ( -2.134 0.000 -5.197) 5.618 5.959 ( -7.472 0.000 1.508) 7.622 6.620 ( 6.414 0.000 -15.509) 16.783 6.684 ( 1.060 0.000 -11.572) 11.620 6.910 ( 0.026 0.000 -3.237) 3.237 6.965 ( -4.623 0.000 -3.769) 5.964 7.241 ( 2.287 0.000 -1.930) 2.992 7.296 ( -3.706 0.000 -2.370) 4.399 7.687 ( 4.125 0.000 -11.739) 12.442 7.731 ( 0.880 0.000 -12.642) 12.673 7.816 ( 9.757 0.000 -3.498) 10.365 7.910 ( 5.437 0.000 -0.325) 5.446 7.999 ( -9.973 0.000 -4.672) 11.013 8.057 ( -8.847 0.000 -1.064) 8.911 8.647 ( 5.145 0.000 -0.347) 5.157 8.727 ( -3.432 0.000 -0.823) 3.529 9.284 ( 3.917 0.000 2.572) 4.686 9.382 ( -6.583 0.000 -1.035) 6.664 11.555 ( 2.705 0.000 3.963) 4.798 11.610 ( -3.114 0.000 2.566) 4.035 12.091 ( 2.463 0.000 3.690) 4.436 12.133 ( -2.005 0.000 2.702) 3.364 13.407 ( 1.949 0.000 5.196) 5.549 13.417 ( 0.872 0.000 5.029) 5.104 14.050 ( 2.393 0.000 5.303) 5.817 14.111 ( -3.704 0.000 3.825) 5.325 15.202 ( 0.161 0.000 -0.121) 0.202 15.205 ( -0.183 0.000 -0.173) 0.251 15.954 ( 1.888 0.000 -1.805) 2.612 15.993 ( -2.004 0.000 -2.520) 3.220 16.009 ( 0.173 0.000 -1.169) 1.181 16.012 ( -0.141 0.000 -1.255) 1.263 16.046 ( 2.334 0.000 -2.869) 3.698 16.099 ( -2.773 0.000 -3.208) 4.240 17.406 ( 2.663 0.000 1.865) 3.252 17.460 ( -3.003 0.000 2.084) 3.655 17.748 ( 2.568 0.000 -0.789) 2.686 17.813 ( -4.425 0.000 -0.754) 4.489 26.852 ( -0.003 0.000 -0.142) 0.142 26.854 ( -0.177 0.000 -0.313) 0.359 27.019 ( 0.559 0.000 0.184) 0.589 27.029 ( -0.575 0.000 -0.061) 0.578 27.408 ( 1.920 0.000 7.439) 7.683 27.446 ( -2.120 0.000 7.258) 7.562 28.130 ( 2.282 0.000 -8.179) 8.491 28.172 ( -2.100 0.000 -8.491) 8.747 29.100 ( 7.280 0.000 3.490) 8.074 29.227 ( -5.129 0.000 2.148) 5.561 29.956 ( 14.934 0.000 -4.667) 15.646 30.247 ( -14.824 0.000 -7.273) 16.512 31.139 ( -1.043 0.000 9.334) 9.392 31.154 ( -3.423 0.000 9.009) 9.637 32.139 ( 12.654 0.000 1.154) 12.707 32.333 ( -8.378 0.000 -2.276) 8.682 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 0.000 11.342 21.342) 24.169 1.809 ( 0.000 4.818 21.130) 21.673 2.021 ( 0.000 16.503 0.848) 16.525 2.157 ( 0.000 2.833 7.145) 7.686 2.351 ( 0.000 9.406 3.356) 9.987 2.680 ( 0.000 6.163 -9.629) 11.432 2.728 ( 0.000 -4.841 -6.003) 7.712 2.732 ( 0.000 6.758 12.813) 14.486 2.902 ( 0.000 2.596 -0.033) 2.596 2.991 ( 0.000 2.453 -4.689) 5.292 3.020 ( 0.000 3.095 0.058) 3.096 3.200 ( 0.000 13.771 -9.564) 16.766 3.589 ( 0.000 3.766 7.183) 8.111 3.767 ( 0.000 1.421 4.717) 4.927 3.821 ( 0.000 3.514 -1.706) 3.906 4.136 ( 0.000 1.795 -10.932) 11.079 4.364 ( 0.000 -13.065 -9.094) 15.919 4.407 ( 0.000 -2.878 7.807) 8.321 4.675 ( 0.000 -4.171 6.881) 8.047 4.679 ( 0.000 -0.833 12.322) 12.350 4.761 ( 0.000 0.833 -2.734) 2.858 4.806 ( 0.000 5.373 5.602) 7.762 4.906 ( 0.000 6.354 5.923) 8.687 5.060 ( 0.000 5.004 4.139) 6.494 5.215 ( 0.000 -3.616 -4.387) 5.685 5.363 ( 0.000 3.461 1.091) 3.629 5.410 ( 0.000 -0.709 -5.415) 5.461 5.517 ( 0.000 -8.320 -4.990) 9.701 5.645 ( 0.000 2.976 13.503) 13.827 5.916 ( 0.000 -0.411 -2.315) 2.351 5.939 ( 0.000 9.011 -8.764) 12.570 6.138 ( 0.000 2.296 -5.978) 6.403 6.365 ( 0.000 -7.099 -12.852) 14.682 6.557 ( 0.000 -0.362 -1.922) 1.956 6.933 ( 0.000 -2.373 -2.875) 3.728 6.977 ( 0.000 -7.847 -5.522) 9.595 7.144 ( 0.000 -16.760 -3.716) 17.167 7.271 ( 0.000 1.844 -1.562) 2.416 7.483 ( 0.000 -4.827 -10.479) 11.537 7.507 ( 0.000 -6.409 -8.363) 10.536 7.811 ( 0.000 3.131 -0.422) 3.159 7.973 ( 0.000 15.353 -0.811) 15.375 8.234 ( 0.000 0.081 3.845) 3.845 8.348 ( 0.000 4.127 -10.039) 10.854 8.452 ( 0.000 -0.298 5.303) 5.311 8.744 ( 0.000 -4.412 -0.762) 4.477 9.187 ( 0.000 -4.363 2.480) 5.019 9.518 ( 0.000 -5.497 -10.956) 12.257 11.525 ( 0.000 2.512 5.105) 5.689 11.717 ( 0.000 3.022 -0.137) 3.025 12.025 ( 0.000 -0.480 5.790) 5.810 12.155 ( 0.000 -1.955 2.162) 2.915 13.339 ( 0.000 2.937 5.039) 5.832 13.404 ( 0.000 3.007 5.036) 5.866 14.004 ( 0.000 -3.438 6.848) 7.662 14.148 ( 0.000 -3.614 3.241) 4.854 15.210 ( 0.000 1.306 0.134) 1.312 15.254 ( 0.000 4.421 -1.464) 4.657 15.895 ( 0.000 -2.384 -0.506) 2.437 15.923 ( 0.000 -3.989 -1.468) 4.251 16.038 ( 0.000 1.932 -1.668) 2.552 16.051 ( 0.000 2.536 -2.094) 3.289 16.083 ( 0.000 0.559 -4.650) 4.683 16.135 ( 0.000 -0.218 -1.284) 1.302 17.369 ( 0.000 1.422 0.981) 1.727 17.520 ( 0.000 -0.181 1.307) 1.319 17.699 ( 0.000 -0.741 -0.641) 0.980 17.865 ( 0.000 -7.856 -0.281) 7.861 26.852 ( 0.000 -0.693 -0.293) 0.753 26.855 ( 0.000 0.238 0.141) 0.276 26.999 ( 0.000 -0.618 0.547) 0.825 27.030 ( 0.000 -1.126 -0.203) 1.145 27.519 ( 0.000 7.532 5.422) 9.281 27.589 ( 0.000 15.052 3.213) 15.391 28.054 ( 0.000 -2.470 -5.776) 6.282 28.236 ( 0.000 2.159 -8.690) 8.954 28.974 ( 0.000 1.128 2.716) 2.941 29.225 ( 0.000 5.636 -4.334) 7.109 29.766 ( 0.000 1.664 6.247) 6.465 30.513 ( 0.000 -0.505 -4.218) 4.248 31.197 ( 0.000 0.925 9.485) 9.530 31.453 ( 0.000 -5.209 -2.956) 5.989 31.585 ( 0.000 -3.445 14.494) 14.898 32.357 ( 0.000 -11.973 -4.347) 12.737 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 5.117 11.059 19.704) 23.168 1.818 ( 1.511 4.635 20.515) 21.086 2.028 ( 0.567 14.176 1.958) 14.322 2.135 ( -3.348 3.664 9.706) 10.901 2.342 ( -0.494 9.424 2.145) 9.677 2.578 ( -7.117 5.286 -7.813) 11.817 2.623 ( -5.167 -1.543 -3.247) 6.295 2.757 ( -9.735 7.472 -4.082) 12.933 2.887 ( 9.313 2.181 1.755) 9.724 3.022 ( 3.167 5.661 -3.596) 7.416 3.095 ( 1.784 5.347 -7.044) 9.022 3.302 ( 8.526 5.256 5.774) 11.560 3.578 ( 0.272 4.308 3.732) 5.706 3.832 ( 6.074 1.859 4.424) 7.740 3.834 ( -0.079 3.126 -1.717) 3.568 4.150 ( 0.997 1.711 -9.941) 10.136 4.310 ( -3.842 -10.943 -2.813) 11.934 4.378 ( -3.242 -2.658 3.221) 5.287 4.665 ( -1.501 -0.902 11.396) 11.530 4.690 ( 1.342 -3.007 6.579) 7.357 4.756 ( -0.146 2.002 -1.146) 2.311 4.812 ( -0.364 4.641 5.079) 6.890 4.902 ( 0.573 5.361 4.470) 7.003 5.042 ( -1.834 -0.570 1.499) 2.437 5.263 ( 4.057 0.263 -2.208) 4.627 5.347 ( -1.151 0.169 0.252) 1.190 5.418 ( 0.358 2.459 -3.870) 4.599 5.546 ( 3.273 -6.738 -3.073) 8.097 5.604 ( -3.698 2.999 12.898) 13.749 5.881 ( -3.425 -2.063 -3.054) 5.031 5.951 ( 1.195 7.886 -6.488) 10.281 6.114 ( -2.603 3.617 -3.351) 5.576 6.421 ( 5.655 -7.261 -13.315) 16.186 6.597 ( 3.731 -1.505 -4.752) 6.226 6.906 ( -3.431 -4.076 -4.763) 7.146 6.947 ( -2.750 -7.820 -4.329) 9.352 7.176 ( 3.252 -12.838 -3.375) 13.667 7.284 ( 1.027 1.759 -1.618) 2.601 7.489 ( 0.532 -2.027 -9.464) 9.693 7.537 ( 3.262 -10.939 -9.872) 15.092 7.822 ( 0.921 0.883 -0.965) 1.600 7.983 ( 1.191 14.598 -1.924) 14.773 8.178 ( -5.986 -0.166 1.721) 6.231 8.269 ( -4.896 6.796 -5.406) 9.969 8.536 ( 5.722 -0.660 1.143) 5.873 8.731 ( -1.310 -4.146 -0.582) 4.387 9.200 ( 1.544 -4.012 2.349) 4.898 9.461 ( -5.520 -4.777 -7.780) 10.669 11.542 ( 1.832 2.762 4.763) 5.803 11.695 ( -2.215 3.143 0.823) 3.932 12.042 ( 1.682 -0.741 4.981) 5.309 12.145 ( -1.089 -1.919 2.305) 3.191 13.374 ( 3.112 2.378 4.950) 6.312 13.417 ( 1.243 2.798 5.097) 5.946 14.001 ( 0.009 -3.172 6.533) 7.262 14.131 ( -1.973 -3.605 3.289) 5.263 15.213 ( 0.379 1.570 0.064) 1.616 15.248 ( -0.557 4.056 -1.173) 4.258 15.901 ( 0.736 -2.493 -0.920) 2.757 15.928 ( 0.485 -4.131 -1.496) 4.421 16.035 ( -0.298 1.763 -1.551) 2.367 16.055 ( 0.045 1.855 -2.582) 3.180 16.063 ( -1.312 1.509 -3.106) 3.694 16.131 ( -0.773 -0.238 -2.393) 2.526 17.381 ( 1.257 1.313 1.255) 2.209 17.505 ( -1.615 -0.053 1.628) 2.294 17.705 ( 0.731 -1.056 -0.689) 1.457 17.831 ( -3.166 -6.498 0.024) 7.229 26.850 ( -0.156 -0.539 -0.210) 0.599 26.854 ( -0.129 0.172 0.082) 0.230 27.003 ( 0.333 -0.689 0.435) 0.880 27.028 ( -0.306 -1.054 -0.181) 1.112 27.515 ( -0.275 7.986 5.549) 9.728 27.570 ( -1.797 12.846 4.381) 13.691 28.075 ( 2.148 -1.888 -6.022) 6.667 28.224 ( -1.488 1.974 -8.491) 8.843 29.013 ( 4.574 2.112 2.819) 5.773 29.297 ( 4.764 6.187 -4.188) 8.861 29.771 ( 2.614 -0.038 3.562) 4.418 30.444 ( -7.758 -1.141 -5.890) 9.807 31.179 ( -1.683 0.991 9.366) 9.567 31.270 ( -9.602 -1.654 6.797) 11.880 31.812 ( 14.572 -6.256 5.562) 16.805 32.328 ( -3.240 -11.386 -3.036) 12.221 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 5.092 3.263 15.335) 16.485 1.890 ( 5.977 10.033 16.710) 20.386 2.006 ( -3.521 7.456 8.733) 12.010 2.037 ( -5.958 9.658 14.927) 18.751 2.366 ( 3.717 10.071 -2.546) 11.033 2.460 ( -5.704 7.549 -6.182) 11.302 2.566 ( -1.106 -0.631 -8.066) 8.166 2.603 ( -5.713 4.526 -6.797) 9.966 3.016 ( 3.220 6.008 -10.012) 12.112 3.046 ( -0.637 4.256 -10.830) 11.653 3.189 ( 9.764 5.029 8.040) 13.611 3.349 ( -4.820 1.708 10.278) 11.480 3.651 ( 7.138 5.032 0.740) 8.764 3.777 ( -5.656 3.517 0.727) 6.700 3.972 ( 8.489 0.750 2.711) 8.943 4.115 ( -5.839 0.039 -2.412) 6.318 4.286 ( 1.116 -4.839 -1.369) 5.151 4.318 ( -2.417 -3.447 -0.482) 4.237 4.654 ( 1.280 2.478 8.210) 8.671 4.699 ( -1.709 1.787 8.664) 9.010 4.756 ( 0.456 -0.548 1.536) 1.694 4.778 ( -1.803 0.304 2.584) 3.165 4.945 ( 3.278 2.031 2.276) 4.478 5.001 ( -2.607 -1.068 1.465) 3.175 5.320 ( 1.506 -0.241 -2.692) 3.094 5.333 ( -0.430 -1.254 -1.456) 1.969 5.434 ( 2.273 5.779 1.705) 6.439 5.506 ( -4.961 6.282 7.407) 10.906 5.661 ( 7.157 -7.288 1.212) 10.286 5.790 ( -6.348 -5.573 -0.816) 8.486 5.989 ( 2.924 6.864 -4.283) 8.603 6.052 ( -3.724 5.551 -2.321) 7.076 6.547 ( 7.324 -7.063 -13.509) 16.912 6.645 ( -1.063 -4.346 -10.932) 11.812 6.841 ( -0.865 -6.627 -3.288) 7.448 6.887 ( -3.770 -5.923 -2.277) 7.381 7.242 ( 3.422 -4.846 -2.995) 6.645 7.287 ( -1.147 0.663 -2.106) 2.488 7.523 ( 3.422 -7.095 -9.534) 12.367 7.578 ( -0.685 -11.209 -11.302) 15.933 7.860 ( 4.469 -1.132 -1.720) 4.921 7.973 ( -5.209 0.969 -2.562) 5.885 8.101 ( 1.431 11.341 -2.878) 11.788 8.179 ( -5.128 10.939 -3.919) 12.701 8.630 ( 4.369 -1.909 0.132) 4.770 8.695 ( -2.689 -3.226 -0.248) 4.207 9.250 ( 4.009 -3.571 1.358) 5.537 9.346 ( -6.216 -3.787 -2.095) 7.574 11.587 ( 2.899 3.163 3.882) 5.786 11.644 ( -3.103 3.289 2.520) 5.176 12.079 ( 2.192 -1.273 3.653) 4.446 12.117 ( -1.866 -1.715 2.753) 3.742 13.425 ( 1.941 1.928 5.349) 6.008 13.438 ( 0.533 2.175 5.200) 5.662 14.020 ( 2.314 -3.009 5.256) 6.484 14.078 ( -3.484 -3.343 3.855) 6.179 15.223 ( 0.625 2.256 -0.158) 2.346 15.236 ( -0.747 3.181 -0.593) 3.321 15.921 ( 1.208 -3.006 -1.654) 3.637 15.935 ( -0.038 -4.070 -1.698) 4.410 16.028 ( -0.252 1.355 -1.569) 2.089 16.034 ( -0.893 1.238 -2.155) 2.641 16.073 ( 1.275 1.959 -2.679) 3.555 16.104 ( -1.917 0.506 -2.998) 3.595 17.415 ( 2.379 0.941 1.827) 3.144 17.463 ( -2.714 0.372 2.050) 3.421 17.727 ( 1.721 -2.077 -0.506) 2.745 17.770 ( -2.979 -3.967 -0.023) 4.961 26.848 ( 0.028 -0.268 -0.103) 0.288 26.850 ( -0.184 -0.003 0.006) 0.185 27.011 ( 0.503 -0.801 0.178) 0.962 27.020 ( -0.494 -0.916 -0.062) 1.042 27.516 ( 0.546 8.644 5.847) 10.450 27.536 ( -1.609 9.893 5.661) 11.511 28.125 ( 3.124 -0.602 -6.665) 7.385 28.182 ( -2.867 0.906 -7.633) 8.204 29.138 ( 8.407 4.046 2.451) 9.647 29.285 ( -6.077 5.947 0.539) 8.520 29.937 ( 14.636 -1.957 -4.748) 15.511 30.228 ( -15.088 -2.022 -7.575) 17.003 31.149 ( -1.035 0.964 9.364) 9.470 31.161 ( -2.661 0.973 9.659) 10.066 32.056 ( 11.631 -8.195 2.584) 14.461 32.232 ( -7.379 -9.946 -0.211) 12.386 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.000 8.878 18.194) 20.245 1.950 ( 0.000 11.440 19.034) 22.208 2.254 ( 0.000 6.863 6.261) 9.290 2.386 ( 0.000 17.932 3.567) 18.283 2.540 ( 0.000 8.728 3.736) 9.494 2.641 ( 0.000 -2.915 -3.282) 4.390 2.752 ( 0.000 -1.101 5.015) 5.135 2.888 ( 0.000 11.454 -1.506) 11.553 2.911 ( 0.000 -1.789 -5.550) 5.831 3.071 ( 0.000 5.736 4.756) 7.452 3.221 ( 0.000 16.941 -3.579) 17.315 3.529 ( 0.000 18.881 -8.554) 20.728 3.700 ( 0.000 7.213 7.203) 10.194 3.809 ( 0.000 2.565 3.528) 4.362 3.876 ( 0.000 -0.117 -2.995) 2.997 4.134 ( 0.000 -8.331 -6.757) 10.727 4.171 ( 0.000 1.568 -2.402) 2.869 4.333 ( 0.000 -4.671 3.787) 6.013 4.583 ( 0.000 -5.806 5.329) 7.881 4.666 ( 0.000 -0.254 9.626) 9.630 4.743 ( 0.000 -1.850 1.271) 2.244 4.910 ( 0.000 4.022 3.681) 5.452 5.020 ( 0.000 2.701 -1.828) 3.261 5.127 ( 0.000 -1.171 -0.753) 1.392 5.147 ( 0.000 3.883 5.724) 6.917 5.370 ( 0.000 -5.019 -5.273) 7.280 5.416 ( 0.000 -0.580 1.699) 1.795 5.484 ( 0.000 7.497 -4.164) 8.576 5.705 ( 0.000 3.659 -3.115) 4.805 5.931 ( 0.000 2.096 2.440) 3.216 6.070 ( 0.000 4.168 -12.128) 12.824 6.122 ( 0.000 -6.645 -13.800) 15.316 6.277 ( 0.000 1.084 -2.695) 2.905 6.544 ( 0.000 -1.279 -1.102) 1.688 6.794 ( 0.000 -9.693 -3.262) 10.227 6.813 ( 0.000 -14.933 -1.406) 14.999 6.870 ( 0.000 -4.634 -1.016) 4.744 7.212 ( 0.000 -16.064 -7.927) 17.914 7.365 ( 0.000 5.961 -3.990) 7.173 7.529 ( 0.000 1.859 -9.751) 9.927 7.838 ( 0.000 1.199 1.554) 1.962 8.252 ( 0.000 10.850 1.678) 10.979 8.255 ( 0.000 2.185 4.937) 5.399 8.366 ( 0.000 -3.374 -4.843) 5.902 8.473 ( 0.000 4.069 0.224) 4.075 8.651 ( 0.000 -3.994 -2.415) 4.667 9.068 ( 0.000 -7.755 0.249) 7.759 9.371 ( 0.000 -9.436 -9.779) 13.589 11.596 ( 0.000 4.795 5.047) 6.962 11.788 ( 0.000 4.042 0.312) 4.054 12.009 ( 0.000 -1.197 5.384) 5.516 12.090 ( 0.000 -4.863 2.918) 5.672 13.418 ( 0.000 5.127 5.307) 7.379 13.488 ( 0.000 5.526 4.553) 7.160 13.914 ( 0.000 -5.670 6.829) 8.876 14.051 ( 0.000 -6.335 3.245) 7.118 15.258 ( 0.000 3.918 0.466) 3.946 15.365 ( 0.000 6.617 -3.249) 7.371 15.837 ( 0.000 -5.004 -1.119) 5.128 15.841 ( 0.000 -3.169 -0.547) 3.216 16.075 ( 0.000 1.730 -2.053) 2.685 16.092 ( 0.000 1.654 -2.465) 2.968 16.098 ( 0.000 0.911 -4.317) 4.412 16.129 ( 0.000 -0.331 -1.394) 1.433 17.406 ( 0.000 2.336 1.126) 2.594 17.514 ( 0.000 -0.462 1.349) 1.426 17.676 ( 0.000 -1.592 -0.455) 1.656 17.709 ( 0.000 -7.192 2.423) 7.589 26.850 ( 0.000 0.592 -0.104) 0.601 26.864 ( 0.000 0.832 -0.023) 0.832 26.982 ( 0.000 -1.214 0.480) 1.305 27.003 ( 0.000 -1.684 -0.184) 1.694 27.637 ( 0.000 6.022 5.759) 8.333 27.952 ( 0.000 18.356 -6.178) 19.368 27.992 ( 0.000 -3.704 -1.725) 4.086 28.287 ( 0.000 2.765 -8.203) 8.657 29.019 ( 0.000 3.909 2.625) 4.709 29.333 ( 0.000 4.195 -5.066) 6.577 29.837 ( 0.000 6.329 2.647) 6.860 30.488 ( 0.000 -2.514 -6.507) 6.976 31.224 ( 0.000 1.731 9.373) 9.532 31.330 ( 0.000 -6.701 3.104) 7.385 31.505 ( 0.000 -4.298 14.494) 15.118 32.077 ( 0.000 -15.806 1.956) 15.927 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 0.148 7.725 15.589) 17.399 2.007 ( 4.783 11.361 18.047) 21.855 2.201 ( -4.524 7.191 5.493) 10.117 2.399 ( -0.793 17.375 8.014) 19.150 2.492 ( -3.618 2.844 -1.063) 4.723 2.584 ( -4.643 -0.262 -3.624) 5.895 2.681 ( -3.492 5.033 0.860) 6.186 2.894 ( -4.242 2.726 -4.295) 6.624 2.974 ( 7.961 6.908 3.174) 11.008 3.163 ( 2.931 10.481 -0.880) 10.918 3.221 ( 4.973 9.141 -2.930) 10.810 3.512 ( -2.913 15.282 1.626) 15.642 3.710 ( 3.441 8.945 0.379) 9.591 3.872 ( 4.392 2.290 1.790) 5.267 3.910 ( 2.463 2.216 1.042) 3.473 4.099 ( -2.225 -8.125 -3.467) 9.110 4.189 ( 1.621 2.148 -2.684) 3.800 4.320 ( -1.790 -3.752 2.071) 4.645 4.594 ( 1.477 -6.856 4.976) 8.599 4.666 ( 0.206 0.391 6.718) 6.732 4.742 ( -0.591 -2.070 1.754) 2.777 4.886 ( -3.328 2.284 2.133) 4.565 5.019 ( 0.078 1.255 -1.427) 1.902 5.052 ( -2.510 6.045 5.261) 8.398 5.237 ( 4.382 -1.342 1.049) 4.701 5.351 ( -0.979 -1.962 -4.957) 5.420 5.431 ( 2.053 -0.529 3.072) 3.732 5.530 ( 3.850 5.686 -3.317) 7.626 5.689 ( -1.549 4.921 -3.117) 6.027 5.865 ( -6.706 1.052 1.948) 7.062 6.045 ( -0.460 0.744 -10.016) 10.054 6.165 ( 0.782 -0.329 -9.869) 9.906 6.296 ( 3.292 -2.532 -4.842) 6.379 6.550 ( 0.796 -3.451 -2.496) 4.333 6.732 ( -4.363 -10.502 -4.027) 12.064 6.839 ( -2.948 -5.522 -0.236) 6.264 6.912 ( 8.092 -11.722 -3.082) 14.574 7.260 ( 4.462 -14.455 -8.464) 17.335 7.360 ( -1.036 3.510 -4.294) 5.642 7.494 ( -3.296 0.009 -9.210) 9.782 7.838 ( 0.423 1.709 0.439) 1.815 8.143 ( -8.214 2.906 3.475) 9.381 8.295 ( 1.882 9.670 -0.373) 9.859 8.363 ( 0.155 1.538 -3.042) 3.413 8.522 ( 3.697 0.863 0.504) 3.830 8.642 ( -0.884 -3.792 -2.180) 4.462 9.087 ( 2.144 -7.494 -0.007) 7.795 9.330 ( -4.124 -8.621 -7.930) 12.418 11.616 ( 2.118 4.807 4.723) 7.064 11.769 ( -1.906 4.269 1.188) 4.823 12.019 ( 0.995 -1.645 4.690) 5.068 12.083 ( -0.714 -4.527 2.936) 5.442 13.442 ( 2.202 4.594 5.368) 7.401 13.494 ( 0.588 5.147 4.756) 7.032 13.916 ( 0.440 -5.411 6.395) 8.389 14.035 ( -1.779 -6.214 3.359) 7.284 15.268 ( 1.031 4.275 0.294) 4.407 15.354 ( -1.149 6.546 -2.645) 7.153 15.833 ( 0.028 -4.996 -0.752) 5.052 15.849 ( 0.377 -3.821 -1.305) 4.055 16.069 ( -0.600 1.609 -1.880) 2.546 16.079 ( -1.218 1.232 -3.301) 3.728 16.099 ( 0.193 1.516 -2.694) 3.097 16.126 ( -0.459 -0.252 -2.150) 2.213 17.416 ( 0.999 2.238 1.315) 2.781 17.504 ( -1.068 -0.005 1.573) 1.902 17.676 ( -0.050 -1.990 -0.400) 2.030 17.698 ( -0.915 -6.345 2.036) 6.727 26.850 ( 0.062 0.689 -0.053) 0.693 26.863 ( -0.165 0.861 -0.016) 0.877 26.984 ( 0.231 -1.258 0.362) 1.329 27.001 ( -0.192 -1.639 -0.172) 