----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:30:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.736278750023678 0.000000000000000 0.000000000000000 b 0.000000000000000 7.188789330000001 0.000000000000000 c -4.946996353975260 0.000000000000000 6.764173533975856 Atomic positions (fractional): *1 O 0.15600648492943 0.39078014554463 0.48383516988223 15.999 2 O 0.84399351507057 0.89078014554463 0.01616483011777 15.999 3 O 0.84399351507057 0.60921985445537 0.51616483011777 15.999 4 O 0.15600648492943 0.10921985445537 0.98383516988223 15.999 *5 O 0.39660444029025 0.15843234132884 0.39121538632590 15.999 6 O 0.60339555970975 0.65843234132884 0.10878461367410 15.999 7 O 0.60339555970975 0.84156765867116 0.60878461367410 15.999 8 O 0.39660444029025 0.34156765867116 0.89121538632590 15.999 *9 O 0.89611110731731 0.21442399799585 0.61841665006168 15.999 10 O 0.10388889268269 0.71442399799585 0.88158334993832 15.999 11 O 0.10388889268269 0.78557600200415 0.38158334993832 15.999 12 O 0.89611110731731 0.28557600200415 0.11841665006168 15.999 *13 O 0.32363930330911 0.99643389449341 0.75326724314812 15.999 14 O 0.67636069669089 0.49643389449341 0.74673275685188 15.999 15 O 0.67636069669089 0.00356610550659 0.24673275685188 15.999 16 O 0.32363930330911 0.50356610550659 0.25326724314812 15.999 *17 As 0.19094715569004 0.33660745147276 0.30419820985113 74.922 18 As 0.80905284430996 0.83660745147276 0.19580179014887 74.922 19 As 0.80905284430996 0.66339254852724 0.69580179014887 74.922 20 As 0.19094715569004 0.16339254852724 0.80419820985113 74.922 *21 La 0.68320552623075 0.34597073941541 0.28259494396256 138.905 22 La 0.31679447376925 0.84597073941541 0.21740505603744 138.905 23 La 0.31679447376925 0.65402926058459 0.71740505603744 138.905 24 La 0.68320552623075 0.15402926058459 0.78259494396256 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.736278750023678 0.000000000000000 0.000000000000000 b 0.000000000000000 7.188789330000001 0.000000000000000 c -4.946996353975260 0.000000000000000 6.764173533975856 Atomic positions (fractional): *1 O 0.15600648492943 0.39078014554463 0.48383516988223 15.999 > 1 2 O 0.84399351507057 0.89078014554463 0.01616483011777 15.999 > 2 3 O 0.84399351507057 0.60921985445537 0.51616483011777 15.999 > 3 4 O 0.15600648492943 0.10921985445537 0.98383516988223 15.999 > 4 *5 O 0.39660444029025 0.15843234132884 0.39121538632590 15.999 > 5 6 O 0.60339555970975 0.65843234132884 0.10878461367410 15.999 > 6 7 O 0.60339555970975 0.84156765867116 0.60878461367410 15.999 > 7 8 O 0.39660444029025 0.34156765867116 0.89121538632590 15.999 > 8 *9 O 0.89611110731731 0.21442399799585 0.61841665006168 15.999 > 9 10 O 0.10388889268269 0.71442399799585 0.88158334993832 15.999 > 10 11 O 0.10388889268269 0.78557600200415 0.38158334993832 15.999 > 11 12 O 0.89611110731731 0.28557600200415 0.11841665006168 15.999 > 12 *13 O 0.32363930330911 0.99643389449341 0.75326724314812 15.999 > 13 14 O 0.67636069669089 0.49643389449341 0.74673275685188 15.999 > 14 15 O 0.67636069669089 0.00356610550659 0.24673275685188 15.999 > 15 16 O 0.32363930330911 0.50356610550659 0.25326724314812 15.999 > 16 *17 As 0.19094715569004 0.33660745147276 0.30419820985113 74.922 > 17 18 As 0.80905284430996 0.83660745147276 0.19580179014887 74.922 > 18 19 As 0.80905284430996 0.66339254852724 0.69580179014887 74.922 > 19 20 As 0.19094715569004 0.16339254852724 0.80419820985113 74.922 > 20 *21 La 0.68320552623075 0.34597073941541 0.28259494396256 138.905 > 21 22 La 0.31679447376925 0.84597073941541 0.21740505603744 138.905 > 22 23 La 0.31679447376925 0.65402926058459 0.71740505603744 138.905 > 23 24 La 0.68320552623075 0.15402926058459 0.78259494396256 138.905 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.472557500047357 0.000000000000000 0.000000000000000 b 0.000000000000000 14.377578660000003 0.000000000000000 c -4.946996353975260 0.000000000000000 6.764173533975856 Atomic positions (fractional): *1 O 0.07800324246471 0.19539007277232 0.48383516988223 15.999 > 1 2 O 0.57800324246471 0.19539007277232 0.48383516988223 15.999 > 1 3 O 0.07800324246471 0.69539007277232 0.48383516988223 15.999 > 1 4 O 0.57800324246471 0.69539007277232 0.48383516988223 15.999 > 1 5 O 0.42199675753529 0.44539007277232 0.01616483011777 15.999 > 2 6 O 0.92199675753529 0.44539007277232 0.01616483011777 15.999 > 2 7 O 0.42199675753529 0.94539007277232 0.01616483011777 15.999 > 2 8 O 0.92199675753529 0.94539007277232 0.01616483011777 15.999 > 2 9 O 0.42199675753529 0.30460992722768 0.51616483011777 15.999 > 3 10 O 0.92199675753529 0.30460992722768 0.51616483011777 15.999 > 3 11 O 0.42199675753529 0.80460992722768 0.51616483011777 15.999 > 3 12 O 0.92199675753529 0.80460992722768 0.51616483011777 15.999 > 3 13 O 0.07800324246471 0.05460992722768 0.98383516988223 15.999 > 4 14 O 0.57800324246471 0.05460992722768 0.98383516988223 15.999 > 4 15 O 0.07800324246471 0.55460992722768 0.98383516988223 15.999 > 4 16 O 0.57800324246471 0.55460992722768 0.98383516988223 15.999 > 4 *17 O 0.19830222014513 0.07921617066442 0.39121538632590 15.999 > 5 18 O 0.69830222014513 0.07921617066442 0.39121538632590 15.999 > 5 19 O 0.19830222014513 0.57921617066442 0.39121538632590 15.999 > 5 20 O 0.69830222014513 0.57921617066442 0.39121538632590 15.999 > 5 21 O 0.30169777985487 0.32921617066442 0.10878461367410 15.999 > 6 22 O 0.80169777985487 0.32921617066442 0.10878461367410 15.999 > 6 23 O 0.30169777985487 0.82921617066442 0.10878461367410 15.999 > 6 24 O 0.80169777985487 0.82921617066442 0.10878461367410 15.999 > 6 25 O 0.30169777985487 0.42078382933558 0.60878461367410 15.999 > 7 26 O 0.80169777985487 0.42078382933558 0.60878461367410 15.999 > 7 27 O 0.30169777985487 0.92078382933558 0.60878461367410 15.999 > 7 28 O 0.80169777985487 0.92078382933558 0.60878461367410 15.999 > 7 29 O 0.19830222014513 0.17078382933558 0.89121538632590 15.999 > 8 30 O 0.69830222014513 0.17078382933558 0.89121538632590 15.999 > 8 31 O 0.19830222014513 0.67078382933558 0.89121538632590 15.999 > 8 32 O 0.69830222014513 0.67078382933558 0.89121538632590 15.999 > 8 *33 O 0.44805555365865 0.10721199899792 0.61841665006168 15.999 > 9 34 O 0.94805555365865 0.10721199899792 0.61841665006168 15.999 > 9 35 O 0.44805555365865 0.60721199899792 0.61841665006168 15.999 > 9 36 O 0.94805555365865 0.60721199899792 0.61841665006168 15.999 > 9 37 O 0.05194444634135 0.35721199899792 0.88158334993832 15.999 > 10 38 O 0.55194444634135 0.35721199899792 0.88158334993832 15.999 > 10 39 O 0.05194444634135 0.85721199899792 0.88158334993832 15.999 > 10 40 O 0.55194444634135 0.85721199899792 0.88158334993832 15.999 > 10 41 O 0.05194444634135 0.39278800100208 0.38158334993832 15.999 > 11 42 O 0.55194444634135 0.39278800100208 0.38158334993832 15.999 > 11 43 O 0.05194444634135 0.89278800100208 0.38158334993832 15.999 > 11 44 O 0.55194444634135 0.89278800100208 0.38158334993832 15.999 > 11 45 O 0.44805555365865 0.14278800100208 0.11841665006168 15.999 > 12 46 O 0.94805555365865 0.14278800100208 0.11841665006168 15.999 > 12 47 O 0.44805555365865 0.64278800100208 0.11841665006168 15.999 > 12 48 O 0.94805555365865 0.64278800100208 0.11841665006168 15.999 > 12 *49 O 0.16181965165455 0.49821694724670 0.75326724314812 15.999 > 13 50 O 0.66181965165455 0.49821694724670 0.75326724314812 15.999 > 13 51 O 0.16181965165455 0.99821694724670 0.75326724314812 15.999 > 13 52 O 0.66181965165455 0.99821694724670 0.75326724314812 15.999 > 13 53 O 0.33818034834545 0.24821694724670 0.74673275685188 15.999 > 14 54 O 0.83818034834545 0.24821694724670 0.74673275685188 15.999 > 14 55 O 0.33818034834545 0.74821694724670 0.74673275685188 15.999 > 14 56 O 0.83818034834545 0.74821694724670 0.74673275685188 15.999 > 14 57 O 0.33818034834545 0.00178305275330 0.24673275685188 15.999 > 15 58 O 0.83818034834545 0.00178305275330 0.24673275685188 15.999 > 15 59 O 0.33818034834545 0.50178305275330 0.24673275685188 15.999 > 15 60 O 0.83818034834545 0.50178305275330 0.24673275685188 15.999 > 15 61 O 0.16181965165455 0.25178305275330 0.25326724314812 15.999 > 16 62 O 0.66181965165455 0.25178305275330 0.25326724314812 15.999 > 16 63 O 0.16181965165455 0.75178305275330 0.25326724314812 15.999 > 16 64 O 0.66181965165455 0.75178305275330 0.25326724314812 15.999 > 16 *65 As 0.09547357784502 0.16830372573638 0.30419820985113 74.922 > 17 66 As 0.59547357784502 0.16830372573638 0.30419820985113 74.922 > 17 67 As 0.09547357784502 0.66830372573638 0.30419820985113 74.922 > 17 68 As 0.59547357784502 0.66830372573638 0.30419820985113 74.922 > 17 69 As 0.40452642215498 0.41830372573638 0.19580179014887 74.922 > 18 70 As 0.90452642215498 0.41830372573638 0.19580179014887 74.922 > 18 71 As 0.40452642215498 0.91830372573638 0.19580179014887 74.922 > 18 72 As 0.90452642215498 0.91830372573638 0.19580179014887 74.922 > 18 73 As 0.40452642215498 0.33169627426362 0.69580179014887 74.922 > 19 74 As 0.90452642215498 0.33169627426362 0.69580179014887 74.922 > 19 75 As 0.40452642215498 0.83169627426362 0.69580179014887 74.922 > 19 76 As 0.90452642215498 0.83169627426362 0.69580179014887 74.922 > 19 77 As 0.09547357784502 0.08169627426362 0.80419820985113 74.922 > 20 78 As 0.59547357784502 0.08169627426362 0.80419820985113 74.922 > 20 79 As 0.09547357784502 0.58169627426362 0.80419820985113 74.922 > 20 80 As 0.59547357784502 0.58169627426362 0.80419820985113 74.922 > 20 *81 La 0.34160276311537 0.17298536970771 0.28259494396256 138.905 > 21 82 La 0.84160276311537 0.17298536970771 0.28259494396256 138.905 > 21 83 La 0.34160276311537 0.67298536970771 0.28259494396256 138.905 > 21 84 La 0.84160276311537 0.67298536970771 0.28259494396256 138.905 > 21 85 La 0.15839723688463 0.42298536970771 0.21740505603744 138.905 > 22 86 La 0.65839723688463 0.42298536970771 0.21740505603744 138.905 > 22 87 La 0.15839723688463 0.92298536970771 0.21740505603744 138.905 > 22 88 La 0.65839723688463 0.92298536970771 0.21740505603744 138.905 > 22 89 La 0.15839723688463 0.32701463029229 0.71740505603744 138.905 > 23 90 La 0.65839723688463 0.32701463029229 0.71740505603744 138.905 > 23 91 La 0.15839723688463 0.82701463029229 0.71740505603744 138.905 > 23 92 La 0.65839723688463 0.82701463029229 0.71740505603744 138.905 > 23 93 La 0.34160276311537 0.07701463029229 0.78259494396256 138.905 > 24 94 La 0.84160276311537 0.07701463029229 0.78259494396256 138.905 > 24 95 La 0.34160276311537 0.57701463029229 0.78259494396256 138.905 > 24 96 La 0.84160276311537 0.57701463029229 0.78259494396256 138.905 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0139541 0.0000000 0.0083331 0.0000000 3.7673642 0.0000000 0.0064505 0.0000000 3.7271917 -------------------------- Born effective charges -------------------------- 1 O -2.1537856 0.2531875 0.2687794 0.1964857 -1.6677225 -0.5715633 0.3462152 -0.4251166 -2.1651084 2 O -2.1537856 -0.2531875 0.2687794 -0.1964857 -1.6677225 0.5715633 0.3462152 0.4251166 -2.1651084 3 O -2.1537856 0.2531875 0.2687794 0.1964857 -1.6677225 -0.5715633 0.3462152 -0.4251166 -2.1651084 4 O -2.1537856 -0.2531875 0.2687794 -0.1964857 -1.6677225 0.5715633 0.3462152 0.4251166 -2.1651084 5 O -1.7942772 0.4039910 -0.1221015 0.4501391 -2.3190107 0.0614844 -0.1049630 -0.0058068 -1.9675000 6 O -1.7942772 -0.4039910 -0.1221015 -0.4501391 -2.3190107 -0.0614844 -0.1049630 0.0058068 -1.9675000 7 O -1.7942772 0.4039910 -0.1221015 0.4501391 -2.3190107 0.0614844 -0.1049630 -0.0058068 -1.9675000 8 O -1.7942772 -0.4039910 -0.1221015 -0.4501391 -2.3190107 -0.0614844 -0.1049630 0.0058068 -1.9675000 9 O -2.1200487 0.0235288 -0.1330205 0.0552403 -1.3386719 0.5372936 -0.2662610 0.5251817 -2.3891971 10 O -2.1200487 -0.0235288 -0.1330205 -0.0552403 -1.3386719 -0.5372936 -0.2662610 -0.5251817 -2.3891971 11 O -2.1200487 0.0235288 -0.1330205 0.0552403 -1.3386719 0.5372936 -0.2662610 0.5251817 -2.3891971 12 O -2.1200487 -0.0235288 -0.1330205 -0.0552403 -1.3386719 -0.5372936 -0.2662610 -0.5251817 -2.3891971 13 O -2.2918706 0.2965887 0.0865999 0.3902874 -2.5914356 -0.1760399 0.1221937 -0.2967377 -1.2365568 14 O -2.2918706 -0.2965887 0.0865999 -0.3902874 -2.5914356 0.1760399 0.1221937 0.2967377 -1.2365568 15 O -2.2918706 0.2965887 0.0865999 0.3902874 -2.5914356 -0.1760399 0.1221937 -0.2967377 -1.2365568 16 O -2.2918706 -0.2965887 0.0865999 -0.3902874 -2.5914356 0.1760399 0.1221937 0.2967377 -1.2365568 17 As 3.9861280 -0.0510268 -0.0229727 -0.0352688 3.2860173 0.1618765 0.0105766 0.0923171 3.1250381 18 As 3.9861280 0.0510268 -0.0229727 0.0352688 3.2860173 -0.1618765 0.0105766 -0.0923171 3.1250381 19 As 3.9861280 -0.0510268 -0.0229727 -0.0352688 3.2860173 0.1618765 0.0105766 0.0923171 3.1250381 20 As 3.9861280 0.0510268 -0.0229727 0.0352688 3.2860173 -0.1618765 0.0105766 -0.0923171 3.1250381 21 La 4.3738541 -0.3815977 -0.0772848 -0.0308323 4.6308235 0.0811383 -0.1077615 0.2241740 4.6333243 22 La 4.3738541 0.3815977 -0.0772848 0.0308323 4.6308235 -0.0811383 -0.1077615 -0.2241740 4.6333243 23 La 4.3738541 -0.3815977 -0.0772848 -0.0308323 4.6308235 0.0811383 -0.1077615 0.2241740 4.6333243 24 La 4.3738541 0.3815977 -0.0772848 0.0308323 4.6308235 -0.0811383 -0.1077615 -0.2241740 4.6333243 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.647 Solver_block: 200 / 720 - Time: 0.552 Solver_block: 300 / 720 - Time: 0.551 Solver_block: 400 / 720 - Time: 0.561 Solver_block: 500 / 720 - Time: 0.550 Solver_block: 600 / 720 - Time: 0.553 Solver_block: 700 / 720 - Time: 0.557 Solver_block: 720 / 720 - Time: 0.201 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.276 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:31:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:31:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.736278750023678 0.000000000000000 0.000000000000000 b 0.000000000000000 7.188789330000001 0.000000000000000 c -4.946996353975260 0.000000000000000 6.764173533975856 Atomic positions (fractional): 1 O 0.15600648492943 0.39078014554463 0.48383516988223 15.999 2 O 0.84399351507057 0.89078014554463 0.01616483011777 15.999 3 O 0.84399351507057 0.60921985445537 0.51616483011777 15.999 4 O 0.15600648492943 0.10921985445537 0.98383516988223 15.999 5 O 0.39660444029025 0.15843234132884 0.39121538632590 15.999 6 O 0.60339555970975 0.65843234132884 0.10878461367410 15.999 7 O 0.60339555970975 0.84156765867116 0.60878461367410 15.999 8 O 0.39660444029025 0.34156765867116 0.89121538632590 15.999 9 O 0.89611110731731 0.21442399799585 0.61841665006168 15.999 10 O 0.10388889268269 0.71442399799585 0.88158334993832 15.999 11 O 0.10388889268269 0.78557600200415 0.38158334993832 15.999 12 O 0.89611110731731 0.28557600200415 0.11841665006168 15.999 13 O 0.32363930330911 0.99643389449341 0.75326724314812 15.999 14 O 0.67636069669089 0.49643389449341 0.74673275685188 15.999 15 O 0.67636069669089 0.00356610550659 0.24673275685188 15.999 16 O 0.32363930330911 0.50356610550659 0.25326724314812 15.999 17 As 0.19094715569004 0.33660745147276 0.30419820985113 74.922 18 As 0.80905284430996 0.83660745147276 0.19580179014887 74.922 19 As 0.80905284430996 0.66339254852724 0.69580179014887 74.922 20 As 0.19094715569004 0.16339254852724 0.80419820985113 74.922 21 La 0.68320552623075 0.34597073941541 0.28259494396256 138.905 22 La 0.31679447376925 0.84597073941541 0.21740505603744 138.905 23 La 0.31679447376925 0.65402926058459 0.71740505603744 138.905 24 La 0.68320552623075 0.15402926058459 0.78259494396256 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.472557500047357 0.000000000000000 0.000000000000000 b 0.000000000000000 14.377578660000003 0.000000000000000 c -4.946996353975260 0.000000000000000 6.764173533975856 Atomic positions (fractional): 1 O 0.07800324246471 0.19539007277232 0.48383516988223 15.999 > 1 2 O 0.57800324246471 0.19539007277232 0.48383516988223 15.999 > 1 3 O 0.07800324246471 0.69539007277232 0.48383516988223 15.999 > 1 4 O 0.57800324246471 0.69539007277232 0.48383516988223 15.999 > 1 5 O 0.42199675753529 0.44539007277232 0.01616483011777 15.999 > 5 6 O 0.92199675753529 0.44539007277232 0.01616483011777 15.999 > 5 7 O 0.42199675753529 0.94539007277232 0.01616483011777 15.999 > 5 8 O 0.92199675753529 0.94539007277232 0.01616483011777 15.999 > 5 9 O 0.42199675753529 0.30460992722768 0.51616483011777 15.999 > 9 10 O 0.92199675753529 0.30460992722768 0.51616483011777 15.999 > 9 11 O 0.42199675753529 0.80460992722768 0.51616483011777 15.999 > 9 12 O 0.92199675753529 0.80460992722768 0.51616483011777 15.999 > 9 13 O 0.07800324246471 0.05460992722768 0.98383516988223 15.999 > 13 14 O 0.57800324246471 0.05460992722768 0.98383516988223 15.999 > 13 15 O 0.07800324246471 0.55460992722768 0.98383516988223 15.999 > 13 16 O 0.57800324246471 0.55460992722768 0.98383516988223 15.999 > 13 17 O 0.19830222014513 0.07921617066442 0.39121538632590 15.999 > 17 18 O 0.69830222014513 0.07921617066442 0.39121538632590 15.999 > 17 19 O 0.19830222014513 0.57921617066442 0.39121538632590 15.999 > 17 20 O 0.69830222014513 0.57921617066442 0.39121538632590 15.999 > 17 21 O 0.30169777985487 0.32921617066442 0.10878461367410 15.999 > 21 22 O 0.80169777985487 0.32921617066442 0.10878461367410 15.999 > 21 23 O 0.30169777985487 0.82921617066442 0.10878461367410 15.999 > 21 24 O 0.80169777985487 0.82921617066442 0.10878461367410 15.999 > 21 25 O 0.30169777985487 0.42078382933558 0.60878461367410 15.999 > 25 26 O 0.80169777985487 0.42078382933558 0.60878461367410 15.999 > 25 27 O 0.30169777985487 0.92078382933558 0.60878461367410 15.999 > 25 28 O 0.80169777985487 0.92078382933558 0.60878461367410 15.999 > 25 29 O 0.19830222014513 0.17078382933558 0.89121538632590 15.999 > 29 30 O 0.69830222014513 0.17078382933558 0.89121538632590 15.999 > 29 31 O 0.19830222014513 0.67078382933558 0.89121538632590 15.999 > 29 32 O 0.69830222014513 0.67078382933558 0.89121538632590 15.999 > 29 33 O 0.44805555365865 0.10721199899792 0.61841665006168 15.999 > 33 34 O 0.94805555365865 0.10721199899792 0.61841665006168 15.999 > 33 35 O 0.44805555365865 0.60721199899792 0.61841665006168 15.999 > 33 36 O 0.94805555365865 0.60721199899792 0.61841665006168 15.999 > 33 37 O 0.05194444634135 0.35721199899792 0.88158334993832 15.999 > 37 38 O 0.55194444634135 0.35721199899792 0.88158334993832 15.999 > 37 39 O 0.05194444634135 0.85721199899792 0.88158334993832 15.999 > 37 40 O 0.55194444634135 0.85721199899792 0.88158334993832 15.999 > 37 41 O 0.05194444634135 0.39278800100208 0.38158334993832 15.999 > 41 42 O 0.55194444634135 0.39278800100208 0.38158334993832 15.999 > 41 43 O 0.05194444634135 0.89278800100208 0.38158334993832 15.999 > 41 44 O 0.55194444634135 0.89278800100208 0.38158334993832 15.999 > 41 45 O 0.44805555365865 0.14278800100208 0.11841665006168 15.999 > 45 46 O 0.94805555365865 0.14278800100208 0.11841665006168 15.999 > 45 47 O 0.44805555365865 0.64278800100208 0.11841665006168 15.999 > 45 48 O 0.94805555365865 0.64278800100208 0.11841665006168 15.999 > 45 49 O 0.16181965165455 0.49821694724670 0.75326724314812 15.999 > 49 50 O 0.66181965165455 0.49821694724670 0.75326724314812 15.999 > 49 51 O 0.16181965165455 0.99821694724670 0.75326724314812 15.999 > 49 52 O 0.66181965165455 0.99821694724670 0.75326724314812 15.999 > 49 53 O 0.33818034834545 0.24821694724670 0.74673275685188 15.999 > 53 54 O 0.83818034834545 0.24821694724670 0.74673275685188 15.999 > 53 55 O 0.33818034834545 0.74821694724670 0.74673275685188 15.999 > 53 56 O 0.83818034834545 0.74821694724670 0.74673275685188 15.999 > 53 57 O 0.33818034834545 0.00178305275330 0.24673275685188 15.999 > 57 58 O 0.83818034834545 0.00178305275330 0.24673275685188 15.999 > 57 59 O 0.33818034834545 0.50178305275330 0.24673275685188 15.999 > 57 60 O 0.83818034834545 0.50178305275330 0.24673275685188 15.999 > 57 61 O 0.16181965165455 0.25178305275330 0.25326724314812 15.999 > 61 62 O 0.66181965165455 0.25178305275330 0.25326724314812 15.999 > 61 63 O 0.16181965165455 0.75178305275330 0.25326724314812 15.999 > 61 64 O 0.66181965165455 0.75178305275330 0.25326724314812 15.999 > 61 65 As 0.09547357784502 0.16830372573638 0.30419820985113 74.922 > 65 66 As 0.59547357784502 0.16830372573638 0.30419820985113 74.922 > 65 67 As 0.09547357784502 0.66830372573638 0.30419820985113 74.922 > 65 68 As 0.59547357784502 0.66830372573638 0.30419820985113 74.922 > 65 69 As 0.40452642215498 0.41830372573638 0.19580179014887 74.922 > 69 70 As 0.90452642215498 0.41830372573638 0.19580179014887 74.922 > 69 71 As 0.40452642215498 0.91830372573638 0.19580179014887 74.922 > 69 72 As 0.90452642215498 0.91830372573638 0.19580179014887 74.922 > 69 73 As 0.40452642215498 0.33169627426362 0.69580179014887 74.922 > 73 74 As 0.90452642215498 0.33169627426362 0.69580179014887 74.922 > 73 75 As 0.40452642215498 0.83169627426362 0.69580179014887 74.922 > 73 76 As 0.90452642215498 0.83169627426362 0.69580179014887 74.922 > 73 77 As 0.09547357784502 0.08169627426362 0.80419820985113 74.922 > 77 78 As 0.59547357784502 0.08169627426362 0.80419820985113 74.922 > 77 79 As 0.09547357784502 0.58169627426362 0.80419820985113 74.922 > 77 80 As 0.59547357784502 0.58169627426362 0.80419820985113 74.922 > 77 81 La 0.34160276311537 0.17298536970771 0.28259494396256 138.905 > 81 82 La 0.84160276311537 0.17298536970771 0.28259494396256 138.905 > 81 83 La 0.34160276311537 0.67298536970771 0.28259494396256 138.905 > 81 84 La 0.84160276311537 0.67298536970771 0.28259494396256 138.905 > 81 85 La 0.15839723688463 0.42298536970771 0.21740505603744 138.905 > 85 86 La 0.65839723688463 0.42298536970771 0.21740505603744 138.905 > 85 87 La 0.15839723688463 0.92298536970771 0.21740505603744 138.905 > 85 88 La 0.65839723688463 0.92298536970771 0.21740505603744 138.905 > 85 89 La 0.15839723688463 0.32701463029229 0.71740505603744 138.905 > 89 90 La 0.65839723688463 0.32701463029229 0.71740505603744 138.905 > 89 91 La 0.15839723688463 0.82701463029229 0.71740505603744 138.905 > 89 92 La 0.65839723688463 0.82701463029229 0.71740505603744 138.905 > 89 93 La 0.34160276311537 0.07701463029229 0.78259494396256 138.905 > 93 94 La 0.84160276311537 0.07701463029229 0.78259494396256 138.905 > 93 95 La 0.34160276311537 0.57701463029229 0.78259494396256 138.905 > 93 96 La 0.84160276311537 0.57701463029229 0.78259494396256 138.905 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0139541 0.0000000 0.0083331 0.0000000 3.7673642 0.0000000 0.0064505 0.0000000 3.7271917 -------------------------- Born effective charges -------------------------- 1 O -2.1537856 0.2531875 0.2687794 0.1964857 -1.6677225 -0.5715633 0.3462152 -0.4251166 -2.1651084 2 O -2.1537856 -0.2531875 0.2687794 -0.1964857 -1.6677225 0.5715633 0.3462152 0.4251166 -2.1651084 3 O -2.1537856 0.2531875 0.2687794 0.1964857 -1.6677225 -0.5715633 0.3462152 -0.4251166 -2.1651084 4 O -2.1537856 -0.2531875 0.2687794 -0.1964857 -1.6677225 0.5715633 0.3462152 0.4251166 -2.1651084 5 O -1.7942772 0.4039910 -0.1221015 0.4501391 -2.3190107 0.0614844 -0.1049630 -0.0058068 -1.9675000 6 O -1.7942772 -0.4039910 -0.1221015 -0.4501391 -2.3190107 -0.0614844 -0.1049630 0.0058068 -1.9675000 7 O -1.7942772 0.4039910 -0.1221015 0.4501391 -2.3190107 0.0614844 -0.1049630 -0.0058068 -1.9675000 8 O -1.7942772 -0.4039910 -0.1221015 -0.4501391 -2.3190107 -0.0614844 -0.1049630 0.0058068 -1.9675000 9 O -2.1200487 0.0235288 -0.1330205 0.0552403 -1.3386719 0.5372936 -0.2662610 0.5251817 -2.3891971 10 O -2.1200487 -0.0235288 -0.1330205 -0.0552403 -1.3386719 -0.5372936 -0.2662610 -0.5251817 -2.3891971 11 O -2.1200487 0.0235288 -0.1330205 0.0552403 -1.3386719 0.5372936 -0.2662610 0.5251817 -2.3891971 12 O -2.1200487 -0.0235288 -0.1330205 -0.0552403 -1.3386719 -0.5372936 -0.2662610 -0.5251817 -2.3891971 13 O -2.2918706 0.2965887 0.0865999 0.3902874 -2.5914356 -0.1760399 0.1221937 -0.2967377 -1.2365568 14 O -2.2918706 -0.2965887 0.0865999 -0.3902874 -2.5914356 0.1760399 0.1221937 0.2967377 -1.2365568 15 O -2.2918706 0.2965887 0.0865999 0.3902874 -2.5914356 -0.1760399 0.1221937 -0.2967377 -1.2365568 16 O -2.2918706 -0.2965887 0.0865999 -0.3902874 -2.5914356 0.1760399 0.1221937 0.2967377 -1.2365568 17 As 3.9861280 -0.0510268 -0.0229727 -0.0352688 3.2860173 0.1618765 0.0105766 0.0923171 3.1250381 18 As 3.9861280 0.0510268 -0.0229727 0.0352688 3.2860173 -0.1618765 0.0105766 -0.0923171 3.1250381 19 As 3.9861280 -0.0510268 -0.0229727 -0.0352688 3.2860173 0.1618765 0.0105766 0.0923171 3.1250381 20 As 3.9861280 0.0510268 -0.0229727 0.0352688 3.2860173 -0.1618765 0.0105766 -0.0923171 3.1250381 21 La 4.3738541 -0.3815977 -0.0772848 -0.0308323 4.6308235 0.0811383 -0.1077615 0.2241740 4.6333243 22 La 4.3738541 0.3815977 -0.0772848 0.0308323 4.6308235 -0.0811383 -0.1077615 -0.2241740 4.6333243 23 La 4.3738541 -0.3815977 -0.0772848 -0.0308323 4.6308235 0.0811383 -0.1077615 0.2241740 4.6333243 24 La 4.3738541 0.3815977 -0.0772848 0.0308323 4.6308235 -0.0811383 -0.1077615 -0.2241740 4.6333243 ---------------------------------------------------------------------------- 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:31:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:31:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.736278750023678 0.000000000000000 0.000000000000000 b 0.000000000000000 7.188789330000001 0.000000000000000 c -4.946996353975260 0.000000000000000 6.764173533975856 Atomic positions (fractional): 1 O 0.15600648492943 0.39078014554463 0.48383516988223 15.999 2 O 0.84399351507057 0.89078014554463 0.01616483011777 15.999 3 O 0.84399351507057 0.60921985445537 0.51616483011777 15.999 4 O 0.15600648492943 0.10921985445537 0.98383516988223 15.999 5 O 0.39660444029025 0.15843234132884 0.39121538632590 15.999 6 O 0.60339555970975 0.65843234132884 0.10878461367410 15.999 7 O 0.60339555970975 0.84156765867116 0.60878461367410 15.999 8 O 0.39660444029025 0.34156765867116 0.89121538632590 15.999 9 O 0.89611110731731 0.21442399799585 0.61841665006168 15.999 10 O 0.10388889268269 0.71442399799585 0.88158334993832 15.999 11 O 0.10388889268269 0.78557600200415 0.38158334993832 15.999 12 O 0.89611110731731 0.28557600200415 0.11841665006168 15.999 13 O 0.32363930330911 0.99643389449341 0.75326724314812 15.999 14 O 0.67636069669089 0.49643389449341 0.74673275685188 15.999 15 O 0.67636069669089 0.00356610550659 0.24673275685188 15.999 16 O 0.32363930330911 0.50356610550659 0.25326724314812 15.999 17 As 0.19094715569004 0.33660745147276 0.30419820985113 74.922 18 As 0.80905284430996 0.83660745147276 0.19580179014887 74.922 19 As 0.80905284430996 0.66339254852724 0.69580179014887 74.922 20 As 0.19094715569004 0.16339254852724 0.80419820985113 74.922 21 La 0.68320552623075 0.34597073941541 0.28259494396256 138.905 22 La 0.31679447376925 0.84597073941541 0.21740505603744 138.905 23 La 0.31679447376925 0.65402926058459 0.71740505603744 138.905 24 La 0.68320552623075 0.15402926058459 0.78259494396256 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.472557500047357 0.000000000000000 0.000000000000000 b 0.000000000000000 14.377578660000003 0.000000000000000 c -4.946996353975260 0.000000000000000 6.764173533975856 Atomic positions (fractional): 1 O 0.07800324246471 0.19539007277232 0.48383516988223 15.999 > 1 2 O 0.57800324246471 0.19539007277232 0.48383516988223 15.999 > 1 3 O 0.07800324246471 0.69539007277232 0.48383516988223 15.999 > 1 4 O 0.57800324246471 0.69539007277232 0.48383516988223 15.999 > 1 5 O 0.42199675753529 0.44539007277232 0.01616483011777 15.999 > 5 6 O 0.92199675753529 0.44539007277232 0.01616483011777 15.999 > 5 7 O 0.42199675753529 0.94539007277232 0.01616483011777 15.999 > 5 8 O 0.92199675753529 0.94539007277232 0.01616483011777 15.999 > 5 9 O 0.42199675753529 0.30460992722768 0.51616483011777 15.999 > 9 10 O 0.92199675753529 0.30460992722768 0.51616483011777 15.999 > 9 11 O 0.42199675753529 0.80460992722768 0.51616483011777 15.999 > 9 12 O 0.92199675753529 0.80460992722768 0.51616483011777 15.999 > 9 13 O 0.07800324246471 0.05460992722768 0.98383516988223 15.999 > 13 14 O 0.57800324246471 0.05460992722768 0.98383516988223 15.999 > 13 15 O 0.07800324246471 0.55460992722768 0.98383516988223 15.999 > 13 16 O 0.57800324246471 0.55460992722768 0.98383516988223 15.999 > 13 17 O 0.19830222014513 0.07921617066442 0.39121538632590 15.999 > 17 18 O 0.69830222014513 0.07921617066442 0.39121538632590 15.999 > 17 19 O 0.19830222014513 0.57921617066442 0.39121538632590 15.999 > 17 20 O 0.69830222014513 0.57921617066442 0.39121538632590 15.999 > 17 21 O 0.30169777985487 0.32921617066442 0.10878461367410 15.999 > 21 22 O 0.80169777985487 0.32921617066442 0.10878461367410 15.999 > 21 23 O 0.30169777985487 0.82921617066442 0.10878461367410 15.999 > 21 24 O 0.80169777985487 0.82921617066442 0.10878461367410 15.999 > 21 25 O 0.30169777985487 0.42078382933558 0.60878461367410 15.999 > 25 26 O 0.80169777985487 0.42078382933558 0.60878461367410 15.999 > 25 27 O 0.30169777985487 0.92078382933558 0.60878461367410 15.999 > 25 28 O 0.80169777985487 0.92078382933558 0.60878461367410 15.999 > 25 29 O 0.19830222014513 0.17078382933558 0.89121538632590 15.999 > 29 30 O 0.69830222014513 0.17078382933558 0.89121538632590 15.999 > 29 31 O 0.19830222014513 0.67078382933558 0.89121538632590 15.999 > 29 32 O 0.69830222014513 0.67078382933558 0.89121538632590 15.999 > 29 33 O 0.44805555365865 0.10721199899792 0.61841665006168 15.999 > 33 34 O 0.94805555365865 0.10721199899792 0.61841665006168 15.999 > 33 35 O 0.44805555365865 0.60721199899792 0.61841665006168 15.999 > 33 36 O 0.94805555365865 0.60721199899792 0.61841665006168 15.999 > 33 37 O 0.05194444634135 0.35721199899792 0.88158334993832 15.999 > 37 38 O 0.55194444634135 0.35721199899792 0.88158334993832 15.999 > 37 39 O 0.05194444634135 0.85721199899792 0.88158334993832 15.999 > 37 40 O 0.55194444634135 0.85721199899792 0.88158334993832 15.999 > 37 41 O 0.05194444634135 0.39278800100208 0.38158334993832 15.999 > 41 42 O 0.55194444634135 0.39278800100208 0.38158334993832 15.999 > 41 43 O 0.05194444634135 0.89278800100208 0.38158334993832 15.999 > 41 44 O 0.55194444634135 0.89278800100208 0.38158334993832 15.999 > 41 45 O 0.44805555365865 0.14278800100208 0.11841665006168 15.999 > 45 46 O 0.94805555365865 0.14278800100208 0.11841665006168 15.999 > 45 47 O 0.44805555365865 0.64278800100208 0.11841665006168 15.999 > 45 48 O 0.94805555365865 0.64278800100208 0.11841665006168 15.999 > 45 49 O 0.16181965165455 0.49821694724670 0.75326724314812 15.999 > 49 50 O 0.66181965165455 0.49821694724670 0.75326724314812 15.999 > 49 51 O 0.16181965165455 0.99821694724670 0.75326724314812 15.999 > 49 52 O 0.66181965165455 0.99821694724670 0.75326724314812 15.999 > 49 53 O 0.33818034834545 0.24821694724670 0.74673275685188 15.999 > 53 54 O 0.83818034834545 0.24821694724670 0.74673275685188 15.999 > 53 55 O 0.33818034834545 0.74821694724670 0.74673275685188 15.999 > 53 56 O 0.83818034834545 0.74821694724670 0.74673275685188 15.999 > 53 57 O 0.33818034834545 0.00178305275330 0.24673275685188 15.999 > 57 58 O 0.83818034834545 0.00178305275330 0.24673275685188 15.999 > 57 59 O 0.33818034834545 0.50178305275330 0.24673275685188 15.999 > 57 60 O 0.83818034834545 0.50178305275330 0.24673275685188 15.999 > 57 61 O 0.16181965165455 0.25178305275330 0.25326724314812 15.999 > 61 62 O 0.66181965165455 0.25178305275330 0.25326724314812 15.999 > 61 63 O 0.16181965165455 0.75178305275330 0.25326724314812 15.999 > 61 64 O 0.66181965165455 0.75178305275330 0.25326724314812 15.999 > 61 65 As 0.09547357784502 0.16830372573638 0.30419820985113 74.922 > 65 66 As 0.59547357784502 0.16830372573638 0.30419820985113 74.922 > 65 67 As 0.09547357784502 0.66830372573638 0.30419820985113 74.922 > 65 68 As 0.59547357784502 0.66830372573638 0.30419820985113 74.922 > 65 69 As 0.40452642215498 0.41830372573638 0.19580179014887 74.922 > 69 70 As 0.90452642215498 0.41830372573638 0.19580179014887 74.922 > 69 71 As 0.40452642215498 0.91830372573638 0.19580179014887 74.922 > 69 72 As 0.90452642215498 0.91830372573638 0.19580179014887 74.922 > 69 73 As 0.40452642215498 0.33169627426362 0.69580179014887 74.922 > 73 74 As 0.90452642215498 0.33169627426362 0.69580179014887 74.922 > 73 75 As 0.40452642215498 0.83169627426362 0.69580179014887 74.922 > 73 76 As 0.90452642215498 0.83169627426362 0.69580179014887 74.922 > 73 77 As 0.09547357784502 0.08169627426362 0.80419820985113 74.922 > 77 78 As 0.59547357784502 0.08169627426362 0.80419820985113 74.922 > 77 79 As 0.09547357784502 0.58169627426362 0.80419820985113 74.922 > 77 80 As 0.59547357784502 0.58169627426362 0.80419820985113 74.922 > 77 81 La 0.34160276311537 0.17298536970771 0.28259494396256 138.905 > 81 82 La 0.84160276311537 0.17298536970771 0.28259494396256 138.905 > 81 83 La 0.34160276311537 0.67298536970771 0.28259494396256 138.905 > 81 84 La 0.84160276311537 0.67298536970771 0.28259494396256 138.905 > 81 85 La 0.15839723688463 0.42298536970771 0.21740505603744 138.905 > 85 86 La 0.65839723688463 0.42298536970771 0.21740505603744 138.905 > 85 87 La 0.15839723688463 0.92298536970771 0.21740505603744 138.905 > 85 88 La 0.65839723688463 0.92298536970771 0.21740505603744 138.905 > 85 89 La 0.15839723688463 0.32701463029229 0.71740505603744 138.905 > 89 90 La 0.65839723688463 0.32701463029229 0.71740505603744 138.905 > 89 91 La 0.15839723688463 0.82701463029229 0.71740505603744 138.905 > 89 92 La 0.65839723688463 0.82701463029229 0.71740505603744 138.905 > 89 93 La 0.34160276311537 0.07701463029229 0.78259494396256 138.905 > 93 94 La 0.84160276311537 0.07701463029229 0.78259494396256 138.905 > 93 95 La 0.34160276311537 0.57701463029229 0.78259494396256 138.905 > 93 96 La 0.84160276311537 0.57701463029229 0.78259494396256 138.905 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0139541 0.0000000 0.0083331 0.0000000 3.7673642 0.0000000 0.0064505 0.0000000 3.7271917 -------------------------- Born effective charges -------------------------- 1 O -2.1537856 0.2531875 0.2687794 0.1964857 -1.6677225 -0.5715633 0.3462152 -0.4251166 -2.1651084 2 O -2.1537856 -0.2531875 0.2687794 -0.1964857 -1.6677225 0.5715633 0.3462152 0.4251166 -2.1651084 3 O -2.1537856 0.2531875 0.2687794 0.1964857 -1.6677225 -0.5715633 0.3462152 -0.4251166 -2.1651084 4 O -2.1537856 -0.2531875 0.2687794 -0.1964857 -1.6677225 0.5715633 0.3462152 0.4251166 -2.1651084 5 O -1.7942772 0.4039910 -0.1221015 0.4501391 -2.3190107 0.0614844 -0.1049630 -0.0058068 -1.9675000 6 O -1.7942772 -0.4039910 -0.1221015 -0.4501391 -2.3190107 -0.0614844 -0.1049630 0.0058068 -1.9675000 7 O -1.7942772 0.4039910 -0.1221015 0.4501391 -2.3190107 0.0614844 -0.1049630 -0.0058068 -1.9675000 8 O -1.7942772 -0.4039910 -0.1221015 -0.4501391 -2.3190107 -0.0614844 -0.1049630 0.0058068 -1.9675000 9 O -2.1200487 0.0235288 -0.1330205 0.0552403 -1.3386719 0.5372936 -0.2662610 0.5251817 -2.3891971 10 O -2.1200487 -0.0235288 -0.1330205 -0.0552403 -1.3386719 -0.5372936 -0.2662610 -0.5251817 -2.3891971 11 O -2.1200487 0.0235288 -0.1330205 0.0552403 -1.3386719 0.5372936 -0.2662610 0.5251817 -2.3891971 12 O -2.1200487 -0.0235288 -0.1330205 -0.0552403 -1.3386719 -0.5372936 -0.2662610 -0.5251817 -2.3891971 13 O -2.2918706 0.2965887 0.0865999 0.3902874 -2.5914356 -0.1760399 0.1221937 -0.2967377 -1.2365568 14 O -2.2918706 -0.2965887 0.0865999 -0.3902874 -2.5914356 0.1760399 0.1221937 0.2967377 -1.2365568 15 O -2.2918706 0.2965887 0.0865999 0.3902874 -2.5914356 -0.1760399 0.1221937 -0.2967377 -1.2365568 16 O -2.2918706 -0.2965887 0.0865999 -0.3902874 -2.5914356 0.1760399 0.1221937 0.2967377 -1.2365568 17 As 3.9861280 -0.0510268 -0.0229727 -0.0352688 3.2860173 0.1618765 0.0105766 0.0923171 3.1250381 18 As 3.9861280 0.0510268 -0.0229727 0.0352688 3.2860173 -0.1618765 0.0105766 -0.0923171 3.1250381 19 As 3.9861280 -0.0510268 -0.0229727 -0.0352688 3.2860173 0.1618765 0.0105766 0.0923171 3.1250381 20 As 3.9861280 0.0510268 -0.0229727 0.0352688 3.2860173 -0.1618765 0.0105766 -0.0923171 3.1250381 21 La 4.3738541 -0.3815977 -0.0772848 -0.0308323 4.6308235 0.0811383 -0.1077615 0.2241740 4.6333243 22 La 4.3738541 0.3815977 -0.0772848 0.0308323 4.6308235 -0.0811383 -0.1077615 -0.2241740 4.6333243 23 La 4.3738541 -0.3815977 -0.0772848 -0.0308323 4.6308235 0.0811383 -0.1077615 0.2241740 4.6333243 24 La 4.3738541 0.3815977 -0.0772848 0.0308323 4.6308235 -0.0811383 -0.1077615 -0.2241740 4.6333243 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 7 ] 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: 0.60, Number of G-points: 289, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.642 ( 0.000 0.000 0.000) 0.000 2.684 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 7.035 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.204 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 8.443 ( 0.000 0.000 0.000) 0.000 8.917 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.333 ( 0.000 0.000 0.000) 0.000 9.725 ( 0.000 0.000 0.000) 0.000 10.241 ( 0.000 0.000 0.000) 0.000 10.808 ( 0.000 0.000 0.000) 0.000 11.049 ( 0.000 0.000 0.000) 0.000 11.479 ( 0.000 0.000 0.000) 0.000 11.592 ( 0.000 0.000 0.000) 0.000 11.688 ( 0.000 0.000 0.000) 0.000 11.726 ( 0.000 0.000 0.000) 0.000 12.200 ( 0.000 0.000 0.000) 0.000 12.432 ( 0.000 0.000 0.000) 0.000 12.458 ( 0.000 0.000 0.000) 0.000 12.623 ( 0.000 0.000 0.000) 0.000 12.987 ( 0.000 0.000 0.000) 0.000 12.999 ( 0.000 0.000 0.000) 0.000 13.642 ( 0.000 0.000 0.000) 0.000 13.780 ( 0.000 0.000 0.000) 0.000 21.829 ( 0.000 0.000 0.000) 0.000 22.200 ( 0.000 0.000 0.000) 0.000 22.410 ( 0.000 0.000 0.000) 0.000 22.626 ( 0.000 0.000 0.000) 0.000 22.756 ( 0.000 0.000 0.000) 0.000 22.775 ( 0.000 0.000 0.000) 0.000 22.907 ( 0.000 0.000 0.000) 0.000 23.577 ( 0.000 0.000 0.000) 0.000 23.622 ( 0.000 0.000 0.000) 0.000 23.761 ( 0.000 0.000 0.000) 0.000 23.834 ( 0.000 0.000 0.000) 0.000 23.856 ( 0.000 0.000 0.000) 0.000 24.151 ( 0.000 0.000 0.000) 0.000 24.310 ( 0.000 0.000 0.000) 0.000 24.467 ( 0.000 0.000 0.000) 0.000 24.606 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 20.822 0.000 12.479) 24.275 0.631 ( 13.522 0.000 32.886) 35.557 1.091 ( 51.220 0.000 16.311) 53.755 2.004 ( 5.252 0.000 -20.268) 20.937 2.424 ( 8.520 0.000 -1.399) 8.634 2.550 ( 10.841 0.000 4.719) 11.823 2.683 ( 6.217 0.000 -8.007) 10.138 2.872 ( 14.002 0.000 9.080) 16.689 2.945 ( 2.824 0.000 -5.902) 6.543 3.161 ( -3.204 0.000 4.816) 5.784 3.427 ( 1.590 0.000 -1.027) 1.893 3.609 ( -1.716 0.000 2.045) 2.670 3.795 ( 1.454 0.000 1.889) 2.384 3.882 ( -3.975 0.000 2.877) 4.907 3.891 ( 14.133 0.000 13.619) 19.627 4.046 ( -7.074 0.000 12.623) 14.470 4.431 ( -5.496 0.000 1.777) 5.776 4.460 ( 0.540 0.000 1.897) 1.973 4.489 ( 3.261 0.000 1.389) 3.544 4.589 ( 5.114 0.000 -2.603) 5.739 4.751 ( 3.022 0.000 3.603) 4.702 5.082 ( -4.040 0.000 -5.751) 7.028 5.087 ( -6.106 0.000 9.014) 10.887 5.305 ( 0.615 0.000 2.586) 2.658 5.437 ( -3.402 0.000 0.808) 3.497 5.840 ( -0.922 0.000 -1.484) 1.747 5.988 ( -5.219 0.000 -6.277) 8.163 6.074 ( 8.293 0.000 -9.056) 12.279 6.179 ( 2.732 0.000 3.932) 4.788 6.412 ( 1.772 0.000 1.200) 2.140 6.623 ( -0.975 0.000 -0.533) 1.111 6.977 ( 0.456 0.000 2.648) 2.687 7.096 ( -8.266 0.000 -3.261) 8.886 7.229 ( 3.375 0.000 -1.252) 3.600 7.354 ( 6.179 0.000 -30.684) 31.300 7.827 ( 8.288 0.000 2.092) 8.548 8.424 ( -4.016 0.000 2.788) 4.889 8.914 ( 1.258 0.000 -2.292) 2.615 9.267 ( -5.034 0.000 6.071) 7.886 9.323 ( 0.142 0.000 -1.920) 1.925 9.763 ( 4.208 0.000 0.402) 4.228 10.244 ( -0.035 0.000 0.487) 0.488 10.853 ( -7.327 0.000 7.217) 10.284 11.020 ( -7.174 0.000 5.566) 9.080 11.495 ( -2.316 0.000 -7.991) 8.320 11.692 ( -0.240 0.000 -4.521) 4.527 11.755 ( -0.531 0.000 5.854) 5.878 11.810 ( -13.627 0.000 20.772) 24.843 12.069 ( -13.931 0.000 0.341) 13.935 12.362 ( -7.515 0.000 -3.440) 8.265 12.587 ( -3.245 0.000 -1.419) 3.542 12.608 ( -27.299 0.000 6.116) 27.976 13.343 ( 21.251 0.000 -2.846) 21.440 13.724 ( 8.847 0.000 0.157) 8.849 13.914 ( 12.289 0.000 2.481) 12.537 14.256 ( 30.160 0.000 -41.901) 51.627 21.846 ( 1.904 0.000 0.188) 1.913 22.292 ( 4.721 0.000 -15.204) 15.920 22.411 ( 0.471 0.000 -0.802) 0.930 22.652 ( -17.497 0.000 18.230) 25.268 22.729 ( -2.811 0.000 -2.760) 3.940 22.849 ( 2.006 0.000 7.742) 7.997 22.925 ( -0.201 0.000 2.504) 2.512 23.585 ( -2.641 0.000 -2.024) 3.327 23.614 ( 3.373 0.000 0.752) 3.456 23.731 ( -2.921 0.000 -0.100) 2.923 23.885 ( 2.820 0.000 3.080) 4.176 23.927 ( 0.320 0.000 -0.780) 0.843 24.325 ( 0.991 0.000 1.173) 1.536 24.450 ( -3.967 0.000 2.861) 4.891 24.628 ( 5.493 0.000 -4.124) 6.869 25.927 ( 5.364 0.000 -6.380) 8.335 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 20.007 0.000 10.235) 22.473 1.226 ( 12.195 0.000 30.014) 32.396 1.915 ( 11.231 0.000 -15.193) 18.893 2.024 ( 40.767 0.000 9.257) 41.805 2.505 ( 5.020 0.000 -3.375) 6.050 2.728 ( 5.685 0.000 0.833) 5.746 2.732 ( 5.623 0.000 -6.010) 8.230 2.944 ( 8.601 0.000 -2.237) 8.888 3.193 ( -3.072 0.000 5.506) 6.305 3.298 ( 17.126 0.000 -1.040) 17.157 3.506 ( 11.826 0.000 10.457) 15.787 3.566 ( -4.721 0.000 3.367) 5.798 3.825 ( 1.449 0.000 -2.119) 2.567 3.842 ( -3.791 0.000 1.538) 4.091 4.075 ( -4.869 0.000 7.804) 9.198 4.341 ( -0.682 0.000 4.915) 4.962 4.388 ( 13.537 0.000 11.274) 17.617 4.502 ( 2.635 0.000 1.178) 2.886 4.602 ( 2.090 0.000 8.858) 9.102 4.656 ( 5.064 0.000 -1.485) 5.278 4.874 ( 6.880 0.000 3.287) 7.625 4.965 ( -0.732 0.000 -3.697) 3.769 5.098 ( 0.293 0.000 0.444) 0.532 5.316 ( -1.991 0.000 1.486) 2.484 5.367 ( -5.850 0.000 0.666) 5.888 5.724 ( -7.245 0.000 -6.931) 10.026 5.881 ( -1.084 0.000 -0.524) 1.204 6.102 ( 6.629 0.000 -7.123) 9.731 6.233 ( 1.368 0.000 -3.059) 3.351 6.507 ( 3.979 0.000 6.946) 8.005 6.591 ( -2.259 0.000 -0.953) 2.452 6.885 ( -8.428 0.000 -5.604) 10.121 7.019 ( 1.412 0.000 -8.925) 9.036 7.078 ( -3.577 0.000 -7.458) 8.272 7.273 ( 2.988 0.000 -1.004) 3.152 7.971 ( 4.761 0.000 4.025) 6.235 8.391 ( -6.044 0.000 6.158) 8.629 8.897 ( 1.465 0.000 -4.653) 4.878 9.249 ( -1.908 0.000 -0.390) 1.947 9.302 ( -1.390 0.000 1.384) 1.961 9.864 ( 6.555 0.000 1.023) 6.635 10.246 ( -0.307 0.000 0.084) 0.318 10.797 ( -2.214 0.000 -3.797) 4.395 10.969 ( -11.052 0.000 11.952) 16.279 11.348 ( -3.451 0.000 -8.584) 9.252 11.595 ( 1.929 0.000 -15.207) 15.329 11.668 ( -13.819 0.000 -2.605) 14.063 11.830 ( -4.252 0.000 7.337) 8.480 11.931 ( -5.780 0.000 8.445) 10.233 12.183 ( -8.169 0.000 -3.196) 8.772 12.283 ( -23.809 0.000 11.604) 26.486 12.491 ( -4.033 0.000 -4.141) 5.780 13.620 ( 15.960 0.000 -2.010) 16.086 13.894 ( 10.505 0.000 0.057) 10.505 14.174 ( 13.983 0.000 2.584) 14.220 14.242 ( 12.837 0.000 -19.391) 23.255 21.894 ( 3.354 0.000 0.396) 3.377 22.186 ( 1.287 0.000 -9.670) 9.756 22.400 ( -2.005 0.000 0.678) 2.117 22.586 ( -8.479 0.000 7.012) 11.003 22.635 ( -3.991 0.000 -2.891) 4.928 22.951 ( -0.708 0.000 2.951) 3.035 22.971 ( 3.041 0.000 4.930) 5.793 23.491 ( -4.367 0.000 -3.943) 5.883 23.678 ( -3.391 0.000 0.448) 3.420 23.682 ( 3.537 0.000 0.091) 3.539 23.926 ( 0.464 0.000 -0.458) 0.652 23.977 ( 2.732 0.000 4.095) 4.923 24.373 ( 2.095 0.000 2.493) 3.256 24.412 ( -4.755 0.000 3.011) 5.628 24.683 ( 7.455 0.000 -4.629) 8.775 25.943 ( 2.091 0.000 -1.279) 2.452 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 17.639 0.000 7.344) 19.107 1.739 ( 9.603 0.000 23.972) 25.824 2.006 ( 12.322 0.000 -3.869) 12.915 2.495 ( 5.699 0.000 -1.300) 5.845 2.584 ( 8.868 0.000 3.459) 9.519 2.612 ( -4.593 0.000 -9.420) 10.480 2.964 ( 21.518 0.000 1.441) 21.566 3.047 ( 3.105 0.000 -5.574) 6.381 3.241 ( 2.438 0.000 6.045) 6.518 3.291 ( -1.291 0.000 -8.511) 8.609 3.558 ( -3.988 0.000 7.199) 8.230 3.771 ( -1.288 0.000 -6.139) 6.273 3.809 ( -0.884 0.000 0.026) 0.884 3.974 ( 7.693 0.000 1.198) 7.786 4.152 ( 12.225 0.000 15.785) 19.966 4.260 ( -4.835 0.000 -1.790) 5.155 4.575 ( 3.357 0.000 2.482) 4.174 4.591 ( -1.809 0.000 -4.172) 4.547 4.728 ( -1.906 0.000 9.788) 9.972 4.831 ( 18.097 0.000 0.323) 18.099 5.069 ( 9.632 0.000 5.434) 11.059 5.069 ( 5.731 0.000 10.883) 12.300 5.106 ( 1.430 0.000 -0.380) 1.480 5.285 ( -3.303 0.000 -0.204) 3.310 5.293 ( -2.094 0.000 1.226) 2.427 5.542 ( -5.211 0.000 -4.024) 6.584 5.873 ( -0.951 0.000 1.195) 1.528 6.113 ( 4.683 0.000 -6.824) 8.277 6.157 ( -2.925 0.000 -5.522) 6.249 6.503 ( -5.440 0.000 -3.636) 6.543 6.578 ( -2.321 0.000 -2.948) 3.752 6.719 ( -10.371 0.000 -12.430) 16.188 6.837 ( 4.149 0.000 8.123) 9.122 7.158 ( 4.961 0.000 3.505) 6.074 7.286 ( 1.521 0.000 -3.615) 3.922 8.080 ( 3.029 0.000 3.120) 4.348 8.385 ( -4.972 0.000 8.143) 9.541 8.846 ( 0.309 0.000 -6.099) 6.107 9.198 ( -0.986 0.000 -3.181) 3.330 9.314 ( -1.383 0.000 3.675) 3.927 9.989 ( 6.029 0.000 1.646) 6.250 10.233 ( -0.750 0.000 -0.773) 1.077 10.700 ( -2.521 0.000 -4.722) 5.353 10.954 ( -8.884 0.000 12.589) 15.408 11.175 ( -5.331 0.000 -7.360) 9.088 11.396 ( -0.154 0.000 -17.806) 17.806 11.412 ( -10.860 0.000 -2.536) 11.152 11.861 ( 1.516 0.000 1.871) 2.408 11.964 ( -3.160 0.000 6.872) 7.564 12.042 ( -5.292 0.000 -0.705) 5.338 12.106 ( -15.813 0.000 11.723) 19.685 12.366 ( -3.274 0.000 -5.951) 6.792 13.821 ( 10.394 0.000 -0.705) 10.418 14.046 ( 7.498 0.000 -0.204) 7.501 14.211 ( 5.423 0.000 -10.623) 11.927 14.403 ( 9.989 0.000 1.714) 10.135 21.960 ( 3.691 0.000 0.530) 3.729 22.111 ( 1.186 0.000 -5.974) 6.090 22.360 ( -4.127 0.000 1.633) 4.439 22.538 ( -3.822 0.000 -2.110) 4.365 22.551 ( -2.738 0.000 2.336) 3.599 22.977 ( -0.353 0.000 3.141) 3.160 23.061 ( 2.094 0.000 2.724) 3.436 23.354 ( -5.098 0.000 -5.070) 7.190 23.638 ( -2.302 0.000 0.877) 2.464 23.719 ( 1.639 0.000 -0.854) 1.848 23.932 ( 0.651 0.000 -0.129) 0.664 24.064 ( 2.065 0.000 3.313) 3.904 24.370 ( -3.798 0.000 1.893) 4.244 24.446 ( 2.465 0.000 2.828) 3.752 24.753 ( 6.267 0.000 -3.058) 6.973 25.963 ( 0.947 0.000 0.182) 0.965 ======================= Grid point 4 (5/128) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 9.794 0.000 3.905) 10.544 2.076 ( 4.161 0.000 10.443) 11.241 2.135 ( 2.104 0.000 1.047) 2.350 2.456 ( 0.005 0.000 -6.134) 6.134 2.515 ( 0.900 0.000 -0.954) 1.311 2.723 ( 2.655 0.000 4.460) 5.190 2.973 ( -3.453 0.000 -1.650) 3.827 3.101 ( -1.614 0.000 -8.950) 9.094 3.324 ( 1.436 0.000 0.573) 1.546 3.335 ( 11.548 0.000 2.317) 11.778 3.582 ( -3.321 0.000 4.580) 5.657 3.703 ( 1.681 0.000 -2.959) 3.403 3.793 ( -2.039 0.000 0.564) 2.116 3.933 ( -1.550 0.000 -3.094) 3.461 4.160 ( -2.526 0.000 -2.779) 3.755 4.519 ( -1.151 0.000 -1.626) 1.992 4.532 ( 7.085 0.000 3.848) 8.063 4.683 ( 4.591 0.000 4.774) 6.623 4.769 ( -2.941 0.000 4.404) 5.295 5.066 ( 15.006 0.000 -6.312) 16.279 5.141 ( 5.632 0.000 -1.695) 5.882 5.188 ( -8.750 0.000 8.104) 11.926 5.204 ( -3.280 0.000 3.219) 4.596 5.323 ( 2.852 0.000 2.214) 3.610 5.346 ( 6.855 0.000 3.772) 7.825 5.472 ( -0.634 0.000 -0.136) 0.648 5.877 ( -0.352 0.000 0.959) 1.022 6.058 ( -2.255 0.000 -1.941) 2.975 6.077 ( -0.661 0.000 -4.595) 4.642 6.358 ( -2.738 0.000 -4.512) 5.278 6.466 ( -6.975 0.000 -3.205) 7.676 6.494 ( -1.260 0.000 -2.837) 3.104 7.048 ( 4.675 0.000 10.005) 11.044 7.225 ( -1.078 0.000 -7.022) 7.105 7.262 ( 2.580 0.000 1.722) 3.101 8.141 ( 1.104 0.000 1.159) 1.601 8.415 ( -1.695 0.000 4.753) 5.046 8.777 ( -0.403 0.000 -3.756) 3.777 9.157 ( -0.381 0.000 -1.376) 1.428 9.333 ( -0.527 0.000 1.622) 1.706 10.080 ( 2.422 0.000 0.963) 2.607 10.211 ( -0.505 0.000 -0.598) 0.782 10.624 ( -1.346 0.000 -1.808) 2.254 10.970 ( -4.009 0.000 7.022) 8.086 11.037 ( -2.664 0.000 -2.800) 3.865 11.223 ( 0.367 0.000 -9.156) 9.164 11.270 ( -3.498 0.000 -1.260) 3.718 11.923 ( 6.089 0.000 -2.345) 6.525 11.956 ( -1.260 0.000 -0.337) 1.304 12.009 ( -10.194 0.000 6.966) 12.347 12.018 ( -1.889 0.000 4.006) 4.429 12.262 ( -1.210 0.000 -3.819) 4.007 13.942 ( 4.042 0.000 0.312) 4.054 14.128 ( 2.653 0.000 -0.145) 2.656 14.172 ( 1.036 0.000 -3.957) 4.091 14.531 ( 3.566 0.000 0.585) 3.614 22.015 ( 1.824 0.000 0.299) 1.849 22.079 ( 0.646 0.000 -2.092) 2.189 22.320 ( -2.074 0.000 0.796) 2.221 22.471 ( -1.778 0.000 -0.814) 1.956 22.544 ( -0.472 0.000 0.528) 0.708 23.016 ( 0.496 0.000 2.322) 2.375 23.105 ( 0.726 0.000 0.853) 1.120 23.227 ( -2.907 0.000 -3.279) 4.382 23.621 ( -0.772 0.000 0.427) 0.882 23.725 ( 0.367 0.000 -0.498) 0.619 23.939 ( 0.274 0.000 -0.029) 0.275 24.118 ( 0.926 0.000 1.295) 1.592 24.338 ( -1.592 0.000 0.564) 1.689 24.504 ( 1.115 0.000 1.243) 1.670 24.803 ( 2.445 0.000 -1.004) 2.643 25.976 ( 0.284 0.000 0.210) 0.353 ======================= Grid point 9 (6/128) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 0.000 22.304 0.000) 22.304 0.585 ( 0.000 29.315 0.000) 29.315 1.123 ( 0.000 53.645 0.000) 53.645 2.191 ( 0.000 5.529 0.000) 5.529 2.288 ( 0.000 -6.928 0.000) 6.928 2.405 ( 0.000 0.783 0.000) 0.783 2.683 ( 0.000 4.014 0.000) 4.014 2.706 ( 0.000 0.186 0.000) 0.186 2.975 ( 0.000 4.137 0.000) 4.137 3.202 ( 0.000 -5.522 0.000) 5.522 3.371 ( 0.000 -3.208 0.000) 3.208 3.546 ( 0.000 -1.942 0.000) 1.942 3.683 ( 0.000 0.809 0.000) 0.809 3.801 ( 0.000 -4.557 0.000) 4.557 3.915 ( 0.000 1.381 0.000) 1.381 3.936 ( 0.000 2.395 0.000) 2.395 4.264 ( 0.000 -2.859 0.000) 2.859 4.379 ( 0.000 -3.289 0.000) 3.289 4.439 ( 0.000 -2.160 0.000) 2.160 4.670 ( 0.000 2.394 0.000) 2.394 4.711 ( 0.000 8.774 0.000) 8.774 5.013 ( 0.000 0.531 0.000) 0.531 5.076 ( 0.000 -8.807 0.000) 8.807 5.421 ( 0.000 8.398 0.000) 8.398 5.487 ( 0.000 2.610 0.000) 2.610 5.836 ( 0.000 -1.933 0.000) 1.933 6.053 ( 0.000 -1.357 0.000) 1.357 6.112 ( 0.000 0.394 0.000) 0.394 6.373 ( 0.000 -0.793 0.000) 0.793 6.401 ( 0.000 5.442 0.000) 5.442 6.586 ( 0.000 -4.908 0.000) 4.908 6.685 ( 0.000 -11.567 0.000) 11.567 7.025 ( 0.000 -1.072 0.000) 1.072 7.192 ( 0.000 -0.656 0.000) 0.656 7.198 ( 0.000 0.183 0.000) 0.183 7.651 ( 0.000 -3.832 0.000) 3.832 8.420 ( 0.000 -1.945 0.000) 1.945 8.824 ( 0.000 -7.481 0.000) 7.481 9.298 ( 0.000 7.231 0.000) 7.231 9.400 ( 0.000 6.119 0.000) 6.119 10.263 ( 0.000 2.328 0.000) 2.328 10.807 ( 0.000 -0.246 0.000) 0.246 11.006 ( 0.000 0.674 0.000) 0.674 11.114 ( 0.000 4.491 0.000) 4.491 11.423 ( 0.000 -5.298 0.000) 5.298 11.647 ( 0.000 -4.075 0.000) 4.075 11.687 ( 0.000 -2.171 0.000) 2.171 11.966 ( 0.000 5.876 0.000) 5.876 12.174 ( 0.000 -2.727 0.000) 2.727 12.442 ( 0.000 0.704 0.000) 0.704 12.617 ( 0.000 -0.416 0.000) 0.416 12.960 ( 0.000 -2.706 0.000) 2.706 12.989 ( 0.000 0.278 0.000) 0.278 13.028 ( 0.000 0.899 0.000) 0.899 13.658 ( 0.000 1.556 0.000) 1.556 13.851 ( 0.000 -0.716 0.000) 0.716 22.206 ( 0.000 0.474 0.000) 0.474 22.398 ( 0.000 -1.479 0.000) 1.479 22.626 ( 0.000 0.816 0.000) 0.816 22.734 ( 0.000 1.117 0.000) 1.117 22.805 ( 0.000 2.843 0.000) 2.843 22.969 ( 0.000 5.319 0.000) 5.319 23.526 ( 0.000 -3.562 0.000) 3.562 23.557 ( 0.000 -6.826 0.000) 6.826 23.627 ( 0.000 1.774 0.000) 1.774 23.699 ( 0.000 -2.189 0.000) 2.189 23.942 ( 0.000 5.069 0.000) 5.069 24.189 ( 0.000 3.619 0.000) 3.619 24.282 ( 0.000 -2.468 0.000) 2.468 24.453 ( 0.000 0.223 0.000) 0.223 24.477 ( 0.000 1.166 0.000) 1.166 25.029 ( 0.000 -3.840 0.000) 3.840 ======================= Grid point 10 (7/128) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 10.968 18.927 19.563) 29.347 0.978 ( 24.114 20.064 11.689) 33.477 1.397 ( 28.398 34.771 10.217) 46.041 2.044 ( 5.300 2.683 -18.698) 19.619 2.440 ( 7.325 1.112 0.345) 7.417 2.541 ( 10.191 -0.541 3.123) 10.673 2.734 ( 10.485 4.710 -1.923) 11.654 2.855 ( 10.814 -1.543 8.558) 13.877 2.967 ( 3.089 1.884 -6.725) 7.636 3.212 ( -2.169 3.049 5.579) 6.718 3.341 ( 1.117 -5.099 0.373) 5.233 3.678 ( -1.198 2.236 1.799) 3.110 3.707 ( 1.512 -8.745 8.286) 12.142 3.812 ( 1.830 -1.786 1.859) 3.161 3.909 ( 0.048 -5.084 1.274) 5.242 3.986 ( 7.514 4.064 4.430) 9.623 4.357 ( 1.394 -11.535 4.953) 12.630 4.366 ( -2.862 -1.612 -0.688) 3.356 4.448 ( 1.698 -3.087 2.111) 4.107 4.657 ( -3.398 8.180 5.423) 10.386 4.812 ( 7.947 3.114 -0.015) 8.535 5.013 ( -4.058 -7.431 -2.173) 8.741 5.061 ( 0.388 -3.087 5.250) 6.103 5.318 ( -3.737 6.430 -4.899) 8.906 5.511 ( -1.536 5.168 3.483) 6.419 5.797 ( 0.188 -1.502 -2.824) 3.204 5.992 ( -3.111 1.488 -3.834) 5.157 6.134 ( -0.136 -0.047 -2.688) 2.692 6.247 ( -0.176 5.296 -0.273) 5.306 6.414 ( 1.056 0.108 0.797) 1.327 6.577 ( -0.838 -4.302 0.208) 4.388 6.953 ( 8.896 -13.885 -1.708) 16.579 7.012 ( 0.839 -3.354 -3.339) 4.806 7.120 ( -6.704 2.183 -1.163) 7.145 7.282 ( 9.669 -4.023 -6.066) 12.103 7.767 ( 7.431 -4.545 5.376) 10.236 8.405 ( -3.615 -1.585 2.973) 4.942 8.856 ( 0.789 -6.907 2.880) 7.525 9.287 ( -1.048 5.404 -0.473) 5.525 9.380 ( -1.342 5.895 -0.999) 6.128 10.255 ( -3.730 6.194 -1.805) 7.453 10.313 ( -9.622 25.102 -23.500) 35.706 10.843 ( -5.742 -1.185 3.400) 6.777 11.054 ( -8.472 3.318 7.567) 11.834 11.455 ( -0.398 -3.130 -5.965) 6.748 11.664 ( 0.881 -3.508 -1.387) 3.874 11.731 ( -7.170 -6.268 12.776) 15.935 11.831 ( -7.948 6.156 3.401) 10.613 12.044 ( -14.090 -2.405 2.236) 14.468 12.373 ( -7.603 1.045 -3.247) 8.334 12.561 ( -9.234 -2.023 1.905) 9.643 12.624 ( -21.847 0.903 4.204) 22.266 13.321 ( 20.772 -1.976 -2.870) 21.062 13.654 ( 34.190 -20.319 -4.399) 40.015 13.766 ( 14.777 -1.252 -1.864) 14.946 13.984 ( 16.665 -4.156 -5.195) 17.944 22.127 ( -5.545 6.751 -3.632) 9.461 22.395 ( -0.201 -1.734 -0.319) 1.774 22.453 ( 1.676 9.420 -27.264) 28.894 22.714 ( -12.741 3.743 7.626) 15.314 22.746 ( -4.958 3.955 0.638) 6.374 22.894 ( -8.111 4.598 3.081) 9.820 23.102 ( -6.469 15.283 2.500) 16.783 23.509 ( -1.698 -4.440 -1.011) 4.860 23.645 ( 3.288 0.389 2.945) 4.431 23.715 ( -2.940 -1.047 1.052) 3.293 23.948 ( 0.877 3.550 -0.009) 3.657 23.958 ( -2.713 4.988 1.505) 5.874 24.323 ( 0.407 -0.171 2.370) 2.410 24.441 ( -2.896 -0.468 2.634) 3.942 24.607 ( 6.779 -1.725 -5.361) 8.813 25.587 ( 19.315 -22.564 6.199) 30.342 ======================= Grid point 11 (8/128) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 14.488 16.040 14.726) 26.154 1.427 ( 12.221 21.351 18.330) 30.679 1.985 ( 12.244 5.774 -14.032) 19.498 2.099 ( 35.458 8.433 6.557) 37.032 2.506 ( 4.247 0.755 -2.743) 5.112 2.698 ( 3.186 0.741 3.465) 4.765 2.825 ( 3.262 5.539 -7.862) 10.156 3.029 ( 14.581 6.636 -2.587) 16.227 3.247 ( 1.030 3.626 5.897) 6.999 3.295 ( 18.119 0.479 3.603) 18.480 3.389 ( 4.381 -7.612 7.530) 11.569 3.619 ( -4.476 2.900 2.481) 5.882 3.808 ( -0.078 -4.242 1.117) 4.388 3.847 ( 1.830 1.822 1.137) 2.822 3.944 ( -0.274 -10.339 5.702) 11.810 4.294 ( 1.795 -1.174 1.315) 2.516 4.305 ( 10.573 -5.840 4.445) 12.871 4.435 ( 1.888 -12.943 5.410) 14.154 4.534 ( 2.771 -4.908 5.317) 7.748 4.687 ( 0.656 6.107 2.748) 6.729 4.904 ( 3.411 2.762 -2.240) 4.928 4.980 ( 1.037 -2.328 5.804) 6.339 5.120 ( -0.433 -3.091 4.452) 5.437 5.213 ( -0.409 3.651 -6.904) 7.820 5.502 ( -4.188 5.921 2.158) 7.567 5.742 ( -2.407 1.891 -4.111) 5.126 5.899 ( -1.633 4.465 -2.085) 5.192 6.112 ( 3.459 -0.574 -3.699) 5.097 6.241 ( -0.747 -0.372 -4.320) 4.400 6.462 ( 0.663 -2.932 3.351) 4.502 6.589 ( 1.360 -1.403 2.528) 3.195 6.892 ( -5.525 -0.957 -7.267) 9.179 6.946 ( -0.860 -5.785 -8.494) 10.313 7.096 ( 2.175 4.036 3.277) 5.636 7.294 ( 1.922 -0.392 -5.462) 5.804 7.938 ( 5.609 -3.538 4.479) 8.002 8.388 ( -5.095 -0.183 6.738) 8.450 8.885 ( 0.347 -3.061 -0.584) 3.135 9.250 ( -1.407 2.096 -2.419) 3.496 9.346 ( -2.358 4.346 0.967) 5.038 10.044 ( 0.080 15.382 -5.764) 16.426 10.265 ( 0.428 2.086 -1.183) 2.436 10.774 ( -1.891 -2.244 -4.745) 5.579 11.010 ( -10.491 3.825 11.805) 16.250 11.339 ( -2.595 -1.083 -7.952) 8.435 11.571 ( -3.324 -2.509 -16.175) 16.703 11.642 ( -9.220 -2.576 -1.531) 9.695 11.782 ( -4.061 -4.299 7.736) 9.738 11.944 ( -5.813 1.227 8.335) 10.235 12.179 ( -10.785 0.264 -1.805) 10.938 12.291 ( -22.043 0.388 9.513) 24.011 12.478 ( -4.519 -1.375 -3.736) 6.022 13.591 ( 15.494 -2.399 -1.968) 15.801 13.929 ( 11.770 2.622 0.379) 12.064 14.034 ( 18.218 -14.272 -9.709) 25.097 14.188 ( 13.847 -1.206 -1.833) 14.020 22.021 ( -1.399 8.409 -2.546) 8.897 22.238 ( 1.314 5.476 -12.988) 14.156 22.379 ( -1.875 -2.055 0.300) 2.798 22.608 ( -9.419 2.084 5.826) 11.269 22.661 ( -4.116 2.644 -1.801) 5.213 22.881 ( -0.648 -1.861 2.086) 2.870 23.134 ( 1.111 10.276 4.004) 11.085 23.442 ( -3.855 -3.448 -2.412) 5.707 23.665 ( -3.912 -1.110 1.107) 4.214 23.741 ( 4.099 4.208 0.776) 5.926 23.938 ( -0.023 1.174 -0.357) 1.227 24.001 ( 1.453 2.228 3.727) 4.579 24.361 ( -0.848 -1.242 3.287) 3.615 24.432 ( -1.550 2.224 3.601) 4.508 24.655 ( 7.694 -2.159 -6.166) 10.093 25.805 ( 5.977 -12.388 1.509) 13.837 ======================= Grid point 12 (9/128) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 15.387 17.018 7.864) 24.253 1.835 ( 8.664 10.898 19.375) 23.859 2.098 ( 12.728 8.196 -3.814) 15.612 2.451 ( 2.614 -0.539 -3.016) 4.028 2.648 ( 7.537 5.701 1.492) 9.568 2.745 ( 8.323 1.876 -3.787) 9.334 2.813 ( 4.667 0.502 0.470) 4.717 3.085 ( 0.182 2.342 -4.962) 5.490 3.272 ( -1.007 2.013 -6.569) 6.944 3.469 ( 9.409 7.463 4.870) 12.959 3.574 ( -3.324 2.242 3.314) 5.201 3.710 ( 5.183 -1.411 -0.856) 5.439 3.835 ( 0.838 1.220 2.754) 3.127 3.961 ( 8.328 -12.510 7.669) 16.872 3.988 ( -0.036 -0.493 1.714) 1.784 4.264 ( 4.127 0.858 -2.382) 4.842 4.477 ( 2.992 -11.569 0.814) 11.978 4.558 ( 0.523 -8.933 3.792) 9.718 4.669 ( 5.936 -4.065 4.614) 8.547 4.720 ( 3.239 -6.566 -0.437) 7.335 5.038 ( 8.183 2.850 7.551) 11.494 5.086 ( -2.383 0.580 3.071) 3.930 5.130 ( 2.630 1.012 0.977) 2.982 5.209 ( 4.942 1.605 3.858) 6.472 5.460 ( -0.545 4.174 1.406) 4.438 5.676 ( -1.099 10.884 -1.860) 11.097 5.863 ( -1.517 1.355 -1.036) 2.283 6.105 ( -2.166 -3.006 -3.885) 5.369 6.169 ( 2.295 1.901 -4.159) 5.117 6.454 ( -2.875 -2.338 -2.063) 4.242 6.599 ( -3.019 -0.258 -4.749) 5.633 6.755 ( -7.762 3.355 -8.274) 11.831 6.833 ( 3.004 -0.761 5.287) 6.128 7.193 ( 4.017 1.642 1.822) 4.706 7.262 ( 1.325 -0.513 -2.796) 3.137 8.061 ( 3.667 -2.465 3.146) 5.424 8.411 ( -3.891 2.300 9.543) 10.559 8.846 ( -0.942 -0.391 -4.888) 4.993 9.187 ( -1.357 -0.289 -3.476) 3.742 9.332 ( -2.235 1.735 2.775) 3.963 10.054 ( 3.536 6.478 -0.345) 7.388 10.252 ( 0.044 2.035 -1.581) 2.577 10.676 ( -2.339 -2.294 -4.827) 5.834 11.001 ( -7.893 4.425 11.769) 14.846 11.189 ( -4.585 1.052 -6.759) 8.235 11.288 ( -6.324 -6.651 -11.284) 14.545 11.469 ( -5.257 1.770 -8.201) 9.901 11.821 ( 1.491 -4.160 1.871) 4.799 11.971 ( -2.923 0.614 6.783) 7.412 12.017 ( -8.029 -1.490 1.764) 8.354 12.110 ( -13.917 -0.077 8.521) 16.319 12.350 ( -3.663 -1.653 -5.870) 7.113 13.783 ( 9.839 -2.907 -0.926) 10.301 14.095 ( 8.271 2.995 -1.702) 8.960 14.126 ( 7.753 -6.634 -6.820) 12.273 14.393 ( 9.942 -0.979 1.266) 10.070 22.012 ( 1.879 4.264 -0.599) 4.698 22.143 ( 1.104 3.424 -6.950) 7.825 22.341 ( -3.427 -1.918 0.951) 4.041 22.533 ( -4.244 0.221 0.215) 4.255 22.587 ( -3.054 2.617 -0.028) 4.022 22.898 ( -0.413 -4.178 2.170) 4.726 23.196 ( 1.462 9.483 2.232) 9.851 23.334 ( -4.639 -1.338 -3.063) 5.718 23.622 ( -2.780 -1.224 1.241) 3.281 23.784 ( 1.678 5.075 -1.138) 5.465 23.939 ( 0.471 0.626 -0.340) 0.855 24.076 ( 1.659 1.111 3.658) 4.167 24.354 ( -3.057 -1.332 1.979) 3.878 24.497 ( 1.950 4.225 5.076) 6.886 24.705 ( 6.320 -3.633 -5.321) 9.025 25.885 ( 2.455 -7.526 1.066) 7.988 ======================= Grid point 13 (10/128) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 11.007 17.258 4.213) 20.898 2.128 ( 3.173 5.881 9.497) 11.613 2.201 ( -0.636 7.539 -0.633) 7.592 2.438 ( 4.674 0.708 -2.194) 5.212 2.613 ( -3.263 5.174 -2.792) 6.725 2.827 ( 2.775 9.014 2.899) 9.867 2.981 ( 4.285 -3.507 -4.872) 7.376 3.012 ( -1.021 -4.594 3.506) 5.868 3.145 ( -2.023 4.069 -6.994) 8.341 3.539 ( -2.982 -3.523 2.954) 5.480 3.612 ( 3.158 -2.150 -0.559) 3.861 3.774 ( 4.605 10.244 0.742) 11.256 3.851 ( -1.427 9.838 -0.121) 9.941 3.963 ( -1.166 1.610 0.805) 2.145 4.041 ( -0.680 -9.007 -2.673) 9.419 4.422 ( 9.352 -7.713 0.547) 12.134 4.496 ( -1.234 -6.970 0.699) 7.113 4.586 ( -0.282 -9.882 1.574) 10.011 4.712 ( -0.573 -0.017 0.848) 1.023 4.829 ( 3.762 -18.046 1.717) 18.514 5.003 ( -1.820 -3.598 -3.553) 5.374 5.209 ( 5.032 6.089 2.380) 8.250 5.291 ( 0.648 2.200 7.635) 7.972 5.368 ( 6.239 3.199 4.078) 8.112 5.559 ( 6.094 6.772 4.006) 9.952 5.640 ( -0.662 13.664 -1.349) 13.747 5.824 ( -0.789 -1.852 -1.568) 2.551 6.024 ( -3.158 -2.622 0.341) 4.119 6.122 ( -2.933 3.036 -5.788) 7.164 6.358 ( -0.751 0.538 -2.650) 2.806 6.489 ( -3.768 0.627 -3.985) 5.520 6.561 ( -3.812 7.105 -2.352) 8.399 6.998 ( 3.547 -4.902 7.512) 9.646 7.180 ( -0.517 -3.855 -5.096) 6.411 7.314 ( 2.354 4.773 1.397) 5.502 8.129 ( 1.315 -1.994 1.135) 2.645 8.478 ( -1.030 5.686 6.717) 8.861 8.757 ( -1.182 -1.381 -4.931) 5.255 9.139 ( -0.534 -1.457 -1.429) 2.109 9.331 ( -0.980 -0.231 1.297) 1.642 10.106 ( 1.618 2.904 0.552) 3.369 10.235 ( -0.060 2.380 -0.883) 2.540 10.601 ( -1.307 -2.163 -1.839) 3.125 11.025 ( -3.608 5.226 7.246) 9.635 11.060 ( -2.592 2.206 -2.649) 4.313 11.130 ( -0.559 -6.859 -6.040) 9.157 11.315 ( -2.490 2.050 -4.555) 5.582 11.868 ( 2.921 -5.299 -0.883) 6.115 11.951 ( -1.988 -0.632 0.949) 2.292 11.983 ( -3.754 -0.626 2.066) 4.330 12.043 ( -4.429 0.622 6.674) 8.034 12.235 ( -1.533 -2.480 -4.552) 5.406 13.890 ( 3.548 -3.706 -0.038) 5.131 14.123 ( 2.170 -4.307 -3.291) 5.838 14.194 ( 2.734 4.864 0.016) 5.580 14.518 ( 3.565 -1.230 0.524) 3.808 22.049 ( 2.131 2.178 0.701) 3.127 22.092 ( -0.366 2.661 -3.025) 4.046 22.303 ( -1.712 -1.646 0.476) 2.422 22.480 ( -1.626 0.555 -0.446) 1.775 22.559 ( -0.785 1.438 0.130) 1.643 22.917 ( 0.015 -5.898 1.151) 6.009 23.225 ( -0.140 4.515 -0.614) 4.559 23.248 ( -1.559 5.706 -0.332) 5.925 23.603 ( -0.954 -1.421 0.559) 1.801 23.787 ( 0.361 4.876 -0.630) 4.930 23.941 ( 0.194 0.136 -0.205) 0.313 24.130 ( 0.791 1.051 1.423) 1.938 24.329 ( -1.418 -0.806 0.586) 1.733 24.580 ( 1.037 7.357 3.137) 8.065 24.728 ( 2.478 -6.910 -2.827) 7.866 25.919 ( 0.727 -5.612 0.441) 5.676 ======================= Grid point 18 (11/128) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 21.694 0.000) 21.694 1.158 ( 0.000 28.081 0.000) 28.081 1.936 ( 0.000 7.040 0.000) 7.040 2.184 ( 0.000 10.765 0.000) 10.765 2.313 ( 0.000 5.906 0.000) 5.906 2.455 ( 0.000 7.808 0.000) 7.808 2.617 ( 0.000 -8.098 0.000) 8.098 2.785 ( 0.000 5.603 0.000) 5.603 3.083 ( 0.000 6.370 0.000) 6.370 3.140 ( 0.000 -1.128 0.000) 1.128 3.356 ( 0.000 2.684 0.000) 2.684 3.440 ( 0.000 -4.466 0.000) 4.466 3.650 ( 0.000 -9.363 0.000) 9.363 3.653 ( 0.000 -4.619 0.000) 4.619 3.947 ( 0.000 -0.797 0.000) 0.797 4.049 ( 0.000 6.809 0.000) 6.809 4.308 ( 0.000 5.951 0.000) 5.951 4.337 ( 0.000 -3.100 0.000) 3.100 4.402 ( 0.000 0.322 0.000) 0.322 4.712 ( 0.000 2.299 0.000) 2.299 4.748 ( 0.000 -8.665 0.000) 8.665 4.893 ( 0.000 -0.727 0.000) 0.727 5.025 ( 0.000 -0.781 0.000) 0.781 5.550 ( 0.000 3.252 0.000) 3.252 5.665 ( 0.000 13.599 0.000) 13.599 5.804 ( 0.000 0.154 0.000) 0.154 6.060 ( 0.000 2.103 0.000) 2.103 6.112 ( 0.000 -1.333 0.000) 1.333 6.304 ( 0.000 -12.571 0.000) 12.571 6.397 ( 0.000 -8.696 0.000) 8.696 6.480 ( 0.000 1.507 0.000) 1.507 6.481 ( 0.000 -5.983 0.000) 5.983 7.014 ( 0.000 1.118 0.000) 1.118 7.194 ( 0.000 0.776 0.000) 0.776 7.199 ( 0.000 -0.212 0.000) 0.212 7.532 ( 0.000 -8.125 0.000) 8.125 8.389 ( 0.000 -0.571 0.000) 0.571 8.663 ( 0.000 -8.181 0.000) 8.181 9.450 ( 0.000 7.448 0.000) 7.448 9.537 ( 0.000 6.441 0.000) 6.441 10.343 ( 0.000 6.085 0.000) 6.085 10.786 ( 0.000 -2.327 0.000) 2.327 11.052 ( 0.000 3.799 0.000) 3.799 11.189 ( 0.000 2.495 0.000) 2.495 11.292 ( 0.000 -7.056 0.000) 7.056 11.531 ( 0.000 -7.340 0.000) 7.340 11.689 ( 0.000 2.933 0.000) 2.933 12.091 ( 0.000 -5.584 0.000) 5.584 12.097 ( 0.000 6.953 0.000) 6.953 12.435 ( 0.000 -2.062 0.000) 2.062 12.629 ( 0.000 2.200 0.000) 2.200 12.893 ( 0.000 -3.999 0.000) 3.999 13.000 ( 0.000 0.805 0.000) 0.805 13.039 ( 0.000 0.153 0.000) 0.153 13.699 ( 0.000 2.378 0.000) 2.378 13.830 ( 0.000 -1.448 0.000) 1.448 22.214 ( 0.000 0.484 0.000) 0.484 22.348 ( 0.000 -3.285 0.000) 3.285 22.678 ( 0.000 4.330 0.000) 4.330 22.797 ( 0.000 4.413 0.000) 4.413 22.859 ( 0.000 2.952 0.000) 2.952 23.082 ( 0.000 5.185 0.000) 5.185 23.390 ( 0.000 -8.814 0.000) 8.814 23.441 ( 0.000 -4.829 0.000) 4.829 23.657 ( 0.000 1.158 0.000) 1.158 23.678 ( 0.000 -0.451 0.000) 0.451 24.029 ( 0.000 3.760 0.000) 3.760 24.224 ( 0.000 -3.202 0.000) 3.202 24.280 ( 0.000 4.954 0.000) 4.954 24.448 ( 0.000 -0.823 0.000) 0.823 24.521 ( 0.000 3.457 0.000) 3.457 24.922 ( 0.000 -6.726 0.000) 6.726 ======================= Grid point 19 (12/128) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 13.549 17.322 14.139) 26.144 1.351 ( 19.975 20.997 6.997) 29.813 1.991 ( 9.160 -0.312 -6.238) 11.087 2.153 ( 7.084 19.384 -4.568) 21.137 2.458 ( 3.433 2.871 5.533) 7.116 2.597 ( 13.855 7.820 2.178) 16.058 2.737 ( 13.964 -3.136 6.071) 15.546 2.896 ( 8.574 5.986 2.775) 10.818 3.024 ( 4.143 3.759 -7.207) 9.124 3.223 ( 1.966 -1.747 1.828) 3.203 3.331 ( 2.127 3.769 0.453) 4.352 3.543 ( 2.360 -5.696 8.364) 10.391 3.608 ( -3.440 -6.674 2.718) 7.985 3.704 ( 4.039 -7.805 -0.888) 8.833 3.973 ( -3.615 6.099 -0.084) 7.091 4.029 ( 4.244 -0.447 1.788) 4.626 4.260 ( -0.547 1.537 -4.339) 4.636 4.369 ( -0.150 -2.440 -2.758) 3.686 4.385 ( -1.704 0.471 5.787) 6.051 4.716 ( -3.514 -1.973 4.477) 6.024 4.771 ( -0.875 -11.234 4.012) 11.961 4.897 ( -0.058 -0.700 -0.186) 0.727 5.040 ( 3.674 5.137 1.435) 6.477 5.488 ( -0.255 7.189 -8.614) 11.223 5.652 ( -4.213 8.868 6.001) 11.506 5.788 ( 1.244 1.391 -3.526) 3.989 6.040 ( -0.124 1.973 0.060) 1.978 6.121 ( 0.619 -0.459 -3.661) 3.741 6.278 ( -1.811 -2.891 -0.883) 3.524 6.397 ( -2.034 -2.383 0.705) 3.211 6.485 ( -0.828 -3.804 2.252) 4.497 6.610 ( 10.488 -15.984 1.237) 19.158 7.035 ( 0.700 2.291 -1.053) 2.617 7.174 ( -2.746 3.314 1.593) 4.589 7.206 ( 6.621 -3.273 -5.585) 9.260 7.640 ( 6.717 -8.354 5.652) 12.118 8.385 ( -2.612 0.212 3.527) 4.394 8.697 ( 0.826 -8.314 4.114) 9.313 9.419 ( -2.584 6.902 -1.486) 7.518 9.512 ( -1.780 6.038 -1.534) 6.479 10.340 ( 0.297 5.855 -0.951) 5.939 10.699 ( -2.692 10.524 -20.092) 22.840 10.813 ( -7.611 0.151 -4.658) 8.924 11.127 ( -6.282 2.645 4.810) 8.342 11.394 ( 2.622 -2.679 -2.127) 4.310 11.556 ( 0.381 -7.310 2.830) 7.848 11.619 ( -9.719 -2.627 6.343) 11.899 11.911 ( -10.670 -2.445 -9.839) 14.718 12.031 ( -11.285 4.898 9.906) 15.795 12.387 ( -4.543 -0.739 -3.982) 6.086 12.522 ( -14.716 -0.927 5.461) 15.724 12.630 ( -20.760 -0.475 4.195) 21.185 13.277 ( 20.600 -2.134 -3.261) 20.965 13.352 ( 30.367 -8.578 -3.133) 31.710 13.806 ( 11.471 2.720 -0.504) 11.800 13.943 ( 12.554 -1.597 -0.886) 12.686 22.189 ( -0.979 1.609 -2.654) 3.254 22.342 ( -0.381 -3.353 -0.475) 3.408 22.570 ( -2.565 5.033 -11.588) 12.891 22.755 ( -4.403 1.323 -2.476) 5.221 22.848 ( -1.328 4.959 -0.414) 5.151 22.993 ( -9.958 4.181 -2.563) 11.100 23.287 ( -2.984 1.626 -0.250) 3.407 23.462 ( -1.251 -0.296 -1.245) 1.790 23.630 ( -0.724 -0.573 7.031) 7.091 23.705 ( -1.368 -0.288 2.997) 3.307 24.003 ( -1.822 2.891 -0.817) 3.514 24.077 ( -6.591 4.143 1.659) 7.960 24.323 ( -0.856 0.463 3.039) 3.191 24.445 ( -2.749 0.123 4.501) 5.275 24.591 ( 10.228 1.903 -8.131) 13.205 25.214 ( 17.889 -15.338 7.332) 24.679 ======================= Grid point 20 (13/128) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 8.694 14.514 16.551) 23.668 1.815 ( 19.451 13.659 6.478) 24.634 2.079 ( 14.199 3.049 -7.548) 16.367 2.337 ( 15.682 9.595 -1.364) 18.435 2.541 ( 3.940 4.409 1.735) 6.163 2.803 ( 2.534 9.574 0.871) 9.942 2.943 ( 9.151 6.608 -4.601) 12.189 3.145 ( 7.550 3.782 -3.094) 8.993 3.189 ( 19.709 -2.179 10.608) 22.488 3.323 ( 8.694 -1.419 4.518) 9.900 3.386 ( 2.502 4.085 -0.294) 4.799 3.553 ( 0.018 -10.726 -1.438) 10.822 3.701 ( 1.702 -2.231 2.580) 3.812 3.816 ( 4.318 -4.314 12.593) 13.994 3.917 ( 0.132 5.104 1.436) 5.304 4.182 ( 6.215 -3.733 1.097) 7.332 4.209 ( 1.623 -5.580 -0.615) 5.843 4.317 ( -0.629 -0.668 -3.584) 3.699 4.441 ( -1.004 -4.044 5.191) 6.657 4.680 ( -2.953 -5.767 0.615) 6.509 4.838 ( 1.306 -5.901 8.080) 10.090 4.952 ( 3.678 -6.229 5.222) 8.922 5.152 ( 5.791 10.575 2.162) 12.250 5.364 ( -1.301 8.555 -10.210) 13.384 5.631 ( -6.784 7.545 2.523) 10.455 5.766 ( 2.159 0.423 -2.696) 3.480 6.045 ( -1.671 0.996 -5.246) 5.595 6.086 ( 4.672 5.219 0.095) 7.005 6.190 ( -5.103 -3.974 -2.403) 6.900 6.414 ( 0.654 -2.449 2.165) 3.333 6.526 ( 1.767 -4.213 3.353) 5.667 6.739 ( 4.548 -9.960 -0.920) 10.988 6.961 ( -3.406 3.002 -4.861) 6.652 7.183 ( 1.550 1.366 -1.381) 2.485 7.258 ( 4.227 0.733 -1.037) 4.413 7.820 ( 6.411 -8.494 4.713) 11.639 8.403 ( -2.985 2.235 7.561) 8.430 8.770 ( 0.781 -7.381 4.620) 8.743 9.335 ( -4.121 5.406 -3.085) 7.465 9.447 ( -3.739 4.622 -1.208) 6.066 10.327 ( -0.776 6.268 -1.156) 6.421 10.394 ( -2.961 16.593 -14.217) 22.050 10.710 ( -1.552 -4.186 -5.663) 7.211 11.092 ( -6.548 2.641 7.363) 10.201 11.304 ( -4.874 -1.503 -6.216) 8.041 11.502 ( -7.694 -3.674 -11.390) 14.228 11.570 ( -1.694 -4.453 -1.382) 4.961 11.671 ( -7.214 -6.731 6.520) 11.827 11.994 ( -6.494 4.024 7.339) 10.594 12.207 ( -11.477 2.355 -2.116) 11.905 12.282 ( -20.846 -1.553 8.282) 22.485 12.433 ( -6.473 -3.174 -2.689) 7.694 13.546 ( 15.627 -1.814 -2.110) 15.873 13.745 ( 21.484 -11.633 -4.883) 24.914 14.006 ( 12.580 3.589 -0.511) 13.092 14.163 ( 13.757 -1.499 -0.230) 13.840 22.131 ( -0.896 3.416 -3.521) 4.987 22.323 ( -1.349 -3.414 -0.448) 3.698 22.376 ( -1.561 7.167 -12.195) 14.231 22.636 ( -5.544 0.006 -2.358) 6.024 22.750 ( -7.786 5.654 -0.048) 9.622 22.869 ( -3.272 0.152 0.215) 3.282 23.316 ( 1.717 5.753 3.084) 6.750 23.404 ( -3.626 1.108 -0.852) 3.886 23.642 ( -4.871 -0.531 3.762) 6.178 23.802 ( 5.441 1.298 3.222) 6.455 23.968 ( -1.292 1.786 -0.399) 2.240 24.046 ( -1.451 1.550 2.973) 3.654 24.330 ( -1.547 -1.528 1.878) 2.874 24.451 ( -2.433 -2.460 3.722) 5.082 24.680 ( 10.168 7.332 -5.307) 13.613 25.518 ( 10.419 -15.430 4.230) 19.092 ======================= Grid point 21 (14/128) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 9.017 9.463 14.204) 19.303 2.112 ( 12.338 9.427 3.271) 15.868 2.279 ( 11.780 10.392 0.289) 15.711 2.497 ( 3.511 4.315 0.010) 5.563 2.689 ( 11.450 2.009 -0.632) 11.642 2.778 ( 1.630 6.529 -4.303) 7.988 3.067 ( 2.517 16.578 2.586) 16.966 3.112 ( 1.243 0.052 -7.403) 7.507 3.326 ( -2.551 2.388 -0.748) 3.574 3.474 ( 0.852 -3.150 2.228) 3.952 3.502 ( 3.995 -7.021 -3.550) 8.824 3.599 ( 4.246 -14.354 3.307) 15.330 3.829 ( 6.600 3.822 5.244) 9.256 3.937 ( 3.633 3.930 4.487) 6.984 4.110 ( 7.356 11.772 5.471) 14.920 4.211 ( 5.553 -12.082 -0.513) 13.307 4.260 ( -1.576 -3.240 -1.514) 3.908 4.347 ( 5.578 -9.723 3.182) 11.652 4.456 ( 2.386 -7.022 -2.591) 7.856 4.689 ( 0.792 -3.112 3.194) 4.529 5.022 ( 5.521 -4.703 11.594) 13.676 5.123 ( 6.185 -3.261 2.959) 7.592 5.215 ( -2.678 8.213 -1.425) 8.755 5.283 ( 6.814 8.639 2.970) 11.397 5.533 ( -2.756 3.500 -1.653) 4.752 5.767 ( 1.176 -1.635 -5.274) 5.645 5.966 ( -1.219 1.544 -1.465) 2.452 6.070 ( -5.257 5.268 1.935) 7.689 6.201 ( 4.945 1.724 -1.492) 5.445 6.427 ( -0.470 -0.389 -1.214) 1.359 6.565 ( 0.057 -2.507 -1.677) 3.017 6.786 ( 2.434 -4.389 2.370) 5.550 6.836 ( -5.262 4.470 -4.380) 8.176 7.141 ( -0.641 -4.936 -4.926) 7.003 7.347 ( 4.456 7.157 2.912) 8.920 7.955 ( 4.327 -8.426 2.911) 9.909 8.475 ( -1.458 4.349 10.505) 11.463 8.807 ( -0.860 -3.741 0.752) 3.912 9.216 ( -4.184 3.203 -4.525) 6.946 9.371 ( -4.425 1.515 0.179) 4.680 10.242 ( -1.229 12.254 -3.883) 12.913 10.319 ( 1.518 4.756 -3.727) 6.230 10.615 ( -1.843 -3.767 -4.936) 6.477 11.076 ( -1.598 -5.786 -3.722) 7.063 11.140 ( -8.920 2.400 3.970) 10.055 11.244 ( -6.579 1.968 -6.650) 9.559 11.474 ( -3.642 -1.035 -6.289) 7.341 11.698 ( 0.662 -7.784 2.627) 8.242 11.981 ( -6.597 0.515 6.674) 9.398 12.026 ( -7.090 2.567 1.700) 7.729 12.095 ( -12.542 -1.449 5.636) 13.827 12.297 ( -4.158 -3.694 -5.488) 7.814 13.734 ( 9.739 -1.585 -1.424) 9.969 13.944 ( 10.808 -8.854 -4.961) 14.826 14.188 ( 9.034 4.324 0.196) 10.017 14.365 ( 9.852 -1.777 0.591) 10.028 22.089 ( 0.437 3.303 -2.585) 4.217 22.250 ( -0.010 6.762 -6.684) 9.508 22.289 ( -2.248 -3.081 -0.102) 3.815 22.533 ( -3.451 -0.835 -1.996) 4.073 22.648 ( -4.506 3.482 -0.140) 5.696 22.830 ( -2.136 -2.803 0.494) 3.559 23.323 ( -4.053 0.749 -0.081) 4.122 23.386 ( 2.049 7.732 1.357) 8.113 23.610 ( -3.440 1.536 2.793) 4.690 23.873 ( 1.978 3.201 -1.373) 4.006 23.952 ( -0.149 0.578 -0.654) 0.886 24.095 ( 0.712 0.136 4.970) 5.023 24.322 ( -1.917 -1.745 1.593) 3.042 24.469 ( 0.459 -7.722 2.224) 8.049 24.777 ( 6.870 12.169 -2.609) 14.216 25.682 ( 5.179 -12.478 2.389) 13.720 ======================= Grid point 22 (15/128) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 5.648 5.104 6.364) 9.922 2.318 ( 3.605 8.885 3.219) 10.115 2.431 ( 7.946 9.090 2.111) 12.256 2.511 ( 0.543 9.548 0.654) 9.586 2.675 ( -4.953 3.025 -7.207) 9.253 2.861 ( 5.757 0.625 0.173) 5.793 3.034 ( 0.442 3.303 -3.034) 4.507 3.141 ( -0.345 14.766 3.912) 15.279 3.266 ( -0.277 7.112 -3.568) 7.962 3.463 ( -2.229 -4.231 0.240) 4.788 3.514 ( 1.693 -5.440 -0.286) 5.705 3.633 ( -1.742 -15.920 1.094) 16.052 3.911 ( 0.583 0.243 1.943) 2.043 4.022 ( 1.478 3.409 -2.000) 4.220 4.189 ( 3.445 3.181 -1.895) 5.058 4.265 ( 0.559 -8.854 3.210) 9.434 4.294 ( 0.944 -8.544 0.285) 8.601 4.457 ( 0.835 3.725 4.794) 6.128 4.499 ( 6.295 -10.117 -4.476) 12.728 4.736 ( 0.791 -0.717 1.143) 1.564 5.043 ( -1.876 6.124 -2.858) 7.014 5.253 ( 1.633 -4.618 9.376) 10.578 5.305 ( 2.316 1.510 -1.252) 3.035 5.454 ( 5.837 5.479 4.801) 9.335 5.597 ( 5.913 -0.939 5.267) 7.974 5.698 ( 1.831 -5.925 -5.676) 8.407 5.974 ( 0.935 4.620 1.577) 4.970 6.016 ( -4.221 10.305 1.965) 11.308 6.153 ( -4.779 -0.180 -6.366) 7.962 6.412 ( 2.091 5.326 -0.687) 5.763 6.513 ( -2.341 1.570 -2.804) 3.976 6.701 ( -3.430 5.622 -1.968) 6.873 6.876 ( 1.818 -6.398 3.351) 7.448 7.082 ( -0.368 -5.981 -2.774) 6.603 7.437 ( 2.235 7.342 1.436) 7.808 8.028 ( 1.571 -8.350 1.033) 8.559 8.599 ( 0.992 5.584 9.825) 11.344 8.749 ( -2.424 0.631 -5.350) 5.908 9.120 ( -1.636 0.208 -2.138) 2.700 9.316 ( -2.110 -1.531 0.234) 2.617 10.212 ( 0.068 8.199 -0.682) 8.227 10.304 ( 0.517 4.399 -1.463) 4.665 10.545 ( -1.122 -3.320 -1.877) 3.975 10.959 ( -1.245 -10.405 -4.350) 11.346 11.121 ( -2.218 3.764 -2.171) 4.879 11.161 ( -1.732 7.700 7.100) 10.616 11.336 ( -2.530 0.165 -5.896) 6.418 11.730 ( 0.840 -8.197 0.299) 8.245 11.938 ( -2.854 -0.357 3.296) 4.374 11.977 ( -2.866 -0.240 -1.764) 3.374 12.043 ( -2.973 -0.282 7.457) 8.033 12.173 ( -1.865 -3.527 -5.620) 6.892 13.831 ( 3.321 -1.773 -0.475) 3.794 14.013 ( 3.210 -6.225 -1.975) 7.277 14.293 ( 3.207 4.680 0.119) 5.674 14.484 ( 3.542 -2.100 0.329) 4.131 22.080 ( 0.758 1.852 -0.936) 2.209 22.199 ( -0.136 6.821 -1.980) 7.104 22.257 ( -1.087 -2.846 -0.045) 3.047 22.478 ( -1.127 -1.043 -0.799) 1.731 22.597 ( -1.447 2.383 -0.148) 2.792 22.810 ( -0.780 -4.826 0.153) 4.891 23.270 ( -1.780 2.745 -0.088) 3.273 23.422 ( 0.695 6.367 0.527) 6.426 23.597 ( -1.065 3.568 1.048) 3.869 23.873 ( 0.324 3.257 -0.735) 3.354 23.942 ( -0.030 -0.078 -0.544) 0.550 24.151 ( 0.513 0.667 1.933) 2.109 24.309 ( -1.027 -1.153 0.590) 1.653 24.507 ( 0.921 -12.225 1.090) 12.308 24.833 ( 2.342 15.228 -0.893) 15.433 25.756 ( 1.607 -10.750 0.825) 10.900 ======================= Grid point 27 (16/128) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 20.569 0.000) 20.569 1.685 ( 0.000 24.490 0.000) 24.490 1.692 ( 0.000 -17.968 0.000) 17.968 2.108 ( 0.000 -16.979 0.000) 16.979 2.411 ( 0.000 4.035 0.000) 4.035 2.485 ( 0.000 -3.954 0.000) 3.954 2.889 ( 0.000 15.229 0.000) 15.229 2.894 ( 0.000 5.255 0.000) 5.255 3.130 ( 0.000 3.718 0.000) 3.718 3.206 ( 0.000 4.255 0.000) 4.255 3.369 ( 0.000 -3.414 0.000) 3.414 3.385 ( 0.000 -3.105 0.000) 3.105 3.543 ( 0.000 0.563 0.000) 0.563 3.582 ( 0.000 -2.620 0.000) 2.620 3.974 ( 0.000 5.253 0.000) 5.253 4.073 ( 0.000 -2.423 0.000) 2.423 4.258 ( 0.000 -2.506 0.000) 2.506 4.334 ( 0.000 -6.812 0.000) 6.812 4.442 ( 0.000 2.628 0.000) 2.628 4.517 ( 0.000 -7.279 0.000) 7.279 4.780 ( 0.000 4.733 0.000) 4.733 4.886 ( 0.000 -4.957 0.000) 4.957 5.221 ( 0.000 21.548 0.000) 21.548 5.569 ( 0.000 -5.115 0.000) 5.115 5.750 ( 0.000 -0.122 0.000) 0.122 5.868 ( 0.000 -17.542 0.000) 17.542 5.973 ( 0.000 10.384 0.000) 10.384 6.113 ( 0.000 -4.510 0.000) 4.510 6.144 ( 0.000 6.609 0.000) 6.609 6.288 ( 0.000 -6.392 0.000) 6.392 6.417 ( 0.000 0.005 0.000) 0.005 6.457 ( 0.000 -2.869 0.000) 2.869 7.096 ( 0.000 6.362 0.000) 6.362 7.183 ( 0.000 -1.764 0.000) 1.764 7.222 ( 0.000 2.524 0.000) 2.524 7.345 ( 0.000 -9.562 0.000) 9.562 8.414 ( 0.000 3.233 0.000) 3.233 8.513 ( 0.000 -6.574 0.000) 6.574 9.575 ( 0.000 4.632 0.000) 4.632 9.615 ( 0.000 0.945 0.000) 0.945 10.505 ( 0.000 9.710 0.000) 9.710 10.690 ( 0.000 -7.682 0.000) 7.682 11.132 ( 0.000 2.968 0.000) 2.968 11.181 ( 0.000 -3.525 0.000) 3.525 11.238 ( 0.000 4.228 0.000) 4.228 11.372 ( 0.000 -8.154 0.000) 8.154 11.799 ( 0.000 7.491 0.000) 7.491 11.956 ( 0.000 -7.723 0.000) 7.723 12.235 ( 0.000 6.764 0.000) 6.764 12.358 ( 0.000 -5.365 0.000) 5.365 12.703 ( 0.000 4.781 0.000) 4.781 12.803 ( 0.000 -4.987 0.000) 4.987 13.018 ( 0.000 0.981 0.000) 0.981 13.035 ( 0.000 -0.579 0.000) 0.579 13.748 ( 0.000 2.477 0.000) 2.477 13.794 ( 0.000 -2.100 0.000) 2.100 22.234 ( 0.000 1.636 0.000) 1.636 22.281 ( 0.000 -3.081 0.000) 3.081 22.775 ( 0.000 4.581 0.000) 4.581 22.835 ( 0.000 -1.016 0.000) 1.016 22.969 ( 0.000 7.756 0.000) 7.756 23.114 ( 0.000 -4.503 0.000) 4.503 23.275 ( 0.000 0.060 0.000) 0.060 23.342 ( 0.000 -4.824 0.000) 4.824 23.672 ( 0.000 0.346 0.000) 0.346 23.674 ( 0.000 -0.058 0.000) 0.058 24.097 ( 0.000 3.219 0.000) 3.219 24.160 ( 0.000 -3.191 0.000) 3.191 24.366 ( 0.000 3.468 0.000) 3.468 24.419 ( 0.000 -2.046 0.000) 2.046 24.623 ( 0.000 6.717 0.000) 6.717 24.773 ( 0.000 -7.923 0.000) 7.923 ======================= Grid point 28 (17/128) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 14.559 15.248 6.596) 22.089 1.740 ( 7.717 6.369 1.374) 10.100 1.857 ( 12.593 1.509 4.373) 13.416 2.146 ( 4.011 -12.937 3.847) 14.080 2.561 ( 10.469 4.326 1.047) 11.375 2.631 ( 17.915 -2.776 1.296) 18.175 2.939 ( 8.486 9.101 0.782) 12.468 2.992 ( 7.378 1.930 -0.173) 7.629 3.130 ( 5.311 8.393 -4.258) 10.807 3.216 ( 2.864 1.192 -2.508) 3.989 3.362 ( 1.644 1.202 0.760) 2.174 3.485 ( 0.974 -5.400 9.801) 11.232 3.526 ( -2.779 1.730 1.696) 3.687 3.586 ( -0.927 -3.832 3.654) 5.375 4.018 ( 3.418 2.736 -0.093) 4.380 4.070 ( -0.523 2.464 1.316) 2.842 4.221 ( 1.347 -3.667 -7.021) 8.035 4.302 ( 1.082 -6.302 -5.051) 8.149 4.454 ( -3.585 4.173 6.070) 8.192 4.539 ( -3.734 -6.709 7.984) 11.077 4.710 ( -3.902 1.647 -0.162) 4.238 4.806 ( -4.683 -6.415 -2.416) 8.302 5.310 ( 5.927 17.654 1.533) 18.685 5.544 ( 0.529 -2.937 -4.182) 5.138 5.754 ( 1.687 3.501 0.585) 3.930 5.911 ( 2.051 -3.463 -6.493) 7.639 5.939 ( -1.648 1.378 1.938) 2.893 6.126 ( -0.635 -9.900 -0.214) 9.923 6.203 ( 4.391 7.370 1.553) 8.718 6.353 ( 4.845 -5.455 4.091) 8.365 6.390 ( -1.528 -1.600 0.854) 2.371 6.433 ( -2.667 -3.181 1.502) 4.414 7.094 ( 0.563 3.275 -3.671) 4.951 7.152 ( 2.505 -2.543 -6.038) 7.014 7.269 ( 2.746 6.871 4.426) 8.622 7.447 ( 5.776 -10.308 5.630) 13.088 8.428 ( -1.137 4.102 4.196) 5.977 8.541 ( 0.136 -7.066 4.421) 8.336 9.538 ( -2.960 4.611 -1.853) 5.784 9.582 ( -2.669 0.602 -1.680) 3.210 10.493 ( 0.338 9.047 -2.397) 9.365 10.666 ( -0.187 -7.315 -3.661) 8.182 10.965 ( -4.381 9.219 -13.171) 16.663 11.110 ( -1.965 -4.598 -4.569) 6.774 11.361 ( 3.987 0.074 3.676) 5.423 11.418 ( 1.264 -5.538 3.859) 6.867 11.656 ( -14.526 5.722 0.395) 15.617 11.796 ( -14.374 -7.300 -3.723) 16.546 12.174 ( -6.575 7.675 2.440) 10.397 12.314 ( -3.744 -6.008 -1.337) 7.204 12.548 ( -18.659 2.745 5.175) 19.557 12.602 ( -19.822 -2.305 4.465) 20.449 13.246 ( 21.266 -0.711 -3.655) 21.590 13.257 ( 22.681 -2.061 -2.963) 22.967 13.860 ( 11.970 2.612 -0.438) 12.260 13.907 ( 12.211 -2.109 -0.484) 12.401 22.222 ( -0.014 2.033 -1.939) 2.809 22.274 ( -0.122 -3.204 -1.050) 3.373 22.675 ( -4.175 5.117 -7.813) 10.230 22.751 ( -4.427 -2.058 -5.677) 7.487 22.944 ( -2.713 4.570 -1.303) 5.472 23.017 ( -7.008 -2.065 -3.831) 8.249 23.315 ( 2.435 3.564 2.970) 5.239 23.411 ( 3.772 -4.824 0.681) 6.161 23.654 ( -3.736 2.197 5.996) 7.398 23.691 ( -1.754 -1.282 4.626) 5.110 24.060 ( -3.439 2.645 0.124) 4.341 24.100 ( -5.355 -1.101 1.091) 5.574 24.351 ( -1.832 2.358 0.321) 3.003 24.409 ( -2.370 -3.070 1.125) 4.038 24.722 ( 11.274 9.927 -1.267) 15.075 24.945 ( 13.576 -12.259 3.982) 18.720 ======================= Grid point 29 (18/128) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 7.802 10.035 9.588) 15.922 1.930 ( 11.189 -2.694 1.659) 11.627 2.178 ( 18.679 8.653 4.112) 20.992 2.338 ( 11.876 -5.824 3.556) 13.696 2.719 ( 8.860 10.808 -1.223) 14.029 2.909 ( 9.851 -4.953 -3.201) 11.482 3.025 ( 7.275 6.074 -4.983) 10.708 3.188 ( 7.291 -7.835 0.502) 10.714 3.230 ( 9.121 2.429 -0.024) 9.439 3.266 ( 6.729 -0.242 -0.382) 6.744 3.418 ( 5.020 7.852 -1.291) 9.409 3.502 ( 0.077 3.708 1.308) 3.932 3.639 ( 2.906 -3.302 8.876) 9.906 3.713 ( 2.987 -7.332 16.061) 17.906 4.027 ( 2.140 6.038 -1.008) 6.485 4.136 ( 2.735 -0.453 2.673) 3.852 4.186 ( 4.285 -1.664 -4.600) 6.503 4.258 ( 1.174 -3.694 -5.313) 6.577 4.455 ( -2.972 5.711 3.676) 7.414 4.563 ( -3.298 -4.695 5.999) 8.301 4.734 ( 1.928 -3.076 6.937) 7.830 4.792 ( 3.851 -8.001 3.972) 9.727 5.390 ( 3.313 10.423 -0.995) 10.982 5.482 ( -0.176 1.685 -7.023) 7.225 5.769 ( -1.722 3.185 -9.141) 9.832 5.800 ( -2.038 4.732 -1.296) 5.313 5.943 ( -0.141 -3.000 -0.805) 3.110 6.069 ( -2.912 -8.829 1.396) 9.401 6.298 ( 4.026 10.478 0.508) 11.237 6.382 ( 0.231 0.439 3.373) 3.410 6.453 ( 0.980 -2.918 4.425) 5.390 6.536 ( 7.040 -10.023 3.539) 12.750 7.028 ( -1.350 3.771 -5.247) 6.601 7.113 ( 0.888 -4.698 -5.851) 7.556 7.395 ( 5.089 9.869 4.215) 11.877 7.614 ( 6.064 -11.471 4.561) 13.754 8.484 ( -0.834 5.734 7.809) 9.724 8.619 ( 0.488 -7.511 6.950) 10.245 9.439 ( -5.389 4.520 -2.955) 7.629 9.492 ( -5.119 -0.400 -2.291) 5.623 10.461 ( 0.611 7.405 -4.055) 8.464 10.602 ( -0.468 -6.162 -5.586) 8.330 10.730 ( -4.597 15.702 -12.548) 20.619 11.006 ( -2.472 -10.901 -7.493) 13.457 11.359 ( -8.837 6.307 0.884) 10.893 11.461 ( -6.138 -0.397 -5.853) 8.490 11.481 ( 2.218 -4.043 -0.351) 4.625 11.531 ( -12.291 -6.577 7.413) 15.788 12.096 ( -8.415 5.881 4.754) 11.314 12.205 ( -10.133 -4.348 2.030) 11.212 12.283 ( -17.087 3.350 2.544) 17.597 12.359 ( -11.081 -3.985 -0.851) 11.806 13.531 ( 16.967 0.595 -2.504) 17.161 13.582 ( 19.365 -4.995 -3.198) 20.253 14.073 ( 13.255 3.038 -0.259) 13.601 14.126 ( 13.597 -2.255 -0.214) 13.784 22.189 ( -0.126 2.852 -3.001) 4.142 22.252 ( -0.555 -3.470 -1.622) 3.870 22.507 ( -3.196 5.908 -8.458) 10.801 22.602 ( -3.874 -3.396 -6.310) 8.146 22.841 ( -7.240 2.927 -1.813) 8.017 22.870 ( -5.617 -0.353 -1.159) 5.746 23.376 ( -0.438 2.909 2.587) 3.917 23.431 ( -0.457 -1.347 -0.078) 1.425 23.686 ( -1.730 5.020 6.581) 8.456 23.782 ( 4.185 -3.367 5.789) 7.897 24.007 ( -2.705 2.118 -0.296) 3.448 24.046 ( -3.139 -1.423 1.517) 3.765 24.320 ( -1.729 0.950 -0.217) 1.985 24.371 ( -2.607 -4.004 -0.043) 4.778 24.912 ( 10.953 14.262 0.860) 18.003 25.210 ( 11.552 -15.370 3.765) 19.592 ======================= Grid point 30 (19/128) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 6.898 6.280 10.238) 13.850 2.137 ( 9.551 -3.573 4.418) 11.114 2.487 ( 11.631 7.983 2.207) 14.279 2.560 ( 9.772 0.551 1.762) 9.945 2.838 ( 8.450 11.403 -1.865) 14.315 2.912 ( 1.813 6.705 -7.217) 10.017 3.057 ( 3.537 -4.432 -6.904) 8.934 3.197 ( -0.145 -16.598 -1.583) 16.674 3.323 ( 2.466 2.954 2.475) 4.575 3.376 ( 1.461 0.165 3.243) 3.560 3.458 ( 1.115 7.349 -0.879) 7.485 3.538 ( 1.718 0.608 -1.280) 2.227 3.840 ( 5.178 -0.169 7.951) 9.490 3.919 ( 0.747 -6.060 9.621) 11.395 4.084 ( 3.636 0.969 -2.535) 4.537 4.160 ( -1.459 -4.711 -0.617) 4.970 4.229 ( 1.850 -0.854 -1.711) 2.661 4.252 ( 6.888 -1.208 -3.527) 7.832 4.528 ( 8.877 10.038 3.480) 13.845 4.629 ( 3.032 -2.025 5.944) 6.973 4.922 ( 6.556 -2.646 10.895) 12.988 4.999 ( 9.386 -7.954 8.589) 15.005 5.377 ( -2.374 7.455 -3.645) 8.631 5.434 ( 4.375 3.347 -0.856) 5.575 5.592 ( -5.550 2.456 -5.870) 8.443 5.672 ( -3.034 -6.107 -10.572) 12.580 5.987 ( 0.942 4.035 4.692) 6.259 6.096 ( 1.618 -4.853 1.910) 5.461 6.324 ( -0.368 8.981 -0.359) 8.996 6.457 ( 2.841 -1.103 1.741) 3.510 6.522 ( 2.235 2.316 1.869) 3.722 6.661 ( 3.938 -7.733 2.178) 8.947 6.927 ( -3.837 4.787 -4.283) 7.482 7.032 ( -2.163 -5.668 -5.270) 8.036 7.521 ( 4.614 10.264 2.977) 11.641 7.745 ( 4.472 -11.755 2.703) 12.864 8.582 ( 0.026 6.149 9.161) 11.033 8.706 ( 0.133 -6.012 5.972) 8.475 9.297 ( -6.286 4.430 -3.918) 8.631 9.367 ( -6.182 -2.087 -2.287) 6.914 10.420 ( 0.069 5.735 -3.482) 6.710 10.522 ( -1.909 1.390 -5.059) 5.583 10.541 ( -1.819 9.413 -7.976) 12.471 10.842 ( -3.645 -14.356 -9.307) 17.493 11.257 ( -6.158 5.098 5.089) 9.476 11.285 ( -5.220 1.495 -3.566) 6.496 11.454 ( -1.869 0.300 -2.739) 3.330 11.538 ( -0.702 -7.469 3.116) 8.123 12.006 ( -10.409 1.992 6.349) 12.354 12.052 ( -13.326 -2.303 7.547) 15.487 12.105 ( -3.905 4.710 -3.458) 7.028 12.207 ( -4.261 -5.128 -4.482) 8.033 13.731 ( 10.430 1.468 -1.915) 10.705 13.799 ( 11.301 -5.449 -2.733) 12.840 14.265 ( 9.464 3.387 0.168) 10.054 14.323 ( 9.706 -2.501 0.228) 10.025 22.152 ( -0.051 3.243 -2.611) 4.164 22.220 ( -0.916 -3.536 -1.438) 3.925 22.386 ( -1.243 6.231 -5.349) 8.305 22.487 ( -2.093 -3.793 -4.254) 6.072 22.719 ( -5.195 3.367 -0.878) 6.253 22.778 ( -4.147 -2.664 -0.703) 4.979 23.363 ( -3.135 3.053 1.807) 4.735 23.426 ( -1.323 -2.386 1.371) 3.053 23.754 ( 1.539 10.840 3.941) 11.636 23.898 ( 4.010 -1.578 -0.157) 4.312 23.965 ( -1.931 1.159 -0.314) 2.274 24.040 ( -1.405 -5.921 4.543) 7.594 24.295 ( -1.033 -0.294 0.040) 1.075 24.331 ( -1.528 -4.249 -0.830) 4.591 25.078 ( 7.143 16.551 1.234) 18.069 25.401 ( 6.856 -15.495 2.560) 17.136 ======================= Grid point 31 (20/128) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 3.754 4.773 5.359) 8.099 2.334 ( 5.231 -4.776 5.145) 8.755 2.592 ( 2.927 7.690 -1.131) 8.306 2.664 ( 2.009 1.574 -2.194) 3.366 2.821 ( -1.874 11.448 -4.035) 12.282 2.962 ( 6.104 8.263 -0.800) 10.304 3.019 ( -0.188 -5.022 -1.889) 5.369 3.197 ( 0.606 -14.881 0.267) 14.896 3.386 ( 1.342 3.281 1.954) 4.048 3.413 ( -0.539 0.707 1.915) 2.111 3.465 ( -0.706 4.876 2.552) 5.549 3.508 ( -0.391 1.328 -4.111) 4.338 3.920 ( -0.527 1.326 2.645) 3.006 4.011 ( 0.719 -8.613 0.616) 8.664 4.063 ( 0.241 0.761 -1.373) 1.589 4.119 ( -0.872 -5.414 -1.272) 5.630 4.223 ( 0.372 1.349 -0.595) 1.520 4.332 ( 3.548 -7.557 -0.597) 8.370 4.718 ( 5.158 10.039 3.330) 11.767 4.750 ( 3.822 2.838 1.265) 4.925 5.113 ( 2.672 -0.272 3.795) 4.649 5.187 ( 4.347 -2.868 4.056) 6.601 5.309 ( -3.475 4.416 -3.336) 6.535 5.479 ( -3.306 -8.390 -1.714) 9.179 5.578 ( 7.904 0.856 2.863) 8.450 5.595 ( 5.091 -0.570 0.742) 5.176 6.014 ( -1.884 3.307 0.995) 3.934 6.095 ( -2.538 -3.714 -2.501) 5.147 6.308 ( -0.267 12.691 0.540) 12.705 6.491 ( 0.397 -4.351 0.194) 4.373 6.563 ( 1.401 7.773 -0.335) 7.906 6.706 ( 0.131 -5.629 -0.435) 5.647 6.836 ( -1.834 3.813 -0.910) 4.328 6.950 ( -1.317 -6.859 -2.021) 7.271 7.605 ( 2.016 9.720 1.199) 9.999 7.821 ( 1.743 -11.523 0.961) 11.694 8.691 ( 0.966 3.792 6.536) 7.618 8.747 ( -0.761 -1.546 0.827) 1.912 9.167 ( -3.197 4.344 -2.650) 6.009 9.260 ( -3.108 -4.157 -1.336) 5.360 10.384 ( -0.666 5.325 -1.135) 5.485 10.443 ( -0.295 12.344 -2.629) 12.624 10.473 ( -0.598 -3.660 -2.103) 4.263 10.717 ( -1.095 -13.595 -3.814) 14.163 11.201 ( -1.677 3.985 -1.148) 4.473 11.259 ( -1.017 -0.561 3.362) 3.556 11.382 ( -1.773 7.052 -2.598) 7.721 11.555 ( -0.099 -9.201 0.796) 9.236 11.942 ( -4.010 0.729 3.782) 5.561 11.963 ( -4.438 -1.155 1.391) 4.793 12.053 ( -1.142 1.634 1.270) 2.364 12.104 ( -1.435 -3.251 -4.316) 5.591 13.829 ( 3.476 1.707 -0.730) 3.941 13.897 ( 3.637 -4.954 -1.061) 6.237 14.375 ( 3.381 3.570 0.124) 4.919 14.437 ( 3.478 -2.710 0.165) 4.413 22.130 ( 0.067 3.009 -1.027) 3.180 22.194 ( -0.510 -3.351 -0.552) 3.435 22.333 ( -0.223 6.132 -1.754) 6.382 22.431 ( -0.577 -3.683 -1.459) 4.003 22.653 ( -1.831 3.192 -0.313) 3.693 22.724 ( -1.550 -3.922 -0.291) 4.227 23.339 ( -1.384 4.076 0.778) 4.374 23.420 ( -0.775 -3.564 0.767) 3.727 23.810 ( 1.195 14.449 1.088) 14.539 23.916 ( 0.642 1.235 -1.025) 1.729 23.938 ( -0.806 -0.269 -0.308) 0.904 24.090 ( 0.310 -9.851 2.886) 10.270 24.286 ( -0.472 -0.934 0.420) 1.127 24.304 ( -0.270 -4.551 -0.948) 4.656 25.169 ( 2.435 17.478 0.518) 17.655 25.497 ( 2.252 -15.090 0.913) 15.284 ======================= Grid point 63 (21/128) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 11.155 0.000 20.945) 23.730 0.563 ( -5.243 0.000 26.170) 26.690 1.162 ( -9.601 0.000 52.327) 53.201 1.830 ( -8.413 0.000 -19.932) 21.635 2.280 ( 4.473 0.000 -4.011) 6.008 2.499 ( -0.188 0.000 1.969) 1.978 2.611 ( -2.462 0.000 -0.453) 2.504 2.796 ( 1.936 0.000 4.539) 4.935 2.872 ( 0.989 0.000 -1.469) 1.771 3.244 ( -4.081 0.000 2.066) 4.574 3.336 ( 5.281 0.000 -5.558) 7.667 3.608 ( 4.526 0.000 1.963) 4.933 3.795 ( 1.956 0.000 3.913) 4.375 3.836 ( 6.336 0.000 10.733) 12.463 3.888 ( 2.061 0.000 -0.731) 2.187 4.226 ( 3.156 0.000 -1.174) 3.367 4.462 ( -1.370 0.000 2.320) 2.694 4.471 ( 2.765 0.000 1.792) 3.295 4.486 ( -0.683 0.000 4.176) 4.231 4.629 ( -8.829 0.000 5.216) 10.254 4.646 ( 14.698 0.000 6.474) 16.061 5.084 ( -3.241 0.000 -7.048) 7.757 5.292 ( 3.507 0.000 1.658) 3.879 5.325 ( 5.444 0.000 0.566) 5.473 5.531 ( -4.534 0.000 6.176) 7.661 5.838 ( -0.992 0.000 -2.037) 2.266 5.949 ( 1.435 0.000 -7.173) 7.315 6.079 ( -26.943 0.000 -1.238) 26.972 6.224 ( -3.458 0.000 2.018) 4.004 6.392 ( 2.632 0.000 2.480) 3.617 6.612 ( 11.726 0.000 -5.285) 12.862 6.668 ( 12.651 0.000 -4.047) 13.282 7.003 ( -3.581 0.000 -2.959) 4.645 7.058 ( 3.154 0.000 -5.819) 6.619 7.315 ( -7.817 0.000 3.805) 8.694 7.662 ( 7.999 0.000 -2.850) 8.491 8.516 ( -1.541 0.000 6.615) 6.793 8.900 ( -1.882 0.000 -1.407) 2.350 9.195 ( 6.270 0.000 -8.176) 10.303 9.384 ( -2.263 0.000 1.134) 2.532 9.724 ( 0.685 0.000 0.026) 0.685 10.230 ( -1.324 0.000 -1.420) 1.941 10.954 ( -5.980 0.000 -4.754) 7.640 11.225 ( -1.038 0.000 1.968) 2.225 11.442 ( -0.528 0.000 -8.982) 8.998 11.625 ( 0.081 0.000 -5.881) 5.882 11.775 ( 3.104 0.000 3.062) 4.360 12.210 ( 0.104 0.000 -0.526) 0.536 12.364 ( -1.787 0.000 -6.646) 6.882 12.414 ( 26.972 0.000 1.534) 27.015 12.654 ( -2.337 0.000 2.271) 3.258 12.773 ( 12.582 0.000 5.545) 13.750 13.073 ( -20.042 0.000 7.016) 21.234 13.645 ( 0.297 0.000 0.348) 0.457 13.770 ( 4.843 0.000 -1.071) 4.960 13.846 ( -35.701 0.000 -2.267) 35.773 21.820 ( 0.893 0.000 -0.689) 1.128 22.124 ( -0.147 0.000 -6.118) 6.120 22.446 ( -2.783 0.000 2.580) 3.795 22.745 ( -1.699 0.000 -2.257) 2.825 22.802 ( 4.038 0.000 3.789) 5.538 22.946 ( 0.627 0.000 2.856) 2.924 23.555 ( -1.105 0.000 -1.484) 1.850 23.622 ( -3.059 0.000 -0.457) 3.093 23.687 ( -46.509 0.000 -0.123) 46.509 23.712 ( 3.662 0.000 -3.804) 5.280 23.868 ( 2.109 0.000 3.209) 3.840 23.952 ( -11.853 0.000 1.374) 11.933 24.307 ( 1.479 0.000 -0.324) 1.514 24.390 ( 4.760 0.000 -4.573) 6.601 24.727 ( -9.800 0.000 8.325) 12.859 25.263 ( 51.571 0.000 -0.437) 51.573 ======================= Grid point 64 (22/128) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 7.112 0.000 19.236) 20.509 1.170 ( 33.617 0.000 13.452) 36.208 1.592 ( 8.355 0.000 -16.561) 18.550 1.693 ( 7.037 0.000 36.760) 37.428 2.397 ( 7.713 0.000 -2.179) 8.015 2.569 ( 7.507 0.000 -0.576) 7.529 2.639 ( 4.373 0.000 2.750) 5.166 2.847 ( 0.645 0.000 -4.419) 4.466 2.997 ( 16.171 0.000 -0.573) 16.181 3.262 ( -0.527 0.000 3.516) 3.555 3.408 ( 8.107 0.000 2.995) 8.642 3.624 ( 0.524 0.000 0.277) 0.593 3.825 ( -1.625 0.000 2.286) 2.805 3.893 ( -1.122 0.000 -0.542) 1.246 4.216 ( 15.003 0.000 11.192) 18.718 4.216 ( -3.329 0.000 1.578) 3.684 4.501 ( -9.243 0.000 4.640) 10.342 4.503 ( -0.041 0.000 5.622) 5.622 4.585 ( 3.388 0.000 1.911) 3.890 4.616 ( 6.559 0.000 9.152) 11.259 4.834 ( 3.904 0.000 4.476) 5.940 4.955 ( -1.932 0.000 -3.684) 4.160 5.209 ( -11.524 0.000 2.703) 11.837 5.345 ( 0.461 0.000 1.461) 1.532 5.503 ( -7.118 0.000 4.644) 8.499 5.759 ( -4.106 0.000 -6.288) 7.509 5.869 ( -0.014 0.000 -4.303) 4.303 5.933 ( 3.705 0.000 -5.716) 6.812 6.187 ( 0.230 0.000 -3.148) 3.156 6.513 ( 3.677 0.000 7.743) 8.572 6.613 ( -1.330 0.000 -0.701) 1.503 6.769 ( 12.254 0.000 -22.296) 25.442 6.967 ( -5.994 0.000 -5.580) 8.190 6.995 ( 4.001 0.000 -0.483) 4.030 7.248 ( -1.889 0.000 0.262) 1.907 7.817 ( 12.719 0.000 -3.088) 13.088 8.561 ( -5.037 0.000 9.824) 11.039 8.846 ( -0.552 0.000 -4.035) 4.073 9.170 ( 3.615 0.000 -8.530) 9.265 9.365 ( -1.578 0.000 1.532) 2.200 9.776 ( 4.770 0.000 1.082) 4.891 10.193 ( 1.428 0.000 -4.785) 4.994 10.841 ( -4.687 0.000 0.083) 4.688 11.239 ( -1.890 0.000 3.644) 4.105 11.317 ( -1.963 0.000 -8.175) 8.408 11.512 ( -6.014 0.000 -5.080) 7.873 11.800 ( -3.699 0.000 -1.665) 4.057 12.130 ( -10.108 0.000 4.443) 11.041 12.167 ( -25.456 0.000 10.650) 27.594 12.194 ( -2.332 0.000 -11.487) 11.721 12.580 ( -8.132 0.000 0.646) 8.158 12.795 ( -24.639 0.000 9.501) 26.408 13.298 ( 24.303 0.000 -0.985) 24.323 13.740 ( 8.579 0.000 1.506) 8.710 13.790 ( 16.699 0.000 -8.412) 18.698 13.947 ( 14.748 0.000 0.603) 14.760 21.845 ( 2.653 0.000 -0.036) 2.653 22.052 ( 2.013 0.000 -8.369) 8.608 22.436 ( -2.078 0.000 2.329) 3.121 22.673 ( -3.289 0.000 -2.372) 4.056 22.900 ( -1.666 0.000 5.550) 5.794 22.982 ( -0.124 0.000 2.343) 2.346 23.098 ( -25.397 0.000 11.160) 27.741 23.536 ( -4.668 0.000 -2.856) 5.473 23.622 ( 3.777 0.000 0.348) 3.793 23.706 ( -0.262 0.000 -1.417) 1.441 23.922 ( -0.331 0.000 0.282) 0.435 23.969 ( 3.208 0.000 4.795) 5.770 24.345 ( 2.857 0.000 0.471) 2.895 24.425 ( 5.600 0.000 -3.827) 6.782 24.662 ( -7.721 0.000 5.454) 9.453 25.722 ( 19.526 0.000 -8.717) 21.384 ======================= Grid point 65 (23/128) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 12.946 0.000 12.030) 17.673 1.717 ( 18.331 0.000 -2.110) 18.452 1.792 ( 17.488 0.000 17.951) 25.062 2.247 ( 20.632 0.000 14.008) 24.938 2.449 ( 5.212 0.000 -3.621) 6.346 2.610 ( -2.897 0.000 -5.941) 6.610 2.769 ( 6.217 0.000 3.471) 7.120 2.852 ( 9.662 0.000 -4.782) 10.780 3.148 ( 8.455 0.000 -9.422) 12.659 3.296 ( -0.073 0.000 3.868) 3.869 3.650 ( -0.166 0.000 2.324) 2.330 3.707 ( 14.332 0.000 1.559) 14.417 3.783 ( -5.192 0.000 -0.221) 5.197 3.896 ( 2.266 0.000 7.338) 7.680 4.184 ( -1.673 0.000 3.908) 4.251 4.334 ( -7.423 0.000 -4.866) 8.876 4.524 ( 15.172 0.000 -2.846) 15.436 4.574 ( 0.524 0.000 5.036) 5.063 4.620 ( -2.766 0.000 0.568) 2.823 4.869 ( 0.188 0.000 13.520) 13.521 4.940 ( 8.282 0.000 2.369) 8.614 5.049 ( 7.259 0.000 9.578) 12.018 5.108 ( -2.447 0.000 1.314) 2.777 5.349 ( -2.403 0.000 2.632) 3.564 5.416 ( -8.686 0.000 3.672) 9.430 5.596 ( -5.426 0.000 -3.866) 6.663 5.860 ( 2.257 0.000 -1.977) 3.000 5.938 ( 7.072 0.000 -8.690) 11.204 6.152 ( -0.329 0.000 -2.425) 2.447 6.546 ( -4.190 0.000 -4.427) 6.095 6.606 ( -2.691 0.000 -0.981) 2.864 6.642 ( 2.718 0.000 -16.105) 16.333 6.868 ( 0.172 0.000 6.842) 6.844 7.082 ( 6.167 0.000 0.773) 6.215 7.232 ( 0.912 0.000 -3.347) 3.469 7.967 ( 10.162 0.000 -3.627) 10.790 8.575 ( -7.980 0.000 9.345) 12.289 8.797 ( 0.582 0.000 -3.234) 3.286 9.119 ( 2.884 0.000 -8.203) 8.695 9.367 ( -0.810 0.000 1.649) 1.837 9.897 ( 6.865 0.000 2.420) 7.279 10.157 ( 3.291 0.000 -7.616) 8.296 10.781 ( -6.428 0.000 4.552) 7.877 11.181 ( -3.411 0.000 -6.768) 7.579 11.240 ( 0.397 0.000 -3.481) 3.504 11.324 ( -14.261 0.000 5.175) 15.171 11.590 ( -13.255 0.000 -4.980) 14.160 11.964 ( -11.887 0.000 5.318) 13.022 12.034 ( -1.727 0.000 -8.448) 8.623 12.077 ( -3.443 0.000 2.366) 4.178 12.437 ( -8.487 0.000 -0.142) 8.488 12.518 ( -21.660 0.000 8.846) 23.397 13.613 ( 15.170 0.000 1.022) 15.204 13.918 ( 9.126 0.000 2.324) 9.418 13.950 ( 14.074 0.000 -8.446) 16.414 14.209 ( 14.752 0.000 0.794) 14.774 21.904 ( 3.732 0.000 0.772) 3.811 21.997 ( 3.081 0.000 -7.338) 7.958 22.428 ( -2.482 0.000 2.326) 3.402 22.587 ( -3.957 0.000 -1.699) 4.307 22.791 ( -16.580 0.000 9.766) 19.243 23.002 ( -0.044 0.000 1.384) 1.384 23.048 ( 1.578 0.000 2.260) 2.756 23.405 ( -5.939 0.000 -3.878) 7.094 23.678 ( -1.873 0.000 -0.057) 1.874 23.679 ( 2.636 0.000 -0.075) 2.638 23.927 ( 0.208 0.000 0.633) 0.666 24.066 ( 1.704 0.000 4.073) 4.415 24.409 ( 3.821 0.000 0.613) 3.870 24.454 ( -1.437 0.000 0.606) 1.559 24.640 ( 