----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:05:18]------------------------- Compiled with OpenMP support (max 48 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 8.803933041644596 0.000000000000000 0.000000000000000 b 0.000000000000000 6.345211139999998 0.000000000000000 c -1.170605275525857 0.000000000000000 12.045960188717133 Atomic positions (fractional): *1 Cl 0.17224420597738 0.24918636874963 0.06618711116598 35.453 2 Cl 0.17224420597738 0.25081363125037 0.56618711116598 35.453 3 Cl 0.82775579402262 0.75081363125037 0.93381288883402 35.453 4 Cl 0.82775579402262 0.74918636874963 0.43381288883401 35.453 *5 Cl 0.00199681939402 0.64384138722845 0.17314331402951 35.453 6 Cl 0.00199681939402 0.85615861277155 0.67314331402951 35.453 7 Cl 0.99800318060598 0.35615861277155 0.82685668597049 35.453 8 Cl 0.99800318060598 0.14384138722845 0.32685668597049 35.453 *9 Cl 0.62721118091768 0.29376898826731 0.44929356153890 35.453 10 Cl 0.62721118091768 0.20623101173269 0.94929356153890 35.453 11 Cl 0.37278881908232 0.70623101173269 0.55070643846110 35.453 12 Cl 0.37278881908232 0.79376898826731 0.05070643846110 35.453 *13 Cl 0.40842166924916 0.94529642754448 0.31857581843814 35.453 14 Cl 0.40842166924916 0.55470357245552 0.81857581843814 35.453 15 Cl 0.59157833075084 0.05470357245552 0.68142418156186 35.453 16 Cl 0.59157833075084 0.44529642754448 0.18142418156186 35.453 *17 K 0.28850920582728 0.05353389634186 0.81731976995050 39.098 18 K 0.28850920582728 0.44646610365814 0.31731976995050 39.098 19 K 0.71149079417272 0.55353389634186 0.68268023004950 39.098 20 K 0.71149079417272 0.94646610365814 0.18268023004950 39.098 *21 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 22 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 *23 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 24 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.803933041644596 0.000000000000000 0.000000000000000 b 0.000000000000000 6.345211139999998 0.000000000000000 c -1.170605275525857 0.000000000000000 12.045960188717133 Atomic positions (fractional): *1 Cl 0.17224420597738 0.24918636874963 0.06618711116598 35.453 > 1 2 Cl 0.17224420597738 0.25081363125037 0.56618711116598 35.453 > 2 3 Cl 0.82775579402262 0.75081363125037 0.93381288883402 35.453 > 3 4 Cl 0.82775579402262 0.74918636874963 0.43381288883401 35.453 > 4 *5 Cl 0.00199681939402 0.64384138722845 0.17314331402951 35.453 > 5 6 Cl 0.00199681939402 0.85615861277155 0.67314331402951 35.453 > 6 7 Cl 0.99800318060598 0.35615861277155 0.82685668597049 35.453 > 7 8 Cl 0.99800318060598 0.14384138722845 0.32685668597049 35.453 > 8 *9 Cl 0.62721118091768 0.29376898826731 0.44929356153890 35.453 > 9 10 Cl 0.62721118091768 0.20623101173269 0.94929356153890 35.453 > 10 11 Cl 0.37278881908232 0.70623101173269 0.55070643846110 35.453 > 11 12 Cl 0.37278881908232 0.79376898826731 0.05070643846110 35.453 > 12 *13 Cl 0.40842166924916 0.94529642754448 0.31857581843814 35.453 > 13 14 Cl 0.40842166924916 0.55470357245552 0.81857581843814 35.453 > 14 15 Cl 0.59157833075084 0.05470357245552 0.68142418156186 35.453 > 15 16 Cl 0.59157833075084 0.44529642754448 0.18142418156186 35.453 > 16 *17 K 0.28850920582728 0.05353389634186 0.81731976995050 39.098 > 17 18 K 0.28850920582728 0.44646610365814 0.31731976995050 39.098 > 18 19 K 0.71149079417272 0.55353389634186 0.68268023004950 39.098 > 19 20 K 0.71149079417272 0.94646610365814 0.18268023004950 39.098 > 20 *21 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 > 21 22 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 22 *23 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 > 23 24 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.607866083289192 0.000000000000000 0.000000000000000 b 0.000000000000000 12.690422279999996 0.000000000000000 c -1.170605275525857 0.000000000000000 12.045960188717133 Atomic positions (fractional): *1 Cl 0.08612210298869 0.12459318437481 0.06618711116598 35.453 > 1 2 Cl 0.58612210298869 0.12459318437481 0.06618711116598 35.453 > 1 3 Cl 0.08612210298869 0.62459318437481 0.06618711116598 35.453 > 1 4 Cl 0.58612210298869 0.62459318437481 0.06618711116598 35.453 > 1 5 Cl 0.08612210298869 0.12540681562519 0.56618711116598 35.453 > 2 6 Cl 0.58612210298869 0.12540681562519 0.56618711116598 35.453 > 2 7 Cl 0.08612210298869 0.62540681562519 0.56618711116598 35.453 > 2 8 Cl 0.58612210298869 0.62540681562519 0.56618711116598 35.453 > 2 9 Cl 0.41387789701131 0.37540681562519 0.93381288883402 35.453 > 3 10 Cl 0.91387789701131 0.37540681562519 0.93381288883402 35.453 > 3 11 Cl 0.41387789701131 0.87540681562519 0.93381288883402 35.453 > 3 12 Cl 0.91387789701131 0.87540681562519 0.93381288883402 35.453 > 3 13 Cl 0.41387789701131 0.37459318437481 0.43381288883401 35.453 > 4 14 Cl 0.91387789701131 0.37459318437481 0.43381288883401 35.453 > 4 15 Cl 0.41387789701131 0.87459318437481 0.43381288883401 35.453 > 4 16 Cl 0.91387789701131 0.87459318437481 0.43381288883401 35.453 > 4 *17 Cl 0.00099840969701 0.32192069361422 0.17314331402951 35.453 > 5 18 Cl 0.50099840969701 0.32192069361422 0.17314331402951 35.453 > 5 19 Cl 0.00099840969701 0.82192069361422 0.17314331402951 35.453 > 5 20 Cl 0.50099840969701 0.82192069361422 0.17314331402951 35.453 > 5 21 Cl 0.00099840969701 0.42807930638578 0.67314331402951 35.453 > 6 22 Cl 0.50099840969701 0.42807930638578 0.67314331402951 35.453 > 6 23 Cl 0.00099840969701 0.92807930638578 0.67314331402951 35.453 > 6 24 Cl 0.50099840969701 0.92807930638578 0.67314331402951 35.453 > 6 25 Cl 0.49900159030299 0.17807930638578 0.82685668597049 35.453 > 7 26 Cl 0.99900159030299 0.17807930638578 0.82685668597049 35.453 > 7 27 Cl 0.49900159030299 0.67807930638578 0.82685668597049 35.453 > 7 28 Cl 0.99900159030299 0.67807930638578 0.82685668597049 35.453 > 7 29 Cl 0.49900159030299 0.07192069361422 0.32685668597049 35.453 > 8 30 Cl 0.99900159030299 0.07192069361422 0.32685668597049 35.453 > 8 31 Cl 0.49900159030299 0.57192069361422 0.32685668597049 35.453 > 8 32 Cl 0.99900159030299 0.57192069361422 0.32685668597049 35.453 > 8 *33 Cl 0.31360559045884 0.14688449413365 0.44929356153890 35.453 > 9 34 Cl 0.81360559045884 0.14688449413365 0.44929356153890 35.453 > 9 35 Cl 0.31360559045884 0.64688449413365 0.44929356153890 35.453 > 9 36 Cl 0.81360559045884 0.64688449413365 0.44929356153890 35.453 > 9 37 Cl 0.31360559045884 0.10311550586635 0.94929356153890 35.453 > 10 38 Cl 0.81360559045884 0.10311550586635 0.94929356153890 35.453 > 10 39 Cl 0.31360559045884 0.60311550586635 0.94929356153890 35.453 > 10 40 Cl 0.81360559045884 0.60311550586635 0.94929356153890 35.453 > 10 41 Cl 0.18639440954116 0.35311550586635 0.55070643846110 35.453 > 11 42 Cl 0.68639440954116 0.35311550586635 0.55070643846110 35.453 > 11 43 Cl 0.18639440954116 0.85311550586635 0.55070643846110 35.453 > 11 44 Cl 0.68639440954116 0.85311550586635 0.55070643846110 35.453 > 11 45 Cl 0.18639440954116 0.39688449413365 0.05070643846110 35.453 > 12 46 Cl 0.68639440954116 0.39688449413365 0.05070643846110 35.453 > 12 47 Cl 0.18639440954116 0.89688449413365 