# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/c6685105-66bf-4c02-953b-28abe32e22cc/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for In4Bi2S9 / P2_1/m (11) / materials id 27195](https://mdr.nims.go.jp/datasets/06c6c136-fc20-40c3-b28c-1e98878d38e9) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 06:06:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/m (11)Number of symmetry operations in supercell: 12------------------------------ primitive cell ------------------------------Lattice vectors: a 10.992155056224139 0.000000000000000 0.000000000000000 b 0.000000000000000 3.927746710000000 0.000000000000000 c -1.301379545180902 0.000000000000000 15.959011503297553Atomic positions (fractional): *1 In 0.50931686934684 0.75000000000000 0.40244010637090 114.818 *2 In 0.73053816342668 0.75000000000000 0.07841169654481 114.818 3 In 0.49068313065316 0.25000000000000 0.59755989362910 114.818 4 In 0.26946183657332 0.25000000000000 0.92158830345519 114.818 *5 In 0.47241645510770 0.25000000000000 0.20506188173261 114.818 *6 In 0.13947699763458 0.75000000000000 0.68284866045413 114.818 7 In 0.86052300236542 0.25000000000000 0.31715133954587 114.818 8 In 0.52758354489230 0.75000000000000 0.79493811826739 114.818 *9 Bi 0.85929301493102 0.25000000000000 0.57357930427864 208.980 *10 Bi 0.09759128498628 0.75000000000000 0.10595414674186 208.980 11 Bi 0.14070698506898 0.75000000000000 0.42642069572136 208.980 12 Bi 0.90240871501372 0.25000000000000 0.89404585325814 208.980 *13 S 0.62929330801516 0.75000000000000 0.54519700595573 32.065 *14 S 0.90290278861932 0.75000000000000 0.68728986514097 32.065 15 S 0.37070669198485 0.25000000000000 0.45480299404427 32.065 *16 S 0.58257070559142 0.25000000000000 0.07810801534326 32.065 *17 S 0.10157679623846 0.25000000000000 0.56484695433291 32.065 *18 S 0.91183650662158 0.25000000000000 0.05785038032950 32.065 *19 S 0.63004811509312 0.25000000000000 0.33610171420293 32.065 *20 S 0.14337791358570 0.25000000000000 0.78393065362508 32.065 *21 S 0.36726160332005 0.75000000000000 0.26026182943670 32.065 22 S 0.41742929440858 0.75000000000000 0.92189198465674 32.065 23 S 0.85662208641430 0.75000000000000 0.21606934637492 32.065 24 S 0.08816349337842 0.75000000000000 0.94214961967050 32.065 *25 S 0.73455246900871 0.75000000000000 0.91768915392652 32.065 26 S 0.63273839667995 0.25000000000000 0.73973817056330 32.065 27 S 0.09709721138068 0.25000000000000 0.31271013485903 32.065 28 S 0.36995188490688 0.75000000000000 0.66389828579707 32.065 29 S 0.89842320376154 0.75000000000000 0.43515304566709 32.065 30 S 0.26544753099128 0.25000000000000 0.08231084607348 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 10.992155056224139 0.000000000000000 0.000000000000000 b 0.000000000000000 3.927746710000000 0.000000000000000 c -1.301379545180902 0.000000000000000 15.959011503297553Atomic positions (fractional): *1 In 0.50931686934684 0.75000000000000 0.40244010637090 114.818 > 1 *2 In 0.73053816342668 0.75000000000000 0.07841169654481 114.818 > 2 3 In 0.49068313065316 0.25000000000000 0.59755989362910 114.818 > 3 4 In 0.26946183657332 0.25000000000000 0.92158830345519 114.818 > 4 *5 In 0.47241645510770 0.25000000000000 0.20506188173261 114.818 > 5 *6 In 0.13947699763458 0.75000000000000 0.68284866045413 114.818 > 6 7 In 0.86052300236542 0.25000000000000 0.31715133954587 114.818 > 7 8 In 0.52758354489230 0.75000000000000 0.79493811826739 114.818 > 8 *9 Bi 0.85929301493102 0.25000000000000 0.57357930427864 208.980 > 9 *10 Bi 0.09759128498628 0.75000000000000 0.10595414674186 208.980 > 10 11 Bi 0.14070698506898 0.75000000000000 0.42642069572136 208.980 > 11 12 Bi 0.90240871501372 0.25000000000000 0.89404585325814 208.980 > 12 *13 S 0.62929330801516 0.75000000000000 0.54519700595573 32.065 > 13 *14 S 0.90290278861932 0.75000000000000 0.68728986514097 32.065 > 14 15 S 0.37070669198485 0.25000000000000 0.45480299404427 32.065 > 15 *16 S 0.58257070559142 0.25000000000000 0.07810801534326 32.065 > 16 *17 S 0.10157679623846 0.25000000000000 0.56484695433291 32.065 > 17 *18 S 0.91183650662158 0.25000000000000 0.05785038032950 32.065 > 18 *19 S 0.63004811509312 0.25000000000000 0.33610171420293 32.065 > 19 *20 S 0.14337791358570 0.25000000000000 0.78393065362508 32.065 > 20 *21 S 0.36726160332005 0.75000000000000 0.26026182943670 32.065 > 21 22 S 0.41742929440858 0.75000000000000 0.92189198465674 32.065 > 22 23 S 0.85662208641430 0.75000000000000 0.21606934637492 32.065 > 23 24 S 0.08816349337842 0.75000000000000 0.94214961967050 32.065 > 24 *25 S 0.73455246900871 0.75000000000000 0.91768915392652 32.065 > 25 26 S 0.63273839667995 0.25000000000000 0.73973817056330 32.065 > 26 27 S 0.09709721138068 0.25000000000000 0.31271013485903 32.065 > 27 28 S 0.36995188490688 0.75000000000000 0.66389828579707 32.065 > 28 29 S 0.89842320376154 0.75000000000000 0.43515304566709 32.065 > 29 30 S 0.26544753099128 0.25000000000000 0.08231084607348 32.065 > 30-------------------------------- super cell --------------------------------Lattice vectors: a 10.992155056224139 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783240129999999 0.000000000000000 c -1.301379545180902 0.000000000000000 15.959011503297553Atomic positions (fractional): *1 In 0.50931686934684 0.25000000000000 0.40244010637090 114.818 > 1 2 In 0.50931686934684 0.58333333333333 0.40244010637090 114.818 > 1 3 In 0.50931686934684 0.91666666666667 0.40244010637090 114.818 > 1 *4 In 0.73053816342668 0.25000000000000 0.07841169654481 114.818 > 2 5 In 0.73053816342668 0.58333333333333 0.07841169654481 114.818 > 2 6 In 0.73053816342668 0.91666666666667 0.07841169654481 114.818 > 2 7 In 0.49068313065316 0.08333333333333 0.59755989362910 114.818 > 3 8 In 0.49068313065316 0.41666666666667 0.59755989362910 114.818 > 3 9 In 0.49068313065316 0.75000000000000 0.59755989362910 114.818 > 3 10 In 0.26946183657332 0.08333333333333 0.92158830345519 114.818 > 4 11 In 0.26946183657332 0.41666666666667 0.92158830345519 114.818 > 4 12 In 0.26946183657332 0.75000000000000 0.92158830345519 114.818 > 4 *13 In 0.47241645510770 0.08333333333333 0.20506188173261 114.818 > 5 14 In 0.47241645510770 0.41666666666667 0.20506188173261 114.818 > 5 15 In 0.47241645510770 0.75000000000000 0.20506188173261 114.818 > 5 *16 In 0.13947699763458 0.25000000000000 0.68284866045413 114.818 > 6 17 In 0.13947699763458 0.58333333333333 0.68284866045413 114.818 > 6 18 In 0.13947699763458 0.91666666666667 0.68284866045413 114.818 > 6 19 In 0.86052300236542 0.08333333333333 0.31715133954587 114.818 > 7 20 In 0.86052300236542 0.41666666666667 0.31715133954587 114.818 > 7 21 In 0.86052300236542 0.75000000000000 0.31715133954587 114.818 > 7 22 In 0.52758354489230 0.25000000000000 0.79493811826739 114.818 > 8 23 In 0.52758354489230 0.58333333333333 0.79493811826739 114.818 > 8 24 In 0.52758354489230 0.91666666666667 0.79493811826739 114.818 > 8 *25 Bi 0.85929301493102 0.08333333333333 0.57357930427864 208.980 > 9 26 Bi 0.85929301493102 0.41666666666667 0.57357930427864 208.980 > 9 27 Bi 0.85929301493102 0.75000000000000 0.57357930427864 208.980 > 9 *28 Bi 0.09759128498628 0.25000000000000 0.10595414674186 208.980 > 10 29 Bi 0.09759128498628 0.58333333333333 0.10595414674186 208.980 > 10 30 Bi 0.09759128498628 0.91666666666667 0.10595414674186 208.980 > 10 31 Bi 0.14070698506898 0.25000000000000 0.42642069572136 208.980 > 11 32 Bi 0.14070698506898 0.58333333333333 0.42642069572136 208.980 > 11 33 Bi 0.14070698506898 0.91666666666667 0.42642069572136 208.980 > 11 34 Bi 0.90240871501372 0.08333333333333 0.89404585325814 208.980 > 12 35 Bi 0.90240871501372 0.41666666666667 0.89404585325814 208.980 > 12 36 Bi 0.90240871501372 0.75000000000000 0.89404585325814 208.980 > 12 *37 S 0.62929330801516 0.25000000000000 0.54519700595573 32.065 > 13 38 S 0.62929330801516 0.58333333333333 0.54519700595573 32.065 > 13 39 S 0.62929330801516 0.91666666666667 0.54519700595573 32.065 > 13 *40 S 0.90290278861932 0.25000000000000 0.68728986514097 32.065 > 14 41 S 0.90290278861932 0.58333333333333 0.68728986514097 32.065 > 14 42 S 0.90290278861932 0.91666666666667 0.68728986514097 32.065 > 14 43 S 0.37070669198485 0.08333333333333 0.45480299404427 32.065 > 15 44 S 0.37070669198485 0.41666666666667 0.45480299404427 32.065 > 15 45 S 0.37070669198485 0.75000000000000 0.45480299404427 32.065 > 15 *46 S 0.58257070559142 0.08333333333333 0.07810801534326 32.065 > 16 47 S 0.58257070559142 0.41666666666667 0.07810801534326 32.065 > 16 48 S 0.58257070559142 0.75000000000000 0.07810801534326 32.065 > 16 *49 S 0.10157679623846 0.08333333333333 0.56484695433291 32.065 > 17 50 S 0.10157679623846 0.41666666666667 0.56484695433291 32.065 > 17 51 S 0.10157679623846 0.75000000000000 0.56484695433291 32.065 > 17 *52 S 0.91183650662158 0.08333333333333 0.05785038032950 32.065 > 18 53 S 0.91183650662158 0.41666666666667 0.05785038032950 32.065 > 18 54 S 0.91183650662158 0.75000000000000 0.05785038032950 32.065 > 18 *55 S 0.63004811509312 0.08333333333333 0.33610171420293 32.065 > 19 56 S 0.63004811509312 0.41666666666667 0.33610171420293 32.065 > 19 57 S 0.63004811509312 0.75000000000000 0.33610171420293 32.065 > 19 *58 S 0.14337791358570 0.08333333333333 0.78393065362508 32.065 > 20 59 S 0.14337791358570 0.41666666666667 0.78393065362508 32.065 > 20 60 S 0.14337791358570 0.75000000000000 0.78393065362508 32.065 > 20 *61 S 0.36726160332005 0.25000000000000 0.26026182943670 32.065 > 21 62 S 0.36726160332005 0.58333333333333 0.26026182943670 32.065 > 21 63 S 0.36726160332005 0.91666666666667 0.26026182943670 32.065 > 21 64 S 0.41742929440858 0.25000000000000 0.92189198465674 32.065 > 22 65 S 0.41742929440858 0.58333333333333 0.92189198465674 32.065 > 22 66 S 0.41742929440858 0.91666666666667 0.92189198465674 32.065 > 22 67 S 0.85662208641430 0.25000000000000 0.21606934637492 32.065 > 23 68 S 0.85662208641430 0.58333333333333 0.21606934637492 32.065 > 23 69 S 0.85662208641430 0.91666666666667 0.21606934637492 32.065 > 23 70 S 0.08816349337842 0.25000000000000 0.94214961967050 32.065 > 24 71 S 0.08816349337842 0.58333333333333 0.94214961967050 32.065 > 24 72 S 0.08816349337842 0.91666666666667 0.94214961967050 32.065 > 24 *73 S 0.73455246900871 0.25000000000000 0.91768915392652 32.065 > 25 74 S 0.73455246900871 0.58333333333333 0.91768915392652 32.065 > 25 75 S 0.73455246900871 0.91666666666667 0.91768915392652 32.065 > 25 76 S 0.63273839667995 0.08333333333333 0.73973817056330 32.065 > 26 77 S 0.63273839667995 0.41666666666667 0.73973817056330 32.065 > 26 78 S 0.63273839667995 0.75000000000000 0.73973817056330 32.065 > 26 79 S 0.09709721138068 0.08333333333333 0.31271013485903 32.065 > 27 80 S 0.09709721138068 0.41666666666667 0.31271013485903 32.065 > 27 81 S 0.09709721138068 0.75000000000000 0.31271013485903 32.065 > 27 82 S 0.36995188490688 0.25000000000000 0.66389828579707 32.065 > 28 83 S 0.36995188490688 0.58333333333333 0.66389828579707 32.065 > 28 84 S 0.36995188490688 0.91666666666667 0.66389828579707 32.065 > 28 85 S 0.89842320376154 0.25000000000000 0.43515304566709 32.065 > 29 86 S 0.89842320376154 0.58333333333333 0.43515304566709 32.065 > 29 87 S 0.89842320376154 0.91666666666667 0.43515304566709 32.065 > 29 88 S 0.26544753099128 0.08333333333333 0.08231084607348 32.065 > 30 89 S 0.26544753099128 0.41666666666667 0.08231084607348 32.065 > 30 90 S 0.26544753099128 0.75000000000000 0.08231084607348 32.065 > 30----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.8084966 0.0000000 0.0125079 0.0000000 11.1574493 0.0000000 0.0125171 0.0000000 9.0472213-------------------------- Born effective charges -------------------------- 1 In 3.3416518 0.0000000 -0.3382593 0.0000000 4.2375835 0.0000000 0.0462833 0.0000000 3.7265607 2 In 3.7972609 0.0000000 -0.3466044 0.0000000 4.0910972 0.0000000 -0.5493278 0.0000000 3.4526491 3 In 3.3416518 0.0000000 -0.3382593 0.0000000 4.2375835 0.0000000 0.0462833 0.0000000 3.7265607 4 In 3.7972609 0.0000000 -0.3466044 0.0000000 4.0910972 0.0000000 -0.5493278 0.0000000 3.4526491 5 In 3.7309795 0.0000000 0.5093686 0.0000000 2.7872746 0.0000000 0.7390187 0.0000000 3.6348291 6 In 3.7584301 0.0000000 0.3230312 0.0000000 4.4818649 0.0000000 0.8323551 0.0000000 3.8638247 7 In 3.7584301 0.0000000 0.3230312 0.0000000 4.4818649 0.0000000 0.8323551 0.0000000 3.8638247 8 In 3.7309795 0.0000000 0.5093686 0.0000000 2.7872746 0.0000000 0.7390187 0.0000000 3.6348291 9 Bi 4.4854277 0.0000000 -0.0902036 0.0000000 6.5295275 0.0000000 -0.2888413 0.0000000 3.0775021 10 Bi 4.1455723 0.0000000 0.1267592 0.0000000 5.8882456 0.0000000 -0.2628900 0.0000000 3.7184946 11 Bi 4.4854277 0.0000000 -0.0902036 0.0000000 6.5295275 0.0000000 -0.2888413 0.0000000 3.0775021 12 Bi 4.1455723 0.0000000 0.1267592 0.0000000 5.8882456 0.0000000 -0.2628900 0.0000000 3.7184946 13 S -3.4737809 0.0000000 -0.1438942 0.0000000 -3.2913962 0.0000000 -0.0170392 0.0000000 -2.1981962 14 S -1.3813758 0.0000000 -0.1802544 0.0000000 -4.1721708 0.0000000 -0.3999237 0.0000000 -2.4753090 15 S -3.4737809 0.0000000 -0.1438942 0.0000000 -3.2913962 0.0000000 -0.0170392 0.0000000 -2.1981962 16 S -2.7177585 0.0000000 0.9438825 0.0000000 -2.1748893 0.0000000 0.5141320 0.0000000 -1.7023051 17 S -2.7309486 0.0000000 -0.0366175 0.0000000 -3.8328747 0.0000000 0.1135094 0.0000000 -2.7695887 18 S -2.8845394 0.0000000 -0.3678142 0.0000000 -3.5567799 0.0000000 0.2536394 0.0000000 -2.3468302 19 S -3.2705495 0.0000000 0.0331770 0.0000000 -2.2012003 0.0000000 -0.1176529 0.0000000 -2.2421553 20 S -1.9778000 0.0000000 0.1490371 0.0000000 -2.5521588 0.0000000 -0.1417813 0.0000000 -3.3254574 21 S -1.8224535 0.0000000 -0.3875453 0.0000000 -2.5969660 0.0000000 -0.4842199 0.0000000 -2.4408237 22 S -2.7177585 0.0000000 0.9438825 0.0000000 -2.1748893 0.0000000 0.5141320 0.0000000 -1.7023051 23 S -1.9778000 0.0000000 0.1490371 0.0000000 -2.5521588 0.0000000 -0.1417813 0.0000000 -3.3254574 24 S -2.8845394 0.0000000 -0.3678142 0.0000000 -3.5567799 0.0000000 0.2536394 0.0000000 -2.3468302 25 S -3.0001162 0.0000000 -0.1940627 0.0000000 -3.6371573 0.0000000 -0.2372620 0.0000000 -1.9731947 26 S -1.8224535 0.0000000 -0.3875453 0.0000000 -2.5969660 0.0000000 -0.4842199 0.0000000 -2.4408237 27 S -1.3813758 0.0000000 -0.1802544 0.0000000 -4.1721708 0.0000000 -0.3999237 0.0000000 -2.4753090 28 S -3.2705495 0.0000000 0.0331770 0.0000000 -2.2012003 0.0000000 -0.1176529 0.0000000 -2.2421553 29 S -2.7309486 0.0000000 -0.0366175 0.0000000 -3.8328747 0.0000000 0.1135094 0.0000000 -2.7695887 30 S -3.0001162 0.0000000 -0.1940627 0.0000000 -3.6371573 0.0000000 -0.2372620 0.0000000 -1.9731947----------------------------------------------------------------------------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: 270/270Permutation basis: 12375/12375Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3240Number of blocks in projector: 3240Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 900Use submatrix version of eigh solver.(1) Block: 500 / 900 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found.(1) 471 eigenvectors found.(1) Block: 900 / 900(1) 371 eigenvectors found.(1) Complementary block size: 58(1) Compute compressed projector.(1) Use standard solver.(1) 29 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 480Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 480Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 480Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 450Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 450Use standard eigh solver.Tree of FC basis block matrices:- (3240, 3166), data: False|-- (450, 450), data: True|-- (450, 450), data: True|-- (480, 465), data: True|-- (480, 465), data: True|-- (480, 465), data: True|-- (900, 871), data: False |-- (900, 29), data: (900, 58) @ (58, 29) |-- (400, 371), data: True |-- (500, 471), data: False |-- (500, 29), data: (500, 58) @ (58, 29) |-- (250, 221), data: True |-- (250, 221), data: True-----Solver_atoms: 1 -- 90 / 90Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 960 - Time: 0.696Solver_block: 200 / 960 - Time: 0.588Solver_block: 300 / 960 - Time: 0.588Solver_block: 400 / 960 - Time: 0.584Solver_block: 500 / 960 - Time: 0.589Solver_block: 600 / 960 - Time: 0.585Solver_block: 700 / 960 - Time: 0.581Solver_block: 800 / 960 - Time: 0.590Solver_block: 900 / 960 - Time: 0.587Solver_block: 960 / 960 - Time: 0.415Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.937--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 270/270Permutation basis: 12375/12375Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3240Number of blocks in projector: 3240Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 900Use submatrix version of eigh solver.(1) Block: 500 / 900 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found.(1) 471 eigenvectors found.(1) Block: 900 / 900(1) 371 eigenvectors found.(1) Complementary block size: 58(1) Compute compressed projector.(1) Use standard solver.(1) 29 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 480Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 480Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 480Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 450Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 450Use standard eigh solver.Tree of FC basis block matrices:- (3240, 3166), data: False|-- (450, 450), data: True|-- (450, 450), data: True|-- (480, 465), data: True|-- (480, 465), data: True|-- (480, 465), data: True|-- (900, 871), data: False |-- (900, 29), data: (900, 58) @ (58, 29) |-- (400, 371), data: True |-- (500, 471), data: False |-- (500, 29), data: (500, 58) @ (58, 29) |-- (250, 221), data: True |-- (250, 221), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 06:06:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 06:06:42]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/m (11)------------------------------ primitive cell ------------------------------Lattice vectors: a 10.992155056224139 0.000000000000000 0.000000000000000 b 0.000000000000000 3.927746710000000 0.000000000000000 c -1.301379545180902 0.000000000000000 15.959011503297553Atomic positions (fractional): 1 In 0.50931686934684 0.75000000000000 0.40244010637090 114.818 2 In 0.73053816342668 0.75000000000000 0.07841169654481 114.818 3 In 0.49068313065316 0.25000000000000 0.59755989362910 114.818 4 In 0.26946183657332 0.25000000000000 0.92158830345519 114.818 5 In 0.47241645510770 0.25000000000000 0.20506188173261 114.818 6 In 0.13947699763458 0.75000000000000 0.68284866045413 114.818 7 In 0.86052300236542 0.25000000000000 0.31715133954587 114.818 8 In 0.52758354489230 0.75000000000000 0.79493811826739 114.818 9 Bi 0.85929301493102 0.25000000000000 0.57357930427864 208.980 10 Bi 0.09759128498628 0.75000000000000 0.10595414674186 208.980 11 Bi 0.14070698506898 0.75000000000000 0.42642069572136 208.980 12 Bi 0.90240871501372 0.25000000000000 0.89404585325814 208.980 13 S 0.62929330801516 0.75000000000000 0.54519700595573 32.065 14 S 0.90290278861932 0.75000000000000 0.68728986514097 32.065 15 S 0.37070669198485 0.25000000000000 0.45480299404427 32.065 16 S 0.58257070559142 0.25000000000000 0.07810801534326 32.065 17 S 0.10157679623846 0.25000000000000 0.56484695433291 32.065 18 S 0.91183650662158 0.25000000000000 0.05785038032950 32.065 19 S 0.63004811509312 0.25000000000000 0.33610171420293 32.065 20 S 0.14337791358570 0.25000000000000 0.78393065362508 32.065 21 S 0.36726160332005 0.75000000000000 0.26026182943670 32.065 22 S 0.41742929440858 0.75000000000000 0.92189198465674 32.065 23 S 0.85662208641430 0.75000000000000 0.21606934637492 32.065 24 S 0.08816349337842 0.75000000000000 0.94214961967050 32.065 25 S 0.73455246900871 0.75000000000000 0.91768915392652 32.065 26 S 0.63273839667995 0.25000000000000 0.73973817056330 32.065 27 S 0.09709721138068 0.25000000000000 0.31271013485903 32.065 28 S 0.36995188490688 0.75000000000000 0.66389828579707 32.065 29 S 0.89842320376154 0.75000000000000 0.43515304566709 32.065 30 S 0.26544753099128 0.25000000000000 0.08231084607348 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 10.992155056224139 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783240129999999 0.000000000000000 c -1.301379545180902 0.000000000000000 15.959011503297553Atomic positions (fractional): 1 In 0.50931686934684 0.25000000000000 0.40244010637090 114.818 > 1 2 In 0.50931686934684 0.58333333333333 0.40244010637090 114.818 > 1 3 In 0.50931686934684 0.91666666666667 0.40244010637090 114.818 > 1 4 In 0.73053816342668 0.25000000000000 0.07841169654481 114.818 > 4 5 In 0.73053816342668 0.58333333333333 0.07841169654481 114.818 > 4 6 In 0.73053816342668 0.91666666666667 0.07841169654481 114.818 > 4 7 In 0.49068313065316 0.08333333333333 0.59755989362910 114.818 > 7 8 In 0.49068313065316 0.41666666666667 0.59755989362910 114.818 > 7 9 In 0.49068313065316 0.75000000000000 0.59755989362910 114.818 > 7 10 In 0.26946183657332 0.08333333333333 0.92158830345519 114.818 > 10 11 In 0.26946183657332 0.41666666666667 0.92158830345519 114.818 > 10 12 In 0.26946183657332 0.75000000000000 0.92158830345519 114.818 > 10 13 In 0.47241645510770 0.08333333333333 0.20506188173261 114.818 > 13 14 In 0.47241645510770 0.41666666666667 0.20506188173261 114.818 > 13 15 In 0.47241645510770 0.75000000000000 0.20506188173261 114.818 > 13 16 In 0.13947699763458 0.25000000000000 0.68284866045413 114.818 > 16 17 In 0.13947699763458 0.58333333333333 0.68284866045413 114.818 > 16 18 In 0.13947699763458 0.91666666666667 0.68284866045413 114.818 > 16 19 In 0.86052300236542 0.08333333333333 0.31715133954587 114.818 > 19 20 In 0.86052300236542 0.41666666666667 0.31715133954587 114.818 > 19 21 In 0.86052300236542 0.75000000000000 0.31715133954587 114.818 > 19 22 In 0.52758354489230 0.25000000000000 0.79493811826739 114.818 > 22 23 In 0.52758354489230 0.58333333333333 0.79493811826739 114.818 > 22 24 In 0.52758354489230 0.91666666666667 0.79493811826739 114.818 > 22 25 Bi 0.85929301493102 0.08333333333333 0.57357930427864 208.980 > 25 26 Bi 0.85929301493102 0.41666666666667 0.57357930427864 208.980 > 25 27 Bi 0.85929301493102 0.75000000000000 0.57357930427864 208.980 > 25 28 Bi 0.09759128498628 0.25000000000000 0.10595414674186 208.980 > 28 29 Bi 0.09759128498628 0.58333333333333 0.10595414674186 208.980 > 28 30 Bi 0.09759128498628 0.91666666666667 0.10595414674186 208.980 > 28 31 Bi 0.14070698506898 0.25000000000000 0.42642069572136 208.980 > 31 32 Bi 0.14070698506898 0.58333333333333 0.42642069572136 208.980 > 31 33 Bi 0.14070698506898 0.91666666666667 0.42642069572136 208.980 > 31 34 Bi 0.90240871501372 0.08333333333333 0.89404585325814 208.980 > 34 35 Bi 0.90240871501372 0.41666666666667 0.89404585325814 208.980 > 34 36 Bi 0.90240871501372 0.75000000000000 0.89404585325814 208.980 > 34 37 S 0.62929330801516 0.25000000000000 0.54519700595573 32.065 > 37 38 S 0.62929330801516 0.58333333333333 0.54519700595573 32.065 > 37 39 S 0.62929330801516 0.91666666666667 0.54519700595573 32.065 > 37 40 S 0.90290278861932 0.25000000000000 0.68728986514097 32.065 > 40 41 S 0.90290278861932 0.58333333333333 0.68728986514097 32.065 > 40 42 S 0.90290278861932 0.91666666666667 0.68728986514097 32.065 > 40 43 S 0.37070669198485 0.08333333333333 0.45480299404427 32.065 > 43 44 S 0.37070669198485 0.41666666666667 0.45480299404427 32.065 > 43 45 S 0.37070669198485 0.75000000000000 0.45480299404427 32.065 > 43 46 S 0.58257070559142 0.08333333333333 0.07810801534326 32.065 > 46 47 S 0.58257070559142 0.41666666666667 0.07810801534326 32.065 > 46 48 S 0.58257070559142 0.75000000000000 0.07810801534326 32.065 > 46 49 S 0.10157679623846 0.08333333333333 0.56484695433291 32.065 > 49 50 S 0.10157679623846 0.41666666666667 0.56484695433291 32.065 > 49 51 S 0.10157679623846 0.75000000000000 0.56484695433291 32.065 > 49 52 S 0.91183650662158 0.08333333333333 0.05785038032950 32.065 > 52 53 S 0.91183650662158 0.41666666666667 0.05785038032950 32.065 > 52 54 S 0.91183650662158 0.75000000000000 0.05785038032950 32.065 > 52 55 S 0.63004811509312 0.08333333333333 0.33610171420293 32.065 > 55 56 S 0.63004811509312 0.41666666666667 0.33610171420293 32.065 > 55 57 S 0.63004811509312 0.75000000000000 0.33610171420293 32.065 > 55 58 S 0.14337791358570 0.08333333333333 0.78393065362508 32.065 > 58 59 S 0.14337791358570 0.41666666666667 0.78393065362508 32.065 > 58 60 S 0.14337791358570 0.75000000000000 0.78393065362508 32.065 > 58 61 S 0.36726160332005 0.25000000000000 0.26026182943670 32.065 > 61 62 S 0.36726160332005 0.58333333333333 0.26026182943670 32.065 > 61 63 S 0.36726160332005 0.91666666666667 0.26026182943670 32.065 > 61 64 S 0.41742929440858 0.25000000000000 0.92189198465674 32.065 > 64 65 S 0.41742929440858 0.58333333333333 0.92189198465674 32.065 > 64 66 S 0.41742929440858 0.91666666666667 0.92189198465674 32.065 > 64 67 S 0.85662208641430 0.25000000000000 0.21606934637492 32.065 > 67 68 S 0.85662208641430 0.58333333333333 0.21606934637492 32.065 > 67 69 S 0.85662208641430 0.91666666666667 0.21606934637492 32.065 > 67 70 S 0.08816349337842 0.25000000000000 0.94214961967050 32.065 > 70 71 S 0.08816349337842 0.58333333333333 0.94214961967050 32.065 > 70 72 S 0.08816349337842 0.91666666666667 0.94214961967050 32.065 > 70 73 S 0.73455246900871 0.25000000000000 0.91768915392652 32.065 > 73 74 S 0.73455246900871 0.58333333333333 0.91768915392652 32.065 > 73 75 S 0.73455246900871 0.91666666666667 0.91768915392652 32.065 > 73 76 S 0.63273839667995 0.08333333333333 0.73973817056330 32.065 > 76 77 S 0.63273839667995 0.41666666666667 0.73973817056330 32.065 > 76 78 S 0.63273839667995 0.75000000000000 0.73973817056330 32.065 > 76 79 S 0.09709721138068 0.08333333333333 0.31271013485903 32.065 > 79 80 S 0.09709721138068 0.41666666666667 0.31271013485903 32.065 > 79 81 S 0.09709721138068 0.75000000000000 0.31271013485903 32.065 > 79 82 S 0.36995188490688 0.25000000000000 0.66389828579707 32.065 > 82 83 S 0.36995188490688 0.58333333333333 0.66389828579707 32.065 > 82 84 S 0.36995188490688 0.91666666666667 0.66389828579707 32.065 > 82 85 S 0.89842320376154 0.25000000000000 0.43515304566709 32.065 > 85 86 S 0.89842320376154 0.58333333333333 0.43515304566709 32.065 > 85 87 S 0.89842320376154 0.91666666666667 0.43515304566709 32.065 > 85 88 S 0.26544753099128 0.08333333333333 0.08231084607348 32.065 > 88 89 S 0.26544753099128 0.41666666666667 0.08231084607348 32.065 > 88 90 S 0.26544753099128 0.75000000000000 0.08231084607348 32.065 > 88----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.8084966 0.0000000 0.0125079 0.0000000 11.1574493 0.0000000 0.0125171 0.0000000 9.0472213-------------------------- Born effective charges -------------------------- 1 In 3.3416518 0.0000000 -0.3382593 0.0000000 4.2375835 0.0000000 0.0462833 0.0000000 3.7265607 2 In 3.7972609 0.0000000 -0.3466044 0.0000000 4.0910972 0.0000000 -0.5493278 0.0000000 3.4526491 3 In 3.3416518 0.0000000 -0.3382593 0.0000000 4.2375835 0.0000000 0.0462833 0.0000000 3.7265607 4 In 3.7972609 0.0000000 -0.3466044 0.0000000 4.0910972 0.0000000 -0.5493278 0.0000000 3.4526491 5 In 3.7309795 0.0000000 0.5093686 0.0000000 2.7872746 0.0000000 0.7390187 0.0000000 3.6348291 6 In 3.7584301 0.0000000 0.3230312 0.0000000 4.4818649 0.0000000 0.8323551 0.0000000 3.8638247 7 In 3.7584301 0.0000000 0.3230312 0.0000000 4.4818649 0.0000000 0.8323551 0.0000000 3.8638247 8 In 3.7309795 0.0000000 0.5093686 0.0000000 2.7872746 0.0000000 0.7390187 0.0000000 3.6348291 9 Bi 4.4854277 0.0000000 -0.0902036 0.0000000 6.5295275 0.0000000 -0.2888413 0.0000000 3.0775021 10 Bi 4.1455723 0.0000000 0.1267592 0.0000000 5.8882456 0.0000000 -0.2628900 0.0000000 3.7184946 11 Bi 4.4854277 0.0000000 -0.0902036 0.0000000 6.5295275 0.0000000 -0.2888413 0.0000000 3.0775021 12 Bi 4.1455723 0.0000000 0.1267592 0.0000000 5.8882456 0.0000000 -0.2628900 0.0000000 3.7184946 13 S -3.4737809 0.0000000 -0.1438942 0.0000000 -3.2913962 0.0000000 -0.0170392 0.0000000 -2.1981962 14 S -1.3813758 0.0000000 -0.1802544 0.0000000 -4.1721708 0.0000000 -0.3999237 0.0000000 -2.4753090 15 S -3.4737809 0.0000000 -0.1438942 0.0000000 -3.2913962 0.0000000 -0.0170392 0.0000000 -2.1981962 16 S -2.7177585 0.0000000 0.9438825 0.0000000 -2.1748893 0.0000000 0.5141320 0.0000000 -1.7023051 17 S -2.7309486 0.0000000 -0.0366175 0.0000000 -3.8328747 0.0000000 0.1135094 0.0000000 -2.7695887 18 S -2.8845394 0.0000000 -0.3678142 0.0000000 -3.5567799 0.0000000 0.2536394 