1.659 27.648 ( 1.302 6.865 5.506) 8.896 27.882 ( -6.015 15.685 -2.465) 16.979 28.027 ( 3.180 -2.771 -2.326) 4.817 28.266 ( -2.582 2.075 -7.661) 8.347 29.084 ( 6.960 5.511 1.621) 9.025 29.430 ( 7.909 5.890 -7.009) 12.098 29.792 ( -2.938 3.211 2.300) 4.923 30.402 ( -9.228 -3.552 -7.584) 12.461 31.197 ( -2.304 0.267 9.286) 9.571 31.255 ( -3.722 1.244 9.132) 9.940 31.656 ( 11.258 -9.215 8.700) 16.951 32.058 ( -2.206 -15.485 2.537) 15.845 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 3.850 6.393 11.125) 13.396 2.052 ( -3.681 6.942 9.914) 12.651 2.175 ( 5.584 11.229 11.944) 17.319 2.313 ( -7.337 13.492 12.185) 19.605 2.463 ( 0.248 -0.598 -6.108) 6.142 2.502 ( -3.778 -0.479 -5.910) 7.030 2.683 ( 3.583 10.288 1.311) 10.973 2.784 ( -6.584 8.915 -0.729) 11.106 3.114 ( 5.625 5.502 -1.446) 8.000 3.162 ( -0.627 8.938 -6.394) 11.008 3.342 ( 5.555 9.047 0.650) 10.636 3.441 ( -4.751 9.219 5.727) 11.848 3.803 ( 5.553 10.093 1.184) 11.581 3.885 ( -2.923 7.339 -0.073) 7.900 3.981 ( 5.600 -0.224 5.420) 7.797 4.069 ( -2.725 -4.760 1.533) 5.695 4.227 ( 2.330 0.130 -1.694) 2.884 4.272 ( -2.707 -2.035 -0.308) 3.401 4.642 ( 3.444 -7.341 2.911) 8.615 4.684 ( 1.084 -4.096 -4.761) 6.373 4.717 ( -0.838 1.078 9.176) 9.277 4.788 ( -6.138 2.272 2.381) 6.964 5.028 ( 0.891 2.512 1.781) 3.206 5.040 ( -0.155 5.844 4.779) 7.551 5.287 ( 2.070 -1.386 -2.699) 3.673 5.330 ( -2.041 -0.045 -3.105) 3.715 5.524 ( 7.959 0.158 4.914) 9.356 5.600 ( 3.207 4.149 -1.132) 5.365 5.653 ( -2.437 7.834 -3.275) 8.834 5.710 ( -9.162 -1.981 2.258) 9.642 6.067 ( 2.742 0.646 -7.246) 7.774 6.130 ( -3.470 1.679 -5.629) 6.823 6.398 ( 6.948 -6.452 -7.655) 12.186 6.524 ( -5.384 -6.838 -6.940) 11.131 6.697 ( 2.350 -7.705 -1.568) 8.207 6.770 ( -4.358 -6.802 -0.602) 8.100 7.085 ( 10.111 -8.562 -4.600) 14.026 7.258 ( -7.412 -4.444 -5.042) 10.006 7.375 ( 4.332 -9.084 -9.199) 13.635 7.439 ( -2.589 -3.886 -8.989) 10.130 7.873 ( 3.856 3.053 -0.195) 4.922 7.985 ( -8.022 2.774 1.041) 8.551 8.331 ( 1.989 9.654 -1.830) 10.025 8.360 ( -0.872 6.286 -1.929) 6.633 8.581 ( 2.652 -1.841 -0.130) 3.232 8.620 ( -1.595 -3.299 -1.282) 3.882 9.147 ( 4.249 -7.077 -1.278) 8.353 9.238 ( -5.400 -7.379 -4.200) 10.062 11.666 ( 3.087 4.808 3.924) 6.931 11.723 ( -2.949 4.638 2.722) 6.133 12.041 ( 1.342 -2.638 3.633) 4.686 12.065 ( -1.190 -3.694 3.082) 4.955 13.482 ( 1.815 4.042 5.530) 7.086 13.501 ( -0.172 4.324 5.256) 6.809 13.939 ( 2.134 -5.268 5.152) 7.671 13.989 ( -2.943 -5.743 3.925) 7.553 15.293 ( 1.651 5.154 -0.268) 5.419 15.326 ( -1.766 6.072 -1.340) 6.464 15.841 ( 0.718 -5.368 -1.241) 5.556 15.851 ( -0.219 -4.698 -1.600) 4.967 16.057 ( -0.476 1.552 -1.864) 2.472 16.059 ( -0.711 1.430 -2.600) 3.051 16.104 ( 0.410 1.159 -2.592) 2.869 16.114 ( -0.682 0.426 -2.586) 2.709 17.441 ( 1.745 1.841 1.705) 3.056 17.476 ( -1.866 1.003 1.865) 2.822 17.676 ( 0.148 -3.099 0.031) 3.103 17.683 ( -0.630 -4.613 1.007) 4.764 26.853 ( 0.250 0.845 0.012) 0.881 26.858 ( -0.313 0.901 0.014) 0.953 26.990 ( 0.368 -1.373 0.111) 1.425 26.996 ( -0.343 -1.518 -0.091) 1.559 27.689 ( 3.277 9.168 4.524) 10.736 27.770 ( -5.519 12.408 2.048) 13.733 28.102 ( 4.835 -1.854 -3.399) 6.194 28.195 ( -4.844 0.055 -5.444) 7.287 29.256 ( 10.914 8.121 -0.285) 13.607 29.444 ( -7.645 10.183 -3.034) 13.090 29.881 ( 13.413 -3.900 -4.805) 14.771 30.166 ( -15.475 -4.482 -8.092) 18.029 31.177 ( 0.437 2.371 10.191) 10.472 31.204 ( -2.166 3.631 10.234) 11.073 31.851 ( 9.314 -12.425 5.804) 16.578 31.988 ( -5.581 -14.395 3.946) 15.936 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 10.208 14.257) 17.535 2.142 ( 0.000 8.608 14.904) 17.211 2.402 ( 0.000 6.561 2.268) 6.942 2.463 ( 0.000 -5.331 2.627) 5.943 2.601 ( 0.000 -1.728 8.531) 8.704 2.756 ( 0.000 5.688 2.707) 6.299 2.770 ( 0.000 5.073 7.620) 9.155 2.856 ( 0.000 -1.275 -2.335) 2.661 3.133 ( 0.000 12.426 -6.536) 14.040 3.203 ( 0.000 7.722 7.396) 10.693 3.522 ( 0.000 10.523 -1.048) 10.575 3.740 ( 0.000 -9.093 6.730) 11.313 3.841 ( 0.000 7.252 4.875) 8.738 3.848 ( 0.000 9.309 -6.928) 11.604 3.894 ( 0.000 8.115 -7.167) 10.827 4.104 ( 0.000 2.855 -4.667) 5.471 4.168 ( 0.000 -3.460 6.654) 7.500 4.264 ( 0.000 -1.270 -5.589) 5.731 4.449 ( 0.000 -6.509 1.684) 6.723 4.618 ( 0.000 -5.938 -2.172) 6.323 4.759 ( 0.000 4.192 7.919) 8.960 4.934 ( 0.000 -1.331 -1.868) 2.294 5.012 ( 0.000 0.575 0.813) 0.996 5.201 ( 0.000 4.457 2.371) 5.048 5.202 ( 0.000 0.291 4.473) 4.482 5.238 ( 0.000 -5.895 -0.958) 5.973 5.477 ( 0.000 6.555 6.558) 9.272 5.655 ( 0.000 9.378 -12.208) 15.394 5.732 ( 0.000 -2.332 -2.366) 3.322 5.962 ( 0.000 -7.199 -16.682) 18.169 6.010 ( 0.000 4.399 -6.287) 7.673 6.096 ( 0.000 -0.756 -13.521) 13.542 6.325 ( 0.000 2.253 0.918) 2.433 6.486 ( 0.000 -5.026 -0.768) 5.084 6.608 ( 0.000 -4.843 -0.287) 4.852 6.672 ( 0.000 -2.162 1.064) 2.409 6.776 ( 0.000 -4.880 2.138) 5.328 6.903 ( 0.000 -15.352 -5.288) 16.237 7.481 ( 0.000 5.622 -6.076) 8.278 7.559 ( 0.000 1.062 -9.368) 9.428 7.880 ( 0.000 3.820 2.321) 4.470 8.206 ( 0.000 -10.190 0.575) 10.206 8.328 ( 0.000 3.106 6.534) 7.235 8.352 ( 0.000 1.780 6.674) 6.907 8.616 ( 0.000 0.312 -5.510) 5.519 8.631 ( 0.000 9.314 -5.514) 10.824 8.915 ( 0.000 -6.610 -3.270) 7.375 9.169 ( 0.000 -11.369 -8.850) 14.407 11.705 ( 0.000 6.466 4.881) 8.101 11.864 ( 0.000 3.745 1.530) 4.045 11.975 ( 0.000 -6.837 3.918) 7.880 11.978 ( 0.000 -2.094 4.475) 4.941 13.529 ( 0.000 6.271 5.625) 8.424 13.608 ( 0.000 6.730 4.065) 7.862 13.796 ( 0.000 -6.276 6.476) 9.018 13.915 ( 0.000 -7.651 3.382) 8.365 15.360 ( 0.000 6.446 0.540) 6.469 15.482 ( 0.000 4.588 -2.902) 5.429 15.737 ( 0.000 -4.815 -1.166) 4.954 15.775 ( 0.000 -3.719 -1.215) 3.912 16.098 ( 0.000 0.731 -2.822) 2.915 16.110 ( 0.000 0.169 -2.692) 2.698 16.118 ( 0.000 1.024 -3.142) 3.305 16.128 ( 0.000 0.268 -1.718) 1.738 17.452 ( 0.000 2.218 1.454) 2.652 17.502 ( 0.000 -0.746 1.558) 1.727 17.613 ( 0.000 -2.607 2.211) 3.419 17.639 ( 0.000 -2.140 -0.071) 2.141 26.873 ( 0.000 1.720 0.033) 1.720 26.887 ( 0.000 1.505 -0.136) 1.511 26.953 ( 0.000 -1.701 0.383) 1.744 26.967 ( 0.000 -2.022 -0.132) 2.027 27.746 ( 0.000 5.247 4.969) 7.226 27.917 ( 0.000 -4.024 1.600) 4.331 28.222 ( 0.000 9.322 -9.108) 13.033 28.329 ( 0.000 1.320 -7.983) 8.092 29.129 ( 0.000 7.199 1.226) 7.302 29.353 ( 0.000 -2.031 -2.799) 3.458 30.010 ( 0.000 11.070 -3.414) 11.584 30.401 ( 0.000 -6.852 -8.538) 10.948 31.229 ( 0.000 -3.175 9.184) 9.717 31.242 ( 0.000 -0.551 10.008) 10.023 31.464 ( 0.000 1.472 13.267) 13.348 31.790 ( 0.000 -13.584 6.661) 15.129 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -1.407 8.713 9.896) 13.260 2.200 ( 3.522 8.672 14.010) 16.849 2.354 ( -4.128 6.147 1.622) 7.580 2.432 ( -2.856 -4.228 0.437) 5.121 2.565 ( -3.293 0.601 4.422) 5.547 2.701 ( -6.477 8.424 6.789) 12.609 2.739 ( -0.876 0.112 7.947) 7.996 2.861 ( -0.773 -3.420 -0.297) 3.519 3.186 ( 5.700 13.543 0.509) 14.702 3.311 ( 8.908 6.645 3.610) 11.685 3.488 ( -2.477 12.633 -2.671) 13.148 3.763 ( -2.640 -0.995 1.991) 3.453 3.818 ( 2.467 3.958 3.951) 6.113 3.888 ( 1.428 4.559 1.315) 4.955 3.926 ( 5.754 6.140 -6.121) 10.405 4.097 ( 0.019 3.387 -0.908) 3.507 4.227 ( 3.838 0.818 3.708) 5.398 4.258 ( -0.660 -2.060 -6.093) 6.466 4.428 ( -1.272 -8.339 -0.202) 8.437 4.596 ( -2.570 -7.360 -3.456) 8.527 4.777 ( 1.652 4.993 7.724) 9.344 4.925 ( -1.488 2.171 1.107) 2.856 5.003 ( 0.006 -1.351 -0.268) 1.378 5.146 ( -3.674 0.031 3.640) 5.172 5.245 ( 2.855 1.647 -0.662) 3.362 5.283 ( 4.663 -1.958 1.806) 5.370 5.477 ( -0.160 5.089 6.297) 8.098 5.671 ( 1.141 5.676 -9.508) 11.132 5.725 ( -0.665 -0.064 -2.771) 2.850 5.938 ( -3.951 3.173 -9.155) 10.464 5.986 ( -0.596 -2.553 -10.966) 11.275 6.114 ( 0.947 -3.048 -14.098) 14.455 6.327 ( 0.182 2.808 1.727) 3.302 6.465 ( -0.351 -5.083 -0.074) 5.096 6.578 ( -3.479 -4.540 -0.827) 5.779 6.709 ( -4.089 -7.480 2.096) 8.779 6.774 ( 8.450 -2.595 -2.212) 9.112 6.990 ( 7.720 -12.645 -5.989) 15.980 7.419 ( -7.000 2.583 -6.113) 9.646 7.490 ( -6.538 -0.679 -8.932) 11.090 7.905 ( 2.769 5.626 1.668) 6.488 8.219 ( -6.740 4.692 4.996) 9.613 8.251 ( 3.358 -9.003 1.384) 9.708 8.392 ( 0.727 -0.984 6.713) 6.824 8.626 ( 1.124 3.015 -5.667) 6.517 8.652 ( 1.598 9.374 -5.594) 11.033 8.932 ( 1.961 -7.660 -3.248) 8.549 9.141 ( -2.885 -10.819 -7.930) 13.721 11.723 ( 1.825 6.167 4.661) 7.943 11.850 ( -1.435 4.034 2.135) 4.784 11.975 ( 0.066 -5.279 3.839) 6.527 11.980 ( 0.132 -3.657 4.091) 5.489 13.545 ( 1.546 5.997 5.595) 8.345 13.609 ( -0.047 6.570 4.290) 7.847 13.802 ( 0.670 -6.290 6.110) 8.795 13.901 ( -1.418 -7.461 3.538) 8.379 15.376 ( 1.693 6.748 0.302) 6.964 15.479 ( -0.416 5.762 -2.672) 6.365 15.725 ( -0.810 -5.633 -0.742) 5.739 15.769 ( -0.754 -4.562 -1.550) 4.876 16.092 ( -0.550 0.886 -2.635) 2.834 16.102 ( -0.762 0.892 -2.602) 2.854 16.116 ( -0.107 0.396 -2.884) 2.913 16.125 ( -0.323 0.160 -1.976) 2.008 17.461 ( 0.921 2.287 1.532) 2.903 17.506 ( 0.264 0.115 1.400) 1.429 17.606 ( -0.553 -2.944 2.063) 3.637 17.633 ( -0.703 -2.423 0.062) 2.524 26.875 ( 0.184 1.774 0.029) 1.784 26.887 ( -0.055 1.588 -0.123) 1.594 26.955 ( 0.140 -1.763 0.273) 1.790 26.966 ( -0.128 -2.011 -0.136) 2.020 27.772 ( 2.798 5.864 4.593) 7.957 27.952 ( 3.608 -3.732 1.176) 5.322 28.134 ( -7.753 9.125 -5.120) 13.023 28.288 ( -4.649 -0.097 -6.582) 8.059 29.220 ( 9.262 8.236 -0.704) 12.414 29.467 ( 11.139 -2.135 -5.126) 12.446 29.923 ( -8.680 9.882 -3.088) 13.511 30.299 ( -10.377 -7.313 -8.504) 15.280 31.208 ( 0.976 1.728 10.913) 11.092 31.309 ( 2.227 2.582 8.770) 9.409 31.499 ( 4.360 -5.220 11.887) 13.695 31.772 ( -1.972 -13.731 6.846) 15.469 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 3.346 7.951 5.106) 10.025 2.196 ( -4.920 7.892 4.599) 10.375 2.345 ( 4.075 2.030 2.003) 4.973 2.395 ( -1.025 -1.324 -0.827) 1.868 2.496 ( -2.383 2.807 4.226) 5.605 2.557 ( -7.778 8.610 10.165) 15.426 2.761 ( 2.812 -2.786 7.473) 8.456 2.821 ( -3.179 -3.728 3.924) 6.277 3.305 ( 6.275 13.455 3.816) 15.329 3.392 ( -2.402 12.206 4.763) 13.320 3.516 ( 6.936 8.805 -4.239) 11.984 3.652 ( -7.260 8.623 -2.381) 11.521 3.903 ( 3.977 -1.939 7.137) 8.397 3.930 ( 1.691 -0.494 7.219) 7.431 4.027 ( 4.789 5.667 -4.432) 8.643 4.101 ( -1.243 8.397 -0.705) 8.518 4.224 ( 0.187 -2.957 -1.185) 3.191 4.267 ( -1.519 2.543 -3.806) 4.823 4.448 ( 3.702 -11.155 -1.961) 11.916 4.529 ( -4.380 -9.459 -4.256) 11.259 4.814 ( 2.523 6.551 6.276) 9.416 4.872 ( -3.596 6.037 4.336) 8.257 5.028 ( 2.349 -2.749 -0.709) 3.685 5.080 ( -3.250 -2.093 1.031) 4.001 5.315 ( 4.136 3.834 0.288) 5.647 5.359 ( 1.086 3.476 0.826) 3.735 5.496 ( 4.385 -1.560 5.711) 7.367 5.623 ( -6.616 -4.320 1.190) 7.991 5.753 ( 3.689 8.061 -7.585) 11.668 5.838 ( -5.494 8.877 -7.815) 13.041 6.014 ( 3.481 -5.137 -10.773) 12.433 6.090 ( -3.680 -4.699 -11.561) 13.011 6.357 ( 3.686 1.406 0.730) 4.012 6.445 ( -4.418 -1.138 -1.129) 4.700 6.545 ( 2.460 -7.697 0.074) 8.081 6.621 ( -4.807 -8.199 1.387) 9.605 6.977 ( 12.586 -2.013 -5.286) 13.798 7.147 ( 5.851 -7.270 -8.141) 12.384 7.241 ( -8.438 -3.254 -6.116) 10.918 7.349 ( -8.706 -5.388 -8.460) 13.282 7.979 ( 5.064 7.616 1.764) 9.314 8.088 ( -6.725 7.322 3.058) 10.401 8.324 ( 3.765 -7.712 3.401) 9.231 8.379 ( -2.005 -4.869 5.281) 7.458 8.651 ( 1.367 6.840 -5.964) 9.177 8.667 ( -0.129 9.179 -5.925) 10.926 8.989 ( 4.081 -8.985 -3.934) 10.623 9.071 ( -4.460 -9.796 -5.843) 12.247 11.766 ( 2.655 5.475 4.088) 7.331 11.814 ( -2.415 4.697 3.220) 6.186 11.978 ( 0.193 -4.685 3.602) 5.913 11.981 ( -0.078 -4.235 3.701) 5.624 13.577 ( 1.720 5.740 5.422) 8.081 13.602 ( -0.841 6.072 4.903) 7.850 13.825 ( 1.874 -6.449 5.104) 8.435 13.866 ( -2.303 -6.941 4.095) 8.382 15.417 ( 2.503 7.444 -0.434) 7.865 15.459 ( -1.854 7.497 -1.665) 7.900 15.723 ( 0.731 -6.852 -0.920) 6.952 15.747 ( -1.531 -6.164 -1.537) 6.535 16.084 ( -0.194 1.273 -2.364) 2.692 16.088 ( -0.610 1.405 -2.443) 2.883 16.115 ( 0.024 -0.024 -2.554) 2.554 16.118 ( -0.307 -0.012 -2.285) 2.306 17.483 ( 1.350 2.395 1.587) 3.175 17.504 ( -0.687 1.876 1.409) 2.445 17.602 ( 0.297 -3.607 1.380) 3.873 17.616 ( -1.001 -3.146 0.523) 3.343 26.879 ( 0.295 1.826 -0.006) 1.850 26.884 ( -0.219 1.750 -0.071) 1.765 26.958 ( 0.237 -1.881 0.050) 1.897 26.963 ( -0.226 -1.969 -0.100) 1.984 27.850 ( 5.662 7.331 3.178) 9.793 27.974 ( -7.178 8.353 0.144) 11.015 28.054 ( 5.409 -3.054 -0.434) 6.226 28.175 ( -6.950 -2.171 -3.068) 7.901 29.434 ( 13.091 9.927 -3.282) 16.753 29.645 ( -3.414 8.970 -6.924) 11.834 29.795 ( 6.234 -3.827 -3.981) 8.328 30.054 ( -15.322 -7.295 -8.020) 18.770 31.251 ( 3.111 5.512 10.860) 12.569 31.304 ( -2.132 6.767 10.186) 12.413 31.610 ( 6.539 -12.031 8.913) 16.339 31.713 ( -4.478 -13.640 7.475) 16.186 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 0.000 -1.316 10.869) 10.948 2.266 ( 0.000 1.316 10.869) 10.948 2.390 ( 0.000 -2.421 5.748) 6.237 2.390 ( 0.000 2.421 5.748) 6.237 2.676 ( 0.000 -7.719 3.254) 8.376 2.676 ( 0.000 7.719 3.254) 8.376 2.863 ( 0.000 -2.822 5.893) 6.534 2.863 ( 0.000 2.822 5.893) 6.534 3.294 ( 0.000 -1.776 -2.286) 2.895 3.294 ( 0.000 1.776 -2.286) 2.895 3.607 ( 0.000 -2.931 10.453) 10.856 3.607 ( 0.000 2.931 10.453) 10.856 3.927 ( 0.000 -0.372 -5.238) 5.251 3.927 ( 0.000 0.372 -5.238) 5.251 4.064 ( 0.000 -6.735 -3.185) 7.450 4.064 ( 0.000 6.735 -3.185) 7.450 4.190 ( 0.000 -5.693 -3.508) 6.687 4.190 ( 0.000 5.693 -3.508) 6.687 4.471 ( 0.000 -7.653 -0.345) 7.661 4.471 ( 0.000 7.653 -0.345) 7.661 4.856 ( 0.000 -5.334 0.087) 5.335 4.856 ( 0.000 5.334 0.087) 5.335 5.092 ( 0.000 -6.343 2.378) 6.775 5.092 ( 0.000 6.343 2.378) 6.775 5.239 ( 0.000 -0.367 4.272) 4.288 5.239 ( 0.000 0.367 4.272) 4.288 5.625 ( 0.000 -7.751 3.386) 8.459 5.625 ( 0.000 7.751 3.386) 8.459 5.819 ( 0.000 -7.640 -17.429) 19.030 5.819 ( 0.000 7.640 -17.429) 19.030 6.076 ( 0.000 -1.416 -12.073) 12.155 6.076 ( 0.000 1.416 -12.073) 12.155 6.383 ( 0.000 -4.740 0.565) 4.774 6.383 ( 0.000 4.740 0.565) 4.774 6.642 ( 0.000 -6.094 1.693) 6.325 6.642 ( 0.000 6.094 1.693) 6.325 6.707 ( 0.000 -0.446 -0.038) 0.448 6.707 ( 0.000 0.446 -0.038) 0.448 7.556 ( 0.000 -1.827 -8.242) 8.442 7.556 ( 0.000 1.827 -8.242) 8.442 8.005 ( 0.000 -9.243 2.553) 9.589 8.005 ( 0.000 9.243 2.553) 9.589 8.367 ( 0.000 -0.389 7.289) 7.299 8.367 ( 0.000 0.389 7.289) 7.299 8.667 ( 0.000 -4.266 -5.203) 6.728 8.667 ( 0.000 4.266 -5.203) 6.728 8.954 ( 0.000 -9.966 -7.802) 12.656 8.954 ( 0.000 9.966 -7.802) 12.656 11.838 ( 0.000 -7.236 4.521) 8.532 11.838 ( 0.000 7.236 4.521) 8.532 11.929 ( 0.000 -2.986 3.119) 4.318 11.929 ( 0.000 2.986 3.119) 4.318 13.650 ( 0.000 -5.634 5.769) 8.064 13.650 ( 0.000 5.634 5.769) 8.064 13.770 ( 0.000 -6.706 3.916) 7.766 13.770 ( 0.000 6.706 3.916) 7.766 15.481 ( 0.000 -4.916 -0.207) 4.920 15.481 ( 0.000 4.916 -0.207) 4.920 15.708 ( 0.000 -2.353 -2.089) 3.146 15.708 ( 0.000 2.353 -2.089) 3.146 16.108 ( 0.000 -0.304 -2.849) 2.865 16.108 ( 0.000 0.304 -2.849) 2.865 16.130 ( 0.000 -0.234 -2.359) 2.371 16.130 ( 0.000 0.234 -2.359) 2.371 17.485 ( 0.000 -1.181 1.794) 2.148 17.485 ( 0.000 1.181 1.794) 2.148 17.604 ( 0.000 -1.200 0.736) 1.408 17.604 ( 0.000 1.200 0.736) 1.408 26.906 ( 0.000 -1.017 -0.030) 1.017 26.906 ( 0.000 1.017 -0.030) 1.017 26.932 ( 0.000 -0.981 0.106) 0.986 26.932 ( 0.000 0.981 0.106) 0.986 27.838 ( 0.000 -4.379 3.719) 5.745 27.838 ( 0.000 4.379 3.719) 5.745 28.325 ( 0.000 -2.186 -8.500) 8.776 28.325 ( 0.000 2.186 -8.500) 8.776 29.267 ( 0.000 -6.477 -0.817) 6.529 29.267 ( 0.000 6.477 -0.817) 6.529 30.227 ( 0.000 -10.800 -7.489) 13.142 30.227 ( 0.000 10.800 -7.489) 13.142 31.214 ( 0.000 -1.200 11.286) 11.349 31.214 ( 0.000 1.200 11.286) 11.349 31.571 ( 0.000 -8.959 10.041) 13.457 31.571 ( 0.000 8.959 10.041) 13.457 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -1.329 -6.470 5.617) 8.670 2.246 ( -1.329 6.470 5.617) 8.670 2.385 ( -0.764 -4.986 4.690) 6.888 2.385 ( -0.764 4.986 4.690) 6.888 2.648 ( -2.410 -7.635 6.074) 10.049 2.648 ( -2.410 7.635 6.074) 10.049 2.809 ( -5.039 -3.413 6.793) 9.121 2.809 ( -5.039 3.413 6.793) 9.121 3.379 ( 7.806 -2.966 -0.516) 8.366 3.379 ( 7.806 2.966 -0.516) 8.366 3.621 ( 0.848 -5.148 8.983) 10.388 3.621 ( 0.848 5.148 8.983) 10.388 3.946 ( 2.126 -3.423 -3.823) 5.555 3.946 ( 2.126 3.423 -3.823) 5.555 4.063 ( -0.021 -9.449 -3.249) 9.992 4.063 ( -0.021 9.449 -3.249) 9.992 4.216 ( 2.535 -1.746 -2.502) 3.967 4.216 ( 2.535 1.746 -2.502) 3.967 4.437 ( -3.426 -7.555 -1.697) 8.468 4.437 ( -3.426 7.555 -1.697) 8.468 4.882 ( 2.502 -5.302 0.632) 5.896 4.882 ( 2.502 5.302 0.632) 5.896 5.064 ( -2.915 -5.991 2.720) 7.197 5.064 ( -2.915 5.991 2.720) 7.197 5.276 ( 4.175 -1.289 3.530) 5.617 5.276 ( 4.175 1.289 3.530) 5.617 5.599 ( -2.808 -6.920 2.181) 7.780 5.599 ( -2.808 6.920 2.181) 7.780 5.842 ( 2.220 -7.079 -14.246) 16.062 5.842 ( 2.220 7.079 -14.246) 16.062 6.060 ( -2.155 -3.388 -11.729) 12.397 6.060 ( -2.155 3.388 -11.729) 12.397 6.379 ( 0.159 -3.397 0.727) 3.478 6.379 ( 0.159 3.397 0.727) 3.478 6.581 ( -4.452 -4.546 2.176) 6.725 6.581 ( -4.452 4.546 2.176) 6.725 6.808 ( 8.844 -5.853 -2.575) 10.913 6.808 ( 8.844 5.853 -2.575) 10.913 7.464 ( -9.104 -1.991 -7.987) 12.274 7.464 ( -9.104 1.991 -7.987) 12.274 8.055 ( 4.563 -9.660 2.644) 11.006 8.055 ( 4.563 9.660 2.644) 11.006 8.325 ( -3.893 -5.143 6.254) 8.984 8.325 ( -3.893 5.143 6.254) 8.984 8.713 ( 4.251 -4.851 -4.964) 8.139 8.713 ( 4.251 4.851 -4.964) 8.139 8.935 ( -2.081 -9.458 -7.453) 12.220 8.935 ( -2.081 9.458 -7.453) 12.220 11.848 ( 1.062 -6.784 4.379) 8.144 11.848 ( 1.062 6.784 4.379) 8.144 11.921 ( -0.784 -3.377 3.251) 4.752 11.921 ( -0.784 3.377 3.251) 4.752 13.663 ( 1.335 -5.572 5.592) 8.006 13.663 ( 1.335 5.572 5.592) 8.006 13.760 ( -1.070 -6.537 4.075) 7.777 13.760 ( -1.070 6.537 4.075) 7.777 15.502 ( 2.176 -4.820 -0.385) 5.302 15.502 ( 2.176 4.820 -0.385) 5.302 15.685 ( -2.407 -2.988 -1.893) 4.279 15.685 ( -2.407 2.988 -1.893) 4.279 16.105 ( -0.205 -0.407 -2.695) 2.734 16.105 ( -0.205 0.407 -2.695) 2.734 16.124 ( -0.590 -0.318 -2.358) 2.452 16.124 ( -0.590 0.318 -2.358) 2.452 17.497 ( 1.248 -1.298 1.669) 2.455 17.497 ( 1.248 1.298 1.669) 2.455 17.593 ( -1.155 -1.297 0.816) 1.919 17.593 ( -1.155 1.297 0.816) 1.919 26.910 ( 0.314 -1.046 -0.052) 1.093 26.910 ( 0.314 1.046 -0.052) 1.093 26.930 ( -0.204 -1.002 0.062) 1.024 26.930 ( -0.204 1.002 0.062) 1.024 27.872 ( 3.656 -4.645 3.292) 6.766 27.872 ( 3.656 4.645 3.292) 6.766 28.254 ( -6.861 -3.701 -5.732) 9.676 28.254 ( -6.861 3.701 -5.732) 9.676 29.373 ( 10.519 -7.012 -2.882) 12.966 29.373 ( 10.519 7.012 -2.882) 12.966 30.126 ( -10.169 -10.379 -7.134) 16.187 30.126 ( -10.169 10.379 -7.134) 16.187 31.272 ( 5.519 -4.527 10.722) 12.881 31.272 ( 5.519 4.527 10.722) 12.881 31.550 ( -2.287 -8.896 9.990) 13.571 31.550 ( -2.287 8.896 9.990) 13.571 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 2.790 -7.059 -0.245) 7.595 2.255 ( 2.790 7.059 -0.245) 7.595 2.335 ( -4.724 -6.006 -0.515) 7.659 2.335 ( -4.724 6.006 -0.515) 7.659 2.635 ( 1.988 -8.779 10.648) 13.943 2.635 ( 1.988 8.779 10.648) 13.943 2.709 ( -5.297 -7.112 9.340) 12.879 2.709 ( -5.297 7.112 9.340) 12.879 3.524 ( 6.822 -5.523 2.956) 9.262 3.524 ( 6.822 5.523 2.956) 9.262 3.611 ( -2.473 -7.171 6.137) 9.758 3.611 ( -2.473 7.172 6.137) 9.758 4.001 ( 3.441 -7.056 -1.986) 8.097 4.001 ( 3.441 7.056 -1.986) 8.097 4.052 ( -1.675 -12.414 -1.777) 12.652 4.052 ( -1.675 12.414 -1.777) 12.652 4.278 ( 4.110 -6.882 -2.582) 8.421 4.278 ( 4.110 6.882 -2.582) 8.421 4.360 ( -4.575 -7.048 -3.115) 8.962 4.360 ( -4.575 7.048 -3.115) 8.962 4.936 ( 3.213 -5.290 1.220) 6.308 4.936 ( 3.213 5.290 1.220) 6.308 4.999 ( -3.663 -5.323 2.040) 6.776 4.999 ( -3.663 5.323 2.040) 6.776 5.387 ( 7.373 -2.758 3.010) 8.428 5.387 ( 7.373 2.758 3.010) 8.428 5.518 ( -6.074 -5.248 2.156) 8.311 5.518 ( -6.074 5.248 2.156) 8.311 5.898 ( 4.024 -6.652 -11.017) 13.484 5.898 ( 4.024 6.652 -11.017) 13.484 5.988 ( -5.217 -6.177 -10.831) 13.516 5.988 ( -5.217 6.177 -10.831) 13.516 6.411 ( 3.420 -4.018 1.113) 5.393 6.411 ( 3.420 4.018 1.113) 5.393 6.492 ( -4.961 -4.208 1.755) 6.738 6.492 ( -4.961 4.208 1.755) 6.738 7.012 ( 12.824 -5.300 -5.992) 15.115 7.012 ( 12.824 5.300 -5.992) 15.115 7.255 ( -12.900 -3.652 -7.587) 15.405 7.255 ( -12.900 3.652 -7.587) 15.405 8.148 ( 5.248 -9.611 3.495) 11.495 8.148 ( 5.248 9.611 3.495) 11.495 8.242 ( -4.906 -8.230 4.799) 10.716 8.242 ( -4.906 8.230 4.799) 10.716 8.800 ( 4.785 -6.380 -5.509) 9.693 8.800 ( 4.785 6.380 -5.509) 9.693 8.880 ( -3.786 -8.117 -6.558) 11.101 8.880 ( -3.786 8.117 -6.558) 11.101 11.873 ( 1.550 -5.667 4.021) 7.120 11.873 ( 1.550 5.667 4.021) 7.120 11.901 ( -1.380 -4.383 3.594) 5.834 11.901 ( -1.380 4.383 3.594) 5.834 13.695 ( 2.028 -5.655 5.115) 7.890 13.695 ( 2.028 5.655 5.115) 7.890 13.732 ( -1.867 -6.086 4.525) 7.810 13.732 ( -1.867 6.086 4.525) 7.810 15.557 ( 3.609 -4.543 -0.843) 5.863 15.557 ( 3.609 4.543 -0.843) 5.863 15.627 ( -3.753 -3.963 -1.409) 5.637 15.627 ( -3.753 3.963 -1.409) 5.638 16.104 ( 0.168 -0.548 -2.451) 2.517 16.104 ( 0.168 0.548 -2.451) 2.517 16.112 ( -0.653 -0.492 -2.355) 2.493 16.112 ( -0.653 0.492 -2.355) 2.493 17.527 ( 1.951 -1.463 1.369) 2.796 17.527 ( 1.951 1.463 1.369) 2.796 17.564 ( -1.895 -1.454 1.045) 2.607 17.564 ( -1.895 1.454 1.045) 2.607 26.917 ( 0.442 -1.072 -0.070) 1.162 26.917 ( 0.442 1.072 -0.070) 1.162 26.925 ( -0.375 -1.047 -0.025) 1.112 26.925 ( -0.375 1.047 -0.025) 1.112 27.968 ( 6.656 -5.062 1.757) 8.544 27.968 ( 6.656 5.062 1.757) 8.544 28.108 ( -8.256 -4.920 -1.324) 9.702 28.108 ( -8.256 4.920 -1.324) 9.702 29.614 ( 14.772 -8.188 -5.520) 17.769 29.614 ( 14.772 8.188 -5.520) 17.769 29.890 ( -14.622 -9.419 -6.662) 18.626 29.890 ( -14.622 9.419 -6.662) 18.626 31.386 ( 6.220 -7.155 10.100) 13.853 31.386 ( 6.220 7.155 10.100) 13.853 31.487 ( -4.538 -8.459 9.932) 13.813 31.487 ( -4.538 8.459 9.932) 13.813 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.000 0.000 3.616) 3.616 1.997 ( 0.000 0.000 15.706) 15.706 2.157 ( 0.000 0.000 18.067) 18.067 2.229 ( 0.000 0.000 -4.325) 4.325 2.311 ( 0.000 0.000 10.812) 10.812 2.493 ( 0.000 0.000 2.386) 2.386 2.630 ( 0.000 0.000 -10.360) 10.360 2.754 ( 0.000 0.000 -7.035) 7.035 2.804 ( 0.000 0.000 -5.769) 5.769 2.826 ( 0.000 0.000 -11.503) 11.503 2.939 ( 0.000 0.000 0.186) 0.186 3.005 ( 0.000 0.000 2.886) 2.886 3.735 ( 0.000 0.000 7.581) 7.581 3.777 ( 0.000 0.000 0.629) 0.629 3.806 ( 0.000 0.000 0.194) 0.194 3.891 ( 0.000 0.000 -8.246) 8.246 4.420 ( 0.000 0.000 0.386) 0.386 4.567 ( 0.000 0.000 3.381) 3.381 4.611 ( 0.000 0.000 -4.268) 4.268 4.735 ( 0.000 0.000 -5.366) 5.366 4.814 ( 0.000 0.000 0.547) 0.547 4.848 ( 0.000 0.000 4.305) 4.305 4.981 ( 0.000 0.000 2.924) 2.924 5.022 ( 0.000 0.000 -0.166) 0.166 5.335 ( 0.000 0.000 5.062) 5.062 5.370 ( 0.000 0.000 13.499) 13.499 5.405 ( 0.000 0.000 1.657) 1.657 5.606 ( 0.000 0.000 4.768) 4.768 5.690 ( 0.000 0.000 -6.441) 6.441 5.758 ( 0.000 0.000 -10.014) 10.014 5.858 ( 0.000 0.000 -7.197) 7.197 6.121 ( 0.000 0.000 -7.941) 7.941 6.247 ( 0.000 0.000 16.116) 16.116 6.563 ( 0.000 0.000 2.643) 2.643 6.839 ( 0.000 0.000 -7.700) 7.700 6.916 ( 0.000 0.000 -8.749) 8.749 7.190 ( 0.000 0.000 0.611) 0.611 7.321 ( 0.000 0.000 -6.356) 6.356 7.418 ( 0.000 0.000 -5.471) 5.471 7.467 ( 0.000 0.000 -7.119) 7.119 7.629 ( 0.000 0.000 7.657) 7.657 7.946 ( 0.000 0.000 6.081) 6.081 8.042 ( 0.000 0.000 -12.210) 12.210 8.236 ( 0.000 0.000 -4.339) 4.339 8.577 ( 0.000 0.000 5.754) 5.754 8.752 ( 0.000 0.000 -2.812) 2.812 9.272 ( 0.000 0.000 1.363) 1.363 9.382 ( 0.000 0.000 -6.859) 6.859 11.590 ( 0.000 0.000 3.846) 3.846 11.678 ( 0.000 0.000 -0.783) 0.783 12.130 ( 0.000 0.000 4.160) 4.160 12.199 ( 0.000 0.000 0.555) 0.555 13.399 ( 0.000 0.000 3.817) 3.817 13.447 ( 0.000 0.000 1.940) 1.940 14.154 ( 0.000 0.000 4.779) 4.779 14.229 ( 0.000 0.000 1.060) 1.060 15.199 ( 0.000 0.000 0.057) 0.057 15.205 ( 0.000 0.000 -0.223) 0.223 15.910 ( 0.000 0.000 -0.451) 0.451 15.938 ( 0.000 0.000 -1.905) 1.905 15.987 ( 0.000 0.000 -0.655) 0.655 15.991 ( 0.000 0.000 -0.897) 0.897 16.032 ( 0.000 0.000 -0.121) 0.121 16.102 ( 0.000 0.000 -2.250) 2.250 17.398 ( 0.000 0.000 3.282) 3.282 17.531 ( 0.000 0.000 -1.230) 1.230 17.708 ( 0.000 0.000 1.923) 1.923 17.879 ( 0.000 0.000 -4.529) 4.529 26.854 ( 0.000 0.000 -0.022) 0.022 26.856 ( 0.000 0.000 -0.219) 0.219 27.017 ( 0.000 0.000 0.549) 0.549 27.036 ( 0.000 0.000 -0.428) 0.428 27.535 ( 0.000 0.000 9.059) 9.059 27.652 ( 0.000 0.000 8.716) 8.716 27.908 ( 0.000 0.000 -9.193) 9.193 28.028 ( 0.000 0.000 -9.790) 9.790 29.015 ( 0.000 0.000 2.449) 2.449 29.110 ( 0.000 0.000 -2.536) 2.536 29.918 ( 0.000 0.000 9.752) 9.752 30.366 ( 0.000 0.000 -10.820) 10.820 31.350 ( 0.000 0.000 6.431) 6.431 31.457 ( 0.000 0.000 -0.691) 0.691 31.891 ( 0.000 0.000 12.737) 12.737 32.315 ( 0.000 0.000 -8.990) 8.990 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 4.160 0.000 3.436) 5.395 2.033 ( 3.632 0.000 16.177) 16.580 2.168 ( 0.544 0.000 16.968) 16.977 2.210 ( -2.046 0.000 -5.221) 5.607 2.255 ( -5.787 0.000 6.335) 8.580 2.423 ( -6.326 0.000 3.101) 7.045 2.533 ( -10.408 0.000 -7.537) 12.850 2.664 ( 2.678 0.000 -10.410) 10.749 2.673 ( -9.027 0.000 -1.592) 9.166 2.810 ( -1.752 0.000 -11.697) 11.827 3.113 ( 13.389 0.000 7.637) 15.414 3.259 ( 14.267 0.000 -2.351) 14.459 3.688 ( -4.748 0.000 6.027) 7.672 3.770 ( -0.471 0.000 -1.762) 1.823 3.841 ( 3.480 0.000 -1.368) 3.739 3.913 ( 1.986 0.000 -8.168) 8.406 4.405 ( -1.276 0.000 1.781) 2.191 4.525 ( -4.108 0.000 4.839) 6.348 4.584 ( -1.602 0.000 -2.634) 3.083 4.724 ( -2.036 0.000 -7.384) 7.660 4.819 ( 0.739 0.000 0.263) 0.784 4.859 ( 0.647 0.000 2.796) 2.870 4.962 ( 0.853 0.000 4.986) 5.058 5.077 ( 2.565 0.000 0.257) 2.577 5.335 ( 0.090 0.000 4.909) 4.910 5.394 ( -1.155 0.000 2.162) 2.452 5.405 ( 3.869 0.000 13.164) 13.721 5.645 ( 3.176 0.000 4.506) 5.513 5.700 ( 0.992 0.000 -6.770) 6.842 5.755 ( -0.404 0.000 -9.664) 9.672 5.865 ( 0.899 0.000 -2.589) 2.741 6.121 ( -1.880 0.000 3.754) 4.199 6.259 ( 3.264 0.000 1.939) 3.796 6.560 ( -0.717 0.000 1.132) 1.340 6.818 ( -1.794 0.000 -7.953) 8.153 6.904 ( -1.369 0.000 -8.120) 8.235 7.197 ( 0.791 0.000 0.418) 0.894 7.298 ( -2.167 0.000 -4.315) 4.828 7.443 ( 2.692 0.000 -5.632) 6.243 7.490 ( 2.135 0.000 -7.377) 7.680 7.674 ( 4.565 0.000 4.819) 6.638 7.923 ( -1.898 0.000 4.469) 4.855 8.000 ( -4.257 0.000 -9.824) 10.707 8.167 ( -6.960 0.000 -4.575) 8.329 8.602 ( 2.419 0.000 3.960) 4.640 8.740 ( -1.289 0.000 -2.445) 2.764 9.282 ( 1.130 0.000 1.458) 1.845 9.376 ( -0.731 0.000 -4.979) 5.032 11.599 ( 0.882 0.000 3.514) 3.623 11.670 ( -0.881 0.000 -0.198) 0.903 12.137 ( 0.720 0.000 3.669) 3.739 12.193 ( -0.666 0.000 0.784) 1.029 13.432 ( 3.063 0.000 3.341) 4.533 13.464 ( 1.662 0.000 2.180) 2.741 14.143 ( -0.894 0.000 4.526) 4.614 14.211 ( -1.825 0.000 1.109) 2.136 15.199 ( 0.036 0.000 0.027) 0.045 15.204 ( -0.088 0.000 -0.199) 0.218 15.915 ( 0.627 0.000 -0.338) 0.713 15.948 ( 0.979 0.000 -1.966) 2.196 15.988 ( 0.083 0.000 -0.673) 0.678 15.991 ( -0.006 0.000 -0.869) 0.869 16.019 ( -1.276 0.000 0.028) 1.276 16.087 ( -1.582 0.000 -2.373) 2.852 17.415 ( 1.734 0.000 3.323) 3.749 17.529 ( -0.431 0.000 -0.166) 0.462 17.706 ( 0.010 0.000 0.831) 0.831 17.845 ( -3.317 0.000 -3.870) 5.097 26.852 ( -0.233 0.000 -0.115) 0.260 26.853 ( -0.202 0.000 -0.132) 0.241 27.018 ( 0.181 0.000 0.429) 0.465 27.033 ( -0.246 0.000 -0.331) 0.412 27.544 ( 0.930 0.000 8.941) 8.989 27.637 ( -1.513 0.000 8.511) 8.645 27.923 ( 1.540 0.000 -9.012) 9.142 28.019 ( -0.979 0.000 -9.646) 9.695 29.056 ( 4.654 0.000 3.223) 5.661 29.181 ( 6.206 0.000 -2.941) 6.867 29.887 ( -2.331 0.000 7.732) 8.076 30.287 ( -8.300 0.000 -10.659) 13.509 31.329 ( -1.922 0.000 6.253) 6.542 31.382 ( -5.492 0.000 3.347) 6.432 32.004 ( 9.613 0.000 7.931) 12.462 32.315 ( -0.385 0.000 -7.130) 7.140 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 5.834 0.000 3.790) 6.957 2.090 ( -0.584 0.000 13.514) 13.527 2.146 ( -2.248 0.000 5.694) 6.122 2.152 ( -3.581 0.000 -0.355) 3.599 2.185 ( 2.228 0.000 -3.596) 4.231 2.292 ( -7.339 0.000 4.618) 8.671 2.464 ( 2.504 0.000 2.075) 3.252 2.551 ( -5.569 0.000 5.485) 7.817 2.715 ( 2.821 0.000 -11.328) 11.674 2.767 ( -2.730 0.000 -11.817) 12.128 3.309 ( 8.561 0.000 5.467) 10.158 3.423 ( -0.377 0.000 -1.227) 1.283 3.633 ( 3.082 0.000 3.431) 4.612 3.737 ( -4.313 0.000 -1.034) 4.435 3.912 ( 3.430 0.000 -5.150) 6.187 3.942 ( 0.420 0.000 -7.781) 7.792 4.392 ( 0.575 0.000 5.090) 5.122 4.440 ( -4.319 0.000 6.526) 7.826 4.591 ( 2.634 0.000 -4.099) 4.872 4.662 ( -4.231 0.000 -6.496) 7.752 4.840 ( 1.366 0.000 -0.059) 1.367 4.860 ( -0.600 0.000 0.802) 1.001 5.014 ( 4.044 0.000 5.261) 6.635 5.079 ( -2.272 0.000 2.813) 3.616 5.343 ( 0.922 0.000 4.364) 4.460 5.367 ( -1.564 0.000 3.305) 3.656 5.512 ( 7.408 0.000 10.971) 13.238 5.640 ( -4.905 0.000 6.144) 7.862 5.722 ( 1.280 0.000 -7.649) 7.756 5.743 ( -0.924 0.000 -8.756) 8.804 5.925 ( 6.003 0.000 5.662) 8.251 6.042 ( -5.818 0.000 7.964) 9.863 6.373 ( 7.853 0.000 -6.388) 10.123 6.507 ( -5.623 0.000 -4.032) 6.919 6.811 ( 1.732 0.000 -6.911) 7.125 6.863 ( -3.002 0.000 -7.231) 7.829 7.219 ( 1.592 0.000 -0.258) 1.613 7.255 ( -2.264 0.000 -1.723) 2.845 7.502 ( 2.950 0.000 -6.405) 7.052 7.524 ( 0.817 0.000 -7.551) 7.595 7.779 ( 6.431 0.000 -0.068) 6.431 7.899 ( -6.334 0.000 -5.070) 8.113 7.912 ( 1.993 0.000 0.625) 2.089 8.015 ( -8.305 0.000 -3.412) 8.978 8.654 ( 3.023 0.000 0.941) 3.166 8.706 ( -2.409 0.000 -1.256) 2.717 9.314 ( 2.127 0.000 0.819) 2.279 9.352 ( -1.842 0.000 -1.567) 2.418 11.621 ( 1.423 0.000 2.557) 2.926 11.648 ( -1.423 0.000 1.159) 1.835 12.155 ( 1.137 0.000 2.560) 2.801 12.176 ( -1.104 0.000 1.478) 1.845 13.485 ( 2.021 0.000 2.801) 3.454 13.494 ( 1.011 0.000 2.541) 2.735 14.137 ( 0.614 0.000 3.385) 3.441 14.168 ( -2.461 0.000 1.815) 3.058 15.200 ( 0.084 0.000 -0.048) 0.097 15.202 ( -0.115 0.000 -0.135) 0.177 15.935 ( 1.514 0.000 -0.258) 1.536 15.961 ( -0.562 0.000 -1.077) 1.214 15.990 ( 0.097 0.000 -0.725) 0.732 15.991 ( -0.049 0.000 -0.800) 0.802 16.005 ( 0.957 0.000 -0.989) 1.376 16.046 ( -2.664 0.000 -2.234) 3.477 17.458 ( 2.775 0.000 3.180) 4.221 17.506 ( -2.125 0.000 2.072) 2.968 17.721 ( 1.891 0.000 -1.385) 2.344 17.775 ( -3.740 0.000 -2.737) 4.634 26.849 ( -0.094 0.000 -0.143) 0.171 26.849 ( -0.151 0.000 -0.144) 0.209 27.023 ( 0.263 0.000 0.175) 0.316 27.028 ( -0.309 0.000 -0.100) 0.325 27.568 ( 1.673 0.000 8.657) 8.818 27.603 ( -1.989 0.000 8.425) 8.657 27.958 ( 2.043 0.000 -8.987) 9.216 27.994 ( -1.740 0.000 -9.297) 9.458 29.172 ( 6.910 0.000 3.616) 7.799 29.255 ( -0.364 0.000 0.338) 0.496 29.901 ( 5.715 0.000 -0.396) 5.729 30.086 ( -12.324 0.000 -8.217) 14.812 31.298 ( -0.869 0.000 6.209) 6.270 31.309 ( -2.215 0.000 5.855) 6.260 32.175 ( 8.004 0.000 2.296) 8.327 32.282 ( -3.635 0.000 -2.803) 4.591 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.000 17.478 3.315) 17.790 2.102 ( 0.000 9.475 16.234) 18.796 2.187 ( 0.000 3.322 17.444) 17.757 2.326 ( 0.000 1.859 7.631) 7.854 2.369 ( 0.000 13.200 -2.562) 13.446 2.541 ( 0.000 3.924 0.235) 3.931 2.592 ( 0.000 -2.545 -7.506) 7.926 2.802 ( 0.000 0.276 -10.997) 11.000 2.874 ( 0.000 8.112 -3.216) 8.726 2.923 ( 0.000 11.632 -4.577) 12.500 2.967 ( 0.000 2.446 1.579) 2.911 3.092 ( 0.000 9.269 -0.582) 9.287 3.736 ( 0.000 0.814 5.015) 5.081 3.792 ( 0.000 1.370 -0.147) 1.378 3.826 ( 0.000 2.124 0.259) 2.140 3.939 ( 0.000 4.433 -7.220) 8.472 4.276 ( 0.000 -10.515 1.773) 10.664 4.546 ( 0.000 -2.145 2.489) 3.286 4.688 ( 0.000 3.281 -2.914) 4.388 4.704 ( 0.000 -2.241 -3.747) 4.366 4.856 ( 0.000 1.468 4.075) 4.332 4.863 ( 0.000 3.790 -0.676) 3.850 5.030 ( 0.000 4.520 4.936) 6.693 5.089 ( 0.000 6.287 0.452) 6.303 5.184 ( 0.000 -8.958 6.486) 11.060 5.356 ( 0.000 -4.577 0.963) 4.677 5.483 ( 0.000 5.530 9.683) 11.151 5.493 ( 0.000 -7.099 2.759) 7.616 5.698 ( 0.000 -5.197 -8.779) 10.202 5.774 ( 0.000 4.300 -6.986) 8.203 5.856 ( 0.000 -0.481 -8.733) 8.747 6.048 ( 0.000 -7.229 -9.270) 11.755 6.301 ( 0.000 4.815 15.356) 16.093 6.571 ( 0.000 0.783 3.339) 3.430 6.840 ( 0.000 -0.044 -6.555) 6.555 6.852 ( 0.000 -6.183 -7.485) 9.708 7.104 ( 0.000 -14.489 -0.017) 14.489 7.252 ( 0.000 -0.812 -0.055) 0.814 7.291 ( 0.000 -8.090 -8.719) 11.894 7.364 ( 0.000 -3.060 -5.794) 6.553 7.848 ( 0.000 9.210 4.043) 10.058 8.001 ( 0.000 8.585 3.931) 9.442 8.138 ( 0.000 6.889 -9.821) 11.996 8.251 ( 0.000 1.950 -3.658) 4.145 8.560 ( 0.000 -1.686 5.282) 5.544 8.715 ( 0.000 -3.714 -2.246) 4.341 9.218 ( 0.000 -5.550 0.977) 5.636 9.329 ( 0.000 -5.406 -7.181) 8.989 11.615 ( 0.000 2.562 3.920) 4.683 11.708 ( 0.000 2.939 -0.906) 3.076 12.123 ( 0.000 -0.778 3.996) 4.071 12.185 ( 0.000 -1.563 0.718) 1.720 13.429 ( 0.000 3.032 3.805) 4.865 13.475 ( 0.000 2.852 1.959) 3.459 14.121 ( 0.000 -3.423 4.757) 5.861 14.193 ( 0.000 -3.590 1.091) 3.752 15.214 ( 0.000 1.692 0.291) 1.717 15.233 ( 0.000 2.964 -0.751) 3.057 15.885 ( 0.000 -2.273 -0.445) 2.316 15.897 ( 0.000 -3.327 -1.089) 3.500 16.011 ( 0.000 1.649 -0.972) 1.914 16.017 ( 0.000 2.029 -1.319) 2.420 16.036 ( 0.000 0.395 -0.333) 0.517 16.100 ( 0.000 -0.201 -2.193) 2.202 17.411 ( 0.000 1.306 3.125) 3.387 17.532 ( 0.000 0.067 -0.911) 0.913 17.698 ( 0.000 -1.020 1.438) 1.764 17.830 ( 0.000 -4.644 -3.017) 5.538 26.849 ( 0.000 -0.438 -0.006) 0.438 26.854 ( 0.000 0.055 -0.147) 0.157 27.010 ( 0.000 -0.720 0.473) 0.861 27.025 ( 0.000 -1.033 -0.329) 1.084 27.635 ( 0.000 8.238 6.551) 10.525 27.705 ( 