0.05070643846110 35.453 > 12 48 Cl 0.68639440954116 0.89688449413365 0.05070643846110 35.453 > 12 *49 Cl 0.20421083462458 0.47264821377224 0.31857581843814 35.453 > 13 50 Cl 0.70421083462458 0.47264821377224 0.31857581843814 35.453 > 13 51 Cl 0.20421083462458 0.97264821377224 0.31857581843814 35.453 > 13 52 Cl 0.70421083462458 0.97264821377224 0.31857581843814 35.453 > 13 53 Cl 0.20421083462458 0.27735178622776 0.81857581843814 35.453 > 14 54 Cl 0.70421083462458 0.27735178622776 0.81857581843814 35.453 > 14 55 Cl 0.20421083462458 0.77735178622776 0.81857581843814 35.453 > 14 56 Cl 0.70421083462458 0.77735178622776 0.81857581843814 35.453 > 14 57 Cl 0.29578916537542 0.02735178622776 0.68142418156186 35.453 > 15 58 Cl 0.79578916537542 0.02735178622776 0.68142418156186 35.453 > 15 59 Cl 0.29578916537542 0.52735178622776 0.68142418156186 35.453 > 15 60 Cl 0.79578916537542 0.52735178622776 0.68142418156186 35.453 > 15 61 Cl 0.29578916537542 0.22264821377224 0.18142418156186 35.453 > 16 62 Cl 0.79578916537542 0.22264821377224 0.18142418156186 35.453 > 16 63 Cl 0.29578916537542 0.72264821377224 0.18142418156186 35.453 > 16 64 Cl 0.79578916537542 0.72264821377224 0.18142418156186 35.453 > 16 *65 K 0.14425460291364 0.02676694817093 0.81731976995050 39.098 > 17 66 K 0.64425460291364 0.02676694817093 0.81731976995050 39.098 > 17 67 K 0.14425460291364 0.52676694817093 0.81731976995050 39.098 > 17 68 K 0.64425460291364 0.52676694817093 0.81731976995050 39.098 > 17 69 K 0.14425460291364 0.22323305182907 0.31731976995050 39.098 > 18 70 K 0.64425460291364 0.22323305182907 0.31731976995050 39.098 > 18 71 K 0.14425460291364 0.72323305182907 0.31731976995050 39.098 > 18 72 K 0.64425460291364 0.72323305182907 0.31731976995050 39.098 > 18 73 K 0.35574539708636 0.27676694817093 0.68268023004950 39.098 > 19 74 K 0.85574539708636 0.27676694817093 0.68268023004950 39.098 > 19 75 K 0.35574539708636 0.77676694817093 0.68268023004950 39.098 > 19 76 K 0.85574539708636 0.77676694817093 0.68268023004950 39.098 > 19 77 K 0.35574539708636 0.47323305182907 0.18268023004950 39.098 > 20 78 K 0.85574539708636 0.47323305182907 0.18268023004950 39.098 > 20 79 K 0.35574539708636 0.97323305182907 0.18268023004950 39.098 > 20 80 K 0.85574539708636 0.97323305182907 0.18268023004950 39.098 > 20 *81 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 21 82 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 21 83 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 21 84 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 21 85 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 22 86 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 22 87 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 22 88 Au 0.50000000000000 0.50000000000000 0.50000000000000 196.967 > 22 *89 Au 0.25000000000000 0.25000000000000 0.00000000000000 196.967 > 23 90 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 23 91 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 23 92 Au 0.75000000000000 0.75000000000000 0.00000000000000 196.967 > 23 93 Au 0.25000000000000 0.00000000000000 0.50000000000000 196.967 > 24 94 Au 0.75000000000000 0.00000000000000 0.50000000000000 196.967 > 24 95 Au 0.25000000000000 0.50000000000000 0.50000000000000 196.967 > 24 96 Au 0.75000000000000 0.50000000000000 0.50000000000000 196.967 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0355253 0.0000000 0.0844033 0.0000000 3.4279233 0.0000000 0.0844017 0.0000000 3.9415864 -------------------------- Born effective charges -------------------------- 1 Cl -0.9842135 0.3906222 -0.2395392 0.4704777 -0.7329397 0.4100634 -0.1580286 0.2630049 -0.3961003 2 Cl -0.9842135 -0.3906222 -0.2395392 -0.4704777 -0.7329397 -0.4100634 -0.1580286 -0.2630049 -0.3961003 3 Cl -0.9842135 0.3906222 -0.2395392 0.4704777 -0.7329397 0.4100634 -0.1580286 0.2630049 -0.3961003 4 Cl -0.9842135 -0.3906222 -0.2395392 -0.4704777 -0.7329397 -0.4100634 -0.1580286 -0.2630049 -0.3961003 5 Cl -0.3651949 0.0221135 0.0389211 0.0192141 -0.3383336 -0.2806857 -0.0277158 -0.2456784 -1.0995728 6 Cl -0.3651949 -0.0221135 0.0389211 -0.0192141 -0.3383336 0.2806857 -0.0277158 0.2456784 -1.0995728 7 Cl -0.3651949 0.0221135 0.0389211 0.0192141 -0.3383336 -0.2806857 -0.0277158 -0.2456784 -1.0995728 8 Cl -0.3651949 -0.0221135 0.0389211 -0.0192141 -0.3383336 0.2806857 -0.0277158 0.2456784 -1.0995728 9 Cl -0.5975212 -0.3209821 0.1324946 -0.3076133 -1.0327538 0.3071921 0.1817051 0.3296992 -0.3949854 10 Cl -0.5975212 0.3209821 0.1324946 0.3076133 -1.0327538 -0.3071921 0.1817051 -0.3296992 -0.3949854 11 Cl -0.5975212 -0.3209821 0.1324946 -0.3076133 -1.0327538 0.3071921 0.1817051 0.3296992 -0.3949854 12 Cl -0.5975212 0.3209821 0.1324946 0.3076133 -1.0327538 -0.3071921 0.1817051 -0.3296992 -0.3949854 13 Cl -0.3753608 0.0730872 -0.1714877 -0.0120419 -0.2910296 -0.1481797 -0.2031204 -0.0770847 -0.9691502 14 Cl -0.3753608 -0.0730872 -0.1714877 0.0120419 -0.2910296 0.1481797 -0.2031204 0.0770847 -0.9691502 15 Cl -0.3753608 0.0730872 -0.1714877 -0.0120419 -0.2910296 -0.1481797 -0.2031204 -0.0770847 -0.9691502 16 Cl -0.3753608 -0.0730872 -0.1714877 0.0120419 -0.2910296 0.1481797 -0.2031204 0.0770847 -0.9691502 17 K 1.2046983 -0.1260971 0.0673611 -0.0970410 1.2414009 0.0429391 0.0207342 0.1019310 1.3315679 18 K 1.2046983 0.1260971 0.0673611 0.0970410 1.2414009 -0.0429391 0.0207342 -0.1019310 1.3315679 19 K 1.2046983 0.1260971 0.0673611 0.0970410 1.2414009 -0.0429391 0.0207342 -0.1019310 1.3315679 20 K 1.2046983 -0.1260971 0.0673611 -0.0970410 1.2414009 0.0429391 0.0207342 0.1019310 1.3315679 21 Au 1.1118270 -0.6791940 0.4233091 -0.7474578 1.0347957 -0.0658143 0.3151198 0.1224801 1.6307701 22 Au 1.1118270 0.6791940 0.4233091 0.7474578 1.0347957 0.0658143 0.3151198 -0.1224801 1.6307701 23 Au 1.1233575 -0.5136318 -0.0788088 -0.7736513 1.2725160 0.0709669 0.0577312 0.2332324 1.4257114 24 Au 1.1233575 0.5136318 -0.0788088 0.7736513 1.2725160 -0.0709669 0.0577312 -0.2332324 1.4257114 ---------------------------------------------------------------------------- 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: 2718 Number of blocks in projector: 2718 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: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 236 eigenvectors found. (2) Block: 500 / 580 (2) 238 eigenvectors found. (2) Block: 580 / 580 (2) 70 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 236 eigenvectors found. (2) Block: 500 / 580 (2) 238 eigenvectors found. (2) Block: 580 / 580 (2) 70 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 237 eigenvectors found. (2) Block: 500 / 580 (2) 239 eigenvectors found. (2) Block: 580 / 580 (2) 73 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 567 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: 326 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 326 Use standard eigh solver. Tree of FC basis block matrices: - (2718, 2656), data: False |-- (326, 319), data: True |-- (326, 319), data: True |-- (326, 319), data: True |-- (580, 567), data: False |-- (580, 567), data: False |-- (580, 18), data: (580, 31) @ (31, 18) |-- (80, 73), data: True |-- (250, 239), data: True |-- (250, 237), data: True |-- (580, 566), data: False |-- (580, 566), data: False |-- (580, 22), data: (580, 36) @ (36, 22) |-- (80, 70), data: True |-- (250, 238), data: True |-- (250, 236), data: True |-- (580, 566), data: False |-- (580, 566), data: False |-- (580, 22), data: (580, 36) @ (36, 22) |-- (80, 70), data: True |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 0.870 Solver_block: 200 / 720 - Time: 0.800 Solver_block: 300 / 720 - Time: 0.803 Solver_block: 400 / 720 - Time: 0.802 Solver_block: 500 / 720 - Time: 0.799 Solver_block: 600 / 720 - Time: 0.802 Solver_block: 700 / 720 - Time: 0.813 Solver_block: 720 / 720 - Time: 0.263 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.055 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 2718 Number of blocks in projector: 2718 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: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 236 eigenvectors found. (2) Block: 500 / 580 (2) 238 eigenvectors found. (2) Block: 580 / 580 (2) 70 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 236 eigenvectors found. (2) Block: 500 / 580 (2) 238 eigenvectors found. (2) Block: 580 / 580 (2) 70 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 237 eigenvectors found. (2) Block: 500 / 580 (2) 239 eigenvectors found. (2) Block: 580 / 580 (2) 73 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 567 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: 326 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 326 Use standard eigh solver. Tree of FC basis block matrices: - (2718, 2656), data: False |-- (326, 319), data: True |-- (326, 319), data: True |-- (326, 319), data: True |-- (580, 567), data: False |-- (580, 567), data: False |-- (580, 18), data: (580, 31) @ (31, 18) |-- (80, 73), data: True |-- (250, 239), data: True |-- (250, 237), data: True |-- (580, 566), data: False |-- (580, 566), data: False |-- (580, 22), data: (580, 36) @ (36, 22) |-- (80, 70), data: True |-- (250, 238), data: True |-- (250, 236), data: True |-- (580, 566), data: False |-- (580, 566), data: False |-- (580, 22), data: (580, 36) @ (36, 22) |-- (80, 70), data: True |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:05:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:05:56]------------------------- Compiled with OpenMP support (max 48 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 8.803933041644596 0.000000000000000 0.000000000000000 b 0.000000000000000 6.345211139999998 0.000000000000000 c -1.170605275525857 0.000000000000000 12.045960188717133 Atomic positions (fractional): 1 Cl 0.17224420597738 0.24918636874963 0.06618711116598 35.453 2 Cl 0.17224420597738 0.25081363125037 0.56618711116598 35.453 3 Cl 0.82775579402262 0.75081363125037 0.93381288883402 35.453 4 Cl 0.82775579402262 0.74918636874963 0.43381288883401 35.453 5 Cl 0.00199681939402 0.64384138722845 0.17314331402951 35.453 6 Cl 0.00199681939402 0.85615861277155 0.67314331402951 35.453 7 Cl 0.99800318060598 0.35615861277155 0.82685668597049 35.453 8 Cl 0.99800318060598 0.14384138722845 0.32685668597049 35.453 9 Cl 0.62721118091768 0.29376898826731 0.44929356153890 35.453 10 Cl 0.62721118091768 0.20623101173269 0.94929356153890 35.453 11 Cl 0.37278881908232 0.70623101173269 0.55070643846110 35.453 12 Cl 0.37278881908232 0.79376898826731 0.05070643846110 35.453 13 Cl 0.40842166924916 0.94529642754448 0.31857581843814 35.453 14 Cl 0.40842166924916 0.55470357245552 0.81857581843814 35.453 15 Cl 0.59157833075084 0.05470357245552 0.68142418156186 35.453 16 Cl 0.59157833075084 0.44529642754448 0.18142418156186 35.453 17 K 0.28850920582728 0.05353389634186 0.81731976995050 39.098 18 K 0.28850920582728 0.44646610365814 0.31731976995050 39.098 19 K 0.71149079417272 0.55353389634186 0.68268023004950 39.098 20 K 0.71149079417272 0.94646610365814 0.18268023004950 39.098 21 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 22 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 23 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 24 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.607866083289192 0.000000000000000 0.000000000000000 b 0.000000000000000 12.690422279999996 0.000000000000000 c -1.170605275525857 0.000000000000000 12.045960188717133 Atomic positions (fractional): 1 Cl 0.08612210298869 0.12459318437481 0.06618711116598 35.453 > 1 2 Cl 0.58612210298869 0.12459318437481 0.06618711116598 35.453 > 1 3 Cl 0.08612210298869 0.62459318437481 0.06618711116598 35.453 > 1 4 Cl 0.58612210298869 0.62459318437481 0.06618711116598 35.453 > 1 5 Cl 0.08612210298869 0.12540681562519 0.56618711116598 35.453 > 5 6 Cl 0.58612210298869 0.12540681562519 0.56618711116598 35.453 > 5 7 Cl 0.08612210298869 0.62540681562519 0.56618711116598 35.453 > 5 8 Cl 0.58612210298869 0.62540681562519 0.56618711116598 35.453 > 5 9 Cl 0.41387789701131 0.37540681562519 0.93381288883402 35.453 > 9 10 Cl 0.91387789701131 0.37540681562519 0.93381288883402 35.453 > 9 11 Cl 0.41387789701131 0.87540681562519 0.93381288883402 35.453 > 9 12 Cl 0.91387789701131 0.87540681562519 0.93381288883402 35.453 > 9 13 Cl 0.41387789701131 0.37459318437481 0.43381288883401 35.453 > 13 14 Cl 0.91387789701131 0.37459318437481 0.43381288883401 35.453 > 13 15 Cl 0.41387789701131 0.87459318437481 0.43381288883401 35.453 > 13 16 Cl 0.91387789701131 0.87459318437481 0.43381288883401 35.453 > 13 17 Cl 0.00099840969701 0.32192069361422 0.17314331402951 35.453 > 17 18 Cl 0.50099840969701 0.32192069361422 0.17314331402951 35.453 > 17 19 Cl 0.00099840969701 0.82192069361422 0.17314331402951 35.453 > 17 20 Cl 0.50099840969701 0.82192069361422 0.17314331402951 35.453 > 17 21 Cl 0.00099840969701 0.42807930638578 0.67314331402951 35.453 > 21 22 Cl 0.50099840969701 0.42807930638578 0.67314331402951 35.453 > 21 23 Cl 0.00099840969701 0.92807930638578 0.67314331402951 35.453 > 21 24 Cl 0.50099840969701 0.92807930638578 0.67314331402951 35.453 > 21 25 Cl 0.49900159030299 0.17807930638578 0.82685668597049 35.453 > 25 26 Cl 0.99900159030299 0.17807930638578 0.82685668597049 35.453 > 25 27 Cl 0.49900159030299 0.67807930638578 0.82685668597049 35.453 > 25 28 Cl 0.99900159030299 0.67807930638578 0.82685668597049 35.453 > 25 29 Cl 0.49900159030299 0.07192069361422 0.32685668597049 35.453 > 29 30 Cl 0.99900159030299 0.07192069361422 0.32685668597049 35.453 > 29 31 Cl 0.49900159030299 0.57192069361422 0.32685668597049 35.453 > 29 32 Cl 0.99900159030299 0.57192069361422 0.32685668597049 35.453 > 29 33 Cl 0.31360559045884 0.14688449413365 0.44929356153890 35.453 > 33 34 Cl 0.81360559045884 0.14688449413365 0.44929356153890 35.453 > 33 35 Cl 0.31360559045884 0.64688449413365 0.44929356153890 35.453 > 33 36 Cl 0.81360559045884 0.64688449413365 0.44929356153890 35.453 > 33 37 Cl 0.31360559045884 0.10311550586635 0.94929356153890 35.453 > 37 38 Cl 0.81360559045884 0.10311550586635 0.94929356153890 35.453 > 37 39 Cl 0.31360559045884 0.60311550586635 0.94929356153890 35.453 > 37 40 Cl 0.81360559045884 0.60311550586635 0.94929356153890 