2.265 0.000 0.505) 2.321 25.855 ( 9.211 0.000 -6.000) 10.993 ======================= Grid point 66 (24/128) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 12.507 0.000 11.153) 16.758 2.038 ( 13.990 0.000 5.616) 15.075 2.142 ( 1.949 0.000 11.249) 11.417 2.425 ( -3.887 0.000 -8.215) 9.089 2.449 ( 4.891 0.000 -3.525) 6.029 2.665 ( 11.063 0.000 1.402) 11.152 2.929 ( 3.352 0.000 -4.794) 5.850 2.946 ( 11.389 0.000 -1.256) 11.458 3.162 ( 7.299 0.000 0.091) 7.299 3.341 ( -0.315 0.000 2.890) 2.907 3.636 ( -2.141 0.000 -7.333) 7.639 3.711 ( -2.469 0.000 7.080) 7.498 3.783 ( 2.682 0.000 -3.193) 4.170 3.955 ( -3.035 0.000 -0.573) 3.089 4.163 ( -3.519 0.000 -5.968) 6.928 4.428 ( 12.803 0.000 9.970) 16.227 4.554 ( -1.849 0.000 -1.194) 2.201 4.638 ( 3.059 0.000 0.802) 3.162 4.734 ( 15.233 0.000 -5.909) 16.339 4.845 ( -5.274 0.000 -2.273) 5.743 5.072 ( 2.934 0.000 1.622) 3.353 5.239 ( 6.867 0.000 -0.894) 6.925 5.281 ( 7.859 0.000 9.544) 12.364 5.337 ( -6.861 0.000 6.951) 9.766 5.352 ( -3.818 0.000 6.256) 7.329 5.521 ( -3.229 0.000 2.764) 4.250 5.872 ( 0.384 0.000 -0.185) 0.426 5.959 ( 7.528 0.000 -7.408) 10.562 6.121 ( -2.799 0.000 1.435) 3.145 6.364 ( -5.446 0.000 -9.274) 10.755 6.502 ( -3.096 0.000 -1.952) 3.660 6.511 ( -2.617 0.000 -5.610) 6.191 7.063 ( 5.412 0.000 11.287) 12.518 7.175 ( -0.640 0.000 -6.561) 6.592 7.196 ( 5.892 0.000 0.018) 5.892 8.061 ( 6.767 0.000 -4.238) 7.984 8.511 ( -6.543 0.000 0.290) 6.550 8.799 ( -1.733 0.000 4.963) 5.257 9.080 ( 3.738 0.000 -6.887) 7.836 9.365 ( -1.136 0.000 0.206) 1.154 10.035 ( 4.950 0.000 2.838) 5.706 10.124 ( 4.533 0.000 -8.209) 9.378 10.733 ( -7.754 0.000 7.222) 10.596 11.056 ( -3.153 0.000 -3.811) 4.946 11.090 ( -6.284 0.000 -5.802) 8.553 11.291 ( -7.290 0.000 13.163) 15.046 11.349 ( -8.242 0.000 -3.324) 8.887 11.878 ( -3.159 0.000 0.260) 3.170 11.927 ( 1.425 0.000 -8.408) 8.528 12.029 ( -2.734 0.000 -3.051) 4.096 12.293 ( -16.498 0.000 5.581) 17.416 12.334 ( -5.733 0.000 3.711) 6.829 13.836 ( 9.725 0.000 1.713) 9.875 14.057 ( 8.362 0.000 -3.713) 9.149 14.075 ( 5.527 0.000 3.099) 6.336 14.424 ( 9.901 0.000 0.302) 9.906 21.978 ( 3.341 0.000 1.370) 3.611 21.982 ( 4.360 0.000 -5.417) 6.954 22.404 ( -4.092 0.000 2.660) 4.880 22.509 ( -3.444 0.000 -0.659) 3.506 22.675 ( -10.336 0.000 7.868) 12.990 23.015 ( 0.649 0.000 -0.443) 0.786 23.093 ( 1.489 0.000 0.368) 1.534 23.269 ( -5.047 0.000 -2.177) 5.496 23.646 ( -1.912 0.000 -0.082) 1.914 23.709 ( 1.287 0.000 0.027) 1.287 23.939 ( 0.142 0.000 0.785) 0.798 24.121 ( 0.523 0.000 2.043) 2.109 24.396 ( -4.799 0.000 0.329) 4.810 24.470 ( 3.179 0.000 -0.723) 3.260 24.732 ( 5.950 0.000 1.194) 6.068 25.906 ( 5.483 0.000 -5.193) 7.552 ======================= Grid point 67 (25/128) ======================= q-point: (-0.56 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -1.924 0.000 5.516) 5.842 2.107 ( -8.495 0.000 -6.425) 10.651 2.138 ( -0.097 0.000 -0.146) 0.175 2.471 ( 4.434 0.000 -6.242) 7.656 2.490 ( 7.299 0.000 8.527) 11.225 2.728 ( -0.545 0.000 -0.142) 0.564 2.872 ( 2.171 0.000 -6.991) 7.321 3.096 ( 6.753 0.000 5.756) 8.873 3.363 ( -0.860 0.000 2.979) 3.101 3.384 ( 5.948 0.000 3.565) 6.935 3.496 ( -0.460 0.000 -9.645) 9.656 3.733 ( 1.010 0.000 -5.020) 5.121 3.778 ( -1.967 0.000 6.637) 6.923 3.948 ( 0.359 0.000 2.847) 2.870 4.120 ( 3.208 0.000 -0.459) 3.241 4.541 ( -0.265 0.000 2.274) 2.289 4.587 ( -1.394 0.000 -3.401) 3.676 4.645 ( 2.195 0.000 -6.540) 6.898 4.743 ( -3.726 0.000 -0.100) 3.728 4.896 ( 15.519 0.000 -9.962) 18.441 5.131 ( 2.949 0.000 -3.088) 4.270 5.274 ( -6.153 0.000 3.873) 7.270 5.277 ( 3.567 0.000 -5.766) 6.780 5.324 ( -8.850 0.000 4.943) 10.137 5.439 ( -4.561 0.000 4.561) 6.451 5.514 ( -3.599 0.000 3.784) 5.222 5.860 ( -1.526 0.000 -0.173) 1.535 6.030 ( 7.714 0.000 0.105) 7.715 6.103 ( -1.955 0.000 3.775) 4.251 6.275 ( 6.227 0.000 -2.368) 6.662 6.439 ( -0.958 0.000 -0.074) 0.961 6.501 ( 1.056 0.000 3.861) 4.003 7.039 ( -4.216 0.000 -8.453) 9.446 7.245 ( 1.774 0.000 -3.023) 3.505 7.258 ( 2.993 0.000 7.314) 7.903 8.083 ( 3.544 0.000 -6.352) 7.273 8.387 ( -4.119 0.000 -5.132) 6.580 8.851 ( -2.326 0.000 8.931) 9.229 9.082 ( 5.186 0.000 -5.132) 7.296 9.333 ( -1.322 0.000 -1.702) 2.155 10.099 ( -0.159 0.000 0.719) 0.736 10.115 ( 5.730 0.000 -7.384) 9.346 10.716 ( -5.370 0.000 8.606) 10.144 10.954 ( -6.082 0.000 -0.007) 6.082 11.021 ( 1.412 0.000 1.186) 1.843 11.256 ( -0.783 0.000 0.119) 0.792 11.367 ( -2.693 0.000 13.578) 13.842 11.850 ( 1.732 0.000 -3.733) 4.115 11.872 ( 5.051 0.000 -10.722) 11.852 11.940 ( -0.991 0.000 -3.906) 4.030 12.102 ( -12.210 0.000 1.851) 12.349 12.333 ( -2.331 0.000 6.359) 6.773 13.959 ( 2.549 0.000 1.364) 2.891 14.163 ( 5.693 0.000 2.906) 6.392 14.166 ( 0.305 0.000 3.630) 3.643 14.530 ( 3.012 0.000 -0.644) 3.080 22.009 ( 5.454 0.000 -3.556) 6.510 22.029 ( 0.494 0.000 1.057) 1.167 22.367 ( -4.250 0.000 3.201) 5.320 22.471 ( -0.896 0.000 0.819) 1.214 22.629 ( -6.430 0.000 6.826) 9.378 22.990 ( -0.127 0.000 -4.475) 4.477 23.101 ( 0.094 0.000 -1.194) 1.198 23.233 ( 0.188 0.000 3.602) 3.607 23.615 ( -0.880 0.000 -1.121) 1.425 23.730 ( 0.594 0.000 0.896) 1.075 23.948 ( -0.255 0.000 0.705) 0.750 24.127 ( -1.125 0.000 -0.564) 1.258 24.334 ( -1.816 0.000 -0.900) 2.026 24.485 ( 1.102 0.000 -2.992) 3.188 24.829 ( 1.800 0.000 3.440) 3.882 25.918 ( 3.924 0.000 -5.582) 6.823 ======================= Grid point 68 (26/128) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -16.791 0.000 -2.125) 16.925 1.769 ( -15.161 0.000 -14.417) 20.921 2.171 ( -2.655 0.000 5.249) 5.882 2.475 ( 5.686 0.000 -5.838) 8.150 2.665 ( 0.080 0.000 11.831) 11.832 2.687 ( -6.745 0.000 2.260) 7.113 2.937 ( 12.325 0.000 -4.500) 13.121 3.246 ( -3.390 0.000 -3.222) 4.677 3.315 ( -5.360 0.000 5.650) 7.788 3.331 ( -5.183 0.000 -1.683) 5.449 3.429 ( 2.680 0.000 -4.990) 5.664 3.779 ( 3.546 0.000 -0.114) 3.548 3.832 ( -0.930 0.000 7.904) 7.958 3.981 ( 1.685 0.000 -1.749) 2.429 4.199 ( 4.354 0.000 0.686) 4.407 4.290 ( -16.731 0.000 -15.544) 22.838 4.603 ( 2.495 0.000 4.299) 4.971 4.636 ( -5.039 0.000 0.824) 5.106 4.657 ( -0.846 0.000 -3.825) 3.918 4.937 ( 3.101 0.000 -15.012) 15.329 5.068 ( -1.138 0.000 -7.096) 7.186 5.139 ( -11.076 0.000 -1.123) 11.132 5.216 ( -6.564 0.000 3.773) 7.571 5.276 ( -1.889 0.000 1.121) 2.197 5.343 ( -7.271 0.000 2.684) 7.750 5.522 ( 0.585 0.000 4.444) 4.482 5.834 ( 0.496 0.000 -1.807) 1.874 6.174 ( 2.003 0.000 6.998) 7.279 6.189 ( 3.609 0.000 5.531) 6.604 6.430 ( 7.511 0.000 2.227) 7.835 6.538 ( 15.259 0.000 0.986) 15.291 6.584 ( 0.971 0.000 4.251) 4.360 6.849 ( -5.427 0.000 -7.120) 8.952 7.185 ( -2.743 0.000 -4.634) 5.385 7.335 ( -0.526 0.000 2.587) 2.640 8.027 ( 1.536 0.000 -9.531) 9.654 8.282 ( -0.354 0.000 -4.910) 4.923 8.926 ( -1.781 0.000 8.282) 8.471 9.112 ( 5.839 0.000 -6.146) 8.478 9.300 ( -0.377 0.000 -0.355) 0.518 10.058 ( -3.879 0.000 -1.199) 4.060 10.128 ( 6.287 0.000 -7.213) 9.568 10.769 ( -1.253 0.000 8.840) 8.928 10.882 ( -5.314 0.000 3.365) 6.290 11.132 ( 6.866 0.000 5.731) 8.944 11.308 ( 4.367 0.000 2.513) 5.039 11.541 ( 2.903 0.000 15.074) 15.351 11.811 ( 5.026 0.000 -12.195) 13.191 11.829 ( 3.936 0.000 -8.187) 9.084 11.939 ( -8.089 0.000 -0.637) 8.114 11.942 ( 4.832 0.000 -1.959) 5.214 12.395 ( 0.651 0.000 5.729) 5.766 13.963 ( -4.606 0.000 2.633) 5.305 14.168 ( -5.220 0.000 3.301) 6.176 14.309 ( 3.518 0.000 8.294) 9.009 14.504 ( -4.220 0.000 -1.990) 4.666 22.012 ( -2.942 0.000 -0.096) 2.943 22.072 ( 6.176 0.000 -2.047) 6.506 22.352 ( -2.271 0.000 3.447) 4.128 22.506 ( 2.469 0.000 2.524) 3.531 22.618 ( -5.239 0.000 7.234) 8.932 22.934 ( 0.696 0.000 -4.685) 4.736 23.065 ( -1.556 0.000 -2.874) 3.268 23.332 ( 3.611 0.000 6.001) 7.004 23.594 ( 1.073 0.000 -2.379) 2.610 23.747 ( -0.438 0.000 1.307) 1.378 23.947 ( -0.684 0.000 0.520) 0.859 24.072 ( -2.445 0.000 -3.047) 3.906 24.318 ( 0.977 0.000 -0.964) 1.373 24.439 ( -0.756 0.000 -4.464) 4.527 24.869 ( -3.116 0.000 5.169) 6.036 25.905 ( 3.518 0.000 -6.479) 7.372 ======================= Grid point 69 (27/128) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -22.493 0.000 -2.721) 22.657 1.311 ( -20.494 0.000 -11.072) 23.293 2.193 ( -6.267 0.000 12.809) 14.260 2.486 ( -19.817 0.000 -2.936) 20.033 2.530 ( 5.110 0.000 -2.446) 5.666 2.816 ( 2.094 0.000 9.134) 9.371 2.930 ( -20.376 0.000 0.129) 20.376 3.049 ( 7.655 0.000 -6.834) 10.261 3.152 ( -12.815 0.000 -3.187) 13.206 3.393 ( 3.629 0.000 -2.515) 4.415 3.456 ( 4.805 0.000 0.154) 4.807 3.724 ( -25.024 0.000 -14.446) 28.894 3.789 ( -0.576 0.000 -2.391) 2.459 3.899 ( -3.080 0.000 5.702) 6.481 3.964 ( 0.837 0.000 -4.569) 4.645 4.265 ( 4.271 0.000 -0.823) 4.349 4.518 ( -3.200 0.000 -5.542) 6.400 4.526 ( -14.656 0.000 -16.435) 22.021 4.624 ( -4.082 0.000 2.737) 4.915 4.757 ( -2.580 0.000 4.929) 5.563 4.950 ( -4.511 0.000 -4.056) 6.066 5.018 ( -4.433 0.000 1.755) 4.768 5.168 ( -5.985 0.000 2.988) 6.689 5.272 ( 0.969 0.000 -0.642) 1.162 5.326 ( 0.457 0.000 4.612) 4.634 5.660 ( 7.117 0.000 6.289) 9.498 5.842 ( 2.823 0.000 -1.443) 3.170 6.250 ( -3.784 0.000 6.126) 7.200 6.274 ( 0.049 0.000 3.321) 3.322 6.525 ( -5.084 0.000 -5.680) 7.623 6.542 ( 4.693 0.000 0.296) 4.702 6.831 ( 3.845 0.000 5.784) 6.945 6.882 ( 21.573 0.000 -2.323) 21.697 7.088 ( -2.504 0.000 0.571) 2.568 7.328 ( -1.956 0.000 0.750) 2.094 7.912 ( 0.990 0.000 -12.800) 12.838 8.272 ( 3.554 0.000 -1.318) 3.790 8.976 ( -2.614 0.000 5.624) 6.202 9.109 ( 5.830 0.000 -9.798) 11.401 9.324 ( 0.423 0.000 3.440) 3.466 9.958 ( -5.850 0.000 -1.437) 6.024 10.142 ( 5.833 0.000 -6.976) 9.093 10.842 ( -1.529 0.000 2.322) 2.780 10.887 ( -1.735 0.000 11.068) 11.203 11.354 ( 6.306 0.000 9.017) 11.003 11.455 ( 12.018 0.000 1.602) 12.124 11.755 ( 5.443 0.000 -11.253) 12.501 11.761 ( -0.940 0.000 -6.519) 6.586 11.771 ( 0.361 0.000 4.815) 4.829 11.884 ( 9.684 0.000 1.706) 9.833 12.037 ( 8.952 0.000 -1.294) 9.045 12.481 ( 2.542 0.000 3.629) 4.431 13.877 ( -11.082 0.000 4.648) 12.018 14.074 ( -9.863 0.000 2.131) 10.090 14.349 ( -10.294 0.000 -3.453) 10.858 14.476 ( 1.248 0.000 13.083) 13.143 21.947 ( -3.775 0.000 -0.890) 3.878 22.158 ( 6.766 0.000 -1.692) 6.974 22.374 ( -0.330 0.000 3.501) 3.517 22.598 ( 3.887 0.000 3.515) 5.241 22.637 ( -4.817 0.000 10.231) 11.308 22.904 ( 1.527 0.000 -3.558) 3.872 22.981 ( -3.260 0.000 -4.236) 5.346 23.467 ( 3.633 0.000 5.539) 6.624 23.599 ( 3.729 0.000 -3.082) 4.838 23.732 ( -2.584 0.000 -0.144) 2.588 23.941 ( -0.662 0.000 0.521) 0.842 23.986 ( -2.693 0.000 -3.772) 4.635 24.332 ( 2.184 0.000 -1.449) 2.621 24.370 ( -1.096 0.000 -3.685) 3.844 24.858 ( -6.651 0.000 6.873) 9.564 25.879 ( 3.969 0.000 -8.189) 9.101 ======================= Grid point 70 (28/128) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -25.647 0.000 1.634) 25.699 0.876 ( -26.153 0.000 5.873) 26.804 1.840 ( -46.244 0.000 -6.291) 46.670 2.290 ( -5.911 0.000 18.995) 19.894 2.618 ( -1.406 0.000 4.870) 5.069 2.711 ( -4.398 0.000 -0.450) 4.421 2.750 ( -17.533 0.000 -6.287) 18.626 3.015 ( 1.905 0.000 -11.133) 11.295 3.052 ( 3.015 0.000 9.425) 9.895 3.134 ( -24.758 0.000 -10.118) 26.746 3.378 ( 2.834 0.000 -8.127) 8.607 3.558 ( 3.569 0.000 2.325) 4.260 3.760 ( 2.391 0.000 -4.470) 5.070 3.841 ( -6.607 0.000 -1.050) 6.690 3.953 ( 1.423 0.000 -1.070) 1.781 4.031 ( -17.070 0.000 -14.115) 22.150 4.337 ( 4.546 0.000 0.109) 4.547 4.421 ( -0.797 0.000 -4.649) 4.717 4.578 ( -5.820 0.000 3.029) 6.562 4.748 ( -7.844 0.000 7.262) 10.689 4.811 ( -7.310 0.000 -4.510) 8.589 5.056 ( 3.811 0.000 3.178) 4.962 5.092 ( -4.987 0.000 1.567) 5.227 5.274 ( 1.098 0.000 -2.692) 2.907 5.421 ( 1.180 0.000 6.485) 6.591 5.817 ( 3.544 0.000 0.806) 3.635 5.923 ( 6.678 0.000 3.154) 7.385 6.222 ( -4.556 0.000 -2.006) 4.978 6.240 ( -4.720 0.000 5.194) 7.018 6.426 ( -1.553 0.000 -1.835) 2.404 6.603 ( 2.468 0.000 0.499) 2.518 6.932 ( 1.672 0.000 -8.757) 8.916 6.982 ( 5.905 0.000 2.171) 6.292 7.319 ( -2.123 0.000 4.447) 4.928 7.331 ( 16.887 0.000 4.725) 17.536 7.754 ( 1.147 0.000 -16.336) 16.376 8.350 ( 4.230 0.000 2.536) 4.932 8.975 ( -3.314 0.000 2.752) 4.307 9.088 ( 6.319 0.000 -9.592) 11.487 9.369 ( -0.819 0.000 3.864) 3.950 9.843 ( -5.846 0.000 -1.123) 5.953 10.162 ( 4.730 0.000 -3.570) 5.926 10.856 ( -2.686 0.000 8.096) 8.530 11.002 ( 0.854 0.000 7.601) 7.649 11.507 ( 3.439 0.000 4.756) 5.869 11.636 ( -2.771 0.000 -9.074) 9.487 11.654 ( 5.154 0.000 -6.000) 7.910 11.726 ( 1.065 0.000 -6.971) 7.052 11.811 ( 16.266 0.000 0.697) 16.281 12.197 ( 11.584 0.000 -1.117) 11.637 12.217 ( 17.167 0.000 7.939) 18.913 12.559 ( 3.074 0.000 1.500) 3.420 13.705 ( -17.672 0.000 5.948) 18.646 13.906 ( -12.087 0.000 0.846) 12.116 14.100 ( -13.342 0.000 -4.386) 14.045 14.677 ( 2.032 0.000 15.876) 16.006 21.878 ( -2.791 0.000 -1.161) 3.023 22.237 ( 6.121 0.000 -4.242) 7.447 22.417 ( -0.188 0.000 3.890) 3.895 22.704 ( 3.474 0.000 3.289) 4.783 22.733 ( -1.551 0.000 14.015) 14.101 22.880 ( -4.907 0.000 3.769) 6.187 22.892 ( 1.294 0.000 -2.199) 2.552 23.568 ( 2.692 0.000 2.671) 3.792 23.643 ( 5.090 0.000 -2.423) 5.637 23.659 ( -3.748 0.000 -2.471) 4.490 23.901 ( -2.529 0.000 -2.913) 3.857 23.943 ( -0.318 0.000 1.236) 1.276 24.324 ( -0.578 0.000 -1.604) 1.705 24.352 ( 2.955 0.000 -2.334) 3.766 24.824 ( -8.600 0.000 8.472) 12.072 25.818 ( 3.998 0.000 -15.354) 15.866 ======================= Grid point 71 (29/128) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -23.761 0.000 15.668) 28.462 0.664 ( -27.263 0.000 22.688) 35.468 1.019 ( -48.370 0.000 19.973) 52.331 2.261 ( -18.927 0.000 -7.720) 20.441 2.458 ( -14.639 0.000 -2.252) 14.811 2.472 ( -3.876 0.000 7.781) 8.693 2.695 ( -2.706 0.000 -7.347) 7.829 2.850 ( -1.669 0.000 0.251) 1.688 2.897 ( 0.392 0.000 -7.841) 7.851 3.272 ( 2.290 0.000 13.301) 13.497 3.332 ( 4.884 0.000 -8.786) 10.052 3.491 ( -5.433 0.000 -6.011) 8.102 3.738 ( 1.033 0.000 -1.004) 1.440 3.802 ( -3.826 0.000 0.505) 3.859 3.823 ( 8.446 0.000 3.299) 9.067 3.978 ( 2.521 0.000 7.021) 7.460 4.386 ( 1.647 0.000 -1.135) 2.000 4.408 ( 3.780 0.000 0.148) 3.783 4.512 ( -5.180 0.000 1.502) 5.393 4.584 ( -9.774 0.000 -6.122) 11.533 4.699 ( -8.782 0.000 7.240) 11.382 5.099 ( -0.182 0.000 10.151) 10.152 5.156 ( 3.303 0.000 0.214) 3.310 5.238 ( 0.282 0.000 -2.911) 2.925 5.500 ( -1.255 0.000 6.550) 6.669 5.850 ( 1.213 0.000 -0.406) 1.279 5.994 ( 2.227 0.000 -5.245) 5.698 6.202 ( -0.955 0.000 6.324) 6.396 6.265 ( 2.117 0.000 4.952) 5.385 6.385 ( -0.564 0.000 -2.389) 2.455 6.637 ( 0.459 0.000 0.628) 0.778 6.815 ( -4.268 0.000 -13.779) 14.425 7.049 ( 4.702 0.000 -4.199) 6.304 7.351 ( -4.089 0.000 7.038) 8.140 7.355 ( -8.752 0.000 -30.155) 31.400 7.633 ( 4.027 0.000 -4.821) 6.281 8.447 ( 1.760 0.000 4.677) 4.997 8.943 ( -2.825 0.000 0.600) 2.888 9.125 ( 8.857 0.000 -3.469) 9.512 9.389 ( -1.774 0.000 3.404) 3.838 9.752 ( -3.459 0.000 -0.694) 3.528 10.226 ( 2.978 0.000 1.986) 3.579 11.051 ( 2.894 0.000 6.268) 6.904 11.111 ( 9.350 0.000 19.061) 21.231 11.486 ( 1.514 0.000 3.013) 3.372 11.541 ( 1.507 0.000 -7.592) 7.740 11.673 ( 2.323 0.000 -6.543) 6.943 11.675 ( 3.499 0.000 2.646) 4.387 12.099 ( 12.396 0.000 2.004) 12.557 12.356 ( 8.822 0.000 -2.759) 9.244 12.583 ( 18.089 0.000 2.328) 18.238 12.621 ( 2.468 0.000 1.299) 2.789 13.430 ( -24.808 0.000 5.994) 25.522 13.726 ( -9.295 0.000 0.087) 9.295 13.846 ( -9.460 0.000 -3.734) 10.170 14.774 ( -7.564 0.000 -17.818) 19.357 21.832 ( -1.058 0.000 -1.073) 1.507 22.219 ( -0.697 0.000 -6.606) 6.643 22.452 ( -2.067 0.000 4.177) 4.661 22.738 ( 0.907 0.000 -2.238) 2.415 22.768 ( 0.998 0.000 0.173) 1.012 22.902 ( 1.170 0.000 1.023) 1.554 23.384 ( 29.844 0.000 51.727) 59.719 23.580 ( -1.157 0.000 -1.966) 2.282 23.631 ( 1.154 0.000 1.898) 2.222 23.685 ( 4.812 0.000 -4.184) 6.376 23.845 ( -1.255 0.000 -0.375) 1.310 23.977 ( 2.442 0.000 6.349) 6.803 24.313 ( 0.147 0.000 0.772) 0.786 24.371 ( 3.648 0.000 -3.508) 5.062 24.781 ( -9.602 0.000 9.184) 13.287 25.421 ( -22.293 0.000 -45.629) 50.784 ======================= Grid point 72 (30/128) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 10.542 16.565 14.089) 24.167 0.958 ( -3.217 22.667 22.501) 32.101 1.503 ( -8.903 33.489 33.883) 48.465 1.876 ( -7.570 3.056 -19.518) 21.157 2.324 ( 4.335 3.993 -1.438) 6.067 2.474 ( 1.619 -1.252 3.953) 4.452 2.667 ( -2.566 2.883 0.829) 3.948 2.790 ( 3.654 1.001 3.328) 5.042 2.878 ( 0.735 0.286 -4.101) 4.176 3.201 ( 3.857 -5.998 -7.727) 10.514 3.320 ( 0.095 1.160 6.117) 6.227 3.682 ( 5.968 1.638 3.039) 6.895 3.721 ( 3.213 -6.118 1.035) 6.987 3.781 ( 0.233 -4.802 1.896) 5.168 3.879 ( 5.304 0.863 3.392) 6.355 4.042 ( -3.888 -3.822 6.754) 8.680 4.355 ( -0.423 -7.064 2.322) 7.448 4.434 ( -1.186 -2.421 3.691) 4.571 4.481 ( 0.613 -1.378 6.153) 6.335 4.685 ( 7.529 6.342 2.328) 10.116 4.787 ( -5.313 6.814 2.445) 8.980 5.066 ( -3.089 -5.350 -0.354) 6.188 5.131 ( -1.078 -8.121 6.975) 10.760 5.376 ( -2.264 4.062 -2.448) 5.255 5.584 ( -2.348 5.980 6.669) 9.260 5.797 ( -3.524 -2.469 -2.369) 4.912 5.956 ( 1.787 2.631 -5.195) 6.091 6.163 ( -5.537 -0.789 -1.298) 5.741 6.303 ( -8.539 5.201 -3.924) 10.741 6.395 ( 2.277 1.164 0.912) 2.715 6.566 ( 17.761 -7.146 -8.721) 21.038 6.595 ( 0.891 -5.230 0.440) 5.324 6.999 ( -1.917 -0.034 -3.306) 3.822 7.061 ( 4.843 -0.164 -4.690) 6.744 7.302 ( -7.899 -1.172 3.319) 8.648 7.625 ( 9.151 -3.380 -2.274) 10.017 8.487 ( -1.164 -2.447 6.152) 6.723 8.877 ( -0.206 -6.343 2.094) 6.683 9.192 ( 4.778 6.049 -7.636) 10.850 9.436 ( -2.221 4.807 0.808) 5.356 10.075 ( 5.589 17.017 -18.635) 25.847 10.311 ( -5.209 10.811 -4.691) 12.884 10.926 ( -6.183 -2.682 -5.107) 8.456 11.225 ( -0.080 0.195 3.222) 3.228 11.405 ( -0.954 -3.293 -6.856) 7.665 11.595 ( 1.206 -2.898 -6.542) 7.256 11.754 ( 4.113 -2.528 1.001) 4.930 12.079 ( 11.046 -10.873 2.483) 15.697 12.301 ( -2.095 -0.433 4.795) 5.251 12.457 ( -0.113 1.449 0.486) 1.532 12.620 ( 3.586 -0.766 2.886) 4.666 12.824 ( 16.415 2.187 -0.762) 16.577 13.073 ( -20.302 0.004 7.111) 21.511 13.454 ( -18.525 -16.694 15.027) 29.115 13.660 ( 0.065 1.413 0.258) 1.438 13.836 ( -2.948 -0.773 -1.509) 3.401 22.126 ( 3.869 2.547 -8.218) 9.433 22.192 ( -1.960 18.460 -15.643) 24.276 22.429 ( -2.274 -1.804 1.573) 3.301 22.718 ( 0.299 0.033 -1.718) 1.744 22.870 ( -1.469 3.221 2.668) 4.433 22.999 ( 1.337 4.843 2.347) 5.546 23.472 ( -13.474 -7.978 -0.416) 15.665 23.519 ( -1.127 -5.040 -0.749) 5.219 23.650 ( -1.759 1.711 0.206) 2.462 23.755 ( -3.408 -0.582 0.527) 3.498 23.919 ( 2.211 4.190 -1.594) 4.999 24.116 ( -16.055 9.558 -0.680) 18.697 24.327 ( 0.371 2.514 -1.186) 2.804 24.375 ( 3.788 -1.590 -3.938) 5.691 24.630 ( -0.407 -7.033 10.927) 13.001 25.160 ( 26.822 -7.152 4.707) 28.156 ======================= Grid point 73 (31/128) ======================= q-point: ( 0.11 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 8.236 21.046 14.313) 26.751 1.266 ( 28.742 11.209 12.224) 33.184 1.656 ( 8.840 5.978 -15.102) 18.492 1.863 ( 3.741 16.807 28.771) 33.530 2.443 ( 4.586 4.360 -0.030) 6.328 2.600 ( 8.747 3.303 2.292) 9.627 2.704 ( 4.941 5.555 0.471) 7.450 2.843 ( 4.133 -0.560 -3.776) 5.626 3.007 ( 16.266 1.778 0.751) 16.380 3.227 ( 5.335 -5.755 -0.273) 7.852 3.401 ( 1.395 1.781 5.225) 5.694 3.684 ( -0.934 4.414 -0.059) 4.513 3.768 ( 1.818 -9.004 -0.366) 9.193 3.852 ( 1.400 -1.987 1.806) 3.029 4.055 ( -0.712 -9.815 8.876) 13.252 4.156 ( 9.863 -4.231 4.452) 11.619 4.338 ( -4.112 -5.329 3.170) 7.440 4.478 ( -0.007 -7.419 7.288) 10.399 4.577 ( 0.082 -4.664 7.160) 8.546 4.739 ( -3.305 8.217 2.455) 9.191 4.814 ( 6.128 6.225 -0.590) 8.756 5.032 ( -1.533 -1.529 5.173) 5.608 5.183 ( -1.420 -6.540 4.862) 8.272 5.234 ( -7.535 -0.372 -2.550) 7.963 5.605 ( -4.146 7.120 4.448) 9.363 5.732 ( -1.059 -1.176 -3.265) 3.628 5.887 ( -1.084 4.603 -4.818) 6.751 6.039 ( -0.516 3.133 -6.625) 7.346 6.214 ( -0.625 2.431 -3.238) 4.097 6.481 ( 1.701 -2.528 4.437) 5.382 6.591 ( -0.037 -2.898 0.781) 3.001 6.702 ( 13.219 -5.913 -15.340) 21.096 6.932 ( -2.421 -0.665 -4.988) 5.584 7.077 ( 2.522 4.970 -2.069) 5.945 7.226 ( -1.880 -2.326 -0.358) 3.012 7.788 ( 12.354 -3.102 -2.396) 12.961 8.538 ( -3.748 -1.966 9.233) 10.157 8.872 ( -0.538 -0.787 -1.979) 2.197 9.165 ( 3.551 2.965 -8.244) 9.453 9.407 ( -1.884 3.860 0.507) 4.325 9.960 ( 2.456 15.002 -7.572) 16.984 10.224 ( -0.310 3.606 -3.674) 5.157 10.810 ( -4.498 -3.029 -0.245) 5.428 11.253 ( -2.046 1.338 4.061) 4.740 11.294 ( -1.499 -2.292 -7.772) 8.240 11.486 ( -4.084 -2.501 -7.925) 9.260 11.762 ( -3.762 -3.693 -1.675) 5.532 12.044 ( -11.112 -7.433 2.898) 13.679 12.156 ( -13.135 1.877 5.563) 14.388 12.260 ( -11.076 2.845 -3.325) 11.909 12.592 ( -9.368 1.178 1.486) 9.558 12.794 ( -25.094 -0.286 9.053) 26.678 13.270 ( 24.540 -2.533 -1.325) 24.706 13.606 ( 17.498 -13.668 0.001) 22.203 13.763 ( 9.499 1.989 1.301) 9.792 13.948 ( 13.876 -0.397 -0.375) 13.886 22.019 ( -2.206 11.458 -5.477) 12.890 22.076 ( 3.567 4.177 -9.483) 10.959 22.413 ( -2.015 -2.315 1.626) 3.473 22.671 ( -2.347 -0.146 -2.792) 3.651 22.891 ( -2.327 -0.131 4.732) 5.275 22.969 ( -10.736 -0.367 3.346) 11.251 23.208 ( -10.619 7.701 5.221) 14.119 23.488 ( -3.048 -2.836 -1.026) 4.288 23.681 ( 3.373 3.357 0.671) 4.806 23.711 ( -1.420 1.045 -0.915) 1.987 23.932 ( 0.513 1.435 -0.528) 1.613 24.032 ( -1.086 5.453 4.544) 7.181 24.372 ( 2.904 2.898 1.658) 4.425 24.399 ( 6.046 -2.266 -4.856) 8.079 24.631 ( -7.261 -3.001 5.620) 9.659 25.583 ( 19.407 -12.108 -3.487) 23.139 ======================= Grid point 74 (32/128) ======================= q-point: ( 0.22 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 11.307 20.090 8.367) 24.525 1.787 ( 17.052 6.471 2.445) 18.402 1.872 ( 20.176 7.400 11.324) 24.291 2.282 ( 15.259 3.403 11.599) 19.466 2.464 ( 2.468 3.169 -2.619) 4.795 2.702 ( -0.302 3.301 -3.128) 4.558 2.776 ( 3.398 5.833 3.731) 7.713 2.902 ( 9.816 3.602 -7.416) 12.819 3.181 ( 8.110 4.351 -8.188) 12.319 3.362 ( 6.620 4.051 3.886) 8.679 3.582 ( 9.291 -9.025 4.200) 13.617 3.684 ( -2.552 1.732 3.445) 4.624 3.819 ( 4.418 1.401 -2.390) 5.215 3.863 ( 1.750 -3.382 5.968) 7.079 4.112 ( -4.125 -7.232 5.849) 10.175 4.197 ( -0.530 -6.549 -5.907) 8.836 4.437 ( 8.095 -7.928 4.983) 12.378 4.551 ( 1.236 -4.075 0.137) 4.261 4.619 ( -2.546 -7.481 4.901) 9.298 4.736 ( -0.742 -0.699 2.195) 2.420 4.982 ( 9.413 5.180 6.306) 12.458 5.078 ( -3.816 -0.623 -0.388) 3.886 5.173 ( 2.702 2.518 9.368) 10.069 5.234 ( -0.806 -3.958 6.641) 7.773 5.531 ( -6.615 3.879 0.476) 7.683 5.680 ( -0.867 6.349 -1.376) 6.554 5.851 ( 0.534 2.599 -2.617) 3.727 5.992 ( 5.672 2.923 -8.211) 10.399 6.168 ( -1.348 1.183 -1.396) 2.272 6.482 ( -2.981 -4.125 -1.809) 5.402 6.575 ( 0.596 -2.820 -8.135) 8.630 6.711 ( 1.997 4.171 -8.767) 9.912 6.843 ( 0.345 -2.039 4.525) 4.975 7.138 ( 4.687 4.726 1.318) 6.785 7.202 ( 1.129 -2.561 -3.993) 4.876 7.944 ( 10.292 -2.701 -3.082) 11.078 8.586 ( -5.662 0.410 11.189) 12.547 8.815 ( -0.726 1.449 -5.140) 5.389 9.114 ( 2.537 0.619 -8.105) 8.516 9.388 ( -1.329 1.955 0.484) 2.413 9.982 ( 4.642 8.025 0.090) 9.271 10.185 ( 2.534 2.929 -6.101) 7.226 10.751 ( -6.078 -2.930 4.390) 8.050 11.172 ( -2.547 -1.958 -6.425) 7.183 11.232 ( -1.358 -0.244 -8.313) 8.426 11.311 ( -11.234 -0.769 7.291) 13.415 11.582 ( -11.880 -0.897 -3.783) 12.500 11.906 ( -8.321 -4.861 2.465) 9.947 12.060 ( -5.507 1.729 -3.841) 6.933 12.081 ( -4.631 0.570 0.709) 4.719 12.434 ( -10.193 -0.293 0.652) 10.218 12.510 ( -21.344 -0.917 8.357) 22.940 13.579 ( 14.915 -2.909 0.459) 15.203 13.851 ( 15.267 -8.316 -5.370) 18.195 13.959 ( 10.421 3.155 2.471) 11.164 14.199 ( 14.594 -0.967 0.781) 14.646 21.972 ( 1.274 4.995 -2.094) 5.563 22.035 ( 3.241 4.752 -6.113) 8.394 22.398 ( -2.435 -2.781 1.774) 4.100 22.591 ( -3.518 -0.131 -1.949) 4.024 22.786 ( -14.357 -0.114 7.144) 16.037 22.924 ( -0.636 -3.105 1.704) 3.598 23.193 ( 0.415 9.048 1.412) 9.167 23.396 ( -5.431 -0.491 -1.864) 5.763 23.673 ( -2.422 -0.158 0.055) 2.428 23.738 ( 2.830 4.681 -0.497) 5.493 23.934 ( 0.159 0.696 0.197) 0.740 24.093 ( 0.593 2.517 4.318) 5.034 24.423 ( -0.627 -1.993 1.884) 2.813 24.466 ( 6.116 4.741 -1.558) 7.893 24.594 ( -0.404 -4.165 1.332) 4.391 25.769 ( 10.158 -8.287 -4.089) 13.733 ======================= Grid point 75 (33/128) ======================= q-point: ( 0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 12.793 16.494 9.105) 22.773 2.114 ( 13.805 7.230 5.554) 16.544 2.195 ( 1.428 5.327 9.039) 10.589 2.380 ( -0.311 2.541 -3.476) 4.317 2.625 ( 0.022 5.983 -3.249) 6.809 2.681 ( 15.971 1.854 -4.237) 16.627 2.835 ( 3.221 -2.371 1.209) 4.178 2.991 ( 5.679 3.128 -2.921) 7.111 3.150 ( -1.291 4.476 -0.383) 4.674 3.516 ( 6.138 2.722 -0.793) 6.761 3.623 ( -1.780 -1.574 -1.078) 2.609 3.684 ( 2.154 5.041 0.603) 5.515 3.846 ( 3.111 4.694 -1.148) 5.747 3.972 ( -0.390 0.685 -2.163) 2.302 4.054 ( -4.618 -10.384 -1.493) 11.462 4.259 ( 11.339 -10.606 3.130) 15.838 4.538 ( -1.725 -4.931 2.964) 6.006 4.580 ( 3.918 -8.573 -2.990) 9.889 4.691 ( 7.373 -2.489 0.570) 7.803 4.756 ( -0.943 -6.833 2.967) 7.508 4.949 ( -0.963 -1.755 -6.746) 7.037 5.260 ( -1.079 0.865 10.510) 10.600 5.294 ( 6.374 3.409 3.890) 8.209 5.372 ( 2.193 2.102 11.040) 11.451 5.512 ( 2.746 5.251 4.193) 7.260 5.656 ( -1.540 9.319 -0.091) 9.446 5.811 ( -1.226 -1.913 -1.945) 2.991 5.999 ( 5.689 3.652 -8.404) 10.786 6.140 ( -2.942 1.093 2.263) 3.869 6.357 ( -4.146 -0.398 -6.790) 7.965 6.485 ( -1.139 -0.944 -3.365) 3.676 6.578 ( -2.603 5.537 -6.854) 9.188 7.011 ( 4.369 -5.094 9.048) 11.265 7.138 ( -0.273 -3.235 -5.090) 6.037 7.251 ( 5.583 5.041 -0.067) 7.522 8.046 ( 6.998 -2.122 -3.950) 8.312 8.579 ( -6.029 6.066 1.221) 8.639 8.767 ( -1.558 -2.606 2.709) 4.069 9.068 ( 3.285 -0.824 -6.758) 7.559 9.365 ( -1.471 -0.123 -0.793) 1.676 10.068 ( 3.554 3.549 0.761) 5.079 10.169 ( 3.824 4.382 -4.382) 7.282 10.708 ( -7.520 -2.460 7.192) 10.693 11.057 ( -3.182 -3.797 -5.198) 7.180 11.076 ( -2.953 1.942 -3.869) 5.241 11.295 ( -9.677 1.196 12.367) 15.749 11.356 ( -6.648 0.261 -4.183) 7.859 11.832 ( -1.764 -4.072 -1.311) 4.627 11.937 ( -0.781 0.669 -6.239) 6.323 12.018 ( -3.035 -0.953 -3.148) 4.475 12.284 ( -15.846 -0.906 5.659) 16.850 12.318 ( -6.913 -1.548 3.699) 7.992 13.788 ( 9.294 -3.675 1.143) 10.059 14.000 ( 9.216 -4.729 -2.269) 10.604 14.134 ( 6.347 4.307 2.965) 8.223 14.413 ( 9.767 -1.032 0.551) 9.837 21.986 ( 3.681 1.575 -2.921) 4.956 22.042 ( 2.582 5.129 -0.942) 5.819 22.371 ( -3.648 -2.875 2.176) 5.128 22.518 ( -3.204 0.258 -0.584) 3.267 22.674 ( -8.985 0.104 6.197) 10.915 22.926 ( -0.570 -4.934 0.272) 4.975 23.215 ( 1.070 7.856 -0.323) 7.935 23.288 ( -4.433 2.343 -1.164) 5.148 23.633 ( -2.349 -0.880 -0.186) 2.515 23.767 ( 1.506 4.642 -0.193) 4.884 23.942 ( 0.073 0.196 0.676) 0.708 24.138 ( 0.059 1.568 1.998) 2.540 24.384 ( -4.479 -1.135 0.542) 4.652 24.531 ( 4.742 4.997 -3.568) 7.758 24.670 ( 4.530 -4.848 3.506) 7.504 25.847 ( 5.941 -5.844 -4.305) 9.380 ======================= Grid point 76 (34/128) ======================= q-point: (-0.56 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -0.399 17.060 5.666) 17.981 2.136 ( -6.016 6.041 -6.519) 10.733 2.185 ( -1.648 5.461 -0.896) 5.774 2.485 ( 7.581 1.935 4.079) 8.824 2.597 ( -1.746 6.430 0.095) 6.663 2.784 ( 7.687 6.100 -4.597) 10.836 2.878 ( 1.913 -1.713 -2.982) 3.936 3.052 ( 2.887 -2.773 1.697) 4.348 3.198 ( -0.283 2.286 8.233) 8.549 3.468 ( 0.199 -2.262 -7.535) 7.870 3.656 ( -0.095 -0.590 1.950) 2.040 3.752 ( 5.125 3.962 -2.875) 7.087 3.835 ( -0.249 13.101 0.291) 13.106 3.931 ( 0.162 -5.998 -3.408) 6.900 4.049 ( 2.192 -2.933 3.712) 5.214 4.431 ( 5.980 -10.773 -0.646) 12.339 4.534 ( -2.209 -5.410 -0.190) 5.847 4.576 ( -0.151 -10.149 -1.228) 10.224 4.723 ( -2.226 2.411 0.077) 3.283 4.825 ( 3.672 -12.172 -1.421) 12.793 4.889 ( 4.632 -0.522 -5.490) 7.202 5.266 ( -3.054 0.305 0.555) 3.119 5.362 ( -5.667 2.796 2.249) 6.707 5.446 ( -5.341 1.919 1.129) 5.787 5.600 ( -0.926 12.661 -4.322) 13.410 5.658 ( -0.031 10.406 5.839) 11.932 5.790 ( 0.587 -3.244 -0.692) 3.369 5.993 ( 4.257 -2.508 -1.035) 5.048 6.125 ( -0.822 0.877 4.324) 4.488 6.322 ( 5.569 3.553 -0.781) 6.652 6.450 ( 0.955 0.585 0.085) 1.123 6.528 ( 1.547 3.776 -0.066) 4.081 6.997 ( -4.003 -4.068 -6.491) 8.643 7.202 ( 3.004 -4.766 5.618) 7.956 7.300 ( 1.753 4.733 -2.542) 5.651 8.074 ( 3.591 -1.648 -6.055) 7.230 8.440 ( -4.427 4.848 -7.391) 9.886 8.818 ( -1.483 -2.707 8.241) 8.800 9.068 ( 4.956 -1.188 -4.678) 6.918 9.325 ( -0.903 -0.914 -2.030) 2.402 10.095 ( 2.073 2.061 -2.920) 4.132 10.200 ( 2.077 6.111 -0.303) 6.462 10.693 ( -5.279 -2.221 8.686) 10.404 10.982 ( -3.433 1.971 -0.006) 3.958 11.042 ( 1.314 2.026 0.839) 2.556 11.210 ( -3.601 -3.555 1.807) 5.373 11.377 ( -1.229 0.547 10.341) 10.428 11.805 ( 2.436 -3.786 -4.467) 6.342 11.874 ( 3.301 -0.447 -9.686) 10.243 11.928 ( -1.124 -1.279 -3.251) 3.670 12.098 ( -11.436 -0.189 1.327) 11.514 12.311 ( -2.528 -2.064 6.758) 7.505 13.904 ( 2.669 -3.951 1.490) 4.995 14.122 ( 5.460 -3.856 2.783) 7.241 14.230 ( 0.478 4.849 3.329) 5.901 14.521 ( 2.850 -0.897 -0.229) 2.997 22.019 ( 4.099 1.283 -2.586) 5.014 22.080 ( 1.284 4.715 1.390) 5.081 22.340 ( -3.426 -2.433 2.887) 5.098 22.481 ( -1.096 0.739 0.792) 1.541 22.631 ( -5.446 0.269 5.942) 8.064 22.906 ( -0.603 -5.089 -1.963) 5.488 23.223 ( 1.261 5.874 -0.939) 6.081 23.241 ( -1.311 3.975 1.146) 4.340 23.594 ( -1.029 -1.652 -1.482) 2.447 23.790 ( 0.783 4.763 0.927) 4.915 23.951 ( -0.219 0.284 0.995) 1.058 24.136 ( -1.261 0.869 -0.893) 1.772 24.326 ( -1.731 -0.738 -0.849) 2.065 24.528 ( 1.937 2.937 -5.967) 6.927 24.780 ( 1.243 -3.016 5.843) 6.692 25.868 ( 3.659 -4.983 -5.175) 8.062 ======================= Grid point 77 (35/128) ======================= q-point: (-0.44 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -15.242 5.763 -10.574) 19.425 1.896 ( -12.890 18.851 -5.500) 23.490 2.267 ( -1.499 9.955 6.011) 11.725 2.545 ( -2.903 3.695 0.875) 4.780 2.593 ( 3.181 -0.071 0.500) 3.221 2.854 ( -1.867 9.156 5.975) 11.091 2.939 ( 5.817 -1.512 -2.791) 6.627 3.029 ( -3.377 -4.437 -1.260) 5.716 3.290 ( 2.489 -0.847 1.316) 2.940 3.429 ( 4.701 0.660 -4.017) 6.219 3.617 ( -5.865 7.939 -1.451) 9.976 3.774 ( 0.384 0.056 1.882) 1.921 3.858 ( -2.714 7.072 0.854) 7.623 3.898 ( 0.952 -10.061 -3.913) 10.837 4.099 ( -4.409 -2.748 1.460) 5.397 4.352 ( -6.186 -0.901 -5.305) 8.199 4.520 ( -2.694 -9.985 -1.647) 10.473 4.555 ( 0.841 -5.832 0.691) 5.933 4.678 ( -2.873 0.155 -1.434) 3.215 4.786 ( -3.377 -10.462 -1.673) 11.120 4.943 ( 6.915 0.167 -7.940) 10.530 5.155 ( -9.048 0.317 -2.104) 9.295 5.251 ( -8.680 1.481 5.350) 10.303 5.287 ( -7.896 -0.188 -3.729) 8.734 5.473 ( -4.013 7.022 -3.360) 8.758 5.700 ( -1.318 12.936 4.192) 13.662 5.807 ( 3.389 0.770 -2.043) 4.031 6.102 ( 3.202 -6.342 7.070) 10.023 6.229 ( 1.869 2.386 3.536) 4.657 6.406 ( 4.667 -1.584 1.291) 5.095 6.585 ( 3.314 0.309 1.091) 3.502 6.602 ( 13.436 4.652 2.402) 14.420 6.840 ( -4.243 -1.066 -5.442) 6.983 7.228 ( -2.598 3.092 -3.510) 5.350 7.293 ( 0.125 -2.961 1.905) 3.523 8.019 ( 1.131 -1.424 -9.278) 9.454 8.303 ( -0.645 2.102 -6.852) 7.196 8.886 ( -0.664 -3.880 4.937) 6.315 9.108 ( 5.764 0.045 -4.126) 7.089 9.305 ( 0.734 0.477 -0.108) 0.882 10.084 ( 0.179 4.005 -1.491) 4.277 10.215 ( 1.777 7.211 -2.249) 7.760 10.751 ( -1.574 -1.905 9.932) 10.235 10.918 ( -4.484 3.702 0.995) 5.899 11.144 ( 6.939 1.086 4.811) 8.513 11.259 ( 3.522 -4.878 4.506) 7.517 11.532 ( 3.118 -0.900 12.372) 12.791 11.795 ( 4.245 -3.229 -6.777) 8.624 11.801 ( 4.771 -1.072 -11.531) 12.525 11.899 ( -2.291 -2.862 -3.259) 4.905 11.974 ( -0.594 2.340 -0.087) 2.415 12.377 ( 0.757 -1.889 5.836) 6.181 13.916 ( -4.114 -3.315 2.747) 5.955 14.223 ( -3.949 2.461 2.483) 5.274 14.247 ( 0.058 -4.020 7.423) 8.442 14.501 ( -4.220 -0.424 -0.934) 4.343 22.036 ( -0.182 2.505 -0.337) 2.534 22.133 ( 4.431 5.373 0.359) 6.974 22.336 ( -1.870 -1.547 3.718) 4.439 22.505 ( 1.496 0.155 2.260) 2.714 22.629 ( -3.685 1.020 6.020) 7.132 22.872 ( 0.072 -3.688 -2.266) 4.329 23.192 ( -0.924 9.733 -3.549) 10.401 23.303 ( 3.027 -2.117 4.461) 5.792 23.568 ( 1.287 -2.197 -2.842) 3.816 23.812 ( -0.246 5.098 1.423) 5.298 23.954 ( -0.704 0.663 0.613) 1.145 24.077 ( -2.258 0.371 -3.352) 4.059 24.310 ( 0.745 -0.754 -0.931) 1.410 24.462 ( -0.246 1.443 -6.498) 6.661 24.840 ( -3.199 -1.573 6.774) 7.654 25.847 ( 2.314 -5.741 -6.406) 8.908 ======================= Grid point 78 (36/128) ======================= q-point: (-0.33 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -18.477 8.493 -9.161) 22.304 1.583 ( -17.364 24.440 -4.097) 30.259 2.277 ( -7.928 7.161 11.731) 15.867 2.506 ( -12.261 2.230 1.491) 12.551 2.596 ( 1.480 6.663 -3.941) 7.882 2.754 ( -15.324 -9.693 1.187) 18.171 2.914 ( 0.325 7.831 7.029) 10.528 3.084 ( 7.785 3.241 -7.390) 11.213 3.304 ( -0.953 -1.676 -4.519) 4.913 3.383 ( -15.538 10.961 -4.776) 19.606 3.482 ( 4.870 -1.014 -5.512) 7.424 3.611 ( -18.278 -5.537 -2.945) 19.324 3.798 ( -1.848 1.599 -1.989) 3.151 3.915 ( -6.816 -0.937 -0.973) 6.948 3.931 ( -0.002 -4.832 1.523) 5.067 4.294 ( 0.409 3.253 -0.622) 3.337 4.425 ( -6.131 -8.557 -7.502) 12.926 4.458 ( -8.044 -6.771 -5.335) 11.790 4.601 ( -5.802 -8.229 2.995) 10.504 4.702 ( -3.293 2.674 -1.300) 4.437 4.930 ( 1.479 -5.368 -3.156) 6.400 4.994 ( -6.121 2.550 -0.246) 6.636 5.119 ( -4.721 -2.071 -1.699) 5.428 5.305 ( -1.226 4.334 8.593) 9.702 5.444 ( 1.409 4.069 0.736) 4.369 5.736 ( 1.433 6.543 3.219) 7.432 5.856 ( 4.365 4.653 -0.577) 6.406 6.200 ( -2.592 -2.909 2.825) 4.813 6.271 ( 0.485 -3.447 5.810) 6.773 6.450 ( -0.548 -2.740 -1.907) 3.383 6.577 ( -0.452 -0.538 -4.361) 4.417 6.848 ( 12.691 -3.706 -1.493) 13.305 6.858 ( 6.750 2.094 4.602) 8.434 7.122 ( -3.872 3.805 -2.871) 6.141 7.325 ( 1.425 -0.908 2.463) 2.987 7.895 ( 0.035 -1.999 -12.613) 12.770 8.269 ( 3.283 -0.104 -2.719) 4.264 8.900 ( -1.089 -6.868 -0.399) 6.965 9.145 ( 5.606 3.138 -5.150) 8.234 9.351 ( 1.498 2.615 3.660) 4.741 10.081 ( -0.172 10.777 2.143) 10.989 10.208 ( 3.103 6.853 -5.515) 9.327 10.862 ( -3.537 -2.117 10.705) 11.472 10.874 ( 0.617 2.967 1.364) 3.323 11.352 ( 5.179 -0.449 7.826) 9.396 11.418 ( 12.792 -3.665 2.533) 13.546 11.688 ( 1.043 -4.442 0.954) 4.662 11.748 ( -1.638 -2.742 -6.132) 6.915 11.778 ( 5.683 -0.404 -10.168) 11.656 11.885 ( 10.574 0.864 3.983) 11.332 12.051 ( 8.433 1.354 -0.852) 8.583 12.464 ( 2.609 -1.768 3.603) 4.787 13.838 ( -10.590 -2.923 4.259) 11.783 14.121 ( -10.292 3.259 1.553) 10.907 14.285 ( -7.971 -7.654 1.899) 11.213 14.413 ( -6.224 -3.157 7.198) 10.026 22.026 ( -0.428 6.202 0.655) 6.251 22.230 ( 7.558 6.372 -1.102) 9.946 22.369 ( -0.374 0.027 4.817) 4.832 22.567 ( 0.300 -2.066 4.822) 5.255 22.661 ( -0.455 2.356 5.522) 6.020 22.864 ( 0.239 -1.866 0.417) 1.927 23.116 ( -1.482 10.036 -5.392) 11.489 23.413 ( 3.170 -4.193 4.147) 6.695 23.574 ( 4.060 -2.356 -3.338) 5.760 23.793 ( -3.080 4.506 -1.251) 5.600 23.942 ( -0.499 0.181 -0.412) 0.672 24.004 ( -1.956 1.497 -2.349) 3.404 24.314 ( 1.240 -1.215 -1.580) 2.348 24.387 ( -0.028 1.037 -4.546) 4.663 24.845 ( -6.661 -0.704 7.825) 10.300 25.789 ( 1.077 -8.462 -8.268) 11.879 ======================= Grid point 79 (37/128) ======================= q-point: (-0.22 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -21.165 13.292 2.275) 25.096 1.247 ( -19.502 26.824 -1.107) 33.183 1.996 ( -39.685 16.226 -1.716) 42.908 2.324 ( -7.791 2.062 16.307) 18.190 2.593 ( -10.168 -4.621 2.076) 11.360 2.620 ( 1.164 0.467 -1.762) 2.163 2.934 ( -13.619 10.325 -4.411) 17.651 3.038 ( -14.588 -3.302 -7.947) 16.937 3.059 ( 0.460 3.272 -4.960) 5.960 3.109 ( -4.034 0.476 0.631) 4.111 3.296 ( -2.312 -3.253 -8.157) 9.081 3.594 ( 5.459 -0.537 -0.518) 5.509 3.735 ( -4.240 -0.340 -1.747) 4.598 3.802 ( -3.316 -2.673 -2.144) 4.768 3.950 ( -3.315 -1.431 0.081) 3.611 4.096 ( -9.954 2.894 -5.521) 11.745 4.291 ( 0.245 -1.534 -1.817) 2.391 4.411 ( -0.541 -5.533 1.119) 5.671 4.521 ( -7.413 -5.947 2.092) 9.731 4.623 ( -3.711 4.027 -1.628) 5.712 4.901 ( -2.154 -2.403 -1.020) 3.384 4.983 ( 2.181 -6.193 2.205) 6.926 5.064 ( -2.773 -2.086 1.800) 3.909 5.359 ( -1.953 10.072 4.116) 11.055 5.488 ( 0.359 3.728 3.538) 5.152 5.809 ( 1.867 0.363 1.638) 2.510 5.941 ( 4.930 2.883 0.487) 5.732 6.174 ( -1.633 -1.920 2.941) 3.873 6.284 ( -3.534 1.055 -0.053) 3.688 6.415 ( -0.119 -1.642 -0.855) 1.855 6.556 ( 1.408 -4.267 -0.651) 4.540 6.924 ( 3.960 -5.986 -10.412) 12.646 6.997 ( 2.560 1.838 1.811) 3.635 7.108 ( 2.489 -6.730 4.706) 8.581 7.396 ( 1.211 -0.891 2.590) 2.995 7.724 ( -0.341 -3.025 -14.954) 15.261 8.329 ( 4.161 -1.781 1.491) 4.765 8.859 ( -1.380 -8.576 -1.571) 8.827 9.174 ( 5.634 6.140 -5.462) 9.964 9.416 ( 0.294 4.378 3.986) 5.928 10.159 ( 8.092 22.895 -3.912) 24.596 10.205 ( 4.204 6.010 1.000) 7.402 10.864 ( -3.387 0.615 7.856) 8.577 10.995 ( 2.006 -0.359 7.209) 7.492 11.479 ( 2.441 -2.414 3.656) 5.015 11.594 ( -2.465 -4.984 -9.220) 10.767 11.615 ( 4.357 -3.203 -4.031) 6.745 11.736 ( 7.109 -0.069 -11.219) 13.282 11.814 ( 12.259 1.551 5.650) 13.588 12.200 ( 12.548 0.177 5.052) 13.528 12.220 ( 16.327 0.318 0.686) 16.344 12.543 ( 3.112 -1.712 1.508) 3.859 13.668 ( -16.876 -2.935 5.115) 17.877 13.934 ( -13.269 1.069 0.355) 13.317 14.065 ( -14.623 -3.685 -2.895) 15.356 14.418 ( -12.744 -17.349 13.100) 25.200 22.057 ( 3.784 9.694 -0.019) 10.406 22.333 ( 8.574 6.106 -5.180) 11.732 22.434 ( 2.022 5.187 2.056) 5.935 22.658 ( 0.837 -3.423 11.021) 11.571 22.749 ( 3.390 4.462 5.548) 7.886 22.880 ( -3.169 0.189 5.353) 6.224 23.049 ( 1.773 11.187 -1.324) 11.404 23.491 ( 2.215 -5.631 1.549) 6.246 23.613 ( 4.340 -2.759 -3.492) 6.217 23.689 ( -3.756 1.110 -3.825) 5.475 23.932 ( -0.420 2.764 -1.227) 3.053 23.965 ( -0.765 2.138 0.463) 2.317 24.304 ( 0.217 -1.325 -1.714) 2.178 24.364 ( 1.995 0.659 -2.548) 3.303 24.818 ( -8.706 -0.319 8.894) 12.449 25.653 ( -3.534 -13.745 -13.592) 19.651 ======================= Grid point 80 (38/128) ======================= q-point: (-0.11 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -23.729 13.090 14.874) 30.914 0.869 ( -22.138 21.366 6.326) 31.410 1.460 ( -27.641 38.667 17.180) 50.540 2.296 ( -16.604 1.604 -11.350) 20.176 2.386 ( -7.095 -5.059 8.297) 12.032 2.488 ( -10.339 1.138 -2.974) 10.819 2.719 ( -3.369 0.742 -2.064) 4.020 2.799 ( -7.561 -0.025 4.045) 8.575 2.942 ( -0.490 3.834 -9.551) 10.303 3.222 ( 4.938 -4.910 -5.097) 8.630 3.256 ( 1.799 -3.254 6.201) 7.231 3.573 ( -3.215 3.033 -2.936) 5.306 3.650 ( 2.756 -4.004 0.501) 4.887 3.782 ( 1.304 0.053 -1.779) 2.207 3.891 ( -1.706 0.373 -1.900) 2.581 4.025 ( -2.770 3.345 4.730) 6.421 4.286 ( 0.031 -2.520 4.191) 4.890 4.401 ( -3.205 -3.832 2.167) 5.445 4.461 ( -0.588 -0.675 0.547) 1.049 4.585 ( 0.996 5.363 0.600) 5.488 4.848 ( -4.740 1.660 1.583) 5.266 5.061 ( 2.733 -7.561 1.945) 8.271 5.069 ( -2.707 -2.965 7.056) 8.118 5.364 ( 2.446 11.422 -1.850) 11.826 5.538 ( -2.088 3.495 6.944) 8.049 5.836 ( 0.285 -1.290 0.557) 1.434 5.974 ( 3.003 -0.195 -4.751) 5.624 6.183 ( -3.021 -0.761 3.066) 4.371 6.312 ( 5.255 1.986 4.360) 7.111 6.388 ( -0.357 0.402 -2.735) 2.787 6.582 ( 0.855 -5.385 0.698) 5.497 6.752 ( -8.315 -9.099 -16.051) 20.238 7.025 ( 2.050 -2.738 -1.431) 3.708 7.131 ( -4.078 -5.479 -4.470) 8.163 7.367 ( -5.956 -1.451 2.904) 6.783 7.583 ( 2.521 -3.507 -7.545) 8.694 8.419 ( 2.059 -2.477 4.139) 5.244 8.847 ( -0.428 -8.577 2.328) 8.898 9.193 ( 5.410 7.564 -6.604) 11.405 9.447 ( -1.276 5.026 2.442) 5.732 10.152 ( 7.791 10.939 -13.685) 19.174 10.397 ( 10.382 20.982 -6.936) 24.416 11.031 ( 2.794 -1.159 7.332) 7.931 11.121 ( 6.157 1.213 12.264) 13.776 11.433 ( -0.533 -4.780 0.591) 4.846 11.532 ( 5.855 -1.278 -3.753) 7.071 11.621 ( 2.289 -3.710 -3.012) 5.298 11.744 ( 7.601 4.190 -4.171) 9.629 12.109 ( 11.996 1.141 4.566) 12.886 12.374 ( 9.239 1.687 -2.007) 9.604 12.562 ( 14.917 -2.131 2.558) 15.284 12.609 ( 5.477 -1.091 0.684) 5.626 13.401 ( -23.389 -2.477 5.387) 24.129 13.709 ( -14.836 -7.688 0.654) 16.723 13.787 ( -14.584 -1.938 -0.675) 14.727 14.178 ( -32.421 -23.875 6.442) 40.775 22.123 ( 6.311 6.669 -4.895) 10.405 22.358 ( 5.078 10.789 -11.962) 16.891 22.447 ( -0.746 1.607 -0.376) 1.811 22.729 ( 0.130 1.522 -1.257) 1.979 22.861 ( 0.692 5.494 1.263) 5.680 22.924 ( 2.743 3.088 3.540) 5.440 23.447 ( 24.073 3.091 26.691) 36.076 23.532 ( 0.766 -4.011 2.358) 4.715 23.565 ( 0.913 -5.167 -2.794) 5.944 23.670 ( 2.207 -0.773 -2.113) 3.151 23.909 ( 1.217 5.723 -2.270) 6.276 24.010 ( 5.479 2.549 6.095) 8.583 24.295 ( 0.109 -1.463 0.574) 1.576 24.372 ( 3.051 0.003 -3.312) 4.503 24.754 ( -13.170 -1.637 6.040) 14.581 25.239 ( -21.166 -10.980 -20.611) 31.518 ======================= Grid point 81 (39/128) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 6.205 18.440 9.136) 21.494 1.377 ( -1.291 20.947 19.185) 28.435 1.864 ( -3.912 -4.079 -10.632) 12.041 2.194 ( -9.765 21.765 7.840) 25.110 2.426 ( 6.969 -0.650 6.876) 9.812 2.488 ( 2.896 14.694 4.327) 15.589 2.642 ( 1.215 -5.743 2.101) 6.235 2.833 ( 1.771 3.192 3.117) 4.800 2.912 ( 1.437 3.272 -7.304) 8.132 3.137 ( 2.101 1.079 -6.702) 7.106 3.337 ( 1.228 1.117 6.708) 6.910 3.533 ( 1.416 -6.194 -2.578) 6.857 3.636 ( 4.466 -5.206 0.566) 6.882 3.738 ( -2.879 -2.895 7.759) 8.768 3.967 ( 4.929 2.347 2.543) 6.022 4.062 ( -5.973 3.813 3.218) 7.782 4.257 ( -1.926 -2.135 -1.078) 3.070 4.385 ( -2.363 -3.539 1.192) 4.419 4.490 ( -2.492 3.266 6.718) 7.874 4.793 ( 4.437 1.570 6.099) 7.704 4.828 ( -0.013 -4.186 4.691) 6.287 4.912 ( -4.334 -1.140 2.151) 4.971 5.032 ( -1.232 -3.531 1.588) 4.063 5.462 ( -3.693 4.519 -5.203) 7.819 5.749 ( -1.725 -2.348 -3.578) 4.614 5.768 ( -1.924 10.527 5.325) 11.953 6.028 ( 1.707 4.507 -2.162) 5.282 6.122 ( -4.635 -4.389 -1.265) 6.507 6.259 ( 5.491 -11.493 -4.181) 13.406 6.356 ( 6.425 -3.377 -2.253) 7.600 6.445 ( 1.558 -1.809 -1.450) 2.794 6.515 ( -0.592 -2.443 1.296) 2.828 7.011 ( 0.476 1.523 -1.967) 2.533 7.062 ( 3.248 0.692 -4.751) 5.796 7.275 ( -5.867 -1.405 1.820) 6.301 7.527 ( 8.155 -6.573 -0.608) 10.492 8.446 ( 0.020 -1.011 5.233) 5.330 8.717 ( 1.312 -8.377 3.871) 9.321 9.353 ( 3.520 8.456 -7.596) 11.899 9.536 ( -0.815 4.225 -1.665) 4.614 10.270 ( 3.322 7.944 -7.656) 11.522 10.599 ( -3.284 12.834 -10.486) 16.895 10.862 ( -6.691 -2.918 -8.634) 11.307 11.215 ( 0.172 -2.385 3.772) 4.466 11.333 ( 0.273 -3.055 -5.028) 5.889 11.512 ( 1.990 -5.428 -4.089) 7.081 11.692 ( 4.891 -1.781 -1.627) 5.453 11.922 ( 6.931 -5.317 -1.729) 8.905 12.319 ( -5.976 1.805 7.178) 9.513 12.461 ( -7.948 -1.076 2.185) 8.313 12.641 ( 10.816 2.680 1.787) 11.285 12.834 ( 17.986 -1.054 -2.008) 18.129 13.077 ( -19.494 0.504 6.938) 20.697 13.238 ( -14.958 -6.703 11.870) 20.238 13.697 ( 0.059 2.116 -0.138) 2.121 13.814 ( -0.246 -1.393 -1.443) 2.021 22.156 ( 0.477 1.837 -4.478) 4.864 22.360 ( -1.454 -3.426 0.755) 3.798 22.488 ( -1.418 10.395 -13.366) 16.991 22.752 ( -0.786 2.486 -4.263) 4.998 22.910 ( -2.930 1.431 3.023) 4.446 23.095 ( -2.415 3.645 0.750) 4.436 23.327 ( -1.668 -5.883 -0.869) 6.177 23.437 ( 1.803 -3.899 -0.408) 4.316 23.683 ( 0.048 1.653 2.130) 2.696 23.743 ( 0.226 -0.395 2.604) 2.644 24.010 ( 0.251 4.777 -2.300) 5.308 24.225 ( -5.451 2.133 0.319) 5.862 24.324 ( 4.823 -3.287 -3.019) 6.571 24.395 ( 6.548 1.269 0.879) 6.728 24.551 ( -6.525 1.778 6.059) 9.080 25.014 ( 8.154 -7.714 5.213) 12.376 ======================= Grid point 82 (40/128) ======================= q-point: ( 0.11 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 25.644 10.601 6.389) 28.475 1.636 ( 4.525 17.792 18.282) 25.909 1.771 ( 10.625 4.519 -11.372) 16.206 2.219 ( 0.368 11.419 8.432) 14.199 2.556 ( -1.468 5.719 3.799) 7.021 2.694 ( 12.647 6.213 4.967) 14.940 2.792 ( 0.275 2.675 -7.441) 7.912 2.879 ( 19.426 3.829 6.481) 20.833 3.066 ( 14.175 3.820 3.424) 15.075 3.136 ( 3.602 1.681 -0.514) 4.008 3.412 ( 0.161 -2.802 2.818) 3.977 3.514 ( 1.134 -11.669 -2.743) 12.040 3.707 ( 1.094 -2.337 1.880) 3.193 3.844 ( 6.273 1.003 5.838) 8.627 4.004 ( -5.306 2.713 8.648) 10.502 4.119 ( 3.075 0.235 0.285) 3.097 4.197 ( -1.515 -7.298 0.654) 7.482 4.368 ( -4.051 -3.880 4.365) 7.108 4.527 ( -2.509 -1.148 6.077) 6.674 4.794 ( -7.774 -2.412 3.083) 8.704 4.904 ( 0.574 -6.155 7.863) 10.002 4.954 ( 2.546 -0.591 4.867) 5.524 5.071 ( 4.501 2.674 1.142) 5.359 5.316 ( -3.814 5.989 -6.638) 9.720 5.685 ( 0.380 -1.139 -5.978) 6.098 5.780 ( -4.416 6.527 4.614) 9.132 6.013 ( 1.755 1.835 -3.048) 3.967 6.037 ( -1.871 3.086 -3.703) 5.171 6.226 ( -1.571 -2.340 -2.915) 4.055 6.430 ( -0.302 -2.495 1.369) 2.862 6.503 ( 4.206 -4.613 -3.436) 7.126 6.574 ( 10.367 -6.372 -0.740) 12.191 6.946 ( -1.067 1.716 -6.061) 6.389 7.129 ( 5.102 -2.446 -1.775) 5.930 7.206 ( -2.095 3.728 0.841) 4.358 7.686 ( 10.953 -7.205 -0.866) 13.139 8.511 ( -1.482 -0.035 7.939) 8.076 8.784 ( 1.361 -6.439 2.732) 7.126 9.294 ( 1.226 7.897 -8.685) 11.802 9.490 ( -1.658 3.466 -2.361) 4.509 10.225 ( 3.685 9.803 -9.081) 13.862 10.393 ( -5.950 14.289 -6.509) 16.792 10.726 ( -3.757 -5.399 -1.491) 6.744 11.197 ( -3.752 -7.166 -2.616) 8.501 11.298 ( 1.468 1.820 -2.033) 3.098 11.431 ( -1.044 -2.367 -10.944) 11.246 11.674 ( -4.488 -3.951 0.049) 5.980 11.896 ( -8.136 -7.125 2.570) 11.116 12.205 ( -12.482 2.795 5.465) 13.910 12.298 ( -9.667 1.024 -2.632) 10.071 12.624 ( -13.267 1.952 3.452) 13.847 12.776 ( -25.349 -1.680 8.045) 26.648 13.217 ( 23.862 -2.152 -1.221) 23.990 13.377 ( 15.080 -8.478 3.816) 17.716 13.810 ( 11.048 2.565 1.021) 11.388 13.931 ( 13.385 -1.256 -0.440) 13.451 22.101 ( -0.158 2.809 -4.600) 5.392 22.297 ( -1.620 11.189 -10.744) 15.596 22.347 ( -1.727 -4.129 0.418) 4.495 22.661 ( -2.659 -1.356 -5.048) 5.865 22.902 ( -3.760 1.305 3.658) 5.406 22.973 ( -10.334 0.478 0.017) 10.345 23.319 ( -0.180 3.177 2.217) 3.878 23.451 ( -1.276 -1.048 0.213) 1.665 23.713 ( -0.771 1.349 0.968) 1.831 23.760 ( 1.569 2.190 2.079) 3.403 23.979 ( -0.646 3.123 -1.772) 3.648 24.136 ( -5.010 3.463 3.779) 7.167 24.336 ( 2.611 -2.676 -3.432) 5.075 24.485 ( 5.743 5.304 -0.085) 7.818 24.565 ( -4.739 -0.504 6.370) 7.955 25.311 ( 16.948 -14.319 1.776) 22.258 ======================= Grid point 83 (41/128) ======================= q-point: ( 0.22 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 12.778 11.708 3.849) 17.753 1.941 ( 12.665 7.594 8.233) 16.908 2.050 ( 23.155 10.242 5.738) 25.961 2.370 ( 6.734 4.509 4.901) 9.471 2.564 ( 0.927 6.085 -0.948) 6.227 2.729 ( 0.614 2.574 -3.968) 4.769 2.913 ( 11.655 0.448 -4.536) 12.515 3.074 ( 0.572 17.552 1.003) 17.590 3.298 ( 12.851 3.792 -3.727) 13.907 3.381 ( 9.713 -1.176 2.163) 10.020 3.391 ( 1.402 -7.086 2.963) 7.808 3.582 ( 4.774 -17.603 6.278) 19.289 3.758 ( 3.688 4.470 1.990) 6.127 3.938 ( 0.249 5.618 -0.685) 5.665 4.060 ( 0.299 -3.129 -5.684) 6.496 4.128 ( 4.336 4.455 5.122) 8.055 4.272 ( 3.269 -9.294 8.048) 12.722 4.362 ( -3.886 -7.761 5.292) 10.165 4.511 ( -6.086 -5.609 3.415) 8.953 4.741 ( -2.792 -0.665 3.306) 4.378 5.033 ( 1.695 -3.863 5.129) 6.640 5.096 ( 4.548 -4.647 9.771) 11.737 5.161 ( 6.217 7.462 -0.742) 9.740 5.240 ( 1.746 3.704 2.283) 4.688 5.584 ( -4.047 1.279 -4.608) 6.265 5.727 ( -2.898 -0.227 -3.300) 4.398 5.972 ( -0.073 2.266 -1.470) 2.702 6.063 ( 5.906 8.776 -2.317) 10.829 6.172 ( -2.684 -1.062 0.154) 2.891 6.418 ( -0.620 -1.868 -1.380) 2.404 6.518 ( 2.542 -2.316 -4.864) 5.957 6.720 ( 7.266 -4.449 -0.365) 8.527 6.843 ( -2.275 3.038 -4.595) 5.960 7.113 ( -0.878 -4.893 -3.325) 5.981 7.273 ( 5.948 7.395 0.845) 9.528 7.842 ( 9.636 -7.740 -1.891) 12.503 8.594 ( -1.564 1.106 9.956) 10.139 8.809 ( 0.090 -2.588 -1.337) 2.915 9.187 ( -0.734 6.292 -9.361) 11.303 9.427 ( -2.292 1.235 -2.699) 3.751 10.190 ( 2.118 11.850 -3.913) 12.658 10.285 ( -0.552 7.793 -3.222) 8.451 10.671 ( -4.914 -5.041 3.639) 7.925 11.062 ( -4.161 -8.869 -7.819) 12.534 11.253 ( -3.398 1.647 -8.864) 9.635 11.306 ( -2.207 0.235 3.248) 3.934 11.557 ( -9.826 -1.146 0.259) 9.896 11.792 ( -7.408 -6.307 2.864) 10.142 12.091 ( -6.489 1.574 0.351) 6.686 12.107 ( -7.157 1.724 -4.498) 8.627 12.424 ( -13.754 -0.627 2.466) 13.988 12.479 ( -21.190 -2.135 7.866) 22.703 13.523 ( 15.142 -2.233 -0.251) 15.308 13.676 ( 16.629 -8.093 -0.996) 18.520 14.028 ( 11.705 3.452 2.269) 12.413 14.173 ( 14.166 -1.596 0.836) 14.280 22.051 ( 0.371 3.752 -3.501) 5.145 22.190 ( 0.573 8.982 -5.447) 10.521 22.326 ( -2.055 -4.260 1.016) 4.838 22.563 ( -2.766 -2.763 -3.175) 5.036 22.798 ( -10.675 1.292 2.846) 11.123 22.883 ( -3.415 -1.321 1.187) 3.850 23.359 ( 2.142 6.754 