0.0000000 -2.3468302 19 S -3.2705495 0.0000000 0.0331770 0.0000000 -2.2012003 0.0000000 -0.1176529 0.0000000 -2.2421553 20 S -1.9778000 0.0000000 0.1490371 0.0000000 -2.5521588 0.0000000 -0.1417813 0.0000000 -3.3254574 21 S -1.8224535 0.0000000 -0.3875453 0.0000000 -2.5969660 0.0000000 -0.4842199 0.0000000 -2.4408237 22 S -2.7177585 0.0000000 0.9438825 0.0000000 -2.1748893 0.0000000 0.5141320 0.0000000 -1.7023051 23 S -1.9778000 0.0000000 0.1490371 0.0000000 -2.5521588 0.0000000 -0.1417813 0.0000000 -3.3254574 24 S -2.8845394 0.0000000 -0.3678142 0.0000000 -3.5567799 0.0000000 0.2536394 0.0000000 -2.3468302 25 S -3.0001162 0.0000000 -0.1940627 0.0000000 -3.6371573 0.0000000 -0.2372620 0.0000000 -1.9731947 26 S -1.8224535 0.0000000 -0.3875453 0.0000000 -2.5969660 0.0000000 -0.4842199 0.0000000 -2.4408237 27 S -1.3813758 0.0000000 -0.1802544 0.0000000 -4.1721708 0.0000000 -0.3999237 0.0000000 -2.4753090 28 S -3.2705495 0.0000000 0.0331770 0.0000000 -2.2012003 0.0000000 -0.1176529 0.0000000 -2.2421553 29 S -2.7309486 0.0000000 -0.0366175 0.0000000 -3.8328747 0.0000000 0.1135094 0.0000000 -2.7695887 30 S -3.0001162 0.0000000 -0.1940627 0.0000000 -3.6371573 0.0000000 -0.2372620 0.0000000 -1.9731947----------------------------------------------------------------------------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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 4, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 13, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 16, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 25, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 28, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 37, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 40, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 46, 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] [-0.0008 0.0000 0.0100] [ 0.0008 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 52, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 58, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 61, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 06:07:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 06:07:16]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/m (11)------------------------------ primitive cell ------------------------------Lattice vectors: a 10.992155056224139 0.000000000000000 0.000000000000000 b 0.000000000000000 3.927746710000000 0.000000000000000 c -1.301379545180902 0.000000000000000 15.959011503297553Atomic positions (fractional): 1 In 0.50931686934684 0.75000000000000 0.40244010637090 114.818 2 In 0.73053816342668 0.75000000000000 0.07841169654481 114.818 3 In 0.49068313065316 0.25000000000000 0.59755989362910 114.818 4 In 0.26946183657332 0.25000000000000 0.92158830345519 114.818 5 In 0.47241645510770 0.25000000000000 0.20506188173261 114.818 6 In 0.13947699763458 0.75000000000000 0.68284866045413 114.818 7 In 0.86052300236542 0.25000000000000 0.31715133954587 114.818 8 In 0.52758354489230 0.75000000000000 0.79493811826739 114.818 9 Bi 0.85929301493102 0.25000000000000 0.57357930427864 208.980 10 Bi 0.09759128498628 0.75000000000000 0.10595414674186 208.980 11 Bi 0.14070698506898 0.75000000000000 0.42642069572136 208.980 12 Bi 0.90240871501372 0.25000000000000 0.89404585325814 208.980 13 S 0.62929330801516 0.75000000000000 0.54519700595573 32.065 14 S 0.90290278861932 0.75000000000000 0.68728986514097 32.065 15 S 0.37070669198485 0.25000000000000 0.45480299404427 32.065 16 S 0.58257070559142 0.25000000000000 0.07810801534326 32.065 17 S 0.10157679623846 0.25000000000000 0.56484695433291 32.065 18 S 0.91183650662158 0.25000000000000 0.05785038032950 32.065 19 S 0.63004811509312 0.25000000000000 0.33610171420293 32.065 20 S 0.14337791358570 0.25000000000000 0.78393065362508 32.065 21 S 0.36726160332005 0.75000000000000 0.26026182943670 32.065 22 S 0.41742929440858 0.75000000000000 0.92189198465674 32.065 23 S 0.85662208641430 0.75000000000000 0.21606934637492 32.065 24 S 0.08816349337842 0.75000000000000 0.94214961967050 32.065 25 S 0.73455246900871 0.75000000000000 0.91768915392652 32.065 26 S 0.63273839667995 0.25000000000000 0.73973817056330 32.065 27 S 0.09709721138068 0.25000000000000 0.31271013485903 32.065 28 S 0.36995188490688 0.75000000000000 0.66389828579707 32.065 29 S 0.89842320376154 0.75000000000000 0.43515304566709 32.065 30 S 0.26544753099128 0.25000000000000 0.08231084607348 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 10.992155056224139 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783240129999999 0.000000000000000 c -1.301379545180902 0.000000000000000 15.959011503297553Atomic positions (fractional): 1 In 0.50931686934684 0.25000000000000 0.40244010637090 114.818 > 1 2 In 0.50931686934684 0.58333333333333 0.40244010637090 114.818 > 1 3 In 0.50931686934684 0.91666666666667 0.40244010637090 114.818 > 1 4 In 0.73053816342668 0.25000000000000 0.07841169654481 114.818 > 4 5 In 0.73053816342668 0.58333333333333 0.07841169654481 114.818 > 4 6 In 0.73053816342668 0.91666666666667 0.07841169654481 114.818 > 4 7 In 0.49068313065316 0.08333333333333 0.59755989362910 114.818 > 7 8 In 0.49068313065316 0.41666666666667 0.59755989362910 114.818 > 7 9 In 0.49068313065316 0.75000000000000 0.59755989362910 114.818 > 7 10 In 0.26946183657332 0.08333333333333 0.92158830345519 114.818 > 10 11 In 0.26946183657332 0.41666666666667 0.92158830345519 114.818 > 10 12 In 0.26946183657332 0.75000000000000 0.92158830345519 114.818 > 10 13 In 0.47241645510770 0.08333333333333 0.20506188173261 114.818 > 13 14 In 0.47241645510770 0.41666666666667 0.20506188173261 114.818 > 13 15 In 0.47241645510770 0.75000000000000 0.20506188173261 114.818 > 13 16 In 0.13947699763458 0.25000000000000 0.68284866045413 114.818 > 16 17 In 0.13947699763458 0.58333333333333 0.68284866045413 114.818 > 16 18 In 0.13947699763458 0.91666666666667 0.68284866045413 114.818 > 16 19 In 0.86052300236542 0.08333333333333 0.31715133954587 114.818 > 19 20 In 0.86052300236542 0.41666666666667 0.31715133954587 114.818 > 19 21 In 0.86052300236542 0.75000000000000 0.31715133954587 114.818 > 19 22 In 0.52758354489230 0.25000000000000 0.79493811826739 114.818 > 22 23 In 0.52758354489230 0.58333333333333 0.79493811826739 114.818 > 22 24 In 0.52758354489230 0.91666666666667 0.79493811826739 114.818 > 22 25 Bi 0.85929301493102 0.08333333333333 0.57357930427864 208.980 > 25 26 Bi 0.85929301493102 0.41666666666667 0.57357930427864 208.980 > 25 27 Bi 0.85929301493102 0.75000000000000 0.57357930427864 208.980 > 25 28 Bi 0.09759128498628 0.25000000000000 0.10595414674186 208.980 > 28 29 Bi 0.09759128498628 0.58333333333333 0.10595414674186 208.980 > 28 30 Bi 0.09759128498628 0.91666666666667 0.10595414674186 208.980 > 28 31 Bi 0.14070698506898 0.25000000000000 0.42642069572136 208.980 > 31 32 Bi 0.14070698506898 0.58333333333333 0.42642069572136 208.980 > 31 33 Bi 0.14070698506898 0.91666666666667 0.42642069572136 208.980 > 31 34 Bi 0.90240871501372 0.08333333333333 0.89404585325814 208.980 > 34 35 Bi 0.90240871501372 0.41666666666667 0.89404585325814 208.980 > 34 36 Bi 0.90240871501372 0.75000000000000 0.89404585325814 208.980 > 34 37 S 0.62929330801516 0.25000000000000 0.54519700595573 32.065 > 37 38 S 0.62929330801516 0.58333333333333 0.54519700595573 32.065 > 37 39 S 0.62929330801516 0.91666666666667 0.54519700595573 32.065 > 37 40 S 0.90290278861932 0.25000000000000 0.68728986514097 32.065 > 40 41 S 0.90290278861932 0.58333333333333 0.68728986514097 32.065 > 40 42 S 0.90290278861932 0.91666666666667 0.68728986514097 32.065 > 40 43 S 0.37070669198485 0.08333333333333 0.45480299404427 32.065 > 43 44 S 0.37070669198485 0.41666666666667 0.45480299404427 32.065 > 43 45 S 0.37070669198485 0.75000000000000 0.45480299404427 32.065 > 43 46 S 0.58257070559142 0.08333333333333 0.07810801534326 32.065 > 46 47 S 0.58257070559142 0.41666666666667 0.07810801534326 32.065 > 46 48 S 0.58257070559142 0.75000000000000 0.07810801534326 32.065 > 46 49 S 0.10157679623846 0.08333333333333 0.56484695433291 32.065 > 49 50 S 0.10157679623846 0.41666666666667 0.56484695433291 32.065 > 49 51 S 0.10157679623846 0.75000000000000 0.56484695433291 32.065 > 49 52 S 0.91183650662158 0.08333333333333 0.05785038032950 32.065 > 52 53 S 0.91183650662158 0.41666666666667 0.05785038032950 32.065 > 52 54 S 0.91183650662158 0.75000000000000 0.05785038032950 32.065 > 52 55 S 0.63004811509312 0.08333333333333 0.33610171420293 32.065 > 55 56 S 0.63004811509312 0.41666666666667 0.33610171420293 32.065 > 55 57 S 0.63004811509312 0.75000000000000 0.33610171420293 32.065 > 55 58 S 0.14337791358570 0.08333333333333 0.78393065362508 32.065 > 58 59 S 0.14337791358570 0.41666666666667 0.78393065362508 32.065 > 58 60 S 0.14337791358570 0.75000000000000 0.78393065362508 32.065 > 58 61 S 0.36726160332005 0.25000000000000 0.26026182943670 32.065 > 61 62 S 0.36726160332005 0.58333333333333 0.26026182943670 32.065 > 61 63 S 0.36726160332005 0.91666666666667 0.26026182943670 32.065 > 61 64 S 0.41742929440858 0.25000000000000 0.92189198465674 32.065 > 64 65 S 0.41742929440858 0.58333333333333 0.92189198465674 32.065 > 64 66 S 0.41742929440858 0.91666666666667 0.92189198465674 32.065 > 64 67 S 0.85662208641430 0.25000000000000 0.21606934637492 32.065 > 67 68 S 0.85662208641430 0.58333333333333 0.21606934637492 32.065 > 67 69 S 0.85662208641430 0.91666666666667 0.21606934637492 32.065 > 67 70 S 0.08816349337842 0.25000000000000 0.94214961967050 32.065 > 70 71 S 0.08816349337842 0.58333333333333 0.94214961967050 32.065 > 70 72 S 0.08816349337842 0.91666666666667 0.94214961967050 32.065 > 70 73 S 0.73455246900871 0.25000000000000 0.91768915392652 32.065 > 73 74 S 0.73455246900871 0.58333333333333 0.91768915392652 32.065 > 73 75 S 0.73455246900871 0.91666666666667 0.91768915392652 32.065 > 73 76 S 0.63273839667995 0.08333333333333 0.73973817056330 32.065 > 76 77 S 0.63273839667995 0.41666666666667 0.73973817056330 32.065 > 76 78 S 0.63273839667995 0.75000000000000 0.73973817056330 32.065 > 76 79 S 0.09709721138068 0.08333333333333 0.31271013485903 32.065 > 79 80 S 0.09709721138068 0.41666666666667 0.31271013485903 32.065 > 79 81 S 0.09709721138068 0.75000000000000 0.31271013485903 32.065 > 79 82 S 0.36995188490688 0.25000000000000 0.66389828579707 32.065 > 82 83 S 0.36995188490688 0.58333333333333 0.66389828579707 32.065 > 82 84 S 0.36995188490688 0.91666666666667 0.66389828579707 32.065 > 82 85 S 0.89842320376154 0.25000000000000 0.43515304566709 32.065 > 85 86 S 0.89842320376154 0.58333333333333 0.43515304566709 32.065 > 85 87 S 0.89842320376154 0.91666666666667 0.43515304566709 32.065 > 85 88 S 0.26544753099128 0.08333333333333 0.08231084607348 32.065 > 88 89 S 0.26544753099128 0.41666666666667 0.08231084607348 32.065 > 88 90 S 0.26544753099128 0.75000000000000 0.08231084607348 32.065 > 88----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 9.8084966 0.0000000 0.0125079 0.0000000 11.1574493 0.0000000 0.0125171 0.0000000 9.0472213-------------------------- Born effective charges -------------------------- 1 In 3.3416518 0.0000000 -0.3382593 0.0000000 4.2375835 0.0000000 0.0462833 0.0000000 3.7265607 2 In 3.7972609 0.0000000 -0.3466044 0.0000000 4.0910972 0.0000000 -0.5493278 0.0000000 3.4526491 3 In 3.3416518 0.0000000 -0.3382593 0.0000000 4.2375835 0.0000000 0.0462833 0.0000000 3.7265607 4 In 3.7972609 0.0000000 -0.3466044 0.0000000 4.0910972 0.0000000 -0.5493278 0.0000000 3.4526491 5 In 3.7309795 0.0000000 0.5093686 0.0000000 2.7872746 0.0000000 0.7390187 0.0000000 3.6348291 6 In 3.7584301 0.0000000 0.3230312 0.0000000 4.4818649 0.0000000 0.8323551 0.0000000 3.8638247 7 In 3.7584301 0.0000000 0.3230312 0.0000000 4.4818649 0.0000000 0.8323551 0.0000000 3.8638247 8 In 3.7309795 0.0000000 0.5093686 0.0000000 2.7872746 0.0000000 0.7390187 0.0000000 3.6348291 9 Bi 4.4854277 0.0000000 -0.0902036 0.0000000 6.5295275 0.0000000 -0.2888413 0.0000000 3.0775021 10 Bi 4.1455723 0.0000000 0.1267592 0.0000000 5.8882456 0.0000000 -0.2628900 0.0000000 3.7184946 11 Bi 4.4854277 0.0000000 -0.0902036 0.0000000 6.5295275 0.0000000 -0.2888413 0.0000000 3.0775021 12 Bi 4.1455723 0.0000000 0.1267592 0.0000000 5.8882456 0.0000000 -0.2628900 0.0000000 3.7184946 13 S -3.4737809 0.0000000 -0.1438942 0.0000000 -3.2913962 0.0000000 -0.0170392 0.0000000 -2.1981962 14 S -1.3813758 0.0000000 -0.1802544 0.0000000 -4.1721708 0.0000000 -0.3999237 0.0000000 -2.4753090 15 S -3.4737809 0.0000000 -0.1438942 0.0000000 -3.2913962 0.0000000 -0.0170392 0.0000000 -2.1981962 16 S -2.7177585 0.0000000 0.9438825 0.0000000 -2.1748893 0.0000000 0.5141320 0.0000000 -1.7023051 17 S -2.7309486 0.0000000 -0.0366175 0.0000000 -3.8328747 0.0000000 0.1135094 0.0000000 -2.7695887 18 S -2.8845394 0.0000000 -0.3678142 0.0000000 -3.5567799 0.0000000 0.2536394 0.0000000 -2.3468302 19 S -3.2705495 0.0000000 0.0331770 0.0000000 -2.2012003 0.0000000 -0.1176529 0.0000000 -2.2421553 20 S -1.9778000 0.0000000 0.1490371 0.0000000 -2.5521588 0.0000000 -0.1417813 0.0000000 -3.3254574 21 S -1.8224535 0.0000000 -0.3875453 0.0000000 -2.5969660 0.0000000 -0.4842199 0.0000000 -2.4408237 22 S -2.7177585 0.0000000 0.9438825 0.0000000 -2.1748893 0.0000000 0.5141320 0.0000000 -1.7023051 23 S -1.9778000 0.0000000 0.1490371 0.0000000 -2.5521588 0.0000000 -0.1417813 0.0000000 -3.3254574 24 S -2.8845394 0.0000000 -0.3678142 0.0000000 -3.5567799 0.0000000 0.2536394 0.0000000 -2.3468302 25 S -3.0001162 0.0000000 -0.1940627 0.0000000 -3.6371573 0.0000000 -0.2372620 0.0000000 -1.9731947 26 S -1.8224535 0.0000000 -0.3875453 0.0000000 -2.5969660 0.0000000 -0.4842199 0.0000000 -2.4408237 27 S -1.3813758 0.0000000 -0.1802544 0.0000000 -4.1721708 0.0000000 -0.3999237 0.0000000 -2.4753090 28 S -3.2705495 0.0000000 0.0331770 0.0000000 -2.2012003 0.0000000 -0.1176529 0.0000000 -2.2421553 29 S -2.7309486 0.0000000 -0.0366175 0.0000000 -3.8328747 0.0000000 0.1135094 0.0000000 -2.7695887 30 S -3.0001162 0.0000000 -0.1940627 0.0000000 -3.6371573 0.0000000 -0.2372620 0.0000000 -1.9731947----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 5 13 3 ]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: 0.47, Number of G-points: 299, Lambda: 0.15Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/56) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.840 ( 0.000 0.000 0.000) 0.000 0.870 ( 0.000 0.000 0.000) 0.000 0.924 ( 0.000 0.000 0.000) 0.000 1.003 ( 0.000 0.000 0.000) 0.000 1.022 ( 0.000 0.000 0.000) 0.000 1.133 ( 0.000 0.000 0.000) 0.000 1.161 ( 0.000 0.000 0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 1.295 ( 0.000 0.000 0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 1.376 ( 0.000 0.000 0.000) 0.000 1.468 ( 0.000 0.000 0.000) 0.000 1.672 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.744 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.855 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 5.891 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 6.008 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.175 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.678 ( 0.000 0.000 0.000) 0.000 6.691 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 6.837 ( 0.000 0.000 0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.363 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.424 ( 0.000 0.000 0.000) 0.000 7.599 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 7.882 ( 0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.105 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 0.000 0.000) 0.000 8.575 ( 0.000 0.000 0.000) 0.000 8.677 ( 0.000 0.000 0.000) 0.000 8.838 ( 0.000 0.000 0.000) 0.000 8.936 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 9.037 ( 0.000 0.000 0.000) 0.000 9.457 ( 0.000 0.000 0.000) 0.000 9.500 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 10.004 ( 0.000 0.000 0.000) 0.000 10.190 ( 0.000 0.000 0.000) 0.000 10.358 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/56) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.303 ( 14.639 0.000 5.160) 15.521 0.343 ( 17.596 0.000 -0.442) 17.601 0.510 ( 23.876 0.000 9.185) 25.582 0.796 ( -1.757 0.000 -10.328) 10.476 0.928 ( 0.406 0.000 0.672) 0.785 0.932 ( 4.198 0.000 -1.121) 4.345 0.957 ( -8.500 0.000 0.392) 8.509 1.037 ( -0.995 0.000 0.001) 0.995 1.076 ( 5.085 0.000 2.248) 5.559 1.151 ( -3.390 0.000 -0.029) 3.390 1.208 ( -5.995 0.000 -5.663) 8.247 1.267 ( -4.677 0.000 5.789) 7.442 1.434 ( 4.398 0.000 1.041) 4.520 1.437 ( 5.585 0.000 5.268) 7.677 1.477 ( 2.179 0.000 -2.884) 3.615 1.646 ( -2.183 0.000 2.000) 2.960 1.674 ( 0.094 0.000 2.405) 2.407 1.772 ( -1.658 0.000 -1.054) 1.965 1.804 ( -4.498 0.000 -1.895) 4.881 1.854 ( 1.756 0.000 -0.288) 1.779 1.946 ( 2.353 0.000 -3.956) 4.603 2.119 ( -2.271 0.000 3.305) 4.009 2.142 ( 0.202 0.000 0.206) 0.288 2.196 ( 0.353 0.000 1.255) 1.304 2.320 ( -0.366 0.000 -0.051) 0.370 2.394 ( -2.857 0.000 -3.289) 4.357 2.623 ( 1.380 0.000 0.723) 1.557 2.655 ( -1.743 0.000 2.257) 2.852 2.743 ( 1.195 0.000 0.182) 1.208 2.986 ( -3.513 0.000 -0.849) 3.614 3.301 ( -6.380 0.000 2.938) 7.024 3.459 ( -3.538 0.000 -3.412) 4.915 3.549 ( 0.029 0.000 0.003) 0.029 3.769 ( 4.231 0.000 0.008) 4.231 3.776 ( 0.167 0.000 -6.678) 6.680 3.841 ( 3.133 0.000 2.074) 3.757 3.960 ( 3.222 0.000 -0.082) 3.223 4.499 ( 2.469 0.000 -0.614) 2.544 4.665 ( -2.215 0.000 -0.063) 2.216 4.802 ( 0.259 0.000 -2.176) 2.191 4.861 ( 1.516 0.000 1.824) 2.372 5.250 ( 3.676 0.000 -0.282) 3.687 5.268 ( 3.615 0.000 0.102) 3.616 5.558 ( 0.643 0.000 1.094) 1.269 5.645 ( -1.667 0.000 -0.367) 1.707 5.680 ( -2.166 0.000 4.025) 4.571 5.846 ( -7.526 0.000 0.543) 7.545 5.882 ( 1.377 0.000 1.335) 1.918 6.008 ( -0.077 0.000 -0.028) 0.082 6.075 ( 3.338 0.000 -1.005) 3.486 6.137 ( 1.369 0.000 -1.604) 2.108 6.271 ( 0.002 0.000 -11.315) 11.315 6.330 ( -0.137 0.000 -0.141) 0.196 6.399 ( -2.838 0.000 -0.513) 2.884 6.483 ( 1.103 0.000 0.319) 1.148 6.625 ( 6.131 0.000 0.649) 6.165 6.664 ( -1.102 0.000 0.676) 1.293 6.705 ( 1.206 0.000 -0.742) 1.416 6.715 ( -4.908 0.000 -0.676) 4.954 6.838 ( 4.779 0.000 -2.222) 5.270 6.981 ( -0.959 0.000 2.305) 2.497 7.052 ( 1.997 0.000 -5.716) 6.055 7.156 ( -0.020 0.000 -0.362) 0.362 7.183 ( -0.776 0.000 -0.449) 0.897 7.302 ( -1.509 0.000 19.071) 19.130 7.391 ( -0.648 0.000 2.547) 2.628 7.426 ( 0.237 0.000 0.271) 0.360 7.519 ( -4.948 0.000 1.719) 5.238 7.649 ( 1.745 0.000 6.326) 6.562 7.843 ( 1.477 0.000 -10.226) 10.332 7.886 ( 0.272 0.000 1.862) 1.882 8.056 ( -5.982 0.000 -0.697) 6.022 8.102 ( 0.320 0.000 -0.591) 0.672 8.112 ( -0.074 0.000 0.552) 0.557 8.196 ( -2.639 0.000 0.723) 2.736 8.393 ( -0.468 0.000 4.018) 4.045 8.450 ( 0.271 0.000 -2.479) 2.494 8.488 ( 1.588 0.000 -1.700) 2.326 8.560 ( -0.846 0.000 -0.335) 0.910 8.701 ( 1.887 0.000 3.606) 4.070 8.847 ( 0.786 0.000 -0.368) 0.868 8.937 ( 0.027 0.000 0.012) 0.029 8.940 ( 0.001 0.000 -0.011) 0.011 9.017 ( -2.091 0.000 -2.773) 3.473 9.523 ( 1.730 0.000 -0.019) 1.730 9.567 ( 0.950 0.000 -0.502) 1.075 9.858 ( 1.297 0.000 1.430) 1.931 10.198 ( 0.778 0.000 1.630) 1.806 10.256 ( 0.741 0.000 -2.629) 2.731 10.339 ( -1.813 0.000 -1.416) 2.300======================= Grid point 2 (3/56) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.484 ( 3.043 0.000 4.500) 5.432 0.609 ( 10.457 0.000 -0.094) 10.457 0.766 ( 7.891 0.000 1.960) 8.130 0.807 ( -6.158 0.000 -0.150) 6.160 0.909 ( 8.752 0.000 -9.101) 12.627 0.938 ( 0.526 0.000 0.196) 0.561 0.983 ( 2.556 0.000 4.365) 5.059 1.032 ( -6.274 0.000 0.637) 6.306 1.039 ( -0.258 0.000 0.125) 0.287 1.073 ( -3.515 0.000 0.538) 3.556 1.152 ( -6.874 0.000 -2.956) 7.483 1.256 ( 6.292 0.000 5.223) 8.177 1.458 ( 0.227 0.000 -0.964) 0.990 1.535 ( 2.075 0.000 -0.285) 2.095 1.551 ( 4.889 0.000 0.128) 4.891 1.659 ( -2.901 0.000 -2.086) 3.573 1.681 ( 0.207 0.000 1.648) 1.661 1.733 ( 6.303 0.000 0.956) 6.375 1.748 ( -0.656 0.000 -0.836) 1.063 1.878 ( 0.769 0.000 -0.205) 0.796 1.947 ( -2.199 0.000 -0.664) 2.297 1.997 ( -10.728 0.000 -1.939) 10.902 2.145 ( 0.107 0.000 0.128) 0.167 2.211 ( 0.706 0.000 1.584) 1.734 2.314 ( -0.236 0.000 -0.031) 0.238 2.315 ( -2.930 0.000 -2.275) 3.710 2.608 ( -0.275 0.000 -1.603) 1.626 2.715 ( 3.360 0.000 8.718) 9.343 2.797 ( 4.983 0.000 -5.950) 7.761 2.897 ( -5.778 0.000 -0.471) 5.797 3.158 ( -6.212 0.000 2.131) 6.568 3.454 ( 0.722 0.000 -0.547) 0.905 3.549 ( 0.019 0.000 0.001) 0.019 3.779 ( 0.842 0.000 -2.141) 2.301 3.844 ( -1.136 0.000 1.616) 1.975 3.845 ( 2.921 0.000 0.007) 2.921 4.028 ( 2.511 0.000 -0.455) 2.552 4.541 ( 1.553 0.000 -0.356) 1.594 4.630 ( -1.210 0.000 -0.041) 1.211 4.802 ( 0.132 0.000 -0.966) 0.975 4.890 ( 0.980 0.000 0.719) 1.216 5.298 ( 1.211 0.000 -0.473) 1.300 5.332 ( 2.443 0.000 0.092) 2.445 5.570 ( 0.454 0.000 0.825) 0.941 5.605 ( -2.006 0.000 -0.328) 2.033 5.665 ( -0.234 0.000 1.360) 1.380 5.728 ( -3.936 0.000 0.315) 3.948 5.900 ( 0.390 0.000 0.720) 0.818 6.006 ( -0.091 0.000 0.070) 0.115 6.122 ( 1.389 0.000 -3.883) 4.124 6.190 ( 3.567 0.000 8.030) 8.787 6.247 ( -1.057 0.000 -8.462) 8.528 6.330 ( 0.170 0.000 -0.045) 0.175 6.368 ( -0.832 0.000 -0.266) 0.874 6.489 ( -0.495 0.000 0.658) 0.823 6.625 ( -3.350 0.000 -1.161) 3.546 6.647 ( -0.547 0.000 0.170) 0.573 6.691 ( 1.043 0.000 0.456) 1.139 6.737 ( 1.868 0.000 -0.345) 1.900 6.895 ( 0.898 0.000 -2.054) 2.242 6.967 ( -0.432 0.000 1.874) 1.923 7.115 ( 3.440 0.000 -1.219) 3.650 7.155 ( -0.065 0.000 -0.233) 0.242 7.204 ( 4.790 0.000 -2.007) 5.193 7.303 ( -0.659 0.000 6.055) 6.090 7.343 ( -6.056 0.000 2.210) 6.446 7.431 ( 0.173 0.000 0.168) 0.241 7.450 ( -1.408 0.000 -0.529) 1.504 7.676 ( 0.610 0.000 1.613) 1.724 7.834 ( -1.157 0.000 -2.641) 2.883 7.896 ( 0.372 0.000 0.693) 0.786 7.957 ( -2.794 0.000 -0.416) 2.825 8.107 ( 0.312 0.000 -0.960) 1.010 8.111 ( -0.161 0.000 0.936) 0.950 8.193 ( 0.810 0.000 0.486) 0.945 8.361 ( -1.959 0.000 0.952) 2.178 8.455 ( 0.397 0.000 -1.110) 1.178 8.488 ( -0.828 0.000 -0.611) 1.029 8.565 ( 0.688 0.000 0.223) 0.723 8.742 ( 1.553 0.000 1.495) 2.156 8.858 ( 0.342 0.000 -0.314) 0.464 8.937 ( 0.019 0.000 0.009) 0.021 8.940 ( -0.002 0.000 -0.008) 0.008 8.978 ( -1.326 0.000 -1.098) 1.722 9.542 ( 0.393 0.000 0.071) 0.399 9.589 ( 0.967 0.000 -0.600) 1.138 9.883 ( 0.857 0.000 0.913) 1.252 10.222 ( 1.640 0.000 -0.612) 1.751 10.256 ( -1.055 0.000 2.534) 2.745 10.305 ( -0.915 0.000 -2.395) 2.564======================= Grid point 5 (4/56) =======================q-point: ( 0.00 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.303 ( 0.000 18.011 0.000) 18.011 0.398 ( 0.000 21.474 0.000) 21.474 0.745 ( 0.000 34.148 0.000) 34.148 0.806 ( 0.000 0.852 0.000) 0.852 0.809 ( 0.000 -0.731 0.000) 0.731 0.940 ( 0.000 -1.260 0.000) 1.260 1.093 ( 0.000 10.871 0.000) 10.871 1.130 ( 0.000 -0.431 0.000) 0.431 1.232 ( 0.000 17.726 0.000) 17.726 1.239 ( 0.000 0.794 0.000) 0.794 1.356 ( 0.000 8.628 0.000) 8.628 1.383 ( 0.000 1.997 0.000) 1.997 1.438 ( 0.000 14.912 0.000) 14.912 1.531 ( 0.000 8.060 0.000) 8.060 1.533 ( 0.000 5.068 0.000) 5.068 1.604 ( 0.000 -4.217 0.000) 4.217 1.769 ( 0.000 9.044 0.000) 9.044 1.850 ( 0.000 4.930 0.000) 4.930 1.858 ( 0.000 10.330 0.000) 10.330 1.908 ( 0.000 6.988 0.000) 6.988 2.049 ( 0.000 5.912 0.000) 5.912 2.064 ( 0.000 4.065 0.000) 4.065 2.230 ( 0.000 7.571 0.000) 7.571 2.244 ( 0.000 8.030 0.000) 8.030 2.429 ( 0.000 9.340 0.000) 9.340 2.480 ( 0.000 7.035 0.000) 7.035 2.589 ( 0.000 8.335 0.000) 8.335 2.668 ( 0.000 2.346 0.000) 2.346 2.733 ( 0.000 1.952 0.000) 1.952 2.965 ( 0.000 -3.774 0.000) 3.774 3.258 ( 0.000 -1.072 0.000) 1.072 3.432 ( 0.000 -6.519 0.000) 6.519 3.512 ( 0.000 -4.477 0.000) 4.477 3.732 ( 0.000 -6.630 0.000) 6.630 3.761 ( 0.000 0.738 0.000) 0.738 4.134 ( 0.000 23.306 0.000) 23.306 4.429 ( 0.000 -3.896 0.000) 3.896 4.739 ( 0.000 11.491 0.000) 11.491 4.774 ( 0.000 -1.893 0.000) 1.893 4.875 ( 0.000 2.428 0.000) 2.428 5.035 ( 0.000 -3.817 0.000) 3.817 5.336 ( 0.000 7.525 0.000) 7.525 5.370 ( 0.000 0.522 0.000) 0.522 5.536 ( 0.000 -10.066 0.000) 10.066 5.674 ( 0.000 8.965 0.000) 8.965 5.709 ( 0.000 -5.298 0.000) 5.298 5.750 ( 0.000 -4.693 0.000) 4.693 5.893 ( 0.000 3.227 0.000) 3.227 5.996 ( 0.000 1.150 0.000) 1.150 6.073 ( 0.000 2.864 0.000) 2.864 6.085 ( 0.000 -4.639 0.000) 4.639 6.261 ( 0.000 -2.744 0.000) 2.744 6.325 ( 0.000 -2.874 0.000) 2.874 6.347 ( 0.000 -2.684 0.000) 2.684 6.490 ( 0.000 -0.607 0.000) 0.607 6.536 ( 0.000 2.641 0.000) 2.641 6.587 ( 0.000 2.665 0.000) 2.665 6.668 ( 0.000 0.213 0.000) 0.213 6.807 ( 0.000 5.937 0.000) 5.937 6.874 ( 0.000 -3.635 0.000) 3.635 6.904 ( 0.000 4.903 0.000) 4.903 7.050 ( 0.000 3.334 0.000) 3.334 7.163 ( 0.000 3.754 0.000) 3.754 7.208 ( 0.000 1.022 0.000) 1.022 7.350 ( 0.000 -2.095 0.000) 2.095 7.415 ( 0.000 2.410 0.000) 2.410 7.467 ( 0.000 3.720 0.000) 3.720 7.591 ( 0.000 -0.556 0.000) 0.556 7.666 ( 0.000 0.652 0.000) 0.652 7.820 ( 0.000 -1.717 0.000) 1.717 7.847 ( 0.000 -1.027 0.000) 1.027 8.039 ( 0.000 -6.696 0.000) 6.696 8.147 ( 0.000 2.462 0.000) 2.462 8.226 ( 0.000 -4.994 0.000) 4.994 8.284 ( 0.000 -1.054 0.000) 1.054 8.349 ( 0.000 0.717 0.000) 0.717 8.373 ( 0.000 2.320 0.000) 2.320 8.435 ( 0.000 -1.826 0.000) 1.826 8.620 ( 0.000 4.232 0.000) 4.232 8.649 ( 0.000 -2.389 0.000) 2.389 8.810 ( 0.000 -2.524 0.000) 2.524 8.924 ( 0.000 -0.858 0.000) 0.858 9.143 ( 0.000 7.623 0.000) 7.623 9.291 ( 0.000 0.255 0.000) 0.255 9.481 ( 0.000 2.953 0.000) 2.953 9.522 ( 0.000 2.691 0.000) 2.691 9.823 ( 0.000 -1.970 0.000) 1.970 9.977 ( 0.000 -2.661 0.000) 2.661 10.166 ( 0.000 -2.337 0.000) 2.337 10.314 ( 0.000 -4.159 0.000) 4.159======================= Grid point 6 (5/56) =======================q-point: ( 0.20 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.431 ( 12.931 9.625 -0.016) 16.120 0.475 ( 6.941 15.666 2.744) 17.353 0.758 ( -1.865 5.944 -3.900) 7.350 0.825 ( 3.402 2.454 -0.618) 4.239 0.904 ( 8.873 18.389 -5.329) 21.102 0.991 ( 5.097 0.253 7.309) 8.914 1.070 ( -2.937 3.597 3.511) 5.821 1.123 ( -1.713 6.321 0.641) 6.581 1.200 ( -0.310 11.177 -1.506) 11.283 1.225 ( -4.068 10.405 -1.899) 11.332 1.268 ( -3.095 5.575 -1.683) 6.595 1.399 ( 0.308 10.303 -3.035) 10.745 1.482 ( 1.844 10.788 6.062) 12.511 1.526 ( 1.003 5.603 2.173) 6.093 1.546 ( 0.253 2.007 0.971) 2.244 1.587 ( 0.403 2.713 -2.027) 3.410 1.737 ( -2.778 4.081 2.193) 5.402 1.829 ( -2.302 4.448 -0.833) 5.078 1.890 ( -0.002 6.451 -1.938) 6.736 1.964 ( 1.843 7.078 -0.011) 7.314 2.040 ( -1.462 4.303 0.605) 4.584 2.091 ( 6.102 6.003 -0.692) 8.587 2.214 ( -2.480 8.361 -3.675) 9.464 2.241 ( 0.643 7.805 0.928) 7.886 2.441 ( 0.587 9.384 2.236) 9.665 2.453 ( -2.920 7.597 -4.142) 9.132 2.616 ( -0.281 3.534 -4.385) 5.639 2.653 ( 1.865 2.789 9.254) 9.843 2.763 ( 2.783 3.487 -3.398) 5.608 2.932 ( -3.185 -2.638 0.627) 4.183 3.265 ( -3.430 -2.677 2.327) 4.935 3.349 ( -2.686 -3.033 1.031) 4.181 3.510 ( -0.352 -7.588 -2.439) 7.978 3.669 ( -1.957 -4.365 0.890) 4.866 3.866 ( 4.056 -4.574 -2.371) 6.557 4.134 ( -0.060 25.708 3.437) 25.937 4.447 ( 1.686 -3.999 0.731) 4.401 4.618 ( -14.011 24.216 -2.010) 28.050 4.790 ( 1.193 -0.715 -2.989) 3.297 4.849 ( -5.158 8.706 2.763) 10.490 4.909 ( -4.544 9.284 -3.920) 11.055 5.197 ( -3.675 -1.162 -5.181) 6.458 5.367 ( 2.940 6.885 0.611) 7.512 5.514 ( -0.546 -8.135 0.063) 8.154 5.589 ( 0.408 2.054 5.014) 5.434 5.706 ( -1.867 3.812 -0.288) 4.254 5.804 ( -2.766 -12.010 -1.001) 12.365 5.906 ( 1.154 1.995 0.313) 2.326 5.995 ( 1.811 -2.332 0.065) 2.954 6.065 ( 2.455 -1.847 -5.129) 5.979 6.132 ( 1.495 0.693 7.670) 7.845 6.209 ( -0.522 3.691 -2.851) 4.693 6.341 ( 0.277 0.072 0.212) 0.356 6.440 ( -4.009 2.347 -5.165) 6.947 6.467 ( 2.214 -0.948 0.834) 2.548 6.566 ( 6.213 -4.379 0.205) 7.604 6.602 ( -1.751 -1.879 0.240) 2.580 6.660 ( -0.837 -1.438 -0.473) 1.730 6.803 ( -1.194 6.715 1.756) 7.043 6.888 ( 2.248 -0.999 -1.595) 2.932 6.927 ( 2.065 1.262 0.958) 2.603 7.098 ( 3.575 2.013 -1.215) 4.279 7.145 ( -0.983 2.878 -1.677) 3.473 7.191 ( -1.356 1.277 1.679) 2.507 7.349 ( -0.487 -0.519 4.433) 4.490 7.404 ( -1.596 1.308 0.334) 2.091 7.469 ( 0.037 3.548 0.291) 3.560 7.540 ( -4.306 1.946 1.013) 4.833 7.669 ( 0.370 0.869 2.251) 2.441 7.824 ( 0.329 -1.017 -3.486) 3.646 7.841 ( -0.004 -3.879 3.002) 4.905 8.025 ( -0.930 -3.689 -0.637) 3.857 8.120 ( -1.422 -0.181 0.464) 1.506 8.198 ( -0.998 3.460 -1.220) 3.802 8.206 ( -4.954 2.236 -0.851) 5.501 8.395 ( 2.223 -1.557 2.606) 3.763 8.426 ( -0.277 -1.751 -2.073) 2.728 8.443 ( 2.961 -1.152 -0.752) 3.265 8.595 ( -1.401 2.373 0.166) 2.760 8.666 ( 0.988 -1.374 2.407) 2.943 8.809 ( -0.054 -2.913 0.629) 2.980 8.934 ( 1.051 -0.539 -1.121) 1.628 9.092 ( -5.408 7.967 0.883) 