35.453 > 37 41 Cl 0.18639440954116 0.35311550586635 0.55070643846110 35.453 > 41 42 Cl 0.68639440954116 0.35311550586635 0.55070643846110 35.453 > 41 43 Cl 0.18639440954116 0.85311550586635 0.55070643846110 35.453 > 41 44 Cl 0.68639440954116 0.85311550586635 0.55070643846110 35.453 > 41 45 Cl 0.18639440954116 0.39688449413365 0.05070643846110 35.453 > 45 46 Cl 0.68639440954116 0.39688449413365 0.05070643846110 35.453 > 45 47 Cl 0.18639440954116 0.89688449413365 0.05070643846110 35.453 > 45 48 Cl 0.68639440954116 0.89688449413365 0.05070643846110 35.453 > 45 49 Cl 0.20421083462458 0.47264821377224 0.31857581843814 35.453 > 49 50 Cl 0.70421083462458 0.47264821377224 0.31857581843814 35.453 > 49 51 Cl 0.20421083462458 0.97264821377224 0.31857581843814 35.453 > 49 52 Cl 0.70421083462458 0.97264821377224 0.31857581843814 35.453 > 49 53 Cl 0.20421083462458 0.27735178622776 0.81857581843814 35.453 > 53 54 Cl 0.70421083462458 0.27735178622776 0.81857581843814 35.453 > 53 55 Cl 0.20421083462458 0.77735178622776 0.81857581843814 35.453 > 53 56 Cl 0.70421083462458 0.77735178622776 0.81857581843814 35.453 > 53 57 Cl 0.29578916537542 0.02735178622776 0.68142418156186 35.453 > 57 58 Cl 0.79578916537542 0.02735178622776 0.68142418156186 35.453 > 57 59 Cl 0.29578916537542 0.52735178622776 0.68142418156186 35.453 > 57 60 Cl 0.79578916537542 0.52735178622776 0.68142418156186 35.453 > 57 61 Cl 0.29578916537542 0.22264821377224 0.18142418156186 35.453 > 61 62 Cl 0.79578916537542 0.22264821377224 0.18142418156186 35.453 > 61 63 Cl 0.29578916537542 0.72264821377224 0.18142418156186 35.453 > 61 64 Cl 0.79578916537542 0.72264821377224 0.18142418156186 35.453 > 61 65 K 0.14425460291364 0.02676694817093 0.81731976995050 39.098 > 65 66 K 0.64425460291364 0.02676694817093 0.81731976995050 39.098 > 65 67 K 0.14425460291364 0.52676694817093 0.81731976995050 39.098 > 65 68 K 0.64425460291364 0.52676694817093 0.81731976995050 39.098 > 65 69 K 0.14425460291364 0.22323305182907 0.31731976995050 39.098 > 69 70 K 0.64425460291364 0.22323305182907 0.31731976995050 39.098 > 69 71 K 0.14425460291364 0.72323305182907 0.31731976995050 39.098 > 69 72 K 0.64425460291364 0.72323305182907 0.31731976995050 39.098 > 69 73 K 0.35574539708636 0.27676694817093 0.68268023004950 39.098 > 73 74 K 0.85574539708636 0.27676694817093 0.68268023004950 39.098 > 73 75 K 0.35574539708636 0.77676694817093 0.68268023004950 39.098 > 73 76 K 0.85574539708636 0.77676694817093 0.68268023004950 39.098 > 73 77 K 0.35574539708636 0.47323305182907 0.18268023004950 39.098 > 77 78 K 0.85574539708636 0.47323305182907 0.18268023004950 39.098 > 77 79 K 0.35574539708636 0.97323305182907 0.18268023004950 39.098 > 77 80 K 0.85574539708636 0.97323305182907 0.18268023004950 39.098 > 77 81 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 81 82 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 81 83 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 81 84 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 81 85 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 85 86 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 85 87 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 85 88 Au 0.50000000000000 0.50000000000000 0.50000000000000 196.967 > 85 89 Au 0.25000000000000 0.25000000000000 0.00000000000000 196.967 > 89 90 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 89 91 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 89 92 Au 0.75000000000000 0.75000000000000 0.00000000000000 196.967 > 89 93 Au 0.25000000000000 0.00000000000000 0.50000000000000 196.967 > 93 94 Au 0.75000000000000 0.00000000000000 0.50000000000000 196.967 > 93 95 Au 0.25000000000000 0.50000000000000 0.50000000000000 196.967 > 93 96 Au 0.75000000000000 0.50000000000000 0.50000000000000 196.967 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0355253 0.0000000 0.0844033 0.0000000 3.4279233 0.0000000 0.0844017 0.0000000 3.9415864 -------------------------- Born effective charges -------------------------- 1 Cl -0.9842135 0.3906222 -0.2395392 0.4704777 -0.7329397 0.4100634 -0.1580286 0.2630049 -0.3961003 2 Cl -0.9842135 -0.3906222 -0.2395392 -0.4704777 -0.7329397 -0.4100634 -0.1580286 -0.2630049 -0.3961003 3 Cl -0.9842135 0.3906222 -0.2395392 0.4704777 -0.7329397 0.4100634 -0.1580286 0.2630049 -0.3961003 4 Cl -0.9842135 -0.3906222 -0.2395392 -0.4704777 -0.7329397 -0.4100634 -0.1580286 -0.2630049 -0.3961003 5 Cl -0.3651949 0.0221135 0.0389211 0.0192141 -0.3383336 -0.2806857 -0.0277158 -0.2456784 -1.0995728 6 Cl -0.3651949 -0.0221135 0.0389211 -0.0192141 -0.3383336 0.2806857 -0.0277158 0.2456784 -1.0995728 7 Cl -0.3651949 0.0221135 0.0389211 0.0192141 -0.3383336 -0.2806857 -0.0277158 -0.2456784 -1.0995728 8 Cl -0.3651949 -0.0221135 0.0389211 -0.0192141 -0.3383336 0.2806857 -0.0277158 0.2456784 -1.0995728 9 Cl -0.5975212 -0.3209821 0.1324946 -0.3076133 -1.0327538 0.3071921 0.1817051 0.3296992 -0.3949854 10 Cl -0.5975212 0.3209821 0.1324946 0.3076133 -1.0327538 -0.3071921 0.1817051 -0.3296992 -0.3949854 11 Cl -0.5975212 -0.3209821 0.1324946 -0.3076133 -1.0327538 0.3071921 0.1817051 0.3296992 -0.3949854 12 Cl -0.5975212 0.3209821 0.1324946 0.3076133 -1.0327538 -0.3071921 0.1817051 -0.3296992 -0.3949854 13 Cl -0.3753608 0.0730872 -0.1714877 -0.0120419 -0.2910296 -0.1481797 -0.2031204 -0.0770847 -0.9691502 14 Cl -0.3753608 -0.0730872 -0.1714877 0.0120419 -0.2910296 0.1481797 -0.2031204 0.0770847 -0.9691502 15 Cl -0.3753608 0.0730872 -0.1714877 -0.0120419 -0.2910296 -0.1481797 -0.2031204 -0.0770847 -0.9691502 16 Cl -0.3753608 -0.0730872 -0.1714877 0.0120419 -0.2910296 0.1481797 -0.2031204 0.0770847 -0.9691502 17 K 1.2046983 -0.1260971 0.0673611 -0.0970410 1.2414009 0.0429391 0.0207342 0.1019310 1.3315679 18 K 1.2046983 0.1260971 0.0673611 0.0970410 1.2414009 -0.0429391 0.0207342 -0.1019310 1.3315679 19 K 1.2046983 0.1260971 0.0673611 0.0970410 1.2414009 -0.0429391 0.0207342 -0.1019310 1.3315679 20 K 1.2046983 -0.1260971 0.0673611 -0.0970410 1.2414009 0.0429391 0.0207342 0.1019310 1.3315679 21 Au 1.1118270 -0.6791940 0.4233091 -0.7474578 1.0347957 -0.0658143 0.3151198 0.1224801 1.6307701 22 Au 1.1118270 0.6791940 0.4233091 0.7474578 1.0347957 0.0658143 0.3151198 -0.1224801 1.6307701 23 Au 1.1233575 -0.5136318 -0.0788088 -0.7736513 1.2725160 0.0709669 0.0577312 0.2332324 1.4257114 24 Au 1.1233575 0.5136318 -0.0788088 0.7736513 1.2725160 -0.0709669 0.0577312 -0.2332324 1.4257114 ---------------------------------------------------------------------------- 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 89, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:06:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:06:24]------------------------- Compiled with OpenMP support (max 48 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 8.803933041644596 0.000000000000000 0.000000000000000 b 0.000000000000000 6.345211139999998 0.000000000000000 c -1.170605275525857 0.000000000000000 12.045960188717133 Atomic positions (fractional): 1 Cl 0.17224420597738 0.24918636874963 0.06618711116598 35.453 2 Cl 0.17224420597738 