0.000 6.265 7.639) 9.879 27.924 ( 0.000 1.350 -7.203) 7.329 28.056 ( 0.000 2.764 -9.391) 9.790 29.028 ( 0.000 1.484 2.742) 3.118 29.147 ( 0.000 3.660 -3.521) 5.079 29.917 ( 0.000 -0.008 9.083) 9.083 30.351 ( 0.000 -1.579 -10.999) 11.112 31.356 ( 0.000 0.690 6.212) 6.250 31.439 ( 0.000 -1.642 0.559) 1.734 31.854 ( 0.000 -3.609 12.500) 13.011 32.243 ( 0.000 -7.179 -7.147) 10.130 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 2.025 14.744 3.788) 15.356 2.132 ( 2.754 8.541 16.151) 18.477 2.167 ( -1.866 1.901 12.431) 12.713 2.271 ( -5.614 2.016 4.000) 7.182 2.364 ( -0.698 14.058 -1.987) 14.215 2.487 ( -3.064 4.317 2.050) 5.677 2.517 ( -8.297 -1.016 -4.584) 9.534 2.708 ( -8.934 7.662 -3.904) 12.400 2.771 ( 0.919 6.481 -9.713) 11.713 2.872 ( -1.911 5.985 -7.320) 9.647 3.171 ( 12.394 6.325 7.653) 15.880 3.312 ( 13.569 5.684 -2.083) 14.858 3.692 ( -3.531 0.894 4.835) 6.053 3.791 ( 0.217 1.928 -2.077) 2.842 3.872 ( 3.509 3.303 -0.687) 4.868 3.953 ( 1.575 3.839 -8.029) 9.038 4.282 ( 1.074 -8.944 3.570) 9.690 4.508 ( -3.859 -1.524 4.049) 5.797 4.641 ( -3.031 1.582 -3.355) 4.791 4.717 ( -0.667 -0.648 -5.441) 5.520 4.839 ( -0.817 1.748 0.723) 2.061 4.873 ( 0.212 1.626 2.020) 2.602 5.013 ( 0.297 5.191 5.569) 7.619 5.110 ( 0.310 1.264 5.063) 5.228 5.217 ( 3.179 -5.222 2.081) 6.458 5.344 ( -1.023 -4.707 2.077) 5.246 5.502 ( 2.001 5.000 8.737) 10.264 5.538 ( 4.134 -5.984 2.025) 7.550 5.693 ( -0.559 -4.792 -7.241) 8.701 5.780 ( -0.104 3.205 -5.919) 6.732 5.861 ( 1.239 -0.813 -5.839) 6.025 6.069 ( 1.063 -6.026 -6.174) 8.693 6.296 ( 0.724 4.106 9.751) 10.605 6.565 ( -1.187 0.422 2.083) 2.435 6.789 ( -3.253 -4.040 -6.777) 8.534 6.858 ( -0.867 -3.121 -5.883) 6.716 7.133 ( 2.991 -12.004 -0.485) 12.381 7.251 ( 0.162 -0.777 -1.941) 2.097 7.320 ( 2.337 -6.766 -7.083) 10.070 7.368 ( 0.544 -5.804 -6.278) 8.567 7.854 ( 0.416 5.826 3.961) 7.058 7.976 ( -1.587 10.139 1.411) 10.359 8.121 ( -2.381 8.983 -7.631) 12.025 8.167 ( -7.482 0.326 -3.807) 8.401 8.594 ( 2.967 -0.794 3.659) 4.778 8.710 ( -0.616 -3.083 -1.722) 3.584 9.229 ( 1.207 -5.433 0.933) 5.643 9.322 ( -0.791 -5.505 -5.467) 7.799 11.626 ( 1.101 2.759 3.552) 4.630 11.701 ( -0.759 3.066 -0.309) 3.174 12.128 ( 0.512 -0.985 3.533) 3.703 12.178 ( -0.731 -1.604 0.912) 1.984 13.459 ( 2.768 2.709 3.427) 5.172 13.490 ( 1.508 2.688 2.199) 3.786 14.111 ( -0.748 -3.253 4.476) 5.584 14.177 ( -1.736 -3.510 1.175) 4.089 15.216 ( 0.203 1.852 0.197) 1.873 15.231 ( -0.204 2.870 -0.633) 2.946 15.888 ( 0.414 -2.430 -0.414) 2.499 15.902 ( 0.493 -3.545 -1.066) 3.735 16.010 ( -0.105 1.542 -0.878) 1.778 16.017 ( -0.101 1.443 -1.163) 1.856 16.027 ( -0.615 1.171 -0.487) 1.410 16.087 ( -1.379 -0.047 -2.265) 2.652 17.426 ( 1.568 1.159 3.161) 3.714 17.530 ( -0.434 0.054 0.042) 0.440 17.696 ( -0.087 -1.075 0.545) 1.209 17.803 ( -2.639 -4.013 -2.639) 5.480 26.847 ( -0.121 -0.316 -0.007) 0.338 26.852 ( -0.170 0.064 -0.159) 0.241 27.011 ( 0.126 -0.768 0.379) 0.865 27.023 ( -0.201 -0.995 -0.264) 1.049 27.637 ( 0.263 7.845 6.854) 10.421 27.694 ( -1.132 6.378 7.576) 9.968 27.941 ( 1.719 1.550 -7.302) 7.660 28.047 ( -0.982 2.755 -9.188) 9.642 29.073 ( 4.936 1.819 3.252) 6.185 29.216 ( 6.105 3.505 -3.993) 8.093 29.880 ( -2.965 -0.659 7.361) 7.963 30.270 ( -8.556 -1.876 -10.720) 13.843 31.337 ( -1.765 0.831 6.161) 6.462 31.381 ( -4.314 -0.004 3.949) 5.848 31.956 ( 8.752 -4.798 8.195) 12.914 32.243 ( -0.347 -7.199 -5.527) 9.083 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -0.550 2.839 6.388) 7.012 2.112 ( -2.077 2.076 4.227) 5.147 2.199 ( 0.663 7.677 -1.496) 7.849 2.210 ( 3.206 9.205 12.581) 15.915 2.321 ( -2.734 10.851 -4.594) 12.097 2.370 ( -6.516 4.185 2.427) 8.116 2.496 ( 3.700 5.745 3.746) 7.793 2.584 ( -5.323 6.601 1.784) 8.665 2.805 ( 1.976 7.208 -9.367) 11.984 2.840 ( -1.839 7.199 -8.121) 11.008 3.350 ( 7.655 4.270 6.052) 10.652 3.453 ( -1.152 3.030 -0.042) 3.241 3.676 ( 4.620 4.900 3.249) 7.477 3.776 ( -3.341 4.177 -0.515) 5.374 3.937 ( 3.461 2.497 -4.084) 5.907 3.975 ( -0.164 3.078 -7.051) 7.695 4.330 ( 4.121 -4.559 5.351) 8.149 4.420 ( -5.288 -1.543 5.636) 7.881 4.613 ( 0.831 0.123 -4.759) 4.832 4.667 ( -3.991 -0.327 -6.422) 7.568 4.845 ( 1.270 0.483 0.719) 1.537 4.867 ( -0.870 0.730 1.413) 1.812 5.046 ( 2.652 3.278 5.911) 7.261 5.092 ( -2.016 0.539 6.093) 6.440 5.276 ( 2.941 -4.244 1.765) 5.457 5.320 ( -1.756 -3.942 3.105) 5.317 5.556 ( 3.603 2.682 6.410) 7.827 5.597 ( 0.716 -3.396 -0.126) 3.473 5.686 ( 0.710 -3.508 -3.673) 5.129 5.737 ( -3.852 -0.139 -3.348) 5.105 5.935 ( 6.058 -0.226 -0.758) 6.109 6.040 ( -4.366 -1.828 0.309) 4.743 6.367 ( 6.603 0.189 -0.742) 6.648 6.497 ( -6.287 -0.854 -1.959) 6.640 6.769 ( 1.586 -4.025 -4.506) 6.247 6.820 ( -2.969 -3.436 -4.861) 6.652 7.198 ( 3.532 -5.557 -1.175) 6.689 7.246 ( -1.301 -0.445 -2.010) 2.436 7.359 ( 1.866 -7.616 -6.580) 10.236 7.379 ( 0.055 -10.791 -7.808) 13.319 7.869 ( 2.297 1.473 2.404) 3.637 7.951 ( -4.066 5.648 0.060) 6.960 8.032 ( -1.563 7.971 -3.881) 9.003 8.075 ( -3.635 9.627 -6.051) 11.937 8.649 ( 2.727 -0.718 1.344) 3.124 8.690 ( -1.658 -1.742 -0.474) 2.451 9.261 ( 2.068 -5.425 0.122) 5.807 9.298 ( -1.793 -5.536 -2.237) 6.235 11.652 ( 1.598 3.109 2.537) 4.319 11.680 ( -1.394 3.229 1.089) 3.682 12.142 ( 0.948 -1.379 2.491) 3.001 12.161 ( -1.077 -1.604 1.509) 2.452 13.507 ( 1.903 2.262 2.960) 4.184 13.517 ( 0.847 2.339 2.615) 3.610 14.107 ( 0.616 -3.076 3.357) 4.595 14.136 ( -2.302 -3.249 1.876) 4.402 15.221 ( 0.302 2.219 -0.043) 2.240 15.226 ( -0.309 2.601 -0.351) 2.642 15.901 ( 0.811 -3.029 -0.502) 3.176 15.909 ( 0.072 -3.760 -0.859) 3.858 16.007 ( -0.181 1.050 -0.471) 1.165 16.009 ( -0.371 0.918 -0.527) 1.122 16.029 ( 0.750 1.971 -1.669) 2.690 16.054 ( -1.860 0.765 -2.146) 2.941 17.465 ( 2.494 0.745 3.032) 3.996 17.508 ( -1.921 0.256 2.033) 2.809 17.706 ( 1.416 -1.550 -1.190) 2.413 17.748 ( -2.944 -2.674 -2.049) 4.474 26.846 ( 0.037 -0.095 -0.059) 0.118 26.849 ( -0.204 0.039 -0.137) 0.249 27.014 ( 0.217 -0.851 0.158) 0.892 27.019 ( -0.266 -0.923 -0.084) 0.964 27.647 ( 0.925 7.156 7.314) 10.274 27.669 ( -1.403 6.660 7.513) 10.137 27.980 ( 2.302 2.036 -7.783) 8.368 28.020 ( -1.909 2.526 -8.555) 9.122 29.195 ( 7.381 2.521 3.159) 8.415 29.287 ( -0.697 3.386 -0.638) 3.515 29.882 ( 5.304 -1.967 -0.383) 5.670 30.065 ( -12.402 -2.197 -8.183) 15.020 31.310 ( -0.609 1.294 6.330) 6.489 31.322 ( -1.910 1.464 5.973) 6.440 32.113 ( 7.402 -6.193 2.948) 10.091 32.212 ( -3.353 -6.979 -1.698) 7.926 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 5.619 13.477) 14.601 2.283 ( 0.000 7.452 14.180) 16.019 2.371 ( 0.000 3.199 5.488) 6.352 2.466 ( 0.000 18.523 4.952) 19.173 2.553 ( 0.000 1.853 -4.748) 5.097 2.626 ( 0.000 5.541 -1.206) 5.671 2.687 ( 0.000 18.061 -1.475) 18.121 2.793 ( 0.000 -0.766 -6.664) 6.708 3.003 ( 0.000 0.759 7.715) 7.752 3.119 ( 0.000 16.156 -3.341) 16.498 3.140 ( 0.000 9.369 -0.137) 9.369 3.364 ( 0.000 17.661 -6.954) 18.981 3.787 ( 0.000 4.549 0.531) 4.580 3.808 ( 0.000 -0.304 -0.191) 0.359 3.895 ( 0.000 4.957 -1.938) 5.323 4.038 ( 0.000 5.208 -7.009) 8.732 4.086 ( 0.000 -8.321 6.450) 10.528 4.478 ( 0.000 -5.264 2.369) 5.773 4.655 ( 0.000 -3.452 1.900) 3.940 4.698 ( 0.000 -1.577 0.118) 1.581 4.892 ( 0.000 1.211 5.700) 5.827 4.905 ( 0.000 -1.628 -2.737) 3.184 5.039 ( 0.000 -1.979 7.712) 7.962 5.147 ( 0.000 5.642 2.640) 6.229 5.217 ( 0.000 5.588 1.822) 5.877 5.259 ( 0.000 -4.903 -2.562) 5.533 5.394 ( 0.000 -2.057 -0.335) 2.085 5.570 ( 0.000 3.511 7.680) 8.445 5.608 ( 0.000 -2.635 -10.164) 10.500 5.814 ( 0.000 -0.320 -12.618) 12.622 5.828 ( 0.000 -3.976 -11.106) 11.796 5.875 ( 0.000 -8.454 -8.772) 12.183 6.399 ( 0.000 4.825 12.337) 13.248 6.584 ( 0.000 -0.078 4.931) 4.932 6.719 ( 0.000 -5.807 -4.024) 7.065 6.791 ( 0.000 -10.903 -0.808) 10.932 6.853 ( 0.000 -3.783 -0.942) 3.898 7.055 ( 0.000 -13.397 -7.932) 15.569 7.298 ( 0.000 3.876 -2.222) 4.467 7.375 ( 0.000 1.779 -5.855) 6.119 7.924 ( 0.000 2.081 6.677) 6.994 8.222 ( 0.000 1.860 -6.603) 6.860 8.249 ( 0.000 13.612 -0.546) 13.623 8.321 ( 0.000 4.533 -1.193) 4.688 8.522 ( 0.000 -1.929 3.617) 4.099 8.622 ( 0.000 -5.458 -1.165) 5.581 9.068 ( 0.000 -9.739 0.001) 9.739 9.184 ( 0.000 -9.332 -7.946) 12.257 11.686 ( 0.000 4.735 3.995) 6.195 11.782 ( 0.000 4.614 -0.893) 4.700 12.097 ( 0.000 -1.986 3.400) 3.937 12.134 ( 0.000 -3.860 1.387) 4.102 13.511 ( 0.000 5.302 3.811) 6.529 13.553 ( 0.000 5.231 1.931) 5.576 14.029 ( 0.000 -5.861 4.644) 7.477 14.097 ( 0.000 -6.232 1.194) 6.345 15.270 ( 0.000 4.301 0.782) 4.372 15.317 ( 0.000 5.641 -1.764) 5.911 15.820 ( 0.000 -4.643 -0.487) 4.668 15.829 ( 0.000 -3.567 -0.666) 3.629 16.041 ( 0.000 0.947 -1.127) 1.472 16.050 ( 0.000 1.449 -0.749) 1.631 16.051 ( 0.000 1.404 -1.594) 2.125 16.095 ( 0.000 -0.183 -1.941) 1.949 17.445 ( 0.000 2.091 2.634) 3.363 17.532 ( 0.000 -0.090 -0.154) 0.178 17.672 ( 0.000 -1.651 0.549) 1.740 17.727 ( 0.000 -5.313 -0.408) 5.328 26.850 ( 0.000 0.648 0.111) 0.658 26.861 ( 0.000 0.709 -0.313) 0.775 26.989 ( 0.000 -1.363 0.307) 1.397 26.999 ( 0.000 -1.641 -0.231) 1.657 27.759 ( 0.000 5.286 6.328) 8.245 27.906 ( 0.000 11.970 0.877) 12.002 27.945 ( 0.000 0.554 -3.080) 3.130 28.122 ( 0.000 3.683 -8.205) 8.993 29.078 ( 0.000 3.855 3.285) 5.064 29.235 ( 0.000 4.862 -4.703) 6.764 29.926 ( 0.000 1.218 6.449) 6.563 30.302 ( 0.000 -3.634 -11.034) 11.617 31.377 ( 0.000 1.419 5.684) 5.859 31.404 ( 0.000 -1.646 3.489) 3.858 31.767 ( 0.000 -4.871 11.760) 12.729 32.066 ( 0.000 -10.427 -3.022) 10.856 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -5.459 2.614 9.840) 11.552 2.283 ( -5.583 4.094 5.094) 8.595 2.315 ( -0.358 6.907 8.857) 11.238 2.436 ( -3.467 10.189 0.505) 10.775 2.486 ( -5.540 1.580 -3.571) 6.778 2.612 ( -0.264 11.151 7.222) 13.288 2.689 ( -0.693 16.753 -0.164) 16.768 2.833 ( 2.730 4.649 -1.679) 5.647 2.963 ( -1.958 7.477 -2.812) 8.225 3.018 ( -3.108 13.919 -8.808) 16.763 3.325 ( 10.955 7.908 8.307) 15.861 3.494 ( 8.053 13.177 -2.832) 15.700 3.737 ( -0.510 3.339 1.372) 3.646 3.836 ( 2.637 2.991 -1.658) 4.319 3.967 ( 4.138 6.087 -1.350) 7.483 4.031 ( -0.113 2.759 -5.443) 6.103 4.134 ( 5.289 -4.785 6.168) 9.429 4.463 ( -2.264 -3.348 4.566) 6.098 4.616 ( -3.540 -3.797 -1.388) 5.374 4.675 ( -2.389 -4.379 -0.383) 5.003 4.871 ( -1.760 0.945 0.842) 2.168 4.903 ( -0.305 0.994 2.178) 2.413 5.039 ( 0.305 -3.439 7.161) 7.949 5.139 ( -0.179 7.119 4.210) 8.273 5.220 ( -2.155 -4.199 -5.030) 6.898 5.268 ( 3.045 2.411 2.483) 4.609 5.457 ( 5.574 -1.460 -0.453) 5.780 5.573 ( 0.222 1.083 2.768) 2.981 5.620 ( 0.998 -0.596 -4.592) 4.737 5.791 ( -2.370 -2.608 -8.080) 8.815 5.824 ( 0.616 -3.257 -11.313) 11.789 5.915 ( 2.961 -8.182 -10.779) 13.852 6.389 ( -0.666 4.738 10.759) 11.775 6.572 ( -2.225 -0.079 4.555) 5.070 6.668 ( -2.576 -6.765 -2.634) 7.703 6.808 ( -1.527 -3.481 -2.996) 4.840 6.887 ( 5.448 -10.327 0.444) 11.685 7.091 ( 3.723 -12.245 -8.449) 15.336 7.288 ( -1.655 2.008 -2.569) 3.656 7.346 ( -3.038 -0.072 -5.670) 6.432 7.907 ( -1.055 2.657 6.024) 6.668 8.190 ( -8.453 4.041 -0.205) 9.371 8.217 ( 0.071 8.494 -5.005) 9.859 8.285 ( -0.303 8.743 -3.811) 9.542 8.574 ( 3.554 -1.128 3.041) 4.811 8.628 ( 0.650 -5.009 -0.014) 5.051 9.081 ( 1.299 -9.760 -0.394) 9.854 9.175 ( -0.997 -9.491 -6.747) 11.687 11.700 ( 1.390 4.801 3.612) 6.166 11.778 ( -0.525 4.729 -0.311) 4.768 12.098 ( 0.060 -2.225 3.066) 3.789 12.128 ( -0.624 -3.694 1.440) 4.014 13.532 ( 2.052 4.850 3.593) 6.375 13.564 ( 1.033 4.916 2.179) 5.475 14.024 ( -0.388 -5.624 4.326) 7.106 14.083 ( -1.453 -6.051 1.340) 6.366 15.276 ( 0.602 4.538 0.561) 4.612 15.314 ( -0.351 5.654 -1.495) 5.859 15.820 ( 0.050 -4.870 -0.415) 4.888 15.828 ( -0.031 -3.894 -0.765) 3.968 16.035 ( -0.578 0.834 -0.949) 1.389 16.041 ( -0.538 1.544 -1.021) 1.928 16.057 ( 0.232 1.373 -1.402) 1.976 16.087 ( -0.846 0.074 -1.927) 2.106 17.457 ( 1.219 1.932 2.657) 3.504 17.531 ( -0.261 0.070 0.492) 0.562 17.668 ( -0.338 -1.769 0.093) 1.803 17.713 ( -1.376 -4.736 -0.452) 4.953 26.850 ( 0.059 0.718 0.081) 0.725 26.859 ( -0.126 0.753 -0.289) 0.816 26.990 ( 0.049 -1.398 0.240) 1.419 26.998 ( -0.138 -1.615 -0.201) 1.633 27.767 ( 0.879 5.933 6.254) 8.665 27.883 ( -2.195 11.057 2.283) 11.501 27.968 ( 2.293 0.959 -3.636) 4.404 28.111 ( -1.265 3.455 -7.809) 8.632 29.131 ( 5.728 4.375 3.095) 7.844 29.304 ( 6.395 5.058 -5.701) 9.949 29.870 ( -5.029 -0.079 5.688) 7.593 30.214 ( -9.101 -3.991 -10.502) 14.459 31.357 ( -1.186 1.233 6.366) 6.592 31.395 ( -1.073 1.874 4.756) 5.223 31.836 ( 6.251 -7.168 8.807) 12.962 32.064 ( -0.493 -10.694 -1.945) 10.880 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -1.034 1.708 3.947) 4.423 2.162 ( -5.242 2.612 1.227) 5.984 2.313 ( 0.392 2.260 -0.133) 2.297 2.364 ( -5.004 -1.274 -3.388) 6.176 2.455 ( 3.717 12.515 7.935) 15.277 2.549 ( -5.586 11.792 8.538) 15.593 2.727 ( 4.001 14.113 1.062) 14.708 2.805 ( -4.209 11.054 1.076) 11.877 2.975 ( 3.008 12.454 -7.907) 15.055 3.015 ( -0.480 12.097 -5.102) 13.138 3.462 ( 4.918 6.510 5.949) 10.097 3.535 ( -2.501 5.463 1.676) 6.238 3.826 ( 7.323 10.023 2.973) 12.765 3.893 ( 1.247 7.437 0.821) 7.585 4.006 ( 1.441 4.894 -0.842) 5.171 4.035 ( -0.508 2.504 -2.908) 3.871 4.267 ( 7.885 -1.575 5.635) 9.819 4.389 ( -5.354 -1.791 6.571) 8.664 4.561 ( -0.934 -5.506 -4.755) 7.334 4.608 ( -4.628 -6.414 -4.112) 8.915 4.860 ( 0.987 1.246 1.622) 2.271 4.888 ( -1.386 1.631 2.828) 3.547 5.059 ( 1.955 -3.169 4.873) 6.133 5.108 ( -3.012 0.389 3.568) 4.685 5.233 ( 3.252 0.306 -1.670) 3.668 5.288 ( -1.481 1.757 0.406) 2.334 5.557 ( 4.011 0.107 -3.355) 5.230 5.579 ( 0.441 0.026 -2.748) 2.783 5.642 ( 2.028 -0.465 1.356) 2.484 5.718 ( -5.083 -2.128 -1.897) 5.828 5.876 ( 4.329 -6.079 -9.792) 12.312 5.938 ( -1.258 -7.914 -10.519) 13.223 6.401 ( 2.658 2.956 6.701) 7.792 6.486 ( -5.810 -0.027 2.953) 6.517 6.679 ( 3.044 -4.998 -0.437) 5.868 6.750 ( -4.058 -4.124 -1.738) 6.041 7.025 ( 8.784 -9.112 -1.266) 12.720 7.159 ( -0.597 -9.348 -5.847) 11.042 7.222 ( -1.768 -3.642 -4.855) 6.321 7.282 ( -3.826 -3.438 -6.562) 8.338 7.919 ( 2.992 4.668 4.223) 6.970 8.023 ( -8.115 4.906 2.053) 9.702 8.236 ( 1.734 9.836 -5.951) 11.626 8.270 ( -1.565 9.595 -5.671) 11.255 8.623 ( 1.692 -1.972 2.590) 3.669 8.637 ( 0.027 -3.507 1.725) 3.908 9.112 ( 1.985 -9.791 -1.751) 10.143 9.148 ( -1.805 -9.723 -4.135) 10.718 11.731 ( 1.837 4.922 2.571) 5.850 11.761 ( -1.309 4.913 1.095) 5.201 12.102 ( 0.452 -2.761 2.316) 3.632 12.114 ( -0.798 -3.291 1.699) 3.789 13.570 ( 1.592 4.200 3.210) 5.521 13.581 ( 0.405 4.294 2.718) 5.098 14.025 ( 0.645 -5.348 3.291) 6.312 14.050 ( -1.893 -5.595 2.018) 6.242 15.290 ( 0.830 5.074 -0.030) 5.142 15.304 ( -0.688 5.520 -0.812) 5.622 15.824 ( 0.259 -5.128 -0.525) 5.161 15.827 ( -0.116 -4.708 -0.770) 4.772 16.026 ( -0.196 1.111 -0.774) 1.368 16.030 ( -0.557 1.214 -0.844) 1.580 16.061 ( 0.317 1.232 -1.625) 2.064 16.071 ( -0.743 0.774 -1.829) 2.121 17.486 ( 1.840 1.432 2.572) 3.472 17.517 ( -1.303 0.669 1.863) 2.370 17.667 ( 0.448 -2.378 -0.686) 2.516 17.685 ( -1.441 -3.500 -0.699) 3.850 26.852 ( 0.183 0.823 -0.030) 0.843 26.856 ( -0.221 0.828 -0.186) 0.877 26.992 ( 0.131 -1.473 0.075) 1.480 26.995 ( -0.185 -1.552 -0.096) 1.566 27.793 ( 1.955 7.499 5.782) 9.669 27.836 ( -2.640 9.368 4.437) 10.696 28.020 ( 3.138 1.729 -4.837) 6.019 28.075 ( -2.623 2.707 -6.467) 7.485 29.272 ( 8.633 5.546 1.815) 10.420 29.384 ( -0.904 6.545 -3.130) 7.311 29.828 ( 3.654 -3.646 -0.285) 5.170 30.002 ( -12.553 -4.345 -7.928) 15.470 31.351 ( 0.503 3.090 6.736) 7.428 31.370 ( -1.430 3.661 5.991) 7.166 31.954 ( 5.860 -9.749 4.475) 12.223 32.036 ( -2.860 -10.791 0.795) 11.192 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 0.000 2.738 6.996) 7.513 2.377 ( 0.000 5.393 8.934) 10.436 2.438 ( 0.000 2.667 1.953) 3.305 2.479 ( 0.000 -2.762 -1.155) 2.994 2.752 ( 0.000 5.924 4.866) 7.666 2.775 ( 0.000 0.318 1.016) 1.065 2.881 ( 0.000 14.481 4.024) 15.030 2.967 ( 0.000 4.294 10.755) 11.580 3.041 ( 0.000 10.193 -0.734) 10.219 3.264 ( 0.000 2.870 -1.244) 3.128 3.432 ( 0.000 14.887 -4.215) 15.472 3.686 ( 0.000 14.574 -8.734) 16.991 3.768 ( 0.000 -3.781 -2.115) 4.332 3.885 ( 0.000 4.555 -2.650) 5.270 3.986 ( 0.000 1.471 9.070) 9.188 4.009 ( 0.000 3.744 0.036) 3.745 4.109 ( 0.000 1.397 -8.360) 8.476 4.326 ( 0.000 -11.176 5.943) 12.658 4.561 ( 0.000 -4.495 8.459) 9.579 4.640 ( 0.000 -4.409 3.778) 5.806 4.857 ( 0.000 -1.316 -1.893) 2.306 4.886 ( 0.000 -1.635 4.952) 5.215 5.064 ( 0.000 2.739 3.628) 4.546 5.174 ( 0.000 -3.648 -2.995) 4.720 5.261 ( 0.000 6.208 1.453) 6.376 5.285 ( 0.000 2.465 2.004) 3.177 5.410 ( 0.000 1.728 -7.925) 8.111 5.586 ( 0.000 -4.573 -14.382) 15.091 5.618 ( 0.000 1.944 5.487) 5.821 5.692 ( 0.000 -2.578 -7.998) 8.403 