9.670 9.111 ( -5.966 7.427 -2.334) 9.808 9.541 ( 2.257 2.179 0.041) 3.138 9.573 ( 2.463 1.531 0.194) 2.906 9.830 ( 1.043 -2.508 0.836) 2.842 10.106 ( 7.054 -9.293 -1.408) 11.752 10.174 ( 0.868 -2.268 1.648) 2.934 10.296 ( -1.784 -3.868 -0.880) 4.349======================= Grid point 7 (6/56) =======================q-point: ( 0.40 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.584 ( 2.244 9.859 2.656) 10.454 0.691 ( 10.950 2.394 3.150) 11.643 0.732 ( 4.222 5.208 -2.764) 7.252 0.913 ( 5.399 0.846 -5.099) 7.474 0.938 ( -5.636 6.203 -2.481) 8.741 1.000 ( -4.768 2.214 3.388) 6.254 1.026 ( -4.368 6.581 -1.525) 8.045 1.118 ( 2.445 6.418 5.747) 8.955 1.161 ( -0.447 10.199 -1.895) 10.383 1.205 ( 0.403 11.271 -0.874) 11.312 1.297 ( 3.393 6.175 1.021) 7.119 1.379 ( -1.085 19.413 -0.251) 19.444 1.507 ( 0.513 0.485 2.496) 2.594 1.535 ( 0.348 4.371 -1.700) 4.703 1.562 ( -0.435 3.172 0.368) 3.223 1.637 ( 1.237 6.355 -1.834) 6.729 1.742 ( 7.223 4.680 3.251) 9.200 1.775 ( -1.374 1.440 0.437) 2.038 1.900 ( -0.494 4.393 -1.629) 4.711 1.937 ( -2.781 9.483 0.618) 9.902 1.979 ( -5.904 3.233 -1.397) 6.874 2.145 ( -2.000 16.041 -1.453) 16.230 2.202 ( 3.144 3.298 -0.272) 4.565 2.251 ( 0.071 8.407 0.743) 8.440 2.369 ( -3.115 7.181 -1.698) 8.010 2.467 ( 0.837 11.237 0.607) 11.285 2.589 ( -0.827 -0.117 -1.398) 1.628 2.738 ( 4.197 2.978 6.622) 8.387 2.810 ( 2.034 2.748 -7.009) 7.799 2.873 ( -2.558 0.173 1.680) 3.065 3.138 ( -5.996 -0.095 2.308) 6.426 3.387 ( 2.394 -5.978 -0.118) 6.441 3.502 ( 0.131 -11.045 -1.284) 11.120 3.656 ( 0.003 -8.482 0.903) 8.530 3.858 ( -2.633 5.494 -1.140) 6.198 4.154 ( 1.221 22.801 1.596) 22.890 4.422 ( -3.758 28.931 0.299) 29.176 4.488 ( 0.816 -4.529 -1.309) 4.785 4.771 ( -1.173 8.798 -1.708) 9.038 4.817 ( 0.187 4.087 0.200) 4.096 4.899 ( 0.390 1.962 0.179) 2.009 5.167 ( -0.668 -9.044 -1.623) 9.213 5.427 ( 2.843 6.868 0.230) 7.437 5.500 ( -1.208 -9.986 0.687) 10.082 5.623 ( 1.702 5.111 1.382) 5.561 5.663 ( -2.189 1.503 0.417) 2.688 5.743 ( -2.056 -4.027 -0.283) 4.531 5.925 ( 0.581 2.541 0.267) 2.620 6.032 ( 1.339 -7.760 -0.335) 7.881 6.111 ( 1.874 -0.477 -2.154) 2.895 6.182 ( 3.208 2.521 1.992) 4.540 6.210 ( 0.283 2.726 3.635) 4.552 6.337 ( -1.691 2.135 -1.475) 3.098 6.357 ( -1.932 1.870 -5.034) 5.707 6.489 ( -0.494 1.132 1.196) 1.719 6.552 ( -1.694 -2.380 -0.025) 2.922 6.629 ( -0.813 -3.454 -1.388) 3.811 6.661 ( 2.343 -6.021 0.704) 6.499 6.780 ( -0.957 7.178 0.631) 7.269 6.914 ( 0.608 -4.052 -0.000) 4.098 6.967 ( 1.033 4.339 -0.496) 4.488 7.139 ( 1.222 1.818 -0.627) 2.278 7.166 ( 0.736 2.950 0.213) 3.047 7.185 ( 3.440 -1.685 -0.915) 3.938 7.333 ( -5.284 -0.713 1.081) 5.441 7.350 ( -0.569 1.825 2.613) 3.238 7.463 ( -0.376 2.913 -0.182) 2.943 7.497 ( -0.489 4.626 0.282) 4.660 7.679 ( 0.368 0.128 0.598) 0.713 7.819 ( -0.267 -3.765 -0.508) 3.808 7.852 ( 0.495 -3.716 0.491) 3.781 8.007 ( -0.823 5.585 -0.976) 5.729 8.108 ( -0.429 -3.899 3.234) 5.084 8.146 ( -0.943 2.319 -2.629) 3.630 8.188 ( -0.419 2.621 -0.516) 2.704 8.393 ( -0.941 2.614 1.166) 3.013 8.440 ( 1.017 -3.469 -0.897) 3.725 8.462 ( -0.222 -0.304 -0.685) 0.782 8.587 ( 0.100 1.442 0.317) 1.479 8.686 ( 0.697 -2.946 1.210) 3.260 8.810 ( 0.046 -3.593 0.197) 3.599 8.957 ( 1.460 -0.178 -1.049) 1.807 9.027 ( -2.097 5.805 0.443) 6.188 9.039 ( -2.080 6.314 -0.568) 6.672 9.566 ( 0.527 2.773 0.051) 2.823 9.603 ( 0.980 1.885 -0.289) 2.144 9.851 ( 0.789 -2.952 0.624) 3.119 10.170 ( 1.161 -6.879 -1.513) 7.138 10.208 ( 2.039 -3.108 3.376) 5.021 10.256 ( -2.073 -3.690 -2.099) 4.724======================= Grid point 10 (7/56) =======================q-point: ( 0.00 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.666 ( 0.000 17.815 0.000) 17.815 0.807 ( 0.000 18.667 0.000) 18.667 0.866 ( 0.000 5.832 0.000) 5.832 0.879 ( 0.000 8.899 0.000) 8.899 1.023 ( 0.000 9.574 0.000) 9.574 1.184 ( 0.000 6.019 0.000) 6.019 1.201 ( 0.000 6.397 0.000) 6.397 1.284 ( 0.000 7.510 0.000) 7.510 1.351 ( 0.000 10.218 0.000) 10.218 1.507 ( 0.000 12.759 0.000) 12.759 1.542 ( 0.000 5.374 0.000) 5.374 1.564 ( 0.000 9.801 0.000) 9.801 1.584 ( 0.000 6.359 0.000) 6.359 1.618 ( 0.000 15.738 0.000) 15.738 1.706 ( 0.000 9.265 0.000) 9.265 1.762 ( 0.000 9.592 0.000) 9.592 1.926 ( 0.000 3.349 0.000) 3.349 1.962 ( 0.000 4.885 0.000) 4.885 2.015 ( 0.000 10.745 0.000) 10.745 2.070 ( 0.000 -0.107 0.000) 0.107 2.115 ( 0.000 13.448 0.000) 13.448 2.229 ( 0.000 10.729 0.000) 10.729 2.359 ( 0.000 5.183 0.000) 5.183 2.469 ( 0.000 9.583 0.000) 9.583 2.615 ( 0.000 7.847 0.000) 7.847 2.666 ( 0.000 10.404 0.000) 10.404 2.781 ( 0.000 10.350 0.000) 10.350 2.837 ( 0.000 14.938 0.000) 14.938 2.852 ( 0.000 9.906 0.000) 9.906 2.947 ( 0.000 4.312 0.000) 4.312 3.217 ( 0.000 -3.262 0.000) 3.262 3.307 ( 0.000 -6.473 0.000) 6.473 3.407 ( 0.000 -5.694 0.000) 5.694 3.554 ( 0.000 -8.504 0.000) 8.504 3.800 ( 0.000 3.761 0.000) 3.761 4.283 ( 0.000 -8.362 0.000) 8.362 4.589 ( 0.000 16.753 0.000) 16.753 4.728 ( 0.000 -4.178 0.000) 4.178 4.891 ( 0.000 0.851 0.000) 0.851 4.901 ( 0.000 -9.116 0.000) 9.116 5.061 ( 0.000 18.889 0.000) 18.889 5.204 ( 0.000 -17.788 0.000) 17.788 5.349 ( 0.000 -13.466 0.000) 13.466 5.444 ( 0.000 6.102 0.000) 6.102 5.634 ( 0.000 11.752 0.000) 11.752 5.782 ( 0.000 -0.139 0.000) 0.139 5.830 ( 0.000 2.677 0.000) 2.677 5.930 ( 0.000 -3.364 0.000) 3.364 5.982 ( 0.000 6.009 0.000) 6.009 6.106 ( 0.000 2.461 0.000) 2.461 6.143 ( 0.000 4.553 0.000) 4.553 6.287 ( 0.000 0.441 0.000) 0.441 6.310 ( 0.000 7.173 0.000) 7.173 6.357 ( 0.000 2.762 0.000) 2.762 6.485 ( 0.000 0.908 0.000) 0.908 6.540 ( 0.000 -0.949 0.000) 0.949 6.637 ( 0.000 4.507 0.000) 4.507 6.763 ( 0.000 8.464 0.000) 8.464 6.801 ( 0.000 -3.210 0.000) 3.210 6.960 ( 0.000 7.257 0.000) 7.257 6.980 ( 0.000 2.481 0.000) 2.481 7.079 ( 0.000 -0.305 0.000) 0.305 7.225 ( 0.000 2.509 0.000) 2.509 7.239 ( 0.000 1.552 0.000) 1.552 7.277 ( 0.000 -5.194 0.000) 5.194 7.454 ( 0.000 0.693 0.000) 0.693 7.541 ( 0.000 3.892 0.000) 3.892 7.581 ( 0.000 -1.070 0.000) 1.070 7.721 ( 0.000 -6.505 0.000) 6.505 7.726 ( 0.000 5.930 0.000) 5.930 7.850 ( 0.000 -3.756 0.000) 3.756 7.876 ( 0.000 -5.701 0.000) 5.701 8.114 ( 0.000 -5.221 0.000) 5.221 8.164 ( 0.000 -1.118 0.000) 1.118 8.286 ( 0.000 1.217 0.000) 1.217 8.366 ( 0.000 0.843 0.000) 0.843 8.392 ( 0.000 -1.478 0.000) 1.478 8.427 ( 0.000 2.195 0.000) 2.195 8.599 ( 0.000 -2.499 0.000) 2.499 8.682 ( 0.000 -0.827 0.000) 0.827 8.783 ( 0.000 2.273 0.000) 2.273 8.906 ( 0.000 -1.151 0.000) 1.151 9.244 ( 0.000 2.024 0.000) 2.024 9.273 ( 0.000 -2.015 0.000) 2.015 9.594 ( 0.000 8.114 0.000) 8.114 9.611 ( 0.000 5.511 0.000) 5.511 9.778 ( 0.000 -1.859 0.000) 1.859 9.906 ( 0.000 -4.153 0.000) 4.153 10.110 ( 0.000 -2.999 0.000) 2.999 10.215 ( 0.000 -5.411 0.000) 5.411======================= Grid point 11 (8/56) =======================q-point: ( 0.20 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( 2.982 14.390 -2.357) 14.883 0.800 ( 0.992 12.489 0.262) 12.531 0.872 ( -0.759 10.506 -1.608) 10.655 0.921 ( 3.504 8.079 -0.248) 8.810 1.061 ( 3.161 9.128 2.162) 9.899 1.139 ( -2.391 6.228 4.485) 8.038 1.256 ( 0.354 9.508 0.863) 9.554 1.274 ( 0.297 3.013 -3.449) 4.589 1.296 ( -4.685 7.966 0.299) 9.246 1.438 ( -5.994 7.839 -3.939) 10.625 1.487 ( -2.433 10.897 -0.855) 11.198 1.562 ( -0.676 6.417 -0.261) 6.457 1.596 ( 0.479 8.755 1.166) 8.846 1.680 ( 0.984 5.413 -1.423) 5.683 1.702 ( 2.666 13.886 4.527) 14.847 1.792 ( 2.584 8.841 0.641) 9.233 1.884 ( -2.348 6.163 0.584) 6.621 1.903 ( -3.605 10.493 4.013) 11.798 2.023 ( 0.291 6.205 -3.328) 7.047 2.099 ( 0.830 2.548 -1.261) 2.962 2.175 ( 2.449 13.681 0.341) 13.903 2.238 ( 3.161 10.255 -0.587) 10.747 2.377 ( 1.943 5.612 0.588) 5.968 2.475 ( 0.657 12.064 -1.723) 12.204 2.600 ( -1.677 5.562 1.119) 5.916 2.654 ( -1.922 11.395 -1.432) 11.644 2.762 ( -1.495 12.040 0.950) 12.170 2.820 ( 0.794 11.925 -2.388) 12.188 2.898 ( 1.631 7.995 1.289) 8.261 2.949 ( 1.153 8.468 -1.008) 8.605 3.213 ( -0.906 -3.111 2.254) 3.947 3.273 ( -3.244 -5.288 0.213) 6.207 3.381 ( -2.229 -4.888 0.979) 5.460 3.524 ( -2.533 -7.767 -1.436) 8.295 3.829 ( 2.348 1.076 -0.232) 2.593 4.305 ( 1.808 -9.290 0.524) 9.479 4.578 ( -0.506 16.200 3.847) 16.658 4.762 ( 2.880 -2.743 -1.861) 4.391 4.871 ( -2.009 1.629 1.946) 3.237 4.901 ( 0.045 -7.307 -1.312) 7.424 5.050 ( -0.989 17.433 1.490) 17.524 5.194 ( -1.225 -12.762 -3.972) 13.422 5.348 ( -4.506 -10.716 -5.586) 12.898 5.402 ( -1.326 4.394 2.611) 5.280 5.615 ( -2.401 8.270 -1.092) 8.680 5.702 ( 0.369 5.370 0.646) 5.421 5.819 ( -1.138 3.227 0.274) 3.433 5.964 ( 1.424 -1.667 -0.297) 2.212 5.991 ( 0.873 5.863 -0.681) 5.966 6.095 ( 0.785 2.147 -2.212) 3.181 6.171 ( 1.721 3.482 2.528) 4.634 6.281 ( -1.987 3.015 1.821) 4.044 6.341 ( 0.623 0.820 -3.222) 3.382 6.418 ( 6.020 1.625 4.628) 7.765 6.503 ( 0.202 -1.672 0.623) 1.796 6.538 ( 1.250 3.407 1.417) 3.895 6.611 ( -2.660 3.730 -1.142) 4.721 6.722 ( -3.511 6.267 -1.224) 7.287 6.824 ( 2.402 -1.016 -3.865) 4.663 6.928 ( -2.381 4.532 1.066) 5.230 7.010 ( 2.362 4.385 -0.777) 5.041 7.103 ( 1.395 -1.560 4.095) 4.599 7.189 ( -2.275 1.490 -3.122) 4.140 7.245 ( 0.065 3.186 1.983) 3.753 7.286 ( 0.530 -5.240 0.403) 5.282 7.428 ( -2.176 1.040 -1.212) 2.699 7.526 ( -0.945 1.936 -0.659) 2.253 7.604 ( 1.487 3.046 0.164) 3.394 7.656 ( -2.877 -3.458 -1.304) 4.684 7.766 ( 0.646 -2.430 2.341) 3.435 7.816 ( -3.802 -0.444 2.494) 4.569 7.906 ( 3.912 -4.918 -1.178) 6.394 8.120 ( 0.441 -1.299 0.356) 1.417 8.173 ( 0.755 -3.108 -1.687) 3.616 8.262 ( -1.803 1.895 -1.668) 3.103 8.352 ( -0.908 -1.268 1.043) 1.876 8.407 ( 1.088 -0.112 0.690) 1.293 8.462 ( 2.476 1.463 -0.241) 2.886 8.581 ( -1.396 -2.071 -0.094) 2.499 8.694 ( 0.912 -1.015 0.600) 1.491 8.765 ( -1.885 1.629 1.733) 3.034 8.920 ( 1.559 -0.800 -1.387) 2.235 9.194 ( -5.040 2.345 1.685) 5.808 9.201 ( -4.693 1.605 -2.213) 5.431 9.627 ( 2.369 6.427 -0.009) 6.849 9.648 ( 2.716 5.630 0.475) 6.269 9.777 ( 0.135 -2.115 0.034) 2.120 9.949 ( 3.579 -7.040 -0.268) 7.902 10.120 ( 0.903 -3.030 1.158) 3.367 10.204 ( -1.109 -5.040 -0.880) 5.235======================= Grid point 12 (9/56) =======================q-point: ( 0.40 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( 3.341 6.537 -0.740) 7.379 0.843 ( 2.251 7.670 -4.500) 9.173 0.864 ( 1.675 12.630 5.144) 13.740 0.978 ( 2.732 5.799 -1.598) 6.607 1.053 ( -3.198 9.710 -1.012) 10.273 1.138 ( -2.227 7.978 3.711) 9.077 1.191 ( -1.833 8.385 -0.226) 8.586 1.231 ( -1.422 6.929 5.301) 8.839 1.277 ( -2.171 3.905 -6.286) 7.712 1.377 ( 1.321 5.066 -3.865) 6.508 1.435 ( -3.128 8.090 2.062) 8.915 1.545 ( -0.607 2.633 -0.210) 2.710 1.603 ( 0.117 7.337 0.748) 7.376 1.684 ( 1.927 4.959 -0.511) 5.345 1.767 ( -3.846 3.286 3.185) 5.978 1.783 ( 1.860 13.218 0.326) 13.352 1.883 ( 0.297 9.981 -0.266) 9.989 1.932 ( 6.364 13.911 3.127) 15.614 2.016 ( -0.201 5.408 -2.352) 5.901 2.067 ( -3.996 6.817 -2.326) 8.238 2.177 ( -0.461 18.506 0.433) 18.517 2.315 ( 2.805 6.668 0.042) 7.234 2.422 ( 2.245 8.311 0.592) 8.630 2.484 ( 0.399 15.319 -0.460) 15.331 2.564 ( -1.241 3.421 -0.492) 3.672 2.600 ( -2.891 12.596 -1.143) 12.974 2.750 ( -0.224 12.465 0.859) 12.496 2.840 ( 1.015 7.804 0.174) 7.872 2.900 ( -0.513 7.492 0.097) 7.510 2.997 ( 3.169 12.211 -2.554) 12.871 3.164 ( -3.935 2.358 3.482) 5.759 3.239 ( -0.229 -9.058 -0.546) 9.078 3.352 ( -0.779 -4.246 0.407) 4.336 3.480 ( -1.569 -7.849 -0.816) 8.045 3.861 ( 0.957 -0.744 -0.136) 1.220 4.331 ( 0.783 -10.241 0.186) 10.273 4.589 ( 0.561 16.076 2.594) 16.293 4.803 ( 1.642 -0.782 -1.447) 2.324 4.838 ( -1.482 7.618 1.928) 7.996 4.899 ( -0.073 -6.672 -0.545) 6.694 5.044 ( 0.340 10.102 3.179) 10.596 5.112 ( -5.022 10.041 -8.940) 14.352 5.256 ( -1.572 -16.093 0.514) 16.178 5.427 ( 1.159 -3.371 0.634) 3.621 5.607 ( 0.443 6.480 0.752) 6.539 5.749 ( 2.915 5.787 0.569) 6.505 5.795 ( -1.572 3.997 0.736) 4.358 5.979 ( 0.452 -0.640 -0.212) 0.811 6.002 ( 0.367 5.144 -0.364) 5.170 6.099 ( -0.250 0.071 -0.158) 0.304 6.223 ( 1.737 2.031 -4.046) 4.849 6.253 ( 0.430 4.008 4.088) 5.741 6.343 ( 0.364 -0.723 -0.487) 0.945 6.452 ( -2.679 1.713 -0.883) 3.301 6.522 ( 2.527 -0.133 1.443) 2.912 6.563 ( -1.685 0.881 -1.022) 2.158 6.586 ( 2.676 4.884 4.247) 7.004 6.652 ( -3.554 5.901 -3.065) 7.540 6.856 ( 0.884 0.621 -1.050) 1.507 6.897 ( -0.629 4.256 -0.571) 4.340 7.041 ( 0.639 3.038 -0.200) 3.111 7.122 ( 0.246 -3.791 2.061) 4.322 7.163 ( -0.048 0.052 -0.766) 0.769 7.249 ( 0.000 4.096 0.714) 4.157 7.289 ( -0.216 -4.439 -0.007) 4.444 7.394 ( -1.003 3.318 -0.650) 3.527 7.512 ( -0.347 0.901 -0.667) 1.174 7.594 ( -1.423 2.140 0.130) 2.573 7.657 ( 1.803 -2.248 -0.383) 2.907 7.750 ( -2.446 -2.433 1.571) 3.790 7.777 ( -0.137 -2.965 0.716) 3.054 7.973 ( 2.580 -3.890 -0.770) 4.731 8.123 ( -0.115 2.589 0.545) 2.648 8.177 ( -0.088 0.651 -0.773) 1.015 8.236 ( -0.581 0.707 -1.139) 1.461 8.343 ( -0.270 -4.429 0.746) 4.499 8.422 ( 0.385 0.598 0.335) 0.786 8.489 ( 0.532 1.575 -0.256) 1.682 8.565 ( -0.252 -1.787 0.005) 1.805 8.711 ( 0.853 -0.453 0.214) 0.989 8.732 ( -1.664 -0.223 1.081) 1.997 8.950 ( 1.472 -0.378 -1.044) 1.844 9.114 ( -2.963 2.671 0.848) 4.078 9.138 ( -1.751 3.085 -0.787) 3.633 9.659 ( 0.879 6.304 -0.069) 6.365 9.681 ( 0.839 6.113 0.187) 6.174 9.784 ( 0.389 -3.241 0.084) 3.265 9.999 ( 1.542 -9.116 -0.212) 9.248 10.145 ( 1.507 -3.458 1.782) 4.172 10.177 ( -1.582 -4.189 -1.575) 4.747======================= Grid point 15 (10/56) =======================q-point: ( 0.00 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( 0.000 13.547 0.000) 13.547 0.988 ( 0.000 6.125 0.000) 6.125 1.089 ( 0.000 12.496 0.000) 12.496 1.131 ( 0.000 12.708 0.000) 12.708 1.271 ( 0.000 13.114 0.000) 13.114 1.272 ( 0.000 2.975 0.000) 2.975 1.348 ( 0.000 10.395 0.000) 10.395 1.465 ( 0.000 7.611 0.000) 7.611 1.488 ( 0.000 7.908 0.000) 7.908 1.616 ( 0.000 5.562 0.000) 5.562 1.650 ( 0.000 7.062 0.000) 7.062 1.694 ( 0.000 3.913 0.000) 3.913 1.785 ( 0.000 4.634 0.000) 4.634 1.812 ( 0.000 2.213 0.000) 2.213 1.866 ( 0.000 3.535 0.000) 3.535 1.919 ( 0.000 6.965 0.000) 6.965 2.022 ( 0.000 3.963 0.000) 3.963 2.058 ( 0.000 10.323 0.000) 10.323 2.107 ( 0.000 1.940 0.000) 1.940 2.159 ( 0.000 2.999 0.000) 2.999 2.361 ( 0.000 10.681 0.000) 10.681 2.486 ( 0.000 14.005 0.000) 14.005 2.490 ( 0.000 5.304 0.000) 5.304 2.545 ( 0.000 4.941 0.000) 4.941 2.742 ( 0.000 5.866 0.000) 5.866 2.810 ( 0.000 2.264 0.000) 2.264 2.946 ( 0.000 -0.388 0.000) 0.388 3.075 ( 0.000 7.104 0.000) 7.104 3.077 ( 0.000 9.589 0.000) 9.589 3.098 ( 0.000 5.474 0.000) 5.474 3.202 ( 0.000 5.517 0.000) 5.517 3.204 ( 0.000 0.669 0.000) 0.669 3.320 ( 0.000 -0.823 0.000) 0.823 3.510 ( 0.000 6.323 0.000) 6.323 3.922 ( 0.000 8.499 0.000) 8.499 4.078 ( 0.000 -11.893 0.000) 11.893 4.491 ( 0.000 -16.619 0.000) 16.619 4.803 ( 0.000 -15.826 0.000) 15.826 4.835 ( 0.000 9.542 0.000) 9.542 4.859 ( 0.000 2.501 0.000) 2.501 4.909 ( 0.000 1.871 0.000) 1.871 5.289 ( 0.000 2.698 0.000) 2.698 5.376 ( 0.000 8.858 0.000) 8.858 5.575 ( 0.000 5.339 0.000) 5.339 5.712 ( 0.000 -1.574 0.000) 1.574 5.773 ( 0.000 -2.358 0.000) 2.358 5.827 ( 0.000 3.047 0.000) 3.047 5.911 ( 0.000 -0.827 0.000) 0.827 6.113 ( 0.000 6.648 0.000) 6.648 6.161 ( 0.000 3.656 0.000) 3.656 6.251 ( 0.000 5.706 0.000) 5.706 6.328 ( 0.000 4.129 0.000) 4.129 6.452 ( 0.000 6.452 0.000) 6.452 6.453 ( 0.000 5.508 0.000) 5.508 6.528 ( 0.000 0.683 0.000) 0.683 6.567 ( 0.000 4.895 0.000) 4.895 6.733 ( 0.000 3.297 0.000) 3.297 6.819 ( 0.000 7.646 0.000) 7.646 6.922 ( 0.000 5.338 0.000) 5.338 7.031 ( 0.000 4.284 0.000) 4.284 7.032 ( 0.000 -2.497 0.000) 2.497 7.103 ( 0.000 5.703 0.000) 5.703 7.142 ( 0.000 -7.610 0.000) 7.610 7.228 ( 0.000 -2.524 0.000) 2.524 7.261 ( 0.000 0.549 0.000) 0.549 7.447 ( 0.000 -0.567 0.000) 0.567 7.449 ( 0.000 -12.705 0.000) 12.705 7.628 ( 0.000 -2.340 0.000) 2.340 7.641 ( 0.000 6.286 0.000) 6.286 7.770 ( 0.000 -1.606 0.000) 1.606 7.798 ( 0.000 -4.146 0.000) 4.146 7.873 ( 0.000 8.056 0.000) 8.056 8.070 ( 0.000 0.690 0.000) 0.690 8.122 ( 0.000 -2.483 0.000) 2.483 8.292 ( 0.000 -1.333 0.000) 1.333 8.373 ( 0.000 -0.279 0.000) 0.279 8.393 ( 0.000 2.228 0.000) 2.228 8.457 ( 0.000 0.228 0.000) 0.228 8.550 ( 0.000 -2.577 0.000) 2.577 8.615 ( 0.000 -3.988 0.000) 3.988 8.866 ( 0.000 4.324 0.000) 4.324 8.882 ( 0.000 -1.120 0.000) 1.120 9.226 ( 0.000 -2.284 0.000) 2.284 9.248 ( 0.000 -0.710 0.000) 0.710 9.650 ( 0.000 -2.085 0.000) 2.085 9.715 ( 0.000 0.584 0.000) 0.584 9.820 ( 0.000 6.201 0.000) 6.201 9.869 ( 0.000 3.323 0.000) 3.323 10.057 ( 0.000 -2.273 0.000) 2.273 10.117 ( 0.000 -4.251 0.000) 4.251======================= Grid point 16 (11/56) =======================q-point: ( 0.20 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( -4.391 7.607 -0.807) 8.820 0.963 ( -0.525 10.643 -0.126) 10.657 1.112 ( 1.671 10.788 -0.662) 10.937 1.140 ( 0.952 11.895 -0.964) 11.971 1.268 ( -0.372 6.103 4.762) 7.750 1.286 ( -0.398 10.344 -0.003) 10.352 1.364 ( 1.540 8.524 -3.190) 9.230 1.424 ( -4.673 7.286 0.685) 8.683 1.466 ( -1.267 10.099 -0.300) 10.183 1.575 ( -5.076 6.630 -0.454) 8.363 1.580 ( -3.732 3.960 -1.281) 5.590 1.679 ( -3.472 3.980 3.192) 6.171 1.753 ( -3.726 4.446 1.726) 6.052 1.786 ( -0.043 6.528 -2.732) 7.077 1.844 ( -0.262 0.253 -1.521) 1.564 1.907 ( -1.929 3.596 -0.861) 4.170 2.059 ( 2.543 6.039 5.791) 8.745 2.088 ( -0.713 5.917 0.478) 5.979 2.099 ( 2.202 6.025 -0.824) 6.467 2.191 ( 3.040 5.642 -2.909) 7.038 2.376 ( 1.858 5.830 0.128) 6.120 2.520 ( 2.376 13.624 0.133) 13.830 2.523 ( 2.365 10.832 -1.236) 11.156 2.593 ( 5.978 3.180 1.323) 6.899 2.714 ( -2.200 5.840 -0.003) 6.241 2.835 ( 1.201 6.159 -1.619) 6.481 2.937 ( -0.811 0.522 2.070) 2.284 3.036 ( -2.872 4.666 -0.412) 5.494 3.107 ( 2.123 3.726 -1.982) 4.724 3.109 ( 1.284 11.301 0.278) 11.377 3.179 ( -1.020 5.660 -2.673) 6.342 3.227 ( 0.796 2.473 3.092) 4.038 3.318 ( -0.202 0.002 1.060) 1.079 3.486 ( -2.413 6.752 0.090) 7.171 3.916 ( -0.510 7.689 -0.321) 7.713 4.086 ( 0.683 -12.502 0.386) 12.527 4.520 ( 2.808 -16.163 -0.363) 16.409 4.796 ( -0.735 -9.350 4.272) 10.305 4.811 ( -0.625 1.610 -1.742) 2.453 4.904 ( 2.849 4.523 -2.340) 5.835 4.921 ( 1.203 1.678 3.030) 3.667 5.232 ( -4.664 3.892 -6.332) 8.775 5.422 ( 2.532 8.878 3.750) 9.965 5.552 ( -1.805 3.570 -0.357) 4.016 5.667 ( -2.081 2.199 -0.349) 3.048 5.799 ( 1.892 0.609 -0.551) 2.062 5.829 ( 0.239 1.506 -0.357) 1.566 5.939 ( 2.018 -1.257 0.449) 2.419 6.105 ( -0.920 4.352 -0.968) 4.552 6.148 ( -0.609 4.824 -1.068) 4.978 6.264 ( 1.348 5.004 -1.033) 5.284 6.336 ( 0.094 4.460 3.199) 5.489 6.379 ( -3.071 3.862 -3.111) 5.833 6.498 ( -0.223 2.240 3.300) 3.994 6.540 ( 2.157 4.876 -1.211) 5.467 6.591 ( 1.885 2.504 3.256) 4.519 6.749 ( 0.115 8.359 -0.597) 8.381 6.779 ( -3.066 4.603 -0.268) 5.537 6.933 ( 1.729 6.296 -1.361) 6.669 6.980 ( -2.375 1.632 -1.420) 3.213 7.049 ( -1.441 -3.045 5.048) 6.069 7.099 ( 0.630 2.202 -2.805) 3.621 7.163 ( 1.222 -3.290 0.348) 3.527 7.197 ( -2.067 -1.844 -2.560) 3.772 7.288 ( 1.543 1.448 1.848) 2.810 7.439 ( 0.317 -3.784 -6.067) 7.158 7.443 ( -1.540 -9.899 5.032) 11.211 7.557 ( -4.293 1.403 -0.957) 4.617 7.666 ( 0.581 0.017 0.299) 0.653 7.761 ( -0.955 -0.233 -1.120) 1.490 7.775 ( -0.817 -0.361 2.215) 2.388 7.939 ( 2.993 5.288 1.495) 6.258 8.067 ( 2.238 -1.368 -0.541) 2.678 8.145 ( 1.563 -0.593 -2.045) 2.642 8.288 ( -0.641 0.319 -0.063) 0.719 8.327 ( -3.047 -0.585 1.078) 3.285 8.422 ( 1.226 0.906 0.716) 1.684 8.475 ( 1.577 -0.340 -0.177) 1.623 8.543 ( -0.300 -1.916 -1.271) 2.319 8.617 ( -0.102 -4.377 0.849) 4.460 8.840 ( -2.018 3.312 1.923) 4.329 8.908 ( 2.006 -0.109 -1.781) 2.685 9.193 ( -2.953 -0.943 0.413) 3.127 9.216 ( -2.849 0.156 -0.438) 2.887 9.667 ( 1.479 -2.621 0.154) 3.013 9.747 ( 2.888 -0.030 -0.225) 2.897 9.826 ( 0.447 6.160 0.092) 6.177 9.868 ( -0.091 2.809 0.001) 2.810 10.064 ( 0.629 -2.432 1.100) 2.743 10.113 ( -0.380 -3.897 -0.978) 4.035======================= Grid point 17 (12/56) =======================q-point: ( 0.40 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( -1.852 4.740 -0.298) 5.098 0.974 ( 1.450 7.258 -0.590) 7.425 1.134 ( 0.732 9.920 -0.446) 9.957 1.148 ( -0.369 12.328 0.296) 12.337 1.245 ( -1.150 5.042 0.773) 5.228 1.268 ( -1.780 8.169 0.279) 8.366 1.335 ( -2.959 6.970 -0.146) 7.573 1.379 ( -0.289 9.341 0.579) 9.363 1.442 ( -1.033 10.741 -0.825) 10.822 1.476 ( -3.126 6.206 -1.666) 7.146 1.563 ( 0.639 4.819 1.139) 4.993 1.603 ( -2.940 3.884 0.348) 4.884 1.749 ( 0.647 5.088 3.415) 6.161 1.780 ( 0.950 7.357 -1.880) 7.653 1.830 ( -1.861 1.990 -1.454) 3.089 1.868 ( -1.176 0.864 -0.573) 1.567 2.052 ( -1.226 0.076 1.105) 1.652 2.121 ( 2.106 5.159 1.876) 5.880 2.139 ( 1.188 11.710 -0.337) 11.775 2.229 ( 1.129 7.687 -1.544) 7.921 2.408 ( 1.137 2.689 -0.145) 2.923 2.552 ( 1.869 9.038 0.462) 9.241 2.567 ( 1.110 8.812 -1.120) 8.952 2.675 ( -1.568 11.528 -0.272) 11.638 2.721 ( 6.605 8.357 2.277) 10.892 2.816 ( -3.108 9.089 -2.307) 9.879 2.939 ( 1.028 3.082 1.729) 3.680 2.982 ( -2.728 0.455 -0.077) 2.767 3.122 ( 0.854 9.163 -1.810) 9.379 3.133 ( -0.431 8.315 1.121) 8.402 3.183 ( 2.063 3.218 -3.882) 5.448 3.233 ( -0.603 5.626 3.109) 6.456 3.318 ( 0.004 0.047 1.237) 1.238 3.441 ( -1.807 8.133 -0.249) 8.335 3.907 ( -0.346 6.217 -0.230) 6.231 4.096 ( 0.266 -13.272 0.188) 13.276 4.568 ( 1.784 -15.429 -0.204) 15.534 4.799 ( 0.052 1.145 3.817) 3.985 4.804 ( 0.113 -8.163 -2.653) 8.584 4.943 ( 1.086 1.022 4.418) 4.663 4.960 ( 2.623 5.758 -1.446) 6.491 5.125 ( -4.808 4.021 -5.780) 8.526 5.424 ( -1.245 10.882 0.130) 10.953 5.572 ( 2.630 7.121 1.898) 7.825 5.644 ( -1.117 -1.102 0.264) 1.591 5.828 ( 0.773 2.869 -0.199) 2.978 5.835 ( 0.584 1.495 0.024) 1.605 5.961 ( 0.372 -1.424 -0.536) 1.566 6.085 ( -0.725 1.361 -0.480) 1.615 6.141 ( -0.168 5.310 -0.422) 5.329 6.280 ( 0.327 3.142 -1.859) 3.665 6.326 ( -1.059 4.386 0.083) 4.513 6.361 ( 0.879 3.650 2.079) 4.292 6.484 ( -0.945 2.815 0.133) 2.972 6.586 ( 2.408 2.670 0.231) 3.603 6.627 ( 1.252 4.958 -0.287) 5.122 6.697 ( -2.869 5.911 0.827) 6.622 6.747 ( -1.671 7.575 0.497) 7.773 6.945 ( -0.413 1.297 -1.370) 1.931 6.988 ( 2.425 7.178 -0.724) 7.611 7.018 ( -1.786 -5.163 2.722) 6.104 7.108 ( 0.408 2.219 -1.124) 2.520 7.154 ( -1.179 -1.343 -0.330) 1.817 7.179 ( -0.077 -4.246 -0.228) 4.252 7.308 ( 0.438 2.330 0.642) 2.456 7.418 ( -1.044 -14.129 0.690) 14.185 7.452 ( 1.625 1.110 -3.116) 3.685 7.497 ( -2.391 -0.727 1.293) 2.814 7.665 ( -0.294 -1.045 -0.146) 1.095 7.738 ( -0.919 1.657 -0.401) 1.937 7.776 ( 0.227 0.774 0.808) 1.142 7.959 ( 0.135 0.816 1.604) 1.805 8.154 ( 5.174 1.034 -2.243) 5.733 8.163 ( 1.262 0.562 -0.589) 1.502 8.246 ( -3.959 1.180 -0.681) 4.187 8.295 ( -0.776 -1.227 2.559) 2.942 8.431 ( -0.024 -0.461 -0.033) 0.463 8.497 ( 0.629 -0.380 -0.041) 0.736 8.548 ( 0.813 -0.589 -1.177) 1.547 8.609 ( -0.723 -5.314 0.940) 5.445 8.811 ( -1.069 3.697 0.783) 3.927 8.940 ( 1.373 -0.721 -0.930) 1.808 9.142 ( -2.181 0.802 0.890) 2.488 9.174 ( -1.148 1.273 -0.706) 1.854 9.691 ( 0.831 -3.187 0.104) 3.295 9.793 ( 1.665 -0.462 -0.224) 1.742 9.830 ( -0.027 6.839 0.102) 6.840 9.866 ( -0.077 1.209 0.019) 1.212 10.079 ( 0.621 -2.967 1.291) 3.295 10.103 ( -0.441 -2.998 -1.214) 3.264======================= Grid point 20 (13/56) =======================q-point: ( 0.00 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 0.000 6.290 0.000) 6.290 1.201 ( 0.000 9.075 0.000) 9.075 1.288 ( 0.000 6.656 0.000) 6.656 1.304 ( 0.000 -0.208 0.000) 0.208 1.334 ( 0.000 8.805 0.000) 8.805 1.468 ( 0.000 7.172 0.000) 7.172 1.549 ( 0.000 1.130 0.000) 1.130 1.561 ( 0.000 9.871 0.000) 9.871 1.641 ( 0.000 6.929 0.000) 6.929 1.728 ( 0.000 1.987 0.000) 1.987 1.779 ( 0.000 4.558 0.000) 4.558 1.786 ( 0.000 8.695 0.000) 8.695 1.829 ( 0.000 1.561 0.000) 1.561 1.860 ( 0.000 0.280 0.000) 0.280 1.921 ( 0.000 7.610 0.000) 7.610 1.969 ( 0.000 0.898 0.000) 0.898 2.063 ( 0.000 -2.292 0.000) 2.292 2.135 ( 0.000 2.778 0.000) 2.778 2.155 ( 0.000 -2.490 0.000) 2.490 2.238 ( 0.000 6.268 0.000) 6.268 2.450 ( 0.000 -3.733 0.000) 3.733 2.523 ( 0.000 5.932 0.000) 5.932 2.676 ( 0.000 -0.450 0.000) 0.450 2.715 ( 0.000 -2.366 0.000) 2.366 2.781 ( 0.000 -1.816 0.000) 1.816 2.830 ( 0.000 8.868 0.000) 8.868 2.887 ( 0.000 3.642 0.000) 3.642 3.032 ( 0.000 -4.246 0.000) 4.246 3.108 ( 0.000 -2.791 0.000) 2.791 3.235 ( 0.000 6.906 0.000) 6.906 3.303 ( 0.000 6.410 0.000) 6.410 3.396 ( 0.000 9.805 0.000) 9.805 3.459 ( 0.000 9.195 0.000) 9.195 3.738 ( 0.000 14.025 0.000) 14.025 3.850 ( 0.000 -10.133 0.000) 10.133 4.102 ( 0.000 8.490 0.000) 8.490 4.247 ( 0.000 -5.744 0.000) 5.744 4.600 ( 0.000 -3.477 0.000) 3.477 4.966 ( 0.000 3.372 0.000) 3.372 4.982 ( 0.000 8.306 0.000) 8.306 4.991 ( 0.000 6.307 0.000) 6.307 5.389 ( 0.000 6.602 0.000) 6.602 5.394 ( 0.000 -4.430 0.000) 4.430 5.511 ( 0.000 -5.388 0.000) 5.388 5.700 ( 0.000 -3.302 0.000) 3.302 5.850 ( 0.000 -1.079 0.000) 1.079 5.892 ( 0.000 12.228 0.000) 12.228 5.901 ( 0.000 1.348 0.000) 1.348 6.234 ( 0.000 5.522 0.000) 5.522 6.246 ( 0.000 4.756 0.000) 4.756 6.346 ( 0.000 3.759 0.000) 3.759 6.434 ( 0.000 -6.928 0.000) 6.928 6.441 ( 0.000 5.945 0.000) 5.945 6.546 ( 0.000 4.713 0.000) 4.713 6.612 ( 0.000 7.582 0.000) 7.582 6.709 ( 0.000 7.682 0.000) 7.682 6.766 ( 0.000 -2.880 0.000) 2.880 6.917 ( 0.000 -2.544 0.000) 2.544 6.953 ( 0.000 -2.021 0.000) 2.021 6.985 ( 0.000 -5.483 0.000) 5.483 7.013 ( 0.000 3.323 0.000) 3.323 7.120 ( 0.000 -1.000 0.000) 1.000 7.128 ( 0.000 2.029 0.000) 2.029 7.186 ( 0.000 -11.178 0.000) 11.178 7.281 ( 0.000 3.015 0.000) 3.015 7.301 ( 0.000 6.908 0.000) 6.908 7.455 ( 0.000 1.430 0.000) 1.430 7.550 ( 0.000 -5.315 0.000) 5.315 7.703 ( 0.000 -1.605 0.000) 1.605 7.770 ( 0.000 6.331 0.000) 6.331 7.825 ( 0.000 3.259 0.000) 3.259 8.003 ( 0.000 3.966 0.000) 3.966 8.089 ( 0.000 -0.364 0.000) 0.364 8.115 ( 0.000 3.440 0.000) 3.440 8.249 ( 0.000 -2.049 0.000) 2.049 8.367 ( 0.000 -1.543 0.000) 1.543 8.427 ( 0.000 -2.026 0.000) 2.026 8.439 ( 0.000 2.048 0.000) 2.048 8.500 ( 0.000 -2.272 0.000) 2.272 8.563 ( 0.000 -1.373 0.000) 1.373 8.864 ( 0.000 -0.847 0.000) 0.847 8.920 ( 0.000 0.722 0.000) 0.722 9.204 ( 0.000 0.476 0.000) 0.476 9.240 ( 0.000 0.290 0.000) 0.290 9.593 ( 0.000 -3.036 0.000) 3.036 9.653 ( 0.000 -4.320 0.000) 4.320 9.925 ( 0.000 2.546 0.000) 2.546 9.969 ( 0.000 2.154 0.000) 2.154 10.042 ( 0.000 2.755 0.000) 2.755 10.073 ( 0.000 0.810 0.000) 0.810======================= Grid point 21 (14/56) =======================q-point: ( 0.20 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.052 ( -5.076 6.095 -1.152) 8.015 1.147 ( -4.081 6.045 0.253) 7.298 1.290 ( 0.264 6.410 0.099) 6.416 1.311 ( 0.058 4.322 -0.396) 4.340 1.349 ( 0.103 5.569 1.141) 5.686 1.457 ( -1.323 6.519 -0.320) 6.660 1.542 ( -1.539 2.748 -0.116) 3.152 1.562 ( -0.022 9.619 -1.421) 9.724 1.612 ( -1.980 5.541 0.665) 5.922 1.688 ( -4.039 6.100 0.723) 7.352 1.718 ( -5.393 6.656 0.076) 8.567 1.742 ( -2.744 3.906 0.649) 4.817 1.815 ( -3.307 1.153 2.101) 4.084 1.840 ( 0.202 1.077 -2.254) 2.506 1.910 ( 1.389 6.470 -1.328) 6.749 1.959 ( -2.148 3.140 0.999) 3.933 2.077 ( 0.617 -0.437 1.181) 1.402 2.136 ( 1.152 2.372 2.314) 3.508 2.219 ( 3.284 0.123 -3.104) 4.520 2.280 ( 5.190 4.048 -2.927) 7.204 2.439 ( -0.570 0.978 3.137) 3.335 2.572 ( 2.460 -0.621 -1.543) 2.970 2.669 ( -2.591 -7.008 0.924) 7.528 2.696 ( 3.130 1.832 1.485) 3.919 2.793 ( 0.149 5.470 -1.336) 5.633 2.878 ( 4.700 -1.055 -1.210) 4.966 2.936 ( 2.800 6.866 -0.317) 7.422 3.047 ( 1.309 -1.322 1.869) 2.637 3.118 ( 1.569 -0.662 0.205) 1.715 3.237 ( 0.308 5.448 -0.698) 5.501 3.305 ( 0.027 6.379 0.991) 6.456 3.406 ( 1.210 10.147 -2.317) 10.479 3.453 ( -0.751 9.374 1.349) 9.500 3.721 ( -1.606 14.106 0.439) 14.204 3.846 ( -0.353 -10.717 0.287) 10.727 4.094 ( -1.018 9.095 -0.394) 9.160 4.276 ( 3.193 -6.503 -0.388) 7.255 4.596 ( -0.293 -3.751 0.367) 3.780 4.931 ( -1.953 5.154 -1.707) 5.770 4.984 ( 1.433 4.979 3.729) 6.384 5.049 ( 3.298 7.556 -1.492) 8.378 5.319 ( -4.129 3.380 -3.786) 6.543 5.455 ( 1.199 -4.949 4.610) 6.869 5.503 ( 1.052 -1.058 0.211) 1.506 5.712 ( 0.503 -1.202 -0.222) 1.322 5.852 ( -0.495 2.115 -0.512) 2.232 5.894 ( 2.144 0.753 -1.531) 2.740 5.928 ( 1.686 7.873 0.891) 8.101 6.194 ( -3.315 5.062 -0.886) 6.115 6.253 ( 0.078 5.095 -1.490) 5.309 6.340 ( -0.375 3.048 -1.737) 3.529 6.421 ( 0.111 -0.231 1.779) 1.797 6.483 ( 1.440 1.551 -0.665) 2.218 6.526 ( -2.323 5.859 0.668) 6.338 6.567 ( -0.539 4.939 2.969) 5.788 6.719 ( 0.655 2.777 0.315) 2.871 6.816 ( 2.876 0.861 -1.551) 3.379 6.877 ( -3.241 -4.109 0.518) 5.259 6.926 ( -2.242 1.309 -0.573) 2.659 6.981 ( -0.008 -4.013 0.619) 4.060 7.052 ( 2.740 2.132 -0.062) 3.472 7.081 ( -2.810 2.234 0.365) 3.609 7.130 ( -0.554 -1.116 2.424) 2.725 7.166 ( -1.948 -11.393 -1.279) 11.629 7.268 ( -0.793 4.225 -3.402) 5.483 7.344 ( 2.912 4.581 0.621) 5.464 7.449 ( -0.181 1.179 -0.460) 