0.25081363125037 0.56618711116598 35.453 3 Cl 0.82775579402262 0.75081363125037 0.93381288883402 35.453 4 Cl 0.82775579402262 0.74918636874963 0.43381288883401 35.453 5 Cl 0.00199681939402 0.64384138722845 0.17314331402951 35.453 6 Cl 0.00199681939402 0.85615861277155 0.67314331402951 35.453 7 Cl 0.99800318060598 0.35615861277155 0.82685668597049 35.453 8 Cl 0.99800318060598 0.14384138722845 0.32685668597049 35.453 9 Cl 0.62721118091768 0.29376898826731 0.44929356153890 35.453 10 Cl 0.62721118091768 0.20623101173269 0.94929356153890 35.453 11 Cl 0.37278881908232 0.70623101173269 0.55070643846110 35.453 12 Cl 0.37278881908232 0.79376898826731 0.05070643846110 35.453 13 Cl 0.40842166924916 0.94529642754448 0.31857581843814 35.453 14 Cl 0.40842166924916 0.55470357245552 0.81857581843814 35.453 15 Cl 0.59157833075084 0.05470357245552 0.68142418156186 35.453 16 Cl 0.59157833075084 0.44529642754448 0.18142418156186 35.453 17 K 0.28850920582728 0.05353389634186 0.81731976995050 39.098 18 K 0.28850920582728 0.44646610365814 0.31731976995050 39.098 19 K 0.71149079417272 0.55353389634186 0.68268023004950 39.098 20 K 0.71149079417272 0.94646610365814 0.18268023004950 39.098 21 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 22 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 23 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 24 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.607866083289192 0.000000000000000 0.000000000000000 b 0.000000000000000 12.690422279999996 0.000000000000000 c -1.170605275525857 0.000000000000000 12.045960188717133 Atomic positions (fractional): 1 Cl 0.08612210298869 0.12459318437481 0.06618711116598 35.453 > 1 2 Cl 0.58612210298869 0.12459318437481 0.06618711116598 35.453 > 1 3 Cl 0.08612210298869 0.62459318437481 0.06618711116598 35.453 > 1 4 Cl 0.58612210298869 0.62459318437481 0.06618711116598 35.453 > 1 5 Cl 0.08612210298869 0.12540681562519 0.56618711116598 35.453 > 5 6 Cl 0.58612210298869 0.12540681562519 0.56618711116598 35.453 > 5 7 Cl 0.08612210298869 0.62540681562519 0.56618711116598 35.453 > 5 8 Cl 0.58612210298869 0.62540681562519 0.56618711116598 35.453 > 5 9 Cl 0.41387789701131 0.37540681562519 0.93381288883402 35.453 > 9 10 Cl 0.91387789701131 0.37540681562519 0.93381288883402 35.453 > 9 11 Cl 0.41387789701131 0.87540681562519 0.93381288883402 35.453 > 9 12 Cl 0.91387789701131 0.87540681562519 0.93381288883402 35.453 > 9 13 Cl 0.41387789701131 0.37459318437481 0.43381288883401 35.453 > 13 14 Cl 0.91387789701131 0.37459318437481 0.43381288883401 35.453 > 13 15 Cl 0.41387789701131 0.87459318437481 0.43381288883401 35.453 > 13 16 Cl 0.91387789701131 0.87459318437481 0.43381288883401 35.453 > 13 17 Cl 0.00099840969701 0.32192069361422 0.17314331402951 35.453 > 17 18 Cl 0.50099840969701 0.32192069361422 0.17314331402951 35.453 > 17 19 Cl 0.00099840969701 0.82192069361422 0.17314331402951 35.453 > 17 20 Cl 0.50099840969701 0.82192069361422 0.17314331402951 35.453 > 17 21 Cl 0.00099840969701 0.42807930638578 0.67314331402951 35.453 > 21 22 Cl 0.50099840969701 0.42807930638578 0.67314331402951 35.453 > 21 23 Cl 0.00099840969701 0.92807930638578 0.67314331402951 35.453 > 21 24 Cl 0.50099840969701 0.92807930638578 0.67314331402951 35.453 > 21 25 Cl 0.49900159030299 0.17807930638578 0.82685668597049 35.453 > 25 26 Cl 0.99900159030299 0.17807930638578 0.82685668597049 35.453 > 25 27 Cl 0.49900159030299 0.67807930638578 0.82685668597049 35.453 > 25 28 Cl 0.99900159030299 0.67807930638578 0.82685668597049 35.453 > 25 29 Cl 0.49900159030299 0.07192069361422 0.32685668597049 35.453 > 29 30 Cl 0.99900159030299 0.07192069361422 0.32685668597049 35.453 > 29 31 Cl 0.49900159030299 0.57192069361422 0.32685668597049 35.453 > 29 32 Cl 0.99900159030299 0.57192069361422 0.32685668597049 35.453 > 29 33 Cl 0.31360559045884 0.14688449413365 0.44929356153890 35.453 > 33 34 Cl 0.81360559045884 0.14688449413365 0.44929356153890 35.453 > 33 35 Cl 0.31360559045884 0.64688449413365 0.44929356153890 35.453 > 33 36 Cl 0.81360559045884 0.64688449413365 0.44929356153890 35.453 > 33 37 Cl 0.31360559045884 0.10311550586635 0.94929356153890 35.453 > 37 38 Cl 0.81360559045884 0.10311550586635 0.94929356153890 35.453 > 37 39 Cl 0.31360559045884 0.60311550586635 0.94929356153890 35.453 > 37 40 Cl 0.81360559045884 0.60311550586635 0.94929356153890 35.453 > 37 41 Cl 0.18639440954116 0.35311550586635 0.55070643846110 35.453 > 41 42 Cl 0.68639440954116 0.35311550586635 0.55070643846110 35.453 > 41 43 Cl 0.18639440954116 0.85311550586635 0.55070643846110 35.453 > 41 44 Cl 0.68639440954116 0.85311550586635 0.55070643846110 35.453 > 41 45 Cl 0.18639440954116 0.39688449413365 0.05070643846110 35.453 > 45 46 Cl 0.68639440954116 0.39688449413365 0.05070643846110 35.453 > 45 47 Cl 0.18639440954116 0.89688449413365 0.05070643846110 35.453 > 45 48 Cl 0.68639440954116 0.89688449413365 0.05070643846110 35.453 > 45 49 Cl 0.20421083462458 0.47264821377224 0.31857581843814 35.453 > 49 50 Cl 0.70421083462458 0.47264821377224 0.31857581843814 35.453 > 49 51 Cl 0.20421083462458 0.97264821377224 0.31857581843814 35.453 > 49 52 Cl 0.70421083462458 0.97264821377224 0.31857581843814 35.453 > 49 53 Cl 0.20421083462458 0.27735178622776 0.81857581843814 35.453 > 53 54 Cl 0.70421083462458 0.27735178622776 0.81857581843814 35.453 > 53 55 Cl 0.20421083462458 0.77735178622776 0.81857581843814 35.453 > 53 56 Cl 0.70421083462458 0.77735178622776 0.81857581843814 35.453 > 53 57 Cl 0.29578916537542 0.02735178622776 0.68142418156186 35.453 > 57 58 Cl 0.79578916537542 0.02735178622776 0.68142418156186 35.453 > 57 59 Cl 0.29578916537542 0.52735178622776 0.68142418156186 35.453 > 57 60 Cl 0.79578916537542 0.52735178622776 0.68142418156186 35.453 > 57 61 Cl 0.29578916537542 0.22264821377224 0.18142418156186 35.453 > 61 62 Cl 0.79578916537542 0.22264821377224 0.18142418156186 35.453 > 61 63 Cl 0.29578916537542 0.72264821377224 0.18142418156186 35.453 > 61 64 Cl 0.79578916537542 0.72264821377224 0.18142418156186 35.453 > 61 65 K 0.14425460291364 0.02676694817093 0.81731976995050 39.098 > 65 66 K 0.64425460291364 0.02676694817093 0.81731976995050 39.098 > 65 67 K 0.14425460291364 0.52676694817093 0.81731976995050 39.098 > 65 68 K 0.64425460291364 0.52676694817093 0.81731976995050 39.098 > 65 69 K 0.14425460291364 0.22323305182907 0.31731976995050 39.098 > 69 70 K 0.64425460291364 0.22323305182907 0.31731976995050 39.098 > 69 71 K 0.14425460291364 0.72323305182907 0.31731976995050 39.098 > 69 72 K 0.64425460291364 0.72323305182907 0.31731976995050 39.098 > 69 73 K 0.35574539708636 0.27676694817093 0.68268023004950 39.098 > 73 74 K 0.85574539708636 0.27676694817093 0.68268023004950 39.098 > 73 75 K 0.35574539708636 0.77676694817093 0.68268023004950 39.098 > 73 76 K 0.85574539708636 0.77676694817093 0.68268023004950 39.098 > 73 77 K 0.35574539708636 0.47323305182907 0.18268023004950 39.098 > 77 78 K 0.85574539708636 0.47323305182907 0.18268023004950 39.098 > 77 79 K 0.35574539708636 0.97323305182907 0.18268023004950 39.098 > 77 80 K 0.85574539708636 0.97323305182907 