0.878) 7.140 23.401 ( -4.775 1.256 0.588) 4.972 23.681 ( -3.052 1.466 0.356) 3.404 23.820 ( 2.979 2.748 -0.385) 4.071 23.954 ( -0.458 1.416 -0.712) 1.650 24.147 ( -1.426 1.962 5.112) 5.658 24.348 ( 2.505 -4.826 -1.177) 5.563 24.475 ( -3.459 -5.234 -0.683) 6.311 24.657 ( 6.498 12.350 2.763) 14.226 25.551 ( 11.490 -13.068 -0.818) 17.420 ======================= Grid point 84 (42/128) ======================= q-point: ( 0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 9.811 9.555 5.348) 14.703 2.275 ( 13.953 6.496 9.104) 17.882 2.340 ( 1.828 8.744 3.725) 9.679 2.511 ( 2.299 7.468 1.380) 7.934 2.636 ( 15.770 2.404 -4.233) 16.504 2.676 ( -2.047 0.354 -4.530) 4.984 2.972 ( 3.474 4.246 -3.392) 6.451 3.111 ( 4.678 13.313 -2.742) 14.375 3.299 ( -3.797 7.076 2.631) 8.450 3.437 ( 4.153 -4.529 -1.997) 6.461 3.531 ( 0.071 -5.420 3.081) 6.235 3.681 ( -1.389 -18.623 1.690) 18.751 3.858 ( 4.491 5.523 -2.419) 7.518 3.943 ( 7.043 3.349 -4.873) 9.196 4.049 ( 2.810 -2.417 -1.752) 4.100 4.178 ( 8.150 4.307 -6.046) 11.025 4.354 ( -3.301 -9.441 4.700) 11.051 4.381 ( -0.919 -9.056 -0.685) 9.128 4.576 ( 1.421 -2.050 15.061) 15.267 4.755 ( -0.763 0.291 2.610) 2.734 4.996 ( 0.777 4.838 -6.563) 8.190 5.291 ( 0.936 -1.110 5.035) 5.240 5.333 ( 2.620 -2.085 8.466) 9.104 5.385 ( 8.100 3.718 7.188) 11.450 5.541 ( 4.234 -1.018 2.976) 5.275 5.637 ( -0.717 -5.112 -3.512) 6.243 5.966 ( 0.568 7.617 -2.287) 7.973 6.098 ( 0.622 8.275 -3.259) 8.915 6.136 ( -2.740 -1.559 0.156) 3.156 6.376 ( -0.257 3.190 -2.597) 4.121 6.487 ( 1.418 1.031 -4.101) 4.459 6.688 ( -0.774 4.354 -7.913) 9.065 6.884 ( 2.352 -6.597 5.076) 8.650 7.055 ( -0.179 -5.092 -3.407) 6.129 7.378 ( 5.367 7.401 -0.134) 9.143 7.950 ( 6.744 -7.826 -3.021) 10.763 8.689 ( -1.741 2.770 8.674) 9.271 8.739 ( -2.617 1.051 -6.282) 6.886 9.075 ( 0.789 2.379 -7.396) 7.810 9.350 ( -2.296 -1.669 -3.263) 4.325 10.191 ( 1.149 9.041 -1.297) 9.206 10.285 ( 1.625 6.813 1.183) 7.104 10.642 ( -6.648 -4.063 7.109) 10.547 10.929 ( -1.484 -9.016 -3.493) 9.782 11.128 ( -2.080 3.181 -3.933) 5.469 11.320 ( -1.096 -0.936 3.067) 3.389 11.376 ( -11.673 3.616 0.997) 12.261 11.730 ( -2.320 -5.914 0.014) 6.353 11.950 ( -2.732 0.653 -6.023) 6.646 11.996 ( -3.706 -1.133 -4.334) 5.814 12.260 ( -14.559 -1.383 5.909) 15.773 12.279 ( -9.201 -2.124 4.394) 10.415 13.726 ( 9.349 -2.083 0.549) 9.594 13.887 ( 10.306 -6.106 -0.286) 11.982 14.221 ( 7.340 4.067 2.788) 8.842 14.385 ( 9.394 -1.790 1.098) 9.626 22.037 ( 1.925 3.457 -1.954) 4.412 22.172 ( 1.535 7.370 -1.038) 7.600 22.301 ( -2.756 -4.077 1.434) 5.126 22.500 ( -1.948 -2.194 -0.637) 3.002 22.688 ( -7.061 1.298 3.244) 7.878 22.841 ( -2.796 -3.708 0.667) 4.691 23.317 ( -4.183 3.333 -0.782) 5.406 23.404 ( 1.699 6.868 0.226) 7.079 23.631 ( -2.764 2.078 -0.483) 3.491 23.850 ( 1.694 3.022 -0.484) 3.498 23.947 ( -0.270 0.331 0.431) 0.607 24.174 ( -1.079 1.566 2.125) 2.852 24.353 ( -3.220 -1.979 0.958) 3.899 24.443 ( 4.373 -10.716 -4.352) 12.365 24.786 ( 4.498 13.932 2.925) 14.929 25.679 ( 6.749 -10.899 -2.436) 13.048 ======================= Grid point 85 (43/128) ======================= q-point: (-0.56 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -3.326 3.131 -4.579) 6.468 2.348 ( -0.523 9.512 0.709) 9.553 2.497 ( 0.284 17.578 3.337) 17.895 2.553 ( -1.903 3.250 -0.696) 3.830 2.632 ( 5.522 -0.238 6.498) 8.531 2.821 ( 8.329 0.983 -2.615) 8.785 2.970 ( 4.686 8.923 -6.127) 11.795 3.143 ( -0.433 9.499 1.446) 9.619 3.294 ( -0.322 3.890 1.140) 4.066 3.432 ( -0.439 -0.553 -2.044) 2.162 3.568 ( -1.438 -4.256 4.571) 6.409 3.628 ( -2.212 -15.038 -0.471) 15.207 3.844 ( 2.636 1.357 -5.970) 6.666 4.024 ( 5.610 -0.166 -1.752) 5.880 4.101 ( 6.042 -0.823 -2.868) 6.739 4.224 ( 3.619 -6.038 -4.840) 8.543 4.358 ( -0.287 -8.830 1.012) 8.892 4.395 ( -0.734 -2.740 4.341) 5.186 4.706 ( -4.964 -0.927 9.323) 10.603 4.765 ( -2.220 2.506 2.063) 3.932 4.973 ( 4.516 6.917 -4.130) 9.235 5.242 ( -3.973 -2.543 -3.017) 5.600 5.396 ( -4.176 -1.319 2.401) 4.994 5.496 ( -2.955 3.691 -1.158) 4.868 5.608 ( 0.887 -4.700 -0.522) 4.812 5.745 ( 3.587 -2.112 5.650) 7.018 5.908 ( 0.991 3.965 -7.462) 8.508 6.039 ( -3.356 12.129 0.603) 12.599 6.116 ( 2.606 -1.773 3.908) 5.021 6.412 ( 3.632 5.748 -0.037) 6.799 6.474 ( 2.643 2.075 -0.283) 3.372 6.625 ( 3.102 4.425 -4.834) 7.250 6.892 ( -3.084 -5.836 -2.148) 6.942 7.081 ( 2.957 -7.134 2.621) 8.156 7.422 ( 1.691 7.274 -2.804) 7.977 7.986 ( 3.244 -7.501 -4.829) 9.492 8.550 ( -4.551 5.424 -10.656) 12.794 8.769 ( -0.189 -2.079 4.003) 4.514 9.057 ( 4.332 0.849 -2.807) 5.231 9.293 ( 0.206 -2.464 -2.520) 3.531 10.198 ( 1.509 8.469 -0.621) 8.624 10.338 ( -0.285 7.371 4.715) 8.755 10.635 ( -5.040 -3.477 8.793) 10.715 10.945 ( 2.234 -7.354 3.657) 8.511 11.095 ( 1.335 3.366 -0.543) 3.662 11.194 ( -7.097 2.734 -2.533) 8.016 11.383 ( -0.446 0.427 8.077) 8.101 11.706 ( 0.675 -6.069 -2.110) 6.461 11.856 ( 1.851 -1.159 -10.021) 10.256 11.891 ( -1.086 -2.234 -4.355) 5.013 12.103 ( -9.155 0.919 2.050) 9.427 12.259 ( -3.195 -3.086 7.124) 8.395 13.842 ( 3.095 -1.814 1.628) 3.939 14.021 ( 4.564 -5.806 2.453) 7.782 14.325 ( 1.015 4.387 2.807) 5.306 14.495 ( 2.501 -1.673 0.709) 3.091 22.063 ( 2.558 2.981 -0.363) 3.945 22.201 ( 1.214 6.896 1.553) 7.173 22.281 ( -1.912 -3.268 2.375) 4.470 22.485 ( -0.604 -0.717 1.543) 1.806 22.643 ( -3.942 0.978 4.200) 5.842 22.812 ( -1.263 -4.416 0.160) 4.596 23.261 ( -0.972 2.462 -0.801) 2.765 23.418 ( 0.387 6.600 -0.825) 6.663 23.579 ( -1.168 2.867 -2.713) 4.117 23.873 ( 1.019 3.074 0.767) 3.329 23.956 ( -0.215 0.132 1.691) 1.709 24.154 ( -1.790 0.358 -1.922) 2.651 24.307 ( -1.433 -1.133 -0.782) 1.987 24.459 ( 3.062 -9.703 -4.821) 11.259 24.871 ( 0.725 12.365 3.907) 12.988 25.720 ( 3.080 -9.880 -4.102) 11.133 ======================= Grid point 86 (44/128) ======================= q-point: (-0.44 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -10.787 6.975 -10.349) 16.496 2.268 ( -8.703 14.134 -1.613) 16.676 2.486 ( -9.498 -0.322 5.708) 11.086 2.526 ( -0.751 8.285 1.090) 8.390 2.727 ( 1.707 9.678 -2.595) 10.164 2.879 ( -1.108 2.399 3.386) 4.295 3.034 ( 8.352 4.985 -3.494) 10.335 3.134 ( -2.370 10.771 2.318) 11.269 3.294 ( 1.762 1.576 -3.861) 4.527 3.398 ( 2.458 -5.591 -5.652) 8.322 3.583 ( -1.986 -7.429 6.330) 9.960 3.660 ( -1.040 -6.610 5.423) 8.613 3.822 ( 0.848 0.846 -4.036) 4.210 3.998 ( -5.133 -2.575 -4.990) 7.608 4.138 ( -0.334 4.623 -5.548) 7.229 4.218 ( 1.583 -6.855 1.230) 7.142 4.360 ( -6.229 -0.997 2.393) 6.747 4.389 ( -1.551 -8.728 2.922) 9.333 4.647 ( -12.840 1.273 2.893) 13.224 4.712 ( -3.388 -3.140 0.657) 4.666 4.982 ( 0.810 0.449 -8.687) 8.736 5.176 ( 0.630 3.279 1.829) 3.807 5.220 ( -9.647 -4.101 -5.985) 12.071 5.374 ( -7.316 8.922 -2.810) 11.875 5.549 ( -2.871 0.692 0.866) 3.078 5.810 ( 0.770 2.770 -0.469) 2.913 5.937 ( 4.921 -6.132 3.934) 8.792 6.022 ( -0.985 10.803 2.830) 11.210 6.246 ( 2.323 -1.184 1.918) 3.237 6.408 ( 1.220 2.629 -1.834) 3.430 6.558 ( 1.361 -2.524 -0.705) 2.952 6.696 ( 10.534 2.827 -3.198) 11.366 6.812 ( -1.614 -0.654 -0.184) 1.751 7.162 ( 2.113 -6.604 3.949) 7.980 7.366 ( -2.272 7.328 -4.997) 9.156 7.939 ( 0.075 -7.091 -7.493) 10.317 8.371 ( -0.997 4.810 -10.033) 11.171 8.780 ( 0.279 -6.530 -2.162) 6.884 9.131 ( 6.382 2.443 -0.833) 6.884 9.310 ( 3.626 -0.390 0.199) 3.653 10.234 ( 2.175 10.702 1.757) 11.061 10.381 ( -1.037 9.031 4.305) 10.059 10.695 ( -2.140 -3.595 10.522) 11.323 11.018 ( -1.020 5.252 -1.349) 5.517 11.101 ( 3.216 -8.206 4.010) 9.683 11.190 ( 4.345 1.275 4.451) 6.349 11.506 ( 2.578 -1.591 8.343) 8.876 11.689 ( 0.711 -6.993 -3.149) 7.702 11.783 ( 5.143 -0.753 -10.374) 11.603 11.844 ( 3.133 -2.477 -6.879) 7.955 12.036 ( -1.343 3.915 1.983) 4.590 12.321 ( 0.689 -3.734 5.834) 6.961 13.866 ( -3.633 -1.363 2.926) 4.860 14.092 ( -1.626 -7.958 4.641) 9.355 14.321 ( -5.443 4.312 2.747) 7.468 14.484 ( -4.481 -1.285 0.455) 4.684 22.102 ( 1.288 3.674 1.377) 4.129 22.243 ( 2.391 3.158 0.568) 4.002 22.312 ( 0.089 1.434 5.948) 6.119 22.515 ( 0.931 0.555 2.676) 2.887 22.654 ( -1.559 1.371 4.954) 5.371 22.805 ( 0.468 -3.262 -0.091) 3.297 23.271 ( 2.417 -0.131 -0.015) 2.421 23.400 ( -1.010 7.877 -1.224) 8.035 23.530 ( 1.388 0.981 -5.379) 5.641 23.901 ( 0.237 3.413 1.798) 3.865 23.968 ( -1.041 0.420 0.768) 1.361 24.075 ( -1.946 -1.201 -4.644) 5.176 24.292 ( 0.464 -0.910 -0.739) 1.261 24.427 ( 1.064 -5.657 -5.354) 7.861 24.901 ( -3.516 9.050 4.997) 10.920 25.685 ( -0.070 -10.357 -5.777) 11.859 ======================= Grid point 87 (45/128) ======================= q-point: (-0.33 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -13.376 12.270 -7.629) 19.689 2.044 ( -14.570 18.139 -3.539) 23.533 2.367 ( -12.970 -1.662 7.232) 14.942 2.504 ( -3.382 -2.115 0.032) 3.989 2.674 ( -5.992 7.550 -1.356) 9.734 2.858 ( -5.680 14.239 3.766) 15.786 3.067 ( -2.364 7.252 3.050) 8.215 3.152 ( 4.878 3.017 -7.793) 9.676 3.234 ( -0.000 -2.557 -8.486) 8.863 3.416 ( 4.894 -3.771 -1.436) 6.343 3.523 ( -17.845 -3.052 -2.168) 18.234 3.609 ( -10.198 3.676 -0.681) 10.862 3.767 ( -4.962 -3.361 3.432) 6.906 3.848 ( -4.628 -5.040 -0.775) 6.886 3.942 ( -7.377 6.087 -5.340) 10.954 4.224 ( -2.823 -6.438 -2.922) 7.613 4.292 ( -3.469 -1.324 0.305) 3.726 4.408 ( -4.491 -2.705 6.046) 8.003 4.455 ( -7.256 -2.600 1.152) 7.793 4.675 ( -1.968 -6.433 0.813) 6.777 4.833 ( -5.401 -4.442 -4.646) 8.395 4.977 ( -5.740 -4.458 -6.238) 9.577 5.226 ( -5.816 10.030 -1.609) 11.705 5.377 ( 8.228 6.525 6.649) 12.429 5.545 ( 0.952 5.503 0.382) 5.598 5.810 ( -0.512 2.401 1.604) 2.932 6.049 ( 3.286 9.126 0.451) 9.710 6.110 ( 2.707 -7.423 8.609) 11.685 6.201 ( -4.842 0.597 -0.621) 4.918 6.401 ( -0.175 -3.285 -3.621) 4.892 6.515 ( -0.994 -4.946 -4.488) 6.752 6.724 ( 3.488 -7.489 -6.714) 10.646 6.928 ( 5.745 4.377 5.677) 9.187 7.225 ( -3.161 4.348 -1.357) 5.545 7.280 ( 2.282 -1.709 0.253) 2.862 7.811 ( -1.990 -6.899 -10.830) 12.994 8.290 ( 2.603 2.830 -5.741) 6.909 8.734 ( -0.349 -9.173 -4.767) 10.344 9.226 ( 7.188 4.899 -2.205) 8.973 9.403 ( 4.845 1.761 2.374) 5.675 10.306 ( 2.348 10.880 2.048) 11.318 10.430 ( 3.193 14.926 3.929) 15.761 10.795 ( -2.222 -4.453 10.651) 11.757 10.966 ( 0.149 5.970 -1.909) 6.270 11.280 ( 6.597 -8.046 6.322) 12.175 11.355 ( 10.947 -1.795 2.433) 11.357 11.590 ( -2.064 -5.222 0.872) 5.683 11.643 ( -1.000 -6.312 -2.571) 6.888 11.793 ( 9.876 1.691 -9.201) 13.603 11.904 ( 12.880 0.294 -1.095) 12.930 12.097 ( 5.478 3.504 1.635) 6.705 12.408 ( 2.611 -3.965 3.626) 5.974 13.791 ( -10.464 -1.333 3.939) 11.259 14.049 ( -10.328 -10.195 2.964) 14.812 14.223 ( -10.819 3.112 3.764) 11.870 14.375 ( -9.997 -1.567 2.137) 10.343 22.140 ( 0.881 4.804 2.142) 5.333 22.291 ( 3.028 -0.888 -0.103) 3.157 22.440 ( 4.030 5.954 9.975) 12.296 22.563 ( 1.599 2.267 1.068) 2.973 22.715 ( 1.555 2.660 5.827) 6.592 22.833 ( 1.783 -1.427 1.691) 2.842 23.293 ( 0.724 2.759 -4.049) 4.953 23.379 ( 0.484 5.619 0.892) 5.710 23.511 ( 4.765 -3.400 -5.636) 8.126 23.854 ( -5.186 0.450 -5.648) 7.681 23.953 ( 0.898 1.248 0.668) 1.676 24.030 ( -0.594 0.705 -0.106) 0.928 24.294 ( 0.896 -0.714 -1.209) 1.666 24.385 ( 1.388 -1.794 -4.433) 4.980 24.881 ( -7.183 5.558 6.608) 11.232 25.577 ( -3.648 -12.188 -7.419) 14.727 ======================= Grid point 88 (46/128) ======================= q-point: (-0.22 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -14.362 17.210 -0.004) 22.415 1.692 ( -22.507 17.723 -4.493) 28.998 2.247 ( -12.953 -4.867 7.121) 15.562 2.394 ( -10.373 -0.030 1.643) 10.503 2.529 ( -10.267 10.576 2.173) 14.899 2.769 ( -8.678 15.433 -0.177) 17.707 2.938 ( -14.617 -1.882 -7.077) 16.349 3.082 ( -7.255 1.596 -9.914) 12.388 3.120 ( -5.998 0.401 -3.538) 6.976 3.174 ( -3.636 7.323 2.142) 8.452 3.362 ( -7.507 8.893 -4.265) 12.395 3.514 ( 3.245 -5.157 -2.542) 6.602 3.615 ( -8.104 -10.399 -0.770) 13.206 3.795 ( -4.314 -5.593 2.165) 7.387 3.941 ( 0.074 4.753 1.941) 5.134 4.083 ( -4.131 -2.435 -0.771) 4.857 4.284 ( 0.139 3.654 1.448) 3.933 4.394 ( -3.178 0.690 3.295) 4.630 4.434 ( -3.826 -3.841 5.666) 7.842 4.658 ( 0.044 -3.139 -1.992) 3.718 4.745 ( -1.185 -9.276 -0.170) 9.353 4.892 ( 0.074 -4.175 -0.181) 4.180 5.112 ( -5.732 8.523 -0.903) 10.311 5.534 ( 4.987 7.069 -2.453) 8.992 5.584 ( -1.253 5.169 8.185) 9.762 5.836 ( -0.684 2.940 2.792) 4.112 6.053 ( -2.518 6.674 -3.282) 7.852 6.150 ( 2.473 -0.715 4.808) 5.454 6.257 ( 0.355 -4.155 0.989) 4.286 6.348 ( 1.957 -4.427 -1.762) 5.151 6.457 ( -0.278 -5.601 -2.829) 6.281 6.661 ( -0.980 -14.856 -7.926) 16.867 7.057 ( 0.694 3.783 3.199) 5.003 7.125 ( -0.155 4.614 -3.950) 6.076 7.337 ( -1.566 -4.236 3.688) 5.830 7.626 ( -2.588 -7.017 -12.361) 14.448 8.306 ( 3.845 0.307 -0.934) 3.968 8.675 ( -0.388 -9.511 -2.944) 9.963 9.310 ( 7.033 7.262 -3.613) 10.736 9.500 ( 3.298 3.099 1.864) 4.894 10.324 ( 0.862 8.383 -2.280) 8.730 10.625 ( 13.579 18.665 0.999) 23.103 10.863 ( -2.785 -0.513 11.599) 11.939 11.013 ( 3.876 2.849 3.197) 5.775 11.423 ( 4.423 -3.843 3.241) 6.696 11.462 ( -3.953 -7.257 -7.895) 11.429 11.527 ( 4.000 -4.866 -3.936) 7.427 11.682 ( 11.929 -4.800 -5.684) 14.058 11.900 ( 9.733 6.090 2.691) 11.793 12.189 ( 18.136 -1.586 2.669) 18.400 12.242 ( 10.236 2.248 0.421) 10.488 12.489 ( 3.368 -3.725 1.651) 5.286 13.616 ( -16.703 -1.885 4.318) 17.354 13.822 ( -19.328 -10.114 1.219) 21.849 14.048 ( -14.940 2.356 2.522) 15.333 14.214 ( -15.546 -4.552 5.138) 16.994 22.177 ( 1.404 3.780 0.374) 4.049 22.338 ( 1.809 -2.083 1.055) 2.954 22.590 ( 2.558 4.404 -1.815) 5.407 22.672 ( 7.553 4.935 9.105) 12.818 22.869 ( 6.553 6.305 9.513) 13.160 22.889 ( 0.630 0.752 3.059) 3.213 23.236 ( 1.663 5.058 -3.628) 6.443 23.415 ( 3.880 0.798 -1.682) 4.303 23.536 ( 3.218 -4.879 -3.795) 6.968 23.685 ( -3.779 -1.496 -6.253) 7.458 23.985 ( 1.302 2.357 1.332) 3.004 24.021 ( 0.079 2.734 -0.718) 2.828 24.288 ( 0.547 -0.053 -1.909) 1.987 24.368 ( 2.054 -0.383 -3.234) 3.850 24.833 ( -9.394 2.518 8.257) 12.758 25.371 ( -9.733 -13.581 -9.201) 19.075 ======================= Grid point 89 (47/128) ======================= q-point: (-0.11 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -20.139 17.208 6.204) 27.207 1.309 ( -14.207 22.390 5.746) 27.133 2.079 ( -13.497 -2.287 1.685) 13.793 2.313 ( -6.153 3.717 7.770) 10.586 2.350 ( -11.246 14.781 -0.973) 18.598 2.562 ( -9.544 7.659 -3.638) 12.767 2.677 ( -9.132 -2.622 -0.712) 9.528 2.842 ( -6.757 3.866 1.515) 7.930 3.021 ( 0.719 2.241 -11.401) 11.641 3.202 ( -2.749 0.636 2.041) 3.482 3.258 ( 0.954 7.000 -1.625) 7.249 3.507 ( -0.604 -4.185 3.214) 5.311 3.584 ( 3.256 -5.526 -2.196) 6.779 3.748 ( -5.611 -6.387 3.336) 9.133 3.909 ( 1.494 1.821 -2.583) 3.496 4.103 ( -2.830 4.570 4.993) 7.337 4.284 ( -1.178 0.043 -0.253) 1.205 4.408 ( -0.023 0.902 1.175) 1.481 4.439 ( -3.340 1.725 6.976) 7.924 4.668 ( 3.255 2.870 1.313) 4.534 4.768 ( 0.850 -9.771 3.181) 10.311 4.932 ( -0.067 -1.998 2.632) 3.305 5.036 ( -3.137 0.502 1.942) 3.724 5.533 ( 0.656 5.273 -3.408) 6.313 5.682 ( 1.256 7.177 7.450) 10.421 5.822 ( -2.552 2.447 -0.485) 3.568 6.013 ( 1.942 3.571 -2.297) 4.669 6.174 ( -3.665 -0.441 0.377) 3.711 6.265 ( 2.076 -11.066 -1.339) 11.338 6.363 ( 0.284 -3.074 -3.984) 5.040 6.447 ( 1.722 -5.549 -1.653) 6.040 6.533 ( -3.354 -8.158 -2.698) 9.223 7.016 ( -1.414 2.371 -1.335) 3.067 7.122 ( 0.468 1.816 -4.331) 4.720 7.326 ( -4.459 -2.655 3.649) 6.344 7.482 ( 0.976 -6.809 -6.194) 9.256 8.376 ( 2.661 -1.109 2.703) 3.952 8.666 ( 0.583 -9.072 1.271) 9.179 9.360 ( 5.542 8.423 -5.730) 11.597 9.547 ( 0.944 3.981 0.059) 4.092 10.302 ( 2.057 8.048 -5.083) 9.738 10.706 ( 3.469 7.132 -8.279) 11.465 11.047 ( 0.985 3.447 0.522) 3.623 11.143 ( 4.870 0.435 3.092) 5.785 11.323 ( -1.063 -5.552 3.536) 6.668 11.505 ( 2.338 -4.597 -3.635) 6.310 11.534 ( 9.295 -0.559 -1.425) 9.420 11.794 ( 12.675 -0.029 -8.918) 15.498 12.156 ( 9.722 3.919 8.743) 13.650 12.416 ( 10.005 2.253 -1.140) 10.319 12.498 ( 10.023 -4.111 3.397) 11.353 12.580 ( 10.853 -1.883 -0.859) 11.049 13.353 ( -21.478 -1.938 4.773) 22.087 13.486 ( -24.866 -8.754 6.568) 27.168 13.820 ( -13.404 2.659 0.650) 13.681 13.977 ( -17.038 -3.821 2.266) 17.607 22.186 ( 1.204 2.080 -2.604) 3.543 22.366 ( -0.484 -3.214 1.392) 3.536 22.598 ( 3.677 8.141 -7.008) 11.353 22.795 ( 0.145 4.245 -0.814) 4.325 22.910 ( -2.079 1.179 4.538) 5.129 23.050 ( 4.428 7.131 1.599) 8.545 23.335 ( 4.816 -9.194 -0.603) 10.397 23.464 ( -2.467 -5.119 -3.894) 6.889 23.564 ( 12.770 3.194 8.524) 15.682 23.656 ( 2.418 -0.773 -0.688) 2.631 24.019 ( 1.088 4.247 -1.328) 4.581 24.068 ( 9.483 3.241 2.597) 10.352 24.270 ( -0.486 -0.626 -0.580) 0.983 24.366 ( 2.678 -0.773 -4.062) 4.926 24.745 ( -13.421 1.022 4.721) 14.264 25.057 ( -13.461 -7.999 -4.760) 16.366 ======================= Grid point 90 (48/128) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 2.905 16.302 4.799) 17.240 1.661 ( 0.496 -8.292 -0.898) 8.355 1.825 ( 0.712 16.373 10.221) 19.314 2.172 ( -0.244 -14.747 6.239) 16.015 2.438 ( 3.352 3.929 2.883) 5.915 2.524 ( -0.054 -4.904 2.904) 5.700 2.877 ( -1.558 8.337 0.024) 8.482 2.895 ( 2.356 2.503 -0.739) 3.516 3.025 ( 1.918 9.205 -3.559) 10.054 3.152 ( 0.358 -3.209 -5.449) 6.333 3.376 ( -0.420 7.478 3.368) 8.212 3.539 ( 0.739 -3.008 5.078) 5.948 3.570 ( -0.143 4.092 2.719) 4.915 3.668 ( -0.506 -4.640 7.803) 9.092 3.952 ( 3.052 2.555 -0.498) 4.012 4.116 ( -1.429 -3.775 2.752) 4.885 4.180 ( -2.935 -2.066 -2.366) 4.299 4.279 ( -1.442 -6.957 1.061) 7.184 4.603 ( -4.332 6.403 8.640) 11.594 4.701 ( -4.453 -3.523 11.088) 12.457 4.789 ( -3.362 -0.211 2.568) 4.236 4.869 ( -4.291 -6.071 -1.051) 7.508 5.211 ( 5.776 19.682 -1.144) 20.544 5.516 ( -2.306 -2.879 -4.549) 5.857 5.702 ( 0.517 -2.013 -5.435) 5.819 5.777 ( 8.032 -12.707 -5.835) 16.126 6.018 ( -3.967 4.242 2.399) 6.284 6.118 ( 0.402 -4.538 0.194) 4.560 6.154 ( 2.577 7.281 0.815) 7.767 6.286 ( 2.691 -5.242 -0.114) 5.893 6.424 ( -0.400 1.180 0.807) 1.485 6.473 ( -0.227 -2.728 0.819) 2.857 7.061 ( 0.079 2.677 -4.116) 4.910 7.082 ( 0.035 0.648 -4.444) 4.491 7.269 ( -0.027 1.970 1.663) 2.579 7.376 ( 5.461 -7.793 1.766) 9.678 8.465 ( 1.292 3.096 4.637) 5.723 8.565 ( 1.777 -6.628 4.314) 8.106 9.500 ( 2.495 5.857 -6.553) 9.137 9.571 ( 1.189 -1.027 -4.657) 4.915 10.457 ( 0.321 10.590 -4.243) 11.413 10.650 ( -1.396 -7.244 -2.351) 7.743 10.930 ( -5.387 9.358 -12.411) 16.451 11.109 ( -2.529 -7.750 -3.680) 8.944 11.316 ( 2.642 1.542 -0.505) 3.101 11.392 ( 2.430 -5.748 -0.184) 6.244 11.724 ( 3.903 4.297 -5.126) 7.744 11.824 ( 4.679 -5.079 -5.692) 8.950 12.365 ( -7.046 2.714 6.741) 10.122 12.421 ( -7.667 -2.678 4.291) 9.186 12.712 ( 12.910 4.075 1.036) 13.577 12.789 ( 15.608 -3.311 -0.532) 15.964 13.097 ( -16.721 1.598 6.806) 18.123 13.144 ( -14.615 -3.254 8.228) 17.084 13.740 ( 0.180 2.186 -0.681) 2.297 13.781 ( 0.220 -1.896 -1.173) 2.240 22.205 ( -0.463 3.159 -2.131) 3.839 22.280 ( -1.116 -4.170 -0.234) 4.323 22.662 ( -3.302 7.050 -9.499) 12.281 22.761 ( -3.581 -2.466 -7.330) 8.523 22.970 ( -0.631 5.179 1.107) 5.334 23.084 ( -3.490 -4.918 -1.252) 6.160 23.288 ( 3.482 2.192 1.616) 4.420 23.358 ( 2.247 -4.038 0.988) 4.725 23.715 ( 1.032 1.418 3.532) 3.943 23.735 ( 1.220 -0.616 3.644) 3.892 24.106 ( -0.776 4.889 -1.085) 5.068 24.201 ( -2.980 -4.273 0.930) 5.292 24.304 ( 6.563 1.883 -2.585) 7.300 24.358 ( 7.681 -3.062 -0.581) 8.289 24.679 ( -5.597 8.484 4.019) 10.930 24.851 ( 0.240 -8.616 4.740) 9.837 ======================= Grid point 91 (49/128) ======================= q-point: ( 0.11 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 18.356 8.375 3.516) 20.480 1.759 ( 12.515 -3.094 -1.419) 12.969 2.000 ( 5.239 15.612 10.462) 19.510 2.239 ( 2.706 -7.062 5.669) 9.451 2.622 ( 4.922 2.580 2.944) 6.289 2.697 ( 13.142 -4.502 3.122) 14.238 2.895 ( 3.120 8.046 -4.472) 9.720 2.989 ( 12.957 4.401 2.141) 13.851 3.082 ( 8.742 -1.566 -0.520) 8.896 3.142 ( 3.668 -10.742 -2.729) 11.674 3.412 ( -0.032 12.333 3.122) 12.722 3.519 ( -2.033 4.150 -1.039) 4.736 3.683 ( 2.563 1.625 8.124) 8.672 3.814 ( 3.642 -5.279 11.871) 13.493 4.001 ( 0.549 -0.430 2.755) 2.842 4.115 ( 1.052 -6.265 -3.245) 7.134 4.147 ( -1.572 5.389 4.545) 7.223 4.270 ( -3.450 -5.938 3.239) 7.593 4.576 ( -6.534 7.054 2.675) 9.981 4.726 ( -7.921 -3.593 7.835) 11.706 4.791 ( -0.174 -5.597 3.853) 6.797 4.809 ( -1.745 -6.366 8.003) 10.374 5.300 ( 5.422 12.960 -2.412) 14.254 5.418 ( -0.814 2.188 -7.053) 7.429 5.658 ( 3.330 0.672 -8.147) 8.827 5.789 ( 1.759 -8.821 -6.182) 10.915 5.987 ( -3.265 4.633 2.627) 6.247 6.115 ( -1.639 -6.618 -0.396) 6.829 6.223 ( 4.693 9.023 0.337) 10.176 6.389 ( 6.148 -7.090 -1.083) 9.447 6.423 ( 1.061 1.580 1.705) 2.555 6.479 ( 1.285 -3.277 2.367) 4.241 6.992 ( -0.304 2.810 -5.434) 6.125 7.057 ( 0.380 -3.712 -3.100) 4.851 7.330 ( 4.969 8.041 1.386) 9.554 7.512 ( 8.401 -9.691 0.658) 12.843 8.550 ( 0.642 3.877 6.722) 7.787 8.654 ( 1.680 -6.250 5.234) 8.323 9.436 ( -0.066 5.880 -7.309) 9.381 9.512 ( -0.840 -1.490 -5.401) 5.665 10.411 ( 0.725 9.559 -4.334) 10.521 10.592 ( -2.053 -8.129 -2.547) 8.763 10.706 ( -5.163 15.685 -9.364) 18.983 10.994 ( -3.883 -12.836 -6.355) 14.840 11.330 ( 2.314 1.882 -4.229) 5.175 11.382 ( 1.367 -2.986 -7.262) 7.970 11.662 ( -6.393 3.109 1.012) 7.180 11.763 ( -7.017 -6.234 1.109) 9.452 12.260 ( -10.553 2.540 3.236) 11.326 12.298 ( -8.936 -1.097 -0.301) 9.008 12.670 ( -18.595 2.714 5.154) 19.486 12.728 ( -23.023 -2.909 6.546) 24.112 13.205 ( 19.621 1.059 0.358) 19.653 13.257 ( 15.690 -4.154 2.418) 16.410 13.859 ( 12.227 2.307 0.453) 12.451 13.900 ( 12.935 -1.826 -0.127) 13.064 22.168 ( -0.536 3.948 -2.417) 4.661 22.256 ( -1.168 -4.677 -0.524) 4.849 22.484 ( -3.271 7.632 -9.146) 12.353 22.604 ( -3.580 -4.460 -7.381) 9.337 22.940 ( -4.715 2.147 0.882) 5.255 22.972 ( -7.607 -0.843 -0.910) 7.707 23.368 ( 3.125 2.505 2.307) 4.622 23.420 ( 2.536 -2.351 0.937) 3.583 23.750 ( -1.055 2.047 2.210) 3.192 23.777 ( 0.740 -0.426 2.875) 2.999 24.052 ( -2.385 4.093 -1.970) 5.130 24.132 ( -3.720 -3.331 0.104) 4.995 24.339 ( -0.889 3.136 0.288) 3.272 24.428 ( -2.876 -5.170 3.008) 6.637 24.755 ( 8.378 13.253 2.975) 15.959 25.029 ( 12.880 -14.037 3.038) 19.292 ======================= Grid point 92 (50/128) ======================= q-point: ( 0.22 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 13.964 4.482 4.489) 15.338 2.017 ( 13.112 -0.001 6.838) 14.788 2.268 ( 15.365 10.101 5.056) 19.070 2.400 ( 8.900 -2.558 3.043) 9.748 2.701 ( 4.793 7.415 -1.836) 9.018 2.810 ( 4.248 0.530 -5.291) 6.806 2.902 ( 5.222 4.711 -4.799) 8.514 3.154 ( 3.198 -14.778 -2.591) 15.341 3.268 ( 8.415 -2.626 3.305) 9.414 3.284 ( 11.186 -4.452 2.687) 12.335 3.446 ( 1.921 9.846 -0.015) 10.032 3.498 ( 1.173 5.633 0.024) 5.754 3.818 ( 3.299 4.212 5.378) 7.586 3.997 ( 0.090 -6.998 4.671) 8.414 4.042 ( 0.388 4.307 1.945) 4.742 4.110 ( 4.546 -1.240 -2.817) 5.490 4.210 ( 0.935 -1.736 6.478) 6.771 4.244 ( -4.724 -5.206 4.919) 8.580 4.522 ( -2.259 9.287 4.896) 10.739 4.699 ( -3.545 -4.738 6.327) 8.663 4.920 ( 4.932 -4.231 7.552) 9.963 4.959 ( 5.388 -6.614 11.748) 14.519 5.313 ( 2.391 6.102 -6.481) 9.217 5.356 ( 3.018 3.964 -2.530) 5.588 5.586 ( -0.394 1.506 -7.803) 7.957 5.684 ( -5.025 -5.134 -5.764) 9.210 5.996 ( 1.254 3.385 1.747) 4.010 6.092 ( -0.401 -4.892 0.237) 4.914 6.294 ( 3.463 9.838 -0.239) 10.432 6.414 ( 2.363 -0.777 -0.420) 2.523 6.486 ( 3.190 0.647 -0.671) 3.323 6.590 ( 6.081 -7.426 1.286) 9.684 6.919 ( -1.064 4.160 -5.094) 6.663 7.010 ( -0.939 -5.091 -3.920) 6.493 7.442 ( 6.584 9.638 0.527) 11.685 7.650 ( 8.011 -10.849 -0.627) 13.500 8.645 ( 0.777 3.842 6.712) 7.773 8.732 ( 1.256 -4.545 3.119) 5.654 9.319 ( -2.773 6.236 -8.056) 10.559 9.413 ( -2.928 -2.846 -5.878) 7.157 10.390 ( 1.083 8.454 -1.146) 8.600 10.508 ( -1.977 6.968 -6.509) 9.738 10.571 ( -4.827 1.313 2.130) 5.437 10.833 ( -4.995 -13.791 -7.152) 16.319 11.280 ( -1.135 1.251 -6.631) 6.843 11.304 ( 0.746 -0.859 -4.767) 4.901 11.571 ( -8.792 3.125 4.558) 10.385 11.667 ( -7.859 -5.927 4.156) 10.685 12.123 ( -6.887 1.388 -2.207) 7.364 12.133 ( -7.084 0.582 -4.784) 8.568 12.415 ( -17.852 0.024 5.203) 18.594 12.435 ( -20.723 -1.915 7.390) 22.084 13.504 ( 15.620 0.604 -0.019) 15.632 13.552 ( 16.157 -4.281 0.420) 16.720 14.090 ( 12.787 2.723 1.700) 13.184 14.137 ( 13.571 -2.071 1.149) 13.777 22.134 ( -0.439 4.587 -1.720) 4.919 22.230 ( -1.342 -4.873 -0.201) 5.058 22.359 ( -1.110 7.386 -5.177) 9.087 22.484 ( -1.998 -5.149 -4.497) 7.122 22.830 ( -8.017 1.669 0.380) 8.198 22.859 ( -5.838 -1.264 0.181) 5.976 23.426 ( -1.171 1.803 2.221) 3.091 23.444 ( 0.099 0.757 0.964) 1.230 23.753 ( 0.244 5.342 0.246) 5.354 23.833 ( 3.272 -1.713 0.043) 3.693 23.998 ( -1.888 3.419 -0.905) 4.009 24.103 ( -1.215 -6.175 1.737) 6.529 24.311 ( -1.899 2.053 0.026) 2.797 24.380 ( -4.961 -4.244 1.395) 6.677 24.949 ( 9.873 15.965 1.979) 18.875 25.265 ( 11.478 -15.433 1.192) 19.270 ======================= Grid point 93 (51/128) ======================= q-point: ( 0.33 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 6.408 5.215 5.153) 9.737 2.295 ( 7.938 -3.408 8.228) 11.930 2.510 ( 6.818 6.717 0.722) 9.599 2.575 ( 9.389 0.147 0.356) 9.397 2.747 ( 5.860 6.713 -6.571) 11.072 2.806 ( 5.076 8.081 -3.577) 10.192 2.968 ( 5.633 0.059 1.126) 5.744 3.183 ( 2.075 -14.599 0.049) 14.746 3.338 ( 2.767 3.634 -2.891) 5.405 3.399 ( 1.610 -4.834 -1.755) 5.389 3.490 ( 2.318 4.224 0.873) 4.896 3.545 ( -0.824 4.447 5.462) 7.091 3.898 ( 5.299 -1.026 -3.856) 6.633 3.938 ( -3.540 -0.949 -3.620) 5.151 4.039 ( 0.454 3.412 -2.380) 4.184 4.133 ( 1.721 -6.030 -5.505) 8.344 4.260 ( -2.466 -2.785 3.526) 5.125 4.279 ( 1.381 -2.807 7.761) 8.368 4.674 ( 4.809 8.423 9.065) 13.276 4.764 ( 1.244 0.292 7.196) 7.308 5.064 ( 4.515 2.271 -0.006) 5.054 5.190 ( 4.166 -8.118 9.865) 13.438 5.310 ( 1.347 3.841 -2.628) 4.845 5.433 ( 6.378 -5.087 -2.180) 8.444 5.524 ( 1.999 2.223 0.819) 3.099 5.563 ( -1.647 -1.548 2.800) 3.598 6.026 ( 0.778 1.965 -2.235) 3.076 6.083 ( -0.171 -3.284 -2.765) 4.296 6.321 ( -0.116 10.767 0.267) 10.771 6.459 ( 3.143 -0.772 -0.892) 3.357 6.515 ( 2.738 5.390 -1.804) 6.309 6.661 ( 3.146 -6.958 -2.686) 8.095 6.845 ( -1.290 3.247 -2.429) 4.255 6.942 ( -1.085 -5.855 -3.335) 6.826 7.544 ( 5.465 9.504 -0.745) 10.988 7.753 ( 5.944 -11.054 -1.788) 12.677 8.720 ( 0.349 1.722 2.796) 3.302 8.752 ( -0.645 -0.915 -1.411) 1.801 9.170 ( -2.583 6.320 -7.178) 9.906 9.287 ( -3.025 -4.794 -5.554) 7.936 10.418 ( 0.675 12.215 -1.539) 12.330 10.422 ( -1.931 6.857 3.287) 7.846 10.553 ( -5.124 -4.260 6.808) 9.526 10.706 ( -1.739 -12.987 -2.308) 13.305 11.197 ( -0.630 3.663 -3.921) 5.403 11.269 ( 0.418 -3.417 -3.113) 4.641 11.480 ( -8.104 6.090 4.143) 10.951 11.606 ( -4.581 -6.404 2.485) 8.257 11.964 ( -4.061 0.681 -6.957) 8.084 11.977 ( -4.348 -0.749 -6.418) 7.788 12.237 ( -13.065 -0.587 6.303) 14.518 12.244 ( -11.217 -1.215 5.965) 12.762 13.717 ( 9.804 1.323 0.608) 9.912 13.777 ( 10.325 -4.544 0.662) 11.300 14.291 ( 8.185 3.060 2.234) 9.019 14.344 ( 8.856 -2.308 1.668) 9.302 22.118 ( 0.153 4.515 -0.401) 4.535 22.210 ( -1.309 -4.626 0.726) 4.863 22.318 ( 0.471 6.688 -1.115) 6.797 22.432 ( -0.473 -4.636 -0.850) 4.737 22.724 ( -5.810 2.260 1.279) 6.363 22.776 ( -4.548 -2.950 0.608) 5.455 23.387 ( -3.721 3.573 0.085) 5.160 23.447 ( -1.492 -1.814 0.329) 2.372 23.769 ( 2.441 9.767 -1.504) 10.179 23.877 ( 2.749 -0.756 -0.827) 2.968 23.967 ( -1.562 2.713 0.335) 3.148 24.114 ( -0.282 -9.753 0.719) 9.784 24.290 ( -0.143 -0.497 -0.580) 0.777 24.319 ( -3.082 -2.230 0.121) 3.807 25.102 ( 6.278 16.773 0.831) 17.929 25.421 ( 7.000 -14.870 -0.676) 16.449 ======================= Grid point 94 (52/128) ======================= q-point: (-0.56 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -2.865 5.535 -3.588) 7.191 2.378 ( -3.004 -6.689 -0.871) 7.384 2.626 ( 1.068 7.255 3.006) 7.925 2.692 ( 4.164 2.217 6.204) 7.794 2.769 ( 5.230 10.264 -1.743) 11.651 2.895 ( 9.154 1.828 -3.758) 10.063 3.056 ( 0.182 2.382 2.445) 3.419 3.203 ( 0.042 -10.653 -0.424) 10.661 3.333 ( 2.405 3.944 -4.117) 6.187 3.369 ( 0.806 -3.155 -4.586) 5.625 3.499 ( -2.852 4.779 1.949) 5.896 3.587 ( -3.158 0.596 6.433) 7.191 3.850 ( 1.104 0.392 -5.905) 6.020 3.919 ( 4.734 -6.241 -6.277) 10.037 4.066 ( 3.550 0.178 1.747) 3.960 4.100 ( 2.376 -4.034 -3.425) 5.801 4.270 ( -1.610 1.480 3.998) 4.557 4.385 ( -0.473 -5.874 6.421) 8.715 4.754 ( -1.962 6.581 1.540) 7.038 4.855 ( -3.160 1.142 5.239) 6.224 5.089 ( 0.822 6.094 -4.055) 7.366 5.230 ( -3.256 -0.482 -2.855) 4.357 5.317 ( -0.360 -1.757 4.716) 5.046 5.444 ( 2.003 -7.879 0.141) 8.131 5.624 ( 0.026 2.800 -0.731) 2.894 5.664 ( 0.425 -2.865 4.487) 5.341 5.965 ( 0.301 3.602 -5.154) 6.296 6.053 ( 2.662 -4.368 -0.141) 5.117 6.313 ( -1.073 12.345 -0.321) 12.396 6.480 ( 0.981 -3.511 -1.052) 3.795 6.547 ( 2.967 7.140 -1.627) 7.901 6.656 ( 3.469 -2.476 -4.608) 6.277 6.823 ( -0.362 1.255 0.188) 1.320 6.930 ( 2.268 -7.580 0.437) 7.924 7.587 ( 1.991 9.445 -2.832) 10.059 7.794 ( 2.550 -10.893 -3.379) 11.686 8.644 ( -2.703 4.213 -9.006) 10.303 8.720 ( -0.732 -3.246 -3.886) 5.116 9.118 ( 2.924 4.963 -1.423) 5.933 9.221 ( 1.490 -4.712 -2.188) 5.405 10.407 ( -0.201 10.592 2.409) 10.864 10.486 ( -0.806 7.662 7.462) 10.725 10.559 ( -4.369 -3.557 8.115) 9.879 10.732 ( 1.640 -12.816 5.038) 13.868 11.170 ( 1.529 3.878 -1.776) 4.531 11.227 ( -0.901 -1.009 -3.605) 3.850 11.435 ( -3.271 5.479 4.982) 8.095 11.571 ( -2.295 -7.313 0.848) 7.712 11.839 ( 0.767 -0.278 -9.284) 9.320 11.851 ( -0.341 -1.497 -7.134) 7.297 12.137 ( -6.557 2.423 4.381) 8.249 12.195 ( -4.519 -3.205 6.352) 8.429 13.842 ( 3.406 1.797 1.865) 4.278 13.910 ( 3.803 -4.885 2.124) 6.545 14.400 ( 1.599 3.241 2.189) 4.225 14.455 ( 2.089 -2.356 1.553) 3.512 22.131 ( 0.849 3.757 1.187) 4.030 22.206 ( -0.786 -3.708 1.576) 4.105 22.341 ( 1.166 6.359 2.533) 6.943 22.443 ( 0.366 -3.635 2.577) 4.471 22.674 ( -2.779 2.214 2.311) 4.238 22.732 ( -1.886 -3.579 1.089) 4.190 23.329 ( -1.514 4.148 -1.845) 4.786 23.413 ( -1.186 -3.806 -1.542) 4.275 23.779 ( 1.646 13.233 -3.486) 13.783 23.910 ( 1.773 0.407 0.283) 1.841 23.957 ( -0.920 0.444 1.771) 2.044 24.081 ( -1.799 -9.712 -3.647) 10.529 24.282 ( -0.244 -0.910 -0.579) 1.106 24.299 ( 0.439 -3.105 0.223) 3.143 25.171 ( 1.677 16.278 -0.215) 16.366 25.479 ( 2.432 -14.161 -2.516) 14.587 ======================= Grid point 95 (53/128) ======================= q-point: (-0.44 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -7.974 8.317 -6.490) 13.224 2.257 ( -8.147 -8.787 -1.426) 12.067 2.614 ( -5.617 9.243 -0.857) 10.850 2.674 ( -6.213 3.554 -1.297) 7.274 2.917 ( 3.178 9.143 3.059) 10.151 2.989 ( 0.660 7.126 3.411) 7.928 3.064 ( 5.215 -2.555 -1.700) 6.051 3.183 ( -0.069 -12.344 -1.362) 12.419 3.311 ( 0.316 3.272 -3.675) 4.931 3.336 ( 1.430 0.725 -4.297) 4.586 3.509 ( -1.243 3.125 7.505) 8.224 3.583 ( -2.532 -3.566 0.873) 4.460 3.828 ( -0.141 0.125 -2.291) 2.299 3.870 ( -1.805 -6.042 -6.647) 9.162 4.129 ( 2.022 0.122 -0.605) 2.114 4.161 ( 2.060 -1.461 4.161) 4.867 4.292 ( -2.719 1.635 5.858) 6.662 4.407 ( -5.547 -4.798 5.983) 9.465 4.672 ( -7.687 4.635 -1.018) 9.034 4.745 ( -14.027 2.342 -0.064) 14.221 4.945 ( -6.839 1.253 -9.149) 11.491 5.091 ( -10.365 -8.525 -7.716) 15.481 5.322 ( 3.967 8.713 -0.392) 9.582 5.465 ( -0.077 -4.188 -1.992) 4.639 5.595 ( 0.721 7.224 6.190) 9.540 5.746 ( 0.829 -7.859 10.003) 12.748 5.937 ( 1.540 7.057 -5.263) 8.938 6.096 ( 0.185 -6.734 -1.854) 6.987 6.301 ( 1.438 9.163 -0.596) 9.294 6.460 ( -0.765 -4.961 -3.148) 5.925 6.529 ( -1.120 5.736 -4.213) 7.204 6.657 ( 1.400 -5.441 -5.408) 7.798 6.876 ( 5.166 6.128 3.700) 8.828 7.018 ( 4.568 -7.602 4.067) 9.757 7.539 ( -1.971 9.954 -4.947) 11.289 7.752 ( -1.095 -10.895 -5.585) 12.292 8.490 ( -0.580 6.979 -10.415) 12.551 8.638 ( 0.086 -7.553 -7.698) 10.785 9.201 ( 6.795 4.229 0.371) 8.012 9.277 ( 5.968 -2.975 0.338) 6.677 10.461 ( 0.276 9.997 5.341) 11.337 10.580 ( 0.666 10.332 9.199) 13.849 10.610 ( -2.220 -3.466 8.740) 9.660 10.857 ( 4.002 -13.649 7.799) 16.221 11.153 ( -0.053 5.554 -4.583) 7.201 11.212 ( 3.526 -0.157 -0.256) 3.539 11.485 ( 0.389 0.266 5.590) 5.610 11.548 ( -1.614 -6.099 0.718) 6.349 11.779 ( 6.204 0.466 -9.483) 11.342 11.801 ( 6.364 -1.743 -8.606) 10.845 12.127 ( -0.946 5.145 3.964) 6.563 12.231 ( 0.024 -5.085 5.271) 7.324 13.872 ( -3.582 2.099 3.180) 5.229 13.951 ( -3.317 -5.805 3.623) 7.604 14.396 ( -5.143 3.225 2.010) 6.395 14.449 ( -4.811 -2.224 1.360) 5.472 22.170 ( 0.856 3.035 2.559) 4.061 22.224 ( 0.304 -2.434 1.890) 3.096 22.415 ( 1.641 5.857 5.941) 8.503 22.502 ( 1.118 -2.453 5.124) 5.790 22.687 ( 0.499 2.171 2.933) 3.683 22.740 ( 1.254 -3.101 1.182) 3.548 23.303 ( 1.645 3.265 -2.469) 4.411 23.385 ( 1.099 -4.376 -2.458) 5.138 23.724 ( -0.886 13.328 -6.533) 14.870 23.938 ( 0.434 -3.382 -2.989) 4.535 23.958 ( -2.336 0.121 0.931) 2.518 24.001 ( -0.042 -4.784 -0.918) 4.871 24.280 ( 0.541 0.050 -0.209) 0.582 24.313 ( 1.146 -3.805 -0.364) 3.990 25.154 ( -3.016 14.730 -0.588) 15.047 25.443 ( -1.962 -13.737 -3.989) 14.438 ======================= Grid point 96 (54/128) ======================= q-point: (-0.33 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -9.643 12.549 -4.417) 16.431 2.102 ( -9.992 -10.390 0.937) 14.446 2.411 ( -14.064 7.954 -4.820) 16.861 2.502 ( -11.188 -0.990 -2.934) 11.608 2.878 ( -6.402 11.361 1.414) 13.117 3.029 ( -1.890 0.588 2.161) 2.930 3.137 ( -0.202 0.303 -1.285) 1.336 3.181 ( 4.528 -3.981 -4.690) 7.638 3.282 ( -0.018 6.374 -3.360) 7.206 3.325 ( 1.199 -2.667 2.206) 3.663 3.511 ( -5.509 3.141 -2.892) 6.970 3.596 ( -6.675 0.697 9.077) 11.288 3.666 ( -7.634 -7.944 -5.010) 12.103 3.737 ( -10.474 -5.542 -4.151) 12.556 4.094 ( -4.696 7.428 0.861) 8.830 4.177 ( -4.177 -0.145 -0.907) 4.277 4.324 ( -3.585 -0.711 6.408) 7.377 4.373 ( -5.772 2.052 6.023) 8.591 4.481 ( -10.244 2.745 -0.624) 10.624 4.532 ( -5.298 -4.532 -2.628) 7.450 4.748 ( -5.882 -1.916 -3.732) 7.225 4.838 ( -6.522 -8.577 -5.136) 11.937 5.410 ( 2.066 7.964 0.206) 8.230 5.505 ( 3.944 0.292 3.845) 5.516 5.696 ( 4.901 12.197 -0.572) 13.157 5.868 ( -1.338 2.722 5.070) 5.908 5.944 ( 5.060 -7.025 5.694) 10.362 6.039 ( -2.603 -8.162 -2.205) 8.846 6.316 ( 1.073 4.525 -1.405) 4.858 6.371 ( -3.362 1.640 -5.998) 7.069 6.431 ( -2.228 -0.126 -5.756) 6.173 6.568 ( -2.437 -8.202 -6.775) 10.914 7.029 ( 4.921 5.726 5.455) 9.314 7.150 ( 3.517 -6.212 5.412) 8.958 7.414 ( -3.903 9.974 -7.002) 12.797 7.628 ( -3.448 -10.802 -8.428) 14.128 8.389 ( 1.541 6.921 -7.623) 10.411 8.551 ( 0.472 -9.016 -7.104) 11.488 9.328 ( 8.217 4.895 -0.540) 9.579 9.401 ( 7.454 -2.051 0.688) 7.761 10.513 ( -1.386 9.646 4.125) 10.582 10.675 ( -1.671 -5.398 6.544) 8.646 10.754 ( 5.817 14.341 10.973) 18.972 11.029 ( 3.210 -9.144 6.607) 11.729 11.144 ( 7.446 4.015 -2.720) 8.886 11.283 ( 7.407 -6.319 -3.623) 10.388 11.513 ( -3.227 -1.266 1.473) 3.767 11.541 ( -1.028 -3.542 1.764) 4.088 11.838 ( 13.207 2.622 -6.957) 15.156 11.886 ( 14.583 -1.917 -5.000) 15.535 12.191 ( 3.035 5.719 3.404) 7.315 12.309 ( 2.522 -5.754 3.690) 7.286 13.795 ( -10.991 1.929 3.871) 11.812 13.877 ( -11.529 -6.444 3.854) 13.759 14.287 ( -10.842 2.971 2.296) 11.474 14.338 ( -10.611 -2.177 1.777) 10.977 22.213 ( 0.251 2.675 2.679) 3.794 22.258 ( 0.890 -2.017 1.818) 2.858 22.540 ( 2.414 4.523 8.910) 10.280 22.601 ( 2.635 -0.537 5.941) 6.521 22.763 ( 4.449 2.249 3.328) 5.994 22.802 ( 4.104 -1.701 1.705) 4.759 23.314 ( 3.072 2.639 -2.996) 5.038 23.396 ( 3.284 -4.702 -1.760) 5.999 23.607 ( -1.530 10.692 -8.562) 13.783 23.790 ( -4.510 -6.741 -8.941) 12.072 23.990 ( 0.778 2.030 2.119) 3.036 24.024 ( 0.325 -1.206 1.688) 2.100 24.292 ( 1.315 0.772 -0.465) 1.594 24.329 ( 1.945 -2.860 -1.128) 3.638 25.065 ( -7.341 12.003 0.412) 14.076 25.321 ( -6.427 -13.221 -4.610) 15.406 ======================= Grid point 97 (55/128) ======================= q-point: (-0.22 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -10.312 16.662 -0.094) 19.595 1.944 ( -13.806 -1.455 2.853) 14.173 2.073 ( -16.621 -0.368 -5.146) 17.403 2.249 ( -13.003 -9.369 -4.082) 16.539 2.775 ( -10.314 10.069 3.275) 14.782 2.916 ( -14.231 -2.973 -2.197) 14.703 3.058 ( -3.483 2.914 -2.565) 5.216 3.082 ( -6.571 -0.959 -10.302) 12.257 3.218 ( -6.198 14.527 -1.612) 15.876 3.330 ( -6.755 6.474 4.930) 10.576 3.419 ( 0.904 -5.039 -0.646) 5.160 3.440 ( -6.070 -4.895 -6.073) 9.883 3.499 ( -6.248 3.592 1.819) 7.433 3.625 ( -5.486 -8.802 4.849) 11.449 4.055 ( -4.343 5.034 -4.399) 7.972 4.089 ( -1.049 2.542 4.888) 5.609 4.304 ( -3.664 -2.052 1.006) 4.318 4.386 ( -3.053 -2.987 4.856) 6.467 4.429 ( -1.147 1.527 1.731) 2.577 4.470 ( 0.191 -6.500 4.806) 8.086 4.689 ( -0.731 1.172 2.475) 2.835 4.780 ( 0.689 -6.503 2.154) 6.885 5.373 ( -4.034 15.043 -2.769) 15.819 5.588 ( -0.001 -5.270 2.830) 5.982 5.707 ( 3.000 10.924 -6.318) 12.971 5.933 ( -1.023 2.032 1.043) 2.503 5.993 ( -0.108 -8.198 3.655) 8.976 6.108 ( 2.583 -8.007 4.335) 9.464 6.243 ( -2.566 6.142 -4.160) 7.850 6.315 ( 1.265 2.895 -2.091) 3.788 6.346 ( 0.966 -4.952 -3.790) 6.311 6.436 ( -3.510 -8.100 -5.044) 10.167 7.144 ( 0.739 4.832 5.102) 7.066 7.240 ( -0.931 -2.482 4.529) 5.248 7.260 ( -2.807 6.050 -7.373) 9.942 7.450 ( -3.971 -10.142 -9.777) 14.636 8.359 ( 2.694 4.976 -3.160) 6.481 8.495 ( 1.042 -8.340 -3.711) 9.188 9.444 ( 7.369 5.650 -2.181) 9.538 9.518 ( 6.092 -1.495 -0.530) 6.295 10.518 ( -1.212 10.464 0.662) 10.554 10.703 ( -1.252 -7.065 2.193) 7.503 11.011 ( 6.160 11.489 12.616) 18.142 11.102 ( 3.186 4.281 1.695) 5.599 11.288 ( 5.333 -6.024 -4.116) 9.037 11.337 ( 6.384 -7.068 -5.633) 11.065 11.490 ( 2.567 1.800 -1.433) 3.447 11.572 ( 7.928 -5.613 -1.118) 9.778 12.027 ( 13.671 6.213 0.219) 15.018 12.132 ( 17.501 -4.173 -0.383) 17.996 12.308 ( 7.346 4.174 1.864) 8.652 12.400 ( 4.663 -4.881 1.883) 7.008 13.604 ( -17.555 0.938 4.006) 18.030 13.663 ( -19.198 -5.303 3.605) 20.240 14.101 ( -14.785 2.663 2.230) 15.188 14.152 ( -14.864 -2.518 2.410) 15.267 22.236 ( -0.191 2.551 0.993) 2.744 22.288 ( 0.069 -2.723 1.581) 3.150 22.677 ( 2.797 4.694 5.250) 7.578 22.733 ( 3.956 0.086 6.557) 7.658 22.905 ( 4.242 1.079 2.883) 5.241 22.930 ( 8.437 -0.587 5.891) 10.307 23.300 ( 0.318 4.842 -5.257) 7.154 23.422 ( 2.319 -6.402 -4.945) 8.415 23.519 ( 2.597 6.470 -3.908) 7.992 23.628 ( -1.359 -4.264 -6.380) 7.793 24.026 ( 1.260 1.738 1.425) 2.576 24.047 ( 1.135 -0.127 0.659) 1.318 24.305 ( 1.620 1.695 -1.955) 3.052 24.344 ( 2.336 -1.902 -2.567) 3.958 24.935 ( -10.473 7.719 3.022) 13.357 25.125 ( -10.935 -11.087 -3.641) 15.992 ======================= Grid point 98 (56/128) ======================= q-point: (-0.11 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -16.172 18.045 3.117) 24.430 1.732 ( -7.397 18.726 0.907) 20.155 1.824 ( -12.908 -15.136 2.321) 20.028 2.097 ( -0.760 -15.829 0.995) 15.878 2.575 ( -15.983 3.913 0.403) 16.460 2.627 ( -13.286 -1.419 -0.840) 13.388 2.900 ( -2.628 6.853 -2.126) 7.641 2.962 ( -5.460 3.710 -2.241) 6.971 3.084 ( -2.793 12.649 -4.901) 13.850 3.252 ( -5.390 -0.588 -2.905) 6.152 3.349 ( -0.824 3.365 1.754) 3.883 3.448 ( 0.127 -4.476 5.806) 7.332 3.530 ( 1.608 3.226 2.919) 4.639 3.627 ( -2.047 -6.123 4.540) 7.892 3.953 ( -0.662 6.480 -4.029) 7.659 4.112 ( -2.317 -4.554 3.414) 6.145 4.250 ( -2.826 -1.689 -0.830) 3.396 4.320 ( -1.345 -8.587 -4.369) 9.728 4.524 ( -1.391 4.181 11.658) 12.463 4.602 ( -0.183 -4.139 12.028) 12.722 4.750 ( 3.212 4.913 2.864) 6.531 4.862 ( 3.409 -5.589 2.650) 7.063 5.240 ( -4.548 19.357 -4.664) 20.424 5.585 ( -1.901 -6.273 -0.409) 6.567 5.695 ( 4.090 0.979 -3.682) 5.589 5.831 ( -2.668 -11.076 -8.354) 14.128 6.046 ( -2.865 2.588 4.303) 5.781 6.109 ( -0.186 1.035 -0.154) 1.062 6.169 ( -3.345 2.904 -1.615) 4.715 6.292 ( -1.119 -5.558 -1.772) 5.940 6.386 ( 3.900 -0.125 0.601) 3.948 6.429 ( 3.303 -3.693 1.465) 5.166 7.114 ( -2.817 6.844 -3.642) 8.248 7.169 ( -1.160 2.296 -4.300) 5.011 7.268 ( -1.768 -2.706 2.263) 3.946 7.321 ( -0.361 -8.476 -1.748) 8.662 8.395 ( 2.659 3.256 1.334) 4.410 8.502 ( 1.785 -7.168 0.843) 7.434 9.506 ( 5.022 5.890 -4.613) 9.011 9.578 ( 3.557 -1.083 -2.737) 4.617 10.496 ( -0.229 10.924 -2.244) 11.154 10.691 ( -0.895 -7.133 -1.119) 7.276 11.139 ( 0.232 2.642 1.796) 3.203 11.158 ( -2.791 2.289 -12.002) 12.533 11.245 ( 2.490 -0.179 7.337) 7.750 11.359 ( 0.763 -8.006 -1.309) 8.149 11.615 ( 14.001 6.340 -3.503) 15.764 11.738 ( 14.335 -5.164 -7.067) 16.796 12.261 ( 7.442 6.168 7.731) 12.377 12.384 ( 6.550 -5.780 4.927) 10.029 12.480 ( 13.046 2.661 -1.261) 13.374 12.535 ( 13.290 -2.603 -1.787) 13.660 13.337 ( -20.418 0.456 5.189) 21.072 13.373 ( -21.430 -3.343 6.241) 22.569 13.872 ( -13.765 2.522 0.668) 14.010 13.921 ( -14.290 -2.423 0.848) 14.519 22.231 ( -0.383 2.679 -0.880) 2.846 22.295 ( -0.859 -3.593 0.637) 3.749 22.749 ( 2.146 6.718 -1.687) 7.251 22.837 ( 0.664 -1.417 1.294) 2.031 22.965 ( 0.268 5.249 0.177) 5.259 23.095 ( 3.366 -5.923 1.391) 6.953 23.244 ( 1.497 3.735 -3.007) 5.023 23.354 ( -1.229 -5.887 -2.699) 6.592 23.612 ( 7.425 1.753 3.108) 8.238 23.638 ( 4.247 -1.002 0.717) 4.422 24.078 ( 2.594 2.145 1.382) 3.638 24.105 ( 6.242 -0.137 1.064) 6.333 24.289 ( 1.115 2.379 -4.159) 4.920 24.338 ( 2.415 -2.086 -5.069) 5.990 24.798 ( -11.831 4.285 4.145) 13.249 24.910 ( -11.147 -6.739 1.331) 13.093 ======================= Grid point 126 (57/128) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 6.987 0.000 10.768) 12.836 1.084 ( -8.454 0.000 21.218) 22.840 1.435 ( -8.875 0.000 -14.257) 16.794 2.076 ( -4.195 0.000 21.058) 21.471 2.280 ( -0.253 0.000 14.274) 14.276 2.502 ( 2.186 0.000 1.467) 2.632 2.580 ( 8.801 0.000 -3.525) 9.480 2.844 ( -0.744 0.000 3.013) 3.104 2.855 ( -6.667 0.000 -2.445) 7.101 3.272 ( 0.613 0.000 -1.545) 1.662 3.308 ( 6.768 0.000 3.254) 7.510 3.576 ( 3.362 0.000 -1.582) 3.716 3.876 ( 2.410 0.000 -0.186) 2.417 3.891 ( -0.465 0.000 5.533) 5.552 4.110 ( 8.446 0.000 10.362) 13.368 4.136 ( 8.629 0.000 -5.703) 10.343 4.571 ( 2.160 0.000 6.968) 7.295 4.590 ( -1.391 0.000 8.119) 8.237 4.604 ( 5.511 0.000 6.253) 8.335 4.712 ( -10.871 0.000 -1.377) 10.958 4.784 ( 5.294 0.000 6.509) 8.390 4.979 ( -3.740 0.000 1.645) 4.086 5.315 ( 4.716 0.000 1.395) 4.918 5.345 ( -1.348 0.000 1.468) 1.993 5.671 ( -6.933 0.000 5.578) 8.898 5.757 ( -2.502 0.000 -5.404) 5.955 5.798 ( 1.960 0.000 -7.499) 7.751 6.016 ( -17.146 0.000 -5.364) 17.966 6.180 ( -2.788 0.000 -3.408) 4.403 6.366 ( 11.689 0.000 -14.108) 18.321 6.509 ( 4.770 0.000 5.772) 7.488 6.650 ( -2.227 0.000 -0.305) 2.248 6.955 ( 0.268 0.000 -0.784) 0.829 6.979 ( -0.718 0.000 -1.087) 1.303 7.349 ( -9.370 0.000 -0.398) 9.379 7.557 ( 12.010 0.000 -6.814) 13.809 8.688 ( 0.668 0.000 7.818) 7.846 8.885 ( -6.733 0.000 1.793) 6.968 9.003 ( 6.337 0.000 -9.219) 11.187 9.375 ( 0.001 0.000 -2.252) 2.252 9.736 ( 1.391 0.000 1.426) 1.992 10.144 ( -2.024 0.000 -7.405) 7.677 10.944 ( -4.641 0.000 5.370) 7.097 11.176 ( 3.633 0.000 -4.791) 6.013 11.265 ( -0.250 0.000 -7.359) 7.364 11.606 ( -3.415 0.000 3.549) 4.925 11.774 ( 3.439 0.000 -3.668) 5.028 12.036 ( 4.404 0.000 -13.408) 14.113 12.342 ( -6.846 0.000 2.881) 7.427 12.439 ( 9.583 0.000 0.661) 9.606 12.712 ( -4.216 0.000 3.269) 5.335 12.856 ( 19.597 0.000 1.887) 19.688 13.269 ( -24.183 0.000 10.303) 26.287 13.656 ( 2.486 0.000 0.422) 2.522 13.731 ( 8.501 0.000 -2.483) 8.857 13.789 ( -16.682 0.000 -2.818) 16.919 21.809 ( 1.539 0.000 -0.120) 1.544 21.990 ( -1.815 0.000 -6.004) 6.272 22.505 ( -2.890 0.000 2.985) 4.155 22.693 ( -1.557 0.000 -2.550) 2.988 22.887 ( 4.280 0.000 3.793) 5.718 22.999 ( 0.056 0.000 1.691) 1.692 23.531 ( 0.305 0.000 -0.734) 0.795 23.571 ( -0.721 0.000 -3.802) 3.870 23.660 ( 2.851 0.000 -0.821) 2.967 23.671 ( -17.500 0.000 -1.159) 17.538 23.960 ( 3.124 0.000 5.037) 5.927 23.993 ( -11.825 0.000 2.430) 12.072 24.291 ( 2.854 0.000 -1.313) 3.141 24.300 ( 3.062 0.000 -3.877) 4.940 24.909 ( -12.758 0.000 8.472) 15.315 25.242 ( 28.140 0.000 -1.713) 28.192 ======================= Grid point 127 (58/128) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 7.945 0.000 2.303) 8.272 1.343 ( 36.378 0.000 5.089) 36.732 1.472 ( 9.230 0.000 10.283) 13.818 2.242 ( 7.955 0.000 -4.300) 9.043 2.416 ( -4.611 0.000 19.227) 19.772 2.599 ( 1.337 0.000 1.494) 2.004 2.714 ( 0.385 0.000 -5.771) 5.784 2.742 ( 6.112 0.000 5.196) 8.023 2.907 ( 7.877 0.000 -3.163) 8.489 3.278 ( 3.443 0.000 -2.140) 4.053 3.514 ( 10.421 0.000 2.973) 10.837 3.629 ( 2.578 0.000 -0.036) 2.579 3.907 ( -5.397 0.000 4.026) 6.734 3.926 ( 2.066 0.000 5.467) 5.844 4.190 ( 3.849 0.000 -1.467) 4.119 4.255 ( 7.973 0.000 -6.936) 10.568 4.438 ( -10.496 0.000 -8.065) 13.236 4.651 ( -2.828 0.000 6.148) 6.768 4.716 ( -1.915 0.000 8.669) 8.878 4.821 ( 9.471 0.000 5.462) 10.933 4.925 ( 4.015 0.000 6.509) 7.647 5.024 ( 3.000 0.000 4.859) 5.710 5.254 ( -10.408 0.000 2.939) 10.815 5.410 ( 0.485 0.000 6.272) 6.290 5.592 ( -8.146 0.000 2.752) 8.599 5.642 ( -3.497 0.000 -3.130) 4.694 5.770 ( 4.694 0.000 -3.984) 6.156 5.779 ( -0.053 0.000 -9.180) 9.180 6.127 ( 0.419 0.000 -1.769) 1.817 6.384 ( 9.247 0.000 -13.243) 16.152 6.585 ( -3.546 0.000 -2.440) 4.304 6.623 ( 1.198 0.000 1.042) 1.588 6.947 ( -2.618 0.000 4.451) 5.164 7.000 ( 4.027 0.000 1.243) 4.214 7.216 ( -3.537 0.000 -2.905) 4.577 7.705 ( 14.747 0.000 -6.680) 16.189 8.758 ( -2.732 0.000 -3.657) 4.565 8.817 ( -5.459 0.000 13.702) 14.749 8.980 ( 4.161 0.000 -8.607) 9.560 9.359 ( 1.452 0.000 -2.506) 2.896 9.821 ( 5.215 0.000 3.424) 6.239 10.033 ( 1.480 0.000 -9.743) 9.854 10.965 ( -6.396 0.000 11.385) 13.059 11.160 ( 1.496 0.000 -4.696) 4.928 11.168 ( -1.865 0.000 -5.648) 5.948 11.573 ( -7.204 0.000 6.163) 9.481 11.683 ( -4.473 0.000 -10.476) 11.391 11.931 ( 1.276 0.000 -10.542) 10.619 12.220 ( -10.409 0.000 2.756) 10.768 12.305 ( -18.268 0.000 3.602) 18.619 12.606 ( -10.244 0.000 1.687) 10.382 12.925 ( -17.970 0.000 1.262) 18.014 13.333 ( 18.467 0.000 4.966) 19.123 13.710 ( 6.250 0.000 -1.023) 6.333 13.788 ( 9.492 0.000 2.940) 9.937 13.939 ( 17.205 0.000 -1.304) 17.254 21.854 ( 3.163 0.000 1.103) 3.350 21.909 ( 0.438 0.000 -5.305) 5.323 22.500 ( -2.744 0.000 3.656) 4.571 22.630 ( -2.815 0.000 -1.782) 3.331 22.983 ( 2.461 0.000 2.810) 3.736 23.005 ( -0.057 0.000 -0.527) 0.530 23.257 ( -22.629 0.000 4.639) 23.100 23.474 ( -5.548 0.000 -2.381) 6.037 23.634 ( 3.052 0.000 0.766) 3.147 23.691 ( 0.617 0.000 0.029) 0.618 23.942 ( -1.361 0.000 1.625) 2.120 24.079 ( 2.189 0.000 5.340) 5.772 24.337 ( 4.332 0.000 -1.336) 4.533 24.345 ( 8.530 0.000 -3.330) 9.157 24.780 ( -12.310 0.000 4.963) 13.273 25.562 ( 18.029 0.000 -7.087) 19.372 ======================= Grid point 128 (59/128) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 17.131 0.000 12.401) 21.148 1.817 ( 16.515 0.000 9.729) 19.167 1.996 ( 30.447 0.000 5.464) 30.933 2.258 ( 10.090 0.000 -12.836) 16.327 2.415 ( -6.169 0.000 -12.456) 13.900 2.513 ( -1.920 0.000 1.270) 2.302 2.841 ( 5.683 0.000 3.499) 6.673 2.890 ( 2.003 0.000 8.597) 8.827 3.057 ( 9.760 0.000 5.307) 11.110 3.331 ( 3.867 0.000 -0.255) 3.875 3.602 ( -2.153 0.000 -6.723) 7.060 3.641 ( 8.277 0.000 -4.938) 9.638 3.820 ( -5.211 0.000 0.411) 5.227 4.001 ( -1.715 0.000 0.328) 1.746 4.208 ( -7.138 0.000 -3.583) 7.987 4.296 ( 13.194 0.000 -13.830) 19.114 4.328 ( 8.645 0.000 7.499) 11.444 4.631 ( -2.625 0.000 -1.084) 2.840 4.726 ( -5.275 0.000 4.183) 6.732 4.885 ( -1.603 0.000 -3.717) 4.048 5.044 ( 1.571 0.000 0.266) 1.593 5.106 ( 5.771 0.000 -4.140) 7.102 5.290 ( 3.629 0.000 14.027) 14.489 5.447 ( -2.132 0.000 2.656) 3.406 5.514 ( -6.110 0.000 6.260) 8.747 5.610 ( -2.756 0.000 6.122) 6.714 5.742 ( 7.803 0.000 -9.369) 12.193 5.864 ( 3.522 0.000 5.406) 6.452 6.138 ( 1.050 0.000 -0.390) 1.120 6.328 ( 0.277 0.000 -9.450) 9.454 6.493 ( -2.165 0.000 -3.852) 4.418 6.565 ( -4.777 0.000 0.023) 4.777 7.061 ( 4.912 0.000 6.210) 7.918 7.093 ( 5.664 0.000 -0.041) 5.664 7.145 ( -1.195 0.000 -1.989) 2.320 7.854 ( 11.987 0.000 -6.239) 13.514 8.618 ( -7.604 0.000 -2.635) 8.048 8.922 ( -3.139 0.000 12.579) 12.964 8.944 ( 3.917 0.000 -7.791) 8.720 9.350 ( 1.470 0.000 -3.662) 3.946 9.965 ( 4.144 0.000 -9.165) 10.058 9.975 ( 6.318 0.000 5.054) 8.090 10.964 ( -9.355 0.000 9.233) 13.144 11.071 ( -2.810 0.000 -3.552) 4.529 11.137 ( -2.452 0.000 2.939) 3.828 11.442 ( -7.554 0.000 -9.193) 11.899 11.531 ( -7.772 0.000 7.691) 10.934 11.816 ( -0.303 0.000 -9.786) 9.790 12.063 ( -15.534 0.000 4.295) 