1.278 7.563 ( -0.076 -2.462 1.311) 2.790 7.658 ( -4.188 1.759 1.480) 4.778 7.686 ( -2.184 -2.268 -1.617) 3.540 7.874 ( -0.312 5.380 -0.141) 5.390 8.027 ( -1.691 3.395 2.657) 4.630 8.074 ( 4.788 0.482 -1.879) 5.167 8.160 ( 3.064 2.555 -2.124) 4.520 8.264 ( 1.007 -1.323 2.283) 2.824 8.351 ( -1.941 0.891 0.297) 2.156 8.397 ( -1.584 -2.811 -1.874) 3.731 8.465 ( 1.114 -0.513 1.493) 1.932 8.505 ( 0.730 -1.438 -0.597) 1.719 8.561 ( -0.216 -1.409 -0.065) 1.427 8.862 ( -0.382 -0.487 0.803) 1.014 8.917 ( -0.068 0.073 -0.686) 0.693 9.191 ( -1.222 1.134 0.221) 1.682 9.224 ( -1.431 0.969 -0.219) 1.742 9.605 ( 1.130 -3.161 -0.018) 3.357 9.669 ( 1.429 -4.763 -0.019) 4.972 9.929 ( 0.434 2.427 0.084) 2.467 9.965 ( -0.414 1.997 0.078) 2.041 10.050 ( 0.682 2.850 0.499) 2.972 10.075 ( 0.254 1.031 -0.565) 1.203======================= Grid point 22 (15/56) =======================q-point: ( 0.40 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.965 ( -3.149 5.493 -0.512) 6.353 1.093 ( -1.516 4.031 0.089) 4.308 1.290 ( -0.618 3.882 1.210) 4.113 1.295 ( -0.914 3.475 -1.638) 3.949 1.343 ( -0.304 7.010 0.464) 7.031 1.432 ( -0.745 7.369 -0.133) 7.407 1.477 ( -3.206 7.007 -0.233) 7.709 1.564 ( 0.111 7.868 -0.101) 7.870 1.587 ( -2.441 4.662 0.374) 5.275 1.627 ( -0.606 6.246 -0.346) 6.285 1.663 ( -0.839 7.237 0.317) 7.292 1.694 ( -1.687 5.183 0.489) 5.472 1.806 ( 0.928 1.851 3.137) 3.759 1.831 ( -0.770 1.208 -3.578) 3.854 1.928 ( -0.231 2.349 -0.780) 2.486 1.932 ( -0.104 5.544 0.816) 5.604 2.076 ( -0.303 5.820 0.762) 5.878 2.165 ( 1.001 0.173 1.014) 1.435 2.251 ( 0.891 0.497 -0.375) 1.087 2.371 ( 4.323 5.003 -6.144) 9.026 2.430 ( -1.484 1.022 5.621) 5.903 2.584 ( 0.131 -1.310 -2.337) 2.682 2.634 ( -1.132 -8.401 1.442) 8.599 2.780 ( 3.548 2.804 0.230) 4.528 2.815 ( 2.061 -1.219 1.543) 2.849 2.904 ( -1.323 -1.223 -2.374) 2.980 2.971 ( 1.196 5.510 -0.289) 5.645 3.069 ( 0.584 4.193 0.984) 4.346 3.166 ( 2.548 5.713 1.512) 6.435 3.239 ( -0.077 1.676 -1.556) 2.288 3.306 ( 0.002 5.323 0.714) 5.371 3.424 ( 0.992 10.598 -3.146) 11.099 3.438 ( -1.042 10.621 2.678) 11.002 3.696 ( -0.867 14.120 0.253) 14.148 3.841 ( -0.164 -11.512 0.156) 11.514 4.072 ( -0.856 9.014 -0.270) 9.059 4.336 ( 2.335 -6.502 -0.473) 6.924 4.595 ( 0.104 -4.214 0.380) 4.232 4.909 ( -0.420 4.080 -0.566) 4.141 5.027 ( 2.050 5.576 4.129) 7.235 5.093 ( 1.652 6.687 -2.695) 7.396 5.239 ( -3.263 7.170 -2.069) 8.145 5.441 ( -1.267 -8.939 0.815) 9.065 5.551 ( 1.777 -0.546 1.676) 2.503 5.708 ( -0.403 2.984 -0.044) 3.011 5.849 ( 0.178 1.624 -0.534) 1.719 5.922 ( 0.474 -1.995 -0.782) 2.194 5.964 ( 1.779 8.651 0.007) 8.832 6.135 ( -2.115 4.320 -0.453) 4.832 6.247 ( -0.276 4.974 -0.650) 5.023 6.335 ( 0.047 2.549 -1.228) 2.830 6.438 ( 0.876 2.515 2.207) 3.459 6.459 ( -1.121 8.117 -1.118) 8.270 6.507 ( -1.094 -1.128 1.475) 2.155 6.611 ( 2.820 4.230 0.319) 5.094 6.741 ( 1.963 0.727 0.185) 2.102 6.797 ( -3.377 -5.084 -0.678) 6.141 6.835 ( -1.529 7.040 -0.045) 7.204 6.924 ( 2.085 -1.444 -1.012) 2.731 6.982 ( -0.068 -3.321 0.469) 3.355 7.012 ( -3.533 4.834 1.683) 6.220 7.087 ( -0.430 -4.472 -0.095) 4.494 7.127 ( -1.085 -11.248 -0.682) 11.321 7.155 ( 3.269 1.908 2.429) 4.498 7.228 ( -2.993 3.163 -3.200) 5.404 7.384 ( 1.230 5.535 -0.058) 5.671 7.463 ( 1.679 0.037 -0.734) 1.833 7.520 ( -2.886 3.404 0.210) 4.468 7.619 ( -1.435 -3.096 0.473) 3.445 7.699 ( 2.772 -4.206 1.297) 5.202 7.823 ( -3.507 3.714 -1.345) 5.283 8.009 ( -0.357 3.882 1.389) 4.139 8.164 ( 3.504 -0.161 -1.636) 3.870 8.212 ( 2.820 3.107 -1.236) 4.374 8.279 ( -0.268 0.710 3.449) 3.532 8.303 ( -2.394 3.437 -0.238) 4.195 8.371 ( -0.842 -5.062 -1.521) 5.353 8.479 ( 0.404 -2.177 0.264) 2.230 8.525 ( 1.360 -0.730 -0.144) 1.550 8.550 ( -1.121 -1.253 0.174) 1.690 8.853 ( -0.453 0.588 0.454) 0.870 8.919 ( 0.246 -1.467 -0.484) 1.564 9.170 ( -0.897 2.290 0.433) 2.497 9.203 ( -0.540 1.882 -0.372) 1.993 9.624 ( 0.690 -3.349 -0.017) 3.420 9.691 ( 0.697 -5.352 0.004) 5.398 9.940 ( 0.737 2.180 -0.019) 2.301 9.954 ( -0.750 1.973 0.114) 2.114 10.062 ( 0.449 2.876 0.412) 2.940 10.079 ( 0.146 1.369 -0.456) 1.450======================= Grid point 25 (16/56) =======================q-point: ( 0.00 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.221 ( 0.000 1.859 0.000) 1.859 1.256 ( 0.000 -3.065 0.000) 3.065 1.261 ( 0.000 -0.739 0.000) 0.739 1.389 ( 0.000 4.018 0.000) 4.018 1.462 ( 0.000 3.158 0.000) 3.158 1.540 ( 0.000 -1.377 0.000) 1.377 1.593 ( 0.000 6.947 0.000) 6.947 1.701 ( 0.000 4.056 0.000) 4.056 1.705 ( 0.000 0.505 0.000) 0.505 1.786 ( 0.000 2.849 0.000) 2.849 1.841 ( 0.000 0.097 0.000) 0.097 1.867 ( 0.000 4.148 0.000) 4.148 1.895 ( 0.000 5.638 0.000) 5.638 1.905 ( 0.000 1.483 0.000) 1.483 1.981 ( 0.000 0.890 0.000) 0.890 2.007 ( 0.000 -1.932 0.000) 1.932 2.053 ( 0.000 -1.816 0.000) 1.816 2.104 ( 0.000 1.479 0.000) 1.479 2.173 ( 0.000 -0.198 0.000) 0.198 2.331 ( 0.000 5.441 0.000) 5.441 2.399 ( 0.000 0.466 0.000) 0.466 2.468 ( 0.000 -11.972 0.000) 11.972 2.626 ( 0.000 4.786 0.000) 4.786 2.634 ( 0.000 -3.172 0.000) 3.172 2.805 ( 0.000 -4.756 0.000) 4.756 2.943 ( 0.000 4.249 0.000) 4.249 2.963 ( 0.000 2.802 0.000) 2.802 2.977 ( 0.000 -2.257 0.000) 2.257 3.153 ( 0.000 7.704 0.000) 7.704 3.344 ( 0.000 3.618 0.000) 3.618 3.395 ( 0.000 2.692 0.000) 2.692 3.492 ( 0.000 0.626 0.000) 0.626 3.605 ( 0.000 5.862 0.000) 5.862 3.739 ( 0.000 -1.087 0.000) 1.087 4.001 ( 0.000 12.187 0.000) 12.187 4.220 ( 0.000 6.323 0.000) 6.323 4.276 ( 0.000 4.429 0.000) 4.429 4.667 ( 0.000 9.441 0.000) 9.441 4.934 ( 0.000 -8.083 0.000) 8.083 5.115 ( 0.000 6.136 0.000) 6.136 5.152 ( 0.000 8.239 0.000) 8.239 5.343 ( 0.000 1.353 0.000) 1.353 5.396 ( 0.000 -7.016 0.000) 7.016 5.502 ( 0.000 3.514 0.000) 3.514 5.669 ( 0.000 1.096 0.000) 1.096 5.855 ( 0.000 2.866 0.000) 2.866 5.976 ( 0.000 6.477 0.000) 6.477 6.078 ( 0.000 4.683 0.000) 4.683 6.275 ( 0.000 -6.196 0.000) 6.196 6.303 ( 0.000 -0.253 0.000) 0.253 6.333 ( 0.000 3.715 0.000) 3.715 6.413 ( 0.000 1.591 0.000) 1.591 6.499 ( 0.000 -0.131 0.000) 0.131 6.604 ( 0.000 -6.145 0.000) 6.145 6.657 ( 0.000 5.564 0.000) 5.564 6.714 ( 0.000 -2.780 0.000) 2.780 6.797 ( 0.000 -0.860 0.000) 0.860 6.851 ( 0.000 -5.364 0.000) 5.364 6.871 ( 0.000 0.039 0.000) 0.039 6.975 ( 0.000 1.004 0.000) 1.004 7.010 ( 0.000 -1.089 0.000) 1.089 7.029 ( 0.000 -1.090 0.000) 1.090 7.115 ( 0.000 -1.869 0.000) 1.869 7.135 ( 0.000 -2.125 0.000) 2.125 7.381 ( 0.000 6.256 0.000) 6.256 7.384 ( 0.000 1.135 0.000) 1.135 7.488 ( 0.000 1.313 0.000) 1.313 7.550 ( 0.000 6.414 0.000) 6.414 7.693 ( 0.000 -0.419 0.000) 0.419 7.865 ( 0.000 2.657 0.000) 2.657 7.889 ( 0.000 3.051 0.000) 3.051 8.020 ( 0.000 -1.499 0.000) 1.499 8.086 ( 0.000 -0.007 0.000) 0.007 8.184 ( 0.000 2.500 0.000) 2.500 8.253 ( 0.000 2.122 0.000) 2.122 8.299 ( 0.000 -3.192 0.000) 3.192 8.421 ( 0.000 0.459 0.000) 0.459 8.452 ( 0.000 -0.706 0.000) 0.706 8.486 ( 0.000 0.965 0.000) 0.965 8.543 ( 0.000 -0.895 0.000) 0.895 8.845 ( 0.000 -0.972 0.000) 0.972 8.899 ( 0.000 -2.272 0.000) 2.272 9.240 ( 0.000 2.587 0.000) 2.587 9.262 ( 0.000 1.703 0.000) 1.703 9.544 ( 0.000 -1.840 0.000) 1.840 9.577 ( 0.000 -3.181 0.000) 3.181 9.920 ( 0.000 -1.433 0.000) 1.433 9.950 ( 0.000 -1.996 0.000) 1.996 10.133 ( 0.000 4.316 0.000) 4.316 10.135 ( 0.000 3.767 0.000) 3.767======================= Grid point 26 (17/56) =======================q-point: ( 0.20 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -5.689 2.085 -1.126) 6.163 1.187 ( -3.375 0.215 -0.309) 3.396 1.312 ( 0.990 -1.843 1.648) 2.663 1.377 ( -1.877 2.371 -0.070) 3.025 1.455 ( -0.679 2.963 -0.087) 3.041 1.539 ( 0.368 -1.434 -0.011) 1.480 1.578 ( -1.537 6.328 -0.601) 6.540 1.675 ( -2.765 0.961 0.529) 2.974 1.697 ( -0.941 2.932 0.253) 3.090 1.780 ( -0.517 5.088 0.538) 5.143 1.805 ( -1.655 3.797 1.378) 4.365 1.842 ( -2.472 5.605 -2.763) 6.720 1.877 ( -1.343 2.058 -0.462) 2.501 1.906 ( 0.137 5.818 1.224) 5.947 1.956 ( -2.715 -0.928 1.129) 3.083 2.003 ( 0.891 2.388 1.541) 2.978 2.131 ( 5.311 0.925 -2.792) 6.071 2.152 ( 0.860 -1.532 -2.054) 2.703 2.173 ( 4.127 -3.921 0.285) 5.700 2.335 ( -0.210 5.194 1.232) 5.342 2.430 ( 3.004 -1.052 1.139) 3.381 2.468 ( -0.388 -9.310 -1.358) 9.416 2.593 ( -2.352 1.727 0.916) 3.059 2.663 ( 2.562 -1.475 0.605) 3.017 2.788 ( -1.000 -6.726 -1.422) 6.947 2.899 ( -2.306 2.790 -1.606) 3.960 3.014 ( 1.738 -0.062 2.686) 3.200 3.037 ( 5.714 0.328 -1.131) 5.834 3.189 ( 3.400 6.677 1.202) 7.589 3.335 ( -0.156 4.353 -1.727) 4.686 3.406 ( 0.527 3.092 1.336) 3.409 3.499 ( 0.602 0.261 -0.091) 0.663 3.608 ( 0.407 5.742 0.003) 5.757 3.726 ( -1.350 -1.104 -0.135) 1.749 3.983 ( -1.604 11.967 0.010) 12.074 4.236 ( -0.502 5.225 -0.492) 5.272 4.284 ( 2.717 5.975 0.522) 6.584 4.655 ( -0.962 8.984 0.054) 9.036 4.932 ( -0.341 -6.486 -0.241) 6.500 5.102 ( -0.224 6.192 2.345) 6.625 5.175 ( 1.525 4.756 -3.662) 6.193 5.331 ( -1.981 -0.312 1.904) 2.765 5.385 ( -0.237 -2.483 1.527) 2.925 5.520 ( 1.090 2.457 -0.883) 2.829 5.702 ( 3.217 0.965 0.306) 3.372 5.874 ( 1.894 2.607 -2.832) 4.290 5.953 ( -1.673 6.079 1.427) 6.465 6.091 ( 0.799 4.886 -0.224) 4.956 6.273 ( -2.872 1.176 -0.575) 3.157 6.291 ( 1.144 -4.406 -1.259) 4.723 6.349 ( 1.404 0.994 1.047) 2.014 6.396 ( -0.526 1.253 -0.549) 1.466 6.511 ( 0.407 -0.211 1.697) 1.758 6.596 ( -0.635 -5.502 -0.878) 5.608 6.664 ( -0.861 4.764 -1.109) 4.967 6.683 ( -0.778 4.159 2.487) 4.908 6.780 ( -1.122 -4.833 0.529) 4.990 6.844 ( -0.288 -6.666 -0.028) 6.673 6.893 ( 1.988 0.195 -0.253) 2.014 6.944 ( -2.329 0.447 -1.221) 2.667 7.009 ( -1.198 -0.652 0.120) 1.369 7.052 ( 0.667 -0.736 -0.279) 1.032 7.110 ( 0.689 -2.601 1.621) 3.141 7.142 ( 0.299 1.053 -1.208) 1.631 7.350 ( -2.655 2.666 0.227) 3.769 7.412 ( 1.815 2.478 -0.205) 3.078 7.476 ( -0.757 1.237 -0.224) 1.467 7.563 ( 0.942 4.584 2.008) 5.092 7.653 ( -3.471 -0.976 -2.211) 4.230 7.755 ( -4.494 6.324 0.549) 7.777 7.940 ( -2.607 0.390 -0.373) 2.663 8.063 ( 5.631 -1.410 -0.231) 5.809 8.082 ( 0.233 2.638 0.908) 2.799 8.208 ( 2.034 1.024 -0.898) 2.448 8.268 ( 1.140 1.373 1.614) 2.406 8.293 ( -0.318 -2.727 -1.098) 2.957 8.411 ( -1.197 1.544 0.048) 1.954 8.445 ( -0.719 -0.970 -0.204) 1.225 8.495 ( 0.816 0.007 0.467) 0.940 8.541 ( -0.186 -0.875 -0.472) 1.012 8.844 ( -0.004 -1.006 0.071) 1.008 8.894 ( -0.587 -2.128 0.175) 2.215 9.233 ( -0.588 2.650 -0.084) 2.715 9.255 ( -0.645 1.920 -0.019) 2.025 9.553 ( 0.873 -1.962 -0.010) 2.147 9.589 ( 1.056 -3.258 -0.001) 3.425 9.922 ( 0.137 -1.493 0.161) 1.507 9.950 ( -0.004 -1.852 -0.049) 1.853 10.138 ( 0.368 3.967 -0.088) 3.986 10.139 ( 0.440 3.996 0.044) 4.021======================= Grid point 27 (18/56) =======================q-point: ( 0.40 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( -2.686 4.550 -0.262) 5.290 1.129 ( -2.112 0.316 -0.242) 2.149 1.317 ( -0.094 -0.749 1.263) 1.471 1.332 ( -1.926 1.078 -0.920) 2.391 1.446 ( -0.224 3.120 -0.062) 3.128 1.545 ( 0.022 0.963 -0.359) 1.028 1.553 ( -0.843 3.175 0.506) 3.324 1.622 ( -1.924 1.483 -0.266) 2.444 1.687 ( -0.186 3.697 0.405) 3.724 1.762 ( -1.362 8.211 0.908) 8.372 1.798 ( -0.001 5.684 0.856) 5.748 1.805 ( -0.492 5.749 -1.598) 5.988 1.868 ( 0.303 4.160 -1.220) 4.345 1.906 ( -0.522 2.642 0.664) 2.773 1.921 ( -0.976 2.432 0.714) 2.716 2.016 ( 0.364 3.257 0.478) 3.312 2.145 ( -0.297 -1.881 0.818) 2.072 2.204 ( 2.797 -1.476 -1.129) 3.357 2.261 ( 2.365 0.996 -2.267) 3.424 2.343 ( 2.537 0.389 0.397) 2.597 2.420 ( -3.429 -9.155 -0.078) 9.777 2.503 ( 2.370 1.994 4.982) 5.866 2.554 ( -1.312 -0.084 -3.947) 4.160 2.721 ( 2.568 -4.432 2.330) 5.627 2.769 ( -0.844 -7.382 -2.589) 7.869 2.867 ( -0.851 0.668 -0.766) 1.325 3.031 ( 0.055 0.101 1.548) 1.553 3.119 ( 2.673 -0.115 -0.521) 2.726 3.242 ( 1.404 3.386 0.502) 3.700 3.347 ( 1.305 6.556 -0.643) 6.715 3.408 ( -0.393 4.042 0.465) 4.088 3.506 ( 0.131 -0.813 0.101) 0.830 3.624 ( 1.107 6.303 0.106) 6.401 3.696 ( -1.525 -2.006 -0.211) 2.528 3.958 ( -0.801 11.928 0.079) 11.956 4.213 ( -0.941 4.736 -0.233) 4.834 4.344 ( 2.291 6.697 -0.132) 7.080 4.644 ( -0.234 8.273 0.312) 8.282 4.922 ( -0.435 -4.189 -0.241) 4.218 5.128 ( 2.134 4.039 2.103) 5.029 5.186 ( 0.326 2.390 -1.659) 2.928 5.276 ( -3.322 -5.497 -0.517) 6.443 5.400 ( 0.857 7.633 1.916) 7.916 5.521 ( -0.405 -1.139 -1.271) 1.754 5.758 ( 1.920 1.888 0.370) 2.718 5.900 ( 1.325 3.539 -2.308) 4.428 5.938 ( -0.394 5.100 1.353) 5.291 6.096 ( -0.131 3.725 -0.072) 3.728 6.221 ( -1.889 2.063 -0.322) 2.816 6.299 ( 0.059 -1.065 -0.670) 1.260 6.366 ( 0.268 0.369 -0.687) 0.825 6.431 ( 3.608 -1.111 1.377) 4.018 6.497 ( -2.307 -0.846 0.599) 2.530 6.589 ( -0.083 -3.734 0.413) 3.758 6.625 ( -1.357 6.302 -0.191) 6.449 6.715 ( 1.657 3.301 0.262) 3.703 6.754 ( -1.008 -1.997 0.191) 2.245 6.859 ( 0.807 -10.406 -0.095) 10.438 6.895 ( -1.074 -1.268 0.417) 1.713 6.944 ( 2.387 1.832 -1.195) 3.238 6.980 ( -1.041 1.353 -0.957) 1.957 7.016 ( -3.575 -1.199 1.196) 3.956 7.121 ( -0.235 3.385 -0.139) 3.396 7.164 ( 1.802 -1.887 -0.022) 2.609 7.298 ( -2.169 1.931 0.273) 2.917 7.425 ( -0.348 -2.168 0.062) 2.196 7.487 ( 1.961 3.187 -1.218) 3.935 7.551 ( -2.560 -0.627 1.079) 2.848 7.619 ( 0.209 2.749 0.106) 2.759 7.717 ( -0.280 7.760 0.425) 7.776 7.874 ( -2.842 0.656 -1.204) 3.155 8.086 ( 0.200 3.710 0.881) 3.818 8.153 ( 2.791 -1.424 -0.130) 3.136 8.239 ( 1.034 -2.071 0.141) 2.319 8.282 ( 0.328 -0.526 0.534) 0.818 8.296 ( 0.535 0.246 -0.968) 1.133 8.382 ( -1.448 3.329 0.247) 3.639 8.434 ( -0.318 -1.905 -0.263) 1.949 8.510 ( 0.588 -0.937 0.437) 1.190 8.534 ( -0.431 -0.557 -0.419) 0.820 8.847 ( 0.162 -0.819 0.011) 0.835 8.883 ( -0.447 -2.095 0.127) 2.146 9.224 ( -0.335 2.830 0.037) 2.850 9.246 ( -0.250 2.165 -0.092) 2.181 9.567 ( 0.516 -2.187 -0.011) 2.247 9.605 ( 0.522 -3.353 0.007) 3.393 9.925 ( 0.112 -1.630 0.100) 1.637 9.950 ( -0.023 -1.571 -0.035) 1.571 10.144 ( 0.212 3.772 -0.019) 3.778 10.147 ( 0.285 3.998 -0.006) 4.008======================= Grid point 30 (19/56) =======================q-point: ( 0.00 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( 0.000 -2.760 0.000) 2.760 1.166 ( 0.000 -4.162 0.000) 4.162 1.351 ( 0.000 4.766 0.000) 4.766 1.415 ( 0.000 -1.399 0.000) 1.399 1.487 ( 0.000 0.572 0.000) 0.572 1.507 ( 0.000 -1.651 0.000) 1.651 1.712 ( 0.000 0.623 0.000) 0.623 1.723 ( 0.000 1.410 0.000) 1.410 1.738 ( 0.000 4.843 0.000) 4.843 1.823 ( 0.000 0.027 0.000) 0.027 1.858 ( 0.000 1.109 0.000) 1.109 1.873 ( 0.000 -2.463 0.000) 2.463 1.929 ( 0.000 0.032 0.000) 0.032 1.936 ( 0.000 -2.322 0.000) 2.322 2.001 ( 0.000 1.095 0.000) 1.095 2.011 ( 0.000 4.344 0.000) 4.344 2.045 ( 0.000 1.811 0.000) 1.811 2.093 ( 0.000 -2.790 0.000) 2.790 2.142 ( 0.000 0.386 0.000) 0.386 2.255 ( 0.000 -8.936 0.000) 8.936 2.477 ( 0.000 6.807 0.000) 6.807 2.488 ( 0.000 6.637 0.000) 6.637 2.585 ( 0.000 -2.289 0.000) 2.289 2.648 ( 0.000 -6.317 0.000) 6.317 2.754 ( 0.000 4.993 0.000) 4.993 2.884 ( 0.000 -6.863 0.000) 6.863 2.994 ( 0.000 0.898 0.000) 0.898 2.996 ( 0.000 0.974 0.000) 0.974 3.326 ( 0.000 7.398 0.000) 7.398 3.378 ( 0.000 0.460 0.000) 0.460 3.426 ( 0.000 1.439 0.000) 1.439 3.478 ( 0.000 -2.200 0.000) 2.200 3.694 ( 0.000 3.247 0.000) 3.247 3.733 ( 0.000 -0.789 0.000) 0.789 4.198 ( 0.000 7.598 0.000) 7.598 4.288 ( 0.000 -1.351 0.000) 1.351 4.430 ( 0.000 12.390 0.000) 12.390 4.700 ( 0.000 -14.089 0.000) 14.089 4.912 ( 0.000 13.975 0.000) 13.975 5.149 ( 0.000 -7.346 0.000) 7.346 5.266 ( 0.000 2.789 0.000) 2.789 5.278 ( 0.000 -0.894 0.000) 0.894 5.418 ( 0.000 4.801 0.000) 4.801 5.500 ( 0.000 -2.939 0.000) 2.939 5.776 ( 0.000 9.290 0.000) 9.290 5.973 ( 0.000 8.653 0.000) 8.653 5.985 ( 0.000 -10.587 0.000) 10.587 6.147 ( 0.000 10.274 0.000) 10.274 6.165 ( 0.000 -9.905 0.000) 9.905 6.274 ( 0.000 0.124 0.000) 0.124 6.380 ( 0.000 1.145 0.000) 1.145 6.418 ( 0.000 -1.320 0.000) 1.320 6.469 ( 0.000 -1.761 0.000) 1.761 6.513 ( 0.000 -10.295 0.000) 10.295 6.609 ( 0.000 4.177 0.000) 4.177 6.684 ( 0.000 -2.479 0.000) 2.479 6.794 ( 0.000 0.799 0.000) 0.799 6.808 ( 0.000 -1.038 0.000) 1.038 6.913 ( 0.000 3.698 0.000) 3.698 6.993 ( 0.000 -3.171 0.000) 3.171 7.008 ( 0.000 1.955 0.000) 1.955 7.029 ( 0.000 0.569 0.000) 0.569 7.079 ( 0.000 -1.699 0.000) 1.699 7.085 ( 0.000 -1.181 0.000) 1.181 7.426 ( 0.000 3.118 0.000) 3.118 7.477 ( 0.000 -0.770 0.000) 0.770 7.519 ( 0.000 5.660 0.000) 5.660 7.621 ( 0.000 -3.029 0.000) 3.029 7.731 ( 0.000 6.641 0.000) 6.641 7.851 ( 0.000 -4.231 0.000) 4.231 7.938 ( 0.000 1.904 0.000) 1.904 7.971 ( 0.000 -2.019 0.000) 2.019 8.119 ( 0.000 2.589 0.000) 2.589 8.170 ( 0.000 -2.575 0.000) 2.575 8.290 ( 0.000 1.194 0.000) 1.194 8.293 ( 0.000 0.887 0.000) 0.887 8.430 ( 0.000 0.532 0.000) 0.532 8.440 ( 0.000 -0.469 0.000) 0.469 8.508 ( 0.000 1.051 0.000) 1.051 8.526 ( 0.000 -0.838 0.000) 0.838 8.833 ( 0.000 0.004 0.000) 0.004 8.853 ( 0.000 -1.977 0.000) 1.977 9.284 ( 0.000 1.493 0.000) 1.493 9.291 ( 0.000 0.789 0.000) 0.789 9.523 ( 0.000 -0.277 0.000) 0.277 9.533 ( 0.000 -1.346 0.000) 1.346 9.901 ( 0.000 -0.254 0.000) 0.254 9.914 ( 0.000 -1.463 0.000) 1.463 10.189 ( 0.000 1.509 0.000) 1.509 10.190 ( 0.000 1.411 0.000) 1.411======================= Grid point 31 (20/56) =======================q-point: ( 0.20 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( -1.388 -0.753 0.415) 1.632 1.163 ( -0.908 -3.394 0.326) 3.529 1.330 ( -1.656 3.308 0.118) 3.701 1.382 ( -2.862 -1.514 -0.476) 3.273 1.483 ( -0.274 0.792 -0.193) 0.860 1.506 ( 0.025 -1.630 0.003) 1.630 1.670 ( -3.575 2.229 1.030) 4.338 1.692 ( -2.737 0.179 -0.700) 2.830 1.740 ( 0.199 3.627 0.724) 3.704 1.818 ( -0.954 -2.936 -0.022) 3.087 1.880 ( 1.981 4.840 -0.001) 5.230 1.895 ( 1.416 2.632 1.080) 3.178 1.942 ( 0.739 -1.558 0.119) 1.729 1.958 ( 2.190 2.265 -1.185) 3.366 2.009 ( 1.037 2.934 -1.125) 3.308 2.022 ( 1.677 -2.114 -0.517) 2.747 2.057 ( 1.443 1.177 0.616) 1.962 2.110 ( 0.945 -3.003 0.242) 3.158 2.137 ( -0.197 0.652 1.386) 1.544 2.257 ( -0.326 -9.092 -1.516) 9.224 2.476 ( 0.829 5.241 1.799) 5.603 2.510 ( 1.869 6.991 -4.471) 8.507 2.576 ( -1.058 -2.796 5.117) 5.926 2.643 ( 0.538 -5.532 -6.681) 8.690 2.727 ( -2.890 4.782 2.337) 6.057 2.855 ( -3.029 -6.466 1.513) 7.299 3.016 ( 1.608 0.905 0.603) 1.941 3.033 ( 3.513 -0.642 -0.609) 3.623 3.321 ( -0.217 5.912 -0.189) 5.919 3.390 ( 0.904 -0.127 -0.383) 0.990 3.437 ( 1.092 1.698 0.197) 2.029 3.480 ( 0.133 -1.781 0.930) 2.014 3.690 ( -0.337 3.042 -0.200) 3.067 3.726 ( -0.753 -0.516 -0.225) 0.940 4.177 ( -1.661 7.625 -0.490) 7.819 4.270 ( -1.590 -1.655 -0.540) 2.358 4.474 ( 3.830 12.166 1.530) 12.846 4.725 ( 2.082 -12.753 1.650) 13.027 4.895 ( -1.585 13.944 -0.101) 14.034 5.140 ( -1.026 -8.271 -0.073) 8.335 5.230 ( -2.427 1.931 -1.250) 3.343 5.252 ( -2.414 -0.425 -1.533) 2.891 5.451 ( 2.798 4.752 1.052) 5.614 5.525 ( 1.904 -2.405 -0.473) 3.104 5.796 ( 2.088 8.945 -0.108) 9.186 5.970 ( 0.446 2.375 -3.256) 4.055 6.006 ( 1.503 -3.182 4.004) 5.331 6.138 ( -1.257 -0.579 -4.287) 4.505 6.156 ( -0.958 0.274 3.928) 4.052 6.281 ( 0.573 -1.374 0.112) 1.493 6.373 ( -0.461 0.475 -1.232) 1.398 6.391 ( -1.505 -2.301 -1.473) 3.119 6.487 ( 1.600 0.189 1.234) 2.030 6.567 ( 4.394 -7.531 0.683) 8.746 6.609 ( 0.056 3.273 0.403) 3.298 6.677 ( -0.599 -2.618 0.680) 2.770 6.788 ( -1.953 0.699 1.518) 2.570 6.794 ( 0.413 1.224 0.655) 1.449 6.919 ( -0.217 2.281 -1.368) 2.669 6.956 ( -2.756 0.272 -0.440) 2.804 7.013 ( -0.051 -1.469 0.045) 1.471 7.030 ( 0.137 -1.654 0.529) 1.742 7.077 ( 2.242 2.039 -0.198) 3.037 7.131 ( 2.173 -2.165 -1.356) 3.353 7.388 ( -4.174 2.611 0.708) 4.974 7.438 ( -3.849 -1.495 0.787) 4.204 7.523 ( 0.521 4.067 -0.820) 4.182 7.593 ( -2.449 -2.449 -0.949) 3.591 7.722 ( -0.648 7.130 -0.211) 7.162 7.835 ( -0.610 -2.006 0.056) 2.098 7.926 ( -1.743 2.519 0.515) 3.106 8.011 ( 3.485 -4.102 1.769) 5.666 8.139 ( 1.691 2.825 -0.820) 3.393 8.184 ( 1.240 -1.984 -1.132) 2.599 8.289 ( -0.163 0.840 0.009) 0.856 8.293 ( 0.175 0.488 0.448) 0.685 8.426 ( -0.454 0.483 -0.454) 0.803 8.436 ( -0.718 -0.350 0.273) 0.844 8.504 ( -0.148 0.928 -0.016) 0.940 8.524 ( -0.206 -0.958 -0.181) 0.997 8.832 ( -0.021 0.030 0.129) 0.134 8.851 ( -0.253 -1.845 0.244) 1.879 9.276 ( -0.617 1.474 -0.077) 1.600 9.284 ( -0.579 0.715 -0.024) 0.921 9.532 ( 0.801 -0.198 0.007) 0.825 9.544 ( 0.964 -1.425 -0.017) 1.721 9.902 ( 0.111 -0.245 0.091) 0.284 9.915 ( 0.123 -1.449 -0.015) 1.454 10.192 ( 0.307 1.510 -0.010) 1.541 10.194 ( 0.344 1.366 -0.010) 1.408======================= Grid point 32 (21/56) =======================q-point: ( 0.40 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( -0.081 0.885 0.882) 1.252 1.134 ( -1.787 -0.425 -0.441) 1.889 1.310 ( -0.433 1.032 0.311) 1.162 1.337 ( -1.540 -0.829 -0.552) 1.834 1.479 ( -0.126 1.016 -0.100) 1.029 1.508 ( 0.138 -2.138 -0.030) 2.143 1.619 ( -1.669 2.384 0.716) 2.997 1.643 ( -1.787 0.060 -0.646) 1.901 1.744 ( 0.092 2.653 0.515) 2.704 1.799 ( -0.763 -2.755 0.135) 2.862 1.907 ( 0.892 4.339 -0.399) 4.448 1.915 ( 0.411 3.786 0.152) 3.811 1.959 ( 0.714 5.376 1.293) 5.576 1.975 ( 0.348 6.414 -1.971) 6.719 2.027 ( 1.393 3.023 -0.432) 3.356 2.056 ( -0.022 1.713 0.853) 1.914 2.098 ( -0.268 -3.213 2.531) 4.099 2.125 ( 4.898 -6.042 -3.114) 8.378 2.146 ( 0.450 -3.091 1.037) 3.291 2.217 ( -4.006 -8.894 -0.081) 9.755 2.515 ( 1.643 1.950 1.596) 3.008 2.539 ( 2.900 8.507 -5.455) 10.513 2.571 ( -0.659 -1.137 4.495) 4.683 2.647 ( -0.459 -3.920 -5.292) 6.602 2.677 ( -1.306 1.435 1.891) 2.709 2.799 ( -2.600 -7.467 1.934) 8.140 3.039 ( 0.612 1.734 0.426) 1.888 3.085 ( 1.681 -2.520 -0.302) 3.044 3.324 ( 0.389 4.433 -0.394) 4.467 3.399 ( 0.065 -2.200 -0.143) 2.205 3.460 ( 1.067 2.093 0.194) 2.357 3.483 ( -0.055 -0.397 0.835) 0.926 3.687 ( 0.139 2.012 -0.072) 2.018 3.709 ( -0.902 0.422 -0.318) 1.045 4.153 ( -0.738 7.619 -0.074) 7.655 4.245 ( -0.814 -1.574 -0.132) 1.777 4.536 ( 1.974 11.400 0.448) 11.578 4.758 ( 0.989 -10.834 0.791) 10.908 4.870 ( -0.742 13.479 0.145) 13.501 5.116 ( -1.121 -9.846 -0.337) 9.915 5.199 ( -0.681 1.176 -0.435) 1.427 5.213 ( -1.254 0.398 -0.510) 1.411 5.504 ( 2.496 3.316 0.809) 4.228 5.540 ( -0.430 0.506 -0.945) 1.155 5.837 ( 1.686 8.025 -0.062) 8.200 5.983 ( 1.052 2.560 -1.304) 3.059 6.045 ( 2.026 -1.884 3.804) 4.703 6.096 ( -2.319 -6.006 -3.514) 7.334 6.136 ( -1.360 4.859 1.264) 5.202 6.287 ( 0.031 -4.544 -0.031) 4.545 6.366 ( -0.021 -0.132 -0.445) 0.465 6.371 ( -0.495 -2.211 -0.813) 2.408 6.525 ( 1.847 4.327 0.596) 4.742 6.608 ( -0.064 3.260 0.746) 3.345 6.645 ( 3.416 -6.234 -1.067) 7.188 6.675 ( -0.128 -4.331 1.885) 4.725 6.749 ( -2.096 4.250 0.584) 4.775 6.810 ( 0.733 0.353 0.469) 0.939 6.887 ( -1.787 1.027 -0.654) 2.162 6.926 ( -0.652 -1.904 -0.562) 2.089 7.018 ( 0.793 1.080 -0.554) 1.450 7.032 ( -0.512 0.848 0.740) 1.236 7.124 ( 2.211 0.012 -0.701) 2.319 7.151 ( 0.372 -1.075 -1.116) 1.593 7.307 ( -3.352 1.345 1.009) 3.750 7.366 ( -3.067 -3.671 0.765) 4.844 7.535 ( 0.831 1.910 -0.851) 2.250 7.555 ( -1.423 -0.021 -0.021) 1.423 7.716 ( 0.046 6.392 0.016) 6.392 7.828 ( -0.326 -3.855 -0.273) 3.878 7.905 ( -0.413 8.781 0.091) 8.792 8.065 ( 1.673 -6.800 1.429) 7.147 8.157 ( 0.328 3.044 -0.617) 3.123 8.202 ( 0.734 -1.401 -0.835) 1.788 8.289 ( 0.067 0.395 0.154) 0.429 8.298 ( 0.196 -0.313 0.418) 0.558 8.415 ( -0.443 0.113 -0.585) 0.743 8.419 ( -0.827 0.270 0.231) 0.900 8.505 ( 0.083 0.546 -0.013) 0.552 8.521 ( -0.077 -0.824 -0.092) 0.833 8.834 ( 0.139 -0.197 0.046) 0.245 8.846 ( -0.253 -1.414 0.202) 1.451 9.267 ( -0.286 1.420 -0.034) 1.449 9.275 ( -0.274 0.630 -0.025) 0.687 9.544 ( 0.436 -0.132 0.001) 0.456 9.559 ( 0.492 -1.510 -0.008) 1.588 9.904 ( 0.075 -0.241 0.055) 0.258 9.917 ( 0.075 -1.417 -0.009) 1.419 10.197 ( 0.191 1.508 -0.006) 1.520 10.200 ( 0.210 1.298 -0.006) 1.315======================= Grid point 65 (22/56) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.315 ( 0.959 0.000 14.177) 14.209 0.443 ( -2.330 0.000 19.607) 19.745 0.497 ( 3.031 0.000 13.191) 13.535 0.618 ( 0.212 0.000 -4.309) 4.314 0.785 ( 1.977 0.000 -12.274) 12.432 0.876 ( -2.188 0.000 -9.409) 9.660 1.023 ( -0.231 0.000 0.758) 0.792 1.033 ( -1.715 0.000 -10.649) 10.786 1.109 ( 1.894 0.000 -0.803) 2.057 1.128 ( -2.598 0.000 10.848) 11.155 1.186 ( -2.736 0.000 1.152) 2.968 1.323 ( 1.556 0.000 -1.669) 2.282 1.398 ( 3.509 0.000 -1.337) 3.755 1.469 ( 4.844 0.000 8.618) 9.886 1.500 ( -2.113 0.000 1.986) 2.900 1.631 ( 1.814 0.000 -2.403) 3.011 1.682 ( 9.175 0.000 -4.865) 10.385 1.712 ( -1.776 0.000 -4.968) 5.276 1.799 ( -0.400 0.000 0.115) 0.416 1.856 ( -0.247 0.000 1.347) 1.370 1.961 ( -3.564 0.000 4.341) 5.617 2.079 ( -0.337 0.000 0.475) 0.583 2.137 ( -3.581 0.000 -4.386) 5.662 2.144 ( 0.108 0.000 0.271) 0.292 2.207 ( 4.638 0.000 -6.986) 8.385 2.322 ( -0.023 0.000 -0.141) 0.143 2.479 ( 0.688 0.000 -2.716) 2.802 2.718 ( 1.549 0.000 1.956) 2.495 2.929 ( -4.100 0.000 9.586) 10.426 3.021 ( 0.710 0.000 -0.557) 0.902 3.304 ( -3.669 0.000 0.124) 3.671 3.452 ( 4.342 0.000 -4.264) 6.085 3.549 ( -0.002 0.000 0.050) 0.050 3.688 ( -9.401 0.000 4.555) 10.446 3.721 ( 0.026 0.000 -0.269) 0.270 3.788 ( 5.491 0.000 0.099) 5.492 3.894 ( 0.670 0.000 -2.765) 2.845 4.455 ( -0.641 0.000 -1.172) 1.336 4.689 ( -0.037 0.000 -0.024) 0.044 4.861 ( -2.234 0.000 1.812) 2.877 4.991 ( -2.216 0.000 3.359) 4.024 5.080 ( 4.870 0.000 0.982) 4.968 5.232 ( 0.045 0.000 0.138) 0.145 5.555 ( 1.419 0.000 0.938) 1.701 5.681 ( -0.345 0.000 1.308) 1.353 5.781 ( 4.226 0.000 -1.986) 4.670 5.828 ( -2.567 0.000 -4.614) 5.280 5.906 ( 0.637 0.000 -1.388) 1.527 5.939 ( -1.645 0.000 -3.324) 3.709 6.012 ( -0.197 0.000 0.198) 0.280 6.153 ( -7.248 0.000 -0.210) 7.251 6.330 ( -0.097 0.000 -0.115) 0.150 6.386 ( -1.464 0.000 11.996) 12.085 6.449 ( -0.763 0.000 -0.838) 1.134 6.456 ( 0.854 0.000 -0.281) 0.899 6.521 ( 0.828 0.000 0.074) 0.831 6.643 ( 0.063 0.000 -9.206) 9.206 6.686 ( 1.018 0.000 0.354) 1.078 6.701 ( -1.047 0.000 0.654) 1.234 6.726 ( 6.115 0.000 6.631) 9.020 6.871 ( -1.484 0.000 -6.035) 6.214 6.998 ( 2.552 0.000 1.468) 2.944 7.151 ( -0.192 0.000 -0.330) 0.382 7.176 ( 4.376 0.000 0.600) 4.417 7.196 ( -1.315 0.000 -0.199) 1.330 7.369 ( 0.026 0.000 -0.223) 0.224 7.427 ( 0.148 0.000 0.206) 0.253 7.595 ( 2.463 0.000 -0.489) 2.511 7.613 ( -1.619 0.000 0.278) 1.643 7.916 ( -0.119 0.000 1.994) 1.997 8.084 ( -0.050 0.000 -0.585) 0.587 8.091 ( -0.123 0.000 -0.713) 0.724 8.126 ( 0.032 0.000 0.506) 0.507 8.281 ( 1.518 0.000 0.639) 1.647 8.302 ( -9.697 0.000 0.903) 9.739 8.327 ( 3.967 0.000 -1.152) 4.131 8.339 ( 6.149 0.000 0.216) 6.153 8.422 ( -1.155 0.000 -1.866) 2.194 8.567 ( -0.330 0.000 -0.418) 0.533 8.753 ( 2.009 0.000 1.396) 2.446 8.830 ( -0.462 0.000 -0.594) 0.752 8.936 ( 0.008 0.000 -0.028) 0.029 8.941 ( -0.007 0.000 0.031) 0.032 9.129 ( -1.436 0.000 0.170) 1.446 9.452 ( 0.199 0.000 -0.269) 0.335 9.502 ( 0.212 0.000 0.121) 0.244 9.855 ( 0.159 0.000 0.722) 0.739 9.990 ( -0.408 0.000 -0.846) 0.939 10.362 ( -0.115 0.000 0.203) 0.233 10.405 ( -1.338 0.000 0.104) 1.342======================= Grid point 66 (23/56) =======================q-point: ( 0.20 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.419 ( 9.163 0.000 8.487) 12.490 0.532 ( 7.791 0.000 13.815) 15.860 0.540 ( -1.476 0.000 -8.442) 8.570 0.721 ( 5.959 0.000 -4.378) 7.394 0.823 ( 3.261 0.000 -9.704) 10.237 0.856 ( 3.404 0.000 1.477) 3.710 0.986 ( -8.775 0.000 0.863) 8.817 1.011 ( 1.159 0.000 -6.629) 6.729 1.037 ( -0.439 0.000 -0.149) 0.464 1.140 ( -1.811 0.000 -0.343) 1.843 1.166 ( 4.819 0.000 6.330) 7.955 1.397 ( 0.096 0.000 -1.829) 1.831 1.408 ( -1.609 0.000 1.625) 2.287 1.486 ( 3.242 0.000 1.832) 3.724 1.580 ( 7.554 0.000 8.528) 11.393 1.672 ( -0.659 0.000 -4.344) 4.393 1.675 ( 2.903 0.000 -2.096) 3.580 1.753 ( -0.299 0.000 -5.670) 5.678 1.770 ( -2.380 0.000 0.920) 2.552 1.846 ( -8.762 0.000 1.233) 8.849 1.872 ( 1.175 0.000 1.185) 1.669 2.069 ( -1.094 0.000 -1.540) 1.889 2.146 ( 0.085 0.000 0.053) 0.100 2.208 ( 5.077 0.000 -1.632) 5.333 2.275 ( 2.401 0.000 -5.257) 5.780 2.318 ( -0.319 0.000 -0.077) 0.329 2.485 ( 0.562 0.000 -6.685) 6.709 2.698 ( -2.336 0.000 -0.191) 2.343 2.883 ( -3.181 0.000 7.503) 8.150 2.994 ( -3.280 0.000 1.422) 3.575 3.349 ( 4.100 0.000 1.305) 4.303 3.427 ( -6.363 0.000 -1.318) 6.498 3.538 ( -0.808 0.000 -3.768) 3.854 3.549 ( 0.020 0.000 0.045) 0.049 3.764 ( 4.243 0.000 -0.280) 4.252 3.896 ( -0.429 0.000 -1.212) 1.286 3.959 ( 8.167 0.000 0.778) 8.204 4.491 ( 3.744 0.000 0.146) 3.746 4.665 ( -2.147 0.000 0.062) 2.148 4.849 ( 0.500 0.000 4.749) 4.775 4.964 ( -0.880 0.000 5.050) 5.126 5.175 ( 4.439 0.000 -5.231) 6.860 5.270 ( 3.560 0.000 0.036) 3.561 5.570 ( -0.465 0.000 -1.348) 1.425 5.662 ( -1.841 0.000 1.545) 2.403 5.739 ( -3.617 0.000 0.368) 3.636 5.835 ( -7.186 0.000 -1.386) 7.319 5.895 ( 4.511 0.000 -4.258) 6.203 5.921 ( 2.742 0.000 -0.774) 2.849 6.008 ( -0.003 0.000 0.017) 0.017 6.181 ( 4.827 0.000 5.410) 7.251 6.329 ( 0.014 0.000 0.145) 