0.18268023004950 39.098 > 77 81 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 81 82 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 81 83 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 81 84 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 81 85 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 85 86 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 85 87 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 85 88 Au 0.50000000000000 0.50000000000000 0.50000000000000 196.967 > 85 89 Au 0.25000000000000 0.25000000000000 0.00000000000000 196.967 > 89 90 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 89 91 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 89 92 Au 0.75000000000000 0.75000000000000 0.00000000000000 196.967 > 89 93 Au 0.25000000000000 0.00000000000000 0.50000000000000 196.967 > 93 94 Au 0.75000000000000 0.00000000000000 0.50000000000000 196.967 > 93 95 Au 0.25000000000000 0.50000000000000 0.50000000000000 196.967 > 93 96 Au 0.75000000000000 0.50000000000000 0.50000000000000 196.967 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0355253 0.0000000 0.0844033 0.0000000 3.4279233 0.0000000 0.0844017 0.0000000 3.9415864 -------------------------- Born effective charges -------------------------- 1 Cl -0.9842135 0.3906222 -0.2395392 0.4704777 -0.7329397 0.4100634 -0.1580286 0.2630049 -0.3961003 2 Cl -0.9842135 -0.3906222 -0.2395392 -0.4704777 -0.7329397 -0.4100634 -0.1580286 -0.2630049 -0.3961003 3 Cl -0.9842135 0.3906222 -0.2395392 0.4704777 -0.7329397 0.4100634 -0.1580286 0.2630049 -0.3961003 4 Cl -0.9842135 -0.3906222 -0.2395392 -0.4704777 -0.7329397 -0.4100634 -0.1580286 -0.2630049 -0.3961003 5 Cl -0.3651949 0.0221135 0.0389211 0.0192141 -0.3383336 -0.2806857 -0.0277158 -0.2456784 -1.0995728 6 Cl -0.3651949 -0.0221135 0.0389211 -0.0192141 -0.3383336 0.2806857 -0.0277158 0.2456784 -1.0995728 7 Cl -0.3651949 0.0221135 0.0389211 0.0192141 -0.3383336 -0.2806857 -0.0277158 -0.2456784 -1.0995728 8 Cl -0.3651949 -0.0221135 0.0389211 -0.0192141 -0.3383336 0.2806857 -0.0277158 0.2456784 -1.0995728 9 Cl -0.5975212 -0.3209821 0.1324946 -0.3076133 -1.0327538 0.3071921 0.1817051 0.3296992 -0.3949854 10 Cl -0.5975212 0.3209821 0.1324946 0.3076133 -1.0327538 -0.3071921 0.1817051 -0.3296992 -0.3949854 11 Cl -0.5975212 -0.3209821 0.1324946 -0.3076133 -1.0327538 0.3071921 0.1817051 0.3296992 -0.3949854 12 Cl -0.5975212 0.3209821 0.1324946 0.3076133 -1.0327538 -0.3071921 0.1817051 -0.3296992 -0.3949854 13 Cl -0.3753608 0.0730872 -0.1714877 -0.0120419 -0.2910296 -0.1481797 -0.2031204 -0.0770847 -0.9691502 14 Cl -0.3753608 -0.0730872 -0.1714877 0.0120419 -0.2910296 0.1481797 -0.2031204 0.0770847 -0.9691502 15 Cl -0.3753608 0.0730872 -0.1714877 -0.0120419 -0.2910296 -0.1481797 -0.2031204 -0.0770847 -0.9691502 16 Cl -0.3753608 -0.0730872 -0.1714877 0.0120419 -0.2910296 0.1481797 -0.2031204 0.0770847 -0.9691502 17 K 1.2046983 -0.1260971 0.0673611 -0.0970410 1.2414009 0.0429391 0.0207342 0.1019310 1.3315679 18 K 1.2046983 0.1260971 0.0673611 0.0970410 1.2414009 -0.0429391 0.0207342 -0.1019310 1.3315679 19 K 1.2046983 0.1260971 0.0673611 0.0970410 1.2414009 -0.0429391 0.0207342 -0.1019310 1.3315679 20 K 1.2046983 -0.1260971 0.0673611 -0.0970410 1.2414009 0.0429391 0.0207342 0.1019310 1.3315679 21 Au 1.1118270 -0.6791940 0.4233091 -0.7474578 1.0347957 -0.0658143 0.3151198 0.1224801 1.6307701 22 Au 1.1118270 0.6791940 0.4233091 0.7474578 1.0347957 0.0658143 0.3151198 -0.1224801 1.6307701 23 Au 1.1233575 -0.5136318 -0.0788088 -0.7736513 1.2725160 0.0709669 0.0577312 0.2332324 1.4257114 24 Au 1.1233575 0.5136318 -0.0788088 0.7736513 1.2725160 -0.0709669 0.0577312 -0.2332324 1.4257114 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 6 8 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 295, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 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 0.701 ( 0.000 0.000 0.000) 0.000 0.751 ( 0.000 0.000 0.000) 0.000 0.766 ( 0.000 0.000 0.000) 0.000 0.825 ( 0.000 0.000 0.000) 0.000 0.908 ( 0.000 0.000 0.000) 0.000 1.016 ( 0.000 0.000 0.000) 0.000 1.108 ( 0.000 0.000 0.000) 0.000 1.187 ( 0.000 0.000 0.000) 0.000 1.215 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 1.665 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.157 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 4.901 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 9.399 ( 0.000 0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.953 ( 0.000 0.000 0.000) 0.000 9.967 ( 0.000 0.000 0.000) 0.000 10.045 ( 0.000 0.000 0.000) 0.000 10.109 ( 0.000 0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.294 ( 0.000 0.000 0.000) 0.000 10.422 ( 0.000 0.000 0.000) 0.000 10.444 ( 0.000 0.000 0.000) 0.000 10.523 ( 0.000 0.000 0.000) 0.000 10.581 ( 0.000 0.000 0.000) 0.000 10.592 ( 0.000 0.000 0.000) 0.000 10.799 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.199 ( 9.086 0.000 12.135) 15.160 0.222 ( 11.468 0.000 1.461) 11.560 0.363 ( 18.153 0.000 2.701) 18.353 0.740 ( -0.975 0.000 -2.602) 2.779 0.743 ( 3.807 0.000 2.709) 4.672 0.815 ( 4.361 0.000 -0.608) 4.403 0.832 ( -1.647 0.000 -5.156) 5.412 0.938 ( 2.889 0.000 -0.510) 2.934 1.013 ( 0.080 0.000 1.817) 1.819 1.121 ( -1.145 0.000 -7.686) 7.771 1.128 ( -5.189 0.000 -0.127) 5.191 1.159 ( -3.167 0.000 5.657) 6.483 1.301 ( -0.415 0.000 -1.229) 1.297 1.404 ( -6.162 0.000 1.933) 6.458 1.446 ( 4.957 0.000 3.433) 6.029 1.480 ( -1.290 0.000 -2.664) 2.960 1.661 ( 1.431 0.000 0.824) 1.651 1.701 ( 3.141 0.000 -1.412) 3.444 1.895 ( -0.524 0.000 1.416) 1.510 1.960 ( -2.374 0.000 -0.099) 2.376 2.077 ( -0.893 0.000 -1.547) 1.786 2.114 ( -6.521 0.000 2.771) 7.086 2.260 ( -0.024 0.000 -9.799) 9.799 2.330 ( 1.050 0.000 -0.349) 1.106 2.346 ( 1.160 0.000 -6.863) 6.961 2.350 ( -0.407 0.000 -0.596) 0.722 2.427 ( -3.057 0.000 -3.437) 4.600 2.472 ( 1.855 0.000 2.840) 3.392 2.660 ( 3.162 0.000 4.392) 5.412 2.687 ( -3.169 0.000 -0.539) 3.214 2.689 ( 0.139 0.000 1.241) 1.249 2.904 ( 2.591 0.000 0.814) 2.716 2.913 ( -2.127 0.000 -2.011) 2.927 2.964 ( 0.422 0.000 0.036) 0.423 3.061 ( 2.293 0.000 2.583) 3.454 3.098 ( -5.025 0.000 0.278) 5.032 3.101 ( 1.746 0.000 5.014) 5.309 3.274 ( 0.480 0.000 -1.294) 1.380 3.323 ( 1.272 0.000 1.407) 1.897 3.486 ( -3.132 0.000 1.503) 3.474 3.881 ( 2.712 0.000 0.237) 2.722 4.038 ( 0.575 0.000 -3.779) 3.823 4.179 ( -0.990 0.000 0.061) 0.992 4.337 ( 0.668 0.000 -2.687) 2.769 4.831 ( 0.522 0.000 0.030) 0.523 4.894 ( -0.596 0.000 -0.447) 0.745 4.936 ( -0.636 0.000 0.155) 0.655 4.954 ( 0.256 0.000 -0.097) 0.273 4.966 ( 1.062 0.000 0.654) 1.247 5.061 ( -0.682 0.000 -0.230) 0.720 5.092 ( -0.046 0.000 0.017) 0.049 5.173 ( 0.353 0.000 -0.003) 0.353 5.187 ( -0.022 0.000 0.570) 0.570 5.310 ( -0.103 0.000 -0.695) 0.702 5.542 ( -0.050 0.000 0.105) 0.116 5.658 ( -0.302 0.000 2.718) 2.735 9.263 ( 0.020 0.000 -0.046) 0.050 9.291 ( 0.039 0.000 -0.115) 0.122 9.398 ( -0.124 0.000 0.274) 0.301 9.401 ( -0.091 0.000 -0.065) 0.112 9.953 ( -0.016 0.000 0.116) 0.117 9.966 ( -0.026 0.000 -0.095) 0.098 10.044 ( -0.065 0.000 -0.008) 0.066 10.109 ( -0.011 