5.787 ( 0.000 -1.082 -16.560) 16.596 5.807 ( 0.000 -2.017 -10.453) 10.646 6.464 ( 0.000 1.031 10.517) 10.568 6.530 ( 0.000 -4.480 3.880) 5.927 6.608 ( 0.000 -4.625 0.016) 4.625 6.695 ( 0.000 2.242 2.070) 3.052 6.810 ( 0.000 -11.497 -4.610) 12.387 6.812 ( 0.000 -2.428 0.717) 2.531 7.377 ( 0.000 3.791 -3.965) 5.486 7.411 ( 0.000 1.659 -5.546) 5.789 7.976 ( 0.000 3.878 6.866) 7.886 8.201 ( 0.000 -4.516 -1.462) 4.747 8.415 ( 0.000 5.834 1.502) 6.025 8.456 ( 0.000 4.599 3.056) 5.522 8.519 ( 0.000 4.730 -4.528) 6.549 8.535 ( 0.000 -2.952 -1.934) 3.529 8.869 ( 0.000 -9.925 -1.283) 10.007 8.988 ( 0.000 -10.539 -8.277) 13.401 11.792 ( 0.000 6.149 3.812) 7.235 11.876 ( 0.000 4.930 -0.299) 4.939 12.040 ( 0.000 -5.791 2.448) 6.287 12.046 ( 0.000 -3.368 2.317) 4.088 13.626 ( 0.000 6.495 3.895) 7.574 13.669 ( 0.000 6.550 1.841) 6.804 13.906 ( 0.000 -6.763 4.369) 8.051 13.964 ( 0.000 -7.396 1.392) 7.526 15.376 ( 0.000 6.384 1.072) 6.473 15.435 ( 0.000 5.934 -1.947) 6.245 15.722 ( 0.000 -5.296 -0.254) 5.302 15.749 ( 0.000 -4.657 -1.307) 4.837 16.053 ( 0.000 0.516 -1.368) 1.462 16.065 ( 0.000 0.099 -1.725) 1.728 16.080 ( 0.000 1.310 -1.024) 1.663 16.096 ( 0.000 0.223 -1.463) 1.480 17.486 ( 0.000 2.052 1.891) 2.790 17.528 ( 0.000 -0.320 0.644) 0.719 17.639 ( 0.000 -1.646 0.227) 1.662 17.645 ( 0.000 -2.965 0.907) 3.101 26.873 ( 0.000 1.718 0.045) 1.718 26.882 ( 0.000 1.481 -0.329) 1.517 26.958 ( 0.000 -1.821 0.155) 1.828 26.964 ( 0.000 -1.965 -0.179) 1.973 27.848 ( 0.000 3.966 5.132) 6.486 27.941 ( 0.000 -0.926 0.647) 1.130 28.097 ( 0.000 7.281 -3.668) 8.153 28.179 ( 0.000 1.859 -6.844) 7.092 29.173 ( 0.000 5.711 2.972) 6.438 29.301 ( 0.000 1.242 -2.829) 3.090 29.977 ( 0.000 4.392 0.717) 4.450 30.211 ( 0.000 -5.820 -9.675) 11.291 31.386 ( 0.000 -0.085 6.137) 6.137 31.402 ( 0.000 0.807 5.656) 5.713 31.696 ( 0.000 -1.647 9.781) 9.919 31.871 ( 0.000 -9.322 1.326) 9.416 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -7.233 3.471 5.598) 9.782 2.345 ( -7.179 2.545 -0.323) 7.624 2.384 ( -4.292 -0.227 2.838) 5.150 2.430 ( -4.355 -1.030 -1.694) 4.785 2.655 ( -2.089 8.989 7.255) 11.739 2.846 ( -1.695 7.613 1.281) 7.904 2.880 ( -1.267 5.075 7.085) 8.807 2.915 ( -1.889 0.811 8.614) 8.856 3.142 ( 8.868 14.322 -2.439) 17.021 3.306 ( 2.812 10.852 -8.080) 13.819 3.477 ( 5.659 9.527 5.435) 12.342 3.716 ( -3.791 4.635 -3.982) 7.191 3.798 ( 8.352 5.781 -3.636) 10.789 3.914 ( 5.704 4.151 -2.257) 7.407 4.022 ( 2.447 0.939 10.873) 11.184 4.085 ( 5.252 4.897 -1.029) 7.254 4.132 ( 3.857 1.026 -3.781) 5.497 4.362 ( 2.900 -8.932 5.599) 10.934 4.493 ( -6.518 -5.866 7.630) 11.623 4.578 ( -6.177 -5.202 2.084) 8.340 4.867 ( 0.950 -0.352 -0.533) 1.145 4.915 ( 2.329 -0.555 2.833) 3.709 5.034 ( -2.797 1.799 2.167) 3.969 5.127 ( -4.287 -2.997 -3.618) 6.360 5.279 ( 1.643 6.706 1.600) 7.088 5.311 ( 2.490 1.351 0.626) 2.902 5.460 ( 4.962 0.374 -6.692) 8.339 5.592 ( -0.458 0.042 -2.832) 2.869 5.627 ( 1.445 -1.747 -5.385) 5.843 5.688 ( 0.052 -3.686 -8.539) 9.301 5.765 ( -2.505 -1.026 -13.528) 13.796 5.822 ( 0.682 -2.552 -11.575) 11.873 6.455 ( -0.737 1.492 9.239) 9.388 6.526 ( 0.033 -4.569 5.013) 6.782 6.579 ( -2.690 -1.675 0.491) 3.207 6.726 ( -1.642 -4.006 -0.752) 4.394 6.767 ( 3.558 -3.197 1.222) 4.937 6.895 ( 5.634 -7.293 -3.867) 9.994 7.318 ( -6.764 1.070 -3.812) 7.838 7.345 ( -6.356 -0.201 -5.552) 8.442 7.989 ( 1.910 6.098 6.358) 9.015 8.244 ( 2.936 -1.583 -2.765) 4.333 8.307 ( -6.303 5.005 3.695) 8.856 8.458 ( -1.675 5.170 -1.765) 5.714 8.553 ( 1.827 -0.483 -1.108) 2.191 8.575 ( 3.368 2.303 -0.552) 4.117 8.875 ( 0.837 -10.668 -2.184) 10.922 8.976 ( -1.288 -10.689 -7.740) 13.259 11.804 ( 1.257 5.948 3.493) 7.012 11.873 ( -0.383 4.969 0.173) 4.987 12.038 ( -0.186 -5.177 2.359) 5.692 12.044 ( -0.232 -3.765 2.194) 4.364 13.639 ( 1.322 6.145 3.722) 7.305 13.673 ( 0.430 6.293 2.069) 6.639 13.905 ( -0.025 -6.612 4.091) 7.775 13.954 ( -1.033 -7.175 1.576) 7.418 15.387 ( 1.105 6.675 0.775) 6.810 15.436 ( 0.042 6.503 -1.776) 6.741 15.715 ( -0.545 -5.837 -0.156) 5.864 15.741 ( -0.852 -5.174 -1.274) 5.396 16.050 ( -0.221 0.724 -1.265) 1.474 16.062 ( -0.353 0.461 -1.578) 1.682 16.077 ( -0.230 0.877 -1.142) 1.459 16.090 ( -0.552 0.228 -1.476) 1.592 17.496 ( 1.003 2.034 1.897) 2.956 17.533 ( 0.383 0.094 0.850) 0.937 17.631 ( -0.778 -1.972 0.293) 2.140 17.638 ( -0.706 -2.780 0.665) 2.944 26.875 ( 0.141 1.758 0.015) 1.764 26.882 ( -0.011 1.563 -0.305) 1.592 26.958 ( -0.018 -1.870 0.103) 1.873 26.963 ( -0.117 -1.980 -0.173) 1.991 27.867 ( 2.042 4.464 4.887) 6.927 27.968 ( 2.695 -0.759 0.237) 2.810 28.065 ( -3.111 7.082 -1.859) 7.955 28.161 ( -1.999 1.370 -5.989) 6.461 29.236 ( 6.672 6.174 2.066) 9.322 29.375 ( 7.502 1.401 -4.354) 8.786 29.896 ( -8.032 3.299 0.895) 8.729 30.117 ( -9.497 -5.967 -9.075) 14.427 31.391 ( 1.564 2.524 7.186) 7.775 31.445 ( 2.584 2.513 4.564) 5.816 31.710 ( 1.694 -4.819 8.963) 10.316 31.860 ( -1.250 -9.949 1.783) 10.184 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -0.606 3.147 1.260) 3.443 2.219 ( -5.278 3.146 -1.682) 6.371 2.304 ( -2.345 -2.231 -1.307) 3.491 2.335 ( -4.893 -1.672 -3.662) 6.336 2.669 ( 3.014 9.763 9.427) 13.902 2.752 ( -5.722 8.447 8.117) 13.038 2.875 ( 0.782 2.300 2.223) 3.293 2.896 ( -1.240 -0.428 3.931) 4.144 3.290 ( 6.107 17.820 -3.065) 19.085 3.345 ( 0.322 18.431 -5.678) 19.289 3.567 ( 3.740 4.039 4.186) 6.915 3.639 ( -4.139 4.179 -0.682) 5.921 3.974 ( 8.969 4.161 0.379) 9.894 4.032 ( 3.503 4.827 1.190) 6.081 4.082 ( 3.862 4.627 8.271) 10.234 4.128 ( 0.906 6.636 3.898) 7.749 4.258 ( 6.733 -0.149 4.803) 8.272 4.346 ( -5.206 -2.758 9.509) 11.186 4.402 ( -1.451 -10.946 -1.394) 11.129 4.446 ( -6.694 -8.383 -1.984) 10.910 4.891 ( 1.951 1.782 0.015) 2.643 4.934 ( -1.598 2.725 1.551) 3.519 5.001 ( 0.832 -2.854 -0.377) 2.997 5.049 ( -3.727 -3.645 -2.035) 5.596 5.319 ( 2.289 6.773 -1.861) 7.387 5.342 ( 0.263 3.702 -2.886) 4.701 5.567 ( 5.490 -1.251 -1.745) 5.894 5.595 ( 1.833 -2.166 -1.147) 3.061 5.633 ( -1.319 0.189 -3.680) 3.914 5.671 ( -4.091 -0.221 -7.383) 8.444 5.740 ( 2.502 -5.777 -13.836) 15.201 5.803 ( -2.894 -4.858 -13.138) 14.303 6.454 ( 1.096 2.037 7.124) 7.490 6.497 ( -3.197 1.239 4.674) 5.797 6.577 ( 3.072 -5.369 2.542) 6.688 6.652 ( -4.572 -5.844 0.914) 7.476 6.912 ( 10.166 -2.163 -1.157) 10.457 7.018 ( 6.316 -5.519 -5.225) 9.883 7.146 ( -9.460 -3.099 -3.213) 10.460 7.205 ( -8.497 -4.354 -5.889) 11.217 8.052 ( 4.846 8.869 5.259) 11.393 8.160 ( -6.699 8.928 3.606) 11.730 8.340 ( 4.362 -0.297 -2.294) 4.938 8.411 ( -3.266 2.421 -2.918) 5.005 8.588 ( 1.779 1.156 0.362) 2.152 8.607 ( 0.085 1.931 0.674) 2.047 8.903 ( 2.054 -11.393 -4.303) 12.351 8.943 ( -2.170 -11.093 -6.312) 12.946 11.833 ( 1.657 5.510 2.614) 6.320 11.859 ( -1.118 5.140 1.354) 5.432 12.035 ( 0.016 -4.448 2.122) 4.928 12.038 ( -0.277 -4.135 2.036) 4.618 13.665 ( 1.248 5.644 3.289) 6.651 13.678 ( -0.112 5.768 2.659) 6.353 13.910 ( 0.684 -6.442 3.243) 7.244 13.930 ( -1.396 -6.690 2.210) 7.183 15.411 ( 1.400 7.323 -0.047) 7.456 15.431 ( -0.670 7.420 -1.099) 7.531 15.710 ( 0.154 -6.667 -0.349) 6.677 15.722 ( -1.025 -6.285 -0.944) 6.437 16.048 ( 0.066 1.113 -1.102) 1.568 16.054 ( -0.485 1.132 -1.182) 1.707 16.075 ( 0.062 0.193 -1.446) 1.460 16.080 ( -0.487 0.140 -1.524) 1.606 17.519 ( 1.303 1.927 1.858) 2.977 17.535 ( -0.309 1.259 1.464) 1.955 17.618 ( -0.318 -2.645 0.188) 2.671 17.623 ( -0.737 -2.759 0.250) 2.866 26.878 ( 0.198 1.799 -0.081) 1.811 26.881 ( -0.117 1.723 -0.214) 1.740 26.958 ( 0.053 -1.960 -0.020) 1.961 26.960 ( -0.136 -1.997 -0.129) 2.006 27.920 ( 3.585 5.571 3.839) 7.656 27.992 ( -3.803 6.403 1.627) 7.623 28.035 ( 3.705 -0.206 -1.486) 3.997 28.107 ( -3.669 0.402 -3.698) 5.225 29.401 ( 10.303 7.445 -0.095) 12.712 29.517 ( 3.260 6.187 -5.659) 8.996 29.753 ( -2.587 -3.332 -0.206) 4.223 29.900 ( -12.823 -6.231 -7.061) 15.909 31.433 ( 2.445 5.541 7.001) 9.257 31.465 ( -0.580 6.129 5.617) 8.333 31.761 ( 3.524 -9.870 6.057) 12.105 31.822 ( -2.831 -10.902 3.291) 11.735 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.000 -2.232 3.468) 4.124 2.417 ( 0.000 2.232 3.468) 4.124 2.455 ( 0.000 -0.907 1.080) 1.410 2.455 ( 0.000 0.907 1.080) 1.410 2.789 ( 0.000 -1.011 7.921) 7.985 2.789 ( 0.000 1.011 7.921) 7.985 3.009 ( 0.000 -0.614 7.838) 7.862 3.009 ( 0.000 0.614 7.838) 7.862 3.232 ( 0.000 -6.216 -2.523) 6.709 3.232 ( 0.000 6.216 -2.523) 6.709 3.653 ( 0.000 -8.219 -2.841) 8.697 3.653 ( 0.000 8.219 -2.841) 8.697 3.904 ( 0.000 -5.105 -7.854) 9.368 3.904 ( 0.000 5.105 -7.854) 9.368 4.065 ( 0.000 -7.472 3.727) 8.350 4.065 ( 0.000 7.472 3.727) 8.350 4.106 ( 0.000 -6.291 2.109) 6.635 4.106 ( 0.000 6.291 2.109) 6.635 4.552 ( 0.000 -3.360 7.314) 8.049 4.552 ( 0.000 3.360 7.314) 8.049 4.853 ( 0.000 -0.992 1.312) 1.645 4.853 ( 0.000 0.992 1.312) 1.645 5.121 ( 0.000 -2.677 0.842) 2.807 5.121 ( 0.000 2.677 0.842) 2.807 5.331 ( 0.000 -1.234 4.192) 4.370 5.331 ( 0.000 1.234 4.192) 4.370 5.452 ( 0.000 -5.759 -18.012) 18.910 5.452 ( 0.000 5.759 -18.012) 18.910 5.670 ( 0.000 -2.743 0.223) 2.752 5.670 ( 0.000 2.743 0.223) 2.752 5.787 ( 0.000 -0.432 -14.712) 14.719 5.787 ( 0.000 0.432 -14.712) 14.719 6.464 ( 0.000 -1.491 6.043) 6.224 6.464 ( 0.000 1.491 6.043) 6.224 6.638 ( 0.000 -5.967 -0.930) 6.039 6.638 ( 0.000 5.967 -0.930) 6.039 6.755 ( 0.000 -3.366 3.045) 4.539 6.755 ( 0.000 3.366 3.045) 4.539 7.423 ( 0.000 -0.763 -4.964) 5.022 7.423 ( 0.000 0.763 -4.964) 5.022 8.080 ( 0.000 -6.755 4.563) 8.152 8.080 ( 0.000 6.755 4.563) 8.152 8.481 ( 0.000 -0.635 3.513) 3.570 8.481 ( 0.000 0.635 3.513) 3.570 8.561 ( 0.000 -5.037 -4.922) 7.043 8.561 ( 0.000 5.037 -4.922) 7.043 8.809 ( 0.000 -6.341 -6.037) 8.756 8.809 ( 0.000 6.341 -6.037) 8.756 11.914 ( 0.000 -6.055 3.000) 6.757 11.914 ( 0.000 6.055 3.000) 6.757 11.972 ( 0.000 -3.925 1.235) 4.115 11.972 ( 0.000 3.925 1.235) 4.115 13.745 ( 0.000 -4.187 3.615) 5.532 13.745 ( 0.000 4.187 3.615) 5.532 13.831 ( 0.000 -4.613 2.114) 5.075 13.831 ( 0.000 4.613 2.114) 5.075 15.483 ( 0.000 -2.900 0.288) 2.914 15.483 ( 0.000 2.900 0.288) 2.914 15.671 ( 0.000 -1.915 -1.555) 2.467 15.671 ( 0.000 1.915 -1.555) 2.467 16.061 ( 0.000 -0.373 -1.608) 1.651 16.061 ( 0.000 0.373 -1.608) 1.651 16.096 ( 0.000 -0.384 -1.186) 1.247 16.096 ( 0.000 0.384 -1.186) 1.247 17.517 ( 0.000 -1.023 1.245) 1.611 17.517 ( 0.000 1.023 1.245) 1.611 17.618 ( 0.000 -0.114 0.703) 0.712 17.618 ( 0.000 0.114 0.703) 0.712 26.904 ( 0.000 -0.491 -0.160) 0.516 26.904 ( 0.000 0.491 -0.160) 0.516 26.932 ( 0.000 -0.384 -0.025) 0.385 26.932 ( 0.000 0.384 -0.025) 0.385 27.909 ( 0.000 -2.408 3.309) 4.093 27.909 ( 0.000 2.408 3.309) 4.093 28.182 ( 0.000 -1.851 -5.677) 5.971 28.182 ( 0.000 1.851 -5.677) 5.971 29.273 ( 0.000 -3.939 0.816) 4.022 29.273 ( 0.000 3.939 0.816) 4.022 30.088 ( 0.000 -6.615 -5.761) 8.772 30.088 ( 0.000 6.615 -5.761) 8.772 31.398 ( 0.000 -0.925 6.778) 6.841 31.398 ( 0.000 0.925 6.778) 6.841 31.729 ( 0.000 -4.998 5.588) 7.497 31.729 ( 0.000 4.998 5.588) 7.497 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -7.589 -3.598 1.963) 8.625 2.318 ( -7.589 3.598 1.963) 8.625 2.408 ( -4.854 -1.965 -1.294) 5.394 2.408 ( -4.854 1.965 -1.294) 5.394 2.809 ( 0.973 -6.628 8.195) 10.585 2.809 ( 0.973 6.628 8.195) 10.585 2.944 ( -5.221 -0.484 6.334) 8.223 2.944 ( -5.221 0.484 6.334) 8.223 3.353 ( 10.476 -5.303 -1.372) 11.822 3.353 ( 10.476 5.303 -1.372) 11.822 3.662 ( 0.324 -7.298 -2.206) 7.631 3.662 ( 0.324 7.298 -2.206) 7.631 3.938 ( 3.890 -3.681 -6.170) 8.170 3.938 ( 3.890 3.681 -6.170) 8.170 4.098 ( 4.050 -5.330 9.766) 11.840 4.098 ( 4.050 5.330 9.766) 11.840 4.167 ( 4.718 -5.436 -0.540) 7.218 4.167 ( 4.718 5.436 -0.540) 7.218 4.484 ( -6.744 -3.557 6.524) 10.034 4.484 ( -6.744 3.557 6.524) 10.034 4.880 ( 2.384 -1.815 0.364) 3.018 4.880 ( 2.384 1.815 0.364) 3.018 5.084 ( -3.863 -2.554 -0.753) 4.692 5.084 ( -3.863 2.555 -0.753) 4.692 5.347 ( 2.538 -1.839 2.932) 4.292 5.347 ( 2.538 1.839 2.932) 4.292 5.485 ( 2.488 -5.660 -14.727) 15.972 5.485 ( 2.488 5.660 -14.727) 15.972 5.657 ( -0.920 -2.683 -2.340) 3.677 5.657 ( -0.920 2.683 -2.340) 3.677 5.785 ( -0.932 -1.738 -12.884) 13.034 5.785 ( -0.932 1.738 -12.884) 13.034 6.462 ( 0.219 -1.331 5.982) 6.132 6.462 ( 0.219 1.331 5.982) 6.132 6.616 ( -2.463 -4.908 0.665) 5.531 6.616 ( -2.463 4.908 0.665) 5.531 6.795 ( 4.678 -3.809 0.962) 6.109 6.795 ( 4.678 3.809 0.962) 6.109 7.335 ( -8.784 -0.762 -4.830) 10.053 7.335 ( -8.784 0.762 -4.830) 10.053 8.131 ( 4.797 -7.962 4.539) 10.344 8.131 ( 4.797 7.962 4.539) 10.344 8.424 ( -4.443 -5.277 3.203) 7.606 8.424 ( -4.443 5.277 3.203) 7.606 8.613 ( 3.997 -3.814 -4.574) 7.173 8.613 ( 3.997 3.814 -4.574) 7.173 8.793 ( -1.644 -6.300 -6.047) 8.886 8.793 ( -1.644 6.300 -6.047) 8.886 11.921 ( 0.713 -5.725 2.824) 6.423 11.921 ( 0.713 5.725 2.824) 6.423 11.968 ( -0.461 -3.972 1.397) 4.236 11.968 ( -0.461 3.972 1.397) 4.236 13.755 ( 0.985 -4.074 3.472) 5.443 13.755 ( 0.985 4.074 3.472) 5.443 13.824 ( -0.746 -4.484 2.247) 5.070 13.824 ( -0.746 4.484 2.247) 5.070 15.500 ( 1.772 -2.841 0.106) 3.349 15.500 ( 1.772 2.841 0.106) 3.349 15.652 ( -1.993 -2.099 -1.372) 3.203 15.652 ( -1.993 2.099 -1.372) 3.203 16.061 ( 0.031 -0.392 -1.541) 1.590 16.061 ( 0.031 0.392 -1.541) 1.590 16.090 ( -0.637 -0.367 -1.201) 1.408 16.090 ( -0.637 0.367 -1.201) 1.408 17.527 ( 1.059 -0.962 1.198) 1.866 17.527 ( 1.059 0.962 1.198) 1.866 17.609 ( -0.993 -0.270 0.758) 1.278 17.609 ( -0.993 0.270 0.758) 1.278 26.907 ( 0.301 -0.495 -0.162) 0.601 26.907 ( 0.301 0.495 -0.162) 0.601 26.930 ( -0.276 -0.402 -0.052) 0.491 26.930 ( -0.276 0.402 -0.052) 0.491 27.935 ( 2.706 -2.608 2.924) 4.762 27.935 ( 2.706 2.608 2.924) 4.762 28.154 ( -2.889 -2.330 -4.136) 5.557 28.154 ( -2.889 2.330 -4.136) 5.557 29.344 ( 7.484 -4.290 -0.446) 8.638 29.344 ( 7.484 4.290 -0.446) 8.638 29.995 ( -9.435 -6.376 -5.385) 12.596 29.995 ( -9.435 6.376 -5.385) 12.596 31.447 ( 4.796 -2.485 6.471) 8.430 31.447 ( 4.796 2.485 6.471) 8.430 31.708 ( -2.285 -4.977 5.617) 7.844 31.708 ( -2.285 4.977 5.617) 7.844 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -0.608 -2.927 -1.357) 3.283 2.232 ( -0.608 2.927 -1.357) 3.283 2.294 ( -6.235 -2.342 -2.657) 7.171 2.294 ( -6.235 2.342 -2.657) 7.171 2.825 ( 1.256 -6.201 7.436) 9.763 2.825 ( 1.256 6.201 7.436) 9.763 2.864 ( -3.142 -3.119 5.968) 7.430 2.864 ( -3.142 3.119 5.968) 7.430 3.532 ( 7.949 -4.485 -1.669) 9.278 3.532 ( 7.949 4.485 -1.669) 9.278 3.637 ( -3.476 -5.087 -2.296) 6.575 3.637 ( -3.476 5.087 -2.296) 6.575 4.057 ( 8.404 -2.924 1.293) 8.992 4.057 ( 8.404 2.924 1.293) 8.992 4.163 ( -0.102 -5.793 12.987) 14.221 4.163 ( -0.102 5.793 12.987) 14.221 4.241 ( 3.909 -3.893 -1.244) 5.655 4.241 ( 3.909 3.893 -1.244) 5.655 4.341 ( -7.398 -1.890 4.457) 8.841 4.341 ( -7.398 1.890 4.457) 8.841 4.929 ( 3.070 -2.326 -1.396) 4.096 4.929 ( 3.070 2.326 -1.396) 4.096 5.000 ( -4.611 -2.148 -1.830) 5.406 5.000 ( -4.611 2.148 -1.830) 5.406 5.424 ( 5.117 -2.174 -0.404) 5.574 5.424 ( 5.117 2.174 -0.404) 5.574 5.498 ( -1.944 -3.404 -6.855) 7.897 5.498 ( -1.944 3.404 -6.855) 7.897 5.665 ( 2.524 -2.286 -8.082) 8.770 5.665 ( 2.524 2.286 -8.082) 8.770 5.736 ( -4.126 -3.051 -10.745) 11.908 5.736 ( -4.126 3.051 -10.745) 11.908 6.488 ( 2.743 -2.411 5.143) 6.308 6.488 ( 2.743 2.411 5.143) 6.308 6.554 ( -3.909 -3.745 3.141) 6.258 6.554 ( -3.909 3.745 3.141) 6.258 6.931 ( 9.836 -3.384 -2.358) 10.666 6.931 ( 9.836 3.384 -2.358) 10.666 7.137 ( -11.827 -2.123 -4.270) 12.753 7.137 ( -11.827 2.123 -4.270) 12.753 8.232 ( 5.782 -8.869 4.508) 11.507 8.232 ( 5.782 8.869 4.508) 11.507 8.335 ( -5.273 -8.000 4.085) 10.416 8.335 ( -5.273 8.000 4.085) 10.416 8.687 ( 3.819 -5.062 -5.431) 8.349 8.687 ( 3.819 5.062 -5.431) 8.349 8.750 ( -2.970 -5.996 -5.934) 8.943 8.750 ( -2.970 5.996 -5.934) 8.943 11.938 ( 1.006 -4.961 2.371) 5.589 11.938 ( 1.006 4.961 2.371) 5.589 11.955 ( -0.852 -4.270 1.826) 4.722 11.955 ( -0.852 4.270 1.826) 4.722 13.778 ( 1.447 -3.973 3.088) 5.236 13.778 ( 1.447 3.973 3.088) 5.236 13.804 ( -1.301 -4.173 2.614) 5.093 13.804 ( -1.301 4.173 2.614) 5.093 15.545 ( 2.976 -2.686 -0.355) 4.025 15.545 ( 2.976 2.686 -0.355) 4.025 15.603 ( -3.116 -2.436 -0.912) 4.059 15.603 ( -3.116 2.436 -0.912) 4.059 16.065 ( 0.399 -0.403 -1.391) 1.502 16.065 ( 0.399 0.403 -1.391) 1.502 16.076 ( -0.766 -0.377 -1.263) 1.524 16.076 ( -0.766 0.377 -1.263) 1.524 17.553 ( 1.659 -0.793 1.068) 2.126 17.553 ( 1.659 0.793 1.068) 2.126 17.584 ( -1.620 -0.542 0.899) 1.930 17.584 ( -1.620 0.542 0.899) 1.930 26.914 ( 0.466 -0.484 -0.151) 0.688 26.914 ( 0.466 0.484 -0.151) 0.688 26.923 ( -0.450 -0.445 -0.109) 0.642 26.923 ( -0.450 0.445 -0.109) 0.642 28.002 ( 4.308 -2.911 1.539) 5.422 28.002 ( 4.308 2.911 1.539) 5.422 28.084 ( -4.388 -2.870 -1.046) 5.346 28.084 ( -4.388 2.870 -1.046) 5.346 29.532 ( 12.364 -5.037 -2.760) 13.633 29.532 ( 12.364 5.037 -2.760) 13.633 29.775 ( -13.426 -5.796 -4.445) 15.284 29.775 ( -13.426 5.796 -4.445) 15.284 31.550 ( 5.784 -3.974 6.009) 9.239 31.550 ( 5.784 3.974 6.009) 9.239 31.645 ( -4.411 -4.742 5.733) 8.649 31.645 ( -4.411 4.742 5.733) 8.649 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 0.000 0.000 -7.791) 7.791 1.990 ( 0.000 0.000 7.791) 7.791 2.390 ( 0.000 0.000 -13.922) 13.922 2.390 ( 0.000 0.000 13.922) 13.922 2.469 ( 0.000 0.000 -6.863) 6.863 2.469 ( 0.000 0.000 6.863) 6.863 2.604 ( 0.000 0.000 -1.200) 1.200 2.604 ( 0.000 0.000 1.200) 1.200 2.620 ( 0.000 0.000 -8.951) 8.951 2.620 ( 0.000 0.000 8.951) 8.951 3.007 ( 0.000 0.000 -2.835) 2.835 3.007 ( 0.000 0.000 2.835) 2.835 3.802 ( 0.000 0.000 -1.087) 1.087 3.802 ( 0.000 0.000 1.087) 1.087 3.804 ( 0.000 0.000 -0.350) 0.350 3.804 ( 0.000 0.000 0.350) 0.350 4.514 ( 0.000 0.000 -6.730) 6.730 4.514 ( 0.000 0.000 6.730) 6.730 4.604 ( 0.000 0.000 -4.438) 4.438 4.604 ( 0.000 0.000 4.438) 4.438 4.851 ( 0.000 0.000 -2.781) 2.781 4.851 ( 0.000 0.000 2.781) 2.781 5.011 ( 0.000 0.000 -0.901) 0.901 5.011 ( 0.000 0.000 0.901) 0.901 5.460 ( 0.000 0.000 -1.535) 1.535 5.460 ( 0.000 0.000 1.535) 1.535 5.591 ( 0.000 0.000 -1.832) 1.832 5.591 ( 0.000 0.000 1.832) 1.832 5.643 ( 0.000 0.000 -12.431) 12.431 5.643 ( 0.000 0.000 12.431) 12.431 5.832 ( 0.000 0.000 -15.631) 15.631 5.832 ( 0.000 0.000 15.631) 15.631 6.629 ( 0.000 0.000 -6.989) 6.989 6.629 ( 0.000 0.000 6.990) 6.990 6.705 ( 0.000 0.000 -2.723) 2.723 6.705 ( 0.000 0.000 2.723) 2.723 7.227 ( 0.000 0.000 -3.236) 3.236 7.227 ( 0.000 0.000 3.236) 3.236 7.379 ( 0.000 0.000 -1.438) 1.438 7.379 ( 0.000 0.000 1.438) 1.438 7.812 ( 0.000 0.000 -10.726) 10.726 7.812 ( 0.000 0.000 10.726) 10.726 8.094 ( 0.000 0.000 -8.498) 8.498 8.094 ( 0.000 0.000 8.498) 8.498 8.679 ( 0.000 0.000 -4.490) 4.490 8.679 ( 0.000 0.000 4.490) 4.490 9.300 ( 0.000 0.000 -2.037) 2.037 9.300 ( 0.000 0.000 2.037) 2.037 11.650 ( 0.000 0.000 -2.169) 2.169 11.650 ( 0.000 0.000 2.169) 2.169 12.189 ( 0.000 0.000 -1.716) 1.716 12.189 ( 0.000 0.000 1.716) 1.716 13.452 ( 0.000 0.000 -1.337) 1.337 13.452 ( 0.000 0.000 1.337) 1.337 14.221 ( 0.000 0.000 -1.886) 1.886 14.221 ( 0.000 0.000 1.886) 1.886 15.201 ( 0.000 0.000 -0.164) 0.164 15.201 ( 0.000 0.000 0.164) 0.164 15.912 ( 0.000 0.000 -0.731) 0.731 15.912 ( 0.000 0.000 0.731) 0.731 15.981 ( 0.000 0.000 -0.109) 0.109 15.981 ( 0.000 0.000 0.109) 0.109 16.056 ( 0.000 0.000 -2.122) 2.122 16.056 ( 0.000 0.000 2.122) 2.122 17.473 ( 0.000 0.000 -3.920) 3.920 17.473 ( 0.000 0.000 3.920) 3.920 17.782 ( 0.000 0.000 -4.863) 4.863 17.782 ( 0.000 0.000 4.863) 4.863 26.854 ( 0.000 0.000 -0.004) 0.004 26.854 ( 0.000 0.000 0.004) 0.004 27.027 ( 0.000 0.000 -0.483) 0.483 27.027 ( 0.000 0.000 0.483) 0.483 27.721 ( 0.000 0.000 -9.576) 9.576 27.721 ( 0.000 0.000 9.576) 9.576 27.835 ( 0.000 0.000 -9.653) 9.653 27.835 ( 0.000 0.000 9.653) 9.653 29.062 ( 0.000 0.000 -2.387) 2.387 29.062 ( 0.000 0.000 2.387) 2.387 30.134 ( 0.000 0.000 -11.833) 11.833 30.134 ( 0.000 0.000 11.833) 11.833 31.435 ( 0.000 0.000 -2.295) 2.295 31.435 ( 0.000 0.000 2.295) 2.295 32.122 ( 0.000 0.000 -10.682) 10.682 32.122 ( 0.000 0.000 10.682) 10.682 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 2.742 0.000 -7.129) 7.638 2.018 ( 2.742 0.000 7.129) 7.638 2.349 ( -14.436 0.000 -5.727) 15.531 2.349 ( -14.436 0.000 5.727) 15.531 2.380 ( -1.083 0.000 -12.709) 12.755 2.380 ( -1.083 0.000 12.709) 12.755 2.534 ( 2.123 0.000 -11.384) 11.580 2.534 ( 2.123 0.000 11.384) 11.580 2.603 ( -1.536 0.000 -7.999) 8.146 2.603 ( -1.536 0.000 7.999) 8.146 3.220 ( 14.188 0.000 -3.001) 14.502 3.220 ( 14.188 0.000 3.001) 14.502 3.748 ( -4.754 0.000 -1.011) 4.860 3.748 ( -4.754 0.000 1.011) 4.860 3.822 ( 1.913 0.000 -1.109) 2.211 3.822 ( 1.913 0.000 1.109) 2.211 4.506 ( -0.788 0.000 -5.807) 5.860 4.506 ( -0.788 0.000 5.807) 5.860 4.589 ( -1.509 0.000 -4.024) 4.298 4.589 ( -1.509 0.000 4.024) 4.298 4.844 ( -0.676 0.000 -2.817) 2.897 4.844 ( -0.676 0.000 2.817) 2.897 5.041 ( 2.686 0.000 -3.125) 4.121 5.041 ( 2.686 0.000 3.125) 4.121 5.455 ( -0.405 0.000 -1.480) 1.535 5.455 ( -0.405 0.000 1.480) 1.535 5.595 ( 0.418 0.000 -1.472) 1.530 5.595 ( 0.418 0.000 1.472) 1.530 5.649 ( 0.656 0.000 -9.714) 9.736 5.649 ( 0.656 0.000 9.714) 9.736 5.902 ( 6.827 0.000 -12.976) 14.662 5.902 ( 6.827 0.000 12.976) 14.662 6.568 ( -5.341 0.000 -10.794) 12.044 6.568 ( -5.341 0.000 10.794) 12.044 6.718 ( 0.457 0.000 -6.678) 6.694 6.718 ( 0.457 0.000 6.678) 6.694 7.227 ( 0.021 0.000 -2.622) 2.623 7.227 ( 0.021 0.000 2.622) 2.623 7.401 ( 2.191 0.000 -1.356) 2.577 7.401 ( 2.191 0.000 1.356) 2.577 7.813 ( 0.016 0.000 -8.684) 8.684 7.813 ( 0.016 0.000 8.684) 8.684 8.040 ( -5.218 0.000 -7.060) 8.779 8.040 ( -5.218 0.000 7.060) 8.779 8.679 ( -0.021 0.000 -3.636) 3.636 8.679 ( -0.021 0.000 3.636) 3.636 9.312 ( 1.021 0.000 -1.940) 2.192 9.312 ( 1.021 0.000 1.940) 2.192 11.651 ( 0.112 0.000 -1.761) 1.765 11.651 ( 0.112 0.000 1.761) 1.765 12.188 ( -0.089 0.000 -1.395) 1.398 12.188 ( -0.089 0.000 1.395) 1.398 13.476 ( 2.263 0.000 -0.930) 2.446 13.476 ( 2.263 0.000 0.930) 2.446 14.206 ( -1.470 0.000 -1.723) 2.265 14.206 ( -1.470 0.000 1.723) 2.265 15.201 ( -0.029 0.000 -0.132) 0.136 15.201 ( -0.029 0.000 0.132) 0.136 15.919 ( 0.859 0.000 -0.856) 1.213 15.919 ( 0.859 0.000 0.856) 1.213 15.982 ( 0.043 0.000 -0.088) 0.098 15.982 ( 0.043 0.000 0.088) 0.098 16.042 ( -1.430 0.000 -2.020) 2.475 16.042 ( -1.430 0.000 2.020) 2.475 17.487 ( 1.338 0.000 -3.516) 3.762 17.487 ( 1.338 0.000 3.516) 3.762 17.761 ( -2.040 0.000 -4.147) 4.621 17.761 ( -2.040 0.000 4.147) 4.621 26.851 ( -0.223 0.000 -0.029) 0.225 26.851 ( -0.223 0.000 0.029) 0.225 27.026 ( -0.040 0.000 -0.374) 0.376 27.026 ( -0.040 0.000 0.374) 0.376 27.721 ( 0.017 0.000 -7.779) 7.779 27.721 ( 0.017 0.000 7.779) 7.779 27.834 ( -0.026 0.000 -7.841) 7.841 27.834 ( -0.026 0.000 7.841) 7.841 29.120 ( 5.790 0.000 -3.204) 6.618 29.120 ( 5.790 0.000 3.204) 6.618 30.071 ( -6.257 0.000 -10.560) 12.275 30.071 ( -6.257 0.000 10.560) 12.275 31.405 ( -2.582 0.000 -1.317) 2.898 31.405 ( -2.582 0.000 1.317) 2.898 32.165 ( 3.817 0.000 -8.043) 8.903 32.165 ( 3.817 0.000 8.043) 8.903 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 2.112 0.000 -3.637) 4.205 2.070 ( 2.112 0.000 3.637) 4.205 2.137 ( -6.534 0.000 -1.127) 6.631 2.137 ( -6.534 0.000 1.127) 6.631 2.356 ( -1.126 0.000 -6.151) 6.253 2.356 ( -1.126 0.000 6.151) 6.253 2.578 ( -0.899 0.000 -3.523) 3.636 2.578 ( -0.899 0.000 3.523) 3.636 2.593 ( 2.596 0.000 -4.287) 5.011 2.593 ( 2.596 0.000 4.287) 5.011 3.374 ( 2.204 0.000 -2.619) 3.423 3.374 ( 2.204 0.000 2.619) 3.423 3.703 ( 0.385 0.000 -2.832) 2.858 3.703 ( 0.385 0.000 2.832) 2.858 3.856 ( 1.243 0.000 -0.562) 1.364 3.856 ( 1.243 0.000 0.562) 1.364 4.491 ( -0.589 0.000 -2.454) 2.523 4.491 ( -0.589 0.000 2.454) 2.523 4.559 ( -1.235 0.000 -2.106) 2.441 4.559 ( -1.235 0.000 2.106) 2.441 4.833 ( -0.387 0.000 -1.366) 1.420 4.833 ( -0.387 0.000 1.366) 1.420 5.085 ( 1.551 0.000 -1.872) 2.431 5.085 ( 1.551 0.000 1.872) 2.431 5.448 ( -0.238 0.000 -0.673) 0.713 5.448 ( -0.238 0.000 0.673) 0.713 5.602 ( 0.241 0.000 -0.556) 0.606 5.602 ( 0.241 0.000 0.556) 0.606 5.662 ( 0.491 0.000 -3.891) 3.922 5.662 ( 0.491 0.000 3.891) 3.922 6.033 ( 5.471 0.000 -6.574) 8.553 6.033 ( 5.471 0.000 6.574) 8.553 6.470 ( -4.124 0.000 -6.698) 7.866 6.470 ( -4.124 0.000 6.698) 7.866 6.717 ( -0.228 0.000 -3.068) 3.076 6.717 ( -0.228 0.000 3.068) 3.076 7.228 ( 0.013 0.000 -1.004) 1.005 7.228 ( 0.013 0.000 1.004) 1.005 7.444 ( 1.778 0.000 -0.567) 1.866 7.444 ( 1.778 0.000 0.567) 1.866 7.813 ( 0.010 0.000 -3.321) 3.321 7.813 ( 0.010 0.000 3.321) 3.321 7.945 ( -3.635 0.000 -2.880) 4.638 7.945 ( -3.635 0.000 2.880) 4.638 8.679 ( -0.013 0.000 -1.391) 1.391 8.679 ( -0.013 0.000 1.391) 1.391 9.328 ( 0.564 0.000 -0.862) 1.030 9.328 ( 0.564 0.000 0.862) 1.030 11.653 ( 0.070 0.000 -0.677) 0.680 11.653 ( 0.070 0.000 0.677) 0.680 12.186 ( -0.056 0.000 -0.537) 0.540 12.186 ( -0.056 0.000 0.537) 0.540 13.516 ( 1.499 0.000 -0.256) 1.521 13.516 ( 1.499 0.000 0.256) 1.521 14.179 ( -1.019 0.000 -0.789) 1.289 14.179 ( -1.019 0.000 0.789) 1.289 15.200 ( -0.018 0.000 -0.050) 0.053 15.200 ( -0.018 0.000 0.050) 0.053 15.941 ( 1.220 0.000 -0.792) 1.454 15.941 ( 1.220 0.000 0.792) 1.454 15.982 ( 0.027 0.000 -0.034) 0.043 15.982 ( 0.027 0.000 0.034) 0.043 16.011 ( -1.570 0.000 -1.268) 2.018 16.011 ( -1.570 0.000 1.268) 2.018 17.513 ( 1.110 0.000 -1.712) 2.040 17.513 ( 1.110 0.000 1.712) 2.040 17.723 ( -1.537 0.000 -1.867) 2.419 17.723 ( -1.537 0.000 1.867) 2.419 26.848 ( -0.132 0.000 -0.029) 0.136 26.848 ( -0.132 0.000 0.029) 0.136 27.026 ( -0.025 0.000 -0.134) 0.136 27.026 ( -0.025 0.000 0.134) 0.136 27.721 ( 0.011 0.000 -2.991) 2.991 27.721 ( 0.011 0.000 2.991) 2.991 27.834 ( -0.016 0.000 -3.015) 3.015 27.834 ( -0.016 0.000 3.015) 3.015 29.234 ( 4.736 0.000 -2.370) 5.296 29.234 ( 4.736 0.000 2.370) 5.296 29.949 ( -5.059 0.000 -5.079) 7.168 29.949 ( -5.059 0.000 5.079) 7.168 31.366 ( -1.249 0.000 -0.349) 1.296 31.366 ( -1.249 0.000 0.349) 1.296 32.226 ( 2.038 0.000 -2.821) 3.480 32.226 ( 2.038 0.000 2.821) 3.480 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 0.000 16.122 -6.556) 17.404 2.159 ( 0.000 16.122 6.556) 17.404 2.429 ( 0.000 1.956 -8.587) 8.807 2.429 ( 0.000 1.956 8.587) 8.807 2.493 ( 0.000 1.025 -10.737) 10.786 2.493 ( 0.000 1.025 10.737) 10.786 2.545 ( 0.000 2.569 -13.098) 13.347 2.545 ( 0.000 2.569 13.098) 13.347 2.810 ( 0.000 12.839 -4.194) 13.507 2.810 ( 0.000 12.839 4.194) 13.507 3.062 ( 0.000 6.111 -3.866) 7.231 3.062 ( 0.000 6.111 3.866) 7.232 3.775 ( 0.000 -0.834 -1.091) 1.374 3.775 ( 0.000 -0.834 1.091) 1.374 3.856 ( 0.000 3.340 -2.848) 4.390 3.856 ( 0.000 3.340 2.848) 4.390 4.415 ( 0.000 -6.304 -10.399) 12.160 4.415 ( 0.000 -6.304 10.399) 12.160 4.672 ( 0.000 3.012 -1.007) 3.176 4.672 ( 0.000 3.012 1.007) 3.176 4.862 ( 0.000 1.827 -1.666) 2.473 4.862 ( 0.000 1.827 1.666) 2.473 5.077 ( 0.000 5.798 -1.478) 5.983 5.077 ( 0.000 5.798 1.478) 5.983 5.401 ( 0.000 -5.157 -6.199) 8.064 5.401 ( 0.000 -5.157 6.199) 8.064 5.509 ( 0.000 -6.944 -1.406) 7.085 5.509 ( 0.000 -6.944 1.406) 7.085 5.656 ( 0.000 0.359 -9.430) 9.437 5.656 ( 0.000 0.359 9.430) 9.437 5.822 ( 0.000 -1.879 -11.246) 11.402 5.822 ( 0.000 -1.879 11.246) 11.402 6.629 ( 0.000 -0.309 -10.609) 10.613 6.629 ( 0.000 -0.309 10.609) 10.613 6.701 ( 0.000 -0.014 -3.869) 3.869 6.701 ( 0.000 -0.014 3.869) 3.869 7.152 ( 0.000 -11.438 -4.932) 12.456 7.152 ( 0.000 -11.438 4.932) 12.456 7.279 ( 0.000 -1.719 -2.822) 3.304 7.279 ( 0.000 -1.719 2.822) 3.304 7.964 ( 0.000 9.956 -7.516) 12.474 7.964 ( 0.000 9.956 7.516) 12.474 8.123 ( 0.000 3.896 -7.715) 8.643 8.123 ( 0.000 3.896 7.715) 8.643 8.653 ( 0.000 -2.645 -4.016) 4.808 8.653 ( 0.000 -2.645 4.016) 4.808 9.243 ( 0.000 -5.894 -2.081) 6.251 9.243 ( 0.000 -5.894 2.081) 6.251 11.677 ( 0.000 2.738 -2.296) 3.573 11.677 ( 0.000 2.738 2.296) 3.573 12.178 ( 0.000 -1.167 -1.537) 1.929 12.178 ( 0.000 -1.167 1.537) 1.929 13.481 ( 0.000 2.945 -1.264) 3.204 13.481 ( 0.000 2.945 1.264) 3.204 14.186 ( 0.000 -3.504 -1.841) 3.958 14.186 ( 0.000 -3.504 1.841) 3.958 15.221 ( 0.000 2.205 -0.479) 2.257 15.221 ( 0.000 2.205 0.479) 2.257 15.883 ( 0.000 -2.602 -0.289) 2.618 15.883 ( 0.000 -2.602 0.289) 2.618 16.002 ( 0.000 1.669 -0.136) 1.675 16.002 ( 0.000 1.669 0.136) 1.675 16.056 ( 0.000 0.029 -1.970) 1.970 16.056 ( 0.000 0.029 1.970) 1.970 17.481 ( 0.000 0.791 -3.590) 3.676 17.481 ( 0.000 0.791 3.590) 3.676 17.757 ( 0.000 -2.409 -3.892) 4.577 17.757 ( 0.000 -2.409 3.892) 4.577 26.851 ( 0.000 -0.177 -0.165) 0.242 26.851 ( 0.000 -0.177 0.165) 0.242 27.018 ( 0.000 -0.879 -0.386) 0.960 27.018 ( 0.000 -0.879 0.386) 0.960 27.776 ( 0.000 4.968 -7.552) 9.040 27.776 ( 0.000 4.968 7.552) 9.040 27.872 ( 0.000 3.891 -9.027) 9.830 27.872 ( 0.000 3.891 9.027) 9.830 29.084 ( 0.000 2.279 -2.958) 3.735 29.084 ( 0.000 2.279 2.958) 3.735 30.122 ( 0.000 -1.213 -11.438) 11.502 30.122 ( 0.000 -1.213 11.438) 11.502 31.434 ( 0.000 -0.008 -1.762) 1.762 31.434 ( 0.000 -0.008 1.762) 1.762 32.075 ( 0.000 -4.644 -9.824) 10.866 32.075 ( 0.000 -4.644 9.824) 10.866 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 1.162 13.826 -5.502) 14.926 2.171 ( 1.162 13.826 5.502) 14.926 2.322 ( -10.857 -0.625 -2.478) 11.153 2.322 ( -10.857 -0.625 2.478) 11.153 2.482 ( -1.315 3.908 -7.438) 8.504 2.482 ( -1.315 3.908 7.438) 8.504 2.519 ( -0.884 5.959 -0.211) 6.028 2.519 ( -0.884 5.959 0.211) 6.028 2.740 ( -1.336 10.127 -6.590) 12.156 2.740 ( -1.336 10.127 6.590) 12.156 3.276 ( 13.705 6.003 -2.740) 15.211 3.276 ( 13.705 6.003 2.740) 15.211 3.751 ( -2.130 0.680 -2.247) 3.170 3.751 ( -2.130 0.680 2.247) 3.170 3.863 ( 1.269 3.803 -1.429) 4.256 3.863 ( 1.269 3.803 1.429) 4.256 4.422 ( 0.630 -5.364 -8.931) 10.437 4.422 ( 0.630 -5.364 8.931) 10.437 4.643 ( -2.892 2.258 -2.274) 4.316 4.643 ( -2.892 2.258 2.274) 4.316 4.854 ( -0.786 1.392 -2.517) 2.982 4.854 ( -0.786 1.392 2.517) 2.982 5.094 ( 1.549 4.657 -3.111) 5.811 5.094 ( 1.549 4.657 3.111) 5.811 5.403 ( 0.389 -4.703 -5.977) 7.615 5.403 ( 0.389 -4.703 5.977) 7.615 5.516 ( 0.363 -6.226 -2.456) 6.702 5.516 ( 0.363 -6.226 2.456) 6.702 5.667 ( 0.980 0.347 -7.865) 7.934 5.667 ( 0.980 0.347 7.865) 7.934 5.874 ( 5.227 -3.354 -10.020) 11.788 5.874 ( 5.227 -3.354 10.020) 11.788 6.572 ( -4.788 0.347 -10.207) 11.279 6.572 ( -4.788 0.347 10.207) 11.279 6.714 ( 0.457 -0.210 -6.237) 6.258 6.714 ( 0.457 -0.210 6.237) 6.258 7.168 ( 1.750 -9.594 -4.117) 10.586 7.168 ( 1.750 -9.594 4.117) 10.586 7.287 ( 0.628 -3.561 -2.143) 4.203 7.287 ( 0.628 -3.561 2.143) 4.203 7.960 ( -0.411 9.205 -6.000) 10.996 7.960 ( -0.411 9.205 6.000) 10.996 8.065 ( -5.432 4.059 -4.928) 8.382 8.065 ( -5.432 4.059 4.928) 8.382 8.662 ( 0.785 -1.713 -3.051) 3.586 8.662 ( 0.785 -1.713 3.051) 3.586 9.253 ( 0.920 -6.030 -1.893) 6.387 9.253 ( 0.920 -6.030 1.893) 6.387 11.680 ( 0.274 2.890 -1.864) 3.450 11.680 ( 0.274 2.890 1.864) 3.450 12.176 ( -0.232 -1.296 -1.253) 1.817 12.176 ( -0.232 -1.296 1.253) 1.817 13.503 ( 2.080 2.746 -0.898) 3.560 13.503 ( 2.080 2.746 0.898) 3.560 14.173 ( -1.347 -3.374 -1.655) 3.992 14.173 ( -1.347 -3.374 1.655) 3.992 15.221 ( 0.006 2.247 -0.382) 2.279 15.221 ( 0.006 2.247 0.382) 2.279 15.887 ( 0.508 -2.823 -0.353) 2.890 15.887 ( 0.508 -2.823 0.353) 2.890 16.002 ( 0.058 1.572 -0.188) 1.584 16.002 ( 0.058 1.572 0.188) 1.584 16.045 ( -1.160 0.273 -1.812) 2.168 16.045 ( -1.160 0.273 1.812) 2.168 17.493 ( 1.191 0.657 -3.204) 3.480 17.493 ( 1.191 0.657 3.204) 3.480 17.739 ( -1.770 -2.146 -3.334) 4.342 17.739 ( -1.770 -2.146 3.334) 4.342 26.849 ( -0.154 -0.112 -0.157) 0.247 26.849 ( -0.154 -0.112 0.157) 0.247 27.017 ( -0.048 -0.886 -0.304) 0.938 27.017 ( -0.048 -0.886 0.304) 0.938 27.778 ( 0.172 5.224 -6.452) 8.304 27.778 ( 0.172 5.224 6.452) 8.304 27.871 ( -0.092 3.739 -7.613) 8.482 27.871 ( -0.092 3.739 7.613) 8.482 29.141 ( 5.723 2.194 -3.618) 7.117 29.141 ( 5.723 2.194 3.618) 7.117 30.056 ( -6.513 -1.485 -10.239) 12.226 30.056 ( -6.513 -1.485 10.239) 12.226 31.411 ( -2.045 0.641 -1.112) 2.415 31.411 ( -2.045 0.641 1.112) 2.415 32.113 ( 3.430 -5.121 -7.444) 9.664 32.113 ( 3.430 -5.121 7.444) 9.664 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -5.185 0.376 -0.698) 5.245 2.134 ( -5.185 0.376 0.698) 5.245 2.213 ( 0.756 11.453 -4.408) 12.295 2.213 ( 0.756 11.453 4.408) 12.295 2.446 ( -1.785 8.297 -7.433) 11.282 2.446 ( -1.785 8.297 7.433) 11.282 2.514 ( 0.004 1.037 -3.969) 4.102 2.514 ( 0.004 1.037 3.969) 4.102 2.757 ( 1.551 10.242 -2.965) 10.774 2.757 ( 1.551 10.242 2.965) 10.774 3.419 ( 1.908 4.469 -2.256) 5.358 3.419 ( 1.908 4.469 2.256) 5.358 3.748 ( 1.618 5.063 -2.837) 6.025 3.748 ( 1.618 5.063 2.837) 6.025 3.895 ( 1.528 3.856 -0.771) 4.218 3.895 ( 1.528 3.856 0.771) 4.218 4.431 ( 0.276 -3.708 -3.879) 5.373 4.431 ( 0.276 -3.708 3.879) 5.373 4.588 ( -2.219 0.496 -1.642) 2.805 4.588 ( -2.219 0.496 1.642) 2.805 4.840 ( -0.571 0.737 -1.468) 1.739 4.840 ( -0.571 0.737 1.468) 1.739 5.120 ( 0.938 2.930 -1.801) 3.565 5.120 ( 0.938 2.930 1.801) 3.565 5.417 ( 0.815 -2.719 -3.333) 4.378 5.417 ( 0.815 -2.719 3.333) 4.378 5.514 ( -0.457 -6.790 -1.647) 7.001 5.514 ( -0.457 -6.790 1.647) 7.001 5.684 ( 0.565 0.450 -3.098) 3.182 5.684 ( 0.565 0.450 3.098) 3.182 5.975 ( 4.160 -6.034 -4.774) 8.747 5.975 ( 4.160 -6.034 4.774) 8.747 6.489 ( -3.218 1.834 -5.138) 6.334 6.489 ( -3.218 1.834 5.138) 6.334 6.713 ( -0.255 -0.444 -2.847) 2.892 6.713 ( -0.255 -0.444 2.847) 2.892 7.206 ( 1.672 -3.619 -1.836) 4.389 7.206 ( 1.672 -3.619 1.836) 4.389 7.294 ( 0.074 -9.688 -0.737) 9.717 7.294 ( 0.074 -9.688 0.737) 9.717 7.945 ( -1.360 3.431 -4.912) 6.144 7.945 ( -1.360 3.431 4.912) 6.144 7.978 ( -2.361 9.517 -2.908) 10.228 7.978 ( -2.361 9.517 2.908) 10.228 8.674 ( 0.370 -0.571 -1.093) 1.287 8.674 ( 0.370 -0.571 1.093) 1.287 9.268 ( 0.517 -6.208 -0.817) 6.283 9.268 ( 0.517 -6.208 0.817) 6.283 11.684 ( 0.170 3.140 -0.717) 3.226 11.684 ( 0.170 3.140 0.717) 3.226 12.172 ( -0.144 -1.508 -0.485) 1.591 12.172 ( -0.144 -1.508 0.485) 1.591 13.540 ( 1.379 2.408 -0.264) 2.787 13.540 ( 1.379 2.408 0.264) 2.787 14.148 ( -0.934 -3.143 -0.744) 3.363 14.148 ( -0.934 -3.143 0.744) 3.363 15.221 ( 0.002 2.311 -0.142) 2.316 15.221 ( 0.002 2.311 0.142) 2.316 15.899 ( 0.523 -3.397 -0.245) 3.445 15.899 ( 0.523 -3.397 0.245) 3.445 16.005 ( 0.252 1.106 -0.378) 1.196 16.005 ( 0.252 1.106 0.378) 1.196 16.021 ( -1.137 1.194 -1.126) 1.997 16.021 ( -1.137 1.194 1.126) 1.997 17.517 ( 0.977 0.378 -1.539) 1.862 17.517 ( 0.977 0.378 1.539) 1.862 17.706 ( -1.329 -1.659 -1.516) 2.611 17.706 ( -1.329 -1.659 1.516) 2.611 26.846 ( -0.091 -0.011 -0.074) 0.118 26.846 ( -0.091 -0.011 0.074) 0.118 27.017 ( -0.030 -0.898 -0.112) 0.905 27.017 ( -0.030 -0.898 0.112) 0.905 27.781 ( 0.105 5.647 -2.685) 6.254 27.781 ( 0.105 5.647 2.685) 6.254 27.870 ( -0.058 3.481 -3.110) 4.669 27.870 ( -0.058 3.481 3.110) 4.669 29.254 ( 4.798 2.216 -2.570) 5.877 29.254 ( 4.798 2.216 2.570) 5.877 29.929 ( -5.294 -2.022 -5.004) 7.560 29.929 ( -5.294 -2.022 5.004) 7.560 31.379 ( -0.993 1.478 -0.380) 1.821 31.379 ( -0.993 1.478 0.380) 1.821 32.169 ( 1.852 -5.737 -2.625) 6.576 32.169 ( 1.852 -5.737 2.625) 6.576 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 0.000 -0.034 -4.792) 4.792 2.442 ( 0.000 -0.034 4.792) 4.793 2.462 ( 0.000 3.188 -6.909) 7.609 2.462 ( 0.000 3.188 6.909) 7.609 2.547 ( 0.000 15.059 -4.269) 15.653 2.547 ( 0.000 15.059 4.269) 15.653 2.703 ( 0.000 11.938 -1.546) 12.037 2.703 ( 0.000 11.938 1.546) 12.037 3.051 ( 0.000 10.459 -5.313) 11.731 3.051 ( 0.000 10.459 5.313) 11.731 3.244 ( 0.000 12.226 -7.597) 14.394 3.244 ( 0.000 12.226 7.597) 14.394 3.774 ( 0.000 0.697 -0.816) 1.073 3.774 ( 0.000 0.697 0.816) 1.073 3.924 ( 0.000 3.420 -4.804) 5.897 3.924 ( 0.000 3.420 4.804) 5.897 4.316 ( 0.000 -3.638 -13.545) 14.025 4.316 ( 0.000 -3.638 13.545) 14.025 4.701 ( 0.000 0.302 -0.622) 0.691 4.701 ( 0.000 0.302 0.622) 0.691 4.910 ( 0.000 2.134 -2.216) 3.076 4.910 ( 0.000 2.134 2.216) 3.076 5.159 ( 0.000 -0.125 -3.078) 3.081 5.159 ( 0.000 -0.125 3.078) 3.081 5.329 ( 0.000 -2.533 -15.303) 15.511 5.329 ( 0.000 -2.533 15.303) 15.511 5.376 ( 0.000 -2.636 -6.101) 6.646 5.376 ( 0.000 -2.636 6.101) 6.646 5.635 ( 0.000 -3.571 -4.311) 5.598 5.635 ( 0.000 -3.571 4.311) 5.598 5.750 ( 0.000 -4.443 -5.385) 6.982 5.750 ( 0.000 -4.443 5.385) 6.982 6.613 ( 0.000 -1.213 -7.403) 7.502 6.613 ( 0.000 -1.213 7.403) 7.502 6.714 ( 0.000 1.001 -6.486) 6.563 6.714 ( 0.000 1.001 6.486) 6.563 6.905 ( 0.000 -11.934 -6.370) 13.528 6.905 ( 0.000 -11.934 6.370) 13.528 7.296 ( 0.000 2.179 -2.070) 3.006 7.296 ( 0.000 2.179 2.070) 3.006 8.076 ( 0.000 2.962 -8.030) 8.559 8.076 ( 0.000 2.962 8.030) 8.559 8.269 ( 0.000 9.393 -2.703) 9.774 8.269 ( 0.000 9.393 2.703) 9.774 8.586 ( 0.000 -3.948 -2.601) 4.728 8.586 ( 0.000 -3.948 2.602) 4.728 9.085 ( 0.000 -10.154 -2.294) 10.410 9.085 ( 0.000 -10.154 2.294) 10.410 11.750 ( 0.000 4.734 -2.429) 5.321 11.750 ( 0.000 4.734 2.429) 5.321 12.140 ( 0.000 -2.908 -0.885) 3.039 12.140 ( 0.000 -2.908 0.885) 3.039 13.561 ( 0.000 5.262 -1.149) 5.386 13.561 ( 0.000 5.262 1.149) 5.386 14.093 ( 0.000 -6.054 -1.702) 6.289 14.093 ( 0.000 -6.054 1.702) 6.289 15.289 ( 0.000 4.880 -1.153) 5.014 15.289 ( 0.000 4.880 1.153) 5.014 15.819 ( 0.000 -4.083 -0.277) 4.093 15.819 ( 0.000 -4.083 0.277) 4.093 16.032 ( 0.000 1.229 -0.256) 1.256 16.032 ( 0.000 1.229 0.256) 1.256 16.060 ( 0.000 0.473 -1.446) 1.521 16.060 ( 0.000 0.473 1.446) 1.521 17.500 ( 0.000 1.097 -2.643) 2.861 17.500 ( 0.000 1.097 2.643) 2.861 17.701 ( 0.000 -3.129 -1.907) 3.664 17.701 ( 0.000 -3.129 1.907) 3.664 26.854 ( 0.000 0.646 -0.315) 0.718 26.854 ( 0.000 0.646 0.315) 0.718 26.995 ( 0.000 -1.533 -0.226) 1.549 26.995 ( 0.000 -1.533 0.226) 1.549 27.870 ( 0.000 4.153 -4.607) 6.203 27.870 ( 0.000 4.153 4.607) 6.203 27.976 ( 0.000 6.290 -6.043) 8.722 27.976 ( 0.000 6.290 6.043) 8.722 29.149 ( 0.000 4.419 -3.980) 5.947 29.149 ( 0.000 4.419 3.980) 5.947 30.089 ( 0.000 -2.109 -9.905) 10.127 30.089 ( 0.000 -2.109 9.905) 10.127 31.438 ( 0.000 0.518 -0.518) 0.733 31.438 ( 0.000 0.518 0.518) 0.733 31.960 ( 0.000 -6.769 -7.634) 10.203 31.960 ( 0.000 -6.769 7.634) 10.203 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -10.701 0.570 -2.531) 11.011 2.302 ( -10.701 0.570 2.531) 11.011 2.402 ( -4.566 3.102 -3.800) 6.702 2.402 ( -4.566 3.102 3.800) 6.702 2.583 ( 2.432 11.516 -7.251) 13.824 2.583 ( 2.432 11.516 7.251) 13.824 2.771 ( 1.832 17.330 -6.239) 18.510 2.771 ( 1.832 17.330 6.239) 18.510 2.925 ( -3.786 8.204 -3.939) 9.857 2.925 ( -3.786 8.204 3.939) 9.857 3.441 ( 11.048 10.082 -3.255) 15.307 3.441 ( 11.048 10.082 3.255) 15.307 3.777 ( 2.420 1.807 -3.508) 4.629 3.777 ( 2.420 1.807 3.508) 4.629 3.956 ( 2.772 5.625 -1.862) 6.542 3.956 ( 2.772 5.625 1.862) 6.542 4.341 ( 2.353 -2.779 -12.026) 12.565 4.341 ( 2.353 -2.779 12.026) 12.565 4.654 ( -4.780 -0.919 -1.977) 5.254 4.654 ( -4.780 -0.919 1.977) 5.254 4.893 ( -1.678 2.265 -3.071) 4.168 4.893 ( -1.678 2.265 3.071) 4.168 5.141 ( -1.032 -2.413 -2.629) 3.715 5.141 ( -1.032 -2.413 2.629) 3.715 5.341 ( 0.983 -0.976 -14.614) 14.679 5.341 ( 0.983 -0.976 14.614) 14.679 5.406 ( 2.127 -2.519 -8.244) 8.879 5.406 ( 2.127 -2.519 8.244) 8.879 5.644 ( 1.166 -3.538 -4.160) 5.585 5.644 ( 1.166 -3.538 4.160) 5.585 5.773 ( 2.205 -5.849 -5.179) 8.117 5.773 ( 2.205 -5.849 5.179) 8.117 6.578 ( -3.027 0.141 -6.510) 7.181 6.578 ( -3.027 0.141 6.510) 7.181 6.710 ( -0.711 -0.626 -6.826) 6.891 6.710 ( -0.711 -0.626 6.826) 6.891 6.943 ( 4.148 -10.832 -5.655) 12.904 6.943 ( 4.148 -10.832 5.655) 12.904 7.275 ( -2.545 0.406 -1.474) 2.969 7.275 ( -2.545 0.406 1.474) 2.969 8.054 ( -2.257 3.383 -8.279) 9.224 8.054 ( -2.257 3.383 8.279) 9.224 8.227 ( -3.327 9.613 -1.971) 10.362 8.227 ( -3.327 9.613 1.971) 10.362 8.618 ( 2.534 -2.728 -1.342) 3.958 8.618 ( 2.534 -2.728 1.342) 3.958 9.090 ( 0.476 -10.571 -1.892) 10.750 9.090 ( 0.476 -10.571 1.892) 10.750 11.756 ( 0.525 4.818 -1.981) 5.236 11.756 ( 0.525 4.818 1.981) 5.236 12.136 ( -0.414 -2.941 -0.743) 3.062 12.136 ( -0.414 -2.941 0.743) 3.062 13.577 ( 1.558 4.911 -0.864) 5.224 13.577 ( 1.558 4.911 0.864) 5.224 14.082 ( -1.009 -5.832 -1.479) 6.101 14.082 ( -1.009 -5.832 1.479) 6.101 15.291 ( 0.139 4.994 -0.929) 5.082 15.291 ( 0.139 4.994 0.929) 5.082 15.818 ( 0.010 -4.367 -0.218) 4.372 15.818 ( 0.010 -4.367 0.218) 4.372 16.029 ( -0.335 1.051 -0.215) 1.123 16.029 ( -0.335 1.051 0.215) 1.123 16.054 ( -0.482 0.768 -1.109) 1.433 16.054 ( -0.482 0.768 1.109) 1.433 17.510 ( 0.921 0.984 -2.332) 2.694 17.510 ( 0.921 0.984 2.332) 2.694 17.689 ( -1.212 -2.844 -1.666) 3.512 17.689 ( -1.212 -2.844 1.666) 3.512 26.854 ( -0.040 0.704 -0.270) 0.755 26.854 ( -0.040 0.704 0.270) 0.755 26.994 ( -0.060 -1.539 -0.184) 1.551 26.994 ( -0.060 -1.539 0.184) 1.551 27.881 ( 1.088 4.679 -5.007) 6.939 27.881 ( 1.088 4.679 5.007) 6.939 27.969 ( -0.727 5.959 -6.107) 8.563 27.969 ( -0.727 5.959 6.107) 8.563 29.205 ( 5.651 4.375 -4.348) 8.365 29.205 ( 5.651 4.375 4.348) 8.365 30.016 ( -7.241 -2.590 -8.993) 11.833 30.016 ( -7.241 -2.590 8.993) 11.833 31.433 ( -0.472 1.771 -1.048) 2.111 31.433 ( -0.472 1.771 1.048) 2.111 31.985 ( 2.220 -7.773 -5.961) 10.044 31.985 ( 2.220 -7.773 5.961) 10.044 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -4.812 1.254 -0.857) 5.046 2.148 ( -4.812 1.254 0.857) 5.046 2.329 ( -2.546 0.016 -1.450) 2.930 2.329 ( -2.546 0.016 1.450) 2.930 2.622 ( 1.657 10.914 -6.453) 12.787 2.622 ( 1.657 10.914 6.453) 12.787 2.723 ( -3.126 15.536 -6.017) 16.951 2.723 ( -3.126 15.536 6.017) 16.951 2.958 ( 2.804 11.760 -2.758) 12.401 2.958 ( 2.804 11.760 2.758) 12.401 3.525 ( 0.240 5.819 -1.672) 6.060 3.525 ( 0.240 5.819 1.672) 6.060 3.886 ( 5.670 7.672 -1.892) 9.725 3.886 ( 5.670 7.672 1.892) 9.725 4.008 ( 2.578 8.622 -0.841) 9.038 4.008 ( 2.578 8.622 0.841) 9.038 4.381 ( 1.395 -1.492 -5.449) 5.819 4.381 ( 1.395 -1.492 5.449) 5.819 4.555 ( -4.380 -3.735 -1.794) 6.029 4.555 ( -4.380 -3.735 1.795) 6.029 4.861 ( -1.263 1.466 -2.070) 2.833 4.861 ( -1.263 1.466 2.070) 2.833 5.133 ( -0.017 -3.181 -1.659) 3.588 5.133 ( -0.017 -3.181 1.659) 3.588 5.362 ( 1.106 -4.948 -10.743) 11.879 5.362 ( 1.106 -4.948 10.743) 11.879 5.422 ( -0.167 1.534 -8.222) 8.366 5.423 ( -0.167 1.534 8.222) 8.366 5.671 ( 1.188 -1.661 -1.916) 2.800 5.671 ( 1.188 -1.661 1.916) 2.800 5.813 ( 1.516 -10.000 -2.645) 10.455 5.813 ( 1.516 -10.000 2.645) 10.455 6.528 ( -1.831 1.806 -2.673) 3.709 6.528 ( -1.831 1.806 2.673) 3.709 6.694 ( -0.644 -1.878 -2.993) 3.592 6.694 ( -0.644 -1.878 2.993) 3.592 7.048 ( 6.452 -8.868 -3.859) 11.626 7.048 ( 6.452 -8.868 3.859) 11.626 7.196 ( -5.593 -3.466 -1.762) 6.811 7.196 ( -5.593 -3.466 1.762) 6.811 8.013 ( -1.523 5.587 -4.084) 7.087 8.013 ( -1.523 5.587 4.085) 7.087 8.181 ( -1.316 9.506 -1.989) 9.801 8.181 ( -1.316 9.506 1.989) 9.801 8.654 ( 1.102 -1.500 -0.370) 1.897 8.654 ( 1.102 -1.500 0.370) 1.897 9.098 ( 0.288 -11.192 -0.744) 11.220 9.098 ( 0.288 -11.192 0.744) 11.220 11.765 ( 0.334 4.968 -0.768) 5.038 11.765 ( 0.334 4.968 0.768) 5.038 12.128 ( -0.266 -3.010 -0.303) 3.037 12.128 ( -0.266 -3.010 0.303) 3.037 13.605 ( 1.035 4.315 -0.291) 4.447 13.605 ( 1.035 4.315 0.291) 4.447 14.064 ( -0.700 -5.440 -0.637) 5.522 14.064 ( -0.700 -5.440 0.637) 5.522 15.293 ( 0.082 5.184 -0.352) 5.197 15.293 ( 0.082 5.184 0.352) 5.197 15.819 ( 0.056 -4.913 -0.088) 4.914 15.819 ( 0.056 -4.913 0.088) 4.914 16.022 ( -0.316 0.890 -0.131) 0.954 16.022 ( -0.316 0.890 0.131) 0.954 16.047 ( -0.232 1.203 -0.347) 1.273 16.047 ( -0.232 1.203 0.347) 1.273 17.528 ( 0.743 0.764 -1.095) 1.528 17.528 ( 0.743 0.764 1.095) 1.528 17.666 ( -0.920 -2.350 -0.798) 2.647 17.666 ( -0.920 -2.350 0.798) 2.647 26.853 ( -0.022 0.796 -0.111) 0.805 26.853 ( -0.022 0.796 0.111) 0.805 26.993 ( -0.037 -1.549 -0.071) 1.551 26.993 ( -0.037 -1.549 0.071) 1.551 27.903 ( 1.056 6.123 -3.963) 7.370 27.903 ( 1.056 6.123 3.963) 7.370 27.953 ( -0.840 4.829 -4.356) 6.558 27.953 ( -0.840 4.829 4.356) 6.558 29.322 ( 5.225 4.819 -3.016) 7.721 29.322 ( 5.225 4.819 3.016) 7.721 29.873 ( -6.149 -3.791 -4.719) 8.628 29.873 ( -6.149 -3.791 4.719) 8.628 31.426 ( -0.238 3.432 -0.564) 3.486 31.426 ( -0.238 3.432 0.564) 3.486 32.021 ( 1.263 -9.118 -2.168) 9.457 32.021 ( 1.263 -9.118 2.168) 9.457 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 0.000 -0.126 -2.279) 2.283 2.439 ( 0.000 -0.126 2.279) 2.283 2.467 ( 0.000 -0.245 -0.761) 0.800 2.467 ( 0.000 -0.245 0.761) 0.800 2.789 ( 0.000 8.840 -0.332) 8.846 2.789 ( 0.000 8.840 0.332) 8.846 2.992 ( 0.000 14.306 -5.603) 15.364 2.992 ( 0.000 14.306 5.603) 15.364 3.168 ( 0.000 2.195 -7.920) 8.219 3.168 ( 0.000 2.195 7.920) 8.219 3.490 ( 0.000 12.190 -9.583) 15.506 3.490 ( 0.000 12.190 9.583) 15.506 3.790 ( 0.000 0.211 -4.282) 4.287 3.790 ( 0.000 0.211 4.282) 4.287 3.975 ( 0.000 1.782 -3.654) 4.066 3.975 ( 0.000 1.782 3.654) 4.066 4.279 ( 0.000 -0.502 -11.409) 11.420 4.279 ( 0.000 -0.502 11.409) 11.420 4.667 ( 0.000 -4.181 -2.296) 4.770 4.667 ( 0.000 -4.181 2.296) 4.770 4.936 ( 0.000 1.382 -3.377) 3.649 4.936 ( 0.000 1.382 3.377) 3.649 5.129 ( 0.000 -0.722 -1.567) 1.725 5.129 ( 0.000 -0.722 1.567) 1.725 5.221 ( 0.000 -4.728 -3.905) 6.132 5.221 ( 0.000 -4.728 3.905) 6.132 5.473 ( 0.000 3.912 -9.115) 9.919 5.473 ( 0.000 3.912 9.115) 9.919 5.512 ( 0.000 -4.854 -7.678) 9.084 5.512 ( 0.000 -4.854 7.678) 9.084 5.704 ( 0.000 -0.814 -3.277) 3.377 5.704 ( 0.000 -0.814 3.277) 3.377 6.584 ( 0.000 -2.008 -1.065) 2.272 6.584 ( 0.000 -2.008 1.065) 2.272 6.669 ( 0.000 -5.876 -7.423) 9.467 6.669 ( 0.000 -5.876 7.423) 9.467 6.783 ( 0.000 -0.008 -3.251) 3.251 6.783 ( 0.000 -0.008 3.251) 3.251 7.345 ( 0.000 2.440 -0.956) 2.620 7.345 ( 0.000 2.440 0.956) 2.620 8.121 ( 0.000 1.893 -6.690) 6.952 8.121 ( 0.000 1.893 6.690) 6.952 8.428 ( 0.000 6.523 -1.763) 6.757 8.428 ( 0.000 6.523 1.763) 6.757 8.520 ( 0.000 -2.131 -0.985) 2.348 8.520 ( 0.000 -2.131 0.985) 2.348 8.877 ( 0.000 -10.561 -2.692) 10.899 8.877 ( 0.000 -10.561 2.692) 10.899 11.852 ( 0.000 5.664 -2.154) 6.060 11.852 ( 0.000 5.664 2.154) 6.060 12.067 ( 0.000 -4.621 -0.202) 4.625 12.067 ( 0.000 -4.621 0.202) 4.625 13.676 ( 0.000 6.543 -1.117) 6.638 13.676 ( 0.000 6.543 1.117) 6.638 13.964 ( 0.000 -7.113 -1.466) 7.263 13.964 ( 0.000 -7.113 1.466) 7.263 15.401 ( 0.000 6.359 -1.496) 6.533 15.401 ( 0.000 6.359 1.496) 6.533 15.727 ( 0.000 -5.236 -0.782) 5.294 15.727 ( 0.000 -5.236 0.782) 5.294 16.044 ( 0.000 0.197 -0.380) 0.428 16.044 ( 0.000 0.197 0.380) 0.428 16.075 ( 0.000 0.861 -0.529) 1.010 16.075 ( 0.000 0.861 0.529) 1.010 17.520 ( 0.000 0.863 -1.312) 1.570 17.520 ( 0.000 0.863 1.312) 1.570 17.648 ( 0.000 -2.139 -0.448) 2.186 17.648 ( 0.000 -2.139 0.448) 2.186 26.876 ( 0.000 1.580 -0.242) 1.599 26.876 ( 0.000 1.580 0.242) 1.599 26.961 ( 0.000 -1.915 -0.122) 1.919 26.961 ( 0.000 -1.915 0.122) 1.919 27.930 ( 0.000 2.068 -2.391) 3.161 27.930 ( 0.000 2.068 2.391) 3.161 28.080 ( 0.000 3.961 -2.350) 4.606 28.080 ( 0.000 3.961 2.350) 4.606 29.238 ( 0.000 4.201 -3.429) 5.423 29.238 ( 0.000 4.201 3.429) 5.423 30.048 ( 0.000 -1.944 -6.278) 6.572 30.048 ( 0.000 -1.944 6.278) 6.572 31.454 ( 0.000 1.020 -0.465) 1.121 31.454 ( 0.000 1.020 0.465) 1.121 31.839 ( 0.000 -5.217 -4.512) 6.898 31.839 ( 0.000 -5.217 4.512) 6.898 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -9.905 1.251 -2.170) 10.217 2.319 ( -9.905 1.251 2.170) 10.217 2.404 ( -5.463 -1.211 -0.307) 5.604 2.404 ( -5.463 -1.211 0.307) 5.604 2.793 ( 0.578 9.010 -5.273) 10.456 2.793 ( 0.578 9.010 5.273) 10.456 3.015 ( -6.427 2.731 -2.463) 7.405 3.015 ( -6.427 2.731 2.463) 7.405 3.143 ( 7.188 16.899 -5.707) 19.230 3.143 ( 7.188 16.899 5.707) 19.230 3.605 ( 4.977 5.687 -6.839) 10.193 3.605 ( 4.977 5.687 6.839) 10.193 3.814 ( 6.325 2.155 -4.749) 8.197 3.814 ( 6.325 2.155 4.749) 8.197 4.054 ( 6.864 3.586 -0.142) 7.745 4.054 ( 6.864 3.586 0.142) 7.745 4.318 ( 3.611 0.156 -11.068) 11.644 4.318 ( 3.611 0.156 11.069) 11.644 4.604 ( -6.439 -4.220 -1.989) 7.952 4.604 ( -6.439 -4.220 1.989) 7.952 4.933 ( -1.130 1.874 -4.987) 5.446 4.933 ( -1.130 1.874 4.987) 5.446 5.056 ( -3.751 -4.069 -3.986) 6.820 5.056 ( -3.751 -4.069 3.986) 6.820 5.287 ( 2.932 -1.786 -3.957) 5.239 5.287 ( 2.932 -1.786 3.957) 5.239 5.478 ( 0.951 2.495 -6.934) 7.430 5.478 ( 0.951 2.495 6.934) 7.430 5.520 ( 1.387 -4.899 -5.728) 7.664 5.520 ( 1.387 -4.899 5.728) 7.664 5.709 ( -0.017 -1.248 -3.208) 3.442 5.709 ( -0.017 -1.248 3.208) 3.442 6.571 ( -1.236 -1.108 -1.952) 2.562 6.571 ( -1.236 -1.108 1.952) 2.562 6.653 ( -1.376 -4.861 -6.702) 8.393 6.653 ( -1.376 -4.861 6.702) 8.393 6.821 ( 4.117 -1.700 -3.816) 5.866 6.821 ( 4.117 -1.700 3.816) 5.866 7.282 ( -6.503 0.238 -0.546) 6.531 7.282 ( -6.503 0.238 0.546) 6.531 8.133 ( 1.301 4.657 -7.481) 8.908 8.133 ( 1.301 4.657 7.481) 8.908 8.382 ( -3.431 6.187 -4.145) 8.200 8.382 ( -3.431 6.187 4.145) 8.200 8.569 ( 3.605 -1.778 -1.351) 4.241 8.569 ( 3.605 -1.778 1.351) 4.241 8.871 ( -0.638 -11.314 -2.437) 11.591 8.871 ( -0.638 -11.314 2.437) 11.591 11.857 ( 0.512 5.566 -1.766) 5.862 11.857 ( 0.512 5.566 1.766) 5.862 12.064 ( -0.313 -4.483 -0.192) 4.498 12.064 ( -0.313 -4.483 0.192) 4.498 13.686 ( 0.904 6.220 -0.888) 6.348 13.686 ( 0.904 6.220 0.888) 6.348 13.958 ( -0.577 -6.893 -1.241) 7.027 13.958 ( -0.577 -6.893 1.241) 7.027 15.407 ( 0.511 6.695 -1.247) 6.830 15.407 ( 0.511 6.695 1.247) 6.830 15.721 ( -0.634 -5.674 -0.694) 5.752 15.721 ( -0.634 -5.674 0.694) 5.752 16.042 ( -0.169 0.400 -0.370) 0.571 16.042 ( -0.169 0.400 0.370) 0.571 16.070 ( -0.458 0.724 -0.435) 0.960 16.070 ( -0.458 0.724 0.435) 0.960 17.529 ( 0.862 0.912 -1.167) 1.714 17.529 ( 0.862 0.912 1.167) 1.714 17.640 ( -0.886 -2.077 -0.433) 2.299 17.640 ( -0.886 -2.077 0.433) 2.299 26.877 ( 0.061 1.644 -0.205) 1.658 26.877 ( 0.061 1.644 0.205) 1.658 26.960 ( -0.088 -1.951 -0.103) 1.956 26.960 ( -0.088 -1.951 0.103) 1.956 27.948 ( 1.886 2.337 -2.666) 4.016 27.948 ( 1.886 2.337 2.666) 4.016 28.069 ( -1.185 3.847 -2.653) 4.821 28.069 ( -1.185 3.847 2.653) 4.821 29.295 ( 5.903 4.335 -3.666) 8.190 29.295 ( 5.903 