0.146 6.373 ( -1.656 0.000 12.156) 12.269 6.378 ( -3.112 0.000 -0.726) 3.196 6.513 ( 3.606 0.000 1.703) 3.988 6.587 ( -3.880 0.000 -9.960) 10.689 6.629 ( 5.928 0.000 -0.489) 5.949 6.670 ( -0.728 0.000 -0.077) 0.732 6.714 ( 0.833 0.000 1.121) 1.396 6.822 ( 0.705 0.000 -3.332) 3.405 6.910 ( 8.203 0.000 -2.279) 8.514 7.016 ( 0.551 0.000 -0.592) 0.808 7.148 ( -2.294 0.000 -2.186) 3.169 7.151 ( 0.228 0.000 0.063) 0.237 7.283 ( 3.687 0.000 -4.795) 6.048 7.340 ( -2.059 0.000 -1.821) 2.748 7.429 ( 0.042 0.000 -0.094) 0.103 7.557 ( -3.161 0.000 0.101) 3.163 7.635 ( 0.756 0.000 -0.551) 0.936 7.894 ( -2.805 0.000 1.745) 3.303 8.052 ( -3.212 0.000 1.968) 3.767 8.086 ( 0.292 0.000 -0.438) 0.526 8.086 ( -9.488 0.000 3.618) 10.155 8.127 ( -0.015 0.000 0.402) 0.402 8.253 ( -2.428 0.000 5.384) 5.906 8.367 ( -2.328 0.000 -2.932) 3.743 8.382 ( 0.054 0.000 -5.384) 5.384 8.469 ( 5.884 0.000 1.003) 5.969 8.567 ( 0.166 0.000 0.600) 0.622 8.734 ( -1.712 0.000 -1.172) 2.075 8.847 ( 1.407 0.000 0.198) 1.421 8.936 ( 0.027 0.000 -0.037) 0.045 8.941 ( -0.000 0.000 0.038) 0.038 9.030 ( -5.470 0.000 2.682) 6.093 9.512 ( 2.908 0.000 -0.638) 2.977 9.534 ( 1.993 0.000 -0.995) 2.228 9.879 ( 2.694 0.000 0.327) 2.714 10.085 ( 7.252 0.000 -3.156) 7.909 10.332 ( -2.723 0.000 0.386) 2.750 10.349 ( -3.496 0.000 3.033) 4.628======================= Grid point 67 (24/56) =======================q-point: ( 0.40 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.461 ( -5.191 0.000 -1.596) 5.431 0.593 ( 7.389 0.000 -9.962) 12.404 0.696 ( 6.576 0.000 6.929) 9.552 0.781 ( 3.742 0.000 -6.097) 7.153 0.812 ( -3.687 0.000 -0.705) 3.754 0.859 ( -2.251 0.000 -6.403) 6.787 0.889 ( -0.272 0.000 -3.719) 3.729 1.043 ( 0.095 0.000 0.031) 0.100 1.092 ( 3.376 0.000 3.153) 4.619 1.097 ( -2.400 0.000 1.036) 2.614 1.216 ( -0.204 0.000 2.792) 2.800 1.361 ( -0.994 0.000 -3.792) 3.920 1.441 ( 3.293 0.000 5.702) 6.585 1.561 ( 2.830 0.000 0.477) 2.870 1.670 ( -0.399 0.000 2.104) 2.141 1.681 ( -4.930 0.000 7.776) 9.207 1.714 ( -0.003 0.000 0.767) 0.767 1.730 ( -0.490 0.000 -0.267) 0.558 1.768 ( 7.912 0.000 0.632) 7.937 1.817 ( 9.971 0.000 -3.002) 10.413 1.891 ( 0.642 0.000 0.925) 1.126 1.963 ( -11.324 0.000 0.012) 11.324 2.146 ( -0.059 0.000 -0.059) 0.083 2.222 ( -2.219 0.000 -1.973) 2.969 2.288 ( 0.961 0.000 0.572) 1.118 2.313 ( -0.183 0.000 -0.038) 0.187 2.478 ( -0.391 0.000 -11.333) 11.340 2.674 ( -1.055 0.000 -2.488) 2.702 2.848 ( 0.088 0.000 3.697) 3.698 2.945 ( -1.590 0.000 2.923) 3.327 3.244 ( -7.322 0.000 5.480) 9.146 3.441 ( 1.008 0.000 -1.609) 1.899 3.550 ( 0.012 0.000 0.041) 0.042 3.586 ( 4.904 0.000 -8.128) 9.493 3.840 ( 2.923 0.000 -0.299) 2.938 3.865 ( -1.957 0.000 -1.099) 2.245 4.064 ( 2.878 0.000 1.732) 3.359 4.555 ( 2.339 0.000 1.174) 2.617 4.632 ( -1.131 0.000 0.143) 1.140 4.871 ( 0.624 0.000 4.888) 4.927 4.971 ( 0.347 0.000 7.021) 7.029 5.220 ( 1.554 0.000 -7.679) 7.835 5.332 ( 2.275 0.000 -0.083) 2.276 5.549 ( -0.935 0.000 -2.863) 3.012 5.628 ( -1.532 0.000 2.138) 2.630 5.695 ( -1.873 0.000 1.725) 2.546 5.711 ( -4.379 0.000 -1.727) 4.708 5.901 ( -0.613 0.000 -0.883) 1.075 6.009 ( -0.017 0.000 0.079) 0.081 6.034 ( 6.299 0.000 -3.123) 7.031 6.235 ( -1.612 0.000 6.514) 6.711 6.332 ( 0.186 0.000 0.156) 0.242 6.345 ( -0.633 0.000 -1.046) 1.222 6.389 ( 2.833 0.000 9.982) 10.376 6.509 ( -1.873 0.000 -4.130) 4.535 6.576 ( 1.922 0.000 2.165) 2.895 6.641 ( -0.652 0.000 -0.503) 0.823 6.719 ( 0.406 0.000 1.650) 1.699 6.729 ( 2.245 0.000 -0.639) 2.334 6.823 ( 0.856 0.000 -7.367) 7.416 6.982 ( -0.219 0.000 -0.298) 0.369 7.085 ( 2.304 0.000 -1.725) 2.878 7.131 ( 4.075 0.000 -1.952) 4.519 7.157 ( 0.325 0.000 0.386) 0.504 7.238 ( -4.238 0.000 -3.687) 5.617 7.336 ( -1.489 0.000 -2.189) 2.648 7.428 ( -0.108 0.000 -0.334) 0.351 7.507 ( -1.882 0.000 1.004) 2.133 7.629 ( -0.486 0.000 -1.573) 1.647 7.842 ( -1.921 0.000 1.921) 2.717 7.979 ( -2.915 0.000 1.080) 3.108 8.024 ( -0.497 0.000 4.248) 4.277 8.092 ( 0.311 0.000 -0.397) 0.504 8.126 ( -0.116 0.000 0.393) 0.410 8.237 ( -0.845 0.000 5.146) 5.215 8.317 ( -2.080 0.000 -2.237) 3.055 8.378 ( 0.822 0.000 -6.265) 6.319 8.543 ( 1.912 0.000 2.130) 2.862 8.575 ( 0.475 0.000 2.382) 2.429 8.706 ( -1.251 0.000 -4.021) 4.211 8.868 ( 0.680 0.000 0.603) 0.909 8.936 ( 0.013 0.000 -0.040) 0.042 8.941 ( 0.003 0.000 0.039) 0.039 8.975 ( -0.943 0.000 0.855) 1.273 9.540 ( 0.414 0.000 0.128) 0.434 9.560 ( 1.276 0.000 -1.321) 1.836 9.922 ( 1.079 0.000 1.681) 1.998 10.176 ( 2.761 0.000 -3.158) 4.195 10.277 ( -2.546 0.000 0.830) 2.678 10.318 ( -0.268 0.000 1.816) 1.836======================= Grid point 68 (25/56) =======================q-point: (-0.40 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.390 ( -3.150 0.000 2.589) 4.078 0.592 ( -3.675 0.000 -9.597) 10.276 0.703 ( -6.373 0.000 7.273) 9.670 0.787 ( -1.068 0.000 -6.164) 6.255 0.814 ( 2.148 0.000 -1.179) 2.451 0.868 ( 0.780 0.000 -8.362) 8.398 0.879 ( 0.703 0.000 -3.609) 3.677 1.042 ( -0.036 0.000 0.114) 0.119 1.088 ( 1.687 0.000 1.555) 2.295 1.121 ( 3.170 0.000 2.773) 4.212 1.230 ( 0.057 0.000 -0.040) 0.070 1.367 ( -9.869 0.000 12.010) 15.544 1.374 ( 2.592 0.000 -4.498) 5.191 1.573 ( -1.618 0.000 -0.262) 1.639 1.651 ( -3.045 0.000 4.725) 5.621 1.675 ( -2.707 0.000 2.138) 3.449 1.676 ( -13.145 0.000 -0.040) 13.145 1.755 ( 1.626 0.000 -0.603) 1.734 1.773 ( 9.371 0.000 2.477) 9.693 1.864 ( 1.082 0.000 -3.768) 3.921 1.894 ( -0.501 0.000 0.725) 0.881 2.029 ( 6.959 0.000 1.827) 7.195 2.144 ( -0.155 0.000 0.069) 0.170 2.189 ( 1.331 0.000 -1.906) 2.325 2.313 ( 0.245 0.000 -0.070) 0.255 2.330 ( 2.304 0.000 -0.301) 2.324 2.422 ( -3.085 0.000 -12.469) 12.845 2.650 ( -0.048 0.000 0.771) 0.772 2.899 ( 3.873 0.000 -1.126) 4.033 2.949 ( 0.861 0.000 4.101) 4.191 3.188 ( 0.912 0.000 7.087) 7.146 3.449 ( 0.403 0.000 -1.813) 1.858 3.550 ( -0.021 0.000 0.042) 0.047 3.622 ( 0.339 0.000 -9.024) 9.031 3.840 ( -2.885 0.000 -0.292) 2.900 3.851 ( 0.800 0.000 -0.234) 0.833 4.066 ( -2.905 0.000 1.318) 3.189 4.563 ( -1.594 0.000 0.775) 1.773 4.632 ( 1.175 0.000 0.102) 1.180 4.885 ( 0.332 0.000 3.378) 3.394 4.981 ( -0.802 0.000 9.913) 9.945 5.197 ( -2.933 0.000 -9.603) 10.041 5.330 ( -2.385 0.000 0.009) 2.385 5.533 ( -0.381 0.000 -2.037) 2.073 5.638 ( 1.795 0.000 2.070) 2.740 5.688 ( 1.175 0.000 2.887) 3.117 5.702 ( 4.005 0.000 -1.673) 4.340 5.888 ( -0.590 0.000 -0.143) 0.607 6.008 ( -0.092 0.000 0.149) 0.175 6.041 ( -5.184 0.000 -3.791) 6.422 6.261 ( 4.940 0.000 6.474) 8.143 6.332 ( -0.056 0.000 0.098) 0.113 6.349 ( 1.180 0.000 -1.295) 1.752 6.453 ( 0.867 0.000 4.657) 4.737 6.503 ( 1.378 0.000 1.212) 1.835 6.598 ( 0.681 0.000 0.001) 0.681 6.638 ( 0.462 0.000 -0.343) 0.575 6.706 ( -2.190 0.000 1.406) 2.602 6.741 ( -0.824 0.000 -0.276) 0.869 6.813 ( -1.678 0.000 -12.281) 12.395 6.955 ( -2.230 0.000 -0.287) 2.249 7.049 ( -4.739 0.000 0.410) 4.757 7.161 ( 0.017 0.000 0.154) 0.155 7.181 ( -0.858 0.000 -1.064) 1.367 7.195 ( -0.958 0.000 -2.008) 2.225 7.303 ( 1.416 0.000 0.336) 1.455 7.425 ( -0.134 0.000 -0.166) 0.213 7.503 ( 1.058 0.000 0.987) 1.447 7.626 ( 0.110 0.000 -0.958) 0.965 7.853 ( 2.458 0.000 1.342) 2.800 7.977 ( 2.669 0.000 0.545) 2.725 8.034 ( 0.926 0.000 4.087) 4.190 8.094 ( -0.050 0.000 -0.566) 0.568 8.125 ( -0.102 0.000 0.538) 0.548 8.219 ( -1.471 0.000 4.957) 5.170 8.305 ( 0.685 0.000 -1.970) 2.086 8.395 ( 1.923 0.000 -5.757) 6.070 8.547 ( -1.503 0.000 0.385) 1.551 8.597 ( 1.192 0.000 5.252) 5.386 8.667 ( -2.025 0.000 -4.416) 4.858 8.870 ( -0.566 0.000 0.376) 0.679 8.936 ( -0.017 0.000 -0.032) 0.036 8.941 ( -0.000 0.000 0.032) 0.032 8.993 ( 2.670 0.000 -0.238) 2.681 9.539 ( -0.452 0.000 0.144) 0.474 9.568 ( -0.474 0.000 -1.833) 1.893 9.909 ( -2.594 0.000 2.554) 3.640 10.169 ( -2.551 0.000 -2.797) 3.786 10.272 ( 1.761 0.000 1.618) 2.391 10.338 ( 1.865 0.000 0.204) 1.877======================= Grid point 69 (26/56) =======================q-point: (-0.20 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.311 ( -4.742 0.000 11.380) 12.329 0.540 ( -3.737 0.000 7.149) 8.067 0.550 ( -10.373 0.000 14.682) 17.977 0.678 ( -5.969 0.000 -11.323) 12.800 0.797 ( -1.173 0.000 -10.225) 10.292 0.891 ( 2.049 0.000 -9.000) 9.230 0.983 ( 8.602 0.000 1.168) 8.681 1.035 ( -0.374 0.000 -0.147) 0.402 1.106 ( -5.318 0.000 -4.943) 7.260 1.146 ( 3.617 0.000 -0.385) 3.638 1.222 ( -7.506 0.000 7.239) 10.428 1.279 ( 5.931 0.000 5.829) 8.316 1.393 ( -2.274 0.000 -1.513) 2.731 1.462 ( -6.348 0.000 5.341) 8.296 1.524 ( -1.985 0.000 -0.484) 2.043 1.633 ( -1.784 0.000 0.424) 1.834 1.653 ( -0.415 0.000 3.221) 3.248 1.784 ( 1.524 0.000 -0.101) 1.527 1.795 ( -5.709 0.000 -6.063) 8.328 1.876 ( -1.477 0.000 0.901) 1.730 1.950 ( 6.938 0.000 -2.283) 7.304 2.072 ( -0.315 0.000 2.368) 2.389 2.143 ( -0.027 0.000 0.259) 0.261 2.199 ( -2.116 0.000 -0.339) 2.143 2.255 ( -6.342 0.000 -10.727) 12.461 2.319 ( 0.317 0.000 -0.129) 0.342 2.444 ( 4.173 0.000 -3.325) 5.336 2.685 ( 2.034 0.000 1.171) 2.347 2.942 ( 0.903 0.000 6.570) 6.632 2.991 ( 2.590 0.000 0.140) 2.594 3.285 ( 7.021 0.000 3.286) 7.752 3.436 ( -1.827 0.000 -4.406) 4.769 3.549 ( -0.027 0.000 0.047) 0.055 3.630 ( 3.762 0.000 -6.943) 7.897 3.764 ( -4.192 0.000 -0.271) 4.201 3.869 ( -0.195 0.000 0.026) 0.196 3.961 ( -8.418 0.000 0.224) 8.421 4.509 ( -3.827 0.000 -0.703) 3.891 4.666 ( 2.117 0.000 -0.001) 2.117 4.890 ( -0.620 0.000 2.156) 2.244 4.982 ( -0.080 0.000 10.558) 10.558 5.102 ( -4.802 0.000 -7.891) 9.237 5.269 ( -3.512 0.000 0.138) 3.515 5.532 ( 0.706 0.000 -0.257) 0.751 5.670 ( 1.239 0.000 1.217) 1.737 5.735 ( 2.497 0.000 2.813) 3.761 5.824 ( 7.529 0.000 -0.883) 7.580 5.871 ( -1.940 0.000 -0.293) 1.962 5.947 ( -2.033 0.000 -4.190) 4.657 6.009 ( 0.250 0.000 -0.011) 0.251 6.332 ( -0.044 0.000 0.005) 0.044 6.351 ( 1.530 0.000 11.653) 11.753 6.386 ( 3.310 0.000 -1.230) 3.531 6.396 ( -6.866 0.000 -11.367) 13.280 6.517 ( -3.033 0.000 0.903) 3.165 6.620 ( -5.996 0.000 0.136) 5.998 6.621 ( 2.839 0.000 -7.985) 8.475 6.661 ( 0.863 0.000 0.547) 1.022 6.702 ( -6.167 0.000 -1.610) 6.374 6.723 ( -1.068 0.000 0.444) 1.156 6.929 ( -3.020 0.000 4.139) 5.124 6.950 ( -1.145 0.000 -1.193) 1.654 7.149 ( -0.962 0.000 -1.058) 1.430 7.157 ( -0.376 0.000 -0.299) 0.480 7.207 ( 0.609 0.000 3.294) 3.350 7.345 ( 2.304 0.000 -1.718) 2.874 7.425 ( 0.069 0.000 0.177) 0.190 7.541 ( 2.695 0.000 1.113) 2.916 7.628 ( -0.001 0.000 0.676) 0.676 7.898 ( 1.731 0.000 1.581) 2.344 8.051 ( 3.630 0.000 1.006) 3.767 8.089 ( -0.286 0.000 -0.672) 0.731 8.114 ( 8.871 0.000 1.951) 9.083 8.125 ( 0.002 0.000 0.598) 0.598 8.228 ( 2.349 0.000 6.418) 6.835 8.314 ( 0.405 0.000 -2.016) 2.057 8.421 ( 1.398 0.000 -4.162) 4.391 8.482 ( -6.331 0.000 -0.760) 6.376 8.588 ( -1.927 0.000 -0.614) 2.023 8.679 ( 3.522 0.000 2.703) 4.440 8.851 ( -1.282 0.000 -0.100) 1.286 8.936 ( -0.018 0.000 -0.025) 0.031 8.941 ( -0.009 0.000 0.028) 0.029 9.064 ( 4.873 0.000 0.145) 4.875 9.522 ( -2.039 0.000 -0.201) 2.049 9.527 ( -3.425 0.000 -1.790) 3.865 9.861 ( -2.002 0.000 1.564) 2.541 10.088 ( -5.918 0.000 -3.205) 6.730 10.328 ( 3.410 0.000 1.033) 3.563 10.378 ( 2.535 0.000 0.350) 2.559======================= Grid point 70 (27/56) =======================q-point: ( 0.00 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.303 ( 2.543 11.810 4.018) 12.731 0.404 ( -1.301 10.473 6.906) 12.613 0.631 ( -1.290 4.696 -8.233) 9.566 0.691 ( -0.885 0.404 -10.419) 10.464 0.899 ( 0.209 14.305 6.572) 15.743 0.989 ( 2.979 4.447 -7.182) 8.957 1.071 ( 0.685 9.464 -0.373) 9.496 1.172 ( -1.875 10.092 9.458) 13.958 1.239 ( -1.835 15.462 0.959) 15.600 1.305 ( 0.510 8.510 2.948) 9.021 1.344 ( -3.886 7.551 2.922) 8.981 1.396 ( 2.327 5.748 0.254) 6.206 1.451 ( -0.246 9.849 -3.324) 10.398 1.507 ( 5.171 7.649 0.946) 9.281 1.528 ( 0.457 2.609 -0.631) 2.723 1.580 ( -1.251 -4.259 -2.564) 5.126 1.707 ( 3.635 10.140 -2.460) 11.049 1.858 ( -0.848 10.369 1.066) 10.458 1.907 ( 0.765 9.377 0.816) 9.443 1.967 ( -4.221 2.411 4.559) 6.664 2.044 ( 0.220 10.812 -0.293) 10.818 2.065 ( -1.195 0.292 -1.248) 1.753 2.167 ( -1.949 6.037 -4.967) 8.057 2.228 ( -0.951 8.022 -1.882) 8.294 2.288 ( 3.093 8.218 -5.750) 10.496 2.437 ( 1.195 9.732 0.614) 9.825 2.528 ( 0.018 6.200 -3.026) 6.899 2.717 ( -0.037 1.968 1.949) 2.770 2.906 ( -1.931 0.588 7.596) 7.859 2.971 ( 0.807 -2.715 -0.034) 2.833 3.265 ( 0.186 -1.371 0.448) 1.454 3.383 ( 2.398 -5.141 -2.630) 6.253 3.572 ( -2.142 -5.708 4.220) 7.415 3.687 ( 1.337 -5.573 -3.838) 6.898 3.794 ( -2.255 -0.005 1.823) 2.900 4.207 ( 3.432 30.068 8.219) 31.359 4.401 ( 1.051 -1.919 -2.100) 3.032 4.559 ( -3.296 34.720 -20.613) 40.512 4.764 ( -0.102 2.873 0.746) 2.971 4.883 ( -1.945 2.551 -3.423) 4.691 4.986 ( -4.167 2.323 -1.956) 5.156 5.073 ( 3.343 1.314 0.776) 3.675 5.354 ( -0.102 10.124 0.288) 10.128 5.521 ( 0.835 -5.308 0.984) 5.462 5.662 ( 1.245 -13.164 -3.137) 13.589 5.745 ( -2.088 4.175 -0.433) 4.688 5.772 ( -0.063 -3.980 0.695) 4.041 5.902 ( 0.061 0.908 -0.181) 0.927 5.968 ( -2.336 -5.001 -0.785) 5.575 5.978 ( 1.748 3.077 -1.132) 3.715 6.141 ( -2.391 3.770 -4.078) 6.047 6.243 ( 1.410 -3.721 3.632) 5.387 6.380 ( 7.152 -0.762 1.825) 7.421 6.405 ( -0.034 -0.636 6.010) 6.043 6.459 ( -5.405 1.546 -2.433) 6.126 6.498 ( -0.323 -2.680 -0.115) 2.701 6.613 ( -1.338 -1.747 -1.440) 2.630 6.672 ( -0.247 1.157 0.172) 1.195 6.745 ( 2.085 4.262 -4.066) 6.249 6.815 ( 0.887 3.935 0.900) 4.133 6.918 ( -0.986 -0.216 -3.058) 3.221 7.039 ( 0.787 7.416 -0.010) 7.457 7.164 ( -0.316 2.342 1.370) 2.732 7.219 ( 0.854 2.027 -1.215) 2.513 7.270 ( 1.639 3.109 0.234) 3.523 7.372 ( -0.080 1.349 -3.231) 3.503 7.490 ( 0.038 4.700 1.758) 5.018 7.583 ( 1.589 -0.451 -2.107) 2.677 7.600 ( -1.213 -0.795 0.360) 1.495 7.871 ( -0.055 -4.117 2.689) 4.918 8.008 ( -0.730 -5.380 3.526) 6.474 8.026 ( 1.931 -6.380 -0.672) 6.699 8.175 ( -0.378 3.516 1.661) 3.907 8.238 ( -0.601 -4.842 0.739) 4.935 8.281 ( -4.052 -1.691 -0.239) 4.397 8.330 ( 1.735 0.763 -1.191) 2.238 8.353 ( 2.302 2.411 -0.977) 3.474 8.406 ( -0.612 -0.812 -0.998) 1.425 8.610 ( -0.058 3.820 -0.522) 3.856 8.695 ( 1.135 -2.913 2.070) 3.749 8.786 ( 0.289 -3.246 -1.140) 3.453 8.948 ( -0.388 0.065 1.058) 1.129 9.129 ( 0.294 9.117 -0.999) 9.176 9.222 ( -1.637 6.557 -2.024) 7.055 9.478 ( 1.393 3.385 -0.384) 3.681 9.515 ( -0.260 1.938 0.020) 1.955 9.833 ( 0.147 -2.107 0.628) 2.204 9.966 ( -0.346 -2.414 -0.673) 2.530 10.275 ( 0.277 -7.927 4.248) 8.998 10.313 ( -0.701 -5.055 -0.344) 5.115======================= Grid point 71 (28/56) =======================q-point: ( 0.20 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.479 ( 11.391 2.331 4.190) 12.359 0.522 ( 11.354 8.224 2.919) 14.320 0.607 ( 0.710 7.913 -5.686) 9.770 0.679 ( 1.300 3.616 -7.338) 8.283 0.903 ( -1.320 7.399 -1.086) 7.594 1.005 ( 0.445 5.136 -4.823) 7.060 1.098 ( 2.488 11.185 -3.623) 12.017 1.189 ( -1.377 7.274 6.897) 10.119 1.195 ( -2.194 10.154 1.078) 10.444 1.240 ( -7.180 10.322 2.976) 12.921 1.297 ( 0.995 9.995 1.154) 10.111 1.361 ( -2.024 8.009 2.821) 8.729 1.498 ( 3.603 6.289 -4.115) 8.334 1.536 ( 0.984 4.069 -2.581) 4.917 1.556 ( 0.621 -0.360 0.575) 0.919 1.645 ( 6.434 5.583 4.407) 9.591 1.775 ( 2.231 7.353 -4.380) 8.845 1.834 ( -3.113 5.367 0.842) 6.261 1.864 ( -6.143 6.350 7.459) 11.563 1.958 ( 3.706 12.661 -1.793) 13.313 2.040 ( -0.253 4.922 -4.580) 6.728 2.057 ( -0.439 5.754 0.639) 5.806 2.149 ( 1.493 3.730 1.225) 4.201 2.238 ( 1.859 6.326 -2.095) 6.919 2.331 ( 1.045 7.983 -3.347) 8.719 2.457 ( 1.277 8.517 -2.085) 8.861 2.519 ( -0.734 7.222 -2.484) 7.673 2.700 ( -0.859 2.439 0.199) 2.594 2.876 ( -2.992 0.489 5.527) 6.304 2.958 ( -1.962 -2.027 1.540) 3.214 3.293 ( 1.693 -3.348 -0.356) 3.769 3.374 ( -2.215 -4.582 -1.354) 5.266 3.490 ( -5.086 -2.277 3.207) 6.429 3.642 ( -2.057 -7.383 -3.142) 8.283 3.843 ( 2.398 1.288 0.921) 2.874 4.247 ( -0.538 27.882 6.501) 28.635 4.379 ( -8.115 35.614 -14.836) 39.425 4.450 ( 4.046 -2.833 0.675) 4.985 4.765 ( -0.177 6.197 0.386) 6.212 4.845 ( -0.588 1.038 1.738) 2.108 4.956 ( -0.186 0.466 4.267) 4.297 5.117 ( 1.748 -3.301 -2.363) 4.420 5.384 ( 2.893 9.300 0.667) 9.762 5.551 ( 0.951 -7.920 1.323) 8.086 5.604 ( -3.456 -6.603 -3.122) 8.081 5.726 ( -1.261 5.210 1.669) 5.614 5.787 ( -1.626 -9.196 -0.361) 9.346 5.914 ( 1.098 1.868 -0.293) 2.187 5.952 ( 1.931 4.591 -2.237) 5.460 6.027 ( 3.924 -6.554 1.315) 7.752 6.122 ( 0.361 3.840 -1.644) 4.193 6.272 ( 1.000 -1.115 1.130) 1.876 6.323 ( -4.087 1.587 -2.713) 5.156 6.417 ( 0.407 -0.752 6.907) 6.959 6.524 ( 2.217 0.525 0.622) 2.361 6.557 ( 1.877 -2.592 -1.379) 3.485 6.579 ( 1.363 -1.821 0.897) 2.445 6.660 ( -0.526 -0.095 0.201) 0.571 6.732 ( -1.017 1.492 -5.255) 5.556 6.864 ( 1.732 2.411 -2.352) 3.787 6.936 ( 3.584 0.104 0.086) 3.587 7.052 ( 1.791 5.883 -0.673) 6.186 7.166 ( 0.200 3.582 1.347) 3.833 7.208 ( -1.291 3.408 -0.232) 3.652 7.311 ( 1.430 -1.599 -1.869) 2.845 7.336 ( -2.316 2.051 -5.309) 6.145 7.490 ( -0.514 4.388 1.308) 4.607 7.528 ( -3.356 -1.539 -1.270) 3.905 7.638 ( 1.731 0.490 -0.449) 1.854 7.867 ( -0.734 -3.156 2.203) 3.919 7.975 ( -2.216 -6.504 1.081) 6.955 8.044 ( -3.207 -2.723 3.339) 5.371 8.114 ( -1.192 0.978 -1.135) 1.914 8.199 ( -0.958 4.110 1.507) 4.482 8.251 ( -2.324 0.086 4.489) 5.056 8.354 ( -0.824 -1.649 -2.342) 2.980 8.383 ( 1.364 0.770 -4.121) 4.408 8.428 ( 3.376 -2.333 0.277) 4.113 8.606 ( -0.395 2.787 0.155) 2.819 8.695 ( -0.762 -1.885 -0.319) 2.058 8.803 ( 1.288 -3.287 -0.876) 3.638 8.947 ( -0.075 -0.252 1.664) 1.684 9.070 ( -4.608 7.983 -0.890) 9.260 9.116 ( -5.616 7.243 1.274) 9.253 9.535 ( 2.590 2.610 -0.529) 3.715 9.553 ( 2.563 2.456 -0.942) 3.672 9.850 ( 2.047 -2.709 0.520) 3.435 10.038 ( 5.913 -4.444 -1.932) 7.645 10.273 ( -1.058 -6.030 3.092) 6.858 10.284 ( -2.065 -4.323 0.088) 4.792======================= Grid point 72 (29/56) =======================q-point: ( 0.40 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.529 ( -2.172 7.383 -1.997) 7.951 0.673 ( 4.432 8.729 -11.224) 14.893 0.717 ( 5.020 3.995 0.467) 6.433 0.807 ( 11.414 2.440 3.988) 12.335 0.856 ( -0.636 5.495 -3.978) 6.813 1.002 ( -0.361 5.547 -1.773) 5.834 1.067 ( -6.758 5.346 3.692) 9.374 1.097 ( -4.495 5.530 -2.731) 7.632 1.169 ( 0.330 7.525 -0.793) 7.574 1.202 ( 0.162 13.860 1.988) 14.003 1.298 ( -1.302 14.027 -5.331) 15.062 1.399 ( 2.867 -0.336 6.370) 6.994 1.512 ( 0.720 1.404 -2.135) 2.655 1.562 ( 0.962 5.414 0.267) 5.505 1.587 ( 1.862 2.964 -0.545) 3.543 1.713 ( -4.722 6.648 4.244) 9.193 1.782 ( 0.657 4.998 2.909) 5.820 1.808 ( 3.746 3.442 0.073) 5.087 1.843 ( 2.235 6.707 -1.415) 7.209 1.960 ( -5.295 3.166 6.550) 8.998 2.012 ( -0.063 12.239 1.600) 12.343 2.065 ( 2.424 14.547 -4.478) 15.412 2.187 ( 1.635 4.160 -1.695) 4.780 2.264 ( 0.397 5.657 -0.405) 5.685 2.326 ( -0.238 6.922 0.817) 6.974 2.466 ( -0.195 6.838 -5.100) 8.533 2.502 ( -0.104 8.885 -2.629) 9.266 2.702 ( 0.196 3.853 -2.676) 4.695 2.824 ( -2.044 -0.434 2.155) 3.002 2.931 ( -0.574 -0.373 2.378) 2.474 3.233 ( -5.721 -0.580 4.456) 7.275 3.391 ( 1.672 -5.077 -0.156) 5.348 3.468 ( 2.600 -7.071 -0.512) 7.551 3.599 ( -2.443 -9.143 -4.473) 10.468 3.850 ( -0.508 8.497 0.541) 8.529 4.225 ( -1.943 24.189 3.592) 24.532 4.306 ( 0.223 22.661 -6.521) 23.582 4.508 ( 1.736 -3.500 1.150) 4.073 4.761 ( 0.074 10.726 -0.365) 10.733 4.861 ( 0.943 -0.321 3.868) 3.994 4.968 ( 0.369 0.745 6.309) 6.363 5.139 ( 1.256 -5.251 -3.389) 6.375 5.439 ( 2.304 8.905 0.754) 9.229 5.535 ( -2.123 -11.553 2.331) 11.976 5.563 ( -0.760 0.626 -5.242) 5.334 5.691 ( -2.623 2.016 1.739) 3.738 5.734 ( -1.734 -1.881 -1.242) 2.844 5.929 ( 0.355 2.375 -0.160) 2.407 6.016 ( 3.205 -3.218 -0.490) 4.568 6.096 ( 3.310 -4.126 -1.634) 5.537 6.134 ( 0.781 2.226 0.048) 2.360 6.227 ( -3.927 4.223 -1.138) 5.878 6.329 ( 1.297 0.038 1.302) 1.838 6.446 ( 2.075 -2.583 6.897) 7.651 6.485 ( -1.697 -1.492 -2.511) 3.378 6.579 ( -0.775 2.188 4.479) 5.045 6.622 ( 1.353 -1.606 0.061) 2.102 6.664 ( 1.369 -5.086 -0.566) 5.297 6.717 ( -0.373 2.596 -4.094) 4.862 6.882 ( 1.157 0.834 -2.147) 2.577 6.981 ( 0.965 1.085 -0.403) 1.507 7.128 ( 4.526 2.772 -0.814) 5.370 7.167 ( -0.447 4.108 0.338) 4.146 7.190 ( 0.025 3.420 0.587) 3.470 7.252 ( -3.473 0.844 -5.325) 6.413 7.327 ( -1.619 -0.933 -1.763) 2.570 7.467 ( -1.007 -1.524 0.440) 1.879 7.496 ( -0.542 4.047 -0.494) 4.113 7.655 ( 0.379 1.896 -0.788) 2.088 7.853 ( -0.946 -0.959 1.538) 2.045 7.931 ( -2.130 -6.279 2.299) 7.018 8.004 ( -0.198 -0.171 0.619) 0.672 8.110 ( -0.918 2.112 -0.799) 2.438 8.196 ( 0.105 4.160 2.744) 4.984 8.233 ( -0.058 0.901 6.056) 6.123 8.322 ( -1.582 0.308 -3.284) 3.658 8.393 ( 0.786 1.446 -5.286) 5.537 8.482 ( 1.812 -5.269 1.271) 5.715 8.601 ( -0.076 0.932 0.842) 1.258 8.675 ( -1.339 -0.496 -1.819) 2.312 8.818 ( 0.290 -3.599 0.156) 3.614 8.952 ( 0.701 -0.535 0.786) 1.181 9.024 ( -0.284 6.259 -0.429) 6.280 9.042 ( -2.861 6.135 0.528) 6.790 9.565 ( 0.553 2.784 0.080) 2.840 9.581 ( 1.074 2.452 -1.169) 2.921 9.885 ( 0.904 -3.462 1.527) 3.890 10.118 ( 2.735 -5.731 -2.396) 6.787 10.234 ( -2.127 -3.837 -0.133) 4.389 10.274 ( 0.204 -3.872 2.173) 4.445======================= Grid point 73 (30/56) =======================q-point: (-0.40 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.480 ( -3.563 10.884 -0.699) 11.474 0.638 ( -5.152 7.179 -3.846) 9.638 0.755 ( -3.545 6.494 -2.030) 7.672 0.820 ( 3.082 0.443 -7.381) 8.011 0.950 ( -1.800 10.957 3.164) 11.546 0.959 ( -9.101 4.404 -4.806) 11.195 1.014 ( 4.910 -0.237 1.569) 5.160 1.107 ( 7.700 4.097 2.025) 8.954 1.177 ( 0.685 10.344 -1.111) 10.426 1.221 ( 2.335 13.894 1.365) 14.155 1.282 ( 0.988 14.026 -5.344) 15.042 1.396 ( -3.907 2.060 7.165) 8.417 1.509 ( -1.041 2.833 -0.912) 3.153 1.555 ( -2.865 2.071 -0.246) 3.543 1.604 ( -0.057 5.076 -2.045) 5.473 1.705 ( -7.309 5.975 5.672) 11.013 1.734 ( 5.184 3.209 1.235) 6.220 1.760 ( -5.627 0.929 3.800) 6.853 1.887 ( 3.728 6.687 -3.435) 8.391 1.934 ( -0.202 9.779 2.682) 10.143 2.049 ( 1.202 8.940 2.125) 9.268 2.143 ( 5.290 12.520 0.078) 13.592 2.188 ( -1.091 4.978 -4.126) 6.557 2.255 ( -0.807 6.028 0.048) 6.082 2.350 ( 2.478 4.898 0.720) 5.536 2.426 ( -3.170 6.668 -7.625) 10.614 2.509 ( 0.867 11.139 -2.601) 11.471 2.672 ( -1.605 3.718 0.670) 4.105 2.847 ( 3.696 -1.731 -0.503) 4.112 2.944 ( 0.747 0.655 2.244) 2.454 3.180 ( 0.013 -0.497 6.492) 6.511 3.390 ( -1.802 -5.360 -0.202) 5.658 3.530 ( 2.232 -10.879 1.944) 11.274 3.560 ( 0.903 -4.898 -6.928) 8.533 3.864 ( 1.980 8.471 -0.503) 8.714 4.187 ( -2.992 20.952 3.873) 21.516 4.323 ( 2.569 21.432 -5.389) 22.248 4.523 ( 0.164 -1.774 0.264) 1.801 4.765 ( 0.298 10.754 -0.992) 10.803 4.880 ( 0.783 0.075 2.300) 2.431 4.982 ( 0.006 1.860 8.535) 8.735 5.143 ( -0.714 -3.566 -6.357) 7.324 5.436 ( -2.575 7.538 1.045) 8.034 5.532 ( 0.877 -3.543 1.075) 3.805 5.541 ( -0.229 -3.936 -1.909) 4.381 5.685 ( 2.253 -1.368 1.956) 3.283 5.735 ( 1.921 -0.463 -1.377) 2.408 5.924 ( -0.830 2.732 0.132) 2.858 6.030 ( -1.869 -9.819 -0.068) 9.996 6.066 ( -4.796 2.648 -3.141) 6.315 6.164 ( 0.986 6.799 1.290) 6.990 6.207 ( 2.109 -3.429 0.165) 4.029 6.348 ( 1.324 1.298 0.623) 1.955 6.453 ( -1.840 -2.634 -0.433) 3.242 6.518 ( 3.619 -2.993 -0.463) 4.719 6.570 ( -0.103 -1.257 6.820) 6.936 6.628 ( -1.507 -2.672 -1.466) 3.400 6.678 ( -0.281 -1.101 1.831) 2.155 6.704 ( 0.034 2.572 -4.890) 5.526 6.896 ( 0.234 2.747 -1.884) 3.339 6.968 ( -2.148 1.104 -2.091) 3.195 7.119 ( -3.863 5.376 -1.994) 6.914 7.158 ( 0.413 0.885 0.937) 1.354 7.202 ( -1.358 1.750 -1.554) 2.705 7.229 ( 0.717 2.292 -0.487) 2.451 7.307 ( 1.960 0.789 -0.604) 2.197 7.473 ( 1.033 -0.525 0.323) 1.203 7.493 ( 0.545 3.667 -0.514) 3.743 7.653 ( -0.456 2.155 -0.598) 2.282 7.847 ( 0.192 -1.683 1.861) 2.516 7.924 ( 0.844 -7.105 2.394) 7.545 8.028 ( 2.847 1.619 -0.705) 3.350 8.080 ( -2.000 -0.520 1.527) 2.570 8.207 ( 0.785 5.683 2.368) 6.206 8.250 ( 0.111 2.349 5.180) 5.689 8.306 ( 0.788 0.679 -3.659) 3.804 8.402 ( 0.938 0.298 -5.176) 5.269 8.490 ( -1.327 -5.751 0.457) 5.919 8.610 ( 1.003 -0.866 1.885) 2.304 8.643 ( -1.692 1.470 -1.294) 2.588 8.814 ( -0.730 -3.937 0.368) 4.021 8.970 ( 0.290 -0.307 -0.264) 0.498 9.019 ( 1.079 5.766 -0.094) 5.867 9.048 ( 2.939 6.401 0.070) 7.044 9.564 ( -0.529 2.856 0.117) 2.907 9.584 ( -0.750 2.089 -1.427) 2.638 9.876 ( -2.074 -3.176 2.123) 4.347 10.121 ( -2.035 -5.209 -2.777) 6.244 10.219 ( 0.593 -4.442 1.566) 4.747 10.290 ( 1.174 -4.007 0.630) 4.223======================= Grid point 74 (31/56) =======================q-point: (-0.20 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.374 ( -7.516 12.561 2.285) 14.815 0.513 ( -8.221 9.576 4.978) 13.567 0.682 ( -2.559 4.270 -8.863) 10.166 0.772 ( -7.655 -1.225 -9.294) 12.103 0.896 ( 1.097 8.116 3.093) 8.754 0.926 ( 2.447 8.931 -3.456) 9.884 1.062 ( 0.675 6.211 1.158) 6.354 1.187 ( 2.412 11.175 0.798) 11.460 1.247 ( -0.517 9.028 4.553) 10.124 1.268 ( 3.722 8.038 -0.013) 8.857 1.321 ( 2.754 11.610 5.352) 13.078 1.359 ( 2.518 12.959 -2.635) 13.462 1.449 ( -4.153 4.324 0.461) 6.013 1.476 ( -2.878 5.936 -1.027) 6.677 1.567 ( -2.234 -1.962 0.732) 3.062 1.636 ( -2.771 5.112 3.276) 6.674 1.701 ( -1.833 5.144 -0.817) 5.521 1.845 ( 4.367 2.742 1.072) 5.266 1.906 ( -1.709 12.091 0.623) 12.227 1.961 ( 3.601 4.263 -0.406) 5.595 2.052 ( -0.547 10.707 -0.170) 10.723 2.123 ( -4.762 3.997 1.315) 6.355 2.197 ( 0.029 5.809 -2.964) 6.521 2.235 ( -0.280 6.838 -6.075) 9.151 2.327 ( -4.894 7.511 -5.392) 10.461 2.405 ( 2.206 6.833 -0.003) 7.180 2.524 ( 0.996 10.406 -1.523) 10.564 2.687 ( 2.227 2.238 1.778) 3.623 2.917 ( 2.368 -2.341 1.929) 3.848 2.944 ( -0.423 0.577 4.015) 4.079 3.245 ( 4.157 -2.926 1.684) 5.356 3.344 ( -1.217 -3.899 0.322) 4.097 3.569 ( 1.472 -7.867 3.331) 8.669 3.605 ( 4.625 -3.159 -5.240) 7.670 3.878 ( -2.105 -1.161 -1.460) 2.813 4.153 ( -0.153 27.976 5.996) 28.612 4.378 ( 3.175 12.459 -5.546) 14.002 4.541 ( 3.319 14.427 -6.708) 16.253 4.767 ( 0.008 6.753 -0.919) 6.815 4.895 ( 0.390 0.352 0.734) 0.902 5.005 ( 1.833 5.778 6.063) 8.573 5.084 ( -3.973 -0.573 -8.690) 9.572 5.384 ( -2.802 8.714 0.793) 9.188 5.519 ( -0.249 -1.099 -0.528) 1.245 5.594 ( 3.793 -9.741 2.540) 10.757 5.734 ( 1.802 2.778 1.834) 3.785 5.798 ( 2.988 -8.081 -1.671) 8.776 5.904 ( -0.752 2.868 0.123) 2.968 5.954 ( -2.165 1.036 -2.474) 3.447 6.022 ( -1.850 -2.757 -0.461) 3.352 6.180 ( 0.763 3.907 0.241) 3.988 6.223 ( -0.609 -6.332 0.711) 6.401 6.352 ( -2.751 -4.863 -3.839) 6.779 6.403 ( -1.540 1.048 4.556) 4.922 6.536 ( -4.586 -1.068 0.748) 4.768 6.559 ( -0.006 -2.600 -3.265) 4.174 6.623 ( 0.060 -3.045 4.376) 5.331 6.669 ( 0.011 1.484 -0.355) 1.526 6.696 ( 1.187 5.278 -4.811) 7.240 6.853 ( -3.432 3.825 -4.181) 6.625 6.946 ( -0.766 -0.848 0.547) 1.266 7.039 ( -2.473 9.247 -0.831) 9.608 7.169 ( -0.204 1.072 0.989) 1.473 7.196 ( 1.086 3.523 -0.594) 3.734 7.247 ( 1.254 2.307 1.936) 3.263 7.353 ( 2.407 1.471 -3.558) 4.540 7.486 ( 0.213 3.846 1.625) 4.181 7.526 ( 3.031 0.021 -0.860) 3.151 7.636 ( -1.341 0.808 -0.073) 1.567 7.861 ( 0.666 -3.640 2.460) 4.443 7.959 ( 2.479 -7.489 2.940) 8.419 8.047 ( -1.864 -3.268 1.936) 4.231 8.108 ( 5.574 0.845 -0.653) 5.675 8.227 ( 0.538 4.523 0.313) 4.565 8.264 ( 1.974 2.025 3.538) 4.529 8.327 ( 1.346 2.171 -1.719) 3.079 8.400 ( -1.718 -3.988 -3.886) 5.827 8.432 ( -3.785 -2.107 -0.667) 4.383 8.617 ( -0.741 2.837 -0.982) 3.093 8.650 ( 2.665 -1.656 3.175) 4.464 8.797 ( -0.996 -3.768 -0.291) 3.908 8.959 ( -0.901 0.406 0.620) 1.167 9.073 ( 4.195 7.638 -0.825) 8.753 9.137 ( 6.557 6.804 -0.218) 9.452 9.537 ( -3.670 2.076 -0.563) 4.254 9.546 ( -2.211 2.489 -0.640) 3.391 9.838 ( -1.546 -2.249 1.296) 3.021 10.046 ( -5.424 -4.266 -2.530) 7.350 10.248 ( 1.728 -6.715 3.124) 7.605 10.311 ( 0.807 -4.735 0.033) 4.804======================= Grid point 75 (32/56) =======================q-point: ( 0.00 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.654 ( -4.239 18.026 -3.325) 18.814 0.714 ( 2.301 19.242 -2.768) 19.575 0.813 ( -0.815 13.520 -3.536) 13.999 0.837 ( 2.324 11.400 -0.777) 11.660 1.041 ( 0.339 5.279 1.540) 5.510 1.109 ( 1.261 8.437 -3.678) 9.289 1.259 ( 0.301 9.410 -1.572) 9.545 1.329 ( -1.554 1.552 5.774) 6.178 1.383 ( 0.566 5.335 0.966) 5.452 1.495 ( -1.602 1.112 -1.237) 2.309 1.530 ( -2.099 7.486 0.562) 7.795 1.562 ( 0.663 9.059 -1.103) 9.150 1.600 ( 1.039 15.111 -0.906) 15.174 1.638 ( -0.388 13.811 3.774) 14.323 1.692 ( 1.376 8.674 -1.369) 8.888 1.789 ( 1.033 12.733 0.984) 12.812 1.918 ( 4.484 5.744 1.150) 7.378 1.974 ( -4.346 7.799 -1.947) 9.138 2.025 ( 1.899 2.266 2.740) 4.030 2.071 ( -1.541 4.678 -0.829) 4.994 2.161 ( -0.207 13.641 4.966) 14.518 2.265 ( -0.583 10.908 3.152) 11.370 2.355 ( 0.548 9.982 -3.709) 10.663 2.411 ( -2.571 8.120 -3.184) 9.093 2.502 ( 1.496 13.666 -7.146) 15.494 2.633 ( 1.687 9.020 0.496) 9.190 2.743 ( -2.062 14.053 -2.602) 14.440 2.827 ( 0.022 8.458 1.340) 8.564 2.927 ( 0.597 3.269 1.371) 3.594 3.015 ( -1.136 7.176 