0.000 -0.021) 0.024 10.315 ( 2.003 0.000 -0.169) 2.010 10.398 ( 0.947 0.000 -4.553) 4.650 10.421 ( -0.075 0.000 0.221) 0.234 10.503 ( -1.481 0.000 11.411) 11.506 10.542 ( 0.285 0.000 -3.540) 3.552 10.596 ( -0.099 0.000 0.918) 0.924 10.597 ( 0.603 0.000 -0.027) 0.603 10.785 ( -1.418 0.000 0.068) 1.419 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 8.060 0.000 10.913) 13.567 0.435 ( 10.508 0.000 1.605) 10.630 0.642 ( 4.248 0.000 -2.263) 4.814 0.727 ( 4.218 0.000 -2.444) 4.875 0.802 ( -0.857 0.000 2.141) 2.306 0.810 ( 3.103 0.000 -3.987) 5.053 0.901 ( 5.125 0.000 -0.564) 5.156 0.996 ( 2.744 0.000 -0.547) 2.798 1.015 ( -4.239 0.000 -0.916) 4.337 1.034 ( -4.342 0.000 1.669) 4.652 1.034 ( 1.343 0.000 2.259) 2.628 1.159 ( -1.106 0.000 -1.828) 2.136 1.250 ( -9.934 0.000 0.572) 9.951 1.302 ( 1.513 0.000 -0.478) 1.587 1.451 ( -1.084 0.000 -3.643) 3.801 1.559 ( 5.543 0.000 5.202) 7.601 1.681 ( 0.389 0.000 1.079) 1.147 1.751 ( 1.626 0.000 -1.515) 2.223 1.886 ( -0.877 0.000 4.480) 4.565 1.898 ( -3.235 0.000 -1.871) 3.737 1.993 ( -5.697 0.000 -2.008) 6.041 2.053 ( -1.150 0.000 -0.886) 1.452 2.234 ( -1.293 0.000 -1.655) 2.100 2.272 ( -2.400 0.000 -1.857) 3.034 2.333 ( -0.856 0.000 -1.906) 2.090 2.392 ( -0.478 0.000 -0.913) 1.030 2.433 ( 4.378 0.000 -1.886) 4.767 2.517 ( 2.485 0.000 1.465) 2.884 2.625 ( -3.036 0.000 -0.768) 3.132 2.668 ( -0.426 0.000 -0.504) 0.660 2.742 ( 2.392 0.000 5.503) 6.000 2.870 ( -1.727 0.000 -2.693) 3.200 2.931 ( -0.965 0.000 1.171) 1.518 2.972 ( 0.353 0.000 -0.029) 0.354 3.015 ( -2.340 0.000 0.171) 2.346 3.104 ( 1.629 0.000 -0.172) 1.638 3.162 ( 3.940 0.000 0.455) 3.966 3.289 ( 1.181 0.000 -0.165) 1.192 3.333 ( -0.388 0.000 0.125) 0.407 3.413 ( -4.622 0.000 2.228) 5.131 3.942 ( 3.197 0.000 0.344) 3.215 4.042 ( 0.343 0.000 -1.356) 1.398 4.154 ( -1.565 0.000 0.007) 1.565 4.345 ( 0.467 0.000 -1.024) 1.125 4.842 ( 0.600 0.000 0.040) 0.601 4.883 ( -0.394 0.000 -0.352) 0.528 4.925 ( -0.509 0.000 0.091) 0.517 4.957 ( 0.040 0.000 -0.044) 0.060 4.989 ( 1.090 0.000 0.570) 1.230 5.045 ( -0.835 0.000 -0.333) 0.899 5.091 ( -0.045 0.000 0.018) 0.049 5.180 ( 0.259 0.000 -0.266) 0.372 5.188 ( 0.031 0.000 0.556) 0.557 5.307 ( -0.056 0.000 -0.675) 0.677 5.541 ( -0.052 0.000 0.102) 0.114 5.657 ( -0.123 0.000 0.882) 0.891 9.263 ( 0.021 0.000 -0.046) 0.050 9.291 ( 0.038 0.000 -0.112) 0.118 9.396 ( -0.103 0.000 0.259) 0.279 9.399 ( -0.092 0.000 -0.066) 0.113 9.953 ( -0.013 0.000 0.114) 0.114 9.966 ( -0.026 0.000 -0.095) 0.098 10.043 ( -0.058 0.000 -0.011) 0.059 10.109 ( -0.011 0.000 -0.021) 0.024 10.360 ( 2.472 0.000 -0.310) 2.491 10.410 ( 0.816 0.000 -1.941) 2.105 10.417 ( -0.528 0.000 0.413) 0.671 10.494 ( -0.935 0.000 4.305) 4.405 10.541 ( 0.102 0.000 -1.461) 1.465 10.596 ( -0.045 0.000 0.371) 0.374 10.613 ( 1.023 0.000 -0.057) 1.024 10.751 ( -1.886 0.000 0.064) 1.887 ======================= Grid point 3 (4/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.000 0.000 0.000) 0.000 0.578 ( 0.000 0.000 -0.000) 0.000 0.587 ( 0.000 0.000 -0.000) 0.000 0.736 ( 0.000 0.000 0.000) 0.000 0.763 ( 0.000 0.000 -0.000) 0.000 0.962 ( 0.000 0.000 -0.000) 0.000 0.973 ( 0.000 0.000 -0.000) 0.000 0.990 ( 0.000 0.000 0.000) 0.000 1.000 ( 0.000 0.000 -0.000) 0.000 1.024 ( -0.000 0.000 -0.000) 0.000 1.061 ( 0.000 0.000 0.000) 0.000 1.072 ( 0.000 0.000 0.000) 0.000 1.111 ( -0.000 0.000 -0.000) 0.000 1.336 ( 0.000 0.000 -0.000) 0.000 1.431 ( 0.000 0.000 -0.000) 0.000 1.641 ( -0.000 0.000 -0.000) 0.000 1.684 ( 0.000 0.000 -0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 -0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 -0.000) 0.000 2.247 ( 0.000 0.000 -0.000) 0.000 2.322 ( 0.000 0.000 -0.000) 0.000 2.389 ( 0.000 0.000 -0.000) 0.000 2.477 ( 0.000 0.000 -0.000) 0.000 2.568 ( -0.000 0.000 -0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 -0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 -0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 -0.000) 0.000 3.006 ( 0.000 0.000 -0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 -0.000) 0.000 3.313 ( -0.000 0.000 -0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 -0.000) 0.000 4.044 ( 0.000 0.000 -0.000) 0.000 4.134 ( 0.000 0.000 -0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.849 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 -0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.003 ( 0.000 0.000 -0.000) 0.000 5.034 ( 0.000 0.000 -0.000) 0.000 5.091 ( 0.000 0.000 -0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 -0.000) 0.000 5.305 ( 0.000 0.000 -0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 -0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.292 ( 0.000 0.000 -0.000) 0.000 9.395 ( 0.000 0.000 -0.000) 0.000 9.398 ( 0.000 0.000 0.000) 0.000 9.953 ( 0.000 0.000 -0.000) 0.000 9.965 ( 0.000 0.000 0.000) 0.000 10.042 ( 0.000 0.000 -0.000) 0.000 10.109 ( 0.000 0.000 -0.000) 0.000 10.395 ( -0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 -0.000) 0.000 10.417 ( 0.000 0.000 0.000) 0.000 10.488 ( 0.000 0.000 -0.000) 0.000 10.541 ( 0.000 0.000 -0.000) 0.000 10.596 ( 0.000 0.000 -0.000) 0.000 10.627 ( 0.000 0.000 -0.000) 0.000 10.729 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/70) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.180 ( 0.000 9.391 0.000) 9.391 0.224 ( 0.000 9.664 0.000) 9.664 0.363 ( 0.000 17.099 0.000) 17.099 0.698 ( 0.000 -1.132 0.000) 1.132 0.730 ( 0.000 0.244 0.000) 0.244 0.856 ( 0.000 3.160 0.000) 3.160 0.860 ( 0.000 -4.290 0.000) 4.290 0.890 ( 0.000 7.664 0.000) 7.664 1.017 ( 0.000 -0.523 0.000) 0.523 1.141 ( 0.000 2.986 0.000) 2.986 1.172 ( 0.000 -1.415 0.000) 1.415 1.190 ( 0.000 -2.360 0.000) 2.360 1.278 ( 0.000 -1.497 0.000) 1.497 1.429 ( 0.000 -3.063 0.000) 3.063 1.463 ( 0.000 -1.571 0.000) 1.571 1.483 ( 0.000 5.488 0.000) 5.488 1.625 ( 0.000 -2.225 0.000) 2.225 1.656 ( 0.000 -0.992 0.000) 0.992 1.905 ( 0.000 -0.257 0.000) 0.257 1.982 ( 0.000 -0.363 0.000) 0.363 2.055 ( 0.000 -3.717 0.000) 3.717 2.139 ( 0.000 -4.099 0.000) 4.099 2.144 ( 0.000 -8.787 0.000) 8.787 2.233 ( 0.000 -0.861 0.000) 0.861 2.365 ( 0.000 -1.608 0.000) 1.608 2.375 ( 0.000 0.511 0.000) 0.511 2.488 ( 0.000 0.692 0.000) 0.692 2.601 ( 0.000 -1.724 0.000) 1.724 2.656 ( 0.000 4.829 0.000) 4.829 2.767 ( 0.000 3.080 0.000) 3.080 2.777 ( 0.000 -0.051 0.000) 0.051 2.832 ( 0.000 0.138 0.000) 0.138 2.914 ( 0.000 -1.500 0.000) 1.500 3.000 ( 0.000 1.926 0.000) 1.926 3.048 ( 0.000 3.467 0.000) 3.467 3.052 ( 0.000 -1.027 0.000) 1.027 3.169 ( 0.000 1.672 0.000) 1.672 3.300 ( 0.000 0.836 0.000) 0.836 3.308 ( 0.000 1.798 0.000) 1.798 3.474 ( 0.000 -4.030 0.000) 4.030 3.878 ( 0.000 0.123 0.000) 0.123 3.883 ( 0.000 0.193 0.000) 0.193 4.224 ( 0.000 1.452 0.000) 1.452 4.265 ( 0.000 0.809 0.000) 0.809 4.834 ( 0.000 0.626 0.000) 0.626 4.898 ( 0.000 -0.351 0.000) 0.351 4.939 ( 0.000 -0.749 0.000) 0.749 4.949 ( 0.000 0.175 0.000) 0.175 4.961 ( 0.000 0.746 0.000) 0.746 5.066 ( 0.000 -0.257 0.000) 0.257 5.098 ( 0.000 -0.302 0.000) 0.302 5.171 ( 0.000 -0.911 0.000) 0.911 5.177 ( 0.000 0.659 0.000) 0.659 5.304 ( 0.000 -0.784 0.000) 0.784 5.553 ( 0.000 0.087 