16.117 12.077 ( -6.893 0.000 -3.211) 7.604 12.478 ( -7.690 0.000 3.212) 8.334 12.624 ( -18.848 0.000 1.108) 18.881 13.655 ( 14.483 0.000 2.967) 14.783 13.859 ( 11.494 0.000 -0.926) 11.531 13.995 ( 8.878 0.000 4.981) 10.180 14.209 ( 15.860 0.000 -0.743) 15.877 21.878 ( 2.585 0.000 -4.072) 4.823 21.934 ( 3.814 0.000 2.274) 4.440 22.496 ( -3.504 0.000 3.991) 5.311 22.563 ( -3.383 0.000 -0.629) 3.441 22.977 ( -14.972 0.000 7.974) 16.963 22.988 ( 0.499 0.000 -2.968) 3.010 23.069 ( 0.219 0.000 -0.242) 0.327 23.351 ( -6.282 0.000 -0.807) 6.334 23.679 ( -2.001 0.000 0.121) 2.005 23.684 ( 2.072 0.000 0.574) 2.150 23.949 ( -0.268 0.000 1.256) 1.284 24.140 ( -0.237 0.000 2.676) 2.686 24.392 ( 4.495 0.000 -2.170) 4.991 24.454 ( 1.972 0.000 -0.132) 1.977 24.677 ( -1.276 0.000 2.520) 2.825 25.704 ( 11.295 0.000 -8.315) 14.025 ======================= Grid point 129 (60/128) ======================= q-point: ( 0.33 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 6.146 0.000 15.880) 17.028 2.141 ( 1.424 0.000 1.645) 2.176 2.176 ( 0.890 0.000 -7.272) 7.326 2.285 ( 17.029 0.000 -4.063) 17.507 2.302 ( -0.912 0.000 -10.165) 10.205 2.617 ( 18.762 0.000 -0.340) 18.765 2.867 ( -3.791 0.000 -0.389) 3.810 3.030 ( 4.070 0.000 6.799) 7.924 3.316 ( 7.885 0.000 11.536) 13.973 3.382 ( 1.616 0.000 -1.276) 2.058 3.416 ( -2.742 0.000 -10.617) 10.965 3.668 ( 1.687 0.000 -7.130) 7.327 3.848 ( 2.823 0.000 5.235) 5.947 3.963 ( -0.354 0.000 -0.038) 0.356 4.096 ( -3.292 0.000 -0.089) 3.293 4.382 ( 16.659 0.000 -13.880) 21.683 4.417 ( 6.353 0.000 -14.329) 15.674 4.656 ( 1.392 0.000 6.519) 6.666 4.690 ( -0.794 0.000 0.105) 0.801 4.801 ( -3.506 0.000 -1.099) 3.675 5.057 ( 1.933 0.000 -3.475) 3.976 5.130 ( 5.995 0.000 -7.583) 9.667 5.396 ( -4.225 0.000 5.164) 6.672 5.436 ( -1.848 0.000 1.271) 2.243 5.586 ( -3.893 0.000 10.374) 11.081 5.648 ( -4.865 0.000 8.221) 9.552 5.812 ( 13.453 0.000 -6.809) 15.078 5.955 ( -4.537 0.000 8.418) 9.563 6.120 ( 0.852 0.000 -2.196) 2.356 6.216 ( -1.426 0.000 -2.976) 3.300 6.435 ( -0.016 0.000 -2.685) 2.685 6.555 ( -1.625 0.000 6.823) 7.014 7.026 ( -2.526 0.000 -6.914) 7.361 7.164 ( 4.341 0.000 -2.752) 5.139 7.259 ( 4.025 0.000 6.049) 7.266 7.928 ( 6.886 0.000 -7.947) 10.516 8.460 ( -8.182 0.000 -1.650) 8.346 8.934 ( 5.464 0.000 -6.608) 8.575 9.004 ( -4.451 0.000 11.509) 12.340 9.313 ( 0.651 0.000 -4.928) 4.971 9.947 ( 5.458 0.000 -7.023) 8.895 10.102 ( 1.695 0.000 3.084) 3.520 10.911 ( -8.089 0.000 7.642) 11.128 11.016 ( -0.267 0.000 -0.010) 0.267 11.129 ( -8.443 0.000 9.677) 12.843 11.280 ( -2.428 0.000 -2.846) 3.741 11.513 ( -4.219 0.000 6.082) 7.402 11.697 ( 2.086 0.000 -11.974) 12.154 11.912 ( -8.817 0.000 4.032) 9.695 11.931 ( -3.218 0.000 -5.830) 6.659 12.343 ( -15.632 0.000 -0.385) 15.637 12.430 ( -3.803 0.000 3.846) 5.409 13.884 ( 8.765 0.000 2.901) 9.232 14.048 ( 10.550 0.000 2.226) 10.783 14.176 ( 4.275 0.000 6.101) 7.449 14.417 ( 9.906 0.000 -0.696) 9.931 21.895 ( 4.365 0.000 -2.770) 5.170 22.020 ( 2.415 0.000 2.547) 3.510 22.477 ( -4.740 0.000 4.181) 6.321 22.510 ( -2.724 0.000 0.815) 2.843 22.848 ( -11.134 0.000 7.916) 13.661 22.940 ( 0.209 0.000 -6.038) 6.042 23.083 ( 0.848 0.000 -0.956) 1.278 23.285 ( -2.588 0.000 3.391) 4.266 23.632 ( -2.659 0.000 -1.410) 3.010 23.722 ( 1.420 0.000 1.153) 1.829 23.958 ( -0.147 0.000 0.617) 0.634 24.144 ( -1.324 0.000 -0.088) 1.327 24.378 ( -4.909 0.000 -1.926) 5.273 24.419 ( 2.873 0.000 -3.777) 4.746 24.806 ( 5.954 0.000 5.829) 8.333 25.753 ( 7.759 0.000 -9.178) 12.019 ======================= Grid point 130 (61/128) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -12.924 0.000 2.411) 13.147 1.950 ( -15.828 0.000 -4.518) 16.460 2.226 ( 1.930 0.000 8.467) 8.684 2.247 ( 10.803 0.000 -12.822) 16.766 2.609 ( 20.050 0.000 -4.002) 20.446 2.798 ( -0.410 0.000 4.374) 4.393 2.817 ( -4.190 0.000 7.008) 8.165 3.173 ( 5.673 0.000 1.084) 5.775 3.236 ( 2.632 0.000 -13.162) 13.423 3.446 ( -5.593 0.000 -1.076) 5.695 3.452 ( 0.321 0.000 4.933) 4.944 3.659 ( 9.278 0.000 -1.893) 9.469 3.933 ( -1.654 0.000 7.214) 7.401 3.938 ( 0.108 0.000 -4.017) 4.019 4.124 ( 5.005 0.000 0.073) 5.006 4.343 ( -1.019 0.000 -8.271) 8.334 4.485 ( 13.385 0.000 -11.000) 17.324 4.670 ( -3.489 0.000 -2.965) 4.579 4.722 ( 5.569 0.000 -2.250) 6.007 4.742 ( -4.534 0.000 3.563) 5.767 5.014 ( -0.019 0.000 -5.756) 5.756 5.122 ( 3.663 0.000 -7.161) 8.044 5.371 ( -6.447 0.000 6.337) 9.040 5.410 ( -4.411 0.000 2.321) 4.984 5.521 ( -10.195 0.000 2.350) 10.463 5.630 ( -7.385 0.000 7.156) 10.283 5.888 ( -8.104 0.000 1.445) 8.232 6.016 ( 18.378 0.000 -3.052) 18.630 6.186 ( 3.634 0.000 4.608) 5.868 6.272 ( 7.257 0.000 1.933) 7.510 6.426 ( 1.722 0.000 -1.809) 2.497 6.629 ( -0.939 0.000 5.755) 5.831 6.885 ( -5.070 0.000 -3.744) 6.303 7.163 ( 0.673 0.000 -3.951) 4.008 7.337 ( 1.534 0.000 -0.367) 1.578 7.887 ( 2.948 0.000 -11.819) 12.181 8.323 ( -6.908 0.000 0.635) 6.937 8.945 ( 5.764 0.000 -8.226) 10.044 9.059 ( -4.368 0.000 9.809) 10.737 9.279 ( 1.771 0.000 -2.538) 3.095 9.967 ( 5.466 0.000 -5.047) 7.440 10.100 ( -2.634 0.000 -0.853) 2.768 10.899 ( -5.259 0.000 8.361) 9.877 11.073 ( 4.649 0.000 3.210) 5.650 11.095 ( -10.111 0.000 10.995) 14.938 11.289 ( 2.133 0.000 3.408) 4.020 11.533 ( 1.855 0.000 -0.379) 1.893 11.601 ( 5.141 0.000 -13.503) 14.449 11.856 ( 2.097 0.000 -4.670) 5.119 11.860 ( -5.123 0.000 5.800) 7.739 12.109 ( -12.106 0.000 0.391) 12.112 12.433 ( -0.691 0.000 2.434) 2.530 14.013 ( 2.160 0.000 3.959) 4.510 14.261 ( 9.388 0.000 5.552) 10.907 14.268 ( -1.665 0.000 5.221) 5.480 14.505 ( 2.015 0.000 -1.386) 2.445 21.951 ( 5.632 0.000 -1.686) 5.879 22.053 ( -1.443 0.000 0.898) 1.700 22.449 ( -4.616 0.000 4.514) 6.456 22.508 ( 0.118 0.000 2.742) 2.745 22.796 ( -6.992 0.000 7.770) 10.453 22.869 ( 1.028 0.000 -6.307) 6.390 23.065 ( -1.192 0.000 -1.444) 1.872 23.345 ( 1.721 0.000 6.641) 6.860 23.566 ( -1.221 0.000 -3.861) 4.050 23.757 ( 0.669 0.000 1.427) 1.576 23.958 ( -0.204 0.000 -0.210) 0.293 24.087 ( -2.744 0.000 -3.234) 4.242 24.313 ( -1.071 0.000 -0.671) 1.264 24.395 ( 0.768 0.000 -4.711) 4.773 24.947 ( 0.769 0.000 7.719) 7.757 25.748 ( 6.043 0.000 -10.265) 11.912 ======================= Grid point 131 (62/128) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -20.213 0.000 1.829) 20.296 1.640 ( -20.662 0.000 4.951) 21.247 2.310 ( 12.550 0.000 -9.043) 15.469 2.349 ( -0.174 0.000 11.259) 11.260 2.734 ( -11.186 0.000 0.833) 11.217 2.771 ( 10.616 0.000 -9.581) 14.300 2.905 ( 2.429 0.000 5.393) 5.915 3.164 ( -4.186 0.000 -6.403) 7.650 3.187 ( 2.364 0.000 -3.880) 4.543 3.303 ( -3.992 0.000 -6.118) 7.305 3.486 ( -3.223 0.000 5.325) 6.225 3.722 ( 3.814 0.000 -4.995) 6.284 3.921 ( -2.700 0.000 2.065) 3.399 4.012 ( -1.389 0.000 8.518) 8.631 4.069 ( -19.126 0.000 -8.110) 20.774 4.176 ( 3.477 0.000 -3.876) 5.207 4.502 ( 2.580 0.000 -12.526) 12.789 4.530 ( -4.284 0.000 -6.178) 7.517 4.741 ( -4.329 0.000 6.330) 7.669 4.797 ( 3.198 0.000 3.805) 4.971 4.949 ( -0.801 0.000 -3.454) 3.545 5.078 ( -1.014 0.000 -2.964) 3.132 5.323 ( -8.805 0.000 3.336) 9.415 5.339 ( -7.530 0.000 2.967) 8.093 5.427 ( -4.568 0.000 7.493) 8.776 5.642 ( 0.310 0.000 6.167) 6.175 5.797 ( -1.210 0.000 -2.021) 2.356 6.288 ( 1.627 0.000 2.871) 3.300 6.303 ( 10.529 0.000 4.415) 11.417 6.427 ( 10.155 0.000 -9.695) 14.040 6.453 ( 12.157 0.000 -0.871) 12.188 6.566 ( -5.560 0.000 -5.360) 7.723 6.870 ( -0.886 0.000 8.565) 8.610 7.116 ( -1.176 0.000 -1.242) 1.710 7.333 ( 0.926 0.000 -1.845) 2.064 7.755 ( 1.507 0.000 -15.589) 15.662 8.274 ( -2.393 0.000 4.612) 5.196 8.914 ( 5.621 0.000 -11.627) 12.915 9.090 ( -4.455 0.000 6.851) 8.172 9.321 ( 3.223 0.000 1.637) 3.615 10.002 ( 4.848 0.000 -3.159) 5.786 10.023 ( -4.017 0.000 -2.147) 4.554 10.926 ( -3.442 0.000 7.529) 8.279 11.079 ( -7.603 0.000 10.733) 13.153 11.245 ( 10.684 0.000 4.230) 11.491 11.386 ( 2.740 0.000 4.531) 5.295 11.539 ( 5.549 0.000 -8.977) 10.553 11.545 ( 6.900 0.000 -12.067) 13.901 11.828 ( -4.614 0.000 -1.948) 5.008 11.885 ( 6.928 0.000 -3.126) 7.600 12.019 ( -5.428 0.000 12.590) 13.711 12.460 ( 1.986 0.000 0.096) 1.988 14.055 ( -4.341 0.000 5.930) 7.349 14.244 ( -7.129 0.000 2.912) 7.701 14.448 ( -5.588 0.000 -2.956) 6.321 14.482 ( 7.943 0.000 6.959) 10.560 22.002 ( -3.928 0.000 -1.059) 4.068 22.034 ( 6.174 0.000 -0.947) 6.246 22.443 ( -2.910 0.000 4.906) 5.704 22.575 ( 2.785 0.000 3.797) 4.708 22.793 ( -3.821 0.000 5.931) 7.055 22.835 ( 2.492 0.000 -4.286) 4.958 23.018 ( -3.550 0.000 1.244) 3.762 23.468 ( 2.485 0.000 4.686) 5.304 23.516 ( 2.174 0.000 -3.055) 3.750 23.762 ( -1.380 0.000 -0.623) 1.514 23.948 ( -0.041 0.000 -0.552) 0.554 23.997 ( -2.682 0.000 -3.647) 4.528 24.306 ( 0.323 0.000 -0.209) 0.385 24.347 ( -0.174 0.000 -3.390) 3.394 25.018 ( -4.008 0.000 8.877) 9.739 25.707 ( 5.213 0.000 -11.962) 13.049 ======================= Grid point 132 (63/128) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -23.310 0.000 6.242) 24.131 1.420 ( -23.343 0.000 19.490) 30.410 2.396 ( -14.725 0.000 -5.168) 15.606 2.454 ( 0.629 0.000 -3.082) 3.146 2.503 ( -0.898 0.000 14.165) 14.194 2.780 ( 8.068 0.000 -12.582) 14.947 2.936 ( -5.613 0.000 -4.245) 7.038 2.945 ( -10.631 0.000 -5.331) 11.893 3.148 ( -4.581 0.000 7.256) 8.581 3.179 ( -1.439 0.000 -6.659) 6.812 3.539 ( 2.571 0.000 4.646) 5.310 3.552 ( -27.019 0.000 -6.673) 27.831 3.702 ( 0.496 0.000 -4.791) 4.817 3.942 ( 0.464 0.000 3.072) 3.107 3.992 ( -9.588 0.000 2.215) 9.840 4.120 ( -5.905 0.000 -12.052) 13.421 4.332 ( -4.006 0.000 1.387) 4.239 4.414 ( -2.305 0.000 -3.993) 4.611 4.719 ( -6.432 0.000 4.663) 7.945 4.862 ( -4.875 0.000 -5.845) 7.611 4.918 ( -0.003 0.000 9.206) 9.206 5.035 ( -0.842 0.000 -0.807) 1.166 5.216 ( -6.585 0.000 3.741) 7.574 5.257 ( -3.579 0.000 -0.661) 3.639 5.512 ( -1.490 0.000 11.490) 11.587 5.749 ( 4.358 0.000 0.029) 4.358 5.829 ( 6.789 0.000 1.168) 6.889 6.275 ( -3.437 0.000 -1.297) 3.674 6.330 ( -3.093 0.000 -1.239) 3.332 6.433 ( -2.548 0.000 -3.634) 4.438 6.536 ( 6.589 0.000 0.865) 6.646 6.668 ( 17.413 0.000 -12.478) 21.422 6.966 ( 0.259 0.000 5.407) 5.413 7.160 ( 5.905 0.000 3.549) 6.889 7.361 ( 1.581 0.000 3.849) 4.161 7.576 ( 1.721 0.000 -17.409) 17.494 8.349 ( 1.317 0.000 8.204) 8.309 8.880 ( 7.491 0.000 -10.879) 13.209 9.073 ( -5.055 0.000 3.472) 6.132 9.392 ( 1.942 0.000 2.108) 2.866 9.922 ( -5.088 0.000 -2.087) 5.499 10.062 ( 5.160 0.000 0.070) 5.161 10.970 ( -2.207 0.000 8.315) 8.603 11.095 ( -3.497 0.000 6.458) 7.344 11.448 ( 4.544 0.000 -5.073) 6.811 11.485 ( 10.848 0.000 -0.876) 10.883 11.517 ( 5.210 0.000 -8.798) 10.225 11.591 ( 10.572 0.000 2.194) 10.797 11.687 ( -5.235 0.000 -5.920) 7.902 12.000 ( 10.185 0.000 -1.646) 10.317 12.178 ( 3.242 0.000 13.524) 13.907 12.498 ( 3.996 0.000 -2.068) 4.499 14.009 ( -11.211 0.000 7.389) 13.427 14.112 ( -11.066 0.000 0.658) 11.085 14.261 ( -11.136 0.000 -4.502) 12.011 14.676 ( 6.635 0.000 3.932) 7.712 21.918 ( -3.688 0.000 -1.785) 4.097 22.122 ( 5.370 0.000 -0.847) 5.436 22.473 ( -1.133 0.000 5.692) 5.804 22.673 ( 3.723 0.000 2.594) 4.537 22.772 ( -1.642 0.000 -3.660) 4.011 22.843 ( 2.590 0.000 -1.442) 2.964 23.049 ( -1.842 0.000 15.194) 15.305 23.474 ( 4.768 0.000 -6.921) 8.404 23.613 ( 1.832 0.000 6.334) 6.594 23.687 ( -3.362 0.000 -4.623) 5.716 23.917 ( -2.423 0.000 -2.491) 3.475 23.954 ( 0.405 0.000 1.135) 1.205 24.311 ( 0.763 0.000 -0.597) 0.969 24.318 ( -0.139 0.000 -1.049) 1.058 25.039 ( -7.083 0.000 10.085) 12.323 25.615 ( 3.059 0.000 -15.991) 16.281 ======================= Grid point 133 (64/128) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -22.141 0.000 15.305) 26.916 1.300 ( -25.806 0.000 20.574) 33.004 1.905 ( -36.284 0.000 17.663) 40.355 2.531 ( -15.467 0.000 -12.356) 19.796 2.534 ( 4.738 0.000 -9.856) 10.936 2.591 ( -9.128 0.000 -2.048) 9.355 2.721 ( -9.157 0.000 -4.562) 10.230 2.828 ( 2.520 0.000 6.558) 7.025 2.994 ( -15.204 0.000 -3.611) 15.627 3.196 ( -1.726 0.000 -3.169) 3.609 3.307 ( 6.696 0.000 11.295) 13.130 3.628 ( -2.804 0.000 4.776) 5.538 3.706 ( 6.035 0.000 -1.981) 6.352 3.730 ( -13.479 0.000 -8.229) 15.793 3.878 ( -5.328 0.000 -1.899) 5.656 3.992 ( 0.571 0.000 2.667) 2.728 4.364 ( 0.575 0.000 -0.975) 1.132 4.388 ( 1.178 0.000 5.459) 5.585 4.653 ( -9.020 0.000 1.683) 9.176 4.664 ( -5.707 0.000 -3.419) 6.653 4.933 ( -9.160 0.000 7.861) 12.071 5.089 ( 4.822 0.000 1.396) 5.020 5.196 ( -0.412 0.000 -4.394) 4.414 5.214 ( -3.127 0.000 7.955) 8.547 5.613 ( -2.676 0.000 10.460) 10.797 5.790 ( 3.909 0.000 -3.083) 4.978 5.931 ( 2.622 0.000 -2.255) 3.459 6.246 ( 0.437 0.000 3.805) 3.830 6.263 ( -0.505 0.000 -3.850) 3.883 6.369 ( -0.795 0.000 -3.751) 3.834 6.619 ( 2.483 0.000 -0.666) 2.571 6.707 ( 5.046 0.000 -9.048) 10.360 6.993 ( -0.262 0.000 0.147) 0.300 7.229 ( -0.204 0.000 -10.259) 10.261 7.452 ( -0.441 0.000 7.274) 7.287 7.472 ( 7.676 0.000 -8.626) 11.547 8.480 ( 1.246 0.000 8.737) 8.825 8.915 ( 10.082 0.000 -7.688) 12.678 9.018 ( -4.897 0.000 1.641) 5.165 9.424 ( 0.076 0.000 0.309) 0.318 9.814 ( -4.886 0.000 -1.483) 5.106 10.177 ( 5.602 0.000 2.927) 6.320 11.077 ( 1.193 0.000 7.446) 7.541 11.115 ( 1.565 0.000 1.458) 2.139 11.418 ( 3.684 0.000 -9.501) 10.190 11.471 ( 0.770 0.000 -4.176) 4.246 11.594 ( 0.853 0.000 0.210) 0.878 11.607 ( 6.447 0.000 0.122) 6.448 11.872 ( 15.788 0.000 1.381) 15.848 12.168 ( 11.128 0.000 -0.418) 11.135 12.413 ( 8.938 0.000 7.826) 11.880 12.550 ( 5.691 0.000 -1.869) 5.990 13.857 ( -18.527 0.000 7.865) 20.127 13.912 ( -12.349 0.000 -0.854) 12.379 13.997 ( -12.980 0.000 -4.851) 13.857 14.718 ( -1.048 0.000 -10.125) 10.179 21.847 ( -2.270 0.000 -1.678) 2.823 22.166 ( 1.706 0.000 -2.873) 3.341 22.536 ( -1.759 0.000 6.733) 6.959 22.690 ( 0.802 0.000 -4.559) 4.629 22.738 ( 2.543 0.000 -0.995) 2.731 22.889 ( 2.227 0.000 2.507) 3.353 23.368 ( 12.501 0.000 22.470) 25.713 23.489 ( 7.838 0.000 -7.648) 10.951 23.573 ( -1.937 0.000 -5.297) 5.640 23.686 ( -0.865 0.000 3.791) 3.888 23.866 ( -1.493 0.000 0.030) 1.494 23.996 ( 1.466 0.000 4.576) 4.805 24.314 ( 0.934 0.000 -1.284) 1.587 24.317 ( 0.375 0.000 0.930) 1.002 25.031 ( -9.259 0.000 10.875) 14.282 25.357 ( -8.008 0.000 -23.452) 24.782 ======================= Grid point 134 (65/128) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -32.512 0.000 12.556) 34.852 0.985 ( -15.480 0.000 23.651) 28.266 1.868 ( -19.112 0.000 43.681) 47.679 1.947 ( -24.999 0.000 -16.521) 29.965 2.280 ( -9.405 0.000 -8.769) 12.859 2.510 ( 0.014 0.000 -4.801) 4.801 2.586 ( 0.320 0.000 -7.496) 7.503 2.857 ( -3.950 0.000 2.098) 4.473 2.932 ( -4.623 0.000 8.898) 10.027 3.211 ( 3.912 0.000 -0.523) 3.947 3.356 ( -10.402 0.000 -4.043) 11.160 3.533 ( 4.993 0.000 2.287) 5.492 3.784 ( 6.101 0.000 8.484) 10.450 3.813 ( 6.601 0.000 -1.494) 6.767 3.855 ( 0.858 0.000 5.692) 5.757 4.053 ( 7.304 0.000 -2.646) 7.768 4.447 ( 7.956 0.000 2.770) 8.424 4.471 ( 0.657 0.000 5.973) 6.009 4.548 ( -3.891 0.000 4.429) 5.895 4.639 ( -2.768 0.000 8.433) 8.876 4.857 ( -9.969 0.000 5.513) 11.392 5.074 ( -3.553 0.000 -4.399) 5.655 5.221 ( 5.675 0.000 0.028) 5.675 5.285 ( 0.817 0.000 6.233) 6.287 5.675 ( -4.213 0.000 8.817) 9.772 5.806 ( 3.277 0.000 -4.640) 5.680 5.879 ( -1.798 0.000 -4.887) 5.207 6.233 ( 2.892 0.000 -6.033) 6.691 6.277 ( -2.846 0.000 -3.032) 4.158 6.369 ( 4.090 0.000 4.365) 5.982 6.507 ( -8.372 0.000 -12.200) 14.796 6.674 ( -1.627 0.000 0.849) 1.835 6.988 ( 0.633 0.000 -1.069) 1.243 7.036 ( -4.939 0.000 -6.856) 8.450 7.471 ( -6.365 0.000 3.961) 7.497 7.495 ( 6.442 0.000 -7.523) 9.905 8.589 ( 0.222 0.000 7.658) 7.661 8.958 ( -4.892 0.000 1.648) 5.162 8.986 ( 9.206 0.000 -8.716) 12.678 9.408 ( -0.736 0.000 -1.642) 1.800 9.740 ( -2.507 0.000 -0.248) 2.520 10.239 ( -0.596 0.000 -1.842) 1.936 11.020 ( -6.205 0.000 -2.448) 6.670 11.164 ( 4.245 0.000 -4.377) 6.097 11.351 ( 1.682 0.000 -8.801) 8.961 11.589 ( 2.909 0.000 0.922) 3.051 11.711 ( 6.007 0.000 -0.389) 6.020 11.878 ( 28.803 0.000 17.102) 33.498 12.056 ( 10.269 0.000 -8.055) 13.051 12.326 ( 5.847 0.000 1.208) 5.970 12.638 ( 10.312 0.000 2.238) 10.552 12.651 ( 5.535 0.000 2.290) 5.990 13.588 ( -25.450 0.000 8.276) 26.762 13.717 ( -8.239 0.000 -1.430) 8.362 13.763 ( -7.223 0.000 -3.709) 8.120 14.309 ( -24.747 0.000 -17.347) 30.222 21.807 ( -0.408 0.000 -1.082) 1.157 22.102 ( -2.413 0.000 -5.633) 6.128 22.528 ( -3.836 0.000 2.392) 4.521 22.736 ( 0.300 0.000 -2.623) 2.640 22.757 ( 5.227 0.000 3.848) 6.491 22.958 ( 1.207 0.000 3.358) 3.568 23.511 ( 1.505 0.000 -2.875) 3.245 23.546 ( 9.301 0.000 -6.910) 11.587 23.675 ( -2.892 0.000 0.606) 2.955 23.768 ( 8.148 0.000 0.478) 8.162 23.879 ( 0.386 0.000 3.494) 3.515 24.170 ( 5.803 0.000 4.223) 7.177 24.309 ( 1.122 0.000 -2.456) 2.700 24.370 ( -2.938 0.000 1.299) 3.212 24.881 ( -5.469 0.000 -6.709) 8.656 24.992 ( -11.231 0.000 10.466) 15.352 ======================= Grid point 135 (66/128) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 7.281 10.487 9.382) 15.844 1.383 ( -7.938 22.961 14.394) 28.238 1.496 ( -6.555 5.574 -10.854) 13.851 2.183 ( -3.989 9.722 14.477) 17.889 2.379 ( 0.051 10.027 15.329) 18.317 2.521 ( 4.311 1.794 2.842) 5.466 2.677 ( 5.047 8.186 -3.230) 10.145 2.802 ( 0.574 -3.144 3.434) 4.691 2.840 ( -4.586 -1.553 -1.224) 4.994 3.142 ( 4.422 -6.832 0.810) 8.178 3.420 ( 0.784 5.483 2.850) 6.229 3.615 ( 4.265 1.898 -3.870) 6.064 3.766 ( 4.514 -7.732 3.952) 9.787 3.866 ( -1.012 -8.214 4.160) 9.263 3.978 ( 8.223 -2.317 0.342) 8.550 4.119 ( 2.443 -1.975 1.287) 3.395 4.484 ( -2.522 -8.123 9.100) 12.456 4.557 ( -2.068 -2.883 6.805) 7.674 4.635 ( 4.133 0.638 7.970) 9.000 4.725 ( -0.468 4.386 0.299) 4.421 4.809 ( -2.018 5.047 1.889) 5.755 5.110 ( -2.179 2.689 5.322) 6.348 5.224 ( 0.245 -6.325 2.753) 6.902 5.329 ( -2.324 -0.447 -1.637) 2.878 5.710 ( -4.426 0.835 1.836) 4.864 5.743 ( -2.144 1.341 -1.826) 3.119 5.857 ( -0.350 5.993 -3.799) 7.104 6.035 ( -8.753 0.520 -9.167) 12.685 6.217 ( -3.756 1.884 -4.416) 6.095 6.330 ( 13.224 -3.026 -10.790) 17.334 6.478 ( 3.357 -2.393 4.089) 5.807 6.608 ( -1.190 -3.870 -0.084) 4.050 6.922 ( -0.961 -1.379 -1.870) 2.515 7.020 ( 1.732 2.035 -0.064) 2.672 7.331 ( -8.123 -1.829 -0.332) 8.333 7.543 ( 10.984 -1.504 -5.518) 12.384 8.655 ( -0.124 -3.142 8.621) 9.176 8.888 ( -1.941 -2.830 0.132) 3.435 9.018 ( 3.626 4.994 -7.735) 9.895 9.398 ( 0.905 2.063 -4.434) 4.973 9.871 ( 1.734 11.463 -2.491) 11.858 10.215 ( -3.827 7.240 -6.987) 10.765 10.906 ( -4.446 -3.810 4.821) 7.585 11.185 ( 3.176 0.900 -5.121) 6.093 11.261 ( -0.254 -0.409 -6.629) 6.647 11.536 ( -2.754 -6.629 1.171) 7.273 11.737 ( 3.476 -3.391 -2.798) 5.605 11.984 ( 5.262 -4.586 -9.469) 11.763 12.367 ( -6.561 2.231 3.115) 7.598 12.462 ( 5.503 1.927 0.182) 5.834 12.707 ( -1.355 -0.362 4.044) 4.280 12.845 ( 17.690 -1.037 1.276) 17.767 13.259 ( -22.367 -0.809 9.515) 24.320 13.600 ( -3.167 -8.949 1.216) 9.571 13.675 ( 0.521 0.471 1.203) 1.393 13.790 ( -3.942 -0.490 -2.625) 4.761 21.942 ( 2.498 9.946 -5.098) 11.452 22.027 ( -2.958 4.810 -5.621) 7.968 22.472 ( -2.604 -3.236 2.441) 4.818 22.668 ( -0.166 -1.474 -2.854) 3.217 22.928 ( 0.567 2.701 2.700) 3.861 23.038 ( 0.022 3.286 0.815) 3.386 23.493 ( -6.801 -5.298 1.415) 8.737 23.495 ( 1.859 -4.297 -1.086) 4.806 23.661 ( -0.704 2.828 0.695) 2.996 23.727 ( -4.888 2.297 -2.375) 5.900 23.911 ( 1.811 -0.170 1.375) 2.280 24.126 ( -6.562 6.567 -0.116) 9.285 24.251 ( 3.625 -1.342 -2.338) 4.517 24.360 ( -0.164 4.215 -0.406) 4.238 24.847 ( -7.343 -5.617 9.486) 13.246 25.195 ( 20.049 -4.517 -0.701) 20.564 ======================= Grid point 136 (67/128) ======================= q-point: ( 0.11 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 13.315 11.787 -3.341) 18.094 1.418 ( 31.561 7.490 2.774) 32.556 1.632 ( 5.156 15.627 14.533) 21.954 2.309 ( 4.792 6.145 0.523) 7.810 2.470 ( -4.894 4.590 10.350) 12.334 2.654 ( 6.373 2.583 4.502) 8.219 2.728 ( 0.981 2.617 -7.497) 8.001 2.816 ( -1.460 5.377 8.694) 10.326 2.913 ( 13.342 3.972 -5.831) 15.093 3.258 ( 8.284 -2.089 0.996) 8.601 3.503 ( 4.660 -1.334 3.381) 5.910 3.662 ( 4.173 2.260 -1.567) 4.997 3.844 ( -3.615 -7.104 4.011) 8.923 3.890 ( 0.861 -2.926 4.522) 5.454 4.073 ( 6.420 -6.953 -3.406) 10.058 4.164 ( 3.795 -6.650 -5.042) 9.167 4.421 ( -7.681 -2.692 -0.362) 8.147 4.628 ( -2.450 -5.682 6.471) 8.953 4.722 ( 0.106 -2.133 5.886) 6.261 4.781 ( -5.514 1.530 3.754) 6.844 4.864 ( 9.237 4.363 4.361) 11.107 5.195 ( 1.383 6.066 1.987) 6.531 5.218 ( -7.537 -3.350 5.817) 10.093 5.305 ( 1.449 -8.140 9.621) 12.685 5.622 ( -2.576 -2.509 -3.095) 4.745 5.703 ( -4.450 6.463 0.278) 7.852 5.800 ( 1.999 6.040 -4.497) 7.791 5.846 ( 0.138 4.582 -9.039) 10.135 6.158 ( 0.377 2.397 -1.707) 2.967 6.382 ( 8.976 -0.717 -11.450) 14.566 6.523 ( -2.411 -4.524 -0.327) 5.137 6.626 ( 3.142 -0.644 -1.244) 3.440 6.892 ( -1.790 -3.208 2.806) 4.622 7.066 ( 3.916 4.022 0.276) 5.620 7.202 ( -4.762 -1.043 -1.617) 5.136 7.691 ( 14.294 -1.677 -5.950) 15.573 8.759 ( 0.715 -3.109 6.474) 7.217 8.818 ( -7.435 2.253 2.571) 8.183 8.983 ( 3.679 1.658 -8.309) 9.237 9.368 ( 1.793 0.781 -4.433) 4.845 9.917 ( 4.009 8.908 2.156) 10.004 10.091 ( 0.418 5.841 -8.158) 10.042 10.926 ( -5.885 -3.963 10.991) 13.082 11.139 ( -0.550 -1.863 -5.207) 5.557 11.182 ( -0.718 1.182 -5.704) 5.869 11.482 ( -4.840 -7.653 0.664) 9.079 11.691 ( -4.087 -0.242 -4.178) 5.849 11.907 ( 0.776 -2.394 -9.353) 9.685 12.234 ( -11.670 1.321 2.467) 12.001 12.307 ( -17.733 0.250 3.071) 17.999 12.629 ( -10.647 2.110 1.859) 11.012 12.915 ( -17.757 -1.059 1.002) 17.817 13.299 ( 17.500 -2.822 4.710) 18.341 13.626 ( 6.937 -7.329 1.464) 10.197 13.808 ( 10.600 1.725 2.816) 11.102 13.935 ( 16.625 -0.459 -1.100) 16.668 21.938 ( -0.370 5.163 -3.327) 6.153 21.946 ( 2.778 5.988 -2.534) 7.071 22.463 ( -2.641 -3.352 3.107) 5.278 22.618 ( -1.781 -1.520 -2.276) 3.265 22.950 ( -1.592 -0.963 0.998) 2.111 23.024 ( -3.522 -0.342 2.034) 4.081 23.292 ( -13.484 3.174 2.564) 14.087 23.471 ( -4.383 -0.077 -0.383) 4.400 23.686 ( 2.695 3.128 0.140) 4.131 23.697 ( -0.040 2.017 -0.174) 2.025 23.937 ( 0.008 -0.180 1.049) 1.065 24.131 ( 0.523 4.220 4.094) 5.903 24.288 ( 7.155 -2.718 -4.566) 8.913 24.402 ( 4.377 4.158 0.671) 6.074 24.751 ( -11.931 -2.718 4.973) 13.208 25.488 ( 17.602 -7.046 -5.334) 19.696 ======================= Grid point 137 (68/128) ======================= q-point: ( 0.22 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 19.648 12.192 7.189) 24.215 1.916 ( 13.972 9.221 9.348) 19.174 2.036 ( 28.821 4.140 4.936) 29.532 2.305 ( 3.660 6.866 -9.168) 12.025 2.496 ( -3.395 -1.548 0.179) 3.735 2.586 ( -0.753 12.697 -10.103) 16.244 2.842 ( 1.098 -3.967 5.080) 6.538 2.864 ( 6.731 1.691 2.294) 7.310 3.114 ( 8.569 8.267 6.253) 13.449 3.403 ( 7.970 3.296 0.412) 8.634 3.570 ( 0.284 -1.646 -4.816) 5.098 3.689 ( 4.460 3.745 -6.845) 8.988 3.773 ( -1.941 -4.870 2.101) 5.648 3.959 ( -0.789 -4.195 -2.930) 5.177 4.119 ( 6.589 -7.452 1.710) 10.093 4.136 ( -1.956 -9.957 -4.501) 11.101 4.365 ( 5.430 0.667 -4.890) 7.337 4.619 ( -3.820 -4.987 1.367) 6.429 4.721 ( -3.384 -0.988 2.024) 4.065 4.793 ( -0.517 -1.004 3.618) 3.791 4.936 ( -2.342 -2.656 -1.641) 3.903 5.222 ( 5.642 3.010 1.774) 6.636 5.348 ( 2.869 -0.202 11.752) 12.099 5.423 ( 0.558 1.243 4.832) 5.021 5.572 ( -4.248 2.370 4.253) 6.461 5.669 ( 0.859 2.802 0.463) 2.967 5.772 ( 5.959 -0.404 -7.595) 9.662 5.849 ( 1.378 6.017 2.518) 6.667 6.167 ( 1.105 2.571 -0.097) 2.801 6.333 ( -0.270 0.214 -8.286) 8.293 6.486 ( -0.444 -2.728 -0.084) 2.766 6.557 ( -3.679 1.529 -5.704) 6.958 7.004 ( 5.514 -5.095 7.641) 10.712 7.101 ( 0.148 -2.049 -5.449) 5.823 7.165 ( 3.011 4.329 1.218) 5.412 7.842 ( 11.797 -1.675 -5.715) 13.215 8.669 ( -6.586 4.332 -4.461) 9.057 8.875 ( -3.153 -3.812 12.352) 13.306 8.942 ( 3.427 0.150 -7.600) 8.338 9.340 ( 1.521 -0.965 -5.161) 5.466 10.001 ( 2.955 4.988 -3.456) 6.749 10.074 ( 5.355 8.087 1.753) 9.856 10.934 ( -9.104 -2.903 9.604) 13.548 11.087 ( -2.151 -1.250 0.274) 2.503 11.092 ( -2.999 -1.790 -1.660) 3.867 11.389 ( -3.108 -4.487 -5.732) 7.915 11.556 ( -9.542 1.836 3.954) 10.491 11.799 ( -0.781 -1.697 -8.387) 8.593 12.063 ( -15.069 0.019 3.572) 15.486 12.072 ( -7.852 -0.436 -3.261) 8.513 12.485 ( -9.128 0.522 3.253) 9.704 12.613 ( -18.892 -1.160 1.165) 18.964 13.608 ( 14.162 -3.827 2.518) 14.884 13.806 ( 11.939 -4.733 0.391) 12.849 14.034 ( 10.169 3.037 4.582) 11.559 14.205 ( 15.664 -0.425 -0.186) 15.671 21.909 ( 1.881 3.302 -2.837) 4.742 21.994 ( 3.350 5.505 1.082) 6.535 22.455 ( -3.358 -3.524 3.481) 5.985 22.563 ( -2.518 -0.825 -0.791) 2.765 22.884 ( -6.797 -4.066 0.986) 7.982 22.978 ( -6.566 -1.648 4.781) 8.287 23.193 ( -0.600 7.987 -1.301) 8.114 23.370 ( -6.124 1.911 -0.495) 6.435 23.673 ( -2.560 -0.088 -0.132) 2.565 23.736 ( 2.439 4.054 0.447) 4.753 23.949 ( -0.013 0.031 1.140) 1.140 24.165 ( -1.048 2.435 2.240) 3.471 24.375 ( 8.159 -2.853 -4.440) 9.717 24.466 ( -1.588 1.547 0.364) 2.247 24.657 ( -1.169 -0.764 3.704) 3.959 25.649 ( 11.506 -5.407 -7.024) 14.524 ======================= Grid point 138 (69/128) ======================= q-point: ( 0.33 0.14 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 11.962 7.974 9.243) 17.091 2.176 ( -2.602 11.005 -2.153) 11.512 2.237 ( 4.401 4.697 2.465) 6.893 2.323 ( 2.356 4.380 -3.568) 6.121 2.490 ( 10.012 12.407 -12.526) 20.275 2.573 ( 14.884 -0.342 -0.125) 14.888 2.883 ( -0.439 -5.934 4.332) 7.360 3.011 ( 3.482 4.192 4.103) 6.821 3.283 ( -0.627 3.056 7.687) 8.296 3.397 ( -1.730 -1.052 -10.022) 10.225 3.570 ( 9.366 9.574 -0.628) 13.408 3.669 ( 1.113 -0.824 -4.529) 4.736 3.801 ( 4.846 -2.469 -3.498) 6.466 3.944 ( -1.648 -4.550 1.848) 5.181 4.042 ( -0.200 -5.152 -0.089) 5.156 4.272 ( 10.543 -6.417 -3.147) 12.737 4.392 ( 9.115 -3.888 -11.148) 14.916 4.583 ( -0.696 -7.829 -0.713) 7.893 4.724 ( 0.628 2.938 0.250) 3.015 4.772 ( -2.483 0.353 -0.133) 2.512 4.906 ( -2.746 -2.723 3.001) 4.895 5.275 ( 2.546 2.532 -4.555) 5.800 5.423 ( -0.406 -0.907 1.767) 2.028 5.548 ( -2.159 10.683 -2.630) 11.212 5.563 ( -0.940 -0.295 8.468) 8.525 5.709 ( 3.814 3.757 2.611) 5.956 5.837 ( 2.320 -4.217 3.844) 6.159 5.883 ( -1.593 2.408 2.320) 3.704 6.174 ( 0.311 3.687 -0.179) 3.705 6.236 ( 0.429 2.132 -3.013) 3.716 6.454 ( -1.744 0.594 -2.534) 3.133 6.513 ( 0.999 -2.430 3.370) 4.273 7.003 ( -3.109 -2.338 -5.808) 6.991 7.175 ( 5.380 -3.975 2.962) 7.315 7.231 ( 3.604 2.404 -0.503) 4.361 7.921 ( 6.940 -1.289 -7.482) 10.286 8.493 ( -8.092 3.050 -4.101) 9.571 8.909 ( 1.933 -3.384 -3.857) 5.483 8.973 ( -0.949 -1.386 8.112) 8.284 9.292 ( 1.000 -1.954 -5.520) 5.940 10.000 ( 3.827 5.388 -4.329) 7.901 10.190 ( 1.743 8.164 3.978) 9.247 10.888 ( -7.830 -2.218 7.958) 11.382 11.034 ( -0.467 1.658 0.106) 1.726 11.105 ( -4.768 -3.047 8.908) 10.553 11.266 ( -3.392 -1.027 -3.603) 5.054 11.500 ( -4.811 -0.825 5.774) 7.560 11.689 ( 1.426 -0.774 -10.240) 10.368 11.893 ( -8.168 -1.654 0.063) 8.334 11.928 ( -4.430 -0.632 -2.803) 5.281 12.333 ( -15.359 -0.888 -0.110) 15.385 12.419 ( -4.668 -1.101 3.898) 6.181 13.830 ( 8.670 -4.150 2.954) 10.055 14.009 ( 10.550 -3.610 2.352) 11.396 14.226 ( 5.248 3.798 5.282) 8.359 14.417 ( 9.628 -0.077 0.082) 9.629 21.929 ( 3.660 3.408 -1.599) 5.251 22.067 ( 2.362 4.559 2.356) 5.649 22.435 ( -4.107 -3.625 3.665) 6.591 22.522 ( -2.364 0.424 0.944) 2.581 22.798 ( -6.553 -2.652 3.778) 8.015 22.925 ( -4.402 -1.878 1.331) 4.967 23.184 ( 1.477 7.235 -2.682) 7.856 23.294 ( -3.278 1.805 1.893) 4.194 23.612 ( -3.119 -1.416 -1.931) 3.932 23.779 ( 1.680 4.431 1.255) 4.902 23.962 ( 0.018 0.430 0.863) 0.964 24.154 ( -1.720 0.892 -0.765) 2.083 24.369 ( -4.859 -0.941 -1.970) 5.326 24.419 ( 4.473 -1.010 -5.686) 7.305 24.788 ( 4.923 -0.261 6.984) 8.549 25.712 ( 7.609 -4.110 -8.272) 11.967 ======================= Grid point 139 (70/128) ======================= q-point: (-0.56 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -12.255 2.358 -5.610) 13.683 2.087 ( -10.995 13.855 0.260) 17.689 2.291 ( 5.193 12.754 6.034) 15.035 2.383 ( 5.661 7.313 -8.499) 12.560 2.661 ( 18.119 5.459 -3.842) 19.310 2.725 ( -0.793 -1.239 6.631) 6.793 2.939 ( -0.827 1.046 5.648) 5.803 3.069 ( -0.539 -1.723 -1.195) 2.165 3.237 ( 1.452 -4.681 -5.821) 7.610 3.341 ( -0.260 2.598 -3.509) 4.373 3.652 ( 1.069 5.346 -1.357) 5.618 3.698 ( 7.334 3.255 -2.585) 8.430 3.873 ( 3.391 -0.746 2.209) 4.116 3.905 ( -1.889 -5.031 3.179) 6.244 4.137 ( 2.938 -0.915 3.260) 4.483 4.325 ( 2.384 -3.096 -7.504) 8.460 4.435 ( 9.334 -3.982 -8.563) 13.278 4.553 ( -1.110 -8.910 -2.644) 9.360 4.710 ( 2.399 0.506 -3.035) 3.901 4.769 ( -1.798 0.330 2.087) 2.774 4.884 ( -3.763 -0.196 2.803) 4.696 5.218 ( -0.766 0.354 -6.109) 6.167 5.390 ( -7.044 -1.878 -2.966) 7.871 5.434 ( -6.061 3.452 2.907) 7.557 5.534 ( -6.458 3.295 0.629) 7.277 5.773 ( -3.239 10.644 4.401) 11.965 5.840 ( -6.736 -2.536 5.133) 8.840 5.999 ( 15.093 -2.132 -0.300) 15.246 6.201 ( 2.235 2.692 1.672) 3.878 6.315 ( 7.502 1.261 0.853) 7.654 6.434 ( 2.311 2.067 -2.072) 3.730 6.582 ( 1.159 -4.069 2.946) 5.155 6.877 ( -4.589 -0.811 -2.324) 5.207 7.208 ( 0.812 4.037 -3.956) 5.710 7.283 ( 2.177 -4.952 -0.181) 5.412 7.885 ( 2.853 -0.602 -11.538) 11.901 8.328 ( -6.883 0.562 -1.359) 7.038 8.891 ( 2.914 -5.457 -6.334) 8.854 9.048 ( -1.192 -0.398 6.868) 6.982 9.267 ( 2.717 -1.156 -2.539) 3.894 10.024 ( 3.572 6.106 -2.113) 7.382 10.208 ( -1.701 9.669 -0.225) 9.820 10.888 ( -4.738 -1.170 9.145) 10.366 11.079 ( 2.859 0.562 2.874) 4.092 11.106 ( -8.254 0.876 9.026) 12.262 11.253 ( 2.344 -3.567 3.630) 5.603 11.516 ( 1.950 -1.384 -0.231) 2.403 11.602 ( 4.530 -0.020 -12.306) 13.113 11.803 ( -2.663 -3.503 0.683) 4.453 11.864 ( -1.314 -1.435 -0.950) 2.165 12.111 ( -11.329 0.538 1.143) 11.399 12.416 ( -0.854 -1.739 2.529) 3.186 13.963 ( 2.331 -3.749 4.203) 6.095 14.204 ( 7.681 -4.728 3.791) 9.784 14.326 ( -0.491 3.973 5.311) 6.650 14.513 ( 1.966 0.516 -0.214) 2.044 21.986 ( 4.386 3.435 -0.452) 5.589 22.109 ( -0.085 5.227 1.085) 5.339 22.421 ( -3.269 -2.824 4.439) 6.194 22.517 ( -0.443 1.001 2.605) 2.826 22.755 ( -3.881 -1.256 2.927) 5.021 22.880 ( -3.007 -1.137 2.411) 4.019 23.160 ( 0.304 7.977 -4.284) 9.059 23.319 ( 0.652 -1.503 5.442) 5.683 23.535 ( -1.278 -2.668 -4.276) 5.199 23.819 ( 0.884 4.891 1.424) 5.170 23.965 ( -0.236 0.701 -0.583) 0.942 24.087 ( -2.551 -0.179 -3.466) 4.307 24.306 ( -1.021 -0.664 -0.650) 1.381 24.394 ( 1.369 -0.566 -5.818) 6.004 24.930 ( 0.672 -0.694 8.287) 8.343 25.709 ( 5.249 -3.927 -9.652) 11.668 ======================= Grid point 140 (71/128) ======================= q-point: (-0.44 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -18.159 5.199 2.380) 19.038 1.864 ( -17.032 18.259 1.690) 25.027 2.387 ( 10.464 7.039 -9.038) 15.515 2.437 ( -0.386 8.208 9.538) 12.589 2.738 ( -7.457 0.166 5.546) 9.295 2.816 ( 9.701 4.219 -12.165) 16.121 2.963 ( -2.979 -3.246 0.735) 4.467 3.011 ( -4.490 2.113 6.601) 8.259 3.207 ( 1.376 -5.429 -7.953) 9.727 3.301 ( 5.808 2.092 -8.489) 10.497 3.608 ( -7.644 8.641 1.314) 11.612 3.757 ( 3.427 2.864 -1.387) 4.676 3.894 ( -9.516 -1.049 3.454) 10.178 3.964 ( 0.469 -3.544 5.513) 6.570 4.042 ( -11.464 -3.688 -5.416) 13.205 4.259 ( 0.959 4.945 -4.468) 6.733 4.412 ( -0.480 -6.985 -6.780) 9.746 4.500 ( -1.002 -2.234 -4.697) 5.297 4.720 ( -5.380 -7.404 2.786) 9.567 4.750 ( 0.804 0.577 1.589) 1.872 4.878 ( 0.073 -1.127 0.588) 1.273 5.112 ( -4.813 1.595 -4.241) 6.610 5.223 ( -8.989 -3.802 1.338) 9.851 5.403 ( -4.058 -1.345 6.822) 8.051 5.484 ( -2.280 4.068 5.054) 6.877 5.781 ( -3.169 11.975 2.150) 12.573 5.784 ( 0.645 1.222 0.027) 1.382 6.233 ( 2.861 -3.495 3.269) 5.576 6.293 ( 7.889 -2.870 2.993) 8.912 6.406 ( 5.360 -2.515 -1.992) 6.247 6.479 ( 8.563 2.029 -7.590) 11.621 6.558 ( 1.138 -1.094 -6.986) 7.162 6.875 ( 0.326 0.652 7.574) 7.609 7.148 ( -2.172 3.367 -2.813) 4.896 7.305 ( 2.260 -2.883 -0.636) 3.718 7.752 ( 1.103 -0.362 -15.090) 15.134 8.260 ( -2.441 -1.183 3.324) 4.290 8.848 ( 3.492 -6.430 -9.071) 11.654 9.091 ( -1.511 0.597 3.944) 4.266 9.325 ( 4.475 0.147 1.107) 4.612 10.068 ( 3.157 7.759 0.501) 8.391 10.152 ( -1.939 10.791 -3.428) 11.487 10.936 ( -2.582 0.737 7.938) 8.380 11.065 ( -8.186 -1.098 9.689) 12.731 11.231 ( 9.765 -1.644 2.991) 10.344 11.364 ( 3.144 -2.337 5.081) 6.416 11.532 ( 5.850 -0.568 -8.802) 10.584 11.549 ( 6.547 0.306 -10.432) 12.320 11.784 ( -4.899 -4.133 -1.417) 6.564 11.854 ( 5.926 -2.975 -1.151) 6.730 12.042 ( -3.895 2.176 9.494) 10.490 12.443 ( 1.992 -1.772 0.157) 2.671 14.007 ( -4.314 -3.483 5.656) 7.920 14.262 ( -4.123 -0.996 0.043) 4.242 14.388 ( -2.366 -2.347 4.487) 5.589 14.506 ( -0.567 0.796 2.480) 2.666 22.039 ( 0.489 4.072 0.634) 4.150 22.117 ( 3.294 6.785 -1.496) 7.689 22.432 ( -2.022 -0.588 4.571) 5.033 22.571 ( 2.377 -0.837 3.122) 4.012 22.740 ( -1.781 0.196 2.732) 3.267 22.902 ( -1.099 -0.021 7.112) 7.196 23.087 ( -1.611 7.899 -5.793) 9.927 23.409 ( 1.801 -4.776 2.690) 5.769 23.492 ( 2.277 -2.352 -1.767) 3.720 23.816 ( -1.748 4.075 -2.703) 5.193 23.942 ( -0.130 -0.425 -1.053) 1.143 24.016 ( -1.806 1.549 -2.088) 3.166 24.296 ( 0.031 -0.850 -0.387) 0.935 24.346 ( 0.371 -0.306 -3.687) 3.719 25.008 ( -3.757 -0.497 9.138) 9.892 25.656 ( 3.619 -4.945 -11.338) 12.887 ======================= Grid point 141 (72/128) ======================= q-point: (-0.33 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -20.470 8.651 11.823) 25.172 1.605 ( -20.057 18.489 7.313) 28.242 2.465 ( 7.765 3.919 -5.757) 10.430 2.484 ( -13.498 3.623 1.846) 14.097 2.580 ( -10.032 7.672 7.152) 14.514 2.773 ( 1.796 -0.985 -5.588) 5.952 2.884 ( -7.052 0.669 -0.004) 7.084 3.053 ( 0.234 -5.310 -7.503) 9.195 3.088 ( 1.260 7.639 -3.657) 8.562 3.243 ( -8.799 4.687 -0.936) 10.013 3.451 ( -14.793 -3.255 -4.625) 15.838 3.595 ( -11.564 -0.266 0.351) 11.573 3.752 ( -1.435 5.073 -1.942) 5.619 3.902 ( -4.893 -3.273 3.437) 6.816 4.015 ( -4.394 -1.442 1.439) 4.843 4.164 ( -4.535 4.645 -8.304) 10.541 4.318 ( -3.263 -1.190 0.854) 3.577 4.406 ( -1.498 -0.887 -2.675) 3.191 4.669 ( -5.674 -7.894 1.050) 9.778 4.732 ( -6.957 -0.712 3.783) 7.951 4.900 ( 1.670 -4.685 1.297) 5.140 4.993 ( -3.602 -3.445 -0.864) 5.059 5.166 ( -4.505 -1.371 6.974) 8.415 5.415 ( -2.757 6.187 1.050) 6.854 5.569 ( -0.665 4.560 10.121) 11.121 5.773 ( 2.530 3.932 0.037) 4.675 5.845 ( 5.430 3.188 -1.163) 6.403 6.232 ( -2.592 -2.817 1.205) 4.013 6.337 ( -2.874 -0.746 -1.072) 3.157 6.413 ( -1.546 -2.584 -2.243) 3.755 6.509 ( 3.994 -2.720 -0.776) 4.894 6.639 ( 16.822 -4.142 -13.188) 21.773 6.987 ( 1.709 2.055 4.674) 5.384 7.105 ( -0.051 -2.727 0.935) 2.883 7.365 ( 3.388 -0.761 1.720) 3.875 7.579 ( 0.905 0.094 -14.929) 14.956 8.319 ( 1.173 -2.709 7.154) 7.739 8.807 ( 4.376 -6.810 -7.513) 11.044 9.097 ( -0.893 2.678 0.549) 2.876 9.409 ( 3.572 1.220 0.912) 3.883 10.070 ( -1.378 11.677 -5.319) 12.905 10.153 ( 4.670 10.428 3.446) 11.934 10.985 ( -2.538 1.588 7.707) 8.268 11.075 ( -3.015 -2.109 6.930) 7.846 11.431 ( 5.746 -3.240 -3.070) 7.276 11.442 ( 8.914 -2.333 -0.441) 9.225 11.505 ( 4.550 -1.085 -9.515) 10.602 11.610 ( 5.631 -0.478 -2.311) 6.105 11.661 ( 0.536 -0.691 -1.888) 2.080 11.995 ( 11.395 -0.759 -1.117) 11.475 12.173 ( 2.658 -0.171 12.182) 12.470 12.482 ( 4.032 -1.631 -1.909) 4.750 13.951 ( -11.135 -3.917 5.906) 13.199 14.130 ( -9.856 -1.036 -1.837) 10.079 14.261 ( -12.005 0.889 -0.906) 12.072 14.587 ( 0.051 -7.116 5.265) 8.852 22.023 ( -0.499 8.182 -1.430) 8.321 22.185 ( 5.791 6.006 -1.612) 8.497 22.460 ( -0.693 -0.105 3.554) 3.622 22.652 ( 4.058 -2.713 0.779) 4.943 22.772 ( -0.189 4.562 5.046) 6.805 22.981 ( -1.233 7.702 -6.142) 9.928 23.029 ( 1.408 -0.808 14.497) 14.587 23.417 ( 4.168 -5.400 -6.138) 9.177 23.570 ( 1.351 -2.935 5.245) 6.160 23.703 ( -3.292 0.306 -6.555) 7.341 23.938 ( -1.148 2.067 -0.489) 2.415 23.977 ( -0.258 2.026 0.054) 2.043 24.292 ( 0.055 -1.180 -0.320) 1.223 24.326 ( 0.719 0.130 -1.471) 1.643 25.034 ( -6.929 -0.315 9.943) 12.123 25.543 ( 0.556 -6.642 -14.213) 15.698 ======================= Grid point 142 (73/128) ======================= q-point: (-0.22 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -18.775 17.888 12.284) 28.695 1.371 ( -25.252 7.020 15.762) 30.584 2.128 ( -28.526 20.462 16.185) 38.657 2.484 ( -6.967 -2.560 -7.104) 10.274 2.522 ( -2.885 -2.645 -5.706) 6.920 2.585 ( -14.449 1.309 -6.573) 15.928 2.830 ( -2.595 0.523 3.169) 4.129 2.893 ( -8.422 12.943 -6.505) 16.756 2.963 ( -6.183 -2.515 2.084) 6.993 3.094 ( -6.244 -5.816 -5.731) 10.279 3.321 ( 4.642 0.529 10.927) 11.884 3.598 ( 3.851 -4.059 0.107) 5.597 3.688 ( -16.511 -2.315 -4.341) 17.228 3.731 ( 1.470 2.715 -2.202) 3.792 3.943 ( -5.020 3.075 -0.631) 5.920 4.074 ( -0.092 6.519 1.675) 6.731 4.325 ( -0.181 -2.036 3.325) 3.903 4.406 ( 3.093 0.606 -0.464) 3.186 4.545 ( -8.317 -4.147 1.819) 9.470 4.675 ( -5.891 1.163 5.537) 8.168 4.912 ( -2.974 -4.941 1.475) 5.952 5.020 ( 4.312 -5.531 2.396) 7.411 5.201 ( -3.736 -2.086 8.658) 9.658 5.342 ( -2.771 11.190 -3.303) 11.992 5.659 ( -2.465 4.312 8.944) 10.231 5.818 ( 2.176 2.830 -0.117) 3.572 5.892 ( 2.696 -2.019 -3.923) 5.171 6.241 ( -1.971 -0.362 0.629) 2.101 6.277 ( 2.290 0.132 0.558) 2.360 6.361 ( -0.310 -1.084 -4.657) 4.792 6.570 ( 2.053 -5.499 1.957) 6.187 6.653 ( 3.988 -5.647 -12.982) 14.709 7.003 ( -0.760 1.174 -0.514) 1.490 7.133 ( -1.226 -6.792 -2.634) 7.387 7.376 ( 3.198 -3.525 -6.459) 8.023 7.510 ( 0.856 0.593 0.639) 1.222 8.441 ( 1.588 -3.583 8.245) 9.129 8.824 ( 5.088 -7.600 -2.918) 9.601 9.080 ( 0.613 5.384 -2.886) 6.140 9.451 ( 1.769 2.124 -1.381) 3.090 9.984 ( -0.115 12.421 -6.721) 14.123 10.295 ( 5.812 12.256 3.353) 13.972 11.063 ( 0.306 -1.123 5.764) 5.880 11.117 ( 1.827 0.147 1.620) 2.446 11.411 ( 2.245 -1.076 -8.231) 8.599 11.437 ( 1.246 -2.918 -3.631) 4.822 11.556 ( 0.669 -3.377 -0.303) 3.456 11.594 ( 8.411 -1.748 0.025) 8.590 11.898 ( 15.610 2.564 1.585) 15.898 12.182 ( 12.137 1.161 -0.760) 12.216 12.393 ( 8.662 -1.816 7.795) 11.794 12.538 ( 5.690 -1.233 -1.354) 5.977 13.784 ( -16.670 -4.586 4.886) 17.967 13.909 ( -12.381 -3.561 -3.346) 13.311 14.023 ( -15.657 3.267 0.151) 15.995 14.537 ( -10.797 -13.516 -2.399) 17.465 22.001 ( 1.941 10.478 -4.482) 11.560 22.230 ( 2.676 6.881 -4.143) 8.467 22.488 ( -0.967 -3.154 2.929) 4.412 22.696 ( 1.862 1.454 -2.692) 3.582 22.826 ( 2.542 7.051 0.847) 7.543 22.945 ( 0.135 4.219 2.669) 4.994 23.345 ( 12.026 -2.530 14.604) 19.086 23.440 ( 8.474 -4.323 -2.276) 9.781 23.546 ( -2.344 -2.310 -4.816) 5.833 23.671 ( -0.324 -1.340 4.859) 5.051 23.893 ( -1.352 2.780 -2.167) 3.775 24.010 ( 1.376 1.258 3.904) 4.326 24.295 ( 0.439 -1.156 0.428) 1.309 24.323 ( 0.722 -0.093 -1.124) 1.339 25.011 ( -10.309 -1.600 8.001) 13.147 25.298 ( -8.169 -5.086 -15.978) 18.652 ======================= Grid point 143 (74/128) ======================= q-point: (-0.11 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -25.645 10.049 11.444) 29.826 1.300 ( -13.162 19.770 21.282) 31.891 1.966 ( -22.250 1.276 -15.509) 27.151 2.080 ( -19.209 20.989 34.712) 44.883 2.319 ( -6.716 3.922 -6.678) 10.251 2.477 ( 0.660 -0.863 -2.831) 3.032 2.729 ( -0.676 9.069 -8.670) 12.564 2.776 ( -4.562 -4.280 4.965) 7.986 2.954 ( -8.635 0.319 6.676) 10.919 3.073 ( 3.989 -8.299 -1.307) 9.300 3.420 ( -6.731 1.479 1.970) 7.168 3.566 ( 8.805 1.711 2.032) 9.197 3.658 ( 1.769 -7.595 -1.301) 7.906 3.773 ( 6.836 -2.641 3.034) 7.932 3.875 ( -2.860 1.717 2.312) 4.058 4.102 ( 0.230 3.808 0.425) 3.839 4.393 ( 2.091 -4.529 4.179) 6.508 4.477 ( 4.043 -0.676 2.597) 4.853 4.525 ( -2.692 0.745 9.142) 9.559 4.680 ( -2.538 4.181 7.289) 8.778 4.862 ( -3.380 -1.546 -0.696) 3.781 5.106 ( -0.566 -3.715 3.787) 5.335 5.208 ( -2.328 -0.725 1.868) 3.071 5.318 ( 2.647 6.460 -0.085) 6.982 5.707 ( -3.165 4.018 6.734) 8.456 5.821 ( -1.715 -2.264 -1.931) 3.434 5.873 ( 2.503 3.346 -3.659) 5.554 6.205 ( 0.183 -1.725 -2.651) 3.168 6.287 ( 1.194 -3.110 -6.899) 7.662 6.372 ( 3.414 1.851 0.752) 3.956 6.453 ( -9.062 -5.543 -9.452) 14.219 6.610 ( 0.030 -4.992 1.605) 5.244 6.980 ( -0.223 -0.196 -3.549) 3.562 7.021 ( -3.037 -1.338 -2.053) 3.902 7.391 ( 3.460 -4.937 -2.946) 6.710 7.509 ( -2.134 -0.372 0.479) 2.218 8.555 ( 0.425 -3.312 7.916) 8.591 8.878 ( 3.146 -7.319 -0.690) 7.996 9.051 ( 2.096 6.726 -5.441) 8.902 9.438 ( 0.634 2.499 -3.697) 4.507 9.909 ( 0.726 12.735 -6.323) 14.237 10.340 ( -1.934 10.126 -2.623) 10.638 10.988 ( -6.318 -3.320 -3.408) 7.909 11.168 ( 4.497 0.871 -3.180) 5.576 11.344 ( 1.035 -0.815 -7.822) 7.932 11.533 ( 3.528 -5.185 -0.705) 6.311 11.660 ( 7.224 -4.496 1.663) 8.670 11.817 ( 17.417 -3.982 8.086) 19.611 12.139 ( 16.352 5.921 -1.694) 17.474 12.348 ( 6.681 2.059 0.736) 7.030 12.624 ( 11.138 -1.392 2.602) 11.522 12.642 ( 4.604 -1.080 2.774) 5.482 13.536 ( -21.244 -4.087 6.280) 22.527 13.685 ( -8.338 -5.408 -2.845) 10.337 13.775 ( -12.995 2.698 0.189) 13.274 14.157 ( -25.575 -10.174 -5.740) 28.117 21.973 ( 2.740 10.817 -6.544) 12.936 22.157 ( -2.534 6.930 -6.918) 10.115 22.489 ( -2.492 -3.729 2.125) 4.963 22.686 ( 1.489 0.003 -2.450) 2.867 22.884 ( 2.194 6.712 1.142) 7.153 23.000 ( 0.761 3.802 3.830) 5.450 23.466 ( 6.600 -7.141 -4.804) 10.846 23.482 ( 2.026 -2.856 -2.156) 4.112 23.664 ( 0.488 -0.031 1.379) 1.463 23.816 ( 4.398 -2.564 7.038) 8.686 23.844 ( 0.151 3.408 -3.708) 5.038 24.167 ( 7.744 -0.619 4.440) 8.948 24.284 ( -0.941 -1.250 -4.632) 4.889 24.379 ( 3.294 -0.408 5.305) 6.258 24.777 ( -13.038 -3.879 -0.954) 13.637 25.077 ( -6.504 2.649 3.749) 7.960 ======================= Grid point 144 (75/128) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 4.924 13.796 5.672) 15.708 1.591 ( -4.044 3.454 -11.286) 12.476 1.812 ( -4.385 17.887 18.245) 25.924 2.363 ( -3.847 5.721 6.123) 9.221 2.550 ( 5.913 1.521 2.625) 6.646 2.638 ( 7.526 6.724 5.550) 11.517 2.730 ( -5.042 0.592 6.374) 8.149 2.763 ( -2.677 -0.674 -2.889) 3.996 2.890 ( 5.863 8.040 0.124) 9.951 3.149 ( 1.379 9.525 8.414) 12.783 3.430 ( -0.569 -10.904 1.500) 11.022 3.479 ( 1.266 -3.098 0.061) 3.347 3.676 ( 6.705 -4.441 3.007) 8.586 3.802 ( -0.566 2.731 1.154) 3.018 4.025 ( 4.943 5.310 -2.623) 7.714 4.124 ( -0.980 1.176 0.113) 1.535 4.319 ( -5.845 -7.214 10.252) 13.832 4.492 ( -3.741 -3.315 6.391) 8.113 4.623 ( -1.276 -0.221 7.158) 7.274 4.851 ( 3.371 2.865 -1.337) 4.621 4.907 ( 4.661 6.635 4.252) 9.156 5.021 ( -6.859 -4.692 7.989) 11.528 5.101 ( -3.411 -7.992 4.502) 9.787 5.362 ( -4.789 2.715 -4.584) 7.163 5.643 ( -2.715 -4.829 -5.887) 8.083 5.828 ( 1.690 -1.296 -4.126) 4.643 5.986 ( -1.642 5.424 -1.146) 5.782 6.023 ( 0.118 1.950 -4.619) 5.016 6.172 ( 3.632 -3.384 -2.939) 5.769 6.319 ( 3.886 0.354 -2.731) 4.763 6.442 ( 1.177 -0.955 1.508) 2.138 6.521 ( 0.304 -4.011 -0.909) 4.124 6.915 ( -1.128 0.747 -3.253) 3.523 7.045 ( 3.674 0.366 -0.197) 3.697 7.287 ( -4.761 -1.970 0.051) 5.153 7.491 ( 7.961 -3.912 -3.032) 9.375 8.595 ( 0.193 -2.022 8.299) 8.544 8.787 ( 1.195 -6.005 2.747) 6.711 9.171 ( 2.984 8.497 -8.659) 12.493 9.434 ( 2.727 0.900 -7.942) 8.445 10.118 ( 1.663 12.751 -3.737) 13.391 10.427 ( -6.187 13.375 -8.483) 17.004 10.797 ( -3.612 -7.008 3.328) 8.558 11.193 ( -1.410 -2.416 -6.631) 7.197 11.242 ( 2.208 -1.171 -2.550) 3.571 11.383 ( -0.766 -6.624 -4.771) 8.199 11.667 ( 3.338 -2.625 -0.419) 4.267 11.876 ( 5.098 -5.932 -4.451) 8.999 12.418 ( -6.550 2.635 3.405) 7.838 12.495 ( -2.506 0.930 0.715) 2.767 12.711 ( 6.301 1.026 3.876) 7.468 12.819 ( 15.039 -1.502 0.065) 15.114 13.247 ( -18.824 -0.201 8.223) 20.543 13.426 ( -9.181 -7.500 5.360) 13.010 13.697 ( 1.028 1.326 0.221) 1.693 13.773 ( -0.442 -1.085 -2.268) 2.553 22.065 ( -0.029 4.681 -3.446) 5.812 22.229 ( -1.510 11.956 -9.721) 15.483 22.387 ( -1.823 -5.027 1.556) 5.569 22.642 ( -0.966 -1.646 -5.614) 5.930 22.967 ( -0.927 1.370 2.356) 2.878 23.093 ( -4.069 1.319 -1.110) 4.419 23.366 ( 1.337 -4.531 3.225) 5.720 23.446 ( -0.007 -2.537 1.509) 2.952 23.725 ( -0.294 3.252 1.330) 3.526 23.769 ( -0.638 1.984 0.306) 2.107 23.944 ( 2.000 2.936 -2.765) 4.502 24.156 ( 2.849 -2.348 -7.617) 8.465 24.287 ( -0.281 3.842 4.229) 5.721 24.473 ( -1.525 6.024 2.030) 6.537 24.724 ( -2.437 -5.298 9.261) 10.944 25.075 ( 8.120 -7.272 0.369) 10.907 ======================= Grid point 145 (76/128) ======================= q-point: ( 0.11 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 21.981 9.050 0.743) 23.782 1.598 ( 20.846 8.700 -3.438) 22.849 1.984 ( 1.123 16.649 14.318) 21.988 2.424 ( -0.371 2.778 9.341) 9.752 2.558 ( -3.213 4.545 -4.905) 7.418 2.680 ( 4.631 1.546 -0.003) 4.882 2.738 ( 2.638 0.003 -3.213) 4.157 2.955 ( 14.536 3.897 -4.093) 15.596 3.096 ( 10.400 10.304 9.115) 17.245 3.248 ( 4.049 4.316 3.364) 6.808 3.436 ( -2.291 -3.596 0.450) 4.288 3.544 ( 5.642 -15.470 5.101) 17.239 3.746 ( -0.405 0.806 1.072) 1.401 3.901 ( 4.884 4.427 1.177) 6.696 3.982 ( 0.665 -1.664 -5.099) 5.405 4.129 ( 0.668 2.482 -3.115) 4.039 4.347 ( -4.334 -4.343 7.739) 9.876 4.491 ( -4.197 -4.781 5.494) 8.406 4.695 ( -5.437 -3.725 12.901) 14.487 4.806 ( -4.266 1.640 -1.921) 4.958 5.018 ( 4.796 7.477 -4.196) 9.824 5.102 ( 0.673 -7.518 8.114) 11.082 5.138 ( 1.604 -6.399 11.998) 13.692 5.259 ( -1.467 1.712 0.943) 2.443 5.547 ( 0.395 -4.656 -6.655) 8.132 5.763 ( -0.225 -2.339 -8.182) 8.512 5.904 ( -2.012 5.308 -4.322) 7.135 6.021 ( 0.859 11.028 1.494) 11.161 6.179 ( 1.089 -0.894 -0.904) 1.674 6.372 ( 6.803 0.635 -6.341) 9.321 6.440 ( -1.764 -3.476 -0.675) 3.956 6.584 ( 6.974 -3.673 -0.844) 7.927 6.856 ( -2.582 0.134 -0.755) 2.694 7.086 ( 1.997 -2.864 -2.992) 4.598 7.226 ( -1.051 4.299 1.436) 4.653 7.624 ( 12.363 -5.259 -4.390) 14.134 8.696 ( -0.115 -2.068 8.086) 8.347 8.812 ( -1.450 -2.637 1.544) 3.383 9.093 ( 0.770 8.104 -9.413) 12.445 9.379 ( 2.146 -0.056 -7.885) 8.172 10.135 ( 2.481 12.114 0.849) 12.395 10.262 ( -1.974 11.103 -6.360) 12.947 10.813 ( -4.369 -7.109 9.150) 12.383 11.071 ( -3.960 -6.124 -5.629) 9.213 11.212 ( -0.264 1.589 -5.903) 6.119 11.320 ( -0.675 -6.996 -2.142) 7.348 11.674 ( -2.516 -0.870 0.074) 2.663 11.840 ( -0.196 -4.195 -6.258) 7.537 12.267 ( -13.522 1.799 1.834) 13.764 12.313 ( -16.477 0.237 2.030) 16.603 12.680 ( -11.863 2.866 1.849) 12.344 12.878 ( -16.513 -2.749 0.528) 16.748 13.253 ( 14.517 -1.150 4.784) 15.328 13.469 ( 7.753 -7.582 4.229) 11.640 13.845 ( 12.545 1.821 2.119) 12.852 13.921 ( 15.858 -0.835 -0.470) 15.887 22.026 ( -0.612 5.227 -2.133) 5.678 22.131 ( 0.861 9.971 -4.953) 11.167 22.379 ( -2.245 -4.963 2.545) 6.013 22.563 ( -1.118 -3.920 -4.049) 5.746 22.950 ( -5.108 0.525 0.240) 5.141 22.998 ( -6.545 -1.693 2.760) 7.302 23.358 ( -2.390 3.139 1.007) 4.071 23.472 ( -1.615 -0.167 1.539) 2.237 23.712 ( -0.923 1.807 -0.229) 2.042 23.783 ( 1.128 3.584 0.220) 3.764 23.944 ( 0.806 1.080 -0.933) 1.639 24.158 ( 5.982 -3.317 -3.968) 7.908 24.292 ( -3.199 4.503 2.035) 5.886 24.516 ( 3.036 6.179 1.497) 7.045 24.691 ( -8.070 -1.758 5.038) 9.674 25.302 ( 16.114 -11.165 -2.192) 19.726 ======================= Grid point 146 (77/128) ======================= q-point: ( 0.22 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 20.899 10.370 2.081) 23.423 2.074 ( 25.157 4.834 3.845) 25.904 2.198 ( 10.934 11.180 6.324) 16.868 2.447 ( -2.300 1.006 -4.571) 5.215 2.531 ( 1.038 10.595 2.319) 10.896 2.676 ( -0.269 -3.387 0.132) 3.400 2.852 ( 8.089 1.668 0.127) 8.261 2.987 ( 4.375 12.380 -9.071) 15.959 3.310 ( 10.408 -1.014 0.806) 10.488 3.380 ( -1.012 6.198 4.193) 7.551 3.506 ( 6.376 -7.500 3.471) 10.438 3.665 ( 4.414 -12.474 -1.813) 13.355 3.731 ( 1.415 1.914 -3.900) 4.569 3.857 ( -0.003 4.053 -2.259) 4.640 4.022 ( 3.172 0.375 -6.136) 6.918 4.052 ( -1.471 -2.152 -1.475) 2.995 4.372 ( -0.227 0.482 1.367) 1.467 4.468 ( -4.989 -6.962 2.654) 8.967 4.730 ( -3.555 1.613 8.848) 9.671 4.802 ( -2.058 -0.479 7.903) 8.181 4.939 ( -1.014 1.441 -6.398) 6.636 5.275 ( 6.627 3.379 1.916) 7.681 5.287 ( 4.280 -4.844 4.511) 7.882 5.400 ( 4.506 -4.770 12.475) 14.095 5.513 ( 1.983 -5.613 0.957) 6.030 5.659 ( -2.271 -2.037 -2.983) 4.267 5.847 ( 3.924 6.083 -8.421) 11.105 6.064 ( 0.845 11.475 2.013) 11.681 6.193 ( -0.569 -0.622 1.663) 1.864 6.359 ( 0.469 3.059 -4.949) 5.837 6.417 ( 1.228 -2.576 -2.327) 3.683 6.606 ( 1.460 1.620 -7.395) 7.710 6.883 ( 2.865 -5.597 5.246) 8.188 7.038 ( -1.471 -4.140 -3.965) 5.918 7.280 ( 4.939 6.642 -0.476) 8.291 7.765 ( 10.738 -6.284 -4.633) 13.276 8.731 ( -2.432 0.806 -3.772) 4.560 8.811 ( -3.199 -2.206 7.696) 8.621 8.989 ( 0.352 5.425 -7.165) 8.994 9.311 ( 1.030 -2.119 -7.742) 8.093 10.159 ( 0.648 10.584 -2.163) 10.822 10.268 ( 3.731 10.685 4.549) 12.198 10.849 ( -7.350 -5.675 11.048) 14.432 10.956 ( -3.281 -8.762 -0.573) 9.374 11.127 ( -2.128 2.110 -3.387) 4.523 11.292 ( 1.173 -4.721 -4.339) 6.518 11.592 ( -8.230 1.790 2.300) 8.731 11.751 ( -1.681 -2.979 -5.263) 6.276 12.063 ( -11.859 -0.037 0.015) 11.859 12.066 ( -12.834 -0.073 -1.687) 12.944 12.496 ( -12.114 0.565 3.251) 12.556 12.580 ( -18.633 -2.022 1.500) 18.802 13.541 ( 13.888 -2.228 2.248) 14.244 13.695 ( 12.924 -5.932 2.133) 14.379 14.093 ( 11.934 2.666 3.640) 12.759 14.192 ( 15.077 -0.875 0.958) 15.133 22.003 ( 0.372 5.806 -0.860) 5.881 22.132 ( 2.510 7.828 -0.245) 8.224 22.369 ( -3.070 -5.008 2.802) 6.508 22.517 ( -0.665 -3.663 -1.020) 3.860 22.841 ( -7.199 -0.607 1.312) 7.343 22.934 ( -6.682 -2.637 3.670) 8.066 23.345 ( 0.301 6.949 -2.339) 7.339 23.419 ( -4.348 2.746 0.726) 5.193 23.679 ( -3.308 1.019 -0.236) 3.469 23.812 ( 2.414 2.863 -0.119) 3.747 23.951 ( 0.352 0.236 0.620) 0.751 24.210 ( 1.037 -1.034 -0.690) 1.619 24.283 ( 4.611 -3.017 -2.929) 6.241 24.465 ( -7.660 -2.234 -0.864) 8.026 24.737 ( 5.025 9.501 4.179) 11.532 25.495 ( 11.665 -9.990 -4.238) 15.932 ======================= Grid point 147 (78/128) ======================= q-point: ( 0.33 0.29 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 5.899 4.625 -2.116) 7.789 2.359 ( -0.739 6.926 -0.811) 7.013 2.407 ( 14.253 7.991 3.183) 16.647 2.501 ( 5.749 9.885 0.218) 11.437 2.574 ( 14.168 4.731 0.048) 14.937 2.718 ( -2.785 -5.296 7.664) 9.723 2.814 ( 4.063 13.632 -12.893) 19.198 3.118 ( 6.777 4.882 3.589) 9.091 3.300 ( -2.608 -3.524 -4.245) 6.102 3.456 ( -1.772 3.463 0.674) 3.948 3.596 ( 2.826 -0.418 4.052) 4.957 3.656 ( 0.155 -12.033 -3.374) 12.498 3.733 ( 10.729 3.547 -7.701) 13.675 3.827 ( -1.195 -2.193 -4.643) 5.272 4.009 ( 6.771 0.788 -1.274) 6.935 4.123 ( 4.725 -8.253 1.507) 9.629 4.363 ( -0.247 -1.302 -0.691) 1.494 4.446 ( -0.690 -1.186 2.421) 2.783 4.806 ( -2.366 0.901 -0.363) 2.558 4.809 ( 2.321 6.045 2.882) 7.088 4.916 ( -1.565 2.464 4.470) 5.338 5.273 ( -1.181 -2.130 -3.987) 4.672 5.390 ( 3.949 -2.148 -3.126) 5.476 5.538 ( -0.445 0.467 4.001) 4.053 5.645 ( -1.065 -9.937 7.086) 12.251 5.702 ( 7.129 -1.121 6.989) 10.046 5.794 ( 2.535 6.832 -9.922) 12.311 6.072 ( -1.513 10.262 0.991) 10.420 6.184 ( -3.680 -1.627 3.556) 5.370 6.327 ( 3.439 5.883 -3.405) 7.617 6.425 ( 2.137 -0.086 -0.610) 2.224 6.536 ( 1.506 2.403 -6.057) 6.688 6.932 ( -3.477 -4.856 -1.743) 6.222 7.035 ( 4.976 -7.758 2.439) 9.534 7.339 ( 4.387 6.852 -3.403) 8.819 7.850 ( 6.775 -6.226 -5.943) 10.954 8.564 ( -7.343 3.737 -7.807) 11.350 8.812 ( -1.625 -5.280 -1.632) 5.760 8.985 ( 1.673 2.551 2.834) 4.164 9.241 ( 1.372 -3.150 -5.968) 6.886 10.163 ( 2.041 10.834 -0.564) 11.039 10.389 ( 0.785 10.887 6.993) 12.963 10.826 ( -7.094 -4.103 8.217) 11.605 10.985 ( -0.608 -8.688 7.913) 11.767 11.078 ( -0.370 2.462 -0.764) 2.604 11.242 ( -1.206 -1.663 -3.905) 4.413 11.502 ( -6.627 1.370 4.660) 8.217 11.666 ( 0.044 -1.602 -6.274) 6.475 11.855 ( -8.665 -1.936 -3.199) 9.437 11.901 ( -6.098 -1.939 -2.125) 6.743 12.317 ( -14.149 -0.439 0.818) 14.180 12.389 ( -6.555 -1.862 3.776) 7.791 13.761 ( 8.991 -2.128 2.903) 9.684 13.917 ( 10.361 -5.267 2.497) 11.888 14.297 ( 6.651 3.175 4.025) 8.398 14.410 ( 9.056 -0.705 1.485) 9.204 22.021 ( 1.967 5.542 0.597) 5.911 22.189 ( 2.255 7.303 2.322) 7.988 22.347 ( -3.080 -4.872 2.696) 6.363 22.515 ( -0.625 -1.320 2.189) 2.631 22.768 ( -5.366 -0.579 3.978) 6.704 22.872 ( -5.263 -3.294 2.605) 6.733 23.277 ( -2.432 3.236 -3.071) 5.081 23.401 ( 0.442 6.456 -0.310) 6.479 23.596 ( -4.168 1.021 -3.046) 5.262 23.856 ( 2.057 2.695 1.053) 3.550 23.971 ( 0.352 0.323 1.601) 1.671 24.168 ( -2.344 -0.575 -3.700) 4.418 24.323 ( 1.737 -5.210 -4.545) 7.128 24.356 ( -0.348 -2.584 -1.436) 2.976 24.873 ( 4.002 9.248 5.026) 11.261 25.587 ( 7.224 -8.527 -6.113) 12.739 ======================= Grid point 148 (79/128) ======================= q-point: (-0.56 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -8.387 4.746 -4.580) 10.670 2.357 ( -2.484 13.169 0.403) 13.407 2.485 ( 3.383 3.436 -5.122) 7.035 2.665 ( 0.112 17.904 3.704) 18.284 2.700 ( 0.412 -3.302 1.303) 3.574 2.801 ( 7.953 4.912 -3.117) 9.854 2.847 ( 9.388 0.979 4.849) 10.611 3.140 ( 1.565 3.606 -8.419) 9.292 3.248 ( -1.532 4.300 0.725) 4.622 3.338 ( -3.473 -3.208 -8.054) 9.339 3.684 ( 4.147 -7.845 2.673) 9.268 3.696 ( -0.883 -0.818 4.699) 4.851 3.777 ( 1.078 1.705 5.287) 5.658 3.897 ( 11.286 -2.775 -5.440) 12.832 4.089 ( 1.846 -3.770 -1.659) 4.513 4.198 ( 2.970 -6.553 1.553) 7.360 4.406 ( 3.715 -4.210 2.605) 6.190 4.440 ( -2.542 5.571 -1.079) 6.218 4.765 ( -0.474 1.094 -2.085) 2.402 4.820 ( -4.267 5.392 -0.730) 6.915 4.928 ( -3.332 3.409 3.391) 5.850 5.202 ( -1.163 -1.077 -3.020) 3.411 5.316 ( -6.621 -4.398 -4.923) 9.350 5.464 ( -7.128 2.488 -3.178) 8.191 5.640 ( -6.577 0.928 0.419) 6.655 5.754 ( 2.971 -0.675 1.722) 3.500 5.899 ( 7.261 -3.156 4.069) 8.902 6.070 ( -0.340 11.117 1.720) 11.254 6.211 ( 0.862 -4.072 4.200) 5.913 6.350 ( 3.226 4.444 -5.003) 7.429 6.489 ( 7.052 0.853 -1.379) 7.236 6.513 ( 2.591 -0.805 -5.230) 5.892 6.855 ( -3.121 -1.123 0.903) 3.438 7.136 ( 3.969 -8.243 1.575) 9.284 7.331 ( 0.880 7.226 -5.111) 8.895 7.836 ( 2.586 -4.915 -9.164) 10.716 8.357 ( -6.363 2.777 -5.666) 8.961 8.749 ( 0.047 -8.176 -5.909) 10.088 9.060 ( 1.882 1.680 3.530) 4.339 9.236 ( 4.212 -2.028 -2.161) 5.150 10.210 ( 2.719 12.280 1.799) 12.706 10.437 ( -2.165 12.412 3.000) 12.952 10.846 ( -4.072 -3.356 10.159) 11.447 11.063 ( 1.917 -5.585 2.503) 6.413 11.112 ( -2.840 0.681 6.097) 6.760 11.188 ( -0.087 -0.890 2.130) 2.310 11.494 ( 0.934 -0.416 1.002) 1.431 11.601 ( 3.711 -0.044 -10.050) 10.714 11.724 ( -4.242 -4.204 0.565) 5.999 11.802 ( -2.789 -4.411 -3.104) 6.072 12.141 ( -8.451 2.528 2.018) 9.049 12.365 ( -1.493 -3.255 2.620) 4.437 13.904 ( 2.949 -1.746 4.136) 5.372 14.089 ( 5.907 -6.307 3.100) 9.180 14.401 ( 0.127 3.350 4.012) 5.228 14.516 ( 1.638 -0.364 1.317) 2.133 22.077 ( 2.796 5.223 1.719) 6.169 22.233 ( -0.004 5.947 1.067) 6.041 22.361 ( -0.105 -1.825 4.902) 5.231 22.543 ( -0.547 1.271 3.865) 4.105 22.752 ( -3.397 0.126 4.682) 5.786 22.831 ( -3.166 -3.297 2.927) 5.428 23.236 ( 1.097 -0.011 -1.842) 2.145 23.402 ( -0.065 6.883 0.099) 6.884 23.479 ( -2.272 -0.049 -6.845) 7.212 23.903 ( 1.450 2.872 2.004) 3.790 23.982 ( -0.737 0.833 -1.932) 2.230 24.067 ( -1.830 -2.284 -4.153) 5.080 24.288 ( -0.524 -1.101 -0.739) 1.426 24.352 ( 1.996 -3.522 -4.335) 5.932 24.978 ( 0.400 6.393 6.040) 8.804 25.591 ( 3.659 -7.890 -7.843) 11.712 ======================= Grid point 149 (80/128) ======================= q-point: (-0.44 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -13.849 8.645 1.747) 16.419 2.233 ( -10.824 16.239 -1.509) 19.574 2.488 ( 3.482 1.351 -4.730) 6.027 2.617 ( -7.767 -1.574 2.781) 8.399 2.703 ( -2.265 8.407 3.148) 9.259 2.910 ( 7.821 2.148 -6.366) 10.311 2.992 ( 0.173 10.467 3.272) 10.968 3.087 ( 2.488 0.330 -1.577) 2.964 3.167 ( -2.471 1.011 -8.472) 8.882 3.287 ( 5.953 -0.962 -3.876) 7.168 3.698 ( -4.421 -6.196 2.300) 7.952 3.770 ( -3.267 2.652 3.601) 5.538 3.884 ( -3.532 -3.472 5.176) 7.164 3.904 ( -1.523 -1.887 1.004) 2.625 4.022 ( -4.827 3.629 -4.469) 7.512 4.242 ( -0.589 -4.008 -0.120) 4.053 4.338 ( -4.971 3.735 -1.492) 6.394 4.486 ( 0.763 -1.357 1.530) 2.183 4.654 ( -12.929 1.531 1.857) 13.151 4.736 ( -2.353 -4.003 -0.080) 4.644 4.872 ( -2.582 0.896 -3.271) 4.263 5.087 ( -10.301 -4.509 0.191) 11.246 5.257 ( 3.596 6.648 -3.693) 8.412 5.336 ( -4.258 -1.642 4.076) 6.119 5.562 ( -1.677 2.573 1.772) 3.546 5.821 ( 0.539 3.286 3.316) 4.699 6.012 ( 1.842 4.773 1.226) 5.261 6.162 ( 4.114 -1.991 7.626) 8.891 6.241 ( -0.450 -0.815 -2.469) 2.639 6.325 ( 3.288 -4.574 -5.234) 7.689 6.464 ( 0.895 -3.250 -6.789) 7.580 6.543 ( 5.785 -0.764 -9.069) 10.784 6.904 ( 3.082 2.450 6.341) 7.464 7.211 ( 3.952 -3.899 -2.624) 6.141 7.260 ( -2.290 5.331 -0.915) 5.874 7.722 ( -0.287 -3.473 -12.231) 12.717 8.249 ( -2.063 0.972 -0.386) 2.313 8.682 ( 1.311 -9.679 -6.854) 11.933 9.125 ( 2.750 2.875 1.120) 4.133 9.317 ( 6.492 -1.156 -0.144) 6.596 10.290 ( 2.723 13.745 3.174) 14.367 10.410 ( -0.772 14.401 -1.656) 14.516 10.923 ( -1.833 -3.073 9.995) 10.616 11.064 ( -7.664 1.810 5.522) 9.618 11.162 ( 7.514 -6.043 1.425) 9.747 11.299 ( 3.727 -3.718 4.859) 7.164 11.522 ( 4.398 -0.246 -6.399) 7.769 11.561 ( 7.555 1.088 -8.344) 11.308 11.681 ( -5.860 -5.651 -0.509) 8.157 11.778 ( 5.850 -4.368 0.835) 7.348 12.103 ( -1.873 3.950 5.421) 6.964 12.389 ( 1.814 -3.640 0.458) 4.093 13.952 ( -3.953 -1.620 5.014) 6.587 14.156 ( -1.468 -7.350 0.487) 7.511 14.407 ( -5.983 2.447 4.943) 8.137 14.509 ( -3.755 -0.474 1.867) 4.220 22.142 ( 1.553 5.438 2.305) 6.107 22.238 ( 1.691 3.712 -0.896) 4.177 22.452 ( 2.472 3.609 6.125) 7.526 22.575 ( -0.170 2.065 1.831) 2.765 22.773 ( -0.844 1.454 5.903) 6.138 22.856 ( -0.755 -3.580 6.519) 7.476 23.232 ( 1.530 2.098 -4.803) 5.460 23.355 ( -0.066 2.116 -7.658) 7.945 23.436 ( 1.399 -1.285 2.812) 3.394 23.859 ( -3.497 -1.236 -9.192) 9.912 23.953 ( 1.015 2.184 2.313) 3.339 24.044 ( -0.646 0.857 0.163) 1.086 24.278 ( 0.028 -0.825 -0.705) 1.086 24.328 ( 1.144 -1.560 -3.152) 3.699 25.031 ( -3.471 3.612 7.220) 8.788 25.523 ( 0.568 -8.141 -9.190) 12.291 ======================= Grid point 150 (81/128) ======================= q-point: (-0.33 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -16.037 11.214 10.555) 22.234 1.989 ( -16.848 17.578 -1.397) 24.388 2.456 ( -0.998 -6.743 -3.766) 7.788 2.505 ( -10.101 -4.414 3.012) 11.427 2.694 ( -4.436 9.363 3.456) 10.922 2.903 ( 4.369 2.321 -9.654) 10.848 2.974 ( -7.986 16.107 7.090) 19.326 3.015 ( -4.868 1.384 -8.451) 9.850 3.152 ( 2.863 -2.723 -0.694) 4.012 3.299 ( -0.544 2.482 -6.414) 6.899 3.503 ( -13.871 2.341 -4.490) 14.766 3.593 ( -15.878 5.278 2.249) 16.883 3.747 ( -8.186 -10.061 -1.727) 13.085 3.898 ( -5.701 7.819 1.685) 9.823 4.007 ( -2.645 -1.760 6.823) 7.526 4.146 ( -4.779 -3.932 -2.124) 6.543 4.299 ( -0.654 2.235 1.053) 2.556 4.459 ( -2.152 3.714 -0.312) 4.304 4.571 ( -4.281 -3.233 5.295) 7.538 4.689 ( -4.041 -4.514 2.501) 6.554 4.818 ( -3.283 -2.474 1.546) 4.392 4.937 ( -8.045 -3.186 2.152) 8.916 5.188 ( -3.553 5.787 -0.222) 6.795 5.449 ( 4.770 0.919 2.864) 5.639 5.637 ( 3.319 0.403 5.071) 6.074 5.868 ( -0.015 6.063 4.401) 7.492 6.012 ( 1.168 9.842 -6.157) 11.668 6.175 ( -2.135 -3.894 1.399) 4.656 6.288 ( -0.708 -3.429 2.474) 4.288 6.308 ( 1.005 -7.612 -2.503) 8.075 6.429 ( 1.640 -5.435 -3.288) 6.560 6.509 ( 7.158 -6.626 -10.809) 14.559 7.036 ( 4.301 2.934 3.109) 6.064 7.124 ( -3.008 4.307 -5.169) 7.370 7.321 ( 2.854 -3.212 1.120) 4.440 7.561 ( -1.609 -2.650 -9.861) 10.337 8.270 ( 1.357 -1.258 3.946) 4.358 8.637 ( 2.015 -9.743 -4.553) 10.942 9.179 ( 4.214 5.262 -1.916) 7.008 9.419 ( 6.455 -0.588 -1.502) 6.653 10.297 ( -1.491 12.181 -3.254) 12.696 10.466 ( 7.236 17.752 1.622) 19.238 11.004 ( -2.640 -4.905 7.021) 8.962 11.038 ( -1.838 3.642 6.343) 7.541 11.326 ( 9.683 -7.083 -0.692) 12.017 11.382 ( 3.111 -4.245 0.875) 5.336 11.487 ( 3.320 -0.744 -9.257) 9.862 11.533 ( -3.693 -4.766 -5.291) 8.022 11.707 ( 11.804 3.626 1.325) 12.419 11.957 ( 12.950 -3.108 1.167) 13.369 12.189 ( 2.361 2.138 7.565) 8.208 12.432 ( 3.962 -3.405 -1.231) 5.367 13.887 ( -11.044 -2.162 4.596) 12.156 14.043 ( -9.842 -6.333 -2.768) 12.026 14.303 ( -12.217 2.556 2.884) 12.811 14.465 ( -7.684 -4.557 4.991) 10.233 22.164 ( -0.032 5.575 -0.359) 5.586 22.289 ( 4.434 2.312 0.194) 5.004 22.525 ( 0.899 6.780 -1.706) 7.049 22.642 ( 5.612 2.579 4.799) 7.821 22.868 ( 1.443 3.159 7.470) 8.238 22.960 ( 0.392 -3.398 10.443) 10.988 23.158 ( 1.550 6.464 -7.706) 10.176 23.300 ( 3.922 -4.595 -7.223) 9.416 23.517 ( 0.835 -1.977 5.680) 6.072 23.684 ( -3.658 -2.246 -8.581) 9.595 23.988 ( -0.031 2.608 1.393) 2.957 24.023 ( -0.646 2.245 -0.937) 2.517 24.272 ( 0.106 -0.677 -0.400) 0.794 24.319 ( 1.208 -0.850 -1.914) 2.418 25.041 ( -6.686 1.443 8.215) 10.690 25.386 ( -3.325 -8.400 -9.868) 13.379 ======================= Grid point 151 (82/128) ======================= q-point: (-0.22 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -18.765 11.390 15.854) 27.077 1.654 ( -19.894 16.949 3.312) 26.345 2.321 ( -14.246 -6.080 -2.320) 15.662 2.401 ( -2.768 -9.768 0.566) 10.168 2.631 ( -6.637 10.144 0.250) 12.125 2.730 ( -20.065 19.590 4.592) 28.416 2.820 ( -5.116 -0.975 -8.107) 9.636 2.928 ( -5.882 -0.288 -2.463) 6.384 3.011 ( -7.056 3.202 2.308) 8.085 3.220 ( -6.001 12.602 -6.321) 15.322 3.340 ( -0.846 2.148 6.548) 6.943 3.515 ( -0.242 -2.515 -0.361) 2.552 3.571 ( -7.096 -6.873 -2.120) 10.104 3.847 ( -3.377 2.907 2.677) 5.198 3.919 ( -5.906 -2.995 -1.108) 6.714 4.173 ( 0.930 2.764 3.889) 4.861 4.318 ( 0.116 1.542 2.040) 2.560 4.426 ( -1.676 0.372 -0.244) 1.734 4.556 ( -4.545 3.329 4.586) 7.264 4.691 ( -2.244 -0.170 7.126) 7.473 4.781 ( -1.605 -4.988 1.681) 5.503 4.943 ( 1.461 -2.130 5.049) 5.671 5.150 ( -5.040 -1.169 4.711) 6.997 5.492 ( 0.525 4.743 -1.956) 5.157 5.725 ( 1.222 -1.892 3.049) 3.790 5.884 ( -4.233 6.358 1.322) 7.751 5.955 ( 1.970 6.593 -3.493) 7.717 6.180 ( -0.654 -8.854 -5.491) 10.439 6.263 ( 0.948 -0.267 4.167) 4.282 6.311 ( 1.027 -3.253 -4.171) 5.388 6.411 ( 0.594 -7.750 -1.478) 7.912 6.516 ( 2.462 -6.950 -3.240) 8.054 7.034 ( -2.130 1.413 -2.119) 3.320 7.078 ( 0.451 1.992 -3.862) 4.369 7.310 ( 1.675 -3.307 -6.325) 7.331 7.491 ( -2.191 -2.758 2.325) 4.221 8.369 ( 2.519 -2.725 6.279) 7.293 8.649 ( 2.920 -9.394 -0.101) 9.838 9.211 ( 4.877 7.314 -5.416) 10.325 9.479 ( 4.912 0.112 -4.427) 6.613 10.224 ( -0.237 12.377 -5.659) 13.611 10.594 ( 5.083 14.471 -0.282) 15.340 11.032 ( 0.172 -2.348 -1.487) 2.785 11.120 ( 1.984 0.606 4.298) 4.772 11.362 ( -0.279 -3.912 -1.868) 4.345 11.389 ( 2.457 -0.914 -4.511) 5.218 11.469 ( 0.432 -5.399 -0.379) 5.429 11.541 ( 11.454 -3.081 -2.106) 12.046 11.969 ( 16.071 4.395 1.775) 16.755 12.197 ( 15.089 -0.243 -1.210) 15.140 12.357 ( 7.006 -1.101 7.424) 10.267 12.498 ( 5.525 -2.769 -0.141) 6.182 13.705 ( -16.357 -3.019 3.356) 16.969 13.802 ( -14.283 -5.943 -2.487) 15.669 14.093 ( -16.356 3.334 1.987) 16.810 14.322 ( -16.500 -7.464 3.054) 18.366 22.146 ( 0.378 4.957 -2.926) 5.769 22.359 ( 2.926 0.608 0.229) 2.997 22.491 ( 0.847 7.023 -5.710) 9.091 22.762 ( 2.717 4.780 -1.675) 5.747 22.961 ( 2.243 3.851 1.731) 4.781 23.012 ( -0.240 3.717 3.546) 5.143 23.230 ( 5.901 -8.268 -2.467) 10.453 23.377 ( 11.304 -2.487 5.845) 12.966 23.512 ( -0.942 -0.061 -1.869) 2.094 23.640 ( 0.747 -1.703 4.834) 5.180 23.966 ( 0.187 4.021 -3.338) 5.230 24.038 ( 0.986 1.332 2.392) 2.910 24.274 ( 0.146 -0.911 0.595) 1.098 24.311 ( 0.658 -1.058 -2.207) 2.535 24.989 ( -10.734 -0.204 4.429) 11.614 25.187 ( -7.804 -5.676 -5.385) 11.050 ======================= Grid point 152 (83/128) ======================= q-point: (-0.11 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -20.602 15.052 7.477) 26.588 1.647 ( -8.581 14.924 20.945) 27.112 1.954 ( -17.827 -3.172 -9.768) 20.574 2.382 ( -0.568 0.258 -0.491) 0.794 2.500 ( -4.228 3.467 -0.318) 5.477 2.547 ( -11.549 7.659 7.762) 15.884 2.700 ( -5.267 12.702 9.733) 16.847 2.846 ( -0.152 -0.582 -2.596) 2.665 2.969 ( -13.430 2.615 3.715) 14.178 3.067 ( 1.653 7.168 -2.593) 7.800 3.410 ( -1.417 -3.276 6.464) 7.383 3.463 ( 2.470 -1.581 -4.242) 5.157 3.570 ( 2.585 -4.050 0.084) 4.806 3.827 ( -3.878 -1.055 2.766) 4.879 3.908 ( 5.032 4.562 1.871) 7.045 4.176 ( -2.671 2.767 -0.721) 3.913 4.320 ( -4.300 -2.194 4.337) 6.489 4.437 ( 0.531 -3.071 4.579) 5.539 4.576 ( -1.633 4.668 5.770) 7.599 4.771 ( 1.452 3.463 6.150) 7.206 4.812 ( 2.961 -1.274 0.978) 3.369 5.024 ( -2.183 -2.595 6.773) 7.574 5.121 ( -5.250 -6.049 4.562) 9.218 5.457 ( 0.123 5.492 -4.636) 7.188 5.745 ( -0.431 -4.374 -3.288) 5.490 5.828 ( -2.433 2.770 1.879) 4.138 5.971 ( 2.705 5.229 -1.049) 5.980 6.095 ( 1.318 -9.001 -6.992) 11.474 6.196 ( -4.623 -1.948 -2.752) 5.722 6.347 ( -2.302 -3.907 0.463) 4.558 6.403 ( 3.053 0.047 -1.202) 3.282 6.523 ( 0.697 -3.417 0.055) 3.488 6.990 ( -1.754 0.532 -5.295) 5.603 7.008 ( 0.608 1.129 -0.698) 1.460 7.304 ( 3.906 -3.578 -3.117) 6.146 7.473 ( -3.558 -3.432 2.184) 5.404 8.487 ( 1.586 -2.604 7.287) 7.899 8.717 ( 2.713 -8.297 2.832) 9.177 9.208 ( 4.424 8.229 -7.723) 12.121 9.476 ( 3.401 0.717 -7.005) 7.820 10.159 ( 0.881 12.662 -5.937) 14.013 10.595 ( -2.602 13.474 -3.640) 14.198 10.893 ( -5.814 -5.865 -7.021) 10.840 11.194 ( 3.481 0.992 0.157) 3.623 11.302 ( -1.230 -4.043 -5.561) 6.984 11.424 ( 4.094 -4.303 -6.041) 8.472 11.570 ( 6.920 -3.507 3.291) 8.427 11.737 ( 12.023 -4.270 2.235) 12.953 12.255 ( 17.375 5.612 0.870) 18.280 12.394 ( 8.860 2.149 -0.270) 9.121 12.586 ( 11.435 -2.267 3.934) 12.303 12.608 ( 3.882 -2.207 3.745) 5.828 13.461 ( -17.520 -2.853 4.441) 18.298 13.561 ( -12.159 -5.775 0.652) 13.476 13.833 ( -15.573 2.864 0.750) 15.852 14.011 ( -21.221 -4.837 0.145) 21.766 22.109 ( 0.327 4.644 -4.024) 6.154 22.367 ( 0.424 7.735 -6.505) 10.115 22.411 ( -1.599 -0.101 -3.539) 3.885 22.718 ( -0.180 2.266 -5.319) 5.784 22.969 ( -1.352 1.281 0.215) 1.874 23.102 ( 2.194 6.229 3.479) 7.464 23.283 ( 5.437 -9.825 -1.994) 11.405 23.431 ( 0.072 -2.654 0.334) 2.676 23.675 ( 3.580 1.035 2.785) 4.652 23.751 ( 2.456 -2.359 5.855) 6.773 23.944 ( 2.966 5.022 -4.303) 7.248 24.143 ( 8.071 -1.693 0.598) 8.268 24.270 ( -0.221 -0.289 -2.784) 2.808 24.344 ( 4.653 -2.530 7.341) 9.052 24.772 ( -13.717 2.735 -0.469) 13.995 25.066 ( -6.607 -3.194 3.689) 8.213 ======================= Grid point 153 (84/128) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 2.542 10.587 1.300) 10.966 1.592 ( -0.111 -3.662 -4.576) 5.861 2.115 ( -2.612 13.366 15.058) 20.303 2.346 ( -5.405 -8.426 9.165) 13.573 2.532 ( 9.308 0.041 5.614) 10.870 2.580 ( 5.151 -3.502 2.022) 6.549 2.833 ( 0.727 9.322 -3.616) 10.025 2.906 ( -2.373 7.737 -1.727) 8.275 2.997 ( -0.478 -0.581 -1.624) 1.790 3.085 ( 2.976 -13.863 3.509) 14.607 3.433 ( -0.520 7.795 0.597) 7.835 3.539 ( -1.954 2.950 -3.067) 4.683 3.704 ( 4.019 8.834 9.405) 13.515 3.810 ( 3.197 0.684 5.704) 6.575 4.043 ( 1.824 -5.913 7.098) 9.416 4.061 ( 1.535 -5.717 -3.474) 6.864 4.300 ( -7.336 4.229 9.586) 12.790 4.406 ( -5.515 -5.647 8.565) 11.648 4.690 ( -4.632 7.699 2.025) 9.211 4.846 ( -3.322 -3.637 0.817) 4.994 4.906 ( -3.645 -1.917 5.310) 6.720 4.926 ( -3.982 -6.273 7.685) 10.689 5.183 ( 5.460 14.860 -0.367) 15.835 5.409 ( -4.839 -0.460 -4.797) 6.829 5.535 ( 1.623 -5.002 -9.162) 10.564 5.618 ( 9.115 -12.538 -10.089) 18.495 6.066 ( -3.646 3.727 2.276) 5.689 6.122 ( 0.240 -1.390 0.580) 1.525 6.170 ( 1.999 6.637 0.520) 6.951 6.282 ( 4.152 -4.113 -0.428) 5.860 6.442 ( -0.517 1.008 0.437) 1.214 6.470 ( 0.186 -1.597 -1.407) 2.136 6.953 ( -0.447 3.064 -3.905) 4.984 7.021 ( 1.701 -2.911 -2.776) 4.367 7.291 ( 0.672 3.025 0.747) 3.187 7.389 ( 4.650 -5.859 -0.692) 7.512 8.596 ( 1.207 2.185 7.397) 7.807 8.673 ( 1.662 -5.187 5.645) 7.844 9.323 ( 3.771 6.415 -9.425) 12.008 9.416 ( 3.844 -2.824 -9.518) 10.646 10.374 ( -0.262 12.766 -2.341) 12.982 10.601 ( -2.996 -8.122 -4.648) 9.825 10.735 ( -4.777 12.350 -3.181) 13.618 11.009 ( -3.920 -13.162 -5.538) 14.808 11.260 ( 1.721 2.079 -3.521) 4.436 11.309 ( 0.641 -2.580 -5.725) 6.312 11.666 ( 3.620 2.757 -0.511) 4.579 11.758 ( 4.264 -5.755 -2.182) 7.487 12.465 ( -7.100 1.958 3.261) 8.055 12.494 ( -6.867 -0.880 2.343) 7.309 12.745 ( 12.049 2.138 1.708) 12.356 12.786 ( 13.864 -1.865 0.024) 13.989 13.257 ( -15.799 1.434 7.335) 17.478 13.311 ( -12.791 -4.113 6.568) 14.955 13.724 ( 0.955 1.336 -0.777) 1.816 13.749 ( 0.612 -1.254 -1.672) 2.177 22.166 ( -1.064 5.496 -1.114) 5.708 22.279 ( -1.494 -5.675 0.439) 5.884 22.441 ( -2.048 8.963 -10.057) 13.626 22.580 ( -2.288 -4.974 -8.683) 10.265 23.003 ( -0.858 2.690 1.525) 3.209 23.069 ( -3.797 -3.254 -0.709) 5.051 23.340 ( 3.329 1.480 3.167) 4.827 23.390 ( 0.751 -3.005 2.125) 3.756 23.780 ( -0.443 1.999 2.166) 2.981 23.796 ( 0.403 0.449 2.327) 2.404 24.014 ( 2.300 3.914 -5.742) 7.320 24.092 ( 3.036 -3.742 -7.473) 8.892 24.373 ( 2.301 5.083 7.043) 8.986 24.483 ( 4.066 -4.974 8.240) 10.448 24.746 ( -4.159 7.290 2.084) 8.647 24.914 ( 0.536 -8.700 0.815) 8.754 ======================= Grid point 154 (85/128) ======================= q-point: ( 0.11 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 20.700 5.504 0.580) 21.427 1.713 ( 19.574 2.081 -1.748) 19.762 2.245 ( -0.618 9.759 11.247) 14.903 2.390 ( -1.166 -4.996 7.622) 9.188 2.632 ( 2.272 3.056 -1.795) 4.209 2.702 ( 3.838 -3.176 -1.773) 5.288 2.816 ( 3.199 10.985 -2.876) 11.797 2.980 ( 12.344 -1.624 -5.430) 13.582 3.111 ( 10.535 -3.004 7.141) 13.077 3.207 ( 4.811 -12.978 4.753) 14.635 3.400 ( 0.243 5.678 -3.690) 6.776 3.483 ( 0.019 1.028 -2.979) 3.152 3.860 ( -0.615 11.069 7.652) 13.471 3.960 ( 5.929 3.816 4.557) 8.395 4.032 ( 0.531 1.549 -4.179) 4.488 4.112 ( -2.204 -5.619 2.664) 6.597 4.322 ( -4.433 1.690 10.066) 11.128 4.404 ( -6.268 -5.465 7.765) 11.378 4.649 ( -5.465 3.223 6.996) 9.444 4.803 ( -3.150 -6.678 1.542) 7.543 4.924 ( 0.278 -1.132 4.686) 4.829 4.995 ( 1.935 -5.714 7.227) 9.414 5.239 ( 1.805 7.577 -0.724) 7.823 5.310 ( -0.813 2.015 -2.264) 3.138 5.473 ( 4.512 0.353 -8.768) 9.867 5.623 ( 5.473 -10.134 -9.556) 14.966 6.018 ( -4.000 5.736 0.415) 7.005 6.117 ( -1.751 -3.697 0.832) 4.174 6.230 ( 3.966 7.896 0.540) 8.853 6.351 ( 4.397 -4.195 -2.297) 6.497 6.430 ( 1.318 2.795 -1.146) 3.295 6.500 ( 4.906 -4.111 -0.575) 6.427 6.899 ( -1.429 3.948 -2.642) 4.961 6.997 ( -0.643 -5.306 -2.684) 5.981 7.340 ( 4.787 6.822 -0.210) 8.336 7.489 ( 8.893 -7.780 -2.441) 12.065 8.693 ( 0.283 1.671 6.432) 6.651 8.747 ( 0.175 -3.379 3.968) 5.215 9.248 ( 0.979 6.794 -9.799) 11.964 9.349 ( 1.806 -3.237 -9.608) 10.298 10.371 ( 1.007 11.016 1.153) 11.122 10.482 ( -1.782 6.248 -5.825) 8.726 10.685 ( -3.988 -1.387 5.310) 6.784 10.871 ( -5.017 -12.873 -4.519) 14.537 11.234 ( 0.255 0.529 -5.076) 5.110 11.245 ( 0.141 -1.218 -3.643) 3.844 11.681 ( -1.406 2.023 0.260) 2.478 11.750 ( -0.876 -4.443 -2.657) 5.250 12.298 ( -14.452 1.225 1.313) 14.563 12.313 ( -15.232 -0.306 1.329) 15.293 12.741 ( -13.380 3.300 1.345) 13.846 12.811 ( -14.773 -3.678 0.703) 15.240 13.265 ( 10.920 2.351 4.953) 12.219 13.341 ( 8.821 -5.180 4.890) 11.338 13.878 ( 14.074 1.418 1.178) 14.194 13.902 ( 15.096 -1.087 0.318) 15.139 22.141 ( -1.283 6.158 0.141) 6.292 22.260 ( -1.688 -4.801 0.712) 5.138 22.325 ( -0.486 7.183 -4.985) 8.757 22.464 ( -0.986 -6.040 -5.479) 8.214 22.960 ( -6.459 0.456 0.135) 6.476 22.972 ( -6.491 -0.846 1.459) 6.707 23.413 ( 2.523 2.438 1.666) 3.884 23.454 ( 2.128 -1.580 1.985) 3.311 23.764 ( -1.885 3.107 -0.183) 3.639 23.811 ( -0.430 -0.898 0.632) 1.179 23.986 ( 1.159 3.157 -3.347) 4.745 24.066 ( 3.272 -4.778 -4.873) 7.568 24.403 ( -6.378 5.935 3.969) 9.574 24.515 ( -7.480 -4.864 3.672) 9.649 24.809 ( 8.226 11.716 1.976) 14.451 25.061 ( 13.256 -12.850 0.110) 18.462 ======================= Grid point 155 (86/128) ======================= q-point: ( 0.22 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 19.891 6.642 1.748) 21.043 2.116 ( 23.089 -1.100 2.053) 23.206 2.374 ( 6.097 6.247 3.568) 9.430 2.457 ( 2.277 -1.389 1.200) 2.925 2.646 ( 1.821 3.507 -1.369) 4.182 2.724 ( 2.437 1.859 -0.953) 3.210 2.880 ( 6.560 6.298 1.368) 9.196 3.081 ( 8.003 -8.060 -6.226) 12.953 3.258 ( 2.540 3.086 -4.618) 6.107 3.340 ( 5.362 -7.189 -0.154) 8.970 3.439 ( 4.153 -1.921 3.375) 5.686 3.508 ( 7.482 -2.131 0.081) 7.780 3.863 ( -3.621 10.441 -0.191) 11.053 3.994 ( 1.668 5.350 -3.992) 6.880 4.017 ( -3.489 -2.297 -2.955) 5.116 4.034 ( -2.699 0.234 -2.915) 3.980 4.360 ( -4.343 -1.120 5.380) 7.005 4.397 ( -4.065 -1.829 8.404) 9.514 4.732 ( -0.493 0.916 12.301) 12.345 4.808 ( 0.729 -2.207 4.151) 4.757 4.980 ( 3.827 5.669 -2.660) 7.339 5.154 ( 6.992 -9.095 2.741) 11.794 5.292 ( 1.126 -0.149 4.041) 4.197 5.336 ( 4.401 -2.406 3.184) 5.941 5.475 ( 4.776 3.841 -1.767) 6.378 5.586 ( 1.725 -5.362 -4.280) 7.074 5.968 ( -0.248 6.248 -2.678) 6.803 6.091 ( -2.210 -5.498 -0.055) 5.926 6.297 ( 3.126 7.633 0.100) 8.249 6.386 ( 4.216 -1.700 -2.035) 4.980 6.448 ( 2.398 5.496 -2.565) 6.522 6.566 ( 4.425 -5.424 -3.517) 7.834 6.851 ( -1.472 2.627 -0.481) 3.050 6.941 ( -2.005 -5.343 -2.527) 6.241 7.426 ( 6.625 8.181 -1.904) 10.698 7.604 ( 8.737 -9.268 -3.302) 13.158 8.739 ( -1.258 0.945 0.530) 1.661 8.771 ( -1.576 -1.991 1.784) 3.103 9.127 ( -1.215 7.156 -8.308) 11.032 9.246 ( -0.205 -4.590 -8.852) 9.973 10.397 ( 0.410 12.114 -0.973) 12.160 10.466 ( 1.736 7.683 5.047) 9.355 10.716 ( -3.729 -6.803 10.003) 12.659 10.755 ( -5.139 -10.098 0.087) 11.331 11.170 ( -0.799 2.131 -3.520) 4.192 11.217 ( 1.089 -2.851 -3.604) 4.723 11.631 ( -5.086 2.341 0.752) 5.650 11.687 ( -2.851 -3.208 -1.952) 4.715 12.064 ( -12.558 0.144 -2.002) 12.717 12.066 ( -13.934 -0.012 -1.489) 14.014 12.510 ( -15.068 1.008 2.968) 15.391 12.539 ( -17.383 -1.904 2.255) 17.631 13.531 ( 13.607 1.293 2.517) 13.898 13.589 ( 13.386 -4.353 2.709) 14.334 14.138 ( 13.298 1.903 2.671) 13.696 14.170 ( 14.280 -1.333 1.903) 14.468 22.128 ( -1.091 6.485 1.058) 6.661 22.249 ( -1.398 -4.143 1.813) 4.734 22.297 ( 0.713 5.549 -0.503) 5.617 22.423 ( 0.688 -5.660 -0.820) 5.760 22.847 ( -7.091 1.115 1.268) 7.290 22.882 ( -6.798 -2.331 1.975) 7.453 23.447 ( -1.963 2.896 -1.191) 3.696 23.464 ( -0.956 1.108 0.795) 1.665 23.735 ( -0.451 4.779 -1.104) 4.926 23.823 ( 2.393 -2.383 -0.559) 3.423 23.974 ( 0.503 2.682 -1.031) 2.917 24.076 ( 3.345 -7.576 -3.519) 8.998 24.330 ( -4.771 3.871 0.718) 6.186 24.404 ( -7.039 -3.547 0.137) 7.883 24.984 ( 8.940 14.080 1.326) 16.731 25.261 ( 10.969 -13.249 -1.398) 17.257 ======================= Grid point 156 (87/128) ======================= q-point: ( 0.33 0.43 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 2.527 6.483 -2.127) 7.276 2.380 ( 5.461 -6.192 0.630) 8.280 2.552 ( 11.287 4.713 -0.422) 12.239 2.586 ( 13.334 0.945 0.780) 13.390 2.657 ( 3.647 8.642 -0.968) 9.429 2.766 ( 0.774 1.268 2.593) 2.989 3.003 ( 6.495 6.380 -4.644) 10.220 3.147 ( 8.090 -6.138 -1.334) 10.242 3.248 ( 1.717 1.765 -3.422) 4.216 3.323 ( -0.110 -8.102 -4.246) 9.148 3.542 ( 0.770 2.051 2.913) 3.645 3.643 ( 5.333 -3.835 1.005) 6.645 3.805 ( -1.184 6.421 -0.213) 6.533 3.860 ( -4.663 1.507 -3.342) 5.932 3.989 ( 3.327 -2.313 -5.493) 6.826 4.005 ( 3.454 -1.973 -1.068) 4.119 4.348 ( -2.990 3.501 4.814) 6.661 4.469 ( -1.211 -3.712 8.180) 9.064 4.805 ( -1.217 3.653 3.311) 5.079 4.918 ( 0.895 -3.536 5.159) 6.319 5.012 ( 4.722 11.750 -3.217) 13.066 5.214 ( 1.991 -5.480 -4.262) 7.222 5.336 ( 2.419 -0.321 -0.588) 2.510 5.442 ( 0.301 -8.907 5.438) 10.440 5.591 ( 4.259 3.352 2.051) 5.795 5.651 ( 5.733 -2.915 3.381) 7.266 5.916 ( -0.944 5.849 -4.951) 7.721 6.044 ( -2.085 -6.719 -0.018) 7.035 6.321 ( 0.318 9.091 -0.652) 9.119 6.431 ( 4.075 -1.070 -3.041) 5.196 6.455 ( 3.029 5.967 -2.767) 7.241 6.550 ( 2.205 -2.070 -6.612) 7.271 6.847 ( -1.178 -1.388 1.607) 2.429 6.902 ( 0.851 -5.481 0.293) 5.554 7.494 ( 5.244 8.832 -3.664) 10.906 7.684 ( 6.118 -9.716 -4.285) 12.255 8.636 ( -5.409 3.626 -7.429) 9.879 8.715 ( -3.213 -4.436 -4.808) 7.288 9.066 ( 1.204 5.088 -0.995) 5.322 9.165 ( 1.261 -4.528 -4.543) 6.537 10.414 ( 1.465 13.650 1.728) 13.836 10.580 ( 0.295 5.434 9.019) 10.534 10.712 ( -4.229 -6.268 5.442) 9.316 10.794 ( -2.447 -8.798 10.746) 14.102 11.133 ( 0.515 3.008 -1.801) 3.544 11.195 ( 1.079 -2.990 -2.988) 4.362 11.553 ( -5.349 3.409 1.577) 6.536 11.621 ( -2.173 -3.037 -1.752) 4.125 11.833 ( -9.269 0.112 -4.604) 10.350 11.858 ( -8.324 -2.103 -3.271) 9.188 12.321 ( -11.669 0.909 2.118) 11.895 12.350 ( -8.902 -1.863 3.189) 9.638 13.755 ( 9.393 1.516 2.850) 9.932 13.817 ( 9.881 -4.415 2.711) 11.157 14.351 ( 7.737 2.268 3.062) 8.624 14.388 ( 8.463 -1.514 2.407) 8.928 22.137 ( 0.027 5.783 1.969) 6.109 22.246 ( -1.812 -5.242 2.200) 5.966 22.339 ( 2.145 7.238 3.268) 8.226 22.459 ( 1.159 -4.480 3.660) 5.900 22.770 ( -5.261 0.890 3.096) 6.169 22.807 ( -5.293 -2.801 2.368) 6.439 23.353 ( -4.023 4.236 -3.462) 6.790 23.429 ( -2.535 -2.735 -2.201) 4.330 23.720 ( 1.157 9.863 -3.152) 10.419 23.868 ( 3.110 -2.673 -0.264) 4.110 23.978 ( 0.163 0.979 0.939) 1.366 24.060 ( 0.241 -7.863 -4.990) 9.316 24.282 ( -1.060 1.261 -0.348) 1.684 24.318 ( -2.770 -1.905 -0.573) 3.411 25.113 ( 5.311 13.636 0.366) 14.638 25.377 ( 6.526 -12.324 -3.282) 14.326 ======================= Grid point 157 (88/128) ======================= q-point: (-0.56 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -5.978 8.805 -2.013) 10.831 2.366 ( -4.999 -10.048 0.070) 11.223 2.650 ( 2.259 11.109 -2.042) 11.519 2.704 ( 1.866 4.259 -3.962) 6.109 2.809 ( 11.908 -0.511 -2.628) 12.205 2.851 ( 6.703 -1.659 3.255) 7.634 3.010 ( 2.000 11.132 -3.261) 11.771 3.189 ( -1.050 -6.266 -4.553) 7.817 3.223 ( 1.667 2.248 -4.703) 5.473 3.298 ( 1.796 -4.862 -1.903) 5.521 3.562 ( 1.115 1.572 1.085) 2.211 3.667 ( -3.874 -2.949 6.426) 8.062 3.823 ( 1.448 -0.747 -0.683) 1.767 3.859 ( 0.037 -0.615 4.996) 5.034 4.033 ( 7.826 2.300 -1.858) 8.366 4.115 ( 6.952 -3.645 2.653) 8.286 4.381 ( -0.982 4.155 5.635) 7.070 4.525 ( -2.317 -4.919 5.491) 7.727 4.775 ( -4.580 6.097 -0.757) 7.664 4.924 ( -3.852 -5.577 0.611) 6.806 4.985 ( -5.687 10.397 -3.251) 12.288 5.174 ( -3.763 -6.854 -2.251) 8.137 5.291 ( -2.619 6.853 -4.452) 8.581 5.457 ( -2.753 -7.143 -2.890) 8.183 5.627 ( 1.240 4.920 3.070) 5.931 5.757 ( 5.403 -6.443 -0.050) 8.408 5.880 ( 0.621 7.169 0.969) 7.261 6.060 ( 1.761 -9.591 0.813) 9.785 6.292 ( -1.417 9.829 -1.879) 10.106 6.433 ( 0.678 -3.028 -4.099) 5.141 6.464 ( 2.949 3.513 -6.005) 7.557 6.526 ( 5.123 -0.931 -6.500) 8.328 6.863 ( 0.907 2.864 3.815) 4.856 6.973 ( 4.119 -7.544 3.108) 9.140 7.498 ( 1.341 9.377 -5.040) 10.730 7.690 ( 1.933 -9.261 -6.127) 11.272 8.445 ( -4.534 5.938 -8.139) 11.049 8.585 ( -2.138 -7.948 -7.571) 11.183 9.113 ( 3.619 3.470 1.069) 5.127 9.183 ( 4.553 -3.242 -1.008) 5.680 10.485 ( 2.441 14.374 4.270) 15.192 10.671 ( -2.300 9.850 7.833) 12.793 10.735 ( -1.951 -7.893 6.991) 10.723 10.881 ( -0.316 -10.373 7.296) 12.686 11.143 ( 0.374 2.059 0.953) 2.299 11.180 ( 0.374 -1.163 -0.476) 1.311 11.516 ( -0.885 2.798 1.540) 3.314 11.584 ( 1.191 -2.739 -2.677) 4.011 11.666 ( -4.517 -0.149 -3.535) 5.737 11.713 ( -3.461 -4.004 -4.701) 7.079 12.207 ( -5.321 3.953 2.313) 7.021 12.290 ( -2.936 -4.165 2.520) 5.685 13.904 ( 3.515 1.798 3.775) 5.463 13.973 ( 4.337 -4.970 3.299) 7.375 14.458 ( 0.832 2.403 2.922) 3.874 14.497 ( 1.285 -1.509 2.189) 2.953 22.175 ( 1.069 4.365 2.634) 5.209 22.248 ( -1.006 -2.905 1.939) 3.635 22.434 ( 2.426 6.956 6.009) 9.507 22.540 ( 0.943 -2.580 6.524) 7.079 22.747 ( -3.096 -0.172 4.014) 5.073 22.768 ( -2.940 -2.418 2.652) 4.639 23.265 ( -0.548 3.307 -3.991) 5.212 23.354 ( -1.081 -5.025 -4.087) 6.567 23.675 ( -0.214 12.458 -5.999) 13.829 23.888 ( 1.012 -6.903 -5.128) 8.659 23.988 ( -1.039 0.309 -1.011) 1.483 24.008 ( 0.404 -1.806 1.936) 2.678 24.273 ( 0.090 0.016 -0.446) 0.456 24.293 ( 0.212 -1.929 -0.771) 2.088 25.168 ( 1.054 11.611 0.115) 11.659 25.400 ( 2.214 -11.090 -4.700) 12.247 ======================= Grid point 158 (89/128) ======================= q-point: (-0.44 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -10.346 11.547 1.775) 15.605 2.267 ( -7.701 -11.745 1.717) 14.150 2.563 ( -8.839 8.907 -3.226) 12.956 2.633 ( -5.863 1.636 -1.426) 6.252 2.908 ( 6.057 6.095 -7.841) 11.633 2.965 ( 4.934 5.261 -1.648) 7.399 3.006 ( 4.422 -3.287 -4.495) 7.111 3.107 ( -0.407 -5.201 -5.596) 7.651 3.233 ( 3.541 6.139 -0.601) 7.113 3.298 ( 1.288 -1.035 -0.303) 1.680 3.587 ( -1.536 0.690 2.185) 2.758 3.738 ( -2.834 -10.954 2.762) 11.647 3.781 ( -5.308 3.247 7.108) 9.447 3.883 ( -5.910 -3.534 4.058) 7.993 4.134 ( 2.359 7.062 1.053) 7.520 4.214 ( 0.708 0.049 0.440) 0.835 4.435 ( -2.449 1.489 6.722) 7.307 4.514 ( -5.833 0.630 3.346) 6.754 4.646 ( -7.137 2.523 -2.896) 8.105 4.731 ( -17.877 3.892 -0.014) 18.296 4.844 ( -4.750 -2.830 -1.002) 5.619 4.954 ( -13.775 -8.925 -0.030) 16.414 5.341 ( 6.455 5.415 2.141) 8.693 5.422 ( 5.036 0.748 -2.962) 5.890 5.634 ( 0.085 9.176 -4.381) 10.168 5.874 ( 7.287 -9.718 -1.089) 12.195 5.923 ( -0.303 4.006 5.266) 6.623 6.080 ( -0.806 -9.551 2.761) 9.975 6.268 ( 1.469 5.620 -1.807) 6.084 6.366 ( -1.732 -0.776 -5.163) 5.501 6.397 ( -0.203 2.319 -7.580) 7.930 6.497 ( 1.731 -4.016 -8.898) 9.914 6.980 ( 5.479 5.167 5.142) 9.119 7.097 ( 6.038 -6.243 2.749) 9.110 7.417 ( -3.238 9.187 -5.193) 11.039 7.600 ( -2.215 -8.408 -7.818) 11.693 8.322 ( -0.872 6.321 -4.572) 7.850 8.485 ( 0.215 -9.575 -6.218) 11.419 9.198 ( 5.835 4.125 -0.246) 7.150 9.274 ( 7.121 -3.159 -0.778) 7.829 10.572 ( -0.115 13.449 4.284) 14.115 10.696 ( 1.236 12.457 0.492) 12.528 10.812 ( -1.245 -6.605 8.965) 11.205 10.980 ( 5.749 -11.825 2.950) 13.475 11.131 ( -3.330 4.321 3.051) 6.250 11.221 ( 1.446 -4.381 2.469) 5.233 11.528 ( 1.070 0.974 -4.223) 4.465 11.567 ( 0.387 -2.531 -5.531) 6.095 11.618 ( 3.440 1.897 0.437) 3.953 11.689 ( 6.354 -4.370 0.509) 7.728 12.196 ( -0.177 5.221 2.765) 5.911 12.301 ( 1.114 -5.091 1.239) 5.357 13.952 ( -3.622 1.757 4.037) 5.701 14.024 ( -2.945 -5.395 2.599) 6.673 14.453 ( -5.654 2.119 3.217) 6.842 14.489 ( -5.003 -1.453 2.197) 5.654 22.227 ( 1.000 2.792 2.527) 3.896 22.259 ( 0.213 -0.630 1.178) 1.353 22.566 ( 3.801 6.585 7.622) 10.766 22.635 ( 0.007 1.849 6.487) 6.745 22.758 ( 0.939 -1.993 2.677) 3.467 22.785 ( -0.436 -3.217 4.293) 5.383 23.238 ( 2.335 1.740 -3.801) 4.788 23.309 ( 2.412 -4.643 -5.418) 7.531 23.580 ( -2.123 10.633 -5.217) 12.033 23.768 ( -2.856 -7.519 -9.229) 12.242 24.005 ( 0.412 2.453 2.428) 3.476 24.041 ( 0.061 -1.101 1.943) 2.234 24.271 ( 0.528 0.307 -0.743) 0.962 24.292 ( 1.053 -1.673 -1.282) 2.356 25.157 ( -2.993 8.528 1.091) 9.103 25.343 ( -1.758 -9.625 -5.068) 11.019 ======================= Grid point 159 (90/128) ======================= q-point: (-0.33 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -11.767 13.505 7.169) 19.294 2.168 ( -8.666 -12.199 4.893) 15.743 2.305 ( -16.308 8.940 -4.547) 19.145 2.459 ( -13.505 -4.319 -1.128) 14.224 2.895 ( -1.449 9.290 -0.066) 9.402 2.932 ( 3.261 2.152 -9.395) 10.175 3.012 ( -0.630 -2.997 -7.488) 8.090 3.053 ( 0.793 -4.232 -4.752) 6.413 3.286 ( 0.920 8.921 1.397) 9.077 3.335 ( 3.715 0.425 -2.331) 4.406 3.507 ( -11.023 2.016 0.563) 11.220 3.589 ( -9.601 -4.373 0.887) 10.588 3.716 ( -14.070 3.143 2.987) 14.723 3.829 ( -9.568 -8.128 7.837) 14.800 4.099 ( -5.570 5.955 -4.826) 9.475 4.164 ( -2.252 3.425 1.644) 4.416 4.393 ( -7.223 5.841 2.036) 9.510 4.472 ( -4.807 -0.946 3.342) 5.930 4.540 ( -4.058 -1.588 4.176) 6.035 4.573 ( -6.013 -4.320 7.505) 10.543 4.801 ( -4.267 -0.781 5.638) 7.113 4.827 ( -6.026 -5.467 6.622) 10.491 5.394 ( -1.574 11.499 -2.940) 11.973 5.531 ( 8.729 3.283 -2.205) 9.584 5.605 ( 2.827 2.501 -2.386) 4.465 5.892 ( 3.107 -16.652 -9.035) 19.198 6.009 ( 1.204 6.500 7.168) 9.750 6.146 ( 0.606 -6.470 6.570) 9.241 6.232 ( -2.782 4.625 -5.325) 7.582 6.292 ( 0.705 3.861 -0.763) 3.999 6.322 ( -0.766 -4.350 -3.364) 5.552 6.401 ( 0.602 -5.177 -7.975) 9.527 7.111 ( 4.670 4.386 0.053) 6.407 7.189 ( 4.293 -1.762 -5.673) 7.329 7.306 ( -4.854 5.383 1.402) 7.383 7.457 ( -4.382 -7.464 -4.587) 9.795 8.301 ( 1.766 4.674 -0.364) 5.010 8.444 ( 1.640 -9.076 -2.980) 9.693 9.290 ( 7.222 5.428 -3.033) 9.530 9.380 ( 7.906 -3.387 -3.015) 9.114 10.552 ( -3.171 12.746 -0.754) 13.156 10.727 ( 0.377 1.257 -0.291) 1.344 10.933 ( 6.772 4.351 4.409) 9.177 11.120 ( 4.568 -0.939 -1.171) 4.809 11.159 ( 3.669 -4.203 6.766) 8.770 11.268 ( 0.147 -6.842 3.701) 7.781 11.470 ( -1.437 -0.568 -5.865) 6.065 11.477 ( 1.114 -1.039 -6.464) 6.641 11.788 ( 13.412 4.439 1.560) 14.213 11.879 ( 13.493 -4.527 2.092) 14.385 12.256 ( 3.006 4.348 3.139) 6.148 12.349 ( 3.593 -4.686 0.345) 5.915 13.874 ( -11.054 0.928 2.987) 11.488 13.928 ( -10.839 -4.529 0.574) 11.761 14.351 ( -11.451 2.291 3.156) 12.097 14.398 ( -10.355 -2.596 3.503) 11.236 22.247 ( -0.424 2.983 0.348) 3.033 22.290 ( 1.218 -1.372 1.178) 2.180 22.672 ( 0.698 7.442 0.275) 7.480 22.738 ( 4.467 4.492 7.784) 10.037 22.847 ( 3.816 -3.620 2.771) 5.945 22.885 ( 5.064 -4.523 7.695) 10.263 23.224 ( 1.822 2.523 -5.740) 6.529 23.273 ( 4.041 -1.086 -9.336) 10.230 23.525 ( -1.325 3.369 2.133) 4.202 23.615 ( -3.072 -4.507 -6.063) 8.155 24.033 ( -0.099 1.744 1.464) 2.279 24.050 ( -0.376 0.223 0.212) 0.486 24.271 ( 0.739 0.682 -1.138) 1.519 24.295 ( 1.296 -1.434 -1.762) 2.615 25.103 ( -6.439 4.825 2.993) 8.585 25.226 ( -5.583 -7.385 -3.909) 10.049 ======================= Grid point 160 (91/128) ======================= q-point: (-0.22 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -14.970 14.031 10.432) 23.018 1.955 ( -17.085 13.116 0.583) 21.546 2.098 ( -13.170 -14.069 5.476) 20.035 2.199 ( -10.962 -10.481 1.063) 15.203 2.785 ( -10.686 5.478 -4.305) 12.757 2.810 ( -9.279 0.562 -9.174) 13.060 2.919 ( -2.581 -0.132 -6.316) 6.825 2.935 ( -0.900 1.231 1.581) 2.197 3.228 ( -6.680 7.717 -0.667) 10.228 3.318 ( -6.379 -4.201 -4.392) 8.811 3.391 ( -1.562 9.850 2.568) 10.298 3.507 ( -4.933 0.522 6.765) 8.389 3.599 ( -4.856 6.558 5.068) 9.606 3.744 ( -7.609 -8.463 6.009) 12.869 3.942 ( -3.322 5.659 -5.645) 8.656 4.142 ( -0.115 -9.026 -3.824) 9.803 4.347 ( -4.238 2.315 5.329) 7.191 4.398 ( -8.778 -2.275 5.813) 10.771 4.616 ( 2.813 2.797 7.889) 8.831 4.660 ( 1.729 -0.577 9.867) 10.034 4.812 ( -3.572 3.165 6.543) 8.099 4.874 ( -0.898 -4.386 7.614) 8.833 5.275 ( -4.877 14.533 -5.661) 16.341 5.583 ( 3.085 -4.386 -5.196) 7.467 5.613 ( -0.774 -1.089 -0.880) 1.600 5.789 ( -1.116 -13.428 -9.528) 16.503 6.082 ( 0.082 5.581 0.521) 5.606 6.144 ( -1.676 5.618 1.765) 6.123 6.208 ( -2.085 -3.636 -0.202) 4.196 6.282 ( 0.191 -4.117 -2.462) 4.800 6.323 ( 3.504 1.317 1.398) 3.995 6.394 ( 3.119 -5.061 2.089) 6.301 7.079 ( -0.233 3.181 -7.417) 8.074 7.128 ( 0.595 0.004 -8.813) 8.834 7.282 ( -2.261 2.720 2.015) 4.070 7.396 ( -3.733 -6.427 3.810) 8.353 8.365 ( 3.245 2.742 3.664) 5.610 8.473 ( 2.965 -7.708 1.588) 8.409 9.350 ( 6.831 6.237 -6.532) 11.324 9.447 ( 6.842 -3.336 -6.331) 9.900 10.485 ( -1.861 13.361 -2.982) 13.816 10.705 ( -1.777 -6.004 -0.353) 6.272 11.049 ( 4.448 6.599 -7.351) 10.833 11.147 ( 0.537 0.284 -0.248) 0.656 11.276 ( 0.896 -2.772 3.469) 4.530 11.337 ( 1.486 -6.609 1.817) 7.014 11.418 ( 5.046 2.692 -2.756) 6.349 11.481 ( 9.718 -3.132 -3.808) 10.898 12.064 ( 16.983 4.942 1.415) 17.744 12.155 ( 17.204 -3.829 0.371) 17.629 12.371 ( 5.494 2.337 4.477) 7.462 12.433 ( 5.338 -3.531 1.725) 6.629 13.673 ( -16.011 -0.024 1.950) 16.130 13.706 ( -15.438 -3.317 0.309) 15.793 14.154 ( -16.411 2.923 2.441) 16.847 14.217 ( -16.570 -3.756 2.987) 17.251 22.232 ( -0.714 4.024 -1.112) 4.236 22.309 ( -0.126 -3.647 0.328) 3.664 22.680 ( 2.495 9.818 -4.393) 11.042 22.825 ( 0.700 -1.901 -2.075) 2.899 22.958 ( 2.903 0.666 1.470) 3.321 23.037 ( 4.169 -5.305 1.796) 6.982 23.172 ( 2.886 5.670 -3.767) 7.394 23.295 ( 6.015 -5.620 -0.317) 8.238 23.549 ( 2.506 2.844 2.773) 4.697 23.601 ( 1.975 -2.261 4.458) 5.375 24.034 ( 1.247 2.420 -2.118) 3.449 24.055 ( 0.970 0.157 0.318) 1.033 24.266 ( 0.048 0.295 -0.556) 0.631 24.285 ( 0.376 -1.405 -2.234) 2.666 25.010 ( -9.596 2.421 2.739) 10.269 25.082 ( -8.269 -4.633 0.333) 9.485 ======================= Grid point 161 (92/128) ======================= q-point: (-0.11 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -17.223 13.548 3.581) 22.204 1.776 ( -15.223 -7.193 -0.694) 16.851 1.977 ( -4.831 11.607 14.672) 19.322 2.236 ( 0.884 -12.725 10.762) 16.689 2.527 ( -10.674 2.425 -3.245) 11.417 2.575 ( -5.821 -0.768 -2.370) 6.332 2.854 ( 0.651 5.545 -3.340) 6.506 2.974 ( -2.084 -2.695 6.351) 7.207 3.086 ( -11.265 7.225 1.596) 13.477 3.114 ( -4.285 -1.101 -8.645) 9.711 3.415 ( -0.332 8.339 2.618) 8.747 3.552 ( 0.831 0.238 4.881) 4.957 3.613 ( -1.373 11.151 1.711) 11.364 3.727 ( -1.827 -5.804 4.927) 7.830 3.923 ( 2.727 -0.295 3.409) 4.376 4.091 ( 1.193 -11.848 -5.203) 12.995 4.325 ( -8.037 2.187 7.658) 11.314 4.379 ( -4.480 -2.898 8.654) 10.167 4.719 ( -2.168 8.447 4.757) 9.934 4.825 ( 3.756 1.012 7.238) 8.217 4.845 ( -1.006 2.628 5.797) 6.444 4.930 ( -2.592 -7.058 4.427) 8.726 5.152 ( -2.032 13.192 -2.184) 13.526 5.539 ( -2.895 -14.674 -3.917) 15.461 5.565 ( 5.331 -1.876 -8.863) 10.511 5.662 ( -2.080 -5.465 -6.281) 8.581 6.087 ( -1.035 4.516 1.585) 4.897 6.127 ( -0.820 6.510 -1.289) 6.687 6.161 ( -3.355 -1.820 2.113) 4.362 6.255 ( 0.957 -5.401 -1.839) 5.785 6.415 ( 2.694 1.722 1.815) 3.677 6.465 ( 1.744 -2.846 1.032) 3.494 7.010 ( 0.567 1.754 -5.015) 5.343 7.037 ( 0.848 0.101 -5.882) 5.944 7.278 ( -0.085 2.096 0.732) 2.222 7.374 ( -3.221 -6.023 2.372) 7.230 8.479 ( 2.719 2.094 6.328) 7.198 8.567 ( 2.921 -6.409 5.019) 8.649 9.357 ( 5.486 6.430 -8.860) 12.245 9.453 ( 5.247 -3.082 -8.812) 10.709 10.422 ( -0.949 13.582 -3.536) 14.067 10.668 ( -2.216 -9.538 -0.551) 9.807 10.912 ( -4.521 10.678 -10.324) 15.525 11.119 ( -2.153 -8.868 -3.377) 9.730 11.272 ( 1.025 2.378 -2.794) 3.809 11.346 ( 1.758 -4.360 -3.641) 5.946 11.565 ( 9.170 2.931 0.186) 9.629 11.647 ( 10.533 -4.641 -0.453) 11.519 12.357 ( 16.302 4.466 0.514) 16.911 12.414 ( 13.051 -0.748 -1.174) 13.125 12.548 ( 8.171 -0.860 5.855) 10.088 12.563 ( 5.044 -1.944 4.847) 7.260 13.435 ( -15.120 0.371 3.344) 15.490 13.472 ( -13.855 -3.206 2.520) 14.443 13.886 ( -16.792 2.540 0.650) 16.995 13.939 ( -18.208 -2.871 0.592) 18.442 22.201 ( -0.935 4.790 -1.646) 5.151 22.299 ( -1.101 -4.990 -0.027) 5.110 22.603 ( -0.860 9.450 -10.806) 14.380 22.730 ( -1.839 -2.491 -9.367) 9.866 22.982 ( 0.598 2.074 0.694) 2.267 23.084 ( 2.753 -7.542 -0.959) 8.086 23.251 ( 2.979 6.179 3.363) 7.640 23.361 ( 0.227 -4.575 2.538) 5.237 23.700 ( 5.006 1.222 4.366) 6.754 23.721 ( 4.543 -1.001 5.098) 6.901 24.034 ( 3.618 3.961 -5.202) 7.472 24.100 ( 6.029 -2.709 -3.985) 7.718 24.272 ( 0.720 0.587 1.729) 1.963 24.297 ( 2.450 -1.936 5.382) 6.222 24.859 ( -10.644 5.462 1.670) 12.080 24.973 ( -8.158 -5.666 3.326) 10.475 ======================= Grid point 189 (93/128) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 7.864 0.000 4.327) 8.976 1.097 ( -12.241 0.000 -8.512) 14.910 1.622 ( -5.707 0.000 20.667) 21.440 2.015 ( 6.227 0.000 -14.595) 15.868 2.536 ( 13.574 0.000 6.910) 15.232 2.602 ( 2.874 0.000 6.318) 6.941 2.699 ( -6.300 0.000 4.930) 8.000 2.743 ( -10.734 0.000 -7.209) 12.931 2.991 ( -9.597 0.000 8.286) 12.679 3.155 ( 5.370 0.000 -7.825) 9.490 3.441 ( 4.095 0.000 9.174) 10.046 3.567 ( 4.035 0.000 -1.438) 4.284 3.925 ( 4.265 0.000 5.799) 7.199 3.980 ( -0.701 0.000 1.801) 1.933 4.057 ( 8.434 0.000 -0.642) 8.459 4.175 ( -5.357 0.000 -6.081) 8.104 4.574 ( -10.710 0.000 -0.911) 10.748 4.632 ( 11.304 0.000 -2.516) 11.580 4.774 ( -1.570 0.000 5.829) 6.037 4.775 ( 3.517 0.000 5.991) 6.947 4.948 ( 2.109 0.000 8.540) 8.796 5.056 ( -3.357 0.000 -0.206) 3.363 5.396 ( -2.842 0.000 3.717) 4.678 5.425 ( 5.508 0.000 7.434) 9.253 5.620 ( 2.273 0.000 -4.251) 4.821 5.683 ( 1.841 0.000 -1.460) 2.349 5.711 ( -5.212 0.000 -1.941) 5.562 5.813 ( -14.030 0.000 -13.798) 19.679 6.132 ( -3.213 0.000 -1.090) 3.392 6.149 ( 7.968 0.000 -4.314) 9.061 6.585 ( 4.623 0.000 1.857) 4.982 6.623 ( -3.002 0.000 -1.978) 3.595 6.983 ( 0.383 0.000 2.553) 2.582 7.001 ( -0.674 0.000 1.464) 1.612 7.332 ( -11.939 0.000 0.223) 11.941 7.406 ( 12.828 0.000 -6.429) 14.348 8.768 ( -0.915 0.000 1.718) 1.946 8.839 ( 4.873 0.000 -5.642) 7.455 9.050 ( -7.222 0.000 11.562) 13.632 9.270 ( 3.556 0.000 -8.026) 8.779 9.797 ( 1.988 0.000 4.729) 5.130 9.948 ( -2.033 0.000 -9.404) 9.621 11.108 ( 1.388 0.000 -0.827) 1.616 11.143 ( -0.382 0.000 -3.936) 3.955 11.182 ( -4.047 0.000 15.897) 16.405 11.551 ( 3.722 0.000 -16.924) 17.328 11.708 ( -3.261 0.000 5.261) 6.190 11.821 ( 3.441 0.000 -6.105) 7.008 12.403 ( -5.284 0.000 2.409) 5.808 12.438 ( 5.455 0.000 -0.822) 5.517 12.789 ( -8.523 0.000 3.692) 9.288 12.853 ( 14.376 0.000 -1.967) 14.510 13.471 ( -19.107 0.000 8.427) 20.883 13.616 ( 12.612 0.000 -4.984) 13.561 13.706 ( 5.740 0.000 0.781) 5.793 13.737 ( -9.089 0.000 -1.977) 9.302 21.824 ( 1.925 0.000 1.661) 2.543 21.883 ( -2.087 0.000 -3.985) 4.498 22.571 ( -1.578 0.000 3.187) 3.556 22.636 ( -0.243 0.000 -2.906) 2.916 22.957 ( 2.840 0.000 2.889) 4.051 23.004 ( -1.159 0.000 -1.248) 1.703 23.515 ( 1.280 0.000 -1.068) 1.667 23.517 ( -0.703 0.000 -0.701) 0.993 23.651 ( 3.032 0.000 -0.211) 3.040 23.652 ( -7.266 0.000 -0.419) 7.278 24.046 ( -10.763 0.000 2.213) 10.988 24.051 ( 6.434 0.000 2.569) 6.928 24.237 ( -0.542 0.000 -1.483) 1.579 24.252 ( 3.650 0.000 -2.098) 4.210 25.071 ( -15.894 0.000 6.631) 17.222 25.183 ( 20.287 0.000 -4.008) 20.679 ======================= Grid point 190 (94/128) ======================= q-point: ( 0.11 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 23.519 0.000 1.614) 23.574 1.452 ( 35.429 0.000 6.288) 35.982 1.814 ( 1.060 0.000 17.648) 17.680 1.943 ( 9.847 0.000 -19.069) 21.462 2.424 ( -9.164 0.000 -11.411) 14.635 2.592 ( -6.049 0.000 -5.593) 8.239 2.793 ( 5.962 0.000 5.200) 7.911 2.903 ( 16.488 0.000 11.146) 19.902 2.993 ( -2.896 0.000 9.669) 10.094 3.212 ( 8.751 0.000 -2.790) 9.185 3.521 ( 1.105 0.000 -0.785) 1.356 3.542 ( 0.738 0.000 -12.662) 12.683 3.882 ( -6.976 0.000 -6.984) 9.871 4.006 ( 0.406 0.000 -1.332) 1.393 4.017 ( 2.570 0.000 -7.597) 8.020 4.248 ( 8.177 0.000 5.087) 9.630 4.398 ( -12.343 0.000 2.869) 12.672 4.686 ( -3.282 0.000 -2.254) 3.982 4.795 ( 5.311 0.000 -4.465) 6.939 4.818 ( -2.082 0.000 -0.780) 2.223 4.996 ( 1.239 0.000 -6.019) 6.146 5.063 ( -0.699 0.000 3.264) 3.338 5.377 ( -1.453 0.000 5.806) 5.985 5.454 ( 0.425 0.000 -3.319) 3.346 5.591 ( 0.527 0.000 -5.655) 5.679 5.631 ( -3.030 0.000 2.857) 4.165 5.712 ( -0.582 0.000 6.931) 6.955 5.861 ( 7.502 0.000 14.110) 15.980 6.097 ( 1.855 0.000 -1.325) 2.279 6.214 ( 4.974 0.000 -3.474) 6.067 6.524 ( -4.892 0.000 -3.000) 5.738 6.627 ( -1.272 0.000 1.205) 1.752 7.020 ( 2.075 0.000 -1.532) 2.579 7.026 ( 2.583 0.000 0.308) 2.601 7.204 ( -5.235 0.000 4.435) 6.861 7.580 ( 14.469 0.000 -4.337) 15.105 8.720 ( -6.079 0.000 0.784) 6.130 8.828 ( 2.383 0.000 -5.633) 6.116 9.106 ( -4.386 0.000 12.686) 13.423 9.243 ( 4.828 0.000 -8.337) 9.635 9.844 ( 1.382 0.000 -6.852) 6.990 9.933 ( 5.193 0.000 7.374) 9.019 11.085 ( -2.090 0.000 -2.049) 2.927 11.106 ( -2.262 0.000 1.753) 2.861 11.305 ( -5.948 0.000 17.122) 18.125 11.376 ( 0.632 0.000 -16.214) 16.227 11.695 ( -5.715 0.000 5.253) 7.762 11.775 ( -1.091 0.000 -5.616) 5.721 12.231 ( -14.726 0.000 -1.960) 14.856 12.350 ( -12.329 0.000 1.074) 12.376 12.645 ( -9.818 0.000 1.729) 9.969 12.865 ( -8.949 0.000 -5.533) 10.522 13.480 ( 7.740 0.000 7.729) 10.938 13.709 ( 5.476 0.000 0.500) 5.499 13.843 ( 16.075 0.000 -0.253) 16.077 13.914 ( 16.165 0.000 1.588) 16.243 21.826 ( 0.073 0.000 -2.600) 2.601 21.898 ( 3.432 0.000 3.110) 4.632 22.584 ( -2.331 0.000 4.171) 4.778 22.596 ( -1.318 0.000 -1.500) 1.997 22.957 ( -0.840 0.000 -3.773) 3.865 23.024 ( 2.340 0.000 0.975) 2.535 23.328 ( -16.872 0.000 2.969) 17.131 23.450 ( -5.803 0.000 -0.013) 5.803 23.652 ( 2.456 0.000 0.924) 2.624 23.704 ( 0.323 0.000 1.151) 1.195 23.977 ( -2.252 0.000 1.079) 2.497 24.179 ( -0.996 0.000 3.570) 3.706 24.295 ( 4.382 0.000 -2.153) 4.882 24.296 ( 13.742 0.000 -0.844) 13.768 24.856 ( -15.401 0.000 2.051) 15.537 25.402 ( 15.423 0.000 -8.273) 17.502 ======================= Grid point 191 (95/128) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 31.197 0.000 4.421) 31.509 1.888 ( 12.090 0.000 -19.175) 22.668 2.074 ( 6.156 0.000 14.057) 15.346 2.135 ( 35.152 0.000 6.160) 35.687 2.181 ( -6.431 0.000 -4.828) 8.042 2.395 ( -8.569 0.000 -5.879) 10.392 2.893 ( 2.169 0.000 -1.234) 2.496 3.083 ( -0.226 0.000 7.782) 7.785 3.282 ( -2.039 0.000 -16.629) 16.754 3.302 ( 11.209 0.000 13.149) 17.278 3.363 ( 8.074 0.000 -3.375) 8.751 3.526 ( 5.275 0.000 -5.728) 7.787 3.760 ( 2.522 0.000 -5.860) 6.380 3.954 ( -0.730 0.000 -3.943) 4.010 4.025 ( 7.971 0.000 -7.237) 10.766 4.220 ( -0.861 0.000 -16.627) 16.649 4.249 ( -9.756 0.000 4.202) 10.622 4.682 ( 1.761 0.000 4.281) 4.629 4.731 ( -3.500 0.000 -3.402) 4.880 4.808 ( 1.615 0.000 -2.435) 2.922 4.962 ( 5.155 0.000 -8.250) 9.728 5.040 ( -2.647 0.000 1.067) 2.854 5.433 ( 1.030 0.000 -2.438) 2.647 5.494 ( 7.583 0.000 -0.735) 