3.720) 8.162 3.229 ( 1.096 -2.694 1.283) 3.179 3.278 ( 0.441 -4.358 -2.501) 5.044 3.430 ( 0.729 -8.493 1.780) 8.708 3.561 ( -1.096 -5.972 0.051) 6.072 3.814 ( -0.224 2.690 0.791) 2.813 4.277 ( 0.436 -8.474 -0.353) 8.493 4.665 ( 3.530 14.242 6.116) 15.896 4.750 ( -2.068 -2.596 0.987) 3.463 4.864 ( 1.690 1.501 -0.275) 2.277 4.928 ( -0.852 -10.239 0.581) 10.291 5.094 ( -0.108 14.111 1.650) 14.207 5.144 ( -3.240 0.729 -4.854) 5.881 5.252 ( 0.645 -13.920 -6.571) 15.407 5.434 ( -0.071 2.025 -0.426) 2.070 5.627 ( -1.106 11.947 -0.599) 12.013 5.710 ( -1.482 -1.824 -2.317) 3.301 5.853 ( -0.530 2.407 0.963) 2.646 5.940 ( 0.596 -0.089 1.022) 1.187 5.974 ( -0.812 6.049 -0.868) 6.164 6.052 ( -0.096 3.319 -1.796) 3.775 6.198 ( -1.973 2.315 1.233) 3.282 6.239 ( 3.595 3.281 -1.561) 5.112 6.369 ( 2.284 -1.913 2.229) 3.721 6.393 ( 0.166 2.332 0.696) 2.439 6.507 ( 3.407 5.777 1.361) 6.843 6.543 ( -3.063 4.486 1.265) 5.577 6.625 ( 0.333 4.070 1.297) 4.284 6.735 ( -0.252 4.405 -0.790) 4.482 6.779 ( -3.369 -0.029 -4.654) 5.745 6.906 ( 0.795 1.499 -2.889) 3.351 6.928 ( 0.796 6.470 -0.986) 6.593 7.151 ( 0.034 -1.659 -0.441) 1.717 7.184 ( 0.957 3.335 2.630) 4.354 7.249 ( -0.519 -0.923 -1.851) 2.133 7.296 ( 0.915 0.415 3.410) 3.555 7.393 ( -0.835 -0.467 -4.578) 4.677 7.555 ( 1.157 2.512 0.966) 2.929 7.593 ( -2.416 0.424 -0.194) 2.461 7.644 ( 0.716 5.892 -2.194) 6.328 7.762 ( 1.031 -6.851 1.471) 7.083 7.876 ( -0.755 -6.805 0.346) 6.856 7.917 ( 1.562 -4.230 2.235) 5.033 8.123 ( 0.063 -5.747 0.705) 5.790 8.208 ( -1.973 -1.230 2.067) 3.110 8.275 ( -0.967 2.321 -0.717) 2.615 8.351 ( 0.431 0.668 -0.244) 0.832 8.375 ( 1.478 -0.778 -1.463) 2.220 8.424 ( -0.343 2.648 0.186) 2.677 8.610 ( -0.218 -3.520 0.265) 3.537 8.696 ( 0.263 -2.210 1.037) 2.455 8.745 ( 1.073 3.346 -2.009) 4.048 8.938 ( -0.630 -0.787 1.575) 1.870 9.211 ( 0.064 0.117 -1.371) 1.378 9.297 ( -0.617 1.006 0.855) 1.457 9.595 ( 0.853 7.646 0.005) 7.693 9.604 ( -0.320 6.578 -0.296) 6.593 9.783 ( -0.022 -2.450 0.271) 2.465 9.901 ( -0.108 -3.789 -0.293) 3.802 10.148 ( 0.702 -4.895 2.492) 5.537 10.205 ( -0.686 -5.602 -0.990) 5.730======================= Grid point 76 (33/56) =======================q-point: ( 0.20 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.648 ( 3.426 14.270 0.081) 14.676 0.768 ( 3.068 11.878 -2.383) 12.497 0.832 ( 3.943 15.561 -0.450) 16.060 0.870 ( 1.667 12.148 -3.276) 12.692 1.046 ( -0.751 8.718 -1.803) 8.934 1.105 ( 0.378 6.879 -4.313) 8.128 1.253 ( -0.543 6.504 -0.910) 6.590 1.298 ( -4.091 3.632 3.193) 6.334 1.354 ( -2.565 5.998 3.042) 7.198 1.392 ( -8.071 6.037 0.055) 10.079 1.497 ( -1.355 5.429 0.646) 5.633 1.551 ( -0.010 9.550 -0.444) 9.560 1.590 ( -3.177 8.450 -0.620) 9.049 1.667 ( 2.603 10.391 -0.117) 10.712 1.750 ( 3.355 6.917 -1.213) 7.783 1.812 ( 1.393 9.376 -0.399) 9.488 1.898 ( -1.844 5.757 -0.293) 6.052 1.994 ( 2.445 10.271 2.853) 10.937 2.025 ( -3.862 3.938 -1.904) 5.835 2.057 ( 1.679 8.947 5.530) 10.651 2.204 ( 3.252 13.077 2.180) 13.651 2.268 ( 0.768 9.981 3.551) 10.621 2.367 ( 1.825 15.362 -8.024) 17.427 2.396 ( 1.058 7.812 0.667) 7.912 2.527 ( 1.932 9.450 -4.608) 10.690 2.607 ( -3.314 10.399 -1.325) 10.995 2.778 ( 4.666 13.058 0.634) 13.881 2.805 ( -2.376 9.065 0.767) 9.402 2.921 ( -1.425 4.593 0.013) 4.809 2.996 ( -1.518 7.195 3.175) 8.009 3.242 ( 0.474 -4.209 0.877) 4.326 3.261 ( -1.636 -3.784 -2.305) 4.723 3.427 ( -1.135 -5.986 1.902) 6.382 3.494 ( -5.086 -4.762 -0.321) 6.974 3.838 ( 1.926 0.518 0.752) 2.132 4.300 ( 1.697 -9.014 -0.803) 9.208 4.664 ( -2.795 11.163 0.882) 11.542 4.779 ( 2.469 0.074 2.176) 3.292 4.877 ( -0.762 -0.351 -3.298) 3.403 4.900 ( -1.409 0.059 2.009) 2.454 5.057 ( -3.122 3.144 -0.121) 4.433 5.101 ( 0.652 14.181 1.822) 14.312 5.249 ( -0.517 -16.955 -4.131) 17.459 5.425 ( -0.193 0.320 0.231) 0.440 5.624 ( 0.572 9.122 1.457) 9.255 5.707 ( 0.945 1.172 -0.366) 1.549 5.838 ( -1.420 3.029 0.868) 3.457 5.960 ( 0.956 1.318 0.002) 1.628 5.997 ( 3.005 2.757 1.259) 4.268 6.052 ( 0.597 3.614 -1.658) 4.021 6.161 ( -1.871 3.418 -0.991) 4.020 6.271 ( 1.142 1.189 -0.984) 1.920 6.359 ( 0.590 -0.293 0.162) 0.679 6.468 ( 2.722 -1.938 -1.642) 3.724 6.483 ( -1.152 7.219 1.083) 7.390 6.572 ( -1.467 4.899 -1.373) 5.295 6.658 ( 2.665 4.828 7.558) 9.356 6.701 ( -2.491 6.447 0.833) 6.961 6.727 ( 0.401 -1.406 -6.554) 6.715 6.877 ( -1.774 0.654 -2.083) 2.813 6.984 ( 3.378 4.082 -1.626) 5.542 7.150 ( 0.241 1.678 -0.175) 1.704 7.218 ( 1.917 0.180 2.843) 3.434 7.242 ( 0.055 -1.489 -1.818) 2.351 7.293 ( -2.268 1.140 2.435) 3.518 7.349 ( -2.153 -0.813 -4.871) 5.388 7.498 ( -3.952 0.868 -1.249) 4.235 7.608 ( 0.461 4.978 0.508) 5.025 7.654 ( 1.156 0.045 0.543) 1.278 7.789 ( 0.895 -2.935 0.124) 3.070 7.822 ( -2.394 -8.069 -1.046) 8.482 7.979 ( 2.010 -3.331 3.368) 5.146 8.127 ( 0.677 0.097 -0.018) 0.684 8.190 ( -0.148 -5.470 2.935) 6.209 8.248 ( -1.449 1.280 0.615) 2.029 8.347 ( -0.146 1.228 -1.224) 1.740 8.409 ( 1.272 -0.366 -0.699) 1.497 8.427 ( 0.616 2.880 -1.431) 3.274 8.587 ( -1.778 -3.444 0.194) 3.880 8.708 ( 0.675 -2.514 0.480) 2.647 8.758 ( 0.596 2.909 -2.097) 3.636 8.935 ( -0.099 -0.685 2.082) 2.194 9.161 ( -3.776 1.591 -1.148) 4.255 9.226 ( -5.568 2.929 1.185) 6.402 9.627 ( 2.126 6.634 0.015) 6.966 9.644 ( 2.815 6.331 -0.682) 6.962 9.786 ( 0.633 -3.252 0.478) 3.347 9.932 ( 2.843 -5.724 -0.656) 6.425 10.162 ( 0.189 -4.801 0.785) 4.868 10.187 ( -0.753 -5.046 0.390) 5.117======================= Grid point 77 (34/56) =======================q-point: ( 0.40 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.731 ( 4.095 11.718 -1.939) 12.564 0.798 ( 0.547 5.019 1.844) 5.375 0.903 ( 2.747 10.807 -4.550) 12.043 0.933 ( 3.251 10.681 0.729) 11.189 1.007 ( 0.856 12.529 -3.563) 13.054 1.135 ( -0.269 7.005 -2.318) 7.383 1.174 ( -4.908 7.088 0.866) 8.665 1.240 ( -6.215 4.447 4.003) 8.627 1.273 ( 0.963 6.020 -4.636) 7.659 1.347 ( 0.724 3.243 3.620) 4.914 1.461 ( -2.253 6.458 -0.365) 6.849 1.525 ( -2.165 6.146 -1.949) 6.802 1.547 ( -0.426 5.207 -1.551) 5.450 1.714 ( 1.750 8.643 0.200) 8.821 1.783 ( 0.038 4.124 -0.569) 4.163 1.844 ( 2.382 6.132 -1.886) 6.844 1.869 ( -3.652 6.208 3.038) 7.817 1.949 ( -1.788 11.219 -2.718) 11.681 2.027 ( 1.443 10.336 3.014) 10.863 2.122 ( 2.848 10.924 8.084) 13.886 2.228 ( -0.814 15.993 2.563) 16.218 2.296 ( 1.094 5.488 -1.422) 5.774 2.405 ( 1.933 13.631 -2.827) 14.054 2.428 ( 2.631 13.693 -3.742) 14.436 2.547 ( -0.948 7.252 -0.879) 7.366 2.555 ( 0.182 11.205 -0.333) 11.212 2.760 ( -1.972 10.380 -0.022) 10.565 2.859 ( 3.320 12.162 0.066) 12.608 2.880 ( -2.709 7.668 -0.660) 8.159 2.982 ( 0.337 6.571 0.788) 6.627 3.223 ( -2.227 -1.520 0.990) 2.873 3.255 ( 0.594 -6.653 0.756) 6.722 3.387 ( -3.714 -1.658 3.375) 5.285 3.433 ( 0.099 -7.135 -3.274) 7.851 3.866 ( 0.847 -1.063 0.427) 1.425 4.323 ( 0.718 -9.533 -0.731) 9.588 4.605 ( -3.256 9.886 -1.287) 10.488 4.766 ( -1.509 8.836 -3.697) 9.697 4.886 ( 1.307 -0.128 -0.664) 1.472 4.899 ( 0.426 -3.729 5.392) 6.570 5.017 ( -1.497 14.159 0.016) 14.238 5.170 ( 5.552 7.485 6.597) 11.418 5.230 ( -0.758 -16.973 -1.569) 17.062 5.425 ( -0.317 -3.351 -0.714) 3.440 5.621 ( -1.557 5.761 0.361) 5.979 5.716 ( 0.355 5.758 -3.350) 6.671 5.800 ( -2.028 3.803 -0.348) 4.324 5.980 ( 0.866 2.800 0.642) 3.001 6.035 ( 0.372 2.321 2.104) 3.155 6.077 ( 1.754 -0.799 -0.661) 2.037 6.157 ( 1.845 4.244 -0.977) 4.729 6.285 ( -0.108 0.172 -0.896) 0.919 6.407 ( 4.290 1.724 1.948) 5.017 6.427 ( -3.537 3.302 0.194) 4.842 6.521 ( 1.046 4.409 -0.136) 4.533 6.538 ( -0.616 -0.344 -0.794) 1.062 6.606 ( -4.497 2.363 -0.974) 5.173 6.681 ( -0.378 1.434 1.983) 2.476 6.784 ( 1.633 4.875 -5.377) 7.439 6.875 ( 2.785 1.800 4.159) 5.319 7.025 ( 1.267 2.548 -2.170) 3.579 7.162 ( 0.351 0.042 0.522) 0.630 7.210 ( -3.758 -2.011 2.480) 4.931 7.243 ( -0.976 0.706 -2.248) 2.550 7.260 ( 1.563 -0.138 -0.877) 1.798 7.327 ( 0.044 1.694 -2.421) 2.956 7.446 ( -0.990 1.142 -2.793) 3.176 7.597 ( -0.943 3.797 0.182) 3.916 7.684 ( 1.327 0.432 1.666) 2.173 7.765 ( -1.704 -8.284 -0.100) 8.458 7.813 ( -0.397 -2.168 0.269) 2.220 7.999 ( 0.395 0.128 2.580) 2.613 8.146 ( 0.258 0.533 -1.919) 2.008 8.201 ( 1.279 -1.097 6.251) 6.474 8.243 ( 0.630 -4.336 0.565) 4.418 8.349 ( 0.688 3.079 -1.079) 3.335 8.390 ( -2.723 -0.761 -1.126) 3.044 8.445 ( 1.095 1.621 -3.243) 3.788 8.564 ( -0.475 -2.773 -0.188) 2.820 8.717 ( 0.253 -1.961 0.214) 1.989 8.754 ( -1.015 1.638 0.135) 1.932 8.942 ( 0.827 -0.265 0.654) 1.087 9.118 ( -0.510 2.844 -0.736) 2.982 9.138 ( -3.558 3.116 0.911) 4.817 9.658 ( 0.986 6.560 0.103) 6.634 9.672 ( 0.540 6.727 -0.722) 6.787 9.803 ( 0.603 -4.459 0.982) 4.605 9.976 ( 1.636 -7.921 -1.169) 8.173 10.148 ( -1.108 -4.547 -0.926) 4.771 10.192 ( 0.587 -4.122 1.806) 4.539======================= Grid point 78 (35/56) =======================q-point: (-0.40 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.749 ( -1.469 13.537 -3.740) 14.121 0.804 ( -0.555 7.598 3.223) 8.272 0.882 ( -4.099 6.040 -3.071) 7.919 0.956 ( 2.082 11.972 -2.737) 12.456 1.004 ( -4.352 9.899 -3.651) 11.413 1.095 ( -4.503 7.026 1.650) 8.507 1.169 ( 6.631 8.531 1.756) 10.947 1.221 ( 4.095 6.185 0.634) 7.445 1.337 ( 4.702 3.744 -3.922) 7.177 1.392 ( 2.317 2.784 0.184) 3.627 1.427 ( 0.191 7.526 1.371) 7.652 1.509 ( 0.414 7.370 -2.396) 7.761 1.553 ( 1.391 3.000 -0.486) 3.342 1.718 ( -1.033 8.218 -1.384) 8.397 1.750 ( -2.554 4.230 2.638) 5.601 1.818 ( -1.494 10.126 1.120) 10.297 1.884 ( 1.422 6.014 1.382) 6.333 1.916 ( -2.842 12.556 0.254) 12.876 2.060 ( 1.704 8.641 0.425) 8.817 2.134 ( -2.338 11.886 5.919) 13.482 2.222 ( -0.345 12.251 2.264) 12.463 2.292 ( -1.147 7.166 -1.579) 7.427 2.397 ( -1.733 10.412 -1.254) 10.629 2.469 ( 2.271 13.918 -4.513) 14.807 2.536 ( -0.727 10.488 -1.515) 10.622 2.568 ( 0.688 10.039 -1.086) 10.121 2.754 ( 1.481 9.361 0.649) 9.499 2.838 ( -1.467 12.684 0.257) 12.771 2.892 ( 0.565 8.249 -0.504) 8.284 3.013 ( 2.325 6.620 -1.705) 7.220 3.183 ( -2.016 1.736 4.297) 5.054 3.259 ( -0.237 -8.370 0.495) 8.388 3.361 ( 0.851 -5.929 1.869) 6.275 3.465 ( 3.340 -4.431 -2.327) 6.017 3.868 ( -0.647 -1.249 0.292) 1.436 4.319 ( -1.063 -9.401 -0.551) 9.477 4.561 ( -1.071 10.760 1.059) 10.865 4.767 ( 2.010 7.753 -3.076) 8.580 4.875 ( -2.087 0.660 1.871) 2.880 4.927 ( 0.956 -9.402 2.183) 9.700 5.014 ( 1.433 18.659 0.408) 18.718 5.207 ( -0.739 -14.441 -2.240) 14.632 5.291 ( 4.060 12.472 2.226) 13.303 5.402 ( -1.112 -12.571 -0.323) 12.624 5.601 ( 0.996 4.381 0.923) 4.586 5.699 ( -1.738 9.811 -2.588) 10.295 5.793 ( 1.216 3.283 0.300) 3.514 5.985 ( -0.403 3.636 0.318) 3.672 6.034 ( -0.637 2.654 1.501) 3.115 6.088 ( -0.641 -0.796 -0.499) 1.137 6.185 ( 0.427 3.282 -2.569) 4.190 6.256 ( -2.239 1.509 0.578) 2.761 6.395 ( -0.424 2.509 1.322) 2.867 6.450 ( -2.188 0.379 -0.958) 2.418 6.511 ( -0.612 2.808 1.282) 3.147 6.547 ( 2.293 1.966 2.133) 3.698 6.567 ( 0.315 0.976 -1.392) 1.729 6.689 ( 0.927 0.397 -0.068) 1.011 6.790 ( 1.234 4.838 -4.915) 7.007 6.935 ( 1.017 3.462 4.915) 6.097 7.009 ( -2.702 3.079 -4.985) 6.452 7.140 ( -0.732 -2.966 2.343) 3.850 7.187 ( -0.082 0.461 0.244) 0.528 7.226 ( -0.448 0.923 0.135) 1.035 7.272 ( -0.051 -0.359 -0.871) 0.943 7.346 ( 2.307 2.698 -2.893) 4.580 7.456 ( 2.227 0.995 -3.425) 4.205 7.594 ( 0.781 3.832 0.376) 3.929 7.692 ( -0.868 0.893 1.251) 1.765 7.756 ( 0.864 -7.773 0.768) 7.858 7.792 ( -1.769 -2.805 1.562) 3.666 8.006 ( -0.443 -1.798 1.783) 2.571 8.129 ( -1.101 2.747 -0.014) 2.960 8.247 ( 0.949 -2.206 5.358) 5.872 8.257 ( 1.547 -1.819 -0.027) 2.388 8.329 ( -2.792 -3.729 -2.530) 5.301 8.368 ( 1.132 3.309 -0.826) 3.593 8.452 ( 0.249 1.389 -2.966) 3.285 8.568 ( 0.807 -1.924 -0.290) 2.106 8.720 ( 0.094 -2.938 -0.180) 2.945 8.728 ( -1.591 2.609 1.850) 3.572 8.961 ( 0.552 -0.358 -0.395) 0.767 9.106 ( 0.938 2.645 0.179) 2.813 9.148 ( 3.294 3.175 0.059) 4.575 9.661 ( -0.667 6.692 0.263) 6.731 9.667 ( -1.019 6.357 -0.764) 6.483 9.801 ( -0.912 -3.945 1.064) 4.186 9.979 ( -1.168 -8.178 -1.361) 8.373 10.133 ( -0.407 -4.203 0.439) 4.246 10.205 ( 0.536 -4.388 0.632) 4.465======================= Grid point 79 (36/56) =======================q-point: (-0.20 0.15 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.707 ( -1.297 16.807 -2.276) 17.010 0.782 ( -6.590 14.133 -4.780) 16.310 0.804 ( 0.254 8.327 0.544) 8.348 0.863 ( -4.833 12.557 -2.792) 13.742 1.030 ( 1.826 7.645 0.404) 7.870 1.072 ( 1.762 8.471 -1.798) 8.837 1.245 ( 1.623 9.867 0.252) 10.003 1.315 ( 4.692 4.196 1.130) 6.395 1.363 ( -1.175 3.101 2.410) 4.100 1.455 ( 6.114 5.078 -3.811) 8.815 1.496 ( 3.966 4.344 0.451) 5.899 1.521 ( 1.478 7.617 -0.620) 7.784 1.592 ( 1.930 9.754 0.415) 9.952 1.683 ( -3.663 13.992 -0.010) 14.464 1.715 ( -1.719 6.253 1.303) 6.615 1.787 ( -1.529 11.391 0.836) 11.523 1.859 ( 0.149 9.537 1.342) 9.632 1.941 ( 3.221 7.307 4.315) 9.076 2.077 ( -1.358 5.568 -2.341) 6.191 2.092 ( -2.157 6.210 2.467) 7.021 2.188 ( -2.962 10.181 1.886) 10.769 2.272 ( -0.673 10.724 1.654) 10.872 2.364 ( -1.197 9.520 -1.559) 9.721 2.482 ( -3.998 7.043 -3.785) 8.940 2.493 ( 1.030 14.993 -6.023) 16.190 2.591 ( 1.978 11.327 -0.830) 11.529 2.796 ( 1.345 11.209 1.607) 11.403 2.809 ( -1.732 12.726 -1.641) 12.947 2.904 ( 1.284 3.502 1.109) 3.891 3.028 ( -0.630 7.371 1.712) 7.594 3.193 ( 2.189 -1.828 2.136) 3.563 3.262 ( 0.872 -4.560 -0.916) 4.732 3.398 ( 2.107 -8.523 2.424) 9.108 3.531 ( 3.582 -4.521 -1.323) 5.918 3.842 ( -2.125 0.122 0.521) 2.191 4.290 ( -1.567 -8.600 -0.277) 8.746 4.584 ( 3.144 12.451 4.559) 13.627 4.795 ( -0.704 -0.670 -0.593) 1.138 4.837 ( -0.238 2.917 -0.219) 2.935 4.936 ( -0.191 -10.637 1.492) 10.743 5.062 ( 2.936 20.257 1.815) 20.549 5.187 ( -1.197 -11.046 -2.606) 11.413 5.276 ( -2.171 -4.047 -8.518) 9.678 5.423 ( 1.288 -0.752 0.859) 1.721 5.657 ( -1.777 11.009 0.078) 11.152 5.683 ( 5.148 1.296 0.481) 5.330 5.829 ( 2.403 3.218 1.083) 4.160 5.967 ( -1.870 0.960 -0.242) 2.116 6.009 ( -2.351 4.193 0.570) 4.841 6.063 ( -0.982 3.064 -3.008) 4.405 6.179 ( 0.803 2.390 -0.206) 2.530 6.231 ( -1.416 0.950 1.006) 1.980 6.345 ( -2.426 3.876 -1.037) 4.689 6.430 ( -1.463 -0.703 2.559) 3.030 6.486 ( -1.114 2.983 0.183) 3.190 6.581 ( -0.200 -0.264 5.450) 5.460 6.598 ( 2.218 4.885 -2.333) 5.850 6.715 ( 1.944 2.515 -1.278) 3.426 6.818 ( 1.655 5.108 -6.362) 8.325 6.899 ( -3.172 2.277 0.742) 3.974 6.959 ( -2.001 3.944 -2.765) 5.216 7.143 ( 0.183 -2.835 4.510) 5.330 7.183 ( -0.414 3.914 -2.115) 4.468 7.254 ( 2.656 1.011 2.869) 4.038 7.263 ( -0.503 -1.420 -1.064) 1.844 7.384 ( 2.083 0.901 -4.085) 4.673 7.503 ( 3.158 1.110 -1.786) 3.794 7.619 ( 1.313 5.927 0.353) 6.081 7.659 ( -2.627 0.992 -0.412) 2.838 7.761 ( -1.126 -5.966 2.256) 6.477 7.807 ( 4.029 -6.563 0.549) 7.720 7.970 ( -3.735 -3.594 2.995) 5.987 8.121 ( 0.051 -1.036 0.421) 1.120 8.238 ( -1.597 -3.476 1.733) 4.200 8.280 ( 0.355 0.933 -1.152) 1.525 8.319 ( 1.935 -1.229 -0.980) 2.493 8.376 ( -0.255 1.192 0.145) 1.228 8.441 ( -1.062 2.000 -1.401) 2.663 8.592 ( 1.660 -2.534 0.007) 3.029 8.703 ( -1.095 -2.061 1.487) 2.767 8.730 ( 0.741 2.648 -0.793) 2.862 8.953 ( -1.029 -0.601 0.767) 1.417 9.162 ( 4.250 1.579 -1.089) 4.663 9.234 ( 5.485 2.275 0.597) 5.968 9.629 ( -2.916 6.985 0.063) 7.569 9.635 ( -2.169 6.034 -0.268) 6.418 9.785 ( -0.570 -2.582 0.513) 2.693 9.936 ( -2.846 -6.147 -0.907) 6.834 10.135 ( 0.348 -4.625 1.887) 5.007 10.211 ( 0.098 -5.125 -0.448) 5.145======================= Grid point 80 (37/56) =======================q-point: ( 0.00 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( -0.570 13.424 0.506) 13.446 1.004 ( -0.202 9.298 0.598) 9.320 1.080 ( -0.702 12.767 -0.903) 12.818 1.109 ( -0.395 14.545 -1.769) 14.658 1.188 ( 2.227 10.067 -2.309) 10.565 1.277 ( 0.989 7.337 -1.456) 7.546 1.382 ( -1.318 4.962 2.070) 5.536 1.483 ( 0.253 9.448 1.383) 9.552 1.494 ( -0.950 8.574 0.129) 8.628 1.555 ( 0.803 6.104 -3.006) 6.851 1.616 ( -1.029 4.945 -1.079) 5.165 1.681 ( 1.925 2.520 -3.023) 4.381 1.815 ( -1.813 5.794 1.834) 6.342 1.822 ( -1.039 4.237 1.314) 4.556 1.865 ( 2.099 6.659 1.091) 7.067 1.938 ( -0.739 3.446 0.873) 3.631 2.011 ( 0.336 1.723 -2.264) 2.864 2.028 ( 1.308 5.953 -0.712) 6.136 2.098 ( 0.129 2.002 -0.786) 2.155 2.225 ( -1.443 7.404 3.295) 8.231 2.431 ( 1.470 8.897 5.568) 10.598 2.479 ( -0.083 10.514 0.533) 10.528 2.517 ( -1.377 5.594 0.583) 5.790 2.558 ( -0.107 11.729 -0.019) 11.730 2.705 ( 0.392 6.009 -3.382) 6.906 2.816 ( -0.693 6.265 2.200) 6.676 2.922 ( 2.104 -1.706 -1.580) 3.136 2.945 ( -1.521 7.615 -5.689) 9.627 3.092 ( 0.395 6.702 -0.048) 6.714 3.157 ( -0.628 2.163 1.830) 2.902 3.174 ( -0.602 4.289 -0.453) 4.355 3.277 ( 0.305 3.260 3.279) 4.634 3.316 ( 0.673 0.876 -0.581) 1.248 3.529 ( 0.050 5.909 1.069) 6.005 3.916 ( -0.163 7.714 -0.353) 7.723 4.078 ( 0.284 -11.462 0.037) 11.465 4.500 ( -0.309 -18.410 0.495) 18.420 4.748 ( 1.177 -9.635 -1.697) 9.853 4.813 ( -0.792 1.374 -2.026) 2.573 4.926 ( 2.033 5.389 2.628) 6.330 4.974 ( -0.035 1.521 6.056) 6.244 5.191 ( -3.410 4.315 -6.101) 8.214 5.446 ( 2.232 7.276 2.185) 7.918 5.567 ( -0.380 8.296 0.965) 8.360 5.657 ( -1.172 0.196 -3.824) 4.004 5.782 ( -0.548 -1.390 0.408) 1.548 5.840 ( -0.621 2.066 0.880) 2.330 5.908 ( 0.889 -3.986 -0.612) 4.129 6.105 ( -1.459 5.985 -2.021) 6.483 6.130 ( 0.259 5.619 0.186) 5.628 6.258 ( -0.290 4.042 1.157) 4.214 6.312 ( 1.888 4.952 -3.133) 6.157 6.366 ( -1.269 2.479 -0.427) 2.818 6.490 ( 0.151 3.478 -0.571) 3.528 6.612 ( 2.842 4.038 7.465) 8.951 6.658 ( 3.636 7.288 3.979) 9.065 6.738 ( -5.127 0.964 0.104) 5.218 6.794 ( 0.051 10.460 -1.431) 10.558 6.890 ( -0.603 8.383 -5.332) 9.954 6.959 ( 0.415 2.967 -1.838) 3.514 7.039 ( 0.891 0.347 1.437) 1.727 7.103 ( -0.669 0.755 -2.465) 2.664 7.159 ( 0.235 -5.532 1.221) 5.670 7.181 ( -0.797 -4.170 -1.245) 4.424 7.292 ( 0.670 -1.061 1.021) 1.618 7.345 ( -0.257 -3.956 -3.124) 5.048 7.545 ( 0.381 -5.759 3.076) 6.540 7.611 ( -1.479 -0.651 -1.263) 2.051 7.676 ( -0.909 4.136 1.825) 4.611 7.749 ( 0.842 2.804 -1.075) 3.119 7.806 ( 3.935 -6.247 0.857) 7.433 7.866 ( -2.745 5.241 -0.750) 5.964 8.058 ( 0.956 -0.875 0.024) 1.296 8.170 ( -1.960 -1.834 1.623) 3.137 8.320 ( 0.472 -0.247 2.457) 2.514 8.352 ( -1.716 0.451 -1.147) 2.113 8.361 ( 2.334 0.480 -1.832) 3.005 8.466 ( 0.136 1.215 0.063) 1.224 8.539 ( -0.569 -3.093 -0.618) 3.205 8.612 ( 0.288 -4.857 -0.316) 4.876 8.838 ( 0.917 4.230 -0.652) 4.377 8.923 ( -0.805 -0.715 1.458) 1.813 9.189 ( 0.050 -1.303 -1.306) 1.845 9.286 ( -0.133 -1.331 1.386) 1.927 9.659 ( 0.078 -2.053 0.594) 2.139 9.706 ( -0.104 0.156 -0.609) 0.637 9.809 ( 0.102 5.934 -0.560) 5.961 9.876 ( -0.039 3.894 0.384) 3.913 10.075 ( 0.937 -2.810 1.365) 3.262 10.107 ( -0.895 -4.029 -0.930) 4.231======================= Grid point 81 (38/56) =======================q-point: ( 0.20 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( -3.200 11.503 1.011) 11.983 0.969 ( -2.228 9.428 0.490) 9.700 1.089 ( 1.210 10.634 -1.116) 10.761 1.126 ( 2.270 12.722 -0.513) 12.934 1.239 ( 2.574 10.359 -3.430) 11.211 1.288 ( 0.209 9.010 -2.867) 9.457 1.352 ( -2.694 4.315 3.170) 5.994 1.434 ( -4.772 10.553 -0.623) 11.599 1.465 ( -3.216 5.715 2.117) 6.891 1.526 ( -3.859 8.682 -2.468) 9.817 1.568 ( -0.968 3.180 -0.909) 3.447 1.701 ( -0.090 4.252 -3.908) 5.775 1.714 ( -7.470 5.070 0.561) 9.045 1.806 ( -0.547 1.966 1.575) 2.578 1.843 ( -1.227 6.211 1.583) 6.526 1.918 ( -1.969 2.482 0.958) 3.310 2.063 ( 2.813 6.141 -1.925) 7.023 2.093 ( 4.612 6.191 0.106) 7.721 2.127 ( 1.837 1.779 -2.043) 3.273 2.199 ( -0.956 4.570 4.352) 6.382 2.447 ( -0.172 8.037 4.954) 9.443 2.518 ( 3.082 10.868 1.122) 11.352 2.548 ( 1.901 10.925 1.710) 11.220 2.588 ( 5.549 6.927 -2.789) 9.303 2.681 ( -1.631 7.288 -2.145) 7.770 2.822 ( -0.281 7.345 1.046) 7.424 2.943 ( 1.831 11.655 -4.833) 12.749 2.972 ( 3.061 -3.656 0.867) 4.846 3.083 ( -0.930 5.960 -0.747) 6.078 3.133 ( -2.016 1.915 1.462) 3.141 3.155 ( -1.185 7.137 -0.007) 7.235 3.287 ( 0.099 1.866 1.727) 2.545 3.330 ( 1.089 1.340 -0.557) 1.814 3.501 ( -3.095 7.269 0.826) 7.944 3.909 ( -0.431 6.977 -0.109) 6.991 4.088 ( 0.600 -12.139 -0.286) 12.157 4.529 ( 3.021 -18.110 0.980) 18.386 4.744 ( -0.986 -6.751 -3.219) 7.544 4.810 ( 0.637 -1.566 -0.551) 1.778 4.939 ( -1.211 4.919 -1.498) 5.282 5.012 ( 2.528 2.240 5.594) 6.535 5.134 ( -1.219 5.190 0.667) 5.373 5.441 ( -2.351 8.333 -2.064) 8.901 5.576 ( 0.920 10.659 1.936) 10.872 5.644 ( 0.140 -2.010 -1.383) 2.444 5.799 ( 1.655 1.478 0.461) 2.266 5.826 ( -0.723 -0.206 0.236) 0.788 5.933 ( 1.688 -3.342 -0.567) 3.787 6.091 ( -0.025 4.902 0.206) 4.906 6.138 ( 0.502 5.806 0.323) 5.837 6.245 ( -0.978 4.527 -0.009) 4.632 6.305 ( -0.785 3.176 -3.184) 4.565 6.390 ( 2.570 3.313 1.283) 4.384 6.497 ( 0.242 3.738 -0.556) 3.787 6.603 ( -1.563 3.266 2.055) 4.163 6.659 ( -2.640 1.262 1.329) 3.214 6.746 ( -3.035 7.433 -2.211) 8.328 6.782 ( 2.132 8.202 4.211) 9.463 6.890 ( 2.915 9.933 -3.686) 10.989 6.923 ( -2.712 2.753 -1.779) 4.254 7.062 ( 0.693 2.547 0.844) 2.771 7.106 ( 0.852 -4.712 -1.351) 4.976 7.166 ( 0.127 -4.543 0.730) 4.603 7.172 ( -0.111 -3.702 0.351) 3.720 7.300 ( 0.209 -1.444 -0.171) 1.469 7.324 ( -1.165 -1.703 -3.452) 4.022 7.511 ( -4.380 -2.582 0.746) 5.139 7.572 ( -0.873 -3.316 2.575) 4.288 7.659 ( -0.984 0.470 -0.813) 1.360 7.750 ( -0.391 -0.279 0.222) 0.529 7.820 ( -1.742 3.236 0.559) 3.717 7.930 ( 7.653 -0.100 -1.611) 7.822 8.092 ( 0.040 -1.674 2.130) 2.709 8.137 ( 0.246 -0.192 0.933) 0.984 8.293 ( -2.922 2.938 0.792) 4.219 8.350 ( 1.001 -1.065 -0.001) 1.462 8.392 ( 1.064 -1.508 -1.872) 2.629 8.474 ( 0.322 1.414 -0.595) 1.568 8.523 ( -0.788 -2.384 0.084) 2.513 8.618 ( 0.389 -5.107 -0.529) 5.150 8.844 ( -0.194 4.046 -1.350) 4.269 8.921 ( 0.216 -0.943 2.192) 2.396 9.167 ( -1.652 -0.191 -1.130) 2.011 9.245 ( -3.941 -0.123 1.265) 4.140 9.680 ( 1.736 -3.100 0.811) 3.644 9.731 ( 2.411 -0.363 -0.904) 2.600 9.816 ( 0.629 6.489 -0.553) 6.543 9.875 ( -0.145 3.278 0.373) 3.303 10.082 ( -0.701 -3.526 -0.926) 3.713 10.103 ( 0.898 -3.143 1.260) 3.504======================= Grid point 82 (39/56) =======================q-point: ( 0.40 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.888 ( -1.016 6.113 2.157) 6.562 0.957 ( 0.878 8.842 -0.430) 8.896 1.108 ( 0.980 10.404 -1.937) 10.628 1.166 ( 1.300 9.820 0.840) 9.942 1.243 ( -0.568 10.514 -1.530) 10.640 1.283 ( -2.026 5.941 -1.037) 6.363 1.305 ( -1.009 6.421 -0.003) 6.500 1.336 ( -3.860 8.669 -0.688) 9.514 1.413 ( -1.831 7.464 -1.398) 7.811 1.461 ( -1.400 8.439 -0.203) 8.557 1.568 ( 0.616 3.732 -0.677) 3.842 1.603 ( -3.852 5.141 -0.004) 6.424 1.694 ( -0.593 6.733 -3.458) 7.593 1.793 ( -0.848 2.167 -0.262) 2.341 1.852 ( 1.520 4.288 2.293) 5.094 1.890 ( -1.015 2.311 1.410) 2.891 2.078 ( -1.140 8.410 -1.282) 8.584 2.121 ( -0.231 1.998 3.615) 4.137 2.161 ( 1.664 8.238 -1.115) 8.478 2.225 ( 2.213 0.809 -0.257) 2.370 2.452 ( -0.257 8.444 4.065) 9.375 2.568 ( 1.482 5.000 1.280) 5.370 2.585 ( 2.222 9.714 1.345) 10.055 2.644 ( -0.465 10.651 -1.970) 10.841 2.714 ( 5.390 10.745 -3.203) 12.441 2.790 ( -2.788 9.968 0.798) 10.381 2.962 ( -0.180 12.705 -1.364) 12.780 3.013 ( 0.632 -2.775 3.281) 4.344 3.069 ( -0.111 1.101 -1.284) 1.695 3.108 ( 0.040 3.799 -2.431) 4.511 3.145 ( 0.303 11.180 0.371) 11.191 3.285 ( -0.273 1.944 0.704) 2.086 3.352 ( 0.685 -0.448 0.864) 1.190 3.436 ( -3.106 10.768 0.014) 11.207 3.906 ( 0.083 5.964 0.228) 5.969 4.093 ( 0.053 -13.115 -0.380) 13.120 4.586 ( 2.143 -16.625 1.635) 16.842 4.716 ( -1.194 -2.756 -4.470) 5.385 4.825 ( 0.943 -3.281 0.232) 3.421 4.889 ( -2.698 4.222 -3.395) 6.053 5.048 ( 0.393 3.505 2.426) 4.281 5.178 ( 4.401 3.171 8.375) 9.978 5.401 ( -0.965 10.495 -1.833) 10.697 5.580 ( -1.647 9.087 -1.828) 9.415 5.627 ( -0.955 -3.297 -0.877) 3.543 5.810 ( 0.057 1.862 -0.435) 1.913 5.837 ( 1.124 2.385 0.307) 2.655 5.965 ( 1.427 -2.906 0.639) 3.300 6.095 ( 0.160 3.332 0.942) 3.466 6.148 ( 0.459 6.272 0.729) 6.331 6.242 ( 0.784 4.576 -0.781) 4.708 6.286 ( -0.699 1.224 -2.521) 2.888 6.429 ( 0.381 2.114 2.155) 3.042 6.498 ( 0.499 4.170 0.465) 4.226 6.606 ( 1.104 1.513 1.005) 2.126 6.623 ( -1.545 6.200 0.468) 6.407 6.687 ( -1.578 4.380 -1.571) 4.914 6.754 ( -3.526 10.082 -0.313) 10.686 6.867 ( -0.958 3.198 -3.295) 4.690 6.989 ( 4.062 5.886 1.114) 7.237 7.061 ( -0.765 -1.535 1.458) 2.251 7.115 ( 0.298 -3.560 -0.921) 3.689 7.159 ( -0.600 -0.808 1.509) 1.814 7.174 ( -0.028 -3.341 0.141) 3.344 7.294 ( -0.749 1.504 -1.720) 2.404 7.312 ( 0.677 -4.891 -3.564) 6.089 7.456 ( -1.047 -1.114 -0.616) 1.648 7.568 ( -0.546 -4.086 3.818) 5.619 7.641 ( -0.421 -1.342 -1.515) 2.067 7.742 ( -0.204 3.158 0.840) 3.274 7.802 ( -0.648 -1.305 0.072) 1.459 8.026 ( -0.732 2.095 4.106) 4.668 8.080 ( 3.626 -3.568 -3.629) 6.249 8.182 ( 2.396 1.138 0.741) 2.754 8.242 ( -2.358 2.512 2.324) 4.156 8.366 ( -0.975 -1.257 -5.424) 5.653 8.383 ( -0.247 -0.866 4.222) 4.317 8.475 ( 0.268 0.620 -2.383) 2.477 8.523 ( 0.583 -0.966 -0.143) 1.138 8.622 ( -0.096 -5.220 -0.031) 5.221 8.829 ( -1.169 3.428 0.141) 3.625 8.935 ( 1.025 -0.795 0.659) 1.455 9.149 ( -0.155 0.930 -0.572) 1.103 9.176 ( -2.823 1.447 0.960) 3.315 9.707 ( 0.696 -3.865 1.101) 4.079 9.770 ( 1.654 -1.073 -1.396) 2.416 9.824 ( 0.171 7.384 -0.378) 7.395 9.873 ( -0.149 2.104 0.327) 2.135 10.067 ( -0.617 -3.414 -1.030) 3.618 10.122 ( 0.681 -2.873 1.327) 3.237======================= Grid point 83 (40/56) =======================q-point: (-0.40 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( 1.387 5.692 1.886) 6.154 0.967 ( -0.099 8.209 -0.958) 8.265 1.114 ( 0.068 12.177 -2.551) 12.442 1.170 ( -0.250 9.044 1.404) 9.156 1.215 ( -3.046 9.434 -1.307) 9.999 1.262 ( 0.097 8.458 0.485) 8.472 1.319 ( 4.020 7.494 -1.038) 8.567 1.342 ( 3.947 7.343 -0.192) 8.338 1.435 ( 4.000 7.051 -2.984) 8.639 1.475 ( 2.257 6.053 -1.075) 6.550 1.555 ( -1.575 5.279 0.465) 5.529 1.596 ( 2.961 4.421 0.372) 5.334 1.672 ( -1.034 5.890 -1.918) 6.280 1.789 ( 0.923 4.862 -0.158) 4.951 1.878 ( 0.385 2.682 0.209) 2.718 1.893 ( 1.188 3.492 1.405) 3.947 2.044 ( -1.991 5.633 1.080) 6.072 2.120 ( -0.792 2.495 2.052) 3.326 2.160 ( -1.525 9.081 0.515) 9.222 2.250 ( 0.429 2.342 -1.771) 2.967 2.444 ( -1.305 8.140 4.065) 9.192 2.562 ( -1.348 5.770 0.840) 5.984 2.614 ( -1.473 14.839 2.043) 15.052 2.644 ( 0.920 6.727 -2.974) 7.413 2.679 ( -4.844 7.132 -0.886) 8.667 2.822 ( 3.161 11.307 -1.725) 11.867 2.929 ( -2.589 9.194 0.833) 9.588 3.019 ( 0.093 -1.991 3.174) 3.748 3.079 ( 0.618 5.964 -3.343) 6.865 3.125 ( 1.778 1.555 -1.989) 3.088 3.154 ( 0.450 9.771 -0.873) 9.820 3.285 ( 0.114 3.161 1.071) 3.339 3.319 ( -3.226 2.401 2.669) 4.826 3.443 ( 2.948 7.926 -0.196) 8.458 3.911 ( 0.319 6.100 0.002) 6.109 4.090 ( -0.384 -13.120 -0.194) 13.127 4.592 ( -1.855 -15.573 1.627) 15.768 4.696 ( 0.051 -2.686 -3.617) 4.505 4.839 ( 0.096 -2.965 0.886) 3.096 4.857 ( 0.069 3.350 -2.176) 3.995 5.036 ( -2.043 3.677 3.256) 5.319 5.262 ( 2.704 2.490 3.224) 4.889 5.396 ( -0.503 9.674 -1.883) 9.868 5.537 ( -0.115 3.843 0.086) 3.846 5.630 ( 0.853 1.939 -0.648) 2.215 5.817 ( 0.589 1.995 -0.689) 2.192 5.839 ( -0.884 2.642 0.271) 2.799 5.970 ( -1.149 -2.726 0.173) 2.964 6.103 ( 0.710 2.994 0.535) 3.123 6.154 ( 0.041 6.729 0.293) 6.736 6.256 ( 0.674 3.576 -2.074) 4.189 6.281 ( 0.094 2.899 -2.500) 3.829 6.406 ( -1.688 1.378 3.613) 4.219 6.497 ( -1.476 3.328 0.627) 3.695 6.602 ( -1.611 0.436 1.035) 1.964 6.642 ( -0.059 8.298 1.396) 8.415 6.665 ( 2.239 5.656 -1.778) 6.337 6.743 ( 2.792 9.881 0.286) 10.272 6.874 ( 1.853 3.160 -3.914) 5.361 7.003 ( -2.402 1.461 0.398) 2.839 7.047 ( -0.966 -5.583 3.190) 6.503 7.121 ( 0.495 4.417 -1.732) 4.770 7.158 ( -0.009 -3.478 0.808) 3.571 7.184 ( 1.549 -0.003 0.067) 1.551 7.277 ( -0.881 0.709 -1.126) 1.596 7.326 ( 1.186 -6.032 -3.844) 7.251 7.465 ( 1.868 -0.736 -1.528) 2.523 7.570 ( 0.560 -3.244 4.048) 5.217 7.642 ( 0.516 -1.937 -1.677) 2.613 7.749 ( 0.680 1.653 0.705) 1.921 7.790 ( -0.641 1.009 0.562) 1.321 7.973 ( -3.954 -1.100 3.363) 5.306 8.157 ( 3.393 -0.545 -4.767) 5.877 8.178 ( -2.847 1.529 0.280) 3.244 8.245 ( 1.581 -0.541 4.757) 5.042 8.314 ( -1.725 0.211 -0.936) 1.974 8.400 ( 0.228 0.333 0.004) 0.404 8.477 ( 0.311 0.001 -2.017) 2.041 8.536 ( 0.757 -1.034 -1.221) 1.771 8.614 ( -0.611 -5.289 0.678) 5.367 8.814 ( -0.300 3.596 0.941) 3.729 8.951 ( 0.329 -0.927 -0.281) 1.023 9.136 ( 0.098 1.061 0.387) 1.134 9.186 ( 2.661 1.308 0.187) 2.971 9.704 ( -1.153 -3.481 1.139) 3.840 9.775 ( -1.013 -1.553 -1.563) 2.425 9.822 ( -0.255 7.231 -0.262) 7.240 9.873 ( 0.094 2.397 0.341) 2.423 10.058 ( -0.199 -3.138 -0.306) 3.159 10.129 ( -0.045 -3.119 0.679) 3.193======================= Grid point 84 (41/56) =======================q-point: (-0.20 0.23 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( 3.140 8.694 0.339) 9.250 0.973 ( 1.368 10.683 0.330) 10.775 1.113 ( 0.016 13.347 -1.699) 13.455 1.129 ( -3.182 12.937 -2.901) 13.635 1.186 ( -0.861 8.224 1.030) 8.333 