4.335 3.666) 8.190 29.965 ( -8.321 -2.462 -5.900) 10.493 29.965 ( -8.321 -2.462 5.900) 10.493 31.478 ( 2.142 2.701 -1.365) 3.708 31.478 ( 2.142 2.701 1.365) 3.708 31.839 ( -0.018 -6.714 -3.892) 7.760 31.839 ( -0.018 -6.714 3.892) 7.760 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -3.881 2.261 -1.099) 4.624 2.182 ( -3.881 2.261 1.099) 4.624 2.298 ( -4.279 -2.350 -0.410) 4.899 2.298 ( -4.279 -2.350 0.410) 4.899 2.810 ( 1.014 7.910 -3.928) 8.889 2.810 ( 1.014 7.910 3.928) 8.889 2.908 ( -3.539 3.865 -2.665) 5.879 2.908 ( -3.539 3.865 2.665) 5.879 3.271 ( 4.392 18.371 -1.663) 18.961 3.271 ( 4.392 18.371 1.663) 18.961 3.612 ( -1.280 2.450 -1.559) 3.174 3.612 ( -1.280 2.450 1.559) 3.174 3.996 ( 8.143 4.217 -2.178) 9.425 3.996 ( 8.143 4.217 2.178) 9.425 4.192 ( 7.990 6.961 -0.931) 10.638 4.192 ( 7.990 6.961 0.931) 10.638 4.359 ( -1.972 -0.807 -5.505) 5.903 4.359 ( -1.972 -0.807 5.505) 5.903 4.468 ( -5.354 -4.113 -1.281) 6.872 4.468 ( -5.354 -4.113 1.281) 6.872 4.891 ( -2.051 1.543 -3.267) 4.155 4.891 ( -2.051 1.543 3.268) 4.155 5.029 ( -0.132 -6.095 -2.360) 6.537 5.029 ( -0.132 -6.095 2.360) 6.537 5.300 ( -0.440 0.162 -2.577) 2.619 5.300 ( -0.440 0.162 2.577) 2.619 5.492 ( 0.235 0.930 -2.724) 2.888 5.492 ( 0.235 0.930 2.724) 2.888 5.588 ( 5.223 -5.296 -2.610) 7.883 5.588 ( 5.223 -5.296 2.610) 7.883 5.681 ( -3.238 -2.246 -2.706) 4.780 5.681 ( -3.238 -2.246 2.706) 4.780 6.550 ( -0.772 0.533 -0.921) 1.314 6.550 ( -0.772 0.533 0.921) 1.314 6.632 ( -0.644 -4.107 -2.800) 5.012 6.632 ( -0.644 -4.107 2.800) 5.012 6.934 ( 7.629 -2.974 -3.091) 8.752 6.934 ( 7.629 -2.974 3.091) 8.752 7.128 ( -9.183 -3.270 -1.615) 9.881 7.128 ( -9.183 -3.270 1.615) 9.881 8.162 ( 1.350 9.304 -4.598) 10.466 8.162 ( 1.350 9.304 4.598) 10.466 8.327 ( -1.999 5.518 -3.392) 6.779 8.327 ( -1.999 5.518 3.392) 6.779 8.622 ( 1.673 -1.491 -1.036) 2.469 8.622 ( 1.673 -1.491 1.036) 2.469 8.859 ( -0.475 -12.864 -1.153) 12.925 8.859 ( -0.475 -12.864 1.153) 12.925 11.866 ( 0.333 5.405 -0.692) 5.460 11.866 ( 0.333 5.405 0.692) 5.460 12.058 ( -0.212 -4.258 -0.095) 4.265 12.058 ( -0.212 -4.258 0.095) 4.265 13.702 ( 0.604 5.672 -0.332) 5.714 13.702 ( 0.604 5.672 0.332) 5.714 13.947 ( -0.403 -6.510 -0.515) 6.543 13.947 ( -0.403 -6.510 0.515) 6.543 15.416 ( 0.339 7.335 -0.503) 7.360 15.416 ( 0.339 7.335 0.503) 7.360 15.710 ( -0.413 -6.500 -0.310) 6.520 15.710 ( -0.413 -6.500 0.310) 6.520 16.040 ( -0.066 0.899 -0.198) 0.923 16.040 ( -0.066 0.899 0.198) 0.923 16.062 ( -0.321 0.354 -0.193) 0.516 16.062 ( -0.321 0.354 0.193) 0.516 17.546 ( 0.770 1.144 -0.585) 1.498 17.546 ( 0.770 1.144 0.585) 1.498 17.622 ( -0.785 -2.130 -0.289) 2.289 17.622 ( -0.785 -2.130 0.289) 2.289 26.878 ( 0.040 1.751 -0.084) 1.753 26.878 ( 0.040 1.751 0.084) 1.753 26.958 ( -0.055 -2.013 -0.042) 2.014 26.958 ( -0.055 -2.013 0.042) 2.014 27.992 ( 2.587 2.997 -3.037) 4.990 27.992 ( 2.587 2.997 3.037) 4.990 28.038 ( -2.162 3.439 -3.043) 5.076 28.038 ( -2.162 3.439 3.043) 5.076 29.430 ( 7.145 5.950 -3.044) 9.784 29.430 ( 7.145 5.950 3.044) 9.784 29.789 ( -8.517 -4.634 -3.861) 10.437 29.789 ( -8.517 -4.634 3.861) 10.437 31.513 ( 1.201 5.631 -0.857) 5.821 31.513 ( 1.201 5.631 0.857) 5.821 31.839 ( -0.005 -9.410 -1.651) 9.553 31.839 ( -0.005 -9.410 1.651) 9.553 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 -0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 -0.000 -0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 -0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 -0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 -0.000 -0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 -0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 -0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 6.547 ( 0.000 -0.000 0.000) 0.000 6.547 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 -0.000 0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 -0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.469 ( 0.000 -0.000 0.000) 0.000 8.469 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.745 ( 0.000 -0.000 0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 11.947 ( 0.000 0.000 -0.000) 0.000 11.947 ( 0.000 0.000 0.000) 0.000 11.982 ( 0.000 -0.000 -0.000) 0.000 11.982 ( 0.000 -0.000 0.000) 0.000 13.783 ( 0.000 0.000 0.000) 0.000 13.783 ( 0.000 0.000 0.000) 0.000 13.851 ( 0.000 -0.000 0.000) 0.000 13.851 ( 0.000 0.000 0.000) 0.000 15.487 ( 0.000 0.000 0.000) 0.000 15.487 ( 0.000 0.000 0.000) 0.000 15.654 ( 0.000 0.000 0.000) 0.000 15.654 ( 0.000 0.000 0.000) 0.000 16.046 ( 0.000 0.000 0.000) 0.000 16.046 ( 0.000 0.000 0.000) 0.000 16.084 ( 0.000 0.000 0.000) 0.000 16.084 ( 0.000 0.000 0.000) 0.000 17.529 ( 0.000 0.000 0.000) 0.000 17.529 ( 0.000 0.000 0.000) 0.000 17.626 ( 0.000 0.000 0.000) 0.000 17.626 ( 0.000 0.000 0.000) 0.000 26.902 ( 0.000 0.000 0.000) 0.000 26.902 ( 0.000 0.000 0.000) 0.000 26.932 ( 0.000 -0.000 0.000) 0.000 26.932 ( 0.000 0.000 0.000) 0.000 27.950 ( 0.000 0.000 0.000) 0.000 27.950 ( 0.000 0.000 0.000) 0.000 28.119 ( 0.000 0.000 0.000) 0.000 28.119 ( 0.000 0.000 0.000) 0.000 29.283 ( 0.000 0.000 0.000) 0.000 29.283 ( 0.000 0.000 0.000) 0.000 30.027 ( 0.000 0.000 0.000) 0.000 30.027 ( 0.000 0.000 0.000) 0.000 31.467 ( 0.000 0.000 0.000) 0.000 31.467 ( 0.000 0.000 0.000) 0.000 31.784 ( 0.000 -0.000 0.000) 0.000 31.784 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -9.615 -0.000 0.000) 9.615 2.338 ( -9.615 0.000 0.000) 9.615 2.385 ( -5.618 0.000 0.000) 5.618 2.385 ( -5.618 0.000 0.000) 5.618 2.897 ( 0.330 0.000 0.000) 0.330 2.897 ( 0.330 0.000 0.000) 0.330 3.021 ( -6.814 0.000 0.000) 6.814 3.021 ( -6.814 0.000 0.000) 6.814 3.336 ( 10.693 0.000 0.000) 10.693 3.336 ( 10.693 0.000 0.000) 10.693 3.644 ( -0.392 -0.000 0.000) 0.392 3.644 ( -0.392 0.000 0.000) 0.392 3.850 ( 8.073 0.000 0.000) 8.073 3.850 ( 8.073 0.000 0.000) 8.073 4.081 ( 8.248 0.000 0.000) 8.248 4.081 ( 8.248 0.000 0.000) 8.248 4.326 ( 4.468 -0.000 0.000) 4.468 4.326 ( 4.468 0.000 0.000) 4.468 4.545 ( -6.191 0.000 0.000) 6.191 4.545 ( -6.191 0.000 0.000) 6.191 4.957 ( -0.250 0.000 0.000) 0.250 4.957 ( -0.250 0.000 0.000) 0.250 5.013 ( -6.634 -0.000 -0.000) 6.634 5.013 ( -6.634 0.000 -0.000) 6.634 5.289 ( 6.352 -0.000 0.000) 6.352 5.289 ( 6.352 0.000 0.000) 6.352 5.397 ( -0.949 -0.000 0.000) 0.949 5.397 ( -0.949 0.000 0.000) 0.949 5.560 ( 0.151 0.000 0.000) 0.151 5.560 ( 0.151 0.000 0.000) 0.151 5.699 ( -0.410 0.000 0.000) 0.410 5.699 ( -0.410 0.000 0.000) 0.410 6.545 ( 0.045 0.000 0.000) 0.045 6.545 ( 0.045 0.000 0.000) 0.045 6.605 ( -1.062 -0.000 0.000) 1.062 6.605 ( -1.062 0.000 0.000) 1.062 6.814 ( 2.807 0.000 0.000) 2.807 6.814 ( 2.807 0.000 0.000) 2.807 7.284 ( -8.653 0.000 0.000) 8.653 7.284 ( -8.653 0.000 0.000) 8.653 8.192 ( 4.744 -0.000 0.000) 4.744 8.192 ( 4.744 0.000 0.000) 4.744 8.442 ( -2.581 -0.000 0.000) 2.581 8.442 ( -2.581 0.000 0.000) 2.581 8.569 ( 2.462 0.000 0.000) 2.462 8.569 ( 2.462 0.000 0.000) 2.462 8.727 ( -1.846 -0.000 0.000) 1.846 8.727 ( -1.846 0.000 0.000) 1.846 11.951 ( 0.477 0.000 -0.000) 0.477 11.951 ( 0.477 0.000 0.000) 0.477 11.979 ( -0.241 -0.000 -0.000) 0.241 11.979 ( -0.241 -0.000 0.000) 0.241 13.791 ( 0.815 0.000 0.000) 0.815 13.791 ( 0.815 0.000 0.000) 0.815 13.846 ( -0.587 -0.000 0.000) 0.587 13.846 ( -0.587 -0.000 0.000) 0.587 15.502 ( 1.562 0.000 0.000) 1.562 15.502 ( 1.562 0.000 0.000) 1.562 15.637 ( -1.781 0.000 0.000) 1.781 15.637 ( -1.781 0.000 0.000) 1.781 16.046 ( 0.088 0.000 0.000) 0.088 16.046 ( 0.088 0.000 0.000) 0.088 16.078 ( -0.651 0.000 0.000) 0.651 16.078 ( -0.651 0.000 0.000) 0.651 17.539 ( 1.021 0.000 0.000) 1.021 17.539 ( 1.021 0.000 0.000) 1.021 17.617 ( -0.941 0.000 0.000) 0.941 17.617 ( -0.941 0.000 0.000) 0.941 26.905 ( 0.302 0.000 0.000) 0.302 26.905 ( 0.302 0.000 0.000) 0.302 26.929 ( -0.304 -0.000 0.000) 0.304 26.929 ( -0.304 0.000 0.000) 0.304 27.971 ( 2.153 0.000 0.000) 2.153 27.971 ( 2.153 0.000 0.000) 2.153 28.107 ( -1.303 0.000 0.000) 1.303 28.107 ( -1.303 0.000 0.000) 1.303 29.342 ( 6.252 0.000 0.000) 6.252 29.342 ( 6.252 0.000 0.000) 6.252 29.938 ( -9.022 0.000 0.000) 9.022 29.938 ( -9.022 0.000 0.000) 9.022 31.513 ( 4.521 -0.000 0.000) 4.521 31.513 ( 4.521 0.000 0.000) 4.521 31.764 ( -2.236 -0.000 0.000) 2.236 31.764 ( -2.236 0.000 0.000) 2.236 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -2.171 -0.000 0.000) 2.171 2.218 ( -2.171 0.000 0.000) 2.171 2.262 ( -6.096 0.000 0.000) 6.096 2.262 ( -6.096 0.000 0.000) 6.096 2.901 ( 0.473 0.000 0.000) 0.473 2.901 ( 0.473 0.000 0.000) 0.473 2.928 ( -2.944 0.000 0.000) 2.944 2.928 ( -2.944 0.000 0.000) 2.944 3.507 ( 7.217 0.000 0.000) 7.217 3.507 ( 7.217 0.000 0.000) 7.217 3.606 ( -3.724 0.000 0.000) 3.724 3.606 ( -3.724 0.000 0.000) 3.724 4.053 ( 12.453 0.000 0.000) 12.453 4.053 ( 12.453 0.000 0.000) 12.453 4.201 ( 0.724 0.000 0.000) 0.724 4.201 ( 0.724 0.000 0.000) 0.724 4.394 ( 1.528 0.000 -0.000) 1.528 4.394 ( 1.528 0.000 0.000) 1.528 4.416 ( -4.959 -0.000 -0.000) 4.959 4.416 ( -4.959 -0.000 0.000) 4.959 4.928 ( -1.790 -0.000 0.000) 1.790 4.928 ( -1.790 -0.000 0.000) 1.790 4.939 ( -1.690 0.000 -0.000) 1.690 4.939 ( -1.690 0.000 0.000) 1.690 5.370 ( 2.084 0.000 0.000) 2.084 5.370 ( 2.084 0.000 0.000) 2.084 5.385 ( -0.349 -0.000 0.000) 0.349 5.385 ( -0.349 -0.000 0.000) 0.349 5.589 ( 3.383 0.000 0.000) 3.383 5.589 ( 3.383 -0.000 0.000) 3.383 5.663 ( -3.598 0.000 0.000) 3.598 5.663 ( -3.598 0.000 0.000) 3.598 6.556 ( 1.078 -0.000 0.000) 1.078 6.556 ( 1.078 0.000 0.000) 1.078 6.581 ( -1.493 0.000 0.000) 1.493 6.581 ( -1.493 0.000 0.000) 1.493 6.911 ( 7.870 0.000 0.000) 7.870 6.911 ( 7.870 0.000 0.000) 7.870 7.092 ( -11.120 0.000 0.000) 11.120 7.092 ( -11.120 0.000 0.000) 11.120 8.290 ( 5.414 -0.000 0.000) 5.414 8.290 ( 5.414 0.000 0.000) 5.414 8.380 ( -4.190 -0.000 0.000) 4.190 8.380 ( -4.190 0.000 0.000) 4.190 8.623 ( 3.201 -0.000 0.000) 3.201 8.623 ( 3.201 0.000 0.000) 3.201 8.681 ( -2.999 -0.000 0.000) 2.999 8.681 ( -2.999 0.000 0.000) 2.999 11.962 ( 0.628 0.000 0.000) 0.628 11.962 ( 0.628 0.000 0.000) 0.628 11.973 ( -0.483 -0.000 0.000) 0.483 11.973 ( -0.483 -0.000 0.000) 0.483 13.810 ( 1.166 0.000 0.000) 1.166 13.810 ( 1.166 0.000 0.000) 1.166 13.831 ( -1.026 -0.000 0.000) 1.026 13.831 ( -1.026 -0.000 0.000) 1.026 15.542 ( 2.649 -0.000 0.000) 2.649 15.542 ( 2.649 0.000 0.000) 2.649 15.593 ( -2.790 -0.000 0.000) 2.790 15.593 ( -2.790 0.000 0.000) 2.790 16.051 ( 0.475 -0.000 0.000) 0.475 16.051 ( 0.475 0.000 0.000) 0.475 16.063 ( -0.814 -0.000 0.000) 0.814 16.063 ( -0.814 0.000 0.000) 0.814 17.564 ( 1.589 0.000 0.000) 1.589 17.564 ( 1.589 0.000 0.000) 1.589 17.594 ( -1.542 0.000 0.000) 1.542 17.594 ( -1.542 0.000 0.000) 1.542 26.912 ( 0.482 0.000 0.000) 0.482 26.912 ( 0.482 0.000 0.000) 0.482 26.922 ( -0.481 -0.000 0.000) 0.481 26.922 ( -0.481 0.000 0.000) 0.481 28.020 ( 2.974 0.000 0.000) 2.974 28.020 ( 2.974 0.000 0.000) 2.974 28.072 ( -2.455 0.000 0.000) 2.455 28.072 ( -2.455 0.000 0.000) 2.455 29.505 ( 11.078 0.000 0.000) 11.078 29.505 ( 11.078 0.000 0.000) 11.078 29.729 ( -12.641 0.000 0.000) 12.641 29.729 ( -12.641 0.000 0.000) 12.641 31.611 ( 5.556 -0.000 0.000) 5.556 31.611 ( 5.556 0.000 0.000) 5.556 31.703 ( -4.287 -0.000 0.000) 4.287 31.703 ( -4.287 0.000 0.000) 4.287 =================== 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 3/33600 10.0 732.668 800.329 590.468 0.000 0.000 -0.000 3/33600 20.0 171.085 177.184 193.353 0.000 0.000 -0.000 3/33600 30.0 60.962 73.285 77.824 0.000 0.000 -0.000 3/33600 40.0 30.269 39.247 39.361 0.000 0.000 -0.000 3/33600 50.0 18.373 24.746 23.783 0.000 0.000 -0.000 3/33600 60.0 12.628 17.376 16.245 0.000 0.000 -0.000 3/33600 70.0 9.425 13.144 12.072 0.000 0.000 -0.000 3/33600 80.0 7.449 10.484 9.517 0.000 0.000 -0.000 3/33600 90.0 6.135 8.691 7.826 0.000 0.000 -0.000 3/33600 100.0 5.209 7.415 6.638 0.000 0.000 -0.000 3/33600 110.0 4.525 6.467 5.764 0.000 0.000 -0.000 3/33600 120.0 4.002 5.737 5.095 0.000 0.000 -0.000 3/33600 130.0 3.590 5.159 4.569 0.000 0.000 -0.000 3/33600 140.0 3.258 4.692 4.145 0.000 0.000 -0.000 3/33600 150.0 2.985 4.307 3.796 0.000 0.000 -0.000 3/33600 160.0 2.757 3.984 3.504 0.000 0.000 -0.000 3/33600 170.0 2.564 3.711 3.256 0.000 0.000 -0.000 3/33600 180.0 2.399 3.476 3.043 0.000 0.000 -0.000 3/33600 190.0 2.257 3.272 2.859 0.000 0.000 -0.000 3/33600 200.0 2.132 3.094 2.697 0.000 0.000 -0.000 3/33600 210.0 2.023 2.937 2.555 0.000 0.000 -0.000 3/33600 220.0 1.927 2.798 2.428 0.000 0.000 -0.000 3/33600 230.0 1.841 2.674 2.315 0.000 0.000 -0.000 3/33600 240.0 1.764 2.562 2.213 0.000 0.000 -0.000 3/33600 250.0 1.694 2.461 2.121 0.000 0.000 -0.000 3/33600 260.0 1.632 2.370 2.037 0.000 0.000 -0.000 3/33600 270.0 1.574 2.286 1.961 0.000 0.000 -0.000 3/33600 280.0 1.522 2.210 1.890 0.000 0.000 -0.000 3/33600 290.0 1.474 2.139 1.826 0.000 0.000 -0.000 3/33600 300.0 1.430 2.074 1.766 0.000 0.000 -0.000 3/33600 310.0 1.389 2.014 1.711 0.000 0.000 -0.000 3/33600 320.0 1.351 1.957 1.659 0.000 0.000 -0.000 3/33600 330.0 1.315 1.905 1.611 0.000 0.000 -0.000 3/33600 340.0 1.282 1.856 1.566 0.000 0.000 -0.000 3/33600 350.0 1.251 1.809 1.523 0.000 0.000 -0.000 3/33600 360.0 1.221 1.766 1.484 0.000 0.000 -0.000 3/33600 370.0 1.193 1.725 1.446 0.000 0.000 -0.000 3/33600 380.0 1.167 1.686 1.411 0.000 0.000 -0.000 3/33600 390.0 1.142 1.649 1.377 0.000 0.000 -0.000 3/33600 400.0 1.118 1.613 1.345 0.000 0.000 -0.000 3/33600 410.0 1.095 1.580 1.315 0.000 0.000 -0.000 3/33600 420.0 1.074 1.548 1.286 0.000 0.000 -0.000 3/33600 430.0 1.053 1.517 1.259 0.000 0.000 -0.000 3/33600 440.0 1.033 1.488 1.232 0.000 0.000 -0.000 3/33600 450.0 1.014 1.460 1.207 0.000 0.000 -0.000 3/33600 460.0 0.996 1.433 1.183 0.000 0.000 -0.000 3/33600 470.0 0.978 1.407 1.160 0.000 0.000 -0.000 3/33600 480.0 0.961 1.382 1.138 0.000 0.000 -0.000 3/33600 490.0 0.945 1.358 1.117 0.000 0.000 -0.000 3/33600 500.0 0.929 1.335 1.096 0.000 0.000 -0.000 3/33600 510.0 0.914 1.313 1.077 0.000 0.000 -0.000 3/33600 520.0 0.900 1.291 1.058 0.000 0.000 -0.000 3/33600 530.0 0.885 1.270 1.039 0.000 0.000 -0.000 3/33600 540.0 0.872 1.250 1.022 0.000 0.000 -0.000 3/33600 550.0 0.858 1.230 1.005 0.000 0.000 -0.000 3/33600 560.0 0.845 1.212 0.988 0.000 0.000 -0.000 3/33600 570.0 0.833 1.193 0.972 0.000 0.000 -0.000 3/33600 580.0 0.821 1.175 0.957 0.000 0.000 -0.000 3/33600 590.0 0.809 1.158 0.942 0.000 0.000 -0.000 3/33600 600.0 0.797 1.141 0.927 0.000 0.000 -0.000 3/33600 610.0 0.786 1.125 0.913 0.000 0.000 -0.000 3/33600 620.0 0.775 1.109 0.900 0.000 0.000 -0.000 3/33600 630.0 0.765 1.094 0.887 0.000 0.000 -0.000 3/33600 640.0 0.754 1.079 0.874 0.000 0.000 -0.000 3/33600 650.0 0.744 1.064 0.861 0.000 0.000 -0.000 3/33600 660.0 0.735 1.050 0.849 0.000 0.000 -0.000 3/33600 670.0 0.725 1.036 0.838 0.000 0.000 -0.000 3/33600 680.0 0.716 1.023 0.826 0.000 0.000 -0.000 3/33600 690.0 0.707 1.010 0.815 0.000 0.000 -0.000 3/33600 700.0 0.698 0.997 0.804 0.000 0.000 -0.000 3/33600 710.0 0.689 0.984 0.794 0.000 0.000 -0.000 3/33600 720.0 0.681 0.972 0.783 0.000 0.000 -0.000 3/33600 730.0 0.673 0.960 0.773 0.000 0.000 -0.000 3/33600 740.0 0.665 0.949 0.764 0.000 0.000 -0.000 3/33600 750.0 0.657 0.937 0.754 0.000 0.000 -0.000 3/33600 760.0 0.649 0.926 0.745 0.000 0.000 -0.000 3/33600 770.0 0.642 0.916 0.736 0.000 0.000 -0.000 3/33600 780.0 0.634 0.905 0.727 0.000 0.000 -0.000 3/33600 790.0 0.627 0.895 0.718 0.000 0.000 -0.000 3/33600 800.0 0.620 0.885 0.710 0.000 0.000 -0.000 3/33600 810.0 0.613 0.875 0.701 0.000 0.000 -0.000 3/33600 820.0 0.607 0.865 0.693 0.000 0.000 -0.000 3/33600 830.0 0.600 0.855 0.686 0.000 0.000 -0.000 3/33600 840.0 0.594 0.846 0.678 0.000 0.000 -0.000 3/33600 850.0 0.587 0.837 0.670 0.000 0.000 -0.000 3/33600 860.0 0.581 0.828 0.663 0.000 0.000 -0.000 3/33600 870.0 0.575 0.819 0.656 0.000 0.000 -0.000 3/33600 880.0 0.569 0.811 0.649 0.000 0.000 -0.000 3/33600 890.0 0.563 0.803 0.642 0.000 0.000 -0.000 3/33600 900.0 0.558 0.794 0.635 0.000 0.000 -0.000 3/33600 910.0 0.552 0.786 0.628 0.000 0.000 -0.000 3/33600 920.0 0.547 0.778 0.622 0.000 0.000 -0.000 3/33600 930.0 0.541 0.771 0.616 0.000 0.000 -0.000 3/33600 940.0 0.536 0.763 0.609 0.000 0.000 -0.000 3/33600 950.0 0.531 0.756 0.603 0.000 0.000 -0.000 3/33600 960.0 0.526 0.748 0.597 0.000 0.000 -0.000 3/33600 970.0 0.521 0.741 0.591 0.000 0.000 -0.000 3/33600 980.0 0.516 0.734 0.586 0.000 0.000 -0.000 3/33600 990.0 0.511 0.727 0.580 0.000 0.000 -0.000 3/33600 1000.0 0.506 0.721 0.574 0.000 0.000 -0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:01:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|