7.618 5.546 ( -0.096 0.000 -2.316) 2.318 5.715 ( 0.293 0.000 9.946) 9.951 5.792 ( -2.175 0.000 8.864) 9.127 6.031 ( 2.973 0.000 2.209) 3.704 6.156 ( -3.414 0.000 8.732) 9.375 6.223 ( -0.360 0.000 -0.738) 0.821 6.417 ( -2.358 0.000 -3.371) 4.114 6.643 ( -0.856 0.000 6.023) 6.083 6.997 ( -0.058 0.000 -4.010) 4.010 7.070 ( 3.932 0.000 -2.142) 4.478 7.256 ( 1.470 0.000 5.181) 5.385 7.727 ( 9.486 0.000 -5.709) 11.071 8.614 ( -9.190 0.000 3.161) 9.718 8.802 ( 3.288 0.000 -5.865) 6.723 9.183 ( -4.108 0.000 11.039) 11.779 9.217 ( 3.831 0.000 -7.965) 8.838 9.824 ( 3.634 0.000 -3.768) 5.235 10.104 ( 3.199 0.000 6.538) 7.279 11.033 ( -2.017 0.000 -0.053) 2.018 11.084 ( -5.253 0.000 5.379) 7.519 11.232 ( 2.122 0.000 -9.085) 9.329 11.380 ( -8.274 0.000 14.059) 16.313 11.641 ( -5.577 0.000 -7.073) 9.007 11.650 ( -7.077 0.000 4.655) 8.471 11.956 ( -8.630 0.000 -8.018) 11.780 12.151 ( -13.519 0.000 3.763) 14.033 12.534 ( -6.147 0.000 1.450) 6.316 12.586 ( -15.185 0.000 -3.728) 15.636 13.739 ( 12.019 0.000 4.806) 12.944 13.876 ( 11.767 0.000 1.888) 11.917 14.093 ( 12.790 0.000 0.881) 12.820 14.216 ( 14.147 0.000 4.873) 14.962 21.822 ( 2.188 0.000 -1.309) 2.550 22.001 ( 3.346 0.000 3.927) 5.159 22.560 ( -2.020 0.000 0.452) 2.069 22.589 ( -3.663 0.000 4.569) 5.855 22.883 ( -0.630 0.000 -6.567) 6.597 23.039 ( -1.146 0.000 -2.502) 2.752 23.140 ( -11.617 0.000 7.804) 13.995 23.373 ( -4.346 0.000 2.662) 5.097 23.678 ( -3.880 0.000 -0.484) 3.910 23.703 ( 2.181 0.000 1.149) 2.465 23.962 ( -0.344 0.000 -0.603) 0.695 24.171 ( -1.964 0.000 0.056) 1.965 24.333 ( 3.483 0.000 -2.752) 4.439 24.437 ( -2.441 0.000 -2.162) 3.261 24.757 ( 4.470 0.000 5.897) 7.400 25.505 ( 11.123 0.000 -10.430) 15.248 ======================= Grid point 192 (96/128) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 14.572 0.000 -16.984) 22.379 2.058 ( 4.178 0.000 -4.063) 5.827 2.189 ( -12.410 0.000 1.339) 12.482 2.227 ( 14.015 0.000 4.237) 14.642 2.293 ( 1.655 0.000 12.312) 12.423 2.681 ( 19.994 0.000 5.209) 20.661 2.877 ( 1.526 0.000 -5.918) 6.111 3.079 ( 2.716 0.000 -8.907) 9.312 3.140 ( 0.075 0.000 0.551) 0.556 3.473 ( 2.385 0.000 4.523) 5.113 3.499 ( 4.232 0.000 -5.740) 7.132 3.513 ( -2.428 0.000 2.206) 3.281 3.826 ( 16.725 0.000 -11.706) 20.414 3.905 ( -0.161 0.000 -3.260) 3.263 4.056 ( 3.191 0.000 -2.355) 3.966 4.147 ( 14.180 0.000 -8.443) 16.503 4.228 ( 1.307 0.000 3.239) 3.493 4.666 ( -0.635 0.000 -7.908) 7.934 4.676 ( 1.081 0.000 -1.014) 1.483 4.837 ( -2.099 0.000 5.915) 6.276 4.967 ( 6.632 0.000 -7.142) 9.746 5.008 ( -2.812 0.000 0.670) 2.891 5.421 ( 1.123 0.000 -2.506) 2.747 5.531 ( -4.319 0.000 6.166) 7.528 5.574 ( 8.009 0.000 -9.483) 12.413 5.785 ( -0.706 0.000 3.786) 3.851 5.819 ( -5.298 0.000 5.224) 7.440 6.039 ( -3.893 0.000 -0.619) 3.942 6.209 ( -3.331 0.000 11.756) 12.218 6.235 ( 1.099 0.000 3.414) 3.586 6.376 ( 1.547 0.000 -3.021) 3.394 6.693 ( -1.534 0.000 1.697) 2.288 6.958 ( -3.253 0.000 4.481) 5.537 7.097 ( 3.098 0.000 -3.122) 4.399 7.300 ( 0.601 0.000 -1.504) 1.620 7.734 ( 3.148 0.000 -10.180) 10.655 8.502 ( -10.470 0.000 5.539) 11.845 8.786 ( 4.174 0.000 -8.247) 9.243 9.195 ( 3.976 0.000 -4.866) 6.284 9.231 ( -5.032 0.000 9.361) 10.628 9.862 ( 4.249 0.000 -1.176) 4.408 10.142 ( -3.109 0.000 0.148) 3.113 11.044 ( 1.754 0.000 2.255) 2.857 11.072 ( -5.951 0.000 8.097) 10.049 11.252 ( 6.114 0.000 0.128) 6.115 11.367 ( -10.175 0.000 9.702) 14.059 11.459 ( -2.830 0.000 -9.377) 9.795 11.571 ( -6.907 0.000 1.669) 7.105 11.788 ( -0.599 0.000 -7.486) 7.510 12.018 ( -8.493 0.000 3.346) 9.129 12.325 ( -12.835 0.000 0.634) 12.851 12.467 ( -2.761 0.000 -0.702) 2.849 13.965 ( 8.196 0.000 4.780) 9.489 14.116 ( 12.761 0.000 3.558) 13.248 14.263 ( 7.323 0.000 -0.834) 7.370 14.452 ( 5.070 0.000 6.413) 8.175 21.864 ( 3.895 0.000 -0.215) 3.901 22.077 ( 0.285 0.000 2.477) 2.493 22.548 ( -1.590 0.000 2.911) 3.317 22.573 ( -4.886 0.000 4.665) 6.755 22.789 ( 0.681 0.000 -7.768) 7.798 22.945 ( -5.247 0.000 -0.756) 5.301 23.116 ( -4.396 0.000 6.289) 7.673 23.392 ( -0.075 0.000 6.461) 6.461 23.570 ( -4.534 0.000 -5.051) 6.788 23.750 ( 1.614 0.000 1.118) 1.964 23.946 ( 0.351 0.000 -2.060) 2.090 24.103 ( -3.113 0.000 -3.931) 5.014 24.335 ( -2.610 0.000 -1.592) 3.057 24.339 ( 1.529 0.000 -3.054) 3.415 24.981 ( 5.387 0.000 10.850) 12.114 25.529 ( 8.214 0.000 -11.675) 14.275 ======================= Grid point 193 (97/128) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 13.733 0.000 -10.578) 17.335 1.967 ( -15.255 0.000 4.911) 16.025 2.039 ( -13.227 0.000 10.364) 16.804 2.356 ( 12.104 0.000 -8.035) 14.528 2.523 ( 4.160 0.000 7.495) 8.573 2.832 ( 7.492 0.000 -8.320) 11.196 2.864 ( -2.037 0.000 1.735) 2.676 3.057 ( -0.432 0.000 -14.264) 14.270 3.161 ( 2.743 0.000 8.082) 8.534 3.378 ( -4.969 0.000 -2.647) 5.630 3.560 ( 0.245 0.000 4.738) 4.745 3.579 ( 7.130 0.000 -2.729) 7.635 3.951 ( 2.307 0.000 4.083) 4.689 3.961 ( 12.483 0.000 -6.363) 14.011 4.118 ( 5.121 0.000 -1.034) 5.225 4.216 ( -2.170 0.000 -4.771) 5.241 4.305 ( 5.110 0.000 -0.248) 5.116 4.524 ( -2.906 0.000 -9.041) 9.497 4.750 ( 5.380 0.000 3.726) 6.544 4.864 ( -3.302 0.000 6.424) 7.223 4.962 ( -3.326 0.000 0.404) 3.350 5.000 ( 5.396 0.000 -4.619) 7.103 5.412 ( 1.039 0.000 -1.871) 2.140 5.489 ( -7.140 0.000 -1.686) 7.337 5.556 ( -2.301 0.000 6.261) 6.670 5.758 ( -5.487 0.000 0.831) 5.550 5.904 ( 17.362 0.000 -6.089) 18.398 5.917 ( -12.810 0.000 4.742) 13.659 6.296 ( 0.079 0.000 5.180) 5.181 6.330 ( 5.418 0.000 1.715) 5.683 6.377 ( 1.378 0.000 -0.621) 1.512 6.600 ( -4.759 0.000 -6.069) 7.712 7.015 ( -4.583 0.000 12.730) 13.530 7.101 ( 1.445 0.000 -1.796) 2.305 7.275 ( 2.383 0.000 -3.631) 4.344 7.605 ( -0.306 0.000 -14.146) 14.150 8.426 ( -8.039 0.000 8.583) 11.760 8.724 ( 3.936 0.000 -12.319) 12.933 9.241 ( -5.799 0.000 6.861) 8.983 9.245 ( 5.859 0.000 -1.113) 5.964 9.925 ( 3.598 0.000 0.746) 3.674 10.060 ( -3.586 0.000 -2.743) 4.514 11.079 ( -5.705 0.000 8.806) 10.493 11.141 ( 5.974 0.000 3.245) 6.798 11.301 ( -9.085 0.000 6.118) 10.953 11.326 ( 5.809 0.000 -11.631) 13.001 11.392 ( 1.781 0.000 4.513) 4.852 11.474 ( -4.040 0.000 -1.733) 4.396 11.753 ( 5.066 0.000 -4.169) 6.561 11.899 ( -6.803 0.000 -2.930) 7.407 12.222 ( -6.911 0.000 9.325) 11.606 12.422 ( 0.444 0.000 -3.597) 3.624 14.122 ( 2.828 0.000 5.922) 6.563 14.310 ( 1.011 0.000 -2.719) 2.901 14.365 ( 11.568 0.000 3.627) 12.123 14.518 ( -4.092 0.000 3.132) 5.153 21.941 ( 5.001 0.000 0.640) 5.042 22.057 ( -3.656 0.000 -0.554) 3.698 22.550 ( -4.448 0.000 4.706) 6.476 22.579 ( 0.507 0.000 3.012) 3.054 22.747 ( 3.340 0.000 -4.181) 5.351 22.860 ( -3.163 0.000 -2.461) 4.007 23.129 ( -4.222 0.000 8.364) 9.369 23.429 ( -1.048 0.000 -8.188) 8.255 23.513 ( 2.351 0.000 7.867) 8.211 23.764 ( -0.239 0.000 -1.891) 1.906 23.930 ( 0.939 0.000 -1.650) 1.898 24.007 ( -2.422 0.000 -3.744) 4.459 24.308 ( -0.453 0.000 -0.010) 0.453 24.321 ( 0.321 0.000 -1.907) 1.934 25.152 ( -1.057 0.000 11.607) 11.655 25.501 ( 6.202 0.000 -12.582) 14.027 ======================= Grid point 194 (98/128) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -19.966 0.000 8.043) 21.526 1.952 ( -17.404 0.000 20.110) 26.595 2.125 ( 15.495 0.000 -6.868) 16.949 2.401 ( 12.089 0.000 -18.088) 21.756 2.690 ( 2.001 0.000 15.431) 15.560 2.734 ( -13.303 0.000 0.423) 13.310 2.842 ( 0.354 0.000 -18.092) 18.095 2.904 ( 5.325 0.000 -1.806) 5.623 3.278 ( -1.072 0.000 7.225) 7.304 3.281 ( -5.471 0.000 -0.666) 5.511 3.566 ( -2.731 0.000 1.212) 2.988 3.638 ( 2.693 0.000 -3.364) 4.309 3.909 ( -16.616 0.000 -4.072) 17.108 4.031 ( -8.439 0.000 5.784) 10.231 4.039 ( 1.987 0.000 -5.643) 5.982 4.154 ( -1.337 0.000 3.139) 3.412 4.377 ( 1.862 0.000 2.140) 2.837 4.397 ( -0.927 0.000 -6.138) 6.207 4.836 ( -4.963 0.000 -1.012) 5.065 4.904 ( 6.081 0.000 3.915) 7.233 4.916 ( -4.920 0.000 1.983) 5.304 5.011 ( 2.114 0.000 -3.814) 4.361 5.360 ( -6.848 0.000 2.071) 7.155 5.399 ( -5.037 0.000 3.695) 6.247 5.634 ( -0.372 0.000 9.747) 9.754 5.693 ( 0.267 0.000 -4.141) 4.149 5.796 ( -5.237 0.000 4.064) 6.629 6.127 ( 19.389 0.000 -13.034) 23.363 6.312 ( -2.145 0.000 0.722) 2.263 6.386 ( 4.844 0.000 -2.429) 5.419 6.451 ( -4.099 0.000 -5.051) 6.504 6.471 ( 4.700 0.000 5.049) 6.898 7.052 ( -3.773 0.000 5.186) 6.413 7.131 ( 3.044 0.000 1.951) 3.616 7.353 ( 4.100 0.000 6.910) 8.035 7.407 ( -1.009 0.000 -16.052) 16.084 8.459 ( -3.295 0.000 11.815) 12.266 8.655 ( 6.629 0.000 -12.276) 13.951 9.202 ( -6.446 0.000 3.540) 7.354 9.331 ( 5.638 0.000 -1.525) 5.840 9.969 ( -3.508 0.000 -2.757) 4.462 10.001 ( 3.599 0.000 2.257) 4.248 11.101 ( -4.400 0.000 9.085) 10.094 11.205 ( -6.455 0.000 -0.527) 6.476 11.277 ( 6.715 0.000 -8.766) 11.042 11.319 ( 8.750 0.000 0.641) 8.774 11.429 ( -0.067 0.000 -0.144) 0.159 11.483 ( 5.575 0.000 0.855) 5.640 11.744 ( -6.620 0.000 -3.571) 7.522 11.844 ( 7.918 0.000 0.409) 7.929 12.278 ( -1.590 0.000 10.017) 10.143 12.396 ( 3.594 0.000 -6.052) 7.038 14.196 ( -3.397 0.000 6.809) 7.609 14.237 ( -4.681 0.000 -3.937) 6.116 14.407 ( -10.195 0.000 -0.960) 10.241 14.564 ( 8.831 0.000 0.362) 8.839 21.970 ( -4.542 0.000 -1.757) 4.870 22.037 ( 5.132 0.000 0.947) 5.218 22.550 ( -2.184 0.000 4.785) 5.259 22.623 ( 3.271 0.000 -0.970) 3.412 22.768 ( -2.923 0.000 -4.609) 5.458 22.791 ( 3.312 0.000 1.576) 3.668 23.199 ( -1.653 0.000 12.172) 12.283 23.334 ( 2.955 0.000 -9.581) 10.026 23.651 ( 1.802 0.000 7.805) 8.010 23.684 ( -2.543 0.000 -6.861) 7.317 23.935 ( -2.125 0.000 -1.992) 2.913 23.950 ( 1.452 0.000 1.371) 1.997 24.305 ( -0.091 0.000 0.085) 0.124 24.310 ( 0.177 0.000 -0.451) 0.484 25.239 ( -5.155 0.000 11.782) 12.860 25.426 ( 3.667 0.000 -13.844) 14.322 ======================= Grid point 195 (99/128) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -19.683 0.000 14.490) 24.442 1.870 ( -22.029 0.000 16.233) 27.364 2.285 ( 10.109 0.000 -4.339) 11.001 2.371 ( 9.365 0.000 -14.632) 17.372 2.521 ( -17.118 0.000 9.794) 19.722 2.663 ( 1.576 0.000 -13.338) 13.431 2.803 ( -12.435 0.000 -5.181) 13.471 2.947 ( 0.298 0.000 15.511) 15.514 3.144 ( -8.079 0.000 -4.895) 9.446 3.331 ( -0.368 0.000 8.438) 8.446 3.507 ( -24.436 0.000 4.460) 24.839 3.570 ( 4.336 0.000 -2.068) 4.804 3.617 ( -0.276 0.000 -1.124) 1.158 3.930 ( -4.358 0.000 -3.950) 5.882 4.024 ( -1.854 0.000 2.935) 3.472 4.038 ( -17.787 0.000 1.874) 17.885 4.331 ( 0.560 0.000 -4.562) 4.596 4.459 ( -0.240 0.000 9.495) 9.498 4.704 ( -4.902 0.000 -4.755) 6.829 4.838 ( -8.371 0.000 5.011) 9.756 4.966 ( 2.552 0.000 -5.236) 5.824 5.045 ( 4.820 0.000 -0.112) 4.821 5.327 ( -12.032 0.000 9.568) 15.372 5.331 ( -3.300 0.000 5.738) 6.619 5.679 ( 4.690 0.000 -5.572) 7.283 5.746 ( -1.037 0.000 9.393) 9.450 5.840 ( 5.391 0.000 -1.179) 5.519 6.172 ( 5.252 0.000 -10.268) 11.534 6.280 ( -1.725 0.000 1.075) 2.033 6.353 ( -1.880 0.000 -3.025) 3.562 6.440 ( 9.094 0.000 -9.958) 13.486 6.620 ( 4.437 0.000 5.414) 7.000 7.040 ( -2.969 0.000 2.433) 3.838 7.195 ( -3.390 0.000 -9.724) 10.298 7.255 ( 8.924 0.000 -2.762) 9.342 7.515 ( 1.548 0.000 9.895) 10.016 8.572 ( -1.239 0.000 11.486) 11.553 8.666 ( 10.346 0.000 -9.307) 13.917 9.128 ( -6.051 0.000 2.168) 6.428 9.377 ( 3.811 0.000 -3.983) 5.512 9.876 ( -4.290 0.000 -1.907) 4.694 10.107 ( 5.405 0.000 2.885) 6.127 11.105 ( -2.150 0.000 -3.231) 3.881 11.160 ( -2.635 0.000 8.903) 9.285 11.256 ( 5.349 0.000 -9.400) 10.815 11.416 ( 0.433 0.000 -3.694) 3.720 11.472 ( 8.492 0.000 -1.382) 8.604 11.630 ( 12.546 0.000 -1.923) 12.693 11.645 ( -3.217 0.000 4.112) 5.220 12.006 ( 9.324 0.000 2.369) 9.621 12.391 ( 2.717 0.000 6.693) 7.223 12.408 ( 7.098 0.000 -5.647) 9.070 14.071 ( -8.976 0.000 -4.447) 10.017 14.166 ( -10.438 0.000 6.822) 12.470 14.183 ( -13.437 0.000 -2.874) 13.741 14.627 ( 2.457 0.000 -7.357) 7.756 21.880 ( -3.641 0.000 -1.547) 3.956 22.112 ( 2.877 0.000 -0.763) 2.976 22.602 ( 2.011 0.000 3.870) 4.361 22.661 ( 4.278 0.000 -3.240) 5.367 22.664 ( -3.906 0.000 -2.082) 4.426 22.877 ( 2.793 0.000 3.910) 4.805 23.295 ( 6.016 0.000 -9.254) 11.037 23.383 ( 5.250 0.000 13.133) 14.144 23.548 ( -2.230 0.000 -7.675) 7.992 23.735 ( -0.637 0.000 3.692) 3.747 23.896 ( -1.466 0.000 1.073) 1.816 24.007 ( 1.883 0.000 4.030) 4.448 24.306 ( -0.182 0.000 0.288) 0.341 24.315 ( 0.576 0.000 0.469) 0.743 25.265 ( -2.420 0.000 -15.793) 15.977 25.275 ( -7.702 0.000 11.967) 14.231 ======================= Grid point 196 (100/128) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -16.525 0.000 20.677) 26.469 1.586 ( -30.449 0.000 10.651) 32.258 2.268 ( -4.682 0.000 -8.424) 9.638 2.284 ( -23.713 0.000 -8.704) 25.260 2.395 ( -1.187 0.000 -7.337) 7.432 2.414 ( 0.274 0.000 -7.537) 7.542 2.619 ( -10.840 0.000 19.198) 22.047 2.972 ( -5.777 0.000 3.309) 6.657 3.097 ( -2.116 0.000 9.132) 9.374 3.289 ( -11.806 0.000 7.478) 13.975 3.433 ( -0.390 0.000 1.755) 1.798 3.545 ( -6.647 0.000 -9.123) 11.288 3.670 ( 6.832 0.000 -0.021) 6.832 3.840 ( -5.210 0.000 12.952) 13.961 3.885 ( 1.048 0.000 4.937) 5.047 4.002 ( -1.957 0.000 -1.522) 2.479 4.330 ( 6.076 0.000 -2.964) 6.760 4.560 ( -2.090 0.000 9.781) 10.002 4.636 ( -1.691 0.000 3.713) 4.080 4.790 ( -6.244 0.000 7.638) 9.865 4.918 ( -0.211 0.000 -6.769) 6.772 5.097 ( 4.121 0.000 -3.763) 5.580 5.265 ( -10.684 0.000 11.932) 16.016 5.356 ( -2.092 0.000 5.055) 5.471 5.682 ( 4.576 0.000 -6.887) 8.269 5.814 ( -2.958 0.000 7.201) 7.785 5.864 ( 0.417 0.000 -4.315) 4.335 6.113 ( 2.528 0.000 -8.469) 8.838 6.268 ( -0.016 0.000 -3.716) 3.716 6.345 ( 2.080 0.000 3.444) 4.023 6.423 ( 4.373 0.000 -12.668) 13.401 6.701 ( -0.166 0.000 1.444) 1.453 7.018 ( -2.932 0.000 2.237) 3.688 7.032 ( -2.078 0.000 -7.512) 7.795 7.340 ( 4.652 0.000 -4.117) 6.212 7.601 ( -4.069 0.000 6.515) 7.681 8.666 ( -1.535 0.000 7.781) 7.930 8.743 ( 10.683 0.000 -8.103) 13.408 9.074 ( -5.180 0.000 4.537) 6.886 9.365 ( 2.196 0.000 -5.872) 6.269 9.792 ( -3.895 0.000 -0.243) 3.902 10.203 ( 2.736 0.000 -1.666) 3.203 11.066 ( 1.750 0.000 -2.891) 3.379 11.125 ( -6.840 0.000 0.694) 6.876 11.228 ( 3.971 0.000 -8.091) 9.013 11.506 ( 9.049 0.000 5.495) 10.587 11.575 ( 7.929 0.000 -3.916) 8.843 11.750 ( 5.822 0.000 10.763) 12.237 11.788 ( 12.172 0.000 -7.944) 14.535 12.191 ( 10.478 0.000 0.628) 10.497 12.523 ( 6.351 0.000 2.712) 6.905 12.524 ( 10.912 0.000 0.774) 10.939 13.846 ( -10.851 0.000 -4.928) 11.917 13.923 ( -13.301 0.000 -2.410) 13.518 14.013 ( -17.606 0.000 6.397) 18.732 14.435 ( -10.042 0.000 -13.648) 16.944 21.818 ( -2.051 0.000 -0.786) 2.196 22.091 ( -1.629 0.000 -4.236) 4.538 22.585 ( -1.282 0.000 -1.748) 2.168 22.680 ( 3.037 0.000 -3.841) 4.897 22.729 ( 2.988 0.000 7.438) 8.016 22.968 ( 1.862 0.000 4.028) 4.438 23.313 ( 9.523 0.000 -8.524) 12.781 23.455 ( 0.975 0.000 -5.000) 5.094 23.636 ( 9.082 0.000 4.773) 10.260 23.723 ( -2.465 0.000 -0.241) 2.476 23.913 ( -0.379 0.000 3.527) 3.548 24.122 ( 4.521 0.000 5.165) 6.864 24.300 ( -1.051 0.000 0.211) 1.072 24.365 ( 3.689 0.000 3.619) 5.168 24.959 ( -11.150 0.000 -13.789) 17.733 25.271 ( -10.184 0.000 11.518) 15.375 ======================= Grid point 197 (101/128) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -29.835 0.000 4.823) 30.222 1.482 ( -14.113 0.000 21.948) 26.094 1.646 ( -29.180 0.000 -10.452) 30.996 2.093 ( -2.118 0.000 -5.598) 5.985 2.344 ( 9.375 0.000 -8.636) 12.746 2.472 ( 4.661 0.000 2.683) 5.378 2.696 ( -11.958 0.000 20.771) 23.967 3.018 ( -8.804 0.000 16.716) 18.892 3.035 ( -14.429 0.000 -0.938) 14.459 3.222 ( -2.405 0.000 -9.410) 9.712 3.261 ( 2.203 0.000 3.629) 4.245 3.510 ( 3.104 0.000 -0.531) 3.149 3.804 ( 7.249 0.000 0.859) 7.299 3.925 ( 1.244 0.000 5.220) 5.366 3.969 ( 2.987 0.000 -2.362) 3.808 4.129 ( 4.388 0.000 14.739) 15.378 4.458 ( 11.429 0.000 -1.501) 11.527 4.635 ( -0.844 0.000 8.457) 8.499 4.702 ( -0.909 0.000 8.319) 8.369 4.779 ( -4.896 0.000 -8.732) 10.011 4.831 ( -0.874 0.000 8.858) 8.901 5.097 ( -1.865 0.000 0.803) 2.031 5.279 ( -1.488 0.000 7.850) 7.989 5.380 ( -1.202 0.000 3.499) 3.700 5.670 ( 4.316 0.000 -7.296) 8.477 5.757 ( -3.401 0.000 -7.360) 8.108 5.806 ( -4.707 0.000 1.340) 4.894 6.088 ( 5.512 0.000 -5.689) 7.921 6.205 ( -2.888 0.000 -2.083) 3.561 6.221 ( -9.735 0.000 -14.755) 17.678 6.460 ( 5.655 0.000 3.400) 6.598 6.675 ( -1.230 0.000 -1.817) 2.194 6.964 ( -1.208 0.000 0.595) 1.347 7.003 ( -1.871 0.000 1.848) 2.630 7.340 ( 5.583 0.000 -7.057) 8.999 7.524 ( -10.768 0.000 1.691) 10.900 8.726 ( -0.056 0.000 4.954) 4.955 8.806 ( 8.185 0.000 -7.119) 10.848 9.054 ( -6.669 0.000 7.820) 10.277 9.318 ( 1.953 0.000 -7.062) 7.327 9.755 ( -1.619 0.000 2.034) 2.600 10.118 ( -3.627 0.000 -8.897) 9.607 11.082 ( 0.204 0.000 3.685) 3.691 11.089 ( -1.083 0.000 3.724) 3.878 11.191 ( 1.877 0.000 -6.079) 6.362 11.625 ( 7.196 0.000 -9.819) 12.174 11.664 ( 1.655 0.000 4.930) 5.201 11.830 ( 6.897 0.000 -9.599) 11.820 12.131 ( 22.029 0.000 7.777) 23.361 12.355 ( 7.519 0.000 0.648) 7.547 12.665 ( 8.950 0.000 0.099) 8.950 12.737 ( 7.113 0.000 5.693) 9.110 13.630 ( -5.268 0.000 -6.123) 8.077 13.723 ( -7.184 0.000 -0.821) 7.231 13.751 ( -22.909 0.000 6.653) 23.856 14.041 ( -17.565 0.000 -9.071) 19.769 21.797 ( -0.093 0.000 0.302) 0.316 21.985 ( -3.328 0.000 -5.052) 6.050 22.565 ( -1.227 0.000 1.455) 1.903 22.669 ( 1.223 0.000 -3.688) 3.886 22.860 ( 3.250 0.000 5.110) 6.056 23.017 ( -0.395 0.000 1.762) 1.806 23.412 ( 12.126 0.000 -5.298) 13.232 23.465 ( 4.389 0.000 -1.397) 4.606 23.671 ( -2.685 0.000 -0.747) 2.787 23.738 ( 1.656 0.000 -1.991) 2.589 23.960 ( 1.436 0.000 2.983) 3.311 24.207 ( 1.288 0.000 0.475) 1.372 24.273 ( -1.876 0.000 -0.508) 1.944 24.328 ( -15.397 0.000 -3.153) 15.717 24.865 ( 15.822 0.000 0.874) 15.846 25.210 ( -13.112 0.000 9.892) 16.425 ======================= Grid point 198 (102/128) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 6.508 9.401 4.774) 12.390 1.208 ( -9.059 9.254 -8.814) 15.665 1.808 ( -5.644 16.612 18.118) 25.220 2.143 ( 5.528 11.670 -11.730) 17.446 2.574 ( 5.648 2.614 3.616) 7.197 2.631 ( 6.038 -0.750 8.200) 10.210 2.691 ( -3.330 2.951 -2.389) 5.051 2.789 ( -7.286 2.007 -3.759) 8.440 2.980 ( -4.702 -0.131 9.917) 10.976 3.159 ( 0.274 2.691 -3.063) 4.086 3.477 ( 2.932 2.899 6.533) 7.725 3.587 ( 3.308 1.236 -1.239) 3.742 3.875 ( 6.588 -5.123 7.249) 11.054 3.920 ( 0.955 -10.722 1.743) 10.905 3.961 ( 1.840 -2.719 -0.824) 3.385 4.077 ( -2.824 -5.269 -7.251) 9.398 4.568 ( -8.318 -1.663 -0.022) 8.482 4.598 ( 8.095 -3.042 -0.667) 8.673 4.773 ( 3.252 1.794 5.326) 6.493 4.816 ( -1.768 1.561 2.445) 3.397 4.944 ( -3.778 1.886 11.566) 12.312 5.147 ( 2.333 5.934 -5.218) 8.239 5.343 ( -0.381 -5.934 6.004) 8.450 5.372 ( 0.093 -4.334 8.244) 9.315 5.585 ( 0.917 -3.476 -5.658) 6.704 5.733 ( -4.437 -1.926 -7.759) 9.143 5.797 ( -1.388 6.800 -3.065) 7.587 5.822 ( -5.051 7.296 -4.908) 10.141 6.146 ( 1.277 0.634 -1.194) 1.860 6.172 ( 2.912 2.568 -3.687) 5.354 6.542 ( 2.670 -3.600 1.858) 4.852 6.580 ( -0.934 -3.894 -2.012) 4.482 6.950 ( -1.742 -1.944 3.812) 4.620 7.020 ( 1.384 0.379 -1.406) 2.009 7.328 ( -8.011 -0.391 1.536) 8.166 7.414 ( 9.155 0.422 -5.892) 10.896 8.773 ( -0.337 -0.279 2.593) 2.630 8.843 ( 4.622 0.456 -4.710) 6.615 9.030 ( -7.278 -0.783 9.724) 12.172 9.251 ( 4.434 -1.408 -9.379) 10.470 9.896 ( 1.901 9.142 4.127) 10.209 10.034 ( -2.789 8.125 -8.566) 12.132 11.096 ( 0.562 -4.037 4.305) 5.928 11.118 ( -1.636 -1.148 1.026) 2.247 11.167 ( -2.225 -0.063 4.243) 4.792 11.451 ( 2.549 -8.567 -12.429) 15.309 11.710 ( -1.033 -0.538 2.768) 3.003 11.806 ( 2.697 -1.478 -6.079) 6.813 12.426 ( -5.079 2.121 2.212) 5.932 12.457 ( 4.494 1.811 -0.756) 4.904 12.786 ( -6.588 -0.234 3.487) 7.458 12.843 ( 12.787 -0.978 -1.580) 12.921 13.444 ( -17.305 -2.380 7.555) 19.032 13.567 ( 8.905 -4.484 -3.895) 10.704 13.703 ( 2.986 0.000 1.367) 3.284 13.738 ( -4.529 -0.211 -2.076) 4.987 21.894 ( 2.097 6.308 -0.000) 6.648 21.931 ( -2.369 4.854 -3.316) 6.337 22.532 ( -1.909 -3.687 3.174) 5.227 22.602 ( 0.675 -2.967 -3.318) 4.502 22.981 ( 1.335 1.826 2.391) 3.292 23.027 ( -1.151 1.815 -1.685) 2.731 23.490 ( 3.867 -2.176 0.764) 4.503 23.509 ( -4.449 -1.292 -0.335) 4.645 23.671 ( -0.547 2.559 0.334) 2.638 23.685 ( -1.640 2.891 -1.228) 3.543 23.972 ( -1.802 -3.075 4.051) 5.396 24.067 ( 2.378 -1.907 -4.475) 5.415 24.272 ( -1.914 4.911 2.943) 6.037 24.332 ( 1.074 5.744 -2.278) 6.272 25.024 ( -11.117 -4.458 7.135) 13.942 25.144 ( 14.947 -3.927 -4.076) 15.982 ======================= Grid point 199 (103/128) ======================= q-point: ( 0.11 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 22.228 9.548 -0.803) 24.206 1.508 ( 32.039 5.088 5.722) 32.941 1.948 ( -0.055 12.240 11.387) 16.717 2.104 ( 8.384 14.169 -11.404) 20.028 2.525 ( -4.888 8.249 -9.424) 13.445 2.585 ( -7.061 -0.869 -5.371) 8.914 2.767 ( 8.232 0.026 5.243) 9.760 2.880 ( 5.071 -6.386 6.195) 10.241 3.033 ( 5.236 6.769 5.597) 10.225 3.257 ( 10.395 4.508 1.940) 11.496 3.538 ( -1.267 -0.351 -6.157) 6.296 3.560 ( 2.280 2.982 -4.735) 6.043 3.827 ( -6.449 -5.257 -8.000) 11.542 3.941 ( -0.413 -5.855 -4.309) 7.281 3.964 ( 2.969 -6.414 -3.710) 7.983 4.107 ( 5.957 -6.357 5.655) 10.386 4.427 ( -9.577 0.328 0.783) 9.615 4.681 ( 1.571 -6.678 -1.232) 6.970 4.725 ( -3.149 2.460 -1.796) 4.381 4.845 ( -1.598 2.597 -1.160) 3.262 5.024 ( -3.633 -0.477 8.525) 9.279 5.112 ( 4.390 4.559 -8.088) 10.270 5.392 ( 2.589 0.362 4.241) 4.982 5.416 ( 0.832 -4.006 -2.106) 4.602 5.562 ( 1.350 -3.173 -4.130) 5.380 5.699 ( -4.471 6.441 0.518) 7.858 5.750 ( 3.092 -5.762 13.657) 15.142 5.851 ( 2.881 8.473 3.505) 9.611 6.126 ( 1.588 2.839 -1.775) 3.706 6.232 ( 5.041 1.060 -2.706) 5.819 6.502 ( -2.841 -2.290 -1.700) 4.025 6.583 ( -1.306 -3.522 -0.576) 3.800 6.993 ( 1.669 -3.034 3.896) 5.213 7.024 ( 2.627 -0.404 -3.958) 4.768 7.210 ( -5.691 1.184 2.573) 6.356 7.580 ( 13.922 -0.527 -3.764) 14.431 8.739 ( -5.149 1.522 -0.302) 5.378 8.833 ( 2.180 0.412 -5.619) 6.041 9.065 ( -5.240 -2.990 12.431) 13.818 9.222 ( 4.931 -1.731 -8.640) 10.097 9.928 ( 0.546 7.912 -5.232) 9.501 10.029 ( 5.112 8.896 7.059) 12.454 11.074 ( -2.784 -1.495 -0.427) 3.189 11.110 ( -1.329 0.147 -0.113) 1.342 11.238 ( -5.894 -6.109 15.041) 17.271 11.318 ( 1.177 -5.065 -12.876) 13.887 11.692 ( -4.726 -0.453 2.592) 5.409 11.764 ( -0.764 -1.119 -4.039) 4.260 12.244 ( -15.669 1.380 -1.579) 15.809 12.352 ( -13.315 0.225 1.389) 13.389 12.663 ( -9.525 1.624 1.185) 9.735 12.854 ( -8.819 -1.106 -5.426) 10.414 13.439 ( 6.906 -3.382 7.261) 10.575 13.654 ( 6.756 -4.961 0.890) 8.429 13.857 ( 15.947 1.061 -0.186) 15.984 13.921 ( 16.386 0.504 1.916) 16.505 21.878 ( -0.438 5.035 -1.426) 5.251 21.954 ( 3.306 5.270 2.247) 6.615 22.539 ( -2.557 -3.855 3.758) 5.960 22.574 ( -0.105 -2.510 -1.805) 3.093 22.942 ( -3.603 -0.293 -1.278) 3.834 23.062 ( 2.437 1.942 1.376) 3.406 23.324 ( -13.561 -0.126 1.036) 13.601 23.469 ( -5.655 1.661 -0.098) 5.895 23.693 ( 1.965 3.706 0.195) 4.199 23.708 ( 0.622 0.489 1.567) 1.756 23.967 ( -1.226 -0.785 1.068) 1.806 24.158 ( 8.570 -4.742 -1.458) 9.902 24.240 ( -1.284 2.447 0.197) 2.770 24.412 ( 7.024 6.219 0.630) 9.402 24.822 ( -14.515 -3.092 1.467) 14.913 25.359 ( 15.361 -4.326 -6.853) 17.368 ======================= Grid point 200 (104/128) ======================= q-point: ( 0.22 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 26.684 3.960 -2.958) 27.138 2.042 ( 12.593 11.312 -7.148) 18.375 2.110 ( 25.768 1.538 6.634) 26.652 2.228 ( 9.441 9.499 6.623) 14.941 2.336 ( -1.875 12.603 -8.288) 15.200 2.410 ( -7.701 3.526 -1.545) 8.610 2.896 ( 3.527 -1.250 -0.732) 3.813 3.020 ( 2.653 -3.356 8.553) 9.563 3.276 ( 4.445 0.251 -9.741) 10.710 3.344 ( 6.642 1.027 -1.389) 6.863 3.409 ( 5.971 5.730 -0.584) 8.296 3.586 ( 2.765 5.329 -4.295) 7.382 3.674 ( 1.159 -6.435 -7.716) 10.113 3.915 ( 5.221 -8.248 -4.700) 10.834 3.959 ( 1.716 -3.775 -3.668) 5.536 4.178 ( 2.129 -1.837 -3.011) 4.120 4.281 ( -6.652 2.768 -0.286) 7.211 4.583 ( -2.209 -6.843 -4.234) 8.345 4.740 ( -2.344 0.399 -2.560) 3.494 4.792 ( 0.885 0.788 2.014) 2.337 5.015 ( -5.586 1.267 5.470) 7.920 5.108 ( 7.363 5.651 -11.093) 14.464 5.403 ( 2.159 -3.553 -3.845) 5.663 5.504 ( 10.579 0.590 -5.536) 11.955 5.609 ( -3.352 6.698 3.842) 8.418 5.671 ( -0.478 -3.292 8.453) 9.083 5.896 ( -1.357 7.024 7.514) 10.375 5.983 ( 2.365 -6.421 9.175) 11.446 6.131 ( 0.159 2.857 -1.651) 3.303 6.249 ( -1.051 1.221 0.750) 1.778 6.442 ( -1.271 1.813 -3.141) 3.843 6.567 ( -1.448 -6.868 4.761) 8.482 6.986 ( -0.070 -0.843 -3.930) 4.020 7.090 ( 5.089 -0.443 -0.398) 5.124 7.207 ( 0.186 -2.569 2.827) 3.824 7.726 ( 9.248 -0.713 -5.258) 10.663 8.621 ( -8.814 0.683 0.741) 8.871 8.799 ( 2.515 -0.608 -6.107) 6.632 9.127 ( -3.331 -3.653 8.837) 10.126 9.200 ( 2.545 -2.019 -4.919) 5.894 9.913 ( 2.936 8.207 -2.492) 9.065 10.202 ( 3.215 9.187 7.327) 12.183 11.031 ( -2.815 -1.198 1.512) 3.413 11.079 ( -3.708 -0.054 3.129) 4.852 11.198 ( 0.871 -2.903 -6.417) 7.096 11.314 ( -5.342 -5.801 10.456) 13.097 11.624 ( -4.379 -1.403 -1.790) 4.934 11.676 ( -7.242 1.520 0.786) 7.442 11.957 ( -10.368 0.292 -7.250) 12.655 12.144 ( -14.042 -0.681 3.608) 14.515 12.537 ( -7.196 0.134 1.144) 7.287 12.578 ( -15.063 -0.794 -3.543) 15.494 13.687 ( 11.894 -4.198 4.777) 13.488 13.835 ( 12.143 -3.808 1.704) 12.839 14.114 ( 13.670 1.712 0.531) 13.787 14.228 ( 14.253 0.783 4.766) 15.049 21.880 ( 1.454 5.451 0.123) 5.642 22.048 ( 3.215 4.584 3.697) 6.709 22.530 ( -3.086 -5.163 2.567) 6.539 22.560 ( -1.237 -0.217 1.212) 1.745 22.866 ( -3.407 -0.078 -1.680) 3.800 23.098 ( -3.561 -1.431 4.532) 5.938 23.148 ( -6.177 5.298 -1.415) 8.260 23.377 ( -4.745 0.935 1.277) 5.002 23.660 ( -4.133 -0.574 -1.312) 4.374 23.761 ( 2.029 3.971 1.826) 4.819 23.962 ( 0.184 0.088 -0.846) 0.871 24.177 ( -2.030 0.090 -1.395) 2.465 24.291 ( 5.596 -3.575 -2.522) 7.104 24.440 ( -5.416 -0.182 -3.050) 6.218 24.756 ( 5.065 0.853 6.112) 7.983 25.478 ( 10.929 -2.942 -9.078) 14.509 ======================= Grid point 201 (105/128) ======================= q-point: ( 0.33 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 12.863 4.104 -10.088) 16.855 2.172 ( 2.696 7.783 -9.174) 12.329 2.255 ( 2.888 6.892 -3.361) 8.194 2.305 ( 1.850 5.694 1.607) 6.199 2.412 ( 2.659 12.445 14.704) 19.447 2.646 ( 16.654 -0.494 5.838) 17.654 2.956 ( 4.122 2.868 -1.367) 5.205 3.039 ( 1.582 -2.140 -6.056) 6.615 3.159 ( 0.844 1.315 -2.311) 2.790 3.385 ( -4.590 -1.632 -2.630) 5.536 3.517 ( 3.328 1.678 -7.251) 8.153 3.614 ( 6.994 4.065 2.963) 8.615 3.715 ( 14.912 -6.747 -6.016) 17.438 3.935 ( 1.437 -2.136 -0.584) 2.640 4.042 ( 10.568 -1.782 -0.967) 10.760 4.181 ( 5.022 3.604 -4.877) 7.873 4.248 ( 1.535 2.547 0.693) 3.053 4.517 ( 0.489 -8.503 -5.274) 10.018 4.676 ( -0.251 -0.348 -2.419) 2.457 4.837 ( -1.150 -0.535 4.414) 4.592 4.988 ( -4.725 1.828 3.639) 6.238 5.076 ( 6.031 4.044 -11.992) 14.019 5.394 ( 2.016 -3.195 -3.800) 5.359 5.559 ( -3.746 1.576 3.148) 5.141 5.612 ( 4.517 4.601 -4.301) 7.751 5.736 ( 0.770 -3.471 2.785) 4.516 5.920 ( -3.245 8.406 3.022) 9.504 6.061 ( -9.819 -3.178 7.526) 12.773 6.139 ( 5.209 0.545 2.002) 5.607 6.266 ( 0.907 1.352 3.520) 3.879 6.402 ( 0.226 1.785 -1.630) 2.428 6.605 ( -0.901 -8.127 1.407) 8.297 6.947 ( -2.860 -0.914 2.882) 4.162 7.141 ( 3.367 3.612 -2.178) 5.397 7.234 ( 1.497 -5.890 -1.871) 6.359 7.737 ( 3.086 -0.157 -9.813) 10.288 8.486 ( -10.025 -1.427 3.532) 10.724 8.759 ( 2.862 -2.872 -8.648) 9.551 9.166 ( 2.296 -2.142 0.142) 3.143 9.201 ( -2.973 -2.449 5.517) 6.729 9.954 ( 3.661 8.506 -0.150) 9.261 10.253 ( -3.104 10.445 1.101) 10.952 11.031 ( -1.166 -1.447 4.141) 4.539 11.084 ( -2.877 0.881 6.034) 6.743 11.213 ( 5.372 -3.257 0.117) 6.283 11.320 ( -5.675 -3.892 6.349) 9.363 11.495 ( -4.233 1.832 -6.472) 7.947 11.568 ( -8.053 0.168 2.517) 8.439 11.771 ( -1.328 -1.505 -7.258) 7.530 11.997 ( -9.265 -2.066 3.036) 9.967 12.322 ( -12.498 -0.205 0.708) 12.520 12.455 ( -3.216 -1.193 -0.747) 3.511 13.916 ( 8.296 -3.999 5.097) 10.526 14.064 ( 12.008 -4.360 2.070) 12.941 14.301 ( 8.351 2.846 0.179) 8.824 14.463 ( 5.768 0.657 5.487) 7.988 21.925 ( 2.960 5.684 1.148) 6.510 22.124 ( 0.536 4.622 2.605) 5.332 22.508 ( -2.906 -5.402 2.499) 6.624 22.563 ( -1.561 1.386 3.106) 3.742 22.792 ( -2.491 1.743 -2.016) 3.648 23.026 ( -7.627 1.376 4.388) 8.906 23.117 ( 0.470 3.253 -1.437) 3.587 23.372 ( -0.861 -1.027 5.526) 5.686 23.539 ( -4.832 -2.607 -5.449) 7.736 23.810 ( 1.519 4.801 0.964) 5.127 23.945 ( 0.600 -0.205 -3.358) 3.417 24.097 ( -2.745 -0.778 -3.909) 4.839 24.315 ( 0.806 -1.892 -2.116) 2.951 24.334 ( -1.131 -0.459 -2.184) 2.501 24.966 ( 5.189 -0.659 10.073) 11.350 25.509 ( 7.550 -2.228 -10.649) 13.243 ======================= Grid point 202 (106/128) ======================= q-point: ( 0.44 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -4.964 2.418 3.566) 6.573 2.114 ( 6.547 10.515 -7.809) 14.642 2.153 ( -13.168 10.389 5.619) 17.689 2.392 ( 12.496 3.445 -9.916) 16.320 2.606 ( 2.035 8.242 7.748) 11.493 2.824 ( 5.588 2.728 -0.394) 6.231 2.964 ( -0.771 5.052 -0.637) 5.150 3.077 ( -0.729 1.970 -6.728) 7.049 3.143 ( 5.099 -2.326 -1.642) 5.840 3.227 ( -6.808 -9.259 0.770) 11.518 3.607 ( 10.686 3.993 -1.683) 11.531 3.694 ( -0.021 8.001 2.113) 8.275 3.895 ( 11.165 -5.313 -3.224) 12.779 4.004 ( 0.722 4.324 5.745) 7.227 4.126 ( -0.513 -7.895 -4.010) 8.870 4.199 ( 3.412 4.993 -4.045) 7.276 4.306 ( 4.664 0.778 -0.662) 4.774 4.456 ( -0.536 -4.811 -5.408) 7.258 4.696 ( 4.318 -2.682 1.674) 5.352 4.843 ( -5.451 -2.401 3.111) 6.720 4.946 ( -3.733 0.299 2.162) 4.324 5.037 ( 4.528 0.939 -8.507) 9.683 5.374 ( -2.900 -2.190 2.153) 4.223 5.505 ( -4.264 -1.844 -0.791) 4.712 5.594 ( -3.712 3.925 6.595) 8.525 5.823 ( 2.709 5.404 -4.576) 7.582 5.909 ( 0.946 3.226 1.339) 3.619 5.959 ( -2.114 1.234 0.742) 2.558 6.243 ( 2.100 -2.574 3.966) 5.174 6.335 ( 3.794 -0.389 -0.828) 3.903 6.406 ( 1.001 1.716 0.660) 2.093 6.539 ( -3.236 -5.970 -5.182) 8.542 6.976 ( -2.644 -2.424 8.486) 9.213 7.143 ( -0.552 2.529 -2.272) 3.445 7.245 ( 3.877 -2.125 -0.434) 4.443 7.610 ( -0.368 0.472 -13.617) 13.630 8.401 ( -7.699 -2.325 7.678) 11.119 8.682 ( 3.462 -4.201 -11.921) 13.105 9.211 ( -5.419 -2.343 7.055) 9.199 9.231 ( 6.098 -1.180 -1.329) 6.352 10.022 ( 3.438 9.143 1.653) 9.907 10.175 ( -3.862 10.712 -2.710) 11.705 11.076 ( -3.685 -0.603 8.350) 9.147 11.139 ( 3.745 -0.322 3.497) 5.134 11.257 ( -3.054 -2.676 0.978) 4.176 11.361 ( 2.120 -0.058 0.133) 2.125 11.366 ( -0.149 -0.756 -2.341) 2.465 11.473 ( -3.902 0.011 -1.162) 4.072 11.734 ( 4.874 -1.836 -3.898) 6.506 11.868 ( -7.373 -2.944 -2.275) 8.259 12.220 ( -6.622 -0.165 8.394) 10.693 12.407 ( 0.310 -1.552 -3.469) 3.813 14.076 ( 2.608 -3.724 6.092) 7.602 14.231 ( 5.864 -5.485 -1.910) 8.253 14.421 ( 5.515 3.198 2.876) 6.994 14.536 ( -2.473 1.222 2.350) 3.624 22.000 ( 3.915 5.536 1.706) 6.992 22.115 ( -2.605 5.440 -0.545) 6.056 22.506 ( -1.627 -3.429 3.216) 4.975 22.570 ( -0.845 -0.009 0.928) 1.255 22.770 ( 0.156 3.462 2.618) 4.343 22.971 ( -1.971 6.324 -1.542) 6.801 23.107 ( -3.087 -0.969 4.471) 5.519 23.379 ( -1.360 -4.550 -7.269) 8.683 23.488 ( 1.886 -1.984 6.983) 7.500 23.798 ( -0.652 2.283 -5.728) 6.200 23.926 ( 1.198 0.044 -0.215) 1.218 24.023 ( -1.646 1.385 -2.705) 3.456 24.300 ( -0.495 -0.861 -0.078) 0.996 24.313 ( 0.482 -0.693 -1.737) 1.931 25.134 ( -0.378 -1.352 11.032) 11.121 25.477 ( 5.123 -2.457 -11.841) 13.134 ======================= Grid point 203 (107/128) ======================= q-point: (-0.44 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -16.819 8.685 9.616) 21.231 2.013 ( -14.938 6.552 12.424) 20.504 2.217 ( 11.964 8.203 -5.137) 15.389 2.415 ( 9.756 1.985 -15.861) 18.727 2.742 ( -0.744 4.018 10.698) 11.452 2.822 ( -8.154 8.394 3.539) 12.227 2.886 ( -0.181 3.659 -13.782) 14.261 2.976 ( 4.048 6.337 -2.280) 7.858 3.149 ( -5.738 -7.265 4.360) 10.233 3.255 ( 4.200 -5.444 -0.118) 6.877 3.619 ( -9.893 5.309 -1.434) 11.318 3.727 ( 2.960 7.497 -1.331) 8.169 3.879 ( -15.675 -3.339 -3.259) 16.355 4.003 ( 1.166 -5.926 3.391) 6.927 4.084 ( -3.463 4.407 4.407) 7.130 4.158 ( -2.745 3.426 -3.917) 5.884 4.352 ( -0.480 -2.543 0.234) 2.598 4.394 ( 1.236 -0.026 -3.678) 3.880 4.741 ( -5.807 -6.052 -1.381) 8.500 4.833 ( 5.684 -2.869 4.236) 7.647 4.905 ( -5.319 -2.681 3.167) 6.747 5.009 ( 0.836 -1.267 -4.542) 4.789 5.354 ( -7.136 -0.584 8.114) 10.821 5.468 ( 0.217 1.365 -0.509) 1.473 5.653 ( -2.009 1.630 8.967) 9.333 5.744 ( -0.854 7.238 -5.483) 9.121 5.825 ( -5.179 3.237 4.146) 7.382 6.146 ( 19.658 0.671 -11.962) 23.021 6.290 ( -0.814 -2.186 2.150) 3.172 6.350 ( 1.578 -2.988 -3.859) 5.129 6.430 ( -2.502 -2.210 -2.141) 3.966 6.457 ( 3.367 -1.607 1.861) 4.169 7.036 ( -1.576 -1.331 5.603) 5.971 7.103 ( 1.062 -2.003 -1.962) 2.998 7.349 ( 1.055 -0.110 5.136) 5.244 7.434 ( 1.335 2.205 -11.802) 12.080 8.424 ( -3.635 -3.255 11.026) 12.057 8.617 ( 6.563 -3.786 -11.358) 13.653 9.183 ( -5.664 -1.334 3.619) 6.852 9.316 ( 6.277 -1.371 -2.538) 6.908 10.076 ( -3.287 9.789 -2.984) 10.749 10.111 ( 3.810 10.664 2.672) 11.636 11.109 ( -3.974 0.723 8.397) 9.318 11.182 ( -5.472 -2.296 -0.616) 5.966 11.279 ( 7.384 -0.892 -2.175) 7.750 11.305 ( 5.698 -0.458 -4.440) 7.238 11.417 ( -0.487 -1.222 -0.498) 1.406 11.482 ( 6.555 -0.132 0.404) 6.569 11.716 ( -6.617 -2.510 -2.589) 7.536 11.826 ( 8.380 -1.692 0.058) 8.549 12.268 ( -1.597 -0.894 9.391) 9.568 12.382 ( 3.597 -1.407 -5.732) 6.912 14.136 ( -4.652 -4.327 5.843) 8.632 14.202 ( -2.774 -3.710 -4.973) 6.796 14.440 ( -9.039 2.546 0.907) 9.434 14.562 ( 5.468 -0.301 0.923) 5.554 22.042 ( -3.081 6.398 -1.397) 7.238 22.096 ( 4.558 5.588 0.498) 7.229 22.514 ( -2.181 -1.722 2.916) 4.028 22.583 ( 3.572 -2.338 -1.547) 4.541 22.832 ( -1.267 6.124 5.347) 8.229 22.908 ( 1.700 7.912 -5.852) 9.987 23.159 ( -1.527 -3.857 11.472) 12.199 23.287 ( 2.788 -4.526 -9.093) 10.533 23.620 ( 0.937 -2.350 8.515) 8.882 23.677 ( -1.914 -1.000 -8.528) 8.798 23.956 ( -1.207 2.017 -0.073) 2.351 23.973 ( 0.663 2.035 -0.123) 2.144 24.295 ( -0.325 -0.856 0.357) 0.983 24.307 ( 0.491 -0.486 -0.737) 1.010 25.225 ( -4.694 -1.194 11.166) 12.171 25.393 ( 2.640 -3.069 -12.731) 13.359 ======================= Grid point 204 (108/128) ======================= q-point: (-0.33 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -17.353 13.107 11.267) 24.492 1.904 ( -20.634 3.368 15.778) 26.193 2.336 ( 8.767 3.736 -6.788) 11.700 2.390 ( 6.226 1.225 -8.080) 10.273 2.612 ( -14.459 7.959 4.967) 17.236 2.731 ( 0.975 6.914 -11.430) 13.394 2.875 ( -10.801 7.243 -0.057) 13.005 2.995 ( -3.319 2.607 9.210) 10.131 3.068 ( -4.475 -3.407 -1.053) 5.722 3.311 ( -2.020 -8.664 3.314) 9.494 3.390 ( -11.101 0.608 3.202) 11.569 3.600 ( -10.551 0.282 1.374) 10.644 3.701 ( -1.973 5.596 -3.830) 7.062 3.970 ( -14.240 -6.273 2.758) 15.803 4.015 ( -4.359 6.383 -3.575) 8.516 4.092 ( -1.314 5.891 3.505) 6.980 4.317 ( 0.600 -1.161 -3.609) 3.838 4.406 ( -0.698 -3.322 4.299) 5.477 4.650 ( -3.600 -2.919 -0.451) 4.657 4.852 ( -7.628 0.026 7.821) 10.925 4.934 ( 1.091 -2.486 -3.803) 4.673 4.992 ( 2.580 -3.847 4.047) 6.151 5.336 ( -4.358 -0.119 3.893) 5.845 5.430 ( -8.019 6.081 5.340) 11.393 5.681 ( 3.040 2.446 -2.823) 4.816 5.777 ( 6.037 -2.069 -0.817) 6.434 5.852 ( -1.020 6.183 5.850) 8.573 6.213 ( 4.218 3.002 -8.371) 9.843 6.280 ( -1.490 0.012 2.001) 2.494 6.295 ( 2.069 -5.762 -8.235) 10.261 6.441 ( 5.598 -0.652 -5.213) 7.678 6.554 ( 3.316 -6.210 3.884) 8.040 7.027 ( -1.752 -0.833 -0.537) 2.013 7.161 ( -0.157 -5.756 3.721) 6.856 7.229 ( 1.556 1.082 -11.550) 11.704 7.531 ( 1.934 1.070 8.466) 8.750 8.519 ( -0.461 -4.775 9.103) 10.290 8.642 ( 8.959 -2.675 -5.977) 11.097 9.122 ( -4.869 0.004 1.459) 5.083 9.362 ( 4.965 -1.407 -5.562) 7.587 9.983 ( -3.480 9.609 -2.773) 10.589 10.228 ( 5.580 11.532 3.014) 13.160 11.095 ( -1.766 -1.368 -2.675) 3.484 11.150 ( -2.964 -0.560 6.099) 6.804 11.266 ( 4.763 0.855 -8.767) 10.013 11.386 ( 0.026 -2.796 -3.793) 4.712 11.454 ( 8.501 -2.109 0.482) 8.772 11.592 ( 1.771 -2.939 2.262) 4.110 11.674 ( 7.823 2.093 0.073) 8.098 11.995 ( 10.381 -1.119 1.602) 10.564 12.369 ( 3.315 -1.704 4.118) 5.554 12.406 ( 6.469 -0.591 -2.616) 7.003 14.026 ( -9.705 -3.967 -3.368) 11.012 14.069 ( -10.671 -5.139 0.660) 11.863 14.272 ( -12.193 4.382 1.495) 13.043 14.590 ( -1.140 -3.249 -4.414) 5.598 21.971 ( -1.882 7.812 -2.873) 8.533 22.164 ( 2.792 5.135 -1.091) 5.946 22.519 ( -0.160 -4.954 1.537) 5.189 22.628 ( 3.266 0.811 -2.301) 4.076 22.796 ( 0.295 6.741 -2.788) 7.301 22.962 ( 1.776 6.826 5.091) 8.699 23.240 ( 4.956 -5.108 -7.777) 10.542 23.351 ( 6.461 -3.040 11.648) 13.662 23.525 ( -2.237 -1.907 -7.856) 8.388 23.738 ( -0.209 -0.293 7.695) 7.704 23.905 ( -1.849 1.307 -1.326) 2.625 24.021 ( 1.361 1.187 3.234) 3.704 24.296 ( -0.263 -0.886 0.278) 0.965 24.311 ( 0.627 -0.540 0.162) 0.843 25.197 ( -6.122 -3.739 -6.543) 9.709 25.297 ( -4.267 -0.314 3.880) 5.776 ======================= Grid point 205 (109/128) ======================= q-point: (-0.22 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -22.542 7.066 11.831) 26.421 1.750 ( -19.271 13.392 17.670) 29.377 2.254 ( -18.926 -1.454 -8.212) 20.682 2.338 ( -5.194 3.768 -7.110) 9.577 2.404 ( -0.936 2.998 -7.591) 8.215 2.592 ( -1.254 12.431 -12.441) 17.632 2.686 ( -13.325 8.854 20.796) 26.238 2.936 ( -4.760 -1.462 6.054) 7.839 3.105 ( -5.188 -3.120 3.723) 7.107 3.204 ( -10.936 -2.593 12.597) 16.882 3.481 ( 0.316 -1.312 1.217) 1.817 3.500 ( -1.635 -2.105 -2.692) 3.789 3.656 ( 3.942 1.822 -3.544) 5.605 3.758 ( -9.974 -5.456 7.291) 13.506 3.938 ( -2.327 3.902 0.547) 4.577 4.107 ( -1.168 6.151 1.427) 6.422 4.325 ( 5.482 0.049 -2.195) 5.905 4.467 ( 1.031 -4.756 5.408) 7.275 4.639 ( -0.957 -0.024 5.798) 5.876 4.842 ( -5.939 1.323 8.196) 10.207 4.887 ( -2.323 -1.799 -1.083) 3.131 5.096 ( 5.636 -0.441 0.170) 5.656 5.278 ( -6.744 1.407 3.557) 7.754 5.390 ( -6.007 1.750 6.158) 8.779 5.701 ( 4.251 3.616 -4.234) 7.006 5.813 ( 1.048 -4.229 -4.081) 5.970 5.895 ( -3.001 6.622 6.078) 9.476 6.140 ( 0.347 0.829 -7.249) 7.305 6.231 ( 0.706 -4.814 -7.260) 8.740 6.314 ( 3.129 0.218 -0.977) 3.285 6.434 ( 1.758 -0.177 -5.531) 5.806 6.619 ( 0.523 -7.518 1.019) 7.604 6.980 ( -1.750 -1.335 -2.176) 3.095 7.071 ( -4.402 0.805 -1.036) 4.593 7.259 ( 4.802 -5.611 -2.974) 7.962 7.609 ( -3.860 0.119 5.871) 7.027 8.619 ( 1.134 -4.461 6.533) 7.991 8.731 ( 7.873 -1.457 -3.829) 8.875 9.073 ( -3.816 0.562 2.489) 4.590 9.349 ( 3.564 -1.339 -7.860) 8.734 9.902 ( -2.951 9.785 -1.430) 10.320 10.316 ( 2.035 10.722 -2.206) 11.134 11.060 ( -1.100 -3.622 -1.807) 4.194 11.097 ( -3.222 0.578 -1.074) 3.445 11.233 ( 3.476 0.388 -7.636) 8.399 11.432 ( 6.897 -5.920 0.472) 9.102 11.575 ( 6.040 -1.187 -0.086) 6.157 11.703 ( 5.811 -3.423 6.442) 9.326 11.852 ( 14.412 4.715 -2.693) 15.401 12.189 ( 11.674 -0.266 -0.111) 11.678 12.502 ( 8.440 -1.260 3.006) 9.048 12.531 ( 8.965 -0.209 1.289) 9.059 13.794 ( -11.571 -4.518 -4.699) 13.281 13.858 ( -13.801 -4.623 -0.231) 14.557 14.067 ( -16.753 3.593 3.277) 17.444 14.393 ( -12.518 -3.600 -9.011) 15.838 21.914 ( -0.506 8.183 -3.098) 8.764 22.139 ( -1.525 5.007 -4.582) 6.956 22.534 ( -0.609 -5.922 1.132) 6.060 22.625 ( 2.275 0.776 -3.561) 4.297 22.834 ( 4.057 5.738 0.979) 7.095 23.041 ( -0.276 5.702 5.000) 7.589 23.261 ( 9.351 -4.879 -7.301) 12.828 23.435 ( 0.959 -1.490 -4.313) 4.662 23.604 ( 8.405 -1.859 4.702) 9.808 23.790 ( -0.381 4.979 1.011) 5.095 23.890 ( -1.424 -2.250 4.289) 5.048 24.112 ( 4.058 -1.229 4.578) 6.240 24.280 ( -1.598 -1.572 -0.902) 2.416 24.358 ( 3.642 -0.780 3.702) 5.251 24.930 ( -10.997 -1.508 -10.486) 15.269 25.278 ( -9.028 -0.169 9.192) 12.885 ======================= Grid point 206 (110/128) ======================= q-point: (-0.11 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -25.404 7.041 6.629) 27.183 1.678 ( -28.140 3.170 -10.724) 30.280 1.720 ( -11.316 18.643 18.226) 28.422 2.194 ( -1.684 9.008 -3.733) 9.895 2.422 ( 7.502 3.825 -0.967) 8.476 2.521 ( 4.397 6.914 -5.180) 9.694 2.727 ( -9.481 3.331 14.473) 17.619 2.969 ( -9.815 -3.292 8.824) 13.603 3.037 ( -15.682 -4.071 1.847) 16.307 3.112 ( 1.445 -0.220 8.166) 8.296 3.419 ( 0.057 8.248 -2.105) 8.512 3.536 ( 1.547 3.014 -0.174) 3.392 3.696 ( 6.643 -8.540 3.064) 11.244 3.864 ( 3.690 -8.658 3.604) 10.078 3.934 ( -0.081 -1.219 1.848) 2.215 4.115 ( -0.723 0.340 2.899) 3.007 4.443 ( 9.566 -0.283 -0.028) 9.570 4.582 ( 3.869 -3.461 6.697) 8.473 4.707 ( -3.199 -1.188 4.665) 5.780 4.808 ( -0.004 0.906 -1.823) 2.035 4.878 ( -6.170 4.372 11.620) 13.864 5.158 ( 4.169 4.644 -4.423) 7.649 5.256 ( -4.624 -1.299 9.588) 10.724 5.358 ( -3.217 -2.949 2.209) 4.892 5.710 ( -0.607 -0.518 -8.193) 8.232 5.731 ( 1.878 2.869 -3.059) 4.595 5.888 ( -4.080 6.272 1.836) 7.704 6.069 ( 0.760 -8.297 -13.496) 15.860 6.122 ( -2.368 0.837 -3.050) 3.951 6.258 ( -3.808 1.756 -4.967) 6.500 6.453 ( 2.927 -0.796 2.674) 4.044 6.613 ( 0.123 -5.480 -1.794) 5.768 6.943 ( -1.666 -1.051 1.463) 2.454 7.025 ( -1.789 0.460 0.842) 2.030 7.293 ( 6.278 -3.265 -4.937) 8.628 7.534 ( -9.782 0.167 1.210) 9.858 8.711 ( 0.800 -2.182 5.832) 6.278 8.801 ( 6.864 -0.392 -4.545) 8.242 9.049 ( -5.169 0.382 5.252) 7.379 9.301 ( 3.221 -1.374 -8.915) 9.578 9.862 ( -1.140 9.672 0.869) 9.778 10.213 ( -4.527 9.007 -8.942) 13.475 11.032 ( -3.137 -5.285 6.899) 9.240 11.103 ( 2.512 1.856 -1.037) 3.291 11.195 ( 1.359 0.262 -5.263) 5.442 11.506 ( 5.416 -9.268 -6.800) 12.707 11.662 ( 3.036 -1.572 1.895) 3.909 11.814 ( 5.926 -1.921 -5.747) 8.476 12.174 ( 21.464 3.846 4.507) 22.267 12.367 ( 8.889 1.014 0.154) 8.948 12.668 ( 8.593 0.170 0.985) 8.651 12.729 ( 6.940 -0.842 5.619) 8.970 13.573 ( -6.260 -4.718 -4.673) 9.126 13.651 ( -11.284 -4.561 1.171) 12.228 13.806 ( -17.645 2.882 2.820) 18.100 14.021 ( -18.540 -1.778 -6.231) 19.639 21.884 ( 0.731 7.541 -2.058) 7.851 22.032 ( -3.393 4.824 -4.984) 7.722 22.530 ( -1.611 -4.087 1.892) 4.783 22.623 ( 2.000 -2.096 -3.528) 4.565 22.912 ( 3.388 3.326 1.457) 4.967 23.063 ( -1.948 3.908 1.637) 4.664 23.368 ( 10.750 -4.184 -3.640) 12.096 23.464 ( 5.005 0.181 0.095) 5.009 23.689 ( -0.507 1.656 0.679) 1.860 23.764 ( -0.792 2.070 -3.497) 4.141 23.933 ( -0.485 -1.957 4.325) 4.772 24.170 ( -3.195 -5.634 -2.899) 7.096 24.236 ( 0.429 2.199 0.644) 2.331 24.427 ( -5.983 5.472 -0.176) 8.110 24.810 ( 10.983 -4.237 2.302) 11.995 25.207 ( -11.674 -0.983 7.205) 13.754 ======================= Grid point 207 (111/128) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 3.562 10.938 4.011) 12.182 1.397 ( -4.083 8.582 -6.717) 11.637 2.161 ( -4.872 16.266 14.761) 22.499 2.408 ( 4.408 12.945 -5.958) 14.917 2.592 ( 5.109 -1.464 3.638) 6.440 2.616 ( -4.572 1.174 -0.513) 4.748 2.740 ( -3.281 1.302 -3.472) 4.951 2.750 ( 2.839 -4.931 -3.072) 6.466 3.043 ( 6.587 4.828 13.598) 15.862 3.291 ( -7.503 7.009 -4.558) 11.234 3.473 ( 1.152 -5.236 4.301) 6.873 3.507 ( 1.454 -10.034 2.106) 10.355 3.784 ( 2.060 1.652 7.117) 7.591 3.833 ( 2.404 4.015 1.800) 5.014 3.940 ( 2.176 1.837 -1.790) 3.363 4.059 ( -0.319 2.637 -7.391) 7.854 4.503 ( -4.571 -3.288 5.487) 7.862 4.557 ( 0.148 -1.296 0.025) 1.304 4.793 ( 5.561 -0.590 5.165) 7.613 4.831 ( -1.140 0.245 -0.437) 1.246 5.028 ( -4.220 5.180 9.567) 11.669 5.183 ( -4.088 -9.207 8.032) 12.884 5.237 ( -0.340 1.270 -6.792) 6.918 5.260 ( -0.286 -4.608 6.708) 8.143 5.487 ( 0.377 -6.162 -7.381) 9.622 5.595 ( 1.246 -9.743 -12.948) 16.252 5.988 ( -2.076 9.457 0.601) 9.701 5.996 ( 0.503 9.004 0.149) 9.019 6.159 ( 0.107 0.746 1.578) 1.748 6.230 ( 2.427 2.709 -4.754) 5.986 6.472 ( -0.535 -3.017 0.739) 3.152 6.491 ( 1.989 -4.535 -1.393) 5.144 6.918 ( -3.278 -0.958 3.220) 4.694 7.005 ( 3.571 -1.714 -3.728) 5.440 7.316 ( -3.832 -0.722 3.149) 5.012 7.405 ( 5.259 -1.624 -4.673) 7.220 8.754 ( -0.482 -0.897 5.898) 5.986 8.834 ( 2.401 -1.736 -0.182) 2.969 9.063 ( -3.568 3.942 1.664) 5.572 9.229 ( 5.213 -0.798 -10.551) 11.796 10.122 ( 1.706 12.773 3.385) 13.323 10.244 ( -3.817 12.189 -7.843) 14.989 10.949 ( -1.374 -9.229 8.690) 12.751 11.080 ( -2.262 -5.215 -4.383) 7.179 11.181 ( -0.404 1.148 -0.305) 1.255 11.275 ( 2.195 -6.827 -6.764) 9.858 11.685 ( 0.863 -1.461 2.335) 2.886 11.764 ( 1.828 -2.684 -5.008) 5.969 12.475 ( -4.499 2.500 1.899) 5.486 12.498 ( 1.594 1.966 -0.357) 2.556 12.779 ( -1.815 -0.500 2.494) 3.125 12.815 ( 9.493 -1.766 -0.849) 9.693 13.397 ( -13.126 -1.872 5.614) 14.398 13.470 ( 2.657 -4.566 -0.929) 5.364 13.706 ( 2.025 0.242 0.661) 2.144 13.729 ( -1.515 -0.545 -1.642) 2.300 22.029 ( -0.080 7.013 0.210) 7.017 22.079 ( -0.551 9.189 -4.629) 10.304 22.438 ( -1.360 -5.457 3.361) 6.552 22.528 ( 0.243 -4.508 -4.992) 6.730 23.011 ( 1.315 1.060 1.984) 2.606 23.055 ( -3.121 0.659 -2.153) 3.848 23.435 ( 3.905 -2.646 3.033) 5.608 23.473 ( -3.613 -2.231 -0.046) 4.246 23.740 ( -2.382 3.986 0.726) 4.700 23.762 ( 1.777 4.339 -0.959) 4.785 23.933 ( -0.349 -1.136 1.877) 2.222 24.014 ( 3.045 -2.899 -5.552) 6.964 24.389 ( 0.653 6.473 4.805) 8.088 24.468 ( -1.813 7.652 -2.257) 8.181 24.908 ( -3.906 -6.808 7.654) 10.963 25.034 ( 6.180 -6.853 -4.122) 10.107 ======================= Grid point 208 (112/128) ======================= q-point: ( 0.11 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 20.447 10.920 -2.315) 23.296 1.624 ( 26.624 5.844 3.663) 27.503 2.224 ( -2.902 13.302 5.858) 14.821 2.390 ( 3.215 11.198 -6.685) 13.432 2.561 ( -1.585 1.846 0.592) 2.504 2.664 ( 0.946 1.527 -2.487) 3.068 2.753 ( 5.038 -3.130 3.349) 6.812 2.817 ( 7.321 3.331 -2.583) 8.448 3.137 ( 5.305 2.577 -7.575) 9.601 3.374 ( 9.275 4.084 9.230) 13.708 3.461 ( -0.941 -9.100 -1.023) 9.205 3.566 ( 3.584 -5.404 -3.629) 7.431 3.746 ( -4.967 3.703 -2.553) 6.701 3.863 ( -1.437 0.716 -0.674) 1.742 3.921 ( -0.213 5.036 -9.614) 10.856 4.045 ( 3.245 -0.992 3.981) 5.231 4.455 ( -6.380 2.101 2.936) 7.330 4.559 ( -2.824 -4.908 0.538) 5.688 4.756 ( -1.207 1.810 -2.436) 3.266 4.884 ( 1.634 -0.396 -4.742) 5.031 5.037 ( -8.660 0.312 13.441) 15.992 5.176 ( 3.237 2.923 -5.638) 7.128 5.276 ( 2.146 -9.170 3.345) 9.994 5.375 ( 7.838 -2.466 1.808) 8.413 5.471 ( 3.538 -5.951 -2.692) 7.428 5.562 ( 4.837 -9.203 2.907) 10.796 5.880 ( -7.367 8.955 0.932) 11.634 6.058 ( 2.396 9.882 1.160) 10.234 6.188 ( 1.731 2.417 0.948) 3.120 6.252 ( 4.850 1.441 -3.866) 6.368 6.431 ( -2.251 -3.872 0.282) 4.488 6.528 ( 2.087 -2.139 -3.024) 4.251 6.916 ( -1.690 -3.514 4.721) 6.123 7.002 ( 1.690 -1.952 -4.499) 5.187 7.253 ( -2.595 2.915 0.551) 3.941 7.537 ( 11.878 -3.956 -2.963) 12.865 8.764 ( -3.521 0.830 0.297) 3.629 8.831 ( 1.316 -1.035 -5.652) 5.895 9.043 ( -5.479 1.539 8.708) 10.403 9.190 ( 3.923 -1.340 -8.593) 9.541 10.134 ( -0.650 12.196 -3.297) 12.651 10.248 ( 4.833 12.221 7.114) 14.944 10.991 ( -2.489 -7.804 -2.973) 8.714 11.041 ( -1.608 -8.702 9.519) 12.996 11.156 ( -3.769 0.103 2.253) 4.392 11.225 ( 1.042 -3.008 -5.504) 6.358 11.676 ( -3.084 -0.976 -1.188) 3.446 11.730 ( -0.304 -2.183 -1.945) 2.940 12.281 ( -17.125 2.157 -0.513) 17.267 12.355 ( -15.265 -0.029 1.927) 15.387 12.698 ( -8.981 1.719 -0.199) 9.146 12.821 ( -8.427 -2.171 -4.857) 9.966 13.381 ( 5.877 -1.782 6.260) 8.770 13.539 ( 7.260 -5.919 2.227) 9.628 13.878 ( 16.479 1.025 0.025) 16.510 13.926 ( 16.976 -0.135 1.749) 17.066 22.010 ( -1.327 7.734 0.307) 7.853 22.089 ( 2.995 7.865 1.238) 8.506 22.443 ( -2.646 -5.584 1.949) 6.479 22.504 ( 1.167 -4.412 -0.008) 4.564 22.948 ( -5.595 0.593 0.013) 5.626 23.064 ( -2.014 -1.851 3.310) 4.294 23.345 ( -4.894 2.633 -2.248) 5.995 23.497 ( -2.883 0.580 0.228) 2.950 23.724 ( -1.167 1.432 1.512) 2.387 23.777 ( 1.268 3.884 -0.585) 4.127 23.952 ( 0.225 -0.844 1.204) 1.487 24.051 ( 8.071 -5.155 -4.432) 10.553 24.327 ( -5.453 5.375 -0.100) 7.657 24.536 ( 1.960 5.111 0.193) 5.478 24.761 ( -7.887 -1.460 1.460) 8.152 25.234 ( 14.790 -8.066 -3.876) 17.286 ======================= Grid point 209 (113/128) ======================= q-point: ( 0.22 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 22.771 8.408 -4.613) 24.708 2.128 ( 26.324 0.497 1.655) 26.381 2.262 ( 6.794 8.952 -1.404) 11.326 2.379 ( 0.512 6.354 1.494) 6.547 2.524 ( 1.509 9.243 -5.431) 10.826 2.634 ( 2.216 10.208 -6.217) 12.156 2.818 ( 0.126 -2.992 7.625) 8.192 3.004 ( 9.990 -0.800 2.704) 10.381 3.283 ( 4.992 -5.223 -2.886) 7.780 3.334 ( 10.245 4.598 -7.487) 13.497 3.504 ( -2.048 -5.892 -11.029) 12.671 3.550 ( 3.507 -1.180 -1.750) 4.093 3.722 ( -2.728 9.229 4.443) 10.600 3.785 ( 3.582 -0.142 -10.335) 10.939 3.905 ( 3.694 -0.143 4.505) 5.828 4.105 ( 0.523 -5.821 2.131) 