1.267 ( 0.420 9.848 -0.805) 9.890 1.390 ( 1.551 4.681 -0.216) 4.936 1.433 ( 4.633 8.611 0.229) 9.780 1.485 ( 1.466 9.553 1.440) 9.771 1.532 ( 2.845 3.858 -3.334) 5.839 1.563 ( 3.362 4.488 -1.611) 5.835 1.652 ( 2.424 5.026 0.594) 5.612 1.725 ( 7.647 4.004 -0.776) 8.667 1.815 ( 1.367 5.017 0.356) 5.212 1.860 ( -1.900 4.008 0.034) 4.436 1.928 ( 1.942 3.279 0.477) 3.841 2.015 ( -1.246 2.886 1.245) 3.381 2.087 ( -3.705 10.915 0.209) 11.529 2.120 ( -2.048 -0.323 0.488) 2.130 2.240 ( -0.930 7.048 0.528) 7.128 2.421 ( -1.368 6.404 4.571) 7.986 2.533 ( -5.439 13.425 0.424) 14.491 2.547 ( -0.430 10.444 1.153) 10.516 2.586 ( -3.653 5.873 -0.390) 6.927 2.684 ( 1.734 5.385 -2.383) 6.138 2.841 ( -0.953 10.656 -0.499) 10.710 2.902 ( 0.098 2.291 -0.877) 2.455 3.003 ( -2.936 -0.522 -2.161) 3.683 3.076 ( 0.657 8.490 -0.625) 8.539 3.150 ( 0.980 3.092 0.638) 3.306 3.171 ( 1.174 4.361 -1.747) 4.842 3.276 ( -0.992 6.385 4.301) 7.762 3.304 ( 0.722 0.477 -0.266) 0.906 3.499 ( 2.706 5.770 0.913) 6.438 3.916 ( 0.247 7.114 -0.432) 7.131 4.080 ( -0.494 -12.124 0.102) 12.134 4.537 ( -3.426 -17.465 0.654) 17.810 4.716 ( 2.136 -5.027 -1.474) 5.657 4.831 ( -0.654 -1.433 -1.403) 2.110 4.881 ( 2.065 4.526 1.564) 5.215 4.994 ( -2.596 2.464 4.249) 5.556 5.259 ( -2.636 2.135 -5.574) 6.524 5.395 ( 1.804 9.078 2.253) 9.526 5.566 ( 0.968 6.898 1.135) 7.057 5.656 ( 1.791 -0.603 -1.351) 2.323 5.809 ( -1.520 1.585 -0.122) 2.200 5.835 ( 0.793 0.299 -0.083) 0.852 5.928 ( -2.805 -3.214 -0.153) 4.269 6.118 ( 0.765 3.743 -0.946) 3.936 6.144 ( -1.391 7.138 -0.676) 7.304 6.262 ( -0.436 3.003 -0.049) 3.035 6.273 ( 1.338 6.531 -2.047) 6.974 6.409 ( -1.119 1.439 -1.044) 2.101 6.469 ( 0.988 6.007 2.075) 6.432 6.562 ( -1.498 -0.679 2.509) 3.000 6.640 ( 0.075 7.197 4.113) 8.290 6.748 ( 4.620 8.319 -2.350) 9.802 6.791 ( 0.561 7.563 3.312) 8.276 6.903 ( 1.100 4.412 -6.065) 7.581 6.948 ( -1.564 2.501 -1.295) 3.221 7.037 ( -0.686 -3.944 3.027) 5.019 7.122 ( -0.288 4.797 -2.369) 5.358 7.155 ( -0.179 -5.924 1.147) 6.037 7.202 ( -0.495 -0.996 -2.462) 2.702 7.272 ( 0.871 0.071 1.733) 1.941 7.341 ( 1.037 -5.909 -3.836) 7.121 7.510 ( 2.744 -1.380 0.685) 3.147 7.604 ( 2.131 -3.610 1.752) 4.544 7.647 ( 0.977 -1.891 -0.914) 2.316 7.758 ( -0.428 0.413 0.024) 0.595 7.785 ( -0.027 5.542 1.811) 5.831 7.912 ( -2.703 -1.311 -0.110) 3.007 8.097 ( -4.833 0.456 1.446) 5.065 8.184 ( 0.321 -1.516 -1.255) 1.994 8.290 ( 2.340 -2.048 2.033) 3.715 8.321 ( 1.840 2.166 -0.112) 2.844 8.386 ( -1.449 0.630 -1.106) 1.929 8.474 ( -0.559 0.190 -0.528) 0.792 8.543 ( 0.248 -2.055 -1.186) 2.385 8.609 ( 0.022 -4.969 0.268) 4.977 8.821 ( 0.787 3.976 0.416) 4.074 8.941 ( -1.138 -0.670 0.578) 1.441 9.164 ( 2.366 -0.367 -0.956) 2.578 9.248 ( 3.423 -0.171 1.064) 3.589 9.676 ( -1.728 -2.617 0.890) 3.260 9.736 ( -2.500 -0.591 -1.056) 2.778 9.814 ( -0.462 6.043 -0.457) 6.078 9.875 ( 0.092 3.604 0.372) 3.624 10.060 ( 0.423 -3.024 0.666) 3.125 10.123 ( -0.638 -3.612 -0.209) 3.674======================= Grid point 85 (42/56) =======================q-point: ( 0.00 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( -1.840 5.803 1.970) 6.399 1.187 ( 0.959 7.366 -1.507) 7.580 1.281 ( -0.273 6.960 -0.389) 6.977 1.314 ( 0.673 2.908 0.437) 3.017 1.345 ( 1.150 6.740 1.276) 6.955 1.409 ( -0.585 8.827 -3.703) 9.591 1.535 ( -0.404 9.066 -1.295) 9.166 1.549 ( -0.130 0.575 -0.139) 0.606 1.650 ( -0.268 4.654 0.190) 4.665 1.714 ( 1.897 4.944 -0.372) 5.309 1.760 ( -1.685 7.439 -1.662) 7.806 1.761 ( 0.658 9.037 -0.674) 9.086 1.863 ( -1.358 1.003 2.163) 2.744 1.895 ( 1.155 -0.183 1.703) 2.066 1.927 ( 2.706 5.058 0.548) 5.762 1.962 ( -2.064 -0.131 -1.224) 2.403 2.025 ( 1.064 -0.599 -1.398) 1.856 2.069 ( -1.169 2.888 -1.528) 3.470 2.226 ( -0.084 5.997 -0.552) 6.023 2.279 ( -1.495 -0.574 3.681) 4.014 2.465 ( 0.227 -4.367 2.298) 4.940 2.577 ( 1.652 4.667 2.498) 5.545 2.675 ( 1.315 -3.541 -2.236) 4.390 2.713 ( 0.199 0.846 3.838) 3.935 2.741 ( -4.183 -2.348 -2.237) 5.293 2.829 ( 2.148 4.232 -4.788) 6.741 2.890 ( -1.153 7.334 2.862) 7.956 3.019 ( 1.120 -4.120 -0.458) 4.293 3.157 ( -0.812 -1.095 3.338) 3.606 3.199 ( 0.725 9.040 -2.180) 9.327 3.254 ( 0.158 4.366 -3.112) 5.364 3.432 ( -1.154 8.495 1.508) 8.705 3.468 ( 0.708 10.018 0.612) 10.061 3.756 ( 0.149 13.556 0.950) 13.590 3.855 ( 0.258 -9.817 0.520) 9.834 4.091 ( -0.213 8.945 -0.749) 8.979 4.234 ( -0.104 -6.625 -0.738) 6.667 4.589 ( 0.191 -3.014 -0.612) 3.081 4.901 ( -0.222 6.842 -1.992) 7.129 5.032 ( 1.179 4.340 1.709) 4.810 5.074 ( -1.069 6.100 5.124) 8.038 5.306 ( -1.394 6.646 -3.382) 7.586 5.471 ( 2.698 -2.351 1.587) 3.915 5.517 ( -0.385 -5.400 1.164) 5.538 5.706 ( -0.281 -3.798 0.338) 3.823 5.781 ( -0.880 -2.141 -4.632) 5.178 5.891 ( -0.198 2.535 0.133) 2.546 5.904 ( 0.565 10.340 0.250) 10.358 6.195 ( -0.724 3.758 -2.305) 4.468 6.260 ( -0.365 6.772 1.736) 7.000 6.346 ( -0.288 3.980 0.847) 4.079 6.421 ( 1.114 4.336 -2.974) 5.375 6.456 ( -2.162 2.265 0.416) 3.159 6.475 ( 1.538 1.362 -1.313) 2.438 6.707 ( 3.432 4.533 4.689) 7.370 6.739 ( 0.790 -1.367 1.755) 2.361 6.794 ( -3.902 3.644 1.002) 5.432 6.898 ( -0.247 -3.319 -0.427) 3.356 6.954 ( 1.855 -2.766 -1.731) 3.754 6.980 ( -1.658 -1.201 1.233) 2.390 7.016 ( -1.014 -1.680 -0.159) 1.969 7.038 ( 1.920 0.450 -4.345) 4.772 7.126 ( 0.529 -0.740 -0.010) 0.910 7.224 ( -1.324 3.880 -0.167) 4.103 7.226 ( 0.257 -0.856 -0.143) 0.905 7.338 ( -0.430 3.534 0.485) 3.593 7.459 ( -0.406 -1.204 0.203) 1.287 7.588 ( 1.920 -2.177 3.080) 4.232 7.676 ( -1.243 -3.785 -2.269) 4.585 7.794 ( -3.947 6.105 1.536) 7.430 7.820 ( 4.793 3.656 -0.475) 6.047 7.995 ( -2.021 5.744 -0.810) 6.143 8.055 ( 2.716 0.004 -0.397) 2.745 8.145 ( -2.362 -0.956 0.224) 2.558 8.290 ( 1.608 -0.910 3.269) 3.755 8.347 ( -0.572 -0.184 -1.704) 1.807 8.396 ( -0.593 0.466 -0.677) 1.013 8.453 ( 0.923 -1.548 -0.768) 1.960 8.505 ( -0.115 -1.935 0.972) 2.169 8.536 ( -0.270 -1.307 -1.844) 2.276 8.882 ( 0.696 -0.029 1.311) 1.484 8.913 ( -0.622 -0.451 -0.702) 1.041 9.186 ( 0.043 1.297 -0.708) 1.478 9.266 ( -0.103 -0.365 1.151) 1.212 9.598 ( -0.041 -3.213 0.378) 3.235 9.646 ( 0.018 -4.101 -0.470) 4.128 9.907 ( 0.126 2.152 -0.826) 2.308 9.987 ( -0.029 2.978 0.799) 3.083 10.048 ( 0.444 1.839 0.451) 1.944 10.069 ( -0.484 1.228 -0.299) 1.354======================= Grid point 86 (43/56) =======================q-point: ( 0.20 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( -4.438 5.537 2.956) 7.687 1.150 ( -3.674 6.700 -0.484) 7.657 1.273 ( -0.947 6.645 -0.986) 6.784 1.297 ( -0.644 4.228 -1.308) 4.472 1.369 ( 0.247 4.091 -0.220) 4.104 1.421 ( 0.495 7.454 -1.131) 7.556 1.517 ( -1.594 9.364 -1.074) 9.559 1.550 ( 0.220 1.575 0.235) 1.607 1.617 ( -2.578 3.472 -0.406) 4.343 1.653 ( -6.451 9.780 -1.953) 11.878 1.696 ( -3.111 7.284 -0.850) 7.966 1.782 ( -0.566 4.382 0.086) 4.419 1.798 ( -5.057 4.370 -0.294) 6.690 1.884 ( -1.817 0.526 2.900) 3.462 1.899 ( 1.194 5.194 0.039) 5.329 1.977 ( -0.825 4.483 0.809) 4.630 2.086 ( 4.601 -1.519 -2.261) 5.346 2.110 ( 4.304 -0.908 -1.821) 4.761 2.218 ( -2.072 2.137 1.389) 3.285 2.273 ( 0.589 4.040 3.128) 5.144 2.480 ( 2.511 -3.376 -0.058) 4.208 2.626 ( 1.892 -0.704 -0.309) 2.042 2.649 ( -2.542 1.701 4.204) 5.199 2.728 ( 0.895 6.132 -2.743) 6.777 2.766 ( 3.980 -11.077 2.040) 11.946 2.863 ( 4.587 6.121 -1.842) 7.868 2.909 ( 0.746 3.526 -0.126) 3.606 3.079 ( 4.579 -0.373 0.335) 4.607 3.151 ( 0.215 2.090 1.425) 2.539 3.205 ( -0.340 6.740 -0.100) 6.749 3.259 ( 1.006 5.679 -4.077) 7.063 3.407 ( -1.626 8.797 1.290) 9.039 3.480 ( 0.432 9.588 0.737) 9.626 3.743 ( -1.553 14.088 0.817) 14.197 3.852 ( -0.618 -10.790 0.071) 10.808 4.078 ( -0.949 8.892 -0.545) 8.959 4.266 ( 3.512 -6.764 -0.193) 7.624 4.587 ( -0.225 -3.241 -0.837) 3.355 4.897 ( 0.235 6.724 -0.846) 6.781 5.036 ( -0.943 4.092 -0.934) 4.302 5.102 ( 2.947 5.133 6.007) 8.434 5.273 ( -1.581 8.463 -0.174) 8.612 5.472 ( -1.858 -4.278 -1.798) 4.999 5.536 ( 0.973 -4.449 0.006) 4.555 5.696 ( 0.128 -0.416 -0.582) 0.727 5.807 ( 1.797 -3.471 -1.485) 4.181 5.870 ( 0.414 3.751 -0.242) 3.781 5.934 ( 1.789 8.271 -0.071) 8.463 6.174 ( -1.153 3.706 -0.035) 3.881 6.263 ( 0.212 6.673 1.998) 6.969 6.330 ( -1.187 3.480 0.412) 3.700 6.397 ( -1.351 4.443 -3.002) 5.530 6.473 ( 1.662 3.701 -0.166) 4.061 6.531 ( 3.974 0.229 -0.189) 3.985 6.632 ( -5.353 4.247 0.837) 6.884 6.748 ( -1.721 1.990 1.360) 2.961 6.826 ( 1.759 -4.949 1.701) 5.521 6.862 ( -2.067 0.319 -0.788) 2.235 6.931 ( -2.939 1.867 0.912) 3.599 6.983 ( 0.750 -5.740 0.219) 5.793 7.034 ( 2.574 -0.050 -1.336) 2.900 7.052 ( 0.308 1.447 -2.627) 3.015 7.122 ( -0.260 -1.670 -1.553) 2.296 7.194 ( -3.257 -2.953 1.128) 4.539 7.223 ( 0.449 5.710 0.681) 5.768 7.352 ( 1.383 3.376 0.400) 3.670 7.453 ( 0.038 -0.726 0.919) 1.172 7.583 ( -3.441 1.910 -0.461) 3.963 7.650 ( -2.592 -2.679 -1.399) 3.982 7.699 ( -0.282 -1.235 1.971) 2.343 7.892 ( -3.844 4.270 1.623) 5.971 7.992 ( 6.627 3.754 -3.770) 8.499 8.094 ( -2.281 1.146 1.994) 3.239 8.148 ( 4.646 1.045 0.758) 4.822 8.323 ( 1.640 -0.960 2.178) 2.890 8.328 ( -1.195 -1.067 -2.062) 2.611 8.371 ( -2.197 0.970 0.077) 2.403 8.460 ( 0.251 -1.610 -1.437) 2.173 8.515 ( 0.752 -1.098 1.062) 1.703 8.532 ( 0.163 -1.921 -1.702) 2.572 8.894 ( -0.853 -1.269 1.259) 1.980 8.897 ( 0.249 0.539 -0.745) 0.953 9.178 ( -0.482 1.653 -0.618) 1.830 9.245 ( -2.125 0.474 1.078) 2.430 9.611 ( 1.156 -3.421 0.462) 3.640 9.660 ( 1.327 -4.395 -0.592) 4.629 9.915 ( 0.868 1.995 -0.710) 2.288 9.978 ( -0.932 2.607 0.515) 2.816 10.053 ( 0.113 2.472 -0.386) 2.504 10.076 ( 0.948 1.124 0.679) 1.620======================= Grid point 87 (44/56) =======================q-point: ( 0.40 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( -2.510 5.594 3.564) 7.092 1.099 ( -1.420 5.049 -0.012) 5.245 1.248 ( -1.051 3.127 -2.301) 4.022 1.287 ( -0.194 3.075 -1.014) 3.243 1.365 ( -0.514 5.497 0.965) 5.605 1.413 ( -0.159 7.302 -0.913) 7.360 1.480 ( -1.818 7.913 0.785) 8.157 1.538 ( -1.297 5.548 -1.817) 5.981 1.544 ( -3.263 11.215 -2.525) 11.950 1.586 ( -0.748 2.318 -1.925) 3.104 1.666 ( -0.162 7.371 -0.128) 7.374 1.709 ( -2.880 5.330 0.299) 6.066 1.785 ( -0.030 5.772 -0.692) 5.813 1.885 ( 0.735 0.257 3.129) 3.225 1.930 ( 1.916 4.553 -0.024) 4.940 1.951 ( -1.689 7.031 0.972) 7.296 2.126 ( -0.784 -0.644 3.201) 3.358 2.166 ( -1.556 -0.554 0.079) 1.654 2.189 ( 3.471 0.483 -5.315) 6.366 2.301 ( 1.627 2.884 0.726) 3.390 2.547 ( 4.078 -0.454 0.250) 4.111 2.597 ( -4.300 3.238 6.035) 8.087 2.637 ( 0.313 -5.071 -2.478) 5.653 2.769 ( 3.124 2.139 -0.903) 3.892 2.820 ( 0.403 -7.795 1.438) 7.937 2.902 ( -0.514 4.439 -1.938) 4.871 2.951 ( 3.773 3.153 1.381) 5.107 3.129 ( 0.224 3.394 3.447) 4.842 3.177 ( -0.973 2.942 -2.853) 4.213 3.199 ( 2.820 7.262 0.563) 7.811 3.266 ( 0.081 6.794 -3.489) 7.638 3.384 ( -0.706 8.525 -0.376) 8.562 3.485 ( 0.001 9.742 1.260) 9.823 3.715 ( -1.272 14.863 0.827) 14.940 3.840 ( -0.473 -11.686 -0.232) 11.698 4.065 ( -0.229 8.640 -0.109) 8.644 4.338 ( 3.266 -6.966 0.612) 7.718 4.579 ( -0.514 -3.393 -1.332) 3.681 4.910 ( 1.174 6.428 0.538) 6.557 4.995 ( -2.843 5.609 -3.021) 6.977 5.173 ( 2.619 6.567 4.552) 8.409 5.265 ( 0.939 5.910 4.095) 7.251 5.427 ( -2.513 -9.303 -2.113) 9.866 5.523 ( -1.211 -0.422 -3.634) 3.854 5.703 ( -0.053 2.648 -0.026) 2.648 5.813 ( 0.645 -0.324 -0.883) 1.141 5.912 ( 2.152 -1.367 -0.079) 2.550 5.967 ( 1.464 8.588 0.118) 8.712 6.160 ( -0.419 3.543 2.486) 4.348 6.269 ( -0.050 5.703 1.958) 6.030 6.315 ( -0.189 2.977 -2.423) 3.843 6.378 ( -0.081 6.756 -2.470) 7.194 6.486 ( -0.584 2.800 1.250) 3.122 6.548 ( -1.235 -0.271 0.525) 1.369 6.618 ( 2.185 4.432 0.078) 4.942 6.734 ( 0.089 3.126 -0.747) 3.215 6.790 ( -2.151 -8.957 0.419) 9.221 6.838 ( -1.732 5.453 0.082) 5.722 6.906 ( 0.140 2.084 -0.450) 2.137 6.982 ( -0.529 -5.955 1.088) 6.076 7.037 ( -1.470 4.410 -0.322) 4.659 7.072 ( 0.636 -2.836 -0.975) 3.065 7.132 ( 0.660 1.569 -3.312) 3.724 7.136 ( -1.744 -8.722 0.673) 8.920 7.240 ( 1.489 3.493 3.419) 5.110 7.368 ( 0.219 6.356 -1.102) 6.454 7.476 ( 2.092 0.680 1.468) 2.645 7.521 ( -2.382 1.276 0.136) 2.705 7.604 ( -1.315 -2.511 -1.511) 3.212 7.718 ( -0.341 -5.012 -0.281) 5.031 7.825 ( -1.712 4.399 1.325) 4.903 8.054 ( -2.339 2.247 2.800) 4.285 8.101 ( 5.188 2.436 -3.548) 6.740 8.217 ( 1.986 1.280 1.109) 2.610 8.301 ( -1.412 1.306 -0.334) 1.952 8.319 ( -2.474 -0.729 -0.794) 2.699 8.365 ( 2.227 -0.560 1.832) 2.938 8.456 ( -0.522 -1.513 -1.500) 2.194 8.528 ( 0.552 -0.991 0.053) 1.135 8.533 ( -0.013 -2.230 -0.918) 2.411 8.870 ( -1.203 0.580 0.475) 1.417 8.909 ( 0.748 -1.571 -0.056) 1.741 9.173 ( -0.140 1.852 -0.200) 1.868 9.210 ( -1.261 2.027 0.725) 2.495 9.631 ( 0.680 -3.646 0.541) 3.748 9.680 ( 0.701 -4.903 -0.754) 5.010 9.934 ( 1.160 1.696 -0.331) 2.081 9.958 ( -1.295 2.243 0.039) 2.590 10.055 ( 0.100 3.768 -0.388) 3.790 10.092 ( 0.572 0.595 0.821) 1.164======================= Grid point 88 (45/56) =======================q-point: (-0.40 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.016 ( 3.284 6.129 3.212) 7.659 1.096 ( 1.117 4.579 0.004) 4.713 1.247 ( 1.251 2.382 -2.378) 3.591 1.289 ( 0.492 2.861 -1.391) 3.219 1.358 ( -0.590 6.550 1.252) 6.695 1.418 ( 0.761 7.596 -0.940) 7.692 1.490 ( 3.407 8.165 1.072) 8.911 1.529 ( 0.861 7.720 -2.420) 8.136 1.545 ( 3.095 7.186 -2.331) 8.164 1.583 ( 0.914 2.615 -1.893) 3.356 1.662 ( -0.352 6.904 0.180) 6.916 1.707 ( 2.605 6.002 0.592) 6.570 1.778 ( -0.607 6.822 0.123) 6.850 1.897 ( -0.061 0.832 1.691) 1.886 1.926 ( -0.845 4.133 0.460) 4.243 1.963 ( 1.082 5.016 0.596) 5.166 2.088 ( -2.811 2.170 2.840) 4.547 2.141 ( -0.902 -0.680 -0.504) 1.237 2.235 ( 1.302 -0.275 -2.819) 3.117 2.330 ( 1.793 3.531 -2.220) 4.540 2.511 ( -5.779 -0.514 4.805) 7.533 2.603 ( 0.762 -3.372 -1.130) 3.637 2.649 ( 2.136 0.543 1.440) 2.632 2.756 ( -4.295 -5.042 0.534) 6.644 2.821 ( -0.319 4.230 1.400) 4.468 2.906 ( 0.869 1.629 -3.196) 3.691 2.975 ( -1.836 0.638 0.651) 2.050 3.107 ( -3.424 6.627 3.369) 8.185 3.146 ( -0.560 0.712 0.427) 1.001 3.245 ( -0.250 5.520 -0.720) 5.572 3.249 ( 0.180 7.811 -3.895) 8.730 3.392 ( 1.764 8.344 -1.197) 8.612 3.482 ( -0.675 10.148 1.632) 10.301 3.711 ( 0.703 14.854 1.081) 14.910 3.837 ( 0.168 -11.544 -0.078) 11.546 4.070 ( 0.768 8.640 -0.378) 8.682 4.346 ( -2.762 -7.190 0.144) 7.703 4.572 ( 0.212 -3.140 -0.954) 3.289 4.931 ( -0.510 6.881 -0.067) 6.901 4.953 ( 0.509 5.816 -0.539) 5.863 5.174 ( -2.543 8.581 3.461) 9.596 5.322 ( 3.276 2.312 3.293) 5.188 5.393 ( -0.558 -10.331 -2.581) 10.663 5.501 ( -0.521 1.638 -1.789) 2.481 5.705 ( 0.629 2.057 -0.096) 2.153 5.828 ( 0.916 0.353 -1.648) 1.919 5.917 ( -1.793 -1.356 -0.663) 2.343 5.967 ( -1.604 8.261 0.115) 8.416 6.175 ( 1.608 4.216 2.527) 5.172 6.265 ( -0.222 3.893 0.200) 3.905 6.317 ( 0.816 3.798 -3.247) 5.063 6.397 ( 2.440 7.082 -2.519) 7.903 6.458 ( -2.162 2.884 3.093) 4.749 6.537 ( -0.739 -0.508 1.484) 1.734 6.612 ( -2.580 4.103 0.413) 4.865 6.732 ( 0.171 1.097 -0.502) 1.218 6.804 ( 2.580 -8.968 -0.121) 9.333 6.837 ( 2.130 7.850 -0.165) 8.136 6.925 ( 1.854 1.203 -2.041) 3.008 6.974 ( -1.372 -3.130 2.311) 4.125 7.004 ( -0.523 3.584 1.084) 3.780 7.083 ( 0.837 -3.950 -1.300) 4.241 7.105 ( -1.933 0.419 -1.076) 2.251 7.145 ( 1.566 -6.819 0.100) 6.997 7.279 ( 1.354 1.163 0.799) 1.955 7.362 ( -0.281 8.560 -1.277) 8.659 7.486 ( -1.527 0.675 0.481) 1.737 7.525 ( 2.587 0.067 0.708) 2.683 7.593 ( -0.096 -2.278 -1.188) 2.571 7.697 ( -0.162 -4.558 1.035) 4.677 7.848 ( 3.026 4.286 -0.082) 5.247 8.011 ( -3.032 3.693 2.388) 5.342 8.163 ( 1.917 0.649 -5.113) 5.499 8.207 ( -2.795 -1.271 2.132) 3.738 8.262 ( -2.080 2.989 1.435) 3.914 8.320 ( 1.879 1.024 0.631) 2.231 8.403 ( 1.396 -0.157 0.273) 1.432 8.437 ( -1.230 -2.536 -1.681) 3.282 8.526 ( -0.487 -3.541 -0.317) 3.588 8.538 ( 0.496 0.363 -0.509) 0.798 8.859 ( -0.052 0.953 0.877) 1.296 8.920 ( 0.392 -2.100 -0.484) 2.191 9.167 ( -0.116 2.295 0.224) 2.309 9.215 ( 1.371 1.746 0.362) 2.250 9.631 ( -0.742 -3.600 0.527) 3.713 9.680 ( -0.577 -4.965 -0.752) 5.055 9.934 ( -1.213 1.683 -0.340) 2.102 9.956 ( 1.223 2.145 0.143) 2.473 10.053 ( -0.329 4.107 -0.165) 4.124 10.096 ( -0.333 0.390 0.553) 0.755======================= Grid point 89 (46/56) =======================q-point: (-0.20 0.31 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 4.447 7.270 3.034) 9.046 1.138 ( 3.186 5.924 -1.339) 6.858 1.272 ( 1.709 2.974 -1.139) 3.615 1.291 ( -0.074 3.995 -1.606) 4.306 1.347 ( -0.547 7.782 0.914) 7.855 1.433 ( -0.023 7.584 -1.426) 7.717 1.533 ( 0.972 8.004 -1.815) 8.265 1.553 ( 0.333 2.013 -0.246) 2.055 1.620 ( 3.067 4.386 -0.203) 5.356 1.635 ( 5.814 7.008 -1.083) 9.169 1.689 ( 4.117 7.327 -0.533) 8.422 1.777 ( 1.062 7.636 0.481) 7.725 1.792 ( 5.735 3.571 0.466) 6.771 1.893 ( -0.621 0.729 1.702) 1.953 1.911 ( -0.966 3.358 -0.736) 3.571 1.965 ( -0.356 1.985 1.488) 2.506 2.058 ( -0.917 2.824 -0.557) 3.021 2.113 ( -2.731 0.233 -0.571) 2.800 2.233 ( -0.465 2.725 -0.543) 2.818 2.333 ( -3.036 3.059 -0.681) 4.363 2.441 ( -0.261 -2.562 3.472) 4.323 2.585 ( -1.662 -3.805 -0.205) 4.157 2.674 ( -1.612 -1.499 0.868) 2.366 2.717 ( 0.865 -0.325 4.368) 4.464 2.791 ( -0.887 5.659 -3.022) 6.476 2.867 ( -6.620 0.467 -2.110) 6.964 2.924 ( -1.289 3.302 -0.744) 3.622 3.044 ( -3.409 1.913 2.007) 4.394 3.152 ( 0.672 -2.845 2.538) 3.871 3.210 ( -1.571 8.939 -1.905) 9.274 3.257 ( 0.175 5.569 -2.917) 6.289 3.428 ( 1.717 8.162 -0.723) 8.372 3.467 ( -1.003 10.387 2.021) 10.629 3.737 ( 1.570 14.433 1.270) 14.573 3.845 ( 0.615 -10.722 0.328) 10.744 4.086 ( 0.846 9.007 -0.924) 9.094 4.273 ( -3.867 -7.371 -0.582) 8.344 4.581 ( 0.691 -2.872 -0.473) 2.992 4.910 ( -0.631 6.952 -2.061) 7.279 4.994 ( 2.419 5.035 2.862) 6.277 5.117 ( -3.717 7.670 3.738) 9.307 5.336 ( -1.104 4.132 -5.013) 6.589 5.417 ( 2.479 -5.462 3.664) 7.029 5.508 ( 1.158 -3.027 0.649) 3.305 5.710 ( -0.334 -1.580 -0.555) 1.707 5.842 ( -1.646 -2.241 -4.183) 5.023 5.861 ( -0.657 3.149 0.496) 3.255 5.929 ( -1.996 8.866 0.426) 9.098 6.200 ( 0.589 4.207 -1.332) 4.452 6.266 ( -0.154 5.105 1.177) 5.241 6.334 ( 1.328 3.538 -1.572) 4.093 6.409 ( -0.316 5.795 -1.735) 6.057 6.464 ( 0.959 1.981 -0.134) 2.205 6.517 ( -2.763 0.178 0.883) 2.906 6.590 ( 3.340 5.943 3.173) 7.520 6.742 ( 0.521 0.349 1.676) 1.789 6.851 ( 0.802 -5.496 -0.966) 5.638 6.869 ( 0.867 1.861 1.051) 2.306 6.948 ( -0.817 0.673 1.182) 1.587 6.959 ( 2.505 -0.793 -0.199) 2.635 7.022 ( 1.143 1.904 -2.003) 2.990 7.054 ( -2.667 0.007 -1.517) 3.068 7.105 ( 1.303 -3.080 0.021) 3.344 7.190 ( 2.695 -5.218 0.781) 5.925 7.268 ( -2.110 3.554 -2.584) 4.874 7.355 ( -0.851 6.957 0.710) 7.044 7.467 ( -0.719 -2.210 0.547) 2.388 7.553 ( 1.182 -2.578 0.755) 2.935 7.641 ( 5.360 1.591 -0.245) 5.597 7.714 ( 1.318 -1.694 0.712) 2.262 7.902 ( -0.138 4.906 2.176) 5.368 7.957 ( -0.409 4.284 -2.589) 5.022 8.116 ( -5.441 0.319 1.085) 5.557 8.176 ( -0.867 0.032 -1.934) 2.120 8.259 ( 1.013 -0.036 2.849) 3.024 8.349 ( 0.737 0.976 0.348) 1.271 8.408 ( -0.617 0.018 -3.152) 3.212 8.430 ( 1.105 -2.266 1.135) 2.764 8.515 ( -0.758 -2.904 0.131) 3.004 8.542 ( 0.024 -0.352 -1.283) 1.331 8.867 ( 0.649 0.730 1.151) 1.509 8.921 ( -0.213 -1.560 -0.517) 1.657 9.176 ( 0.890 1.853 -0.468) 2.108 9.247 ( 1.722 0.407 0.929) 1.998 9.611 ( -1.245 -3.357 0.443) 3.608 9.660 ( -1.210 -4.498 -0.611) 4.697 9.914 ( -0.766 2.025 -0.630) 2.254 9.977 ( 0.918 2.229 0.597) 2.483 10.046 ( -0.270 3.555 0.157) 3.569 10.084 ( -0.881 0.444 0.070) 0.989======================= Grid point 90 (47/56) =======================q-point: ( 0.00 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( -1.582 1.372 -0.500) 2.153 1.233 ( -0.803 -3.346 -0.334) 3.457 1.308 ( 2.932 0.961 2.538) 3.995 1.368 ( -0.060 2.731 -1.877) 3.314 1.460 ( -0.125 3.386 -0.088) 3.389 1.535 ( -0.257 -1.110 -0.303) 1.179 1.583 ( -0.443 8.393 -0.498) 8.419 1.684 ( 0.493 4.875 -0.944) 4.990 1.705 ( 0.320 1.732 -0.072) 1.763 1.786 ( -0.208 2.396 -0.860) 2.554 1.846 ( -0.448 -0.215 0.892) 1.021 1.859 ( 0.625 2.635 1.330) 3.017 1.904 ( -0.598 2.783 -0.679) 2.926 1.925 ( 1.365 0.771 -1.063) 1.894 1.938 ( 0.904 5.185 -0.572) 5.295 1.984 ( -0.031 -1.077 -0.117) 1.084 2.088 ( -2.682 -1.552 0.981) 3.251 2.114 ( -0.010 3.475 0.726) 3.550 2.224 ( -0.350 -4.690 0.997) 4.808 2.318 ( 1.086 6.346 -0.494) 6.457 2.383 ( -1.760 -1.931 2.969) 3.955 2.475 ( 0.663 -11.029 -0.060) 11.049 2.529 ( 1.910 -5.504 -6.854) 8.995 2.737 ( -0.905 5.270 6.778) 8.633 2.825 ( -1.202 0.187 0.767) 1.438 2.887 ( 0.572 2.154 -4.532) 5.051 2.968 ( -1.535 -0.191 0.255) 1.567 2.996 ( 1.707 -0.166 0.950) 1.961 3.170 ( 0.845 6.249 1.180) 6.415 3.318 ( -1.229 3.411 -1.678) 3.995 3.379 ( 0.960 5.927 -0.750) 6.051 3.513 ( -0.081 -0.407 0.969) 1.054 3.624 ( -0.139 5.721 1.438) 5.901 3.725 ( 0.023 -1.801 -1.052) 2.086 4.017 ( -0.176 11.392 0.958) 11.434 4.227 ( -0.143 6.140 0.366) 6.152 4.249 ( 0.494 5.464 -1.539) 5.699 4.661 ( -0.003 9.606 -0.320) 9.611 4.982 ( -0.446 -6.209 3.617) 7.200 5.083 ( 0.924 6.714 -3.205) 7.496 5.194 ( -2.133 5.144 3.683) 6.676 5.381 ( 0.388 -4.508 -0.422) 4.544 5.393 ( 2.897 -1.032 3.038) 4.322 5.475 ( -1.032 1.665 -3.036) 3.613 5.674 ( 0.129 1.624 0.365) 1.670 5.775 ( -1.267 4.093 -4.601) 6.287 5.963 ( 0.576 5.238 -0.385) 5.284 6.085 ( -0.195 5.193 0.393) 5.212 6.257 ( -0.420 1.929 -1.954) 2.778 6.315 ( 0.146 -4.169 0.126) 4.174 6.362 ( 0.121 0.634 4.015) 4.066 6.442 ( -1.287 2.123 0.932) 2.652 6.487 ( 1.632 0.519 -0.795) 1.888 6.598 ( -1.951 -0.871 -0.518) 2.199 6.617 ( 1.314 2.650 -2.375) 3.793 6.715 ( 0.346 -8.007 -0.219) 8.018 6.816 ( 0.140 -4.361 1.130) 4.507 6.863 ( 3.119 -0.609 1.055) 3.348 6.898 ( -3.273 1.186 1.683) 3.867 6.946 ( 0.427 0.056 -2.794) 2.827 6.970 ( -0.963 0.878 -0.724) 1.491 7.052 ( 0.679 -1.214 1.747) 2.233 7.096 ( 0.725 -1.938 -2.036) 2.903 7.165 ( -0.838 -4.152 1.461) 4.481 7.381 ( 0.857 6.666 0.119) 6.722 7.395 ( -0.860 3.148 0.597) 3.318 7.481 ( 0.104 1.341 -0.428) 1.411 7.587 ( 1.812 4.214 3.041) 5.504 7.657 ( -2.264 0.297 -2.922) 3.709 7.879 ( -4.733 2.633 0.206) 5.420 7.903 ( 6.748 3.897 1.569) 7.949 8.029 ( -4.497 -2.219 -0.068) 5.015 8.057 ( 3.161 0.277 -0.997) 3.326 8.146 ( -0.347 1.028 -1.990) 2.267 8.306 ( 0.590 1.735 3.264) 3.743 8.334 ( -1.144 -1.272 2.618) 3.128 8.381 ( 0.493 0.070 -2.809) 2.852 8.431 ( 0.212 -0.950 -2.091) 2.306 8.491 ( 0.236 0.756 0.253) 0.831 8.532 ( -0.339 -0.141 -0.541) 0.654 8.860 ( -0.076 -1.593 1.100) 1.938 8.888 ( 0.214 -1.984 -0.898) 2.188 9.233 ( -0.048 2.997 -0.251) 3.007 9.275 ( -0.049 1.048 0.611) 1.214 9.546 ( -0.017 -1.959 0.177) 1.967 9.574 ( 0.012 -3.016 -0.213) 3.024 9.905 ( 0.121 -0.969 -0.666) 1.183 9.966 ( -0.047 -2.400 0.662) 2.490 10.134 ( -0.042 3.847 0.023) 3.848 10.137 ( 0.001 4.230 0.111) 4.231======================= Grid point 91 (48/56) =======================q-point: ( 0.20 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( -4.079 2.524 1.543) 5.039 1.191 ( -3.534 -1.779 0.484) 3.986 1.331 ( -0.794 1.465 -1.495) 2.239 1.340 ( -1.977 0.767 -1.230) 2.451 1.453 ( -0.393 2.975 0.035) 3.001 1.538 ( 0.145 -1.031 -0.079) 1.044 1.567 ( -0.903 6.846 0.047) 6.905 1.657 ( -3.302 3.980 -1.539) 5.395 1.690 ( -0.976 3.784 -0.542) 3.945 1.783 ( 0.038 4.198 -0.647) 4.248 1.806 ( -2.558 3.469 -0.439) 4.332 1.855 ( -1.258 2.689 2.706) 4.017 1.880 ( -1.671 3.618 0.390) 4.005 1.934 ( -0.137 6.531 0.648) 6.564 1.953 ( -0.810 0.505 -1.210) 1.541 2.024 ( 5.130 -3.054 -3.047) 6.703 2.062 ( 0.105 -1.553 2.151) 2.655 2.153 ( 2.749 5.219 1.058) 5.993 2.206 ( -2.310 -2.505 0.501) 3.444 2.337 ( -0.447 3.119 1.086) 3.333 2.402 ( 5.161 -1.752 -1.276) 5.598 2.469 ( -0.533 -11.654 1.923) 11.824 2.568 ( 2.940 -6.642 -7.481) 10.427 2.731 ( -1.957 3.836 8.415) 9.453 2.822 ( 1.390 0.381 0.759) 1.629 2.861 ( -2.456 -0.092 -0.186) 2.465 2.978 ( 3.002 1.202 -3.826) 5.010 3.072 ( 4.134 -2.277 1.659) 5.003 3.196 ( 1.693 5.194 -0.921) 5.540 3.318 ( 1.590 5.396 0.713) 5.671 3.396 ( 0.844 5.013 -1.689) 5.357 3.515 ( 0.069 1.147 0.839) 1.423 3.621 ( -0.325 4.842 1.065) 4.968 3.711 ( -1.331 -2.157 -0.945) 2.705 4.002 ( -1.367 11.387 1.210) 11.532 4.218 ( -1.035 5.169 -0.669) 5.314 4.278 ( 2.975 6.714 -0.862) 7.394 4.652 ( -0.700 9.190 -0.249) 9.220 4.975 ( -0.828 -4.553 3.511) 5.809 5.088 ( 0.361 4.934 -3.663) 6.156 5.196 ( 1.275 3.807 5.036) 6.441 5.342 ( -3.961 -6.478 -0.815) 7.636 5.436 ( 0.487 6.071 0.994) 6.172 5.471 ( 1.563 -1.933 -2.601) 3.598 5.714 ( 3.598 1.961 0.402) 4.117 5.781 ( 2.097 3.653 -2.653) 4.978 5.948 ( -1.420 5.222 -1.018) 5.506 6.092 ( 0.483 4.593 0.290) 4.628 6.243 ( -0.829 3.185 -0.906) 3.414 6.320 ( 0.313 -3.926 0.545) 3.976 6.367 ( -0.123 1.317 2.721) 3.025 6.433 ( 0.443 1.012 1.725) 2.049 6.509 ( 0.464 -0.877 -1.792) 2.048 6.580 ( 0.093 -0.604 -0.307) 0.684 6.635 ( 0.601 1.804 -1.191) 2.244 6.724 ( -0.769 -0.730 0.742) 1.294 6.787 ( -0.778 -6.052 0.531) 6.125 6.806 ( -4.438 -0.412 -2.833) 5.281 6.914 ( 0.930 -2.647 1.034) 2.990 6.936 ( -0.985 -0.546 1.338) 1.749 6.978 ( 0.965 1.630 -1.586) 2.471 7.061 ( -0.536 -1.489 0.307) 1.612 7.116 ( 1.416 0.227 -1.365) 1.980 7.156 ( -0.289 -3.341 2.042) 3.927 7.362 ( -2.556 4.600 0.147) 5.265 7.409 ( 1.807 3.911 0.611) 4.352 7.464 ( -1.543 0.507 -0.776) 1.800 7.603 ( -2.752 0.227 -1.989) 3.403 7.630 ( 1.971 2.886 3.151) 4.706 7.761 ( -5.384 6.033 -0.128) 8.087 7.937 ( -4.655 -0.884 0.149) 4.740 8.048 ( 6.586 2.710 -0.549) 7.143 8.115 ( 1.226 0.524 1.869) 2.296 8.150 ( 2.025 -1.495 -3.274) 4.130 8.302 ( -1.119 -0.027 1.458) 1.838 8.329 ( 0.525 1.195 2.560) 2.874 8.387 ( 0.155 -0.323 -1.314) 1.362 8.437 ( 0.301 -0.602 -1.169) 1.348 8.482 ( -0.581 -0.104 -1.050) 1.204 8.532 ( 0.143 -0.124 0.063) 0.200 8.858 ( -0.203 -1.715 0.942) 1.967 8.887 ( -0.287 -1.614 -0.823) 1.834 9.227 ( -0.458 2.896 -0.191) 2.939 9.265 ( -0.953 1.361 0.532) 1.745 9.556 ( 0.870 -2.085 0.203) 2.268 9.585 ( 1.032 -3.059 -0.254) 3.238 9.910 ( 0.464 -1.106 -0.634) 1.357 9.963 ( -0.291 -2.148 0.579) 2.244 10.138 ( 0.422 3.734 0.068) 3.758 10.141 ( 0.373 4.178 0.095) 4.195======================= Grid point 92 (49/56) =======================q-point: ( 0.40 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( -2.147 3.436 2.444) 4.732 1.134 ( -1.886 -0.766 0.369) 2.069 1.284 ( -1.888 1.806 -3.065) 4.028 1.327 ( -0.440 0.865 0.030) 0.971 1.450 ( 0.039 2.700 0.321) 2.719 1.527 ( -0.563 3.039 -0.713) 3.172 1.552 ( -1.131 0.928 -0.484) 1.541 1.609 ( -0.769 3.833 -0.452) 3.935 1.673 ( -0.750 5.293 -0.963) 5.432 1.753 ( -1.889 8.344 -0.970) 8.609 1.799 ( 1.001 5.541 -0.343) 5.641 1.818 ( -2.123 6.313 1.000) 6.735 1.879 ( 0.904 1.250 1.533) 2.174 1.929 ( -0.526 5.368 0.984) 5.483 1.939 ( -0.636 0.630 0.837) 1.225 2.061 ( -0.213 -0.466 2.512) 2.563 2.119 ( 4.621 -1.836 -3.902) 6.320 2.144 ( -3.139 -0.396 -1.450) 3.480 2.215 ( 3.201 3.255 -1.126) 4.702 2.316 ( -1.167 0.706 -0.222) 1.382 2.460 ( -1.022 -9.206 3.733) 9.987 2.516 ( 4.905 -2.575 -0.279) 5.547 2.604 ( 1.708 -8.752 -7.256) 11.496 2.686 ( -3.234 4.327 6.770) 8.661 2.840 ( 0.530 -3.542 4.201) 5.520 2.862 ( 1.734 -0.067 0.795) 1.909 3.000 ( -0.573 0.418 -4.360) 4.417 3.126 ( 1.571 -2.857 0.512) 3.300 3.225 ( 1.369 3.812 -0.823) 4.133 3.363 ( 2.237 6.837 1.403) 7.329 3.396 ( -0.545 4.425 -1.334) 4.654 3.513 ( -0.456 2.957 0.150) 2.996 3.623 ( 0.395 4.306 0.149) 4.327 3.682 ( -1.187 -3.271 -0.721) 3.554 3.981 ( -0.908 11.851 1.305) 11.957 4.200 ( -0.529 4.856 -0.640) 4.926 4.338 ( 2.856 6.094 -0.239) 6.734 4.637 ( -0.846 8.672 -0.675) 8.739 4.966 ( -0.551 -4.877 3.071) 5.790 5.096 ( 0.927 5.470 -2.657) 6.152 5.208 ( -1.964 -1.216 0.467) 2.356 5.285 ( -0.251 -3.981 2.571) 4.746 5.414 ( -1.848 7.417 -2.134) 7.936 5.516 ( 2.388 0.657 1.360) 2.826 5.765 ( 1.035 3.485 0.028) 3.636 5.825 ( 2.728 3.367 -2.608) 5.058 5.932 ( -0.077 3.298 -0.572) 3.348 6.094 ( -0.164 3.173 0.022) 3.177 6.234 ( -0.002 3.663 1.286) 3.882 6.321 ( -0.297 -0.743 -0.780) 1.118 6.370 ( 0.047 0.615 1.711) 1.819 6.457 ( 1.511 -0.674 0.763) 1.822 6.499 ( -1.219 -2.590 0.498) 2.906 6.591 ( 0.990 -0.744 -0.824) 1.487 6.608 ( -2.643 3.662 -0.604) 4.556 6.721 ( 0.397 4.382 -0.078) 4.401 6.743 ( -1.362 -2.082 -1.489) 2.900 6.799 ( 0.608 -7.921 -1.745) 8.134 6.900 ( -0.414 -1.179 -0.081) 1.253 6.955 ( 0.606 -2.765 0.832) 2.950 6.971 ( -0.341 0.495 0.119) 0.613 7.048 ( -0.686 0.325 1.260) 1.471 7.123 ( -0.164 2.063 -0.077) 2.071 7.165 ( 0.781 -0.465 0.287) 0.953 7.308 ( -2.634 1.882 0.197) 3.243 7.419 ( -0.766 -3.686 -0.706) 3.831 7.474 ( 2.937 3.571 0.827) 4.697 7.556 ( -2.264 0.685 -0.718) 2.472 7.646 ( -0.581 4.299 1.969) 4.764 7.700 ( -1.448 6.253 -1.970) 6.714 7.887 ( -0.563 1.186 2.122) 2.495 8.098 ( -1.247 1.547 0.802) 2.143 8.143 ( 3.166 2.020 -3.013) 4.815 8.177 ( 0.295 -4.012 -1.085) 4.167 8.300 ( 0.492 0.652 1.406) 1.626 8.343 ( -0.051 0.129 1.756) 1.761 8.384 ( 0.607 1.352 -0.032) 1.482 8.429 ( -1.075 -0.900 0.379) 1.452 8.480 ( 0.335 -0.906 -2.491) 2.671 8.533 ( 0.091 -0.325 0.225) 0.405 8.857 ( -0.090 -1.302 0.746) 1.503 8.879 ( -0.326 -1.672 -0.549) 1.789 9.221 ( -0.176 2.680 -0.167) 2.691 9.251 ( -0.468 1.909 0.351) 1.997 9.571 ( 0.513 -2.338 0.226) 2.405 9.601 ( 0.523 -3.094 -0.304) 3.153 9.917 ( 0.272 -1.400 -0.434) 1.491 9.958 ( -0.227 -1.601 0.409) 1.668 10.145 ( 0.262 3.517 0.121) 3.529 10.147 ( 0.246 4.084 0.041) 4.092======================= Grid point 93 (50/56) =======================q-point: (-0.40 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( 2.519 1.717 2.171) 3.742 1.142 ( 2.496 0.572 0.295) 2.577 1.268 ( 0.335 1.366 -2.362) 2.749 1.332 ( 1.203 1.402 -0.484) 1.910 1.452 ( 0.017 2.926 0.263) 2.938 1.531 ( 1.249 2.913 -1.103) 3.356 1.544 ( 0.501 0.375 0.057) 0.629 1.613 ( 0.838 3.817 -0.711) 3.972 1.670 ( 0.907 5.329 -0.610) 5.440 1.745 ( 1.285 8.681 -0.380) 8.783 1.793 ( -0.909 6.341 0.200) 6.409 1.827 ( 2.129 6.410 0.009) 6.754 1.889 ( -0.177 0.059 0.459) 0.496 1.925 ( 0.009 6.536 1.575) 6.724 1.930 ( -0.469 -0.851 1.532) 1.814 2.045 ( -2.701 1.788 2.695) 4.214 2.097 ( -0.169 -3.490 -2.642) 4.380 2.189 ( 2.195 -3.371 -2.755) 4.876 2.231 ( -0.574 9.519 -2.865) 9.957 2.336 ( 3.551 -2.470 -1.902) 4.725 2.421 ( -4.372 -8.880 5.900) 11.523 2.513 ( -4.157 -1.049 0.884) 4.377 2.593 ( -1.791 -8.694 -5.628) 10.510 2.697 ( 2.777 2.850 4.845) 6.270 2.871 ( 1.417 -0.060 3.316) 3.607 2.882 ( -0.003 -4.436 2.452) 5.068 2.956 ( -2.448 0.276 -5.155) 5.713 3.131 ( -1.195 -2.407 -0.013) 2.688 3.221 ( -2.049 5.080 -0.327) 5.488 3.372 ( -0.757 4.735 0.977) 4.893 3.388 ( -0.751 6.030 -1.028) 6.163 3.510 ( 0.277 1.930 0.247) 1.965 3.621 ( -0.451 4.196 0.239) 4.227 3.686 ( 1.536 -2.504 -0.911) 3.075 3.980 ( 0.609 12.039 1.382) 12.134 4.204 ( 1.100 4.673 -0.875) 4.879 4.340 ( -3.005 5.703 -0.369) 6.457 4.632 ( 0.690 8.754 -0.365) 8.789 4.968 ( 0.321 -6.702 2.806) 7.272 5.085 ( -1.491 7.210 -1.358) 7.487 5.206 ( 2.615 -1.686 -0.032) 3.111 5.311 ( 1.533 -4.095 2.406) 4.991 5.369 ( -2.787 6.907 -0.749) 7.486 5.542 ( -0.071 2.875 -0.054) 2.876 5.753 ( -2.019 3.353 0.153) 3.917 5.855 ( 0.889 3.351 -4.171) 5.424 5.926 ( -0.836 2.606 0.252) 2.749 6.095 ( 0.280 3.337 -0.036) 3.349 6.254 ( 1.971 3.235 2.164) 4.363 6.303 ( -1.233 0.790 -3.304) 3.614 6.369 ( -0.614 -1.549 2.209) 2.767 6.474 ( -0.110 -0.312 -0.110) 0.348 6.478 ( -0.877 -1.954 2.928) 3.628 6.575 ( -0.384 2.039 -0.327) 2.100 6.621 ( 2.550 1.585 -0.970) 3.155 6.707 ( -1.219 1.448 -0.212) 1.905 6.741 ( 0.289 0.268 -0.855) 0.941 6.802 ( 0.080 -9.383 -1.771) 9.549 6.905 ( 1.101 -1.217 -0.192) 1.652 6.964 ( 0.771 2.601 0.093) 2.715 6.981 ( -0.064 -4.822 -0.735) 4.878 7.038 ( 0.159 1.197 2.377) 2.666 7.120 ( -0.604 1.454 -0.341) 1.611 7.171 ( -0.124 1.943 0.313) 1.972 7.303 ( 2.288 0.433 0.487) 2.379 7.414 ( 0.274 -4.686 -0.572) 4.729 7.499 ( -2.298 4.233 -0.459) 4.839 7.538 ( 1.585 1.363 0.316) 2.114 7.647 ( 1.280 2.666 2.406) 3.812 7.691 ( 0.815 7.573 -1.855) 7.839 7.911 ( 2.167 1.330 0.967) 2.720 8.072 ( -1.365 1.480 0.790) 2.163 8.152 ( -2.099 -2.312 -2.005) 3.711 8.178 ( 0.327 0.457 -1.379) 1.489 8.297 ( -0.958 0.675 1.449) 1.864 8.350 ( 0.776 -0.159 1.204) 1.441 8.396 ( -1.288 0.734 1.819) 2.346 8.414 ( 0.904 -0.217 -1.619) 1.867 8.480 ( 0.118 -0.728 -1.816) 1.960 8.537 ( 0.279 -0.490 -0.088) 0.570 8.857 ( -0.087 -0.924 0.775) 1.209 8.877 ( 0.217 -2.159 -0.438) 2.214 9.220 ( 0.214 2.815 -0.135) 2.827 9.252 ( 0.501 1.808 0.264) 1.895 9.571 ( -0.531 -2.367 0.216) 2.436 9.601 ( -0.484 -3.067 -0.298) 3.120 9.915 ( -0.319 -1.398 -0.350) 1.476 9.959 ( 0.164 -1.570 0.390) 1.626 10.145 ( -0.240 3.542 0.102) 3.552 10.148 ( -0.249 4.031 0.035) 4.039======================= Grid point 94 (51/56) =======================q-point: (-0.20 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.181 ( 4.805 -1.313 0.526) 5.009 1.204 ( 3.638 0.627 0.243) 3.699 1.273 ( 0.137 1.255 -0.110) 1.267 1.358 ( 1.308 2.375 -1.204) 2.967 1.455 ( 0.423 3.265 -0.062) 3.293 1.540 ( -0.055 -1.102 -0.075) 1.106 1.576 ( 1.627 5.985 -0.569) 6.228 1.645 ( 2.981 3.069 -0.848) 4.361 1.692 ( 0.993 3.769 -0.506) 3.931 1.781 ( 0.827 5.578 -0.005) 5.639 1.795 ( 2.743 3.910 0.273) 4.784 1.864 ( 0.515 3.448 0.498) 3.521 1.892 ( 1.355 1.666 0.542) 2.215 1.923 ( -0.478 -0.317 0.489) 0.754 1.929 ( 0.149 6.276 0.685) 6.315 1.998 ( -1.846 0.648 0.244) 1.972 2.104 ( 0.272 -1.925 -1.988) 2.780 2.161 ( -2.915 -0.361 0.297) 2.952 2.243 ( -0.036 2.796 -2.461) 3.725 2.330 ( -4.237 -1.504 5.126) 6.818 2.401 ( 2.123 -0.755 -1.661) 2.799 2.450 ( -1.298 -5.441 0.399) 5.608 2.543 ( -2.034 -8.560 -4.586) 9.921 2.741 ( 0.430 2.993 6.243) 6.937 2.853 ( -2.689 -3.276 2.951) 5.164 2.890 ( 0.625 4.022 -3.635) 5.457 2.937 ( 1.026 -1.545 -2.592) 3.187 3.073 ( -5.284 -1.492 1.513) 5.695 3.175 ( -1.778 6.477 0.307) 6.723 3.354 ( -1.993 4.324 -1.550) 5.007 3.370 ( 0.034 5.752 0.109) 5.753 3.514 ( -0.046 -0.079 0.792) 0.797 3.621 ( 0.230 5.304 1.051) 5.412 3.714 ( 1.311 -1.722 -1.064) 2.412 4.002 ( 1.345 12.026 1.223) 12.162 4.229 ( 1.277 4.855 -1.257) 5.175 4.265 ( -3.488 5.910 -0.245) 6.867 4.651 ( 1.020 9.371 -0.192) 9.428 4.979 ( 0.174 -7.975 3.294) 8.630 5.072 ( 0.358 8.088 -1.661) 8.264 5.238 ( -1.372 2.919 1.771) 3.679 5.336 ( 1.707 3.135 3.517) 5.011 5.352 ( 1.912 -5.122 -1.663) 5.715 5.514 ( -2.337 2.371 -1.770) 3.771 5.703 ( -2.896 2.307 0.487) 3.735 5.830 ( -2.883 2.363 -5.258) 6.445 5.932 ( 1.913 4.806 0.344) 5.184 6.095 ( -0.470 5.048 0.088) 5.070 6.273 ( -0.912 2.181 -3.604) 4.310 6.300 ( 1.680 -0.577 1.604) 2.394 6.359 ( -0.623 -3.006 3.609) 4.738 6.462 ( -0.935 1.185 0.770) 1.694 6.471 ( -0.041 0.665 0.215) 0.700 6.589 ( 1.580 -0.645 -0.979) 1.968 6.645 ( -1.840 2.535 -1.592) 3.513 6.710 ( 1.936 2.766 2.892) 4.445 6.757 ( 2.391 -6.197 -0.493) 6.661 6.810 ( 1.907 -7.168 -1.640) 7.597 6.933 ( 0.042 -0.577 0.692) 0.902 6.951 ( -0.420 2.603 0.446) 2.674 6.976 ( -0.037 -2.426 -2.041) 3.171 7.061 ( 0.050 -1.351 0.281) 1.381 7.093 ( -1.091 -0.947 0.172) 1.454 7.173 ( -0.030 0.267 0.818) 0.861 7.355 ( 2.235 3.016 0.408) 3.776 7.414 ( -0.928 0.917 0.328) 1.345 7.468 ( 0.366 1.848 -0.957) 2.113 7.560 ( 0.914 4.637 1.512) 4.962 7.678 ( 0.386 0.534 -0.607) 0.896 7.749 ( 6.490 5.642 0.468) 8.612 7.946 ( 0.775 -0.711 -0.217) 1.073 8.046 ( -1.924 4.033 -0.565) 4.505 8.096 ( -3.258 -2.461 1.642) 4.401 8.165 ( -1.160 -0.239 -2.925) 3.156 8.292 ( 0.246 2.083 2.155) 3.007 8.348 ( -1.150 -1.653 3.370) 3.925 8.381 ( 0.055 0.881 -2.725) 2.864 8.431 ( 0.606 -0.484 -1.245) 1.466 8.481 ( 0.341 0.200 -0.530) 0.661 8.539 ( -0.131 -0.431 -0.452) 0.638 8.857 ( 0.077 -1.352 1.055) 1.717 8.883 ( 0.461 -2.078 -0.690) 2.238 9.228 ( 0.552 2.963 -0.266) 3.025 9.266 ( 0.784 1.322 0.503) 1.617 9.556 ( -0.917 -2.124 0.193) 2.321 9.585 ( -0.975 -3.030 -0.255) 3.193 9.908 ( -0.326 -1.103 -0.504) 1.256 9.963 ( 0.189 -2.083 0.562) 2.166 10.139 ( -0.428 3.610 0.000) 3.636 10.141 ( -0.403 4.245 0.119) 4.266======================= Grid point 95 (52/56) =======================q-point: ( 0.00 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( 0.035 -2.429 0.473) 2.475 1.171 ( 0.350 -3.440 0.171) 3.462 1.362 ( 0.184 2.985 1.144) 3.202 1.395 ( -0.306 -0.164 -1.641) 1.677 1.493 ( -0.189 0.703 0.423) 0.842 1.510 ( -0.010 -1.193 0.139) 1.201 1.704 ( 0.739 1.990 -0.490) 2.179 1.716 ( -0.057 -0.078 -0.372) 0.384 1.755 ( 0.071 5.282 1.378) 5.460 1.834 ( -0.689 0.050 0.219) 0.724 1.859 ( 1.300 1.921 -0.114) 2.322 1.890 ( 1.349 -1.290 1.140) 2.187 1.919 ( -1.353 2.314 -0.324) 2.700 1.932 ( 0.295 -0.695 -0.284) 0.807 1.973 ( -2.202 -0.584 -0.349) 2.305 2.008 ( 0.276 -2.685 -1.949) 3.330 2.041 ( 0.099 2.855 0.991) 3.024 2.093 ( 1.293 -3.235 -1.558) 3.816 2.165 ( -0.559 0.863 1.558) 1.866 2.264 ( -1.187 -8.120 1.660) 8.372 2.402 ( 0.246 2.095 -2.287) 3.111 2.452 ( 1.516 -2.423 -5.789) 6.456 2.528 ( -0.931 11.166 0.032) 11.205 2.726 ( -1.587 -7.716 2.643) 8.309 2.838 ( 0.749 3.596 5.630) 6.723 2.903 ( 0.308 -2.643 0.791) 2.776 2.964 ( 1.466 0.577 -2.230) 2.731 2.976 ( -1.202 -0.111 -1.545) 1.961 3.330 ( 0.112 7.232 0.208) 7.236 3.376 ( -0.346 2.152 -0.153) 2.185 3.437 ( -0.103 0.535 0.711) 0.895 3.474 ( 0.585 -2.663 -0.389) 2.754 3.700 ( -0.159 2.313 0.617) 2.400 3.722 ( -0.032 -0.098 -0.927) 0.933 4.195 ( -0.524 6.775 -0.115) 6.796 4.274 ( -0.354 -1.055 -0.829) 1.388 4.451 ( 1.228 13.697 1.255) 13.809 4.744 ( 0.992 -15.133 2.534) 15.375 4.911 ( -0.120 14.424 -0.057) 14.424 5.174 ( 0.065 -10.436 1.561) 10.552 5.220 ( -0.694 4.633 -2.112) 5.139 5.271 ( -1.535 -0.650 -0.811) 1.854 5.430 ( 1.146 2.475 0.893) 2.870 5.473 ( -0.336 -1.686 -2.264) 2.843 5.783 ( -0.282 8.587 0.113) 8.592 5.914 ( -0.132 3.494 -1.237) 3.708 6.040 ( 0.917 -1.304 1.985) 2.546 6.085 ( -0.517 4.026 -2.494) 4.764 6.246 ( 0.094 -4.368 3.092) 5.352 6.276 ( 0.186 -0.306 0.184) 0.403 6.343 ( -0.273 1.252 -1.499) 1.972 6.434 ( -3.353 -7.583 0.378) 8.300 6.475 ( 1.837 -1.392 -0.087) 2.306 6.485 ( 1.394 -5.067 -1.167) 5.383 6.629 ( 0.021 4.758 1.425) 4.966 6.692 ( 0.297 -0.580 0.023) 0.652 6.790 ( 0.645 2.734 -0.165) 2.814 6.846 ( 1.334 -2.133 3.010) 3.923 6.921 ( -1.751 1.327 0.617) 2.283 6.963 ( 0.160 -0.621 -3.251) 3.314 7.011 ( 0.088 2.413 0.264) 2.429 7.018 ( -0.435 -0.270 -0.087) 0.519 7.054 ( 2.031 -2.330 -1.120) 3.287 7.077 ( -1.825 -3.747 -0.742) 4.234 7.447 ( 0.313 2.940 1.265) 3.216 7.486 ( 0.200 -0.438 0.485) 0.683 7.512 ( -0.498 5.335 -0.461) 5.378 7.604 ( -0.682 -3.358 -1.001) 3.570 7.744 ( -0.296 7.627 0.807) 7.675 7.872 ( -0.875 -4.386 1.085) 4.602 7.954 ( 5.596 1.817 1.591) 6.095 7.981 ( -3.160 -1.338 0.180) 3.437 8.085 ( -0.138 2.149 -1.852) 2.841 8.130 ( -0.616 -2.260 -2.328) 3.303 8.326 ( -0.528 0.842 2.537) 2.725 8.334 ( -0.058 0.213 2.606) 2.615 8.400 ( 0.008 1.294 -2.147) 2.507 8.418 ( 0.488 -0.583 -1.945) 2.088 8.510 ( -0.002 0.956 0.118) 0.964 8.525 ( -0.136 -0.579 -0.068) 0.598 8.836 ( 0.029 -0.454 0.235) 0.512 8.849 ( 0.189 -1.638 -0.283) 1.673 9.283 ( -0.043 1.665 -0.053) 1.666 9.294 ( -0.029 0.464 0.146) 0.487 9.524 ( 0.006 -0.366 0.050) 0.370 9.532 ( -0.010 -1.254 -0.059) 1.256 9.896 ( 0.059 0.335 -0.204) 0.396 9.920 ( -0.018 -1.989 0.291) 2.010 10.189 ( -0.008 1.595 0.018) 1.595 10.192 ( -0.014 1.313 0.098) 1.317======================= Grid point 96 (53/56) =======================q-point: ( 0.20 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( -1.254 -1.035 0.230) 1.642 1.161 ( -1.554 -2.069 -0.380) 2.616 1.346 ( -1.578 1.150 1.314) 2.354 1.359 ( -2.616 0.221 -1.399) 2.975 1.488 ( -0.430 1.018 0.430) 1.186 1.510 ( 0.009 -1.427 0.223) 1.445 1.669 ( -3.492 2.679 -0.903) 4.494 1.693 ( -1.991 -0.078 0.395) 2.032 1.754 ( -0.542 4.309 0.488) 4.370 1.828 ( -0.356 -1.240 0.725) 1.480 1.890 ( 1.095 5.016 -3.412) 6.164 1.899 ( -0.064 2.398 0.930) 2.573 1.928 ( -0.730 -0.398 0.568) 1.007 1.944 ( 2.952 -0.847 1.661) 3.492 1.973 ( 3.370 -0.274 -1.262) 3.609 2.010 ( 0.351 -2.263 -1.284) 2.625 2.056 ( 1.031 3.655 0.410) 3.820 2.110 ( 0.292 -3.296 -2.107) 3.923 2.196 ( 2.503 -0.549 3.642) 4.453 2.265 ( 0.750 -7.850 2.984) 8.432 2.399 ( -0.096 3.029 -3.789) 4.852 2.468 ( 0.799 -3.981 -7.381) 8.425 2.508 ( 0.127 10.083 1.572) 10.205 2.695 ( -1.587 -7.740 4.294) 8.992 2.835 ( -2.316 3.284 5.147) 6.530 2.884 ( -1.760 -0.721 0.250) 1.918 2.984 ( 2.036 0.566 -3.608) 4.181 3.016 ( 3.274 -2.433 -0.225) 4.085 3.315 ( -0.925 6.023 -0.158) 6.096 3.394 ( 0.929 -0.159 0.518) 1.076 3.443 ( 1.138 2.086 0.143) 2.380 3.494 ( 1.612 -2.083 -0.095) 2.635 3.688 ( -1.132 2.287 0.348) 2.576 3.710 ( -1.145 0.050 -0.967) 1.500 4.182 ( -0.894 6.841 0.799) 6.945 4.261 ( -0.902 -0.987 -0.086) 1.340 4.485 ( 2.184 13.277 -0.949) 13.489 4.761 ( 0.500 -14.069 0.451) 14.085 4.896 ( -1.338 14.214 0.168) 14.278 5.156 ( -1.980 -10.282 1.015) 10.520 5.199 ( -0.827 3.284 -0.614) 3.442 5.242 ( -1.477 -0.526 0.996) 1.857 5.469 ( 3.004 1.858 0.539) 3.573 5.498 ( 2.546 -0.262 -1.531) 2.982 5.809 ( 2.736 7.927 0.956) 8.440 5.914 ( 0.581 4.125 -1.331) 4.373 6.060 ( -0.797 3.367 -1.714) 3.861 6.065 ( 0.249 -1.193 0.493) 1.315 6.242 ( -0.996 -3.587 2.986) 4.772 6.280 ( 0.163 -1.323 -0.304) 1.367 6.338 ( 0.024 0.119 -1.108) 1.114 6.385 ( -1.627 -5.540 1.174) 5.892 6.494 ( 0.924 0.207 -0.280) 0.988 6.547 ( 3.875 -6.497 -1.758) 7.766 6.632 ( 0.294 4.516 0.802) 4.596 6.688 ( -0.370 -1.172 -0.190) 1.243 6.792 ( -0.348 4.092 -0.577) 4.147 6.852 ( -1.644 0.559 3.325) 3.751 6.883 ( -1.165 0.089 -2.535) 2.791 6.926 ( -2.871 -0.946 -1.131) 3.227 7.013 ( 0.020 0.277 0.109) 0.299 7.043 ( 2.166 1.875 -0.241) 2.875 7.068 ( 1.278 -4.298 1.354) 4.684 7.097 ( 2.184 -2.163 -1.686) 3.506 7.409 ( -4.464 2.131 0.457) 4.968 7.446 ( -4.394 -1.240 -0.273) 4.574 7.515 ( 0.879 4.525 0.444) 4.631 7.585 ( -0.971 -2.363 0.532) 2.610 7.741 ( -0.139 6.842 1.422) 6.990 7.856 ( -0.622 -3.280 1.822) 3.804 7.909 ( -3.225 5.296 -2.363) 6.636 8.036 ( 2.150 -5.749 -0.363) 6.149 8.117 ( 3.144 1.965 -0.808) 3.794 8.140 ( 1.759 -0.171 -0.798) 1.939 8.317 ( -0.715 0.992 2.060) 2.395 8.336 ( -0.377 -0.785 2.495) 2.642 8.395 ( -0.104 1.579 -1.917) 2.486 8.424 ( 0.205 -1.055 -1.541) 1.879 8.500 ( -0.673 1.284 -0.105) 1.454 8.522 ( -0.201 -0.843 0.068) 0.869 8.837 ( 0.031 -0.252 0.176) 0.309 8.851 ( -0.000 -1.584 -0.281) 1.608 9.274 ( -0.690 1.618 -0.059) 1.760 9.286 ( -0.710 0.409 0.098) 0.825 9.533 ( 0.798 -0.295 0.046) 0.852 9.543 ( 0.969 -1.315 -0.047) 1.634 9.899 ( 0.241 0.241 -0.203) 0.397 9.921 ( 0.049 -1.878 0.278) 1.899 10.192 ( 0.301 1.573 0.016) 1.601 10.195 ( 0.297 1.288 0.085) 1.324======================= Grid point 97 (54/56) =======================q-point: ( 0.40 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( -1.446 -0.114 -0.618) 1.576 1.126 ( -1.178 -0.382 -0.208) 1.256 1.316 ( -1.231 1.419 0.121) 1.883 1.333 ( -0.229 -0.129 0.340) 0.430 1.483 ( -0.111 1.081 0.306) 1.129 1.510 ( 0.011 -1.853 0.128) 1.857 1.610 ( -2.203 3.485 -0.766) 4.193 1.667 ( -0.637 -1.092 1.697) 2.116 1.736 ( -1.122 4.088 -0.901) 4.334 1.815 ( -0.838 -2.347 0.689) 2.585 1.893 ( 0.805 4.535 -1.369) 4.805 1.911 ( -0.118 3.292 -0.534) 3.337 1.925 ( 0.278 2.426 -0.252) 2.455 1.992 ( 2.318 2.585 0.607) 3.524 2.007 ( 0.207 -0.659 -1.481) 1.635 2.053 ( 1.642 1.161 -1.660) 2.608 2.075 ( 2.623 0.514 -0.145) 2.676 2.100 ( -1.387 -1.872 -0.270) 2.345 2.213 ( -0.507 -1.778 4.316) 4.695 2.277 ( -0.802 -8.048 4.707) 9.358 2.391 ( 0.101 3.876 -5.393) 6.642 2.467 ( 0.833 -4.741 -8.565) 9.825 2.558 ( 3.788 6.564 2.197) 7.890 2.709 ( 2.365 -6.668 5.560) 8.998 2.778 ( -3.803 3.043 3.814) 6.186 2.845 ( -2.758 -2.935 1.384) 4.259 3.008 ( 0.621 1.600 -2.984) 3.443 3.060 ( 1.552 -3.313 -1.172) 3.842 3.312 ( 0.542 4.688 -0.274) 4.727 3.392 ( -0.535 -2.797 -0.243) 2.859 3.475 ( 1.357 3.320 0.604) 3.637 3.517 ( 0.240 -1.197 1.299) 1.783 3.672 ( -0.148 1.607 -0.780) 1.793 3.684 ( -1.117 0.700 -1.261) 1.825 4.168 ( -0.634 6.977 1.020) 7.080 4.245 ( -0.636 -0.726 0.020) 0.965 4.521 ( 1.574 11.578 -1.284) 11.755 4.763 ( -0.255 -12.600 -0.490) 12.612 4.871 ( -1.134 13.861 -0.119) 13.908 5.128 ( -0.814 -10.884 1.028) 10.963 5.193 ( 0.264 2.972 -0.046) 2.985 5.220 ( -1.039 0.183 0.934) 1.409 5.515 ( 1.041 3.220 -0.622) 3.441 5.546 ( 2.388 0.423 1.857) 3.055 5.859 ( 1.680 7.031 1.955) 7.489 5.937 ( 1.950 3.856 -2.978) 5.248 6.017 ( -2.194 4.338 -1.856) 5.203 6.078 ( 0.085 -3.322 0.327) 3.340 6.228 ( -0.796 -3.579 4.221) 5.590 6.282 ( 0.209 -3.307 -0.490) 3.349 6.339 ( 0.239 0.639 -1.743) 1.872 6.375 ( 0.169 -4.456 1.226) 4.625 6.507 ( 0.405 2.729 -0.915) 2.907 6.596 ( 1.686 -6.309 -2.173) 6.882 6.636 ( -0.270 3.274 0.158) 3.289 6.687 ( -0.378 -2.350 -0.774) 2.503 6.761 ( -2.062 6.052 0.413) 6.407 6.837 ( 0.096 3.833 0.473) 3.863 6.867 ( -1.201 -3.401 -0.106) 3.608 6.893 ( 0.266 -1.558 -1.265) 2.024 7.011 ( -0.119 2.596 -0.384) 2.627 7.074 ( 0.324 -0.890 3.134) 3.274 7.107 ( 2.680 -0.969 -1.032) 3.031 7.141 ( 2.983 -1.494 0.266) 3.347 7.313 ( -4.820 0.412 -0.622) 4.878 7.350 ( -4.745 -3.095 -1.623) 5.893 7.538 ( 1.351 2.955 1.029) 3.408 7.572 ( -0.709 -0.285 0.943) 1.214 7.745 ( 0.085 6.190 2.018) 6.511 7.851 ( -0.329 -2.707 1.146) 2.958 7.880 ( 0.175 7.844 -1.088) 7.921 8.040 ( -0.804 -6.946 -3.073) 7.638 8.160 ( 1.337 1.981 0.408) 2.424 8.179 ( 1.944 0.618 -0.270) 2.058 8.305 ( -0.652 0.129 0.960) 1.167 8.323 ( -1.167 -1.663 1.039) 2.282 8.400 ( 0.871 1.131 -0.310) 1.461 8.421 ( -0.254 -0.736 -0.300) 0.834 8.493 ( -0.054 1.543 -0.564) 1.644 8.520 ( -0.016 -1.045 0.029) 1.046 8.838 ( 0.070 -0.346 0.230) 0.422 8.847 ( -0.315 -1.244 -0.150) 1.292 9.264 ( -0.286 1.486 -0.151) 1.521 9.275 ( -0.329 0.392 -0.006) 0.511 9.545 ( 0.432 -0.222 0.052) 0.488 9.558 ( 0.506 -1.390 -0.046) 1.480 9.902 ( 0.113 0.123 -0.119) 0.205 9.922 ( 0.015 -1.721 0.249) 1.739 10.197 ( 0.193 1.530 0.005) 1.542 10.200 ( 0.189 1.249 0.052) 1.264======================= Grid point 98 (55/56) =======================q-point: (-0.40 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.106 ( 0.679 0.206 0.253) 0.753 1.129 ( 1.240 -1.671 -0.630) 2.174 1.313 ( 0.654 2.463 0.431) 2.584 1.341 ( 1.208 -0.411 -0.217) 1.295 1.484 ( 0.225 0.963 0.207) 1.011 1.511 ( 0.012 -1.867 0.099) 1.869 1.602 ( 1.591 3.875 -0.281) 4.199 1.677 ( 1.144 -2.740 1.462) 3.309 1.724 ( 0.202 5.413 -0.596) 5.449 1.812 ( 0.525 -2.192 0.854) 2.410 1.896 ( -0.806 4.023 -1.550) 4.386 1.914 ( 0.928 2.290 -0.882) 2.624 1.919 ( -0.971 2.828 0.093) 2.992 2.006 ( 0.004 -1.283 -1.861) 2.260 2.007 ( -1.684 4.409 -0.295) 4.729 2.042 ( -1.583 1.742 -0.499) 2.406 2.064 ( -1.210 2.302 1.250) 2.886 2.109 ( 0.143 -2.837 -1.317) 3.131 2.245 ( 2.285 -5.146 2.852) 6.311 2.249 ( -1.940 -6.992 5.960) 9.390 2.391 ( 0.801 4.032 -5.753) 7.070 2.460 ( -0.566 -4.481 -7.350) 8.627 2.582 ( -2.237 8.415 0.289) 8.712 2.746 ( 0.866 0.564 5.862) 5.952 2.777 ( 0.919 -6.994 -0.570) 7.077 2.806 ( 0.732 -3.052 5.843) 6.633 2.997 ( -1.108 3.397 -2.692) 4.473 3.068 ( -0.672 -3.626 -1.459) 3.966 3.317 ( -0.064 4.708 -0.656) 4.754 3.394 ( 0.861 -2.353 -0.378) 2.534 3.471 ( -1.770 2.658 0.813) 3.295 3.503 ( -1.703 -0.982 2.050) 2.841 3.675 ( 0.701 1.842 -0.760) 2.112 3.690 ( 1.584 0.470 -1.623) 2.316 4.170 ( 0.757 7.050 0.953) 7.154 4.247 ( 0.938 -0.727 -0.119) 1.193 4.514 ( -2.479 11.062 -0.838) 11.367 4.750 ( -1.142 -12.640 0.303) 12.695 4.869 ( 1.071 14.051 0.027) 14.092 5.134 ( 1.074 -11.818 0.681) 11.886 5.201 ( 0.523 3.553 -0.515) 3.628 5.227 ( 2.047 0.919 0.472) 2.293 5.500 ( -2.452 5.167 0.410) 5.734 5.565 ( -1.025 -1.224 0.693) 1.740 5.859 ( -1.939 7.418 1.834) 7.883 5.944 ( -0.725 2.444 -4.088) 4.818 6.002 ( 0.557 4.293 0.415) 4.348 6.086 ( 1.032 -3.289 -0.735) 3.525 6.226 ( -0.276 -3.657 4.457) 5.772 6.283 ( -0.141 -3.458 -0.613) 3.515 6.342 ( 0.501 2.133 -2.016) 2.978 6.391 ( 1.372 -4.749 0.272) 4.950 6.500 ( -1.083 3.005 -0.301) 3.208 6.602 ( -1.500 -7.447 -2.779) 8.089 6.619 ( -0.919 2.912 1.046) 3.228 6.667 ( -0.627 -2.311 0.541) 2.455 6.753 ( 0.760 6.287 0.899) 6.397 6.822 ( -1.509 1.487 0.956) 2.324 6.883 ( 2.557 -0.707 -0.744) 2.756 6.905 ( 0.976 -2.318 -1.739) 3.058 7.014 ( 0.492 3.086 -0.702) 3.203 7.064 ( -1.562 -0.620 2.886) 3.340 7.123 ( -1.960 0.484 -1.056) 2.279 7.161 ( -1.503 -2.583 -0.824) 3.100 7.297 ( 4.024 0.482 0.377) 4.070 7.337 ( 4.176 -3.183 -0.856) 5.320 7.551 ( -0.839 2.206 0.214) 2.370 7.573 ( 1.341 0.339 0.900) 1.650 7.747 ( -0.113 6.896 2.134) 7.220 7.844 ( -0.514 2.921 -0.122) 2.969 7.894 ( 0.981 0.896 0.111) 1.333 8.013 ( -1.357 -6.039 -1.913) 6.478 8.167 ( -0.796 2.357 -0.144) 2.492 8.192 ( -0.529 0.171 -1.062) 1.199 8.302 ( 0.190 0.095 1.060) 1.081 8.317 ( 0.631 -1.766 1.434) 2.361 8.412 ( -0.338 0.459 -0.881) 1.050 8.416 ( 0.365 0.089 -0.060) 0.381 8.494 ( 0.232 1.474 -0.585) 1.603 8.521 ( 0.155 -1.143 -0.053) 1.155 8.838 ( -0.240 -0.558 0.324) 0.688 8.843 ( 0.058 -1.092 0.005) 1.094 9.265 ( 0.374 1.484 -0.184) 1.542 9.275 ( 0.371 0.386 -0.032) 0.536 9.545 ( -0.444 -0.216 0.052) 0.497 9.558 ( -0.483 -1.391 -0.054) 1.473 9.902 ( -0.168 0.159 -0.070) 0.242 9.922 ( -0.061 -1.750 0.245) 1.768 10.197 ( -0.184 1.528 -0.001) 1.539 10.201 ( -0.186 1.248 0.046) 1.262======================= Grid point 99 (56/56) =======================q-point: (-0.20 0.46 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 1.841 -1.439 0.638) 2.422 1.155 ( 1.299 -3.097 -0.050) 3.359 1.337 ( 1.768 3.168 0.677) 3.690 1.374 ( 2.176 -0.597 -1.119) 2.518 1.491 ( 0.373 0.867 0.236) 0.973 1.510 ( -0.094 -1.384 0.229) 1.406 1.656 ( 3.670 2.615 0.016) 4.506 1.700 ( 1.220 -1.549 -0.246) 1.987 1.742 ( 1.252 5.636 1.223) 5.902 1.830 ( 0.998 -1.814 0.867) 2.245 1.869 ( -1.684 4.373 -1.302) 4.863 1.894 ( -1.369 0.887 0.758) 1.798 1.928 ( 0.478 0.572 -0.630) 0.976 1.955 ( -2.755 2.062 0.184) 3.446 2.005 ( 0.271 -1.616 -2.502) 2.991 2.013 ( -1.654 -0.432 -1.334) 2.168 2.049 ( -0.977 2.162 1.705) 2.921 2.094 ( -0.949 -3.025 -1.270) 3.415 2.201 ( -3.245 -1.263 4.449) 5.650 2.283 ( -0.099 -7.540 1.251) 7.644 2.399 ( 0.586 1.850 -3.088) 3.647 2.440 ( 0.318 -2.640 -6.460) 6.986 2.539 ( -1.135 11.341 -0.684) 11.418 2.741 ( -0.847 -7.891 0.835) 7.980 2.804 ( 1.816 2.710 6.015) 6.843 2.866 ( 2.891 -3.884 3.206) 5.807 2.970 ( -1.073 3.362 -3.287) 4.823 3.027 ( -3.253 -2.556 -0.874) 4.228 3.318 ( 0.492 6.850 -0.349) 6.877 3.400 ( -1.005 -0.449 0.134) 1.109 3.441 ( -0.774 1.999 0.307) 2.166 3.477 ( -1.043 -2.293 0.869) 2.664 3.692 ( 0.875 2.296 0.153) 2.462 3.714 ( 1.091 -0.012 -1.194) 1.618 4.191 ( 1.057 6.979 0.317) 7.065 4.269 ( 1.092 -0.889 -0.637) 1.545 4.457 ( -2.419 12.724 0.592) 12.966 4.733 ( -0.490 -14.559 2.090) 14.716 4.897 ( 1.515 14.196 0.067) 14.277 5.158 ( 1.225 -10.561 1.038) 10.682 5.216 ( 1.105 4.330 -1.897) 4.855 5.272 ( 1.991 -0.908 -0.596) 2.268 5.444 ( -2.953 5.211 0.963) 6.067 5.517 ( -3.344 -2.109 -1.376) 4.186 5.814 ( -2.687 8.011 0.963) 8.505 5.923 ( -0.645 2.617 -2.699) 3.814 6.020 ( 1.050 2.822 1.547) 3.385 6.096 ( -0.082 -0.926 -1.831) 2.053 6.233 ( 0.467 -4.397 3.814) 5.839 6.277 ( -0.290 -1.198 -0.321) 1.273 6.347 ( 0.199 2.632 -2.067) 3.353 6.423 ( 2.110 -5.951 -0.701) 6.353 6.478 ( -0.993 0.383 1.098) 1.530 6.533 ( -4.645 -7.089 -1.092) 8.545 6.621 ( 0.498 3.348 1.215) 3.597 6.678 ( 1.128 -2.006 0.458) 2.346 6.774 ( 0.904 3.875 0.610) 4.025 6.813 ( 0.978 0.886 2.376) 2.718 6.924 ( 1.387 -0.058 -2.057) 2.481 6.934 ( 2.692 -1.060 -1.415) 3.220 7.014 ( -0.517 2.949 0.076) 2.995 7.038 ( -1.178 -0.825 0.691) 1.596 7.066 ( -3.112 -0.642 0.200) 3.184 7.120 ( -2.279 -4.516 -2.439) 5.615 7.397 ( 4.909 2.509 1.171) 5.635 7.435 ( 5.011 -0.714 0.517) 5.088 7.530 ( -1.210 4.316 -0.382) 4.499 7.600 ( 1.200 -2.054 -0.418) 2.415 7.748 ( -0.162 6.794 1.249) 6.910 7.852 ( 1.878 0.681 1.701) 2.624 7.902 ( 0.218 0.305 -1.735) 1.775 7.998 ( -0.151 -5.616 1.322) 5.771 8.129 ( -3.018 2.895 -1.382) 4.404 8.163 ( -2.070 -0.591 -1.974) 2.921 8.319 ( 0.974 0.866 2.236) 2.588 8.331 ( 0.153 -0.418 2.576) 2.614 8.403 ( -0.148 1.004 -2.088) 2.321 8.418 ( -0.064 -0.614 -1.439) 1.566 8.501 ( 0.610 1.303 -0.138) 1.445 8.525 ( 0.197 -1.014 -0.108) 1.038 8.835 ( -0.033 -0.448 0.325) 0.554 8.846 ( 0.169 -1.472 -0.058) 1.482 9.275 ( 0.693 1.586 -0.131) 1.736 9.286 ( 0.674 0.431 0.070) 0.803 9.532 ( -0.812 -0.279 0.053) 0.860 9.543 ( -0.961 -1.325 -0.063) 1.638 9.898 ( -0.187 0.295 -0.124) 0.371 9.921 ( -0.094 -1.920 0.276) 1.942 10.192 ( -0.306 1.568 0.006) 1.597 10.195 ( -0.314 1.287 0.075) 1.327=================== 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 3/17550 10.0 17.344 41.367 18.790 0.000 1.199 0.000 3/17550 20.0 5.202 18.408 5.500 0.000 0.196 0.000 3/17550 30.0 3.018 11.961 3.066 0.000 0.060 0.000 3/17550 40.0 2.114 8.832 2.126 0.000 0.025 0.000 3/17550 50.0 1.612 6.944 1.622 0.000 0.013 0.000 3/17550 60.0 1.293 5.678 1.305 0.000 0.009 0.000 3/17550 70.0 1.075 4.779 1.088 0.000 0.008 0.000 3/17550 80.0 0.918 4.115 0.931 0.000 0.007 0.000 3/17550 90.0 0.800 3.609 0.814 0.000 0.007 0.000 3/17550 100.0 0.709 3.212 0.723 0.000 0.006 0.000 3/17550 110.0 0.637 2.894 0.650 0.000 0.006 0.000 3/17550 120.0 0.578 2.634 0.591 0.000 0.005 0.000 3/17550 130.0 0.530 2.417 0.542 0.000 0.005 0.000 3/17550 140.0 0.489 2.234 0.500 0.000 0.005 0.000 3/17550 150.0 0.454 2.077 0.465 0.000 0.005 0.000 3/17550 160.0 0.424 1.941 0.434 0.000 0.004 0.000 3/17550 170.0 0.398 1.822 0.407 0.000 0.004 0.000 3/17550 180.0 0.375 1.717 0.383 0.000 0.004 0.000 3/17550 190.0 0.354 1.623 0.362 0.000 0.004 0.000 3/17550 200.0 0.336 1.540 0.344 0.000 0.004 0.000 3/17550 210.0 0.320 1.465 0.327 0.000 0.003 0.000 3/17550 220.0 0.305 1.397 0.312 0.000 0.003 0.000 3/17550 230.0 0.291 1.335 0.298 0.000 0.003 0.000 3/17550 240.0 0.279 1.278 0.285 0.000 0.003 0.000 3/17550 250.0 0.267 1.226 0.273 0.000 0.003 0.000 3/17550 260.0 0.257 1.178 0.263 0.000 0.003 0.000 3/17550 270.0 0.247 1.134 0.253 0.000 0.003 0.000 3/17550 280.0 0.238 1.093 0.243 0.000 0.003 0.000 3/17550 290.0 0.230 1.055 0.235 0.000 0.003 0.000 3/17550 300.0 0.222 1.019 0.227 0.000 0.003 0.000 3/17550 310.0 0.215 0.986 0.220 0.000 0.002 0.000 3/17550 320.0 0.208 0.955 0.213 0.000 0.002 0.000 3/17550 330.0 0.202 0.926 0.206 0.000 0.002 0.000 3/17550 340.0 0.196 0.898 0.200 0.000 0.002 0.000 3/17550 350.0 0.190 0.873 0.194 0.000 0.002 0.000 3/17550 360.0 0.185 0.848 0.189 0.000 0.002 0.000 3/17550 370.0 0.180 0.825 0.184 0.000 0.002 0.000 3/17550 380.0 0.175 0.803 0.179 0.000 0.002 0.000 3/17550 390.0 0.170 0.783 0.174 0.000 0.002 0.000 3/17550 400.0 0.166 0.763 0.170 0.000 0.002 0.000 3/17550 410.0 0.162 0.744 0.166 0.000 0.002 0.000 3/17550 420.0 0.158 0.727 0.162 0.000 0.002 0.000 3/17550 430.0 0.154 0.710 0.158 0.000 0.002 0.000 3/17550 440.0 0.151 0.693 0.154 0.000 0.002 0.000 3/17550 450.0 0.148 0.678 0.151 0.000 0.002 0.000 3/17550 460.0 0.144 0.663 0.147 0.000 0.002 0.000 3/17550 470.0 0.141 0.649 0.144 0.000 0.002 0.000 3/17550 480.0 0.138 0.635 0.141 0.000 0.002 0.000 3/17550 490.0 0.136 0.622 0.138 0.000 0.002 0.000 3/17550 500.0 0.133 0.610 0.136 0.000 0.002 0.000 3/17550 510.0 0.130 0.598 0.133 0.000 0.002 0.000 3/17550 520.0 0.128 0.587 0.130 0.000 0.001 0.000 3/17550 530.0 0.125 0.575 0.128 0.000 0.001 0.000 3/17550 540.0 0.123 0.565 0.126 0.000 0.001 0.000 3/17550 550.0 0.121 0.554 0.123 0.000 0.001 0.000 3/17550 560.0 0.119 0.545 0.121 0.000 0.001 0.000 3/17550 570.0 0.116 0.535 0.119 0.000 0.001 0.000 3/17550 580.0 0.114 0.526 0.117 0.000 0.001 0.000 3/17550 590.0 0.112 0.517 0.115 0.000 0.001 0.000 3/17550 600.0 0.111 0.508 0.113 0.000 0.001 0.000 3/17550 610.0 0.109 0.500 0.111 0.000 0.001 0.000 3/17550 620.0 0.107 0.492 0.109 0.000 0.001 0.000 3/17550 630.0 0.105 0.484 0.108 0.000 0.001 0.000 3/17550 640.0 0.104 0.476 0.106 0.000 0.001 0.000 3/17550 650.0 0.102 0.469 0.104 0.000 0.001 0.000 3/17550 660.0 0.101 0.462 0.103 0.000 0.001 0.000 3/17550 670.0 0.099 0.455 0.101 0.000 0.001 0.000 3/17550 680.0 0.098 0.448 0.100 0.000 0.001 0.000 3/17550 690.0 0.096 0.442 0.098 0.000 0.001 0.000 3/17550 700.0 0.095 0.436 0.097 0.000 0.001 0.000 3/17550 710.0 0.093 0.429 0.095 0.000 0.001 0.000 3/17550 720.0 0.092 0.423 0.094 0.000 0.001 0.000 3/17550 730.0 0.091 0.418 0.093 0.000 0.001 0.000 3/17550 740.0 0.090 0.412 0.092 0.000 0.001 0.000 3/17550 750.0 0.088 0.407 0.090 0.000 0.001 0.000 3/17550 760.0 0.087 0.401 0.089 0.000 0.001 0.000 3/17550 770.0 0.086 0.396 0.088 0.000 0.001 0.000 3/17550 780.0 0.085 0.391 0.087 0.000 0.001 0.000 3/17550 790.0 0.084 0.386 0.086 0.000 0.001 0.000 3/17550 800.0 0.083 0.381 0.085 0.000 0.001 0.000 3/17550 810.0 0.082 0.376 0.084 0.000 0.001 0.000 3/17550 820.0 0.081 0.372 0.083 0.000 0.001 0.000 3/17550 830.0 0.080 0.367 0.082 0.000 0.001 0.000 3/17550 840.0 0.079 0.363 0.081 0.000 0.001 0.000 3/17550 850.0 0.078 0.359 0.080 0.000 0.001 0.000 3/17550 860.0 0.077 0.355 0.079 0.000 0.001 0.000 3/17550 870.0 0.076 0.350 0.078 0.000 0.001 0.000 3/17550 880.0 0.075 0.346 0.077 0.000 0.001 0.000 3/17550 890.0 0.075 0.343 0.076 0.000 0.001 0.000 3/17550 900.0 0.074 0.339 0.075 0.000 0.001 0.000 3/17550 910.0 0.073 0.335 0.074 0.000 0.001 0.000 3/17550 920.0 0.072 0.331 0.074 0.000 0.001 0.000 3/17550 930.0 0.071 0.328 0.073 0.000 0.001 0.000 3/17550 940.0 0.071 0.324 0.072 0.000 0.001 0.000 3/17550 950.0 0.070 0.321 0.071 0.000 0.001 0.000 3/17550 960.0 0.069 0.318 0.071 0.000 0.001 0.000 3/17550 970.0 0.068 0.314 0.070 0.000 0.001 0.000 3/17550 980.0 0.068 0.311 0.069 0.000 0.001 0.000 3/17550 990.0 0.067 0.308 0.068 0.000 0.001 0.000 3/17550 1000.0 0.066 0.305 0.068 0.000 0.001 0.000 3/17550Thermal conductivity related properties were written into "kappa-m5133.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 06:11:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|