6.221 4.378 ( -3.794 4.909 -0.596) 6.233 4.485 ( -3.343 -0.659 -0.573) 3.455 4.761 ( 1.865 2.551 -2.479) 4.016 4.819 ( -0.154 1.486 -2.630) 3.025 5.055 ( -5.945 0.208 8.545) 10.412 5.164 ( 5.168 1.770 -9.766) 11.190 5.300 ( 3.056 -6.867 -3.789) 8.417 5.505 ( 10.687 -0.658 -7.516) 13.082 5.573 ( 2.973 -4.388 8.234) 9.792 5.746 ( 3.041 -12.200 11.612) 17.115 5.795 ( -4.882 8.681 2.325) 10.227 6.094 ( 0.865 8.094 0.251) 8.144 6.230 ( 2.598 5.233 -1.313) 5.989 6.264 ( -0.642 -0.449 0.794) 1.116 6.421 ( -0.315 -4.650 1.279) 4.833 6.481 ( -1.365 1.187 -3.742) 4.156 6.959 ( -1.318 -2.409 -2.086) 3.449 6.984 ( 3.286 -6.837 2.982) 8.151 7.247 ( 2.307 4.897 -2.258) 5.865 7.673 ( 8.721 -5.016 -4.053) 10.847 8.640 ( -7.540 1.205 -4.263) 8.745 8.767 ( 0.197 -2.489 -6.630) 7.084 9.084 ( -4.018 -0.521 9.910) 10.706 9.155 ( 2.022 -2.048 -4.793) 5.591 10.124 ( 1.943 12.626 -0.506) 12.784 10.430 ( 3.367 12.587 9.143) 15.917 10.939 ( -1.116 -7.901 -0.229) 7.983 11.095 ( -1.727 -0.295 3.610) 4.013 11.126 ( -6.070 -4.168 6.300) 9.691 11.202 ( 1.584 -3.402 -0.420) 3.776 11.592 ( -3.226 -1.455 -3.234) 4.795 11.681 ( -4.272 -1.287 -0.317) 4.473 11.979 ( -14.670 2.082 -3.916) 15.326 12.123 ( -15.386 -1.414 3.167) 15.772 12.536 ( -9.311 -0.197 0.308) 9.318 12.557 ( -14.474 -1.151 -2.954) 14.817 13.614 ( 11.974 -2.497 4.302) 12.966 13.742 ( 12.607 -5.051 1.964) 13.722 14.150 ( 14.586 1.827 0.734) 14.718 14.233 ( 14.769 -0.346 3.656) 15.219 22.015 ( 0.261 7.545 1.876) 7.779 22.174 ( 2.837 7.816 4.119) 9.279 22.415 ( -2.339 -6.038 0.835) 6.529 22.544 ( 0.093 -1.681 4.041) 4.377 22.875 ( -4.596 0.423 2.202) 5.113 23.026 ( -7.717 -4.627 4.808) 10.202 23.264 ( -0.845 5.629 -5.115) 7.653 23.422 ( -3.252 2.926 -0.403) 4.393 23.661 ( -6.204 0.896 -1.960) 6.568 23.827 ( 2.883 2.002 1.661) 3.883 23.968 ( 1.081 0.393 -0.600) 1.297 24.110 ( 3.769 -6.958 -5.496) 9.635 24.265 ( -0.805 1.657 -0.453) 1.897 24.419 ( -7.016 -1.830 -3.562) 8.079 24.830 ( 6.426 6.799 4.699) 10.469 25.382 ( 10.457 -6.764 -6.251) 13.935 ======================= Grid point 210 (114/128) ======================= q-point: ( 0.33 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 7.644 6.226 -4.516) 10.844 2.331 ( 3.357 7.337 -1.096) 8.143 2.400 ( 14.628 6.618 -15.560) 22.358 2.413 ( 0.366 4.788 -1.048) 4.915 2.647 ( 11.582 8.203 3.317) 14.575 2.712 ( 8.107 2.112 9.930) 12.992 2.911 ( -2.776 -0.770 9.825) 10.238 3.031 ( 0.559 2.908 -9.133) 9.601 3.263 ( -1.267 4.155 -3.043) 5.303 3.342 ( -0.154 -4.500 -9.500) 10.513 3.526 ( 7.179 -3.422 -6.113) 10.031 3.610 ( 14.400 2.001 -1.524) 14.618 3.713 ( 5.174 4.412 2.899) 7.392 3.841 ( 2.359 -1.793 5.069) 5.872 4.035 ( 4.172 -1.817 2.130) 5.024 4.149 ( 3.294 -7.054 1.134) 7.867 4.345 ( 1.897 3.958 -1.335) 4.587 4.447 ( -0.794 5.540 -1.527) 5.801 4.713 ( 0.287 3.618 -4.947) 6.136 4.854 ( 1.860 2.306 1.902) 3.521 5.037 ( -4.133 0.837 1.058) 4.348 5.106 ( 3.619 1.789 -11.076) 11.788 5.314 ( 2.477 -5.028 -1.338) 5.762 5.545 ( -0.380 -1.693 -3.837) 4.211 5.661 ( 3.483 -3.530 0.535) 4.988 5.743 ( -3.508 4.779 2.038) 6.269 5.907 ( -1.231 -8.097 9.840) 12.803 6.097 ( -0.929 8.220 0.380) 8.281 6.236 ( 2.772 5.973 -3.376) 7.400 6.279 ( -1.582 -2.173 4.300) 5.071 6.428 ( 1.246 -1.188 -4.491) 4.809 6.434 ( 0.178 -3.888 0.110) 3.893 6.923 ( -2.740 -1.600 2.474) 4.023 7.072 ( 4.377 -7.617 0.523) 8.801 7.257 ( 2.742 6.440 -3.223) 7.706 7.705 ( 3.592 -3.574 -7.804) 9.305 8.460 ( -8.633 -0.611 -1.526) 8.788 8.673 ( -0.205 -5.532 -8.811) 10.406 9.137 ( -0.835 -0.785 5.601) 5.717 9.155 ( 0.264 -1.836 1.461) 2.361 10.175 ( 3.267 13.289 1.459) 13.762 10.512 ( -3.212 14.468 3.304) 15.184 10.956 ( 0.507 -6.972 3.539) 7.835 11.097 ( -3.433 -0.488 4.587) 5.750 11.156 ( 2.382 -1.612 5.125) 5.877 11.234 ( -1.155 -4.118 3.437) 5.487 11.494 ( -2.078 -1.095 -5.902) 6.353 11.586 ( -6.721 0.307 -0.001) 6.728 11.747 ( -6.087 -0.072 -4.443) 7.537 11.941 ( -11.251 -3.428 2.620) 12.050 12.321 ( -11.176 0.295 0.529) 11.193 12.421 ( -4.437 -2.139 -0.806) 4.991 13.845 ( 8.884 -2.520 4.781) 10.399 13.967 ( 11.134 -5.079 1.643) 12.347 14.355 ( 8.906 2.530 0.886) 9.300 14.464 ( 7.207 -0.650 3.575) 8.072 22.059 ( 1.556 7.055 2.772) 7.738 22.252 ( 0.039 7.604 3.004) 8.176 22.403 ( -0.650 -4.342 2.581) 5.093 22.596 ( -0.750 1.566 5.242) 5.522 22.838 ( -4.063 1.794 2.545) 5.119 22.963 ( -6.615 -4.893 5.914) 10.133 23.193 ( 0.578 1.839 -4.754) 5.130 23.408 ( 0.212 2.874 1.489) 3.244 23.491 ( -7.026 0.259 -7.027) 9.940 23.892 ( 2.214 1.439 1.985) 3.304 23.939 ( 0.443 0.486 -8.146) 8.173 24.062 ( -0.809 -2.732 -1.520) 3.230 24.275 ( 1.263 -1.499 -0.704) 2.083 24.320 ( -1.522 -1.008 -1.790) 2.557 24.995 ( 4.541 4.134 6.601) 9.016 25.432 ( 6.468 -5.567 -8.229) 11.855 ======================= Grid point 211 (115/128) ======================= q-point: ( 0.44 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -6.028 5.724 5.807) 10.140 2.305 ( 3.220 5.705 -11.228) 13.000 2.386 ( -1.511 13.488 2.220) 13.753 2.478 ( 11.811 4.820 -10.699) 16.649 2.795 ( -0.036 8.315 6.239) 10.395 2.912 ( -2.541 -11.161 6.395) 13.112 2.953 ( 4.894 6.629 -5.492) 9.902 3.023 ( 3.762 0.138 6.683) 7.671 3.130 ( -2.501 -0.448 -8.961) 9.314 3.225 ( -2.653 6.423 -3.983) 8.010 3.644 ( 10.407 -4.488 -0.060) 11.334 3.824 ( 7.341 5.523 2.083) 9.420 3.849 ( 4.676 0.465 1.822) 5.040 3.952 ( 0.713 -1.667 1.995) 2.696 4.049 ( -1.719 -3.938 3.304) 5.421 4.225 ( 2.562 -3.359 -0.547) 4.259 4.397 ( 0.813 9.718 -1.411) 9.854 4.419 ( 3.350 2.063 -1.112) 4.088 4.688 ( 3.529 1.087 -2.194) 4.295 4.866 ( -6.968 3.726 4.017) 8.864 4.920 ( -6.036 -1.524 -4.890) 7.916 5.037 ( 5.073 0.802 -10.833) 11.988 5.342 ( -3.183 -1.782 5.972) 6.998 5.434 ( -6.326 -3.467 0.133) 7.215 5.667 ( -4.751 1.367 4.834) 6.914 5.815 ( 10.446 -6.556 -4.126) 13.005 5.943 ( -3.181 1.053 4.731) 5.797 6.078 ( 0.846 8.336 -2.817) 8.839 6.237 ( 0.735 2.426 -1.245) 2.824 6.307 ( -0.560 -4.397 2.972) 5.337 6.384 ( 0.927 -5.168 -6.445) 8.313 6.434 ( 1.452 -0.855 -2.614) 3.110 6.945 ( -0.768 -0.481 6.021) 6.088 7.122 ( 2.871 -3.819 -3.688) 6.036 7.278 ( 1.376 5.359 2.888) 6.242 7.611 ( -0.086 -0.984 -11.503) 11.546 8.350 ( -6.568 -2.244 4.472) 8.256 8.566 ( 1.951 -7.019 -10.262) 12.585 9.172 ( -3.718 -1.229 6.102) 7.250 9.206 ( 5.451 -1.275 -1.076) 5.700 10.262 ( 4.065 14.285 2.814) 15.117 10.441 ( -4.773 14.933 -2.128) 15.821 11.028 ( 0.840 -5.219 5.969) 7.973 11.116 ( -0.918 -2.819 4.347) 5.262 11.213 ( -3.287 -1.289 1.786) 3.956 11.298 ( 2.357 -3.366 6.721) 7.877 11.391 ( 1.645 1.165 -8.816) 9.044 11.482 ( -4.139 0.756 -1.220) 4.381 11.688 ( 3.313 -2.409 -2.362) 4.729 11.794 ( -8.395 -4.163 -0.391) 9.379 12.222 ( -5.531 0.587 5.672) 7.944 12.363 ( -0.221 -2.779 -2.847) 3.985 14.008 ( 3.007 -2.539 5.384) 6.669 14.119 ( 5.605 -5.414 -0.736) 7.828 14.473 ( 3.472 2.105 2.353) 4.693 14.548 ( -0.326 -0.064 1.349) 1.390 22.128 ( 2.520 6.356 2.867) 7.414 22.239 ( -2.291 5.447 -0.551) 5.935 22.463 ( 2.154 0.729 4.369) 4.926 22.611 ( -3.083 4.179 0.844) 5.262 22.836 ( -0.559 1.383 6.299) 6.473 22.964 ( -3.573 -4.337 7.379) 9.276 23.161 ( 1.480 2.033 -5.089) 5.676 23.291 ( -3.034 -2.744 -10.480) 11.250 23.465 ( 1.048 1.186 6.095) 6.297 23.804 ( -1.211 -2.213 -11.159) 11.440 23.955 ( 1.602 2.786 2.751) 4.230 24.049 ( -0.394 0.947 -0.768) 1.281 24.276 ( -0.115 -1.244 -0.142) 1.258 24.296 ( 0.261 -1.032 -1.257) 1.647 25.126 ( 0.475 1.115 8.009) 8.101 25.404 ( 3.266 -4.758 -9.449) 11.072 ======================= Grid point 212 (116/128) ======================= q-point: (-0.44 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -12.541 6.797 13.555) 19.678 2.195 ( -6.093 9.526 -3.720) 11.904 2.384 ( 1.412 6.833 -2.444) 7.393 2.501 ( 4.862 6.609 -8.904) 12.108 2.819 ( -5.053 2.620 6.222) 8.433 2.905 ( -4.269 -3.289 3.903) 6.654 2.961 ( 0.741 2.486 -5.689) 6.253 3.052 ( 2.942 -1.989 -2.889) 4.578 3.117 ( 0.529 3.519 4.463) 5.708 3.184 ( 3.870 5.568 -5.731) 8.878 3.717 ( -13.122 -1.650 -3.863) 13.778 3.812 ( -1.937 -5.894 0.421) 6.219 3.840 ( -5.939 2.778 3.317) 7.347 3.935 ( 1.063 10.980 -1.586) 11.145 4.134 ( -1.727 -3.132 8.040) 8.800 4.187 ( -2.728 -3.619 -4.979) 6.732 4.351 ( -4.930 6.294 2.401) 8.348 4.448 ( 1.719 6.555 -3.386) 7.576 4.688 ( -8.449 -0.216 -0.492) 8.466 4.794 ( 3.033 -3.284 4.843) 6.591 4.844 ( -4.112 -1.415 4.707) 6.408 5.007 ( 3.054 3.439 -7.941) 9.177 5.320 ( -7.830 -2.495 8.168) 11.586 5.440 ( 2.628 -2.401 2.460) 4.328 5.636 ( -5.089 -3.697 5.356) 8.261 5.895 ( 7.277 1.473 -9.556) 12.102 5.940 ( -3.193 7.521 5.019) 9.589 6.107 ( 10.557 -2.070 -8.435) 13.671 6.242 ( -1.557 -1.339 3.504) 4.062 6.311 ( 0.759 -1.052 -5.493) 5.644 6.356 ( 0.168 -5.010 4.391) 6.664 6.405 ( 0.801 -3.625 -4.285) 5.670 7.023 ( 1.155 0.578 4.912) 5.079 7.079 ( 0.694 -0.200 -6.779) 6.817 7.359 ( -2.577 1.239 6.335) 6.950 7.473 ( 2.026 1.222 -8.698) 9.014 8.347 ( -3.639 -3.811 8.374) 9.894 8.510 ( 5.487 -6.627 -8.483) 12.083 9.170 ( -2.694 0.293 2.360) 3.593 9.281 ( 6.579 -2.042 -3.538) 7.745 10.322 ( -4.212 14.204 -2.148) 14.970 10.384 ( 5.338 15.591 1.968) 16.596 11.085 ( -2.966 -5.332 2.962) 6.782 11.133 ( -1.137 -2.504 1.034) 2.938 11.229 ( 3.015 -2.023 5.908) 6.934 11.317 ( 3.133 0.604 -6.819) 7.528 11.387 ( -1.056 -1.344 -0.968) 1.964 11.471 ( 6.356 -1.339 -1.888) 6.764 11.666 ( -4.623 -1.654 0.209) 4.914 11.782 ( 8.768 -2.628 -0.232) 9.156 12.251 ( -1.145 -0.585 7.069) 7.185 12.343 ( 3.343 -2.432 -4.487) 6.101 14.058 ( -4.587 -3.137 4.393) 7.084 14.114 ( -2.550 -4.535 -3.955) 6.535 14.485 ( -6.950 1.727 1.599) 7.337 14.550 ( 0.522 -0.906 1.392) 1.741 22.176 ( -1.932 6.034 -0.515) 6.356 22.220 ( 3.773 5.249 0.281) 6.470 22.531 ( -2.443 4.173 -0.651) 4.880 22.582 ( 4.624 2.976 1.520) 5.705 22.935 ( -1.333 2.198 6.826) 7.293 23.018 ( 3.848 -2.587 2.161) 5.116 23.091 ( -2.826 2.216 -0.867) 3.695 23.182 ( 2.636 -4.512 -7.037) 8.765 23.578 ( 0.487 -1.537 8.888) 9.033 23.646 ( -1.849 -1.965 -9.659) 10.029 24.004 ( -0.365 2.556 1.219) 2.856 24.019 ( -0.030 2.335 -1.202) 2.627 24.275 ( -0.324 -1.037 0.552) 1.219 24.291 ( 0.698 -1.088 -1.031) 1.653 25.202 ( -3.670 -0.780 8.632) 9.412 25.319 ( 0.576 -4.004 -9.374) 10.209 ======================= Grid point 213 (117/128) ======================= q-point: (-0.33 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -12.558 12.567 7.851) 19.424 2.004 ( -17.907 6.824 12.560) 22.912 2.379 ( 2.316 -0.811 -3.845) 4.561 2.437 ( -2.716 4.004 -4.409) 6.546 2.753 ( -9.390 6.391 -2.363) 11.602 2.837 ( -5.605 -6.959 1.023) 8.994 2.910 ( -1.316 6.395 -1.548) 6.710 3.080 ( 0.522 -4.047 -1.793) 4.457 3.152 ( -8.982 5.985 8.004) 13.437 3.176 ( 3.871 8.110 -3.768) 9.744 3.448 ( -9.055 2.419 1.000) 9.425 3.618 ( -12.941 3.646 -0.775) 13.467 3.736 ( -11.331 -4.325 0.216) 12.130 3.924 ( -4.065 4.915 -1.024) 6.459 4.059 ( -7.848 -3.103 0.247) 8.443 4.161 ( 0.331 -1.540 0.702) 1.725 4.319 ( -0.648 2.845 0.707) 3.002 4.431 ( 0.409 6.967 -0.709) 7.015 4.632 ( -1.227 0.662 2.385) 2.763 4.840 ( -5.020 -2.169 10.720) 12.034 4.888 ( -5.866 -1.071 0.795) 6.015 4.963 ( 2.475 3.179 4.496) 6.037 5.291 ( -6.479 -4.265 5.802) 9.687 5.487 ( -0.719 0.975 0.394) 1.274 5.675 ( 4.561 -4.173 -0.504) 6.203 5.836 ( 3.216 6.198 -7.537) 10.275 6.005 ( -1.949 6.077 6.647) 9.214 6.114 ( 2.604 -9.656 -8.157) 12.905 6.256 ( 1.509 1.094 -4.016) 4.427 6.285 ( -0.408 0.274 3.538) 3.572 6.381 ( 1.633 -6.585 -1.484) 6.945 6.434 ( 3.338 -3.637 0.621) 4.976 7.015 ( 0.815 -0.938 -5.124) 5.273 7.065 ( -1.188 -1.955 0.858) 2.443 7.269 ( -2.907 2.932 -4.655) 6.222 7.537 ( 0.847 -0.878 6.683) 6.794 8.414 ( 0.186 -4.812 7.149) 8.619 8.553 ( 6.784 -6.045 -1.582) 9.223 9.145 ( -0.996 2.333 -1.177) 2.796 9.325 ( 6.358 -2.258 -7.224) 9.885 10.221 ( -3.493 13.791 -3.024) 14.545 10.514 ( 6.011 15.634 2.163) 16.889 11.024 ( -2.114 -6.158 -3.187) 7.249 11.151 ( -1.044 0.178 2.545) 2.757 11.285 ( 3.078 0.856 -7.921) 8.541 11.324 ( -0.622 -2.964 -4.966) 5.817 11.388 ( 7.604 -3.908 3.763) 9.340 11.517 ( -1.020 -4.447 4.183) 6.190 11.731 ( 11.502 3.634 -0.531) 12.074 11.961 ( 12.374 -2.347 0.153) 12.596 12.336 ( 3.433 -1.386 3.731) 5.257 12.382 ( 6.313 -1.672 -1.349) 6.669 13.944 ( -10.415 -3.635 -2.609) 11.336 13.974 ( -10.236 -4.204 -0.446) 11.075 14.347 ( -11.529 3.122 1.353) 12.020 14.518 ( -6.272 -3.581 -0.456) 7.237 22.124 ( -1.054 6.655 -2.962) 7.360 22.291 ( 3.860 5.409 -0.554) 6.668 22.465 ( -1.531 1.231 -3.271) 3.816 22.686 ( 4.335 4.959 -1.327) 6.719 22.907 ( 1.654 3.055 -4.657) 5.810 23.064 ( 1.409 1.504 2.580) 3.302 23.119 ( 1.544 -5.805 -3.509) 6.957 23.284 ( 8.306 -2.915 10.687) 13.845 23.499 ( -1.876 0.263 -6.323) 6.601 23.711 ( -0.147 -2.363 10.315) 10.583 23.952 ( -1.626 3.158 -3.017) 4.661 24.045 ( 0.386 0.990 1.485) 1.826 24.275 ( -0.194 -1.011 -0.171) 1.043 24.294 ( 0.584 -1.089 0.165) 1.247 25.143 ( -6.337 -1.350 -5.293) 8.366 25.263 ( -4.107 -2.784 5.329) 7.281 ======================= Grid point 214 (118/128) ======================= q-point: (-0.22 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -22.058 10.818 6.885) 25.514 2.012 ( -12.593 11.081 19.619) 25.813 2.212 ( -17.842 -2.695 -5.245) 18.791 2.382 ( -1.314 0.419 -0.565) 1.491 2.518 ( -5.394 8.726 -6.825) 12.321 2.689 ( -5.731 -1.923 -5.429) 8.125 2.920 ( -5.591 -1.986 5.238) 7.915 2.998 ( -5.404 8.273 -3.536) 10.495 3.050 ( -8.208 8.127 13.583) 17.830 3.237 ( -7.632 5.299 7.555) 11.975 3.391 ( -1.964 -6.249 -3.027) 7.216 3.470 ( -2.839 1.799 2.708) 4.316 3.628 ( -3.923 -2.484 5.090) 6.889 3.830 ( 0.208 8.470 -3.750) 9.266 3.949 ( -6.577 -3.031 1.181) 7.337 4.160 ( 0.672 -2.742 -3.326) 4.363 4.353 ( 3.151 3.041 1.579) 4.655 4.452 ( 1.178 4.204 2.208) 4.892 4.665 ( -1.070 2.989 5.466) 6.321 4.799 ( -3.360 -1.904 0.349) 3.878 4.902 ( -4.675 1.324 12.109) 13.047 5.090 ( 2.735 0.113 6.860) 7.386 5.240 ( -4.816 -5.519 1.785) 7.539 5.433 ( -4.047 2.765 -1.509) 5.128 5.707 ( 1.096 -5.654 -3.855) 6.930 5.834 ( 3.036 5.524 -2.759) 6.881 5.959 ( -3.820 -8.582 -4.868) 10.580 6.073 ( -1.485 4.282 -0.062) 4.532 6.218 ( -1.190 1.866 -2.313) 3.201 6.337 ( 2.579 -0.049 -2.011) 3.270 6.386 ( -0.485 -5.057 2.020) 5.467 6.482 ( 3.289 -3.380 -1.313) 4.896 6.971 ( -0.440 0.028 -3.556) 3.583 7.018 ( -2.451 -4.662 -0.631) 5.304 7.224 ( 1.091 2.269 -1.118) 2.755 7.582 ( -4.551 -3.321 4.763) 7.378 8.526 ( 2.632 -3.877 7.246) 8.629 8.666 ( 5.484 -4.980 2.242) 7.739 9.116 ( 0.246 3.602 -2.427) 4.350 9.317 ( 5.539 -1.881 -10.072) 11.647 10.140 ( -2.365 13.655 -2.154) 14.025 10.582 ( 0.933 14.770 -3.342) 15.172 10.932 ( -4.174 -8.500 -2.751) 9.860 11.144 ( 0.960 2.995 -1.663) 3.558 11.240 ( 2.593 0.246 -6.863) 7.341 11.296 ( 3.546 -7.340 -4.026) 9.091 11.526 ( 4.339 -3.209 2.110) 5.794 11.623 ( 5.376 -4.490 6.577) 9.608 11.954 ( 16.865 5.329 -1.715) 17.770 12.176 ( 14.284 -1.231 -1.459) 14.411 12.478 ( 8.369 -0.993 4.175) 9.405 12.515 ( 9.071 -1.280 1.833) 9.342 13.705 ( -12.648 -3.606 -3.709) 13.665 13.766 ( -13.558 -4.362 -0.307) 14.246 14.134 ( -16.568 3.079 1.703) 16.937 14.316 ( -15.312 -3.747 -3.033) 16.053 22.074 ( -0.252 7.088 -3.454) 7.889 22.292 ( 0.169 9.650 -6.245) 11.496 22.420 ( -0.348 -4.850 -0.524) 4.891 22.661 ( 0.590 1.905 -6.161) 6.476 22.931 ( 3.604 3.056 -2.716) 5.451 23.122 ( 2.742 -2.297 -0.839) 3.674 23.146 ( 5.001 -1.265 2.382) 5.682 23.421 ( 0.486 -0.395 -0.792) 1.010 23.583 ( 10.404 0.404 5.546) 11.797 23.821 ( -1.848 -3.864 8.915) 9.891 23.894 ( -0.713 4.519 -2.098) 5.033 24.073 ( 1.887 -2.418 0.338) 3.086 24.260 ( -0.441 -0.123 -0.631) 0.780 24.335 ( 2.822 -1.430 3.601) 4.793 24.938 ( -9.449 2.535 -5.511) 11.228 25.241 ( -8.072 -3.656 6.680) 11.097 ======================= Grid point 215 (119/128) ======================= q-point: (-0.11 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -21.278 11.467 5.485) 24.786 1.735 ( -22.596 2.072 -6.961) 23.735 2.079 ( -7.860 14.878 14.826) 22.427 2.381 ( 1.659 8.130 0.746) 8.331 2.476 ( 3.350 4.071 1.939) 5.618 2.624 ( 0.446 -1.322 1.031) 1.735 2.832 ( -6.098 5.047 -4.770) 9.242 2.860 ( -5.603 -5.510 0.949) 7.915 3.009 ( -15.644 4.373 4.095) 16.752 3.227 ( 2.130 7.073 14.387) 16.172 3.456 ( -0.182 -5.596 4.719) 7.322 3.503 ( -0.999 -6.069 1.946) 6.452 3.613 ( 0.541 3.342 4.707) 5.798 3.850 ( -1.365 6.042 -1.015) 6.277 3.900 ( 4.919 1.629 -2.244) 5.647 4.118 ( -0.576 -1.605 -2.640) 3.143 4.443 ( 2.345 -0.527 4.758) 5.330 4.535 ( 3.997 0.467 2.554) 4.766 4.688 ( -2.491 0.486 4.303) 4.995 4.804 ( 1.670 -0.768 1.818) 2.585 4.967 ( -4.209 3.953 10.743) 12.196 5.190 ( -1.607 -1.563 3.566) 4.212 5.207 ( -2.803 -6.125 6.973) 9.696 5.331 ( -2.427 2.705 -5.673) 6.738 5.613 ( -1.472 -6.430 -9.658) 11.696 5.764 ( -4.346 -13.739 -8.167) 16.564 5.917 ( 5.789 7.371 -2.964) 9.830 6.048 ( -2.905 6.388 1.586) 7.194 6.167 ( -2.814 2.410 0.465) 3.734 6.285 ( -1.456 -0.032 -4.326) 4.564 6.430 ( 1.489 -1.107 1.454) 2.357 6.506 ( 1.062 -3.908 -1.144) 4.209 6.932 ( -1.845 -0.075 0.891) 2.050 6.995 ( 1.250 -2.904 -1.926) 3.702 7.257 ( 4.245 0.041 -0.828) 4.325 7.504 ( -8.169 -3.470 0.885) 8.920 8.658 ( 1.405 -2.172 8.224) 8.622 8.770 ( 3.994 -2.977 1.724) 5.272 9.094 ( -0.446 3.911 -1.218) 4.121 9.275 ( 5.192 -1.237 -11.108) 12.324 10.097 ( -0.759 13.392 -0.215) 13.415 10.442 ( -5.647 12.950 -10.029) 17.325 10.892 ( -2.458 -8.484 5.292) 10.297 11.147 ( 1.172 1.671 -3.217) 3.810 11.193 ( 0.250 -1.275 -3.408) 3.648 11.305 ( 4.561 -9.125 -7.003) 12.373 11.617 ( 3.277 -2.242 2.633) 4.764 11.753 ( 5.163 -4.052 -1.496) 6.731 12.261 ( 20.117 4.502 0.841) 20.631 12.387 ( 12.061 0.701 -0.893) 12.114 12.667 ( 7.699 -0.250 2.908) 8.234 12.705 ( 6.448 -1.450 5.443) 8.562 13.486 ( -6.999 -3.296 -2.861) 8.249 13.559 ( -10.141 -4.449 0.096) 11.074 13.857 ( -17.860 2.252 1.394) 18.056 13.980 ( -19.307 -2.165 -2.591) 19.600 22.038 ( 0.296 7.248 -2.422) 7.647 22.181 ( -2.257 9.661 -7.178) 12.246 22.424 ( -0.510 -5.865 1.548) 6.087 22.594 ( 0.186 -1.773 -5.993) 6.252 22.956 ( 3.050 1.118 -0.743) 3.333 23.128 ( -1.160 0.477 -1.956) 2.324 23.283 ( 7.621 -1.767 2.601) 8.244 23.470 ( 2.679 -0.213 2.422) 3.617 23.731 ( 2.740 2.428 1.823) 4.090 23.794 ( -3.087 0.642 -1.970) 3.718 23.915 ( -0.566 0.569 2.949) 3.056 24.066 ( -0.231 -4.698 -4.726) 6.668 24.292 ( 3.022 3.240 2.547) 5.111 24.494 ( 5.195 0.127 4.941) 7.170 24.768 ( -2.230 1.636 0.132) 2.768 25.150 ( -10.655 -4.796 3.984) 12.345 ======================= Grid point 216 (120/128) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 1.302 6.151 1.279) 6.416 1.511 ( -0.710 2.131 -2.826) 3.610 2.405 ( -2.300 8.403 11.916) 14.761 2.515 ( -3.951 -2.371 4.944) 6.758 2.607 ( 2.186 -0.365 0.639) 2.307 2.629 ( 1.277 -1.298 1.403) 2.299 2.708 ( 1.715 6.778 -5.027) 8.611 2.789 ( 2.975 1.342 -6.912) 7.644 3.075 ( 2.276 -0.003 8.218) 8.528 3.197 ( 0.066 -11.491 1.831) 11.637 3.381 ( -1.209 2.207 -2.094) 3.273 3.451 ( -1.053 -2.344 -5.142) 5.748 3.911 ( 4.546 3.871 5.146) 7.882 3.921 ( 1.472 5.129 4.692) 7.105 4.036 ( -1.245 7.365 3.418) 8.214 4.133 ( 0.842 1.137 -0.729) 1.591 4.483 ( -3.852 1.889 6.507) 7.794 4.543 ( -3.417 -1.225 1.942) 4.117 4.751 ( 0.435 -0.614 3.601) 3.679 4.826 ( -1.196 -2.719 -2.624) 3.963 5.026 ( -5.590 -4.087 6.741) 9.664 5.046 ( -2.545 -3.408 6.208) 7.525 5.228 ( 1.566 5.161 1.753) 5.671 5.289 ( 0.984 1.960 -7.810) 8.112 5.363 ( -0.790 -5.391 -7.171) 9.006 5.388 ( 6.259 -9.775 -6.865) 13.485 6.121 ( -5.013 4.415 2.827) 7.254 6.165 ( 3.326 5.039 2.039) 6.373 6.167 ( -1.145 1.284 0.676) 1.848 6.252 ( 3.900 -1.446 -3.025) 5.143 6.423 ( -0.737 -1.403 -1.637) 2.278 6.429 ( 0.838 -1.529 -1.586) 2.357 6.921 ( -1.837 1.298 0.718) 2.361 6.962 ( 2.253 -2.408 -2.631) 4.219 7.313 ( -0.424 0.860 1.523) 1.799 7.355 ( 2.718 -2.950 -2.192) 4.571 8.755 ( -0.463 1.035 6.589) 6.685 8.790 ( 0.340 -2.263 4.149) 4.738 9.150 ( 1.144 4.006 -4.906) 6.436 9.207 ( 4.059 -1.779 -8.846) 9.894 10.376 ( 0.615 11.759 2.365) 12.011 10.466 ( -2.808 6.881 -5.999) 9.551 10.778 ( -1.425 -4.906 4.605) 6.878 10.888 ( -2.419 -11.582 -5.620) 13.099 11.203 ( 0.210 0.921 -1.271) 1.584 11.218 ( 0.532 -0.744 -2.589) 2.746 11.672 ( 1.557 0.541 0.938) 1.897 11.707 ( 1.648 -2.683 -2.309) 3.905 12.516 ( -3.770 1.352 1.485) 4.271 12.524 ( -1.847 0.495 0.597) 2.003 12.772 ( 3.310 -0.023 0.798) 3.405 12.783 ( 6.635 -1.189 -0.330) 6.749 13.378 ( -8.232 0.021 3.675) 9.015 13.400 ( -3.085 -2.287 1.678) 4.191 13.711 ( 1.228 0.301 -0.261) 1.291 13.719 ( 0.129 -0.454 -1.020) 1.124 22.173 ( -0.899 7.268 1.983) 7.587 22.255 ( -0.387 6.806 -5.442) 8.722 22.325 ( -0.856 -4.721 2.275) 5.310 22.419 ( -0.293 -6.477 -6.239) 8.998 23.029 ( 0.525 0.900 0.986) 1.434 23.049 ( -2.358 -1.003 -1.024) 2.759 23.407 ( 2.308 -0.008 2.655) 3.518 23.429 ( -1.179 -1.938 0.808) 2.408 23.813 ( -2.516 2.899 1.341) 4.066 23.831 ( 0.869 1.683 0.474) 1.952 23.923 ( 1.104 0.425 -1.893) 2.232 23.958 ( 2.967 -2.639 -4.630) 6.099 24.524 ( 1.983 6.778 6.262) 9.439 24.597 ( -0.059 2.675 0.717) 2.770 24.795 ( -1.339 -1.876 3.784) 4.431 24.884 ( 0.357 -7.676 -3.430) 8.415 ======================= Grid point 217 (121/128) ======================= q-point: ( 0.11 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 20.532 5.979 -1.406) 21.431 1.707 ( 22.741 1.596 0.822) 22.812 2.404 ( -4.370 4.923 0.947) 6.651 2.478 ( -4.173 -1.509 -0.244) 4.444 2.628 ( 3.316 4.141 3.697) 6.467 2.709 ( 1.571 3.481 2.881) 4.784 2.761 ( 5.320 1.722 -3.299) 6.492 2.833 ( 12.351 -1.676 -7.719) 14.661 3.157 ( 3.386 0.856 -5.966) 6.913 3.244 ( 5.151 -8.660 0.623) 10.096 3.406 ( 3.098 -0.641 -0.257) 3.174 3.432 ( 2.391 -4.091 4.900) 6.816 3.901 ( -1.756 5.584 -3.379) 6.759 3.931 ( -1.822 2.295 -5.150) 5.925 4.072 ( -2.877 5.701 -4.910) 8.055 4.079 ( -2.525 5.074 3.805) 6.826 4.484 ( -4.556 2.228 3.715) 6.287 4.525 ( -2.845 0.708 5.149) 5.925 4.787 ( 2.081 -0.805 -2.275) 3.186 4.840 ( 2.861 -4.351 3.930) 6.523 4.981 ( -7.630 -0.474 5.690) 9.530 5.094 ( 1.140 -7.812 1.372) 8.013 5.264 ( 2.899 4.461 -4.012) 6.664 5.336 ( 8.781 -0.818 -0.383) 8.828 5.348 ( 3.168 -4.042 6.416) 8.219 5.413 ( 7.269 -6.031 -7.344) 11.964 6.040 ( -7.017 7.077 1.778) 10.123 6.148 ( -3.038 -2.741 1.814) 4.476 6.235 ( 3.593 3.798 -0.514) 5.253 6.276 ( 4.996 -0.124 -4.873) 6.980 6.407 ( 0.999 2.071 0.304) 2.319 6.473 ( 3.821 -3.514 -1.161) 5.320 6.893 ( -2.913 1.399 1.675) 3.640 6.948 ( -0.592 -3.281 -1.816) 3.796 7.325 ( 2.792 4.482 -1.199) 5.415 7.432 ( 8.018 -5.982 -2.279) 10.260 8.779 ( -2.383 0.864 0.510) 2.585 8.802 ( -0.846 -1.470 -2.081) 2.684 9.103 ( -2.304 3.529 -0.106) 4.216 9.160 ( 1.199 -2.027 -5.937) 6.387 10.386 ( -0.373 12.005 -1.668) 12.126 10.467 ( 3.528 7.206 5.673) 9.827 10.803 ( -1.808 -7.793 -0.685) 8.029 10.848 ( -0.334 -9.378 7.399) 11.950 11.175 ( -2.071 1.163 -0.271) 2.390 11.195 ( -0.856 -0.861 -0.959) 1.546 11.665 ( -1.643 0.168 -2.479) 2.979 11.687 ( -0.565 -1.903 -1.784) 2.669 12.322 ( -17.544 1.745 0.855) 17.651 12.348 ( -16.855 -0.828 1.849) 16.976 12.732 ( -8.459 1.822 -1.931) 8.866 12.774 ( -8.207 -2.350 -3.602) 9.265 13.378 ( 5.767 1.482 4.995) 7.772 13.436 ( 6.531 -4.218 3.661) 8.594 13.898 ( 17.026 0.991 0.477) 17.061 13.916 ( 17.247 -0.755 1.096) 17.298 22.168 ( -2.014 7.771 1.165) 8.112 22.245 ( 2.369 6.677 1.268) 7.197 22.325 ( -2.294 -5.546 1.046) 6.092 22.398 ( 2.006 -6.202 1.229) 6.634 22.966 ( -5.975 1.471 0.559) 6.179 23.010 ( -5.188 -2.861 2.052) 6.270 23.416 ( 1.489 3.851 -1.849) 4.524 23.480 ( 1.591 -2.267 -0.267) 2.782 23.769 ( -3.426 2.890 0.993) 4.591 23.816 ( -2.014 -0.709 -0.083) 2.137 23.939 ( 2.122 0.345 -0.459) 2.199 23.972 ( 4.209 -2.662 -3.557) 6.120 24.439 ( -8.021 5.645 -1.235) 9.885 24.540 ( -9.226 -3.970 -1.743) 10.194 24.846 ( 8.436 9.088 1.622) 12.505 25.048 ( 13.001 -10.320 -0.911) 16.624 ======================= Grid point 218 (122/128) ======================= q-point: ( 0.22 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 20.935 7.386 -3.491) 22.472 2.118 ( 23.380 -2.360 -1.012) 23.520 2.382 ( 4.704 4.362 -2.268) 6.804 2.452 ( 1.660 -1.637 -2.146) 3.168 2.662 ( 0.050 6.824 1.867) 7.075 2.778 ( 7.841 4.034 -10.966) 14.071 2.813 ( 2.004 1.037 6.156) 6.556 2.938 ( 10.698 -5.097 -3.857) 12.462 3.204 ( 3.073 -1.593 -1.595) 3.811 3.267 ( 4.062 -7.592 -3.335) 9.233 3.508 ( 6.821 4.711 -0.295) 8.295 3.537 ( 3.209 0.792 4.470) 5.559 3.829 ( 1.229 1.190 -8.405) 8.577 3.859 ( -0.404 0.647 0.283) 0.814 3.965 ( -3.471 3.445 -1.417) 5.092 4.001 ( -5.048 -1.155 -2.910) 5.940 4.449 ( -4.144 6.081 3.298) 8.065 4.552 ( -1.236 0.513 4.251) 4.457 4.834 ( 1.633 2.335 0.759) 2.949 4.883 ( 4.302 8.791 -4.635) 10.829 4.970 ( -2.338 -6.733 5.730) 9.145 5.109 ( 4.377 -10.447 -4.367) 12.140 5.262 ( 3.271 6.492 -4.423) 8.509 5.431 ( 5.926 -8.817 -3.010) 11.042 5.523 ( 6.998 -0.138 3.455) 7.805 5.552 ( 7.247 -4.119 6.545) 10.598 5.959 ( -5.383 7.866 2.111) 9.762 6.112 ( -4.082 -6.871 2.654) 8.421 6.271 ( 3.573 4.043 -3.176) 6.261 6.310 ( 5.108 1.105 -4.046) 6.609 6.422 ( 0.006 3.057 -0.327) 3.074 6.483 ( 0.517 -1.797 -3.183) 3.692 6.884 ( -1.281 -1.076 2.695) 3.172 6.915 ( -1.397 -2.860 0.454) 3.215 7.370 ( 5.255 7.470 -2.929) 9.591 7.534 ( 7.474 -8.354 -3.007) 11.605 8.670 ( -5.412 1.843 -7.131) 9.140 8.714 ( -2.829 -2.595 -7.018) 7.999 9.095 ( -2.775 1.237 5.474) 6.260 9.122 ( -0.153 -1.422 -1.012) 1.752 10.397 ( 1.920 14.220 0.980) 14.382 10.616 ( 3.803 -1.069 7.530) 8.503 10.791 ( -0.963 0.217 2.373) 2.570 10.950 ( -1.734 -9.560 10.508) 14.311 11.141 ( -2.241 1.657 1.230) 3.047 11.170 ( -0.934 -1.142 -0.096) 1.478 11.586 ( -2.334 1.179 -4.449) 5.161 11.633 ( -2.320 -3.034 -3.088) 4.912 12.032 ( -16.957 2.945 -0.105) 17.212 12.086 ( -16.716 -2.346 2.123) 17.013 12.532 ( -11.373 -0.075 -0.815) 11.403 12.538 ( -13.174 -0.690 -1.980) 13.339 13.599 ( 12.206 1.042 3.571) 12.760 13.650 ( 12.532 -3.868 2.746) 13.400 14.185 ( 15.013 1.686 1.373) 15.170 14.216 ( 15.089 -1.303 2.322) 15.322 22.162 ( -0.653 7.065 1.794) 7.318 22.293 ( -1.352 -6.081 1.298) 6.363 22.340 ( 2.090 8.117 5.477) 10.013 22.478 ( 1.553 -5.221 6.255) 8.295 22.886 ( -5.445 1.184 2.419) 6.074 22.936 ( -6.709 -3.854 2.870) 8.253 23.377 ( -2.567 5.287 -5.280) 7.901 23.446 ( -2.112 -1.183 -2.523) 3.496 23.712 ( -3.456 4.446 -1.767) 5.901 23.813 ( 2.331 -4.026 -0.925) 4.743 23.970 ( 1.417 -0.037 0.578) 1.530 23.991 ( 2.482 -3.129 -3.089) 5.049 24.316 ( -3.894 2.998 -1.830) 5.244 24.373 ( -5.652 -2.633 -2.887) 6.871 25.007 ( 8.083 10.352 0.939) 13.168 25.214 ( 9.570 -9.845 -2.927) 14.039 ======================= Grid point 219 (123/128) ======================= q-point: ( 0.33 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 4.693 9.716 -0.843) 10.823 2.382 ( 6.137 -7.205 -1.105) 9.528 2.440 ( 8.381 3.228 -7.264) 11.551 2.483 ( 14.360 -1.095 -10.377) 17.751 2.714 ( 0.947 7.477 2.764) 8.028 2.846 ( 6.737 4.882 0.283) 8.325 2.907 ( 3.723 0.966 2.825) 4.773 3.061 ( 8.287 -4.847 -5.261) 10.947 3.219 ( 1.519 -3.406 -4.438) 5.797 3.244 ( -1.116 -3.789 1.055) 4.088 3.559 ( -0.761 7.770 -1.134) 7.889 3.694 ( 8.123 0.021 4.556) 9.314 3.799 ( 4.211 6.025 -0.453) 7.365 3.885 ( 1.122 3.421 0.361) 3.618 3.935 ( -0.199 -6.375 3.790) 7.419 3.997 ( 7.806 -6.858 -0.181) 10.392 4.439 ( -1.528 7.932 3.141) 8.666 4.580 ( 0.062 -1.351 1.962) 2.383 4.792 ( -1.198 7.161 -5.156) 8.905 4.944 ( 0.252 0.406 -0.455) 0.659 4.969 ( 4.193 1.527 -4.304) 6.199 5.164 ( 4.493 -9.653 0.292) 10.652 5.256 ( 1.558 10.845 -4.699) 11.922 5.477 ( 1.228 -8.384 -2.149) 8.742 5.606 ( 1.598 -0.001 -0.126) 1.603 5.666 ( 1.169 -6.155 -0.811) 6.317 5.932 ( -2.493 6.999 5.680) 9.353 6.097 ( -2.829 -8.815 4.559) 10.320 6.272 ( 1.510 5.175 -4.064) 6.751 6.333 ( 3.893 1.441 -4.578) 6.180 6.393 ( -0.092 1.156 -4.499) 4.645 6.443 ( 0.080 -0.967 -2.882) 3.041 6.899 ( -0.764 0.314 3.814) 3.902 6.951 ( 2.147 -4.451 3.708) 6.178 7.411 ( 4.013 8.817 -3.570) 10.324 7.586 ( 4.201 -8.074 -4.872) 10.324 8.479 ( -6.334 2.614 -6.411) 9.384 8.560 ( -3.465 -5.285 -8.441) 10.545 9.128 ( -1.882 -0.067 5.840) 6.136 9.133 ( 0.921 -0.528 1.535) 1.866 10.463 ( 3.426 15.163 2.385) 15.727 10.749 ( 3.191 -11.709 4.589) 12.975 10.795 ( -3.777 11.743 3.483) 12.817 11.009 ( -4.803 -8.143 7.668) 12.172 11.159 ( 0.481 0.858 4.825) 4.924 11.179 ( 0.347 -1.462 2.367) 2.803 11.494 ( -0.631 1.615 -6.226) 6.463 11.550 ( -1.217 -3.257 -4.995) 6.086 11.787 ( -12.490 3.558 0.699) 13.006 11.865 ( -13.016 -4.057 2.232) 13.815 12.338 ( -8.849 1.415 -0.098) 8.962 12.376 ( -6.356 -2.265 -0.648) 6.779 13.828 ( 9.538 0.870 3.761) 10.289 13.876 ( 10.258 -3.742 2.525) 11.207 14.401 ( 8.822 2.120 1.331) 9.171 14.439 ( 8.305 -1.690 2.080) 8.727 22.187 ( 0.356 5.663 2.484) 6.194 22.285 ( -1.390 -4.104 1.339) 4.535 22.456 ( 1.856 8.505 7.279) 11.347 22.589 ( 1.023 -3.482 8.395) 9.146 22.845 ( -4.866 -0.118 3.132) 5.788 22.876 ( -5.017 -3.236 4.513) 7.484 23.247 ( -2.739 4.359 -6.201) 8.060 23.350 ( -3.590 -5.346 -5.269) 8.321 23.632 ( -1.007 9.658 -4.862) 10.859 23.812 ( 1.606 -7.718 -6.523) 10.232 23.980 ( 0.892 2.046 -0.273) 2.249 24.014 ( 0.961 -1.754 2.083) 2.888 24.270 ( -0.469 0.846 -0.691) 1.189 24.295 ( -1.357 -1.412 -1.371) 2.391 25.124 ( 4.745 8.172 0.768) 9.481 25.292 ( 5.555 -8.213 -4.517) 10.896 ======================= Grid point 220 (124/128) ======================= q-point: ( 0.44 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -5.463 8.773 4.437) 11.247 2.335 ( -0.345 -3.226 -5.172) 6.105 2.562 ( 12.327 3.392 -7.375) 14.760 2.609 ( 5.087 3.728 -0.205) 6.310 2.724 ( 0.361 0.165 -1.052) 1.125 2.882 ( -0.084 -7.930 -3.115) 8.520 2.975 ( 0.640 7.327 -0.588) 7.378 3.048 ( 1.233 -0.516 -5.840) 5.991 3.195 ( 1.068 3.562 2.426) 4.440 3.283 ( 0.561 -3.425 0.023) 3.471 3.583 ( 3.840 5.007 2.383) 6.745 3.763 ( 0.017 -8.062 -2.446) 8.425 3.918 ( -0.408 -0.135 10.188) 10.197 3.986 ( -1.127 -1.975 5.290) 5.758 4.020 ( 11.571 8.309 0.442) 14.252 4.155 ( 7.005 -3.685 0.326) 7.922 4.483 ( 1.960 5.574 3.983) 7.126 4.603 ( -0.498 -0.118 2.495) 2.547 4.683 ( -3.062 6.177 -6.319) 9.352 4.850 ( -3.138 -6.262 -7.677) 10.392 4.995 ( -4.676 9.375 3.303) 10.985 5.128 ( -3.299 2.312 -5.876) 7.124 5.281 ( 1.885 -0.121 5.069) 5.409 5.388 ( -5.944 -3.778 -0.584) 7.067 5.621 ( -2.452 -3.042 -2.231) 4.499 5.665 ( 9.972 -6.387 -7.324) 13.924 5.994 ( -1.194 4.583 7.812) 9.135 6.122 ( -1.097 -7.151 4.839) 8.703 6.240 ( 1.161 4.033 -3.163) 5.255 6.316 ( 1.675 -0.033 -5.306) 5.564 6.324 ( -0.421 1.701 -6.098) 6.345 6.403 ( 0.455 -2.939 -5.672) 6.404 6.969 ( 1.828 2.947 5.650) 6.629 7.043 ( 3.141 -4.012 2.882) 5.854 7.413 ( 0.495 7.570 -1.820) 7.801 7.550 ( 0.250 -5.389 -6.853) 8.722 8.341 ( -4.088 1.929 -1.472) 4.754 8.427 ( -0.723 -6.292 -7.001) 9.441 9.165 ( -0.484 0.389 3.477) 3.532 9.182 ( 2.998 -1.140 0.605) 3.264 10.562 ( 4.466 15.087 2.847) 15.989 10.725 ( -4.310 10.916 -1.905) 11.890 10.864 ( 2.793 -8.800 5.511) 10.752 10.992 ( -4.246 -9.512 2.595) 10.735 11.215 ( -1.651 1.110 4.774) 5.172 11.246 ( 0.652 -1.963 6.198) 6.534 11.428 ( 3.053 2.665 -7.533) 8.554 11.478 ( -0.299 -1.658 -5.217) 5.482 11.666 ( -3.049 0.811 1.427) 3.462 11.715 ( -7.788 -3.597 1.756) 8.757 12.249 ( -3.546 2.114 1.941) 4.562 12.302 ( -1.499 -3.100 -1.163) 3.634 13.987 ( 3.687 0.497 3.670) 5.226 14.027 ( 4.530 -3.512 1.426) 5.906 14.508 ( 2.326 1.530 1.518) 3.171 14.535 ( 1.236 -1.129 1.030) 1.965 22.229 ( 1.117 3.672 2.220) 4.434 22.277 ( -1.169 -1.028 0.673) 1.696 22.572 ( 2.583 8.698 6.246) 11.016 22.705 ( -0.364 1.310 7.611) 7.731 22.785 ( -2.967 -2.034 0.995) 3.732 22.876 ( -3.864 -5.437 5.567) 8.688 23.170 ( 1.201 1.878 -4.508) 5.029 23.237 ( -0.590 -3.750 -6.661) 7.667 23.569 ( -0.659 7.807 -2.491) 8.221 23.717 ( -0.893 -6.308 -8.754) 10.827 24.013 ( 1.076 2.652 2.179) 3.597 24.050 ( 0.561 -0.955 1.252) 1.671 24.262 ( -0.013 -0.016 -0.375) 0.376 24.274 ( 0.012 -1.021 -0.882) 1.349 25.185 ( 1.065 4.688 1.733) 5.111 25.295 ( 1.909 -5.894 -4.873) 7.882 ======================= Grid point 221 (125/128) ======================= q-point: (-0.44 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -9.060 8.085 9.287) 15.287 2.282 ( -0.969 -2.924 -1.540) 3.444 2.508 ( -11.743 8.055 -1.447) 14.314 2.625 ( -3.923 2.219 -0.832) 4.584 2.750 ( 3.347 -2.669 -2.462) 4.938 2.861 ( 7.478 -9.735 -5.971) 13.650 2.963 ( -2.400 5.340 1.266) 5.990 3.015 ( 1.164 1.046 -2.763) 3.176 3.261 ( 1.237 3.434 0.069) 3.650 3.271 ( 1.850 2.192 -1.100) 3.072 3.650 ( -6.308 -0.627 -1.510) 6.517 3.686 ( -0.395 -3.333 1.933) 3.873 3.954 ( -9.386 0.801 3.455) 10.033 4.007 ( -2.874 -6.110 5.817) 8.913 4.131 ( -2.557 5.300 -3.631) 6.915 4.157 ( 0.905 3.847 -3.571) 5.326 4.544 ( -6.197 9.447 -1.488) 11.396 4.563 ( -0.439 4.227 5.007) 6.567 4.636 ( -5.118 -4.572 2.983) 7.483 4.707 ( -1.398 -4.925 0.008) 5.120 4.915 ( -8.183 8.137 8.128) 14.115 5.071 ( -4.617 -3.543 4.160) 7.154 5.327 ( 2.102 6.640 -3.072) 7.612 5.408 ( 5.288 -0.757 2.533) 5.912 5.557 ( -1.376 -1.784 -0.302) 2.273 5.707 ( 7.543 -14.357 -10.659) 19.407 6.072 ( -0.666 6.014 7.857) 9.916 6.165 ( 2.207 0.335 -2.290) 3.198 6.218 ( -1.578 0.676 -2.181) 2.776 6.275 ( 2.305 -1.773 -0.679) 2.986 6.296 ( 0.356 -0.619 -0.489) 0.865 6.321 ( -0.745 -4.079 -5.147) 6.609 7.057 ( 1.874 2.202 1.560) 3.286 7.083 ( 1.962 -0.133 -4.131) 4.575 7.402 ( -3.520 3.180 3.412) 5.844 7.465 ( -0.358 -2.229 -3.718) 4.350 8.308 ( -1.256 0.627 2.887) 3.210 8.378 ( 2.688 -5.888 -3.698) 7.454 9.193 ( 1.590 1.900 -0.358) 2.503 9.237 ( 5.042 -2.334 -2.781) 6.213 10.610 ( -4.815 13.702 -1.255) 14.578 10.681 ( 4.644 11.995 0.870) 12.892 10.929 ( -2.319 -8.296 0.753) 8.647 10.999 ( 5.981 -9.891 0.592) 11.574 11.249 ( -2.080 2.657 6.622) 7.432 11.301 ( 0.065 -2.169 2.003) 2.953 11.388 ( 0.088 1.401 -5.354) 5.535 11.429 ( 1.946 -2.471 -4.836) 5.769 11.671 ( 2.018 1.929 1.831) 3.339 11.725 ( 6.946 -3.050 0.753) 7.624 12.255 ( 0.417 1.081 2.786) 3.018 12.292 ( 2.295 -2.469 -1.662) 3.758 14.021 ( -4.036 -0.482 1.984) 4.524 14.041 ( -3.312 -2.482 -1.055) 4.271 14.510 ( -4.868 1.019 1.520) 5.201 14.530 ( -2.695 -1.005 1.387) 3.194 22.258 ( -0.908 2.270 -0.202) 2.453 22.274 ( 1.522 0.622 0.699) 1.787 22.672 ( -2.351 9.104 -2.639) 9.766 22.704 ( 5.401 8.511 4.742) 11.139 22.858 ( -2.125 -8.512 -0.108) 8.773 22.880 ( 4.065 -8.485 6.668) 11.532 23.158 ( 0.689 1.746 -3.235) 3.740 23.164 ( 1.174 1.275 -4.259) 4.599 23.570 ( -0.418 0.849 3.931) 4.044 23.603 ( -1.514 -2.154 -5.225) 5.851 24.047 ( -0.161 1.459 0.928) 1.737 24.054 ( -0.201 0.863 -0.570) 1.054 24.260 ( 0.049 -0.247 0.067) 0.261 24.268 ( 0.531 -0.957 -0.825) 1.370 25.204 ( -2.540 1.102 3.224) 4.250 25.246 ( -1.223 -3.067 -3.695) 4.956 ======================= Grid point 222 (126/128) ======================= q-point: (-0.33 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -10.315 7.719 15.022) 19.790 2.216 ( -11.594 11.256 -2.727) 16.388 2.297 ( -7.887 -6.104 5.935) 11.605 2.436 ( -14.727 -7.219 -1.394) 16.460 2.767 ( 1.955 3.282 -3.887) 5.450 2.884 ( -3.954 -0.160 -2.664) 4.770 2.925 ( -2.473 -0.211 -0.888) 2.636 2.997 ( -2.298 0.493 1.396) 2.733 3.228 ( 0.148 0.880 -4.472) 4.560 3.290 ( 0.550 -3.014 -3.082) 4.346 3.518 ( -4.682 9.699 2.335) 11.020 3.679 ( -6.570 -2.846 4.642) 8.533 3.786 ( -13.037 9.097 2.560) 16.102 3.951 ( -9.263 -5.241 1.197) 10.710 3.959 ( -5.056 -0.077 -4.506) 6.773 4.087 ( -1.195 -6.109 -7.498) 9.745 4.458 ( -3.133 9.996 1.758) 10.622 4.568 ( -4.861 1.831 2.942) 5.970 4.641 ( 0.856 2.873 7.310) 7.901 4.767 ( -2.300 -5.795 10.414) 12.137 4.925 ( -3.905 5.373 5.340) 8.523 5.041 ( -7.731 -2.604 9.508) 12.528 5.283 ( -1.493 9.871 -4.591) 10.988 5.495 ( 2.683 -2.181 -2.602) 4.327 5.594 ( 3.165 -3.028 0.229) 4.387 5.687 ( 3.655 -14.684 -5.881) 16.234 6.074 ( -0.625 6.955 -5.901) 9.143 6.163 ( 0.811 4.677 3.133) 5.687 6.229 ( 0.956 -7.177 -5.059) 8.833 6.244 ( -0.446 -2.514 3.400) 4.252 6.311 ( 0.888 2.452 2.347) 3.509 6.372 ( 2.160 -3.265 4.216) 5.753 7.014 ( 0.118 1.476 -6.860) 7.018 7.049 ( -0.435 -1.261 -5.423) 5.585 7.359 ( -3.792 6.046 1.741) 7.345 7.479 ( -1.775 -5.039 4.798) 7.181 8.364 ( 2.019 0.379 5.293) 5.677 8.429 ( 4.408 -5.579 2.245) 7.456 9.206 ( 3.339 3.438 -4.463) 6.549 9.272 ( 5.946 -3.077 -6.773) 9.523 10.510 ( -3.954 14.696 -2.283) 15.389 10.738 ( -0.800 -1.814 1.650) 2.579 10.916 ( 3.904 3.587 -4.886) 7.210 11.093 ( 4.741 -7.521 -1.364) 8.995 11.279 ( 0.105 -0.018 -3.105) 3.106 11.295 ( 0.404 -0.845 -6.139) 6.210 11.358 ( 2.844 1.693 3.951) 5.154 11.425 ( -0.897 -4.439 4.891) 6.666 11.813 ( 12.929 4.473 -0.368) 13.686 11.899 ( 13.288 -3.875 -0.431) 13.848 12.324 ( 4.321 0.315 2.465) 4.985 12.346 ( 5.587 -1.717 0.311) 5.853 13.897 ( -10.530 -0.868 -1.912) 10.737 13.910 ( -10.387 -2.065 -0.907) 10.629 14.401 ( -10.505 2.530 1.335) 10.887 14.454 ( -9.057 -2.883 1.112) 9.569 22.232 ( -0.717 4.358 -1.590) 4.695 22.301 ( 1.084 -2.539 -0.170) 2.766 22.606 ( 0.261 10.274 -5.861) 11.831 22.776 ( 0.114 -1.589 -6.840) 7.023 22.873 ( 6.804 0.055 0.549) 6.826 22.986 ( 3.564 -6.734 -3.125) 8.235 23.127 ( 0.666 4.513 2.427) 5.167 23.221 ( 4.436 -4.176 5.154) 7.980 23.555 ( -0.245 4.642 1.291) 4.824 23.647 ( -0.070 -4.074 7.506) 8.541 24.014 ( -1.002 2.731 -2.375) 3.755 24.050 ( -0.423 -0.715 -0.752) 1.121 24.263 ( 0.117 -0.116 -0.062) 0.176 24.272 ( 0.392 -0.949 0.328) 1.078 25.148 ( -5.558 1.662 -1.037) 5.893 25.200 ( -4.684 -3.267 3.436) 6.665 ======================= Grid point 223 (127/128) ======================= q-point: (-0.22 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -20.694 10.680 3.925) 23.616 2.100 ( -21.188 -5.460 1.794) 21.954 2.209 ( -6.213 5.948 13.412) 15.933 2.334 ( -1.969 -5.345 7.616) 9.510 2.660 ( -9.405 2.393 -3.096) 10.186 2.709 ( -10.089 3.351 -1.573) 10.747 2.831 ( -3.037 1.817 -0.603) 3.590 2.999 ( 0.978 -8.281 -2.031) 8.583 3.153 ( -4.631 3.850 -0.412) 6.036 3.257 ( -4.015 -6.530 -1.870) 7.890 3.481 ( -6.594 13.489 3.584) 15.437 3.612 ( -3.386 5.601 -0.696) 6.581 3.675 ( -4.567 7.704 5.034) 10.273 3.835 ( -5.724 -4.525 2.566) 7.734 3.915 ( 1.601 -1.910 3.786) 4.533 4.012 ( 2.132 -9.702 -5.731) 11.468 4.460 ( -1.022 6.588 3.050) 7.332 4.537 ( -4.236 0.415 4.912) 6.499 4.760 ( 2.216 6.661 6.267) 9.410 4.844 ( -3.116 5.283 4.143) 7.402 4.905 ( -0.972 -0.680 5.687) 5.810 5.043 ( -4.935 -7.895 5.364) 10.745 5.202 ( -3.221 7.422 0.019) 8.091 5.433 ( -1.813 -8.119 -6.034) 10.277 5.593 ( -2.996 -3.118 -1.933) 4.736 5.655 ( -2.349 -8.437 -3.660) 9.492 6.036 ( 3.651 8.226 -4.149) 9.910 6.180 ( -0.897 2.439 0.520) 2.650 6.207 ( 0.191 -5.942 -1.786) 6.208 6.242 ( -3.532 -1.169 2.603) 4.540 6.386 ( 2.849 2.553 3.151) 4.956 6.443 ( 1.956 -2.369 1.553) 3.442 6.955 ( 1.488 -0.468 -4.547) 4.807 6.969 ( -0.288 -1.095 -4.810) 4.942 7.320 ( -3.526 6.999 1.718) 8.023 7.473 ( -5.016 -7.327 3.107) 9.407 8.495 ( 3.548 1.002 7.969) 8.781 8.559 ( 4.280 -4.989 6.380) 9.161 9.197 ( 3.990 4.143 -6.778) 8.890 9.269 ( 5.809 -3.018 -9.499) 11.537 10.429 ( -2.716 14.954 -2.037) 15.335 10.710 ( -3.115 -12.309 -0.369) 12.703 10.878 ( -0.555 12.891 -7.275) 14.812 11.107 ( 0.142 -9.381 -3.898) 10.160 11.217 ( 1.204 1.814 -5.424) 5.844 11.246 ( 3.471 -0.551 -6.576) 7.456 11.485 ( 4.324 0.111 4.628) 6.335 11.534 ( 4.924 -4.076 6.067) 8.813 12.055 ( 17.429 4.663 -1.674) 18.119 12.134 ( 16.529 -3.069 -1.976) 16.927 12.470 ( 8.432 0.219 4.190) 9.419 12.487 ( 8.812 -1.358 3.028) 9.416 13.667 ( -13.098 -0.181 -2.408) 13.319 13.694 ( -13.305 -2.695 -1.218) 13.630 14.191 ( -16.475 2.773 0.839) 16.728 14.248 ( -16.262 -3.089 -0.262) 16.555 22.200 ( -0.604 5.768 -1.750) 6.057 22.307 ( 0.138 -5.009 -0.385) 5.026 22.515 ( -0.390 9.985 -9.717) 13.938 22.660 ( -0.749 -3.380 -9.973) 10.557 22.944 ( 3.149 0.032 -2.641) 4.110 22.995 ( 5.181 -5.263 -2.798) 7.897 23.242 ( 3.852 6.624 6.786) 10.236 23.367 ( 3.233 -5.127 4.546) 7.576 23.639 ( 5.555 4.519 4.844) 8.646 23.733 ( 0.026 -4.720 6.464) 8.004 23.972 ( -0.428 3.180 -2.399) 4.006 24.025 ( 0.184 -2.371 -2.821) 3.689 24.273 ( 0.984 1.253 1.583) 2.246 24.304 ( 1.844 -1.661 3.062) 3.941 25.023 ( -8.288 5.579 -0.480) 10.002 25.142 ( -7.934 -5.921 3.764) 10.591 ======================= Grid point 224 (128/128) ======================= q-point: (-0.11 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -19.442 8.684 2.620) 21.454 1.735 ( -19.771 -2.569 -1.951) 20.032 2.293 ( -2.200 8.056 10.751) 13.614 2.438 ( 4.465 -5.156 5.680) 8.876 2.546 ( -6.394 2.978 6.888) 9.859 2.608 ( -4.687 0.577 6.348) 7.912 2.795 ( -0.732 3.494 -2.694) 4.472 2.900 ( -2.783 -0.041 -10.826) 11.178 3.089 ( -8.654 -0.681 1.266) 8.773 3.140 ( -3.519 -7.553 6.618) 10.641 3.448 ( -1.609 5.166 -0.397) 5.425 3.533 ( -2.149 1.511 -4.521) 5.229 3.736 ( 1.373 7.787 9.294) 12.202 3.841 ( 0.321 -0.728 5.087) 5.148 4.010 ( 2.262 -0.596 -0.828) 2.482 4.050 ( 4.501 -2.212 5.654) 7.558 4.473 ( -3.033 3.900 4.641) 6.778 4.550 ( -2.341 -1.994 4.933) 5.813 4.765 ( -3.909 8.608 0.141) 9.455 4.853 ( 1.628 6.511 -1.080) 6.798 5.000 ( -1.346 -3.550 8.158) 8.998 5.017 ( -2.205 -8.273 3.257) 9.160 5.204 ( -2.194 2.597 5.428) 6.405 5.344 ( 3.718 -7.507 -9.097) 12.367 5.460 ( -5.885 -3.524 -5.695) 8.915 5.518 ( -5.116 -6.282 -7.336) 10.930 6.077 ( 5.211 7.337 -1.702) 9.159 6.158 ( -3.841 4.283 3.265) 6.615 6.187 ( -1.675 -1.800 0.294) 2.476 6.228 ( 0.558 -4.147 0.017) 4.184 6.435 ( 0.827 1.380 -0.766) 1.782 6.464 ( -0.538 -1.333 -0.282) 1.465 6.935 ( 0.129 0.280 -1.277) 1.313 6.948 ( 3.022 -1.335 -3.247) 4.633 7.296 ( -1.038 3.951 1.177) 4.251 7.403 ( -5.412 -6.076 0.833) 8.179 8.647 ( 1.784 1.242 9.039) 9.296 8.699 ( 2.447 -3.573 6.800) 8.062 9.178 ( 3.553 4.024 -6.592) 8.501 9.242 ( 5.412 -2.319 -10.041) 11.640 10.376 ( -1.406 14.085 -0.809) 14.178 10.610 ( -4.150 -5.095 -6.383) 9.162 10.785 ( -2.706 6.433 -0.658) 7.010 11.010 ( -2.711 -12.040 -6.714) 14.050 11.204 ( 2.082 1.928 -2.612) 3.856 11.235 ( 2.899 -1.051 -4.819) 5.721 11.603 ( 4.077 1.351 2.693) 5.069 11.665 ( 4.729 -4.346 0.998) 6.500 12.340 ( 18.339 3.263 -1.044) 18.657 12.384 ( 15.618 -1.109 -1.595) 15.738 12.664 ( 6.625 0.151 4.570) 8.050 12.677 ( 6.115 -1.177 5.234) 8.135 13.454 ( -7.700 0.102 -1.739) 7.895 13.485 ( -8.831 -2.815 -0.898) 9.312 13.898 ( -18.474 1.992 0.384) 18.585 13.938 ( -19.079 -2.048 -0.669) 19.200 22.175 ( -0.510 6.696 -0.570) 6.740 22.303 ( -0.581 -6.034 0.367) 6.073 22.378 ( -1.354 9.067 -8.930) 12.798 22.526 ( -1.249 -5.395 -8.849) 10.439 22.981 ( 3.798 2.103 -0.602) 4.383 23.054 ( 4.005 -5.110 -1.930) 6.773 23.342 ( 0.160 5.184 4.552) 6.901 23.434 ( -0.865 -3.491 3.589) 5.081 23.776 ( 4.260 1.855 1.950) 5.039 23.798 ( 1.583 -0.293 1.848) 2.451 23.942 ( -0.251 1.760 -1.866) 2.577 23.988 ( 0.895 -3.081 -4.729) 5.714 24.363 ( 5.072 3.912 5.069) 8.168 24.444 ( 7.822 -3.970 6.834) 11.120 24.871 ( -8.900 7.412 -0.478) 11.592 25.025 ( -10.050 -7.503 1.554) 12.638 =================== 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 3/31752 10.0 1600.806 1199.830 1102.661 0.000 -174.522 0.000 3/31752 20.0 229.352 162.582 143.426 0.000 -24.642 0.000 3/31752 30.0 82.017 55.563 50.038 0.000 -8.581 0.000 3/31752 40.0 42.989 28.492 25.984 0.000 -4.297 0.000 3/31752 50.0 27.481 18.089 16.604 0.000 -2.639 0.000 3/31752 60.0 19.740 13.003 11.977 0.000 -1.841 0.000 3/31752 70.0 15.272 10.101 9.323 0.000 -1.397 0.000 3/31752 80.0 12.423 8.260 7.633 0.000 -1.122 0.000 3/31752 90.0 10.473 7.000 6.474 0.000 -0.938 0.000 3/31752 100.0 9.066 6.086 5.632 0.000 -0.808 0.000 3/31752 110.0 8.009 5.395 4.994 0.000 -0.711 0.000 3/31752 120.0 7.188 4.854 4.495 0.000 -0.637 0.000 3/31752 130.0 6.533 4.419 4.093 0.000 -0.578 0.000 3/31752 140.0 5.998 4.061 3.762 0.000 -0.530 0.000 3/31752 150.0 5.554 3.761 3.485 0.000 -0.490 0.000 3/31752 160.0 5.178 3.507 3.250 0.000 -0.456 0.000 3/31752 170.0 4.856 3.288 3.047 0.000 -0.427 0.000 3/31752 180.0 4.576 3.097 2.871 0.000 -0.402 0.000 3/31752 190.0 4.331 2.929 2.716 0.000 -0.380 0.000 3/31752 200.0 4.114 2.780 2.579 0.000 -0.361 0.000 3/31752 210.0 3.920 2.648 2.456 0.000 -0.343 0.000 3/31752 220.0 3.745 2.528 2.345 0.000 -0.327 0.000 3/31752 230.0 3.588 2.421 2.246 0.000 -0.313 0.000 3/31752 240.0 3.444 2.323 2.155 0.000 -0.300 0.000 3/31752 250.0 3.312 2.233 2.072 0.000 -0.288 0.000 3/31752 260.0 3.192 2.151 1.996 0.000 -0.277 0.000 3/31752 270.0 3.080 2.075 1.925 0.000 -0.267 0.000 3/31752 280.0 2.976 2.005 1.860 0.000 -0.258 0.000 3/31752 290.0 2.880 1.939 1.800 0.000 -0.249 0.000 3/31752 300.0 2.791 1.879 1.744 0.000 -0.241 0.000 3/31752 310.0 2.707 1.822 1.691 0.000 -0.233 0.000 3/31752 320.0 2.628 1.769 1.642 0.000 -0.226 0.000 3/31752 330.0 2.554 1.719 1.595 0.000 -0.219 0.000 3/31752 340.0 2.484 1.672 1.552 0.000 -0.213 0.000 3/31752 350.0 2.418 1.627 1.511 0.000 -0.207 0.000 3/31752 360.0 2.356 1.585 1.472 0.000 -0.201 0.000 3/31752 370.0 2.296 1.546 1.435 0.000 -0.196 0.000 3/31752 380.0 2.240 1.508 1.400 0.000 -0.191 0.000 3/31752 390.0 2.187 1.472 1.367 0.000 -0.186 0.000 3/31752 400.0 2.136 1.438 1.335 0.000 -0.182 0.000 3/31752 410.0 2.088 1.405 1.305 0.000 -0.177 0.000 3/31752 420.0 2.041 1.374 1.276 0.000 -0.173 0.000 3/31752 430.0 1.997 1.345 1.248 0.000 -0.169 0.000 3/31752 440.0 1.955 1.316 1.222 0.000 -0.166 0.000 3/31752 450.0 1.914 1.289 1.197 0.000 -0.162 0.000 3/31752 460.0 1.875 1.263 1.173 0.000 -0.158 0.000 3/31752 470.0 1.838 1.238 1.149 0.000 -0.155 0.000 3/31752 480.0 1.802 1.214 1.127 0.000 -0.152 0.000 3/31752 490.0 1.767 1.191 1.105 0.000 -0.149 0.000 3/31752 500.0 1.734 1.168 1.085 0.000 -0.146 0.000 3/31752 510.0 1.702 1.147 1.065 0.000 -0.143 0.000 3/31752 520.0 1.672 1.126 1.046 0.000 -0.141 0.000 3/31752 530.0 1.642 1.106 1.027 0.000 -0.138 0.000 3/31752 540.0 1.613 1.087 1.009 0.000 -0.135 0.000 3/31752 550.0 1.585 1.068 0.992 0.000 -0.133 0.000 3/31752 560.0 1.559 1.051 0.975 0.000 -0.131 0.000 3/31752 570.0 1.533 1.033 0.959 0.000 -0.128 0.000 3/31752 580.0 1.508 1.016 0.944 0.000 -0.126 0.000 3/31752 590.0 1.483 1.000 0.929 0.000 -0.124 0.000 3/31752 600.0 1.460 0.984 0.914 0.000 -0.122 0.000 3/31752 610.0 1.437 0.969 0.900 0.000 -0.120 0.000 3/31752 620.0 1.415 0.954 0.886 0.000 -0.118 0.000 3/31752 630.0 1.394 0.940 0.873 0.000 -0.116 0.000 3/31752 640.0 1.373 0.926 0.860 0.000 -0.115 0.000 3/31752 650.0 1.353 0.912 0.847 0.000 -0.113 0.000 3/31752 660.0 1.333 0.899 0.835 0.000 -0.111 0.000 3/31752 670.0 1.314 0.887 0.823 0.000 -0.110 0.000 3/31752 680.0 1.296 0.874 0.812 0.000 -0.108 0.000 3/31752 690.0 1.278 0.862 0.800 0.000 -0.106 0.000 3/31752 700.0 1.260 0.850 0.790 0.000 -0.105 0.000 3/31752 710.0 1.243 0.839 0.779 0.000 -0.103 0.000 3/31752 720.0 1.227 0.828 0.769 0.000 -0.102 0.000 3/31752 730.0 1.210 0.817 0.758 0.000 -0.101 0.000 3/31752 740.0 1.195 0.806 0.749 0.000 -0.099 0.000 3/31752 750.0 1.179 0.796 0.739 0.000 -0.098 0.000 3/31752 760.0 1.164 0.786 0.730 0.000 -0.097 0.000 3/31752 770.0 1.150 0.776 0.721 0.000 -0.096 0.000 3/31752 780.0 1.136 0.767 0.712 0.000 -0.094 0.000 3/31752 790.0 1.122 0.757 0.703 0.000 -0.093 0.000 3/31752 800.0 1.108 0.748 0.695 0.000 -0.092 0.000 3/31752 810.0 1.095 0.739 0.686 0.000 -0.091 0.000 3/31752 820.0 1.082 0.731 0.678 0.000 -0.090 0.000 3/31752 830.0 1.069 0.722 0.670 0.000 -0.089 0.000 3/31752 840.0 1.057 0.714 0.663 0.000 -0.088 0.000 3/31752 850.0 1.045 0.706 0.655 0.000 -0.087 0.000 3/31752 860.0 1.033 0.698 0.648 0.000 -0.086 0.000 3/31752 870.0 1.022 0.690 0.641 0.000 -0.085 0.000 3/31752 880.0 1.011 0.682 0.634 0.000 -0.084 0.000 3/31752 890.0 1.000 0.675 0.627 0.000 -0.083 0.000 3/31752 900.0 0.989 0.668 0.620 0.000 -0.082 0.000 3/31752 910.0 0.978 0.661 0.613 0.000 -0.081 0.000 3/31752 920.0 0.968 0.654 0.607 0.000 -0.080 0.000 3/31752 930.0 0.958 0.647 0.601 0.000 -0.079 0.000 3/31752 940.0 0.948 0.640 0.594 0.000 -0.078 0.000 3/31752 950.0 0.938 0.634 0.588 0.000 -0.078 0.000 3/31752 960.0 0.929 0.627 0.582 0.000 -0.077 0.000 3/31752 970.0 0.919 0.621 0.577 0.000 -0.076 0.000 3/31752 980.0 0.910 0.615 0.571 0.000 -0.075 0.000 3/31752 990.0 0.901 0.609 0.565 0.000 -0.074 0.000 3/31752 1000.0 0.892 0.603 0.560 0.000 -0.074 0.000 3/31752 Thermal conductivity related properties were written into "kappa-m977.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:35:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|