0.000) 0.087 5.591 ( 0.000 -0.267 0.000) 0.267 9.266 ( 0.000 0.326 0.000) 0.326 9.283 ( 0.000 -0.650 0.000) 0.650 9.394 ( 0.000 -0.414 0.000) 0.414 9.407 ( 0.000 0.397 0.000) 0.397 9.945 ( 0.000 -0.555 0.000) 0.555 9.965 ( 0.000 -0.166 0.000) 0.166 10.046 ( 0.000 0.109 0.000) 0.109 10.108 ( 0.000 -0.151 0.000) 0.151 10.331 ( 0.000 4.079 0.000) 4.079 10.409 ( 0.000 -0.483 0.000) 0.483 10.441 ( 0.000 -0.253 0.000) 0.253 10.532 ( 0.000 0.865 0.000) 0.865 10.559 ( 0.000 0.397 0.000) 0.397 10.566 ( 0.000 -1.386 0.000) 1.386 10.584 ( 0.000 -0.723 0.000) 0.723 10.797 ( 0.000 -2.090 0.000) 2.090 ======================= Grid point 8 (6/70) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( 6.646 6.531 2.682) 9.696 0.278 ( 6.631 6.505 7.595) 11.999 0.510 ( 11.229 9.909 -0.290) 14.978 0.716 ( 1.396 -0.600 -1.214) 1.945 0.759 ( 3.221 1.173 2.684) 4.354 0.855 ( -0.293 2.441 -2.674) 3.632 0.880 ( 1.231 -3.336 -2.871) 4.570 0.904 ( 1.926 5.372 -0.145) 5.708 1.024 ( 0.416 -0.347 1.575) 1.666 1.100 ( -4.403 -1.054 -2.031) 4.962 1.138 ( -3.425 0.390 -2.882) 4.493 1.166 ( -0.835 1.346 3.586) 3.920 1.281 ( 0.359 -1.372 0.185) 1.431 1.388 ( -4.148 -1.709 0.243) 4.493 1.440 ( -1.740 -2.800 -1.656) 3.689 1.524 ( 3.205 5.387 2.557) 6.770 1.636 ( 1.415 -2.220 0.421) 2.666 1.691 ( 2.922 -1.072 -0.466) 3.147 1.883 ( -2.634 -2.245 1.250) 3.680 1.972 ( -0.964 0.669 0.671) 1.351 2.048 ( -0.775 -2.737 -0.362) 2.867 2.081 ( -3.840 -2.746 1.869) 5.078 2.167 ( 0.970 -8.760 0.614) 8.835 2.229 ( -0.563 -2.880 -3.895) 4.877 2.300 ( -3.526 -2.762 -2.590) 5.174 2.396 ( -2.067 1.252 -2.369) 3.384 2.465 ( 1.550 2.393 -4.153) 5.037 2.591 ( -1.079 3.489 1.278) 3.870 2.662 ( -3.532 1.628 -0.467) 3.917 2.695 ( 2.204 3.047 2.430) 4.477 2.746 ( -1.668 2.848 -0.715) 3.377 2.899 ( 2.033 -0.862 0.240) 2.221 2.918 ( 0.682 0.555 -0.050) 0.881 2.990 ( -0.854 0.778 3.019) 3.233 3.023 ( -1.595 -0.755 -2.089) 2.735 3.085 ( 1.585 -0.361 1.876) 2.483 3.150 ( -0.863 3.256 0.695) 3.439 3.297 ( 0.516 1.766 -0.535) 1.916 3.332 ( 0.922 0.786 1.494) 1.924 3.446 ( -2.678 -3.545 0.614) 4.485 3.885 ( 2.414 0.404 0.223) 2.458 3.981 ( 4.395 -2.992 -1.782) 5.608 4.206 ( -1.369 1.989 -0.023) 2.414 4.296 ( 2.013 -1.421 -0.573) 2.530 4.837 ( 0.422 0.639 0.021) 0.766 4.893 ( -0.439 -0.148 -0.361) 0.587 4.934 ( -0.556 -0.229 0.044) 0.603 4.949 ( 0.212 -0.426 -0.065) 0.480 4.974 ( 0.938 0.650 0.626) 1.302 5.060 ( -0.498 -0.072 -0.144) 0.523 5.095 ( -0.208 -0.009 0.010) 0.208 5.174 ( 0.171 -0.919 -0.376) 1.007 5.178 ( 0.185 0.360 0.459) 0.612 5.303 ( -0.022 -0.709 -0.694) 0.992 5.546 ( -0.259 0.312 0.050) 0.409 5.621 ( 1.448 -1.885 1.482) 2.801 9.265 ( -0.041 0.252 -0.156) 0.299 9.286 ( 0.212 -0.494 -0.354) 0.644 9.398 ( 0.183 -0.216 0.594) 0.658 9.406 ( -0.124 0.365 -0.128) 0.406 9.948 ( 0.270 -0.538 -0.053) 0.605 9.965 ( 0.024 0.007 0.002) 0.026 10.047 ( 0.050 0.165 -0.109) 0.204 10.108 ( -0.019 -0.160 -0.032) 0.164 10.339 ( 1.101 3.113 -0.136) 3.304 10.412 ( 0.274 -0.212 -0.370) 0.507 10.435 ( -0.299 0.754 -1.148) 1.406 10.512 ( -2.107 0.690 5.514) 5.943 10.539 ( 0.056 -0.054 -3.182) 3.183 10.584 ( 0.411 -0.786 0.586) 1.063 10.592 ( 0.846 -0.574 0.054) 1.023 10.775 ( -1.749 -1.395 0.349) 2.264 ======================= Grid point 9 (7/70) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 8.471 2.782 5.044) 10.244 0.441 ( 8.746 2.786 6.927) 11.500 0.661 ( 0.671 1.241 -3.885) 4.133 0.758 ( 3.695 2.562 -2.723) 5.256 0.788 ( -1.484 -0.924 1.002) 2.015 0.860 ( 0.902 2.455 -4.816) 5.481 0.910 ( 6.231 0.481 0.757) 6.295 0.957 ( 2.115 -0.071 -0.933) 2.312 1.005 ( -2.197 -0.542 1.105) 2.519 1.037 ( -3.667 0.287 2.309) 4.343 1.069 ( 0.192 1.737 1.557) 2.341 1.155 ( -2.206 -0.256 -2.565) 3.393 1.263 ( -6.432 1.684 3.230) 7.392 1.313 ( 0.734 -0.044 -2.117) 2.241 1.419 ( 0.563 -2.707 -2.271) 3.578 1.588 ( 2.209 1.700 2.831) 3.973 1.674 ( 2.376 -0.099 0.472) 2.424 1.743 ( 1.841 -0.666 -0.226) 1.971 1.824 ( -2.552 -4.195 2.529) 5.523 1.951 ( -2.320 2.444 1.247) 3.593 1.990 ( -3.189 -0.441 -1.017) 3.376 2.046 ( -0.843 -0.613 -0.885) 1.368 2.183 ( -1.989 -9.858 0.062) 10.057 2.188 ( -0.214 -7.587 -0.393) 7.601 2.243 ( -1.808 -1.641 -4.270) 4.919 2.343 ( -1.632 1.482 -0.956) 2.403 2.520 ( 3.463 2.264 -2.778) 4.984 2.580 ( -0.258 4.852 0.865) 4.935 2.617 ( -1.696 -0.276 0.122) 1.723 2.699 ( -0.329 2.238 -1.073) 2.503 2.772 ( 2.230 2.868 3.999) 5.403 2.882 ( -2.057 0.515 -1.108) 2.393 2.925 ( -2.407 -0.703 0.636) 2.587 2.984 ( 0.560 -0.945 1.914) 2.207 2.996 ( -0.087 1.325 -1.603) 2.082 3.134 ( 3.390 -0.592 -2.319) 4.150 3.155 ( 0.933 2.134 1.719) 2.894 3.308 ( -0.136 0.710 0.872) 1.132 3.334 ( -0.574 -0.033 1.041) 1.190 3.389 ( -2.903 -1.029 0.364) 3.101 3.943 ( 3.144 0.199 0.263) 3.162 4.026 ( 1.179 -1.160 -0.992) 1.928 4.177 ( -1.623 1.944 -0.032) 2.532 4.323 ( 0.947 -1.608 -0.538) 1.942 4.848 ( 0.554 0.541 0.035) 0.776 4.884 ( -0.346 0.042 -0.269) 0.440 4.923 ( -0.512 -0.103 0.003) 0.522 4.953 ( 0.117 -0.454 -0.013) 0.470 4.994 ( 0.952 0.407 0.517) 1.157 5.048 ( -0.640 0.301 -0.189) 0.732 5.092 ( -0.092 0.015 -0.006) 0.094 5.175 ( 0.053 -0.692 -0.520) 0.867 5.184 ( 0.221 -0.063 0.608) 0.650 5.301 ( -0.040 -0.598 -0.612) 0.857 5.544 ( -0.087 0.232 0.096) 0.265 5.639 ( 0.397 -1.523 0.711) 1.727 9.264 ( 0.019 0.188 -0.113) 0.221 9.288 ( 0.104 -0.305 -0.223) 0.392 9.400 ( -0.027 0.209 0.382) 0.437 9.403 ( -0.130 0.284 -0.075) 0.321 9.953 ( 0.213 -0.118 -0.039) 0.247 9.965 ( -0.043 0.038 0.020) 0.061 10.047 ( -0.002 0.312 -0.079) 0.322 10.107 ( -0.025 -0.190 -0.026) 0.193 10.371 ( 2.005 1.409 -0.256) 2.464 10.415 ( -0.077 -0.061 0.042) 0.107 10.429 ( -0.172 1.154 -0.730) 1.376 10.489 ( -1.138 -0.488 2.339) 2.646 10.536 ( 0.034 0.035 -0.944) 0.946 10.589 ( 0.073 -0.666 0.282) 0.726 10.613 ( 1.237 -0.221 0.026) 1.256 10.740 ( -1.836 -1.106 0.219) 2.154 ======================= Grid point 10 (8/70) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -0.000 4.185 -0.000) 4.185 0.577 ( 0.000 1.093 0.000) 1.093 0.603 ( -0.000 1.213 0.000) 1.213 0.679 ( 0.000 -4.878 0.000) 4.878 0.813 ( 0.000 4.745 0.000) 4.745 0.926 ( 0.000 -1.047 0.000) 1.047 0.940 ( 0.000 -1.620 -0.000) 1.620 0.988 ( 0.000 -2.765 0.000) 2.765 1.000 ( -0.000 0.598 0.000) 0.598 1.061 ( 0.000 2.332 0.000) 2.332 1.062 ( -0.000 -0.018 -0.000) 0.018 1.109 ( -0.000 2.929 -0.000) 2.929 1.148 ( 0.000 2.942 0.000) 2.942 1.330 ( -0.000 -0.728 -0.000) 0.728 1.437 ( 0.000 -0.034 -0.000) 0.034 1.606 ( 0.000 -1.501 -0.000) 1.501 1.706 ( 0.000 -0.809 0.000) 0.809 1.739 ( 0.000 -0.589 0.000) 0.589 1.857 ( -0.000 -1.009 -0.000) 1.009 1.867 ( 0.000 0.826 0.000) 0.826 1.977 ( 0.000 3.568 0.000) 3.568 2.033 ( -0.000 -0.618 0.000) 0.618 2.148 ( 0.000 -9.063 -0.000) 9.063 2.199 ( 0.000 -12.982 0.000) 12.982 2.218 ( 0.000 0.573 -0.000) 0.573 2.330 ( 0.000 1.213 -0.000) 1.213 2.557 ( 0.000 2.100 -0.000) 2.100 2.577 ( -0.000 0.701 -0.000) 0.701 2.600 ( 0.000 3.195 0.000) 3.195 2.701 ( 0.000 2.871 0.000) 2.871 2.802 ( 0.000 3.053 -0.000) 3.053 2.850 ( 0.000 -0.743 0.000) 0.743 2.891 ( 0.000 -0.455 0.000) 0.455 2.994 ( 0.000 1.699 0.000) 1.699 2.997 ( 0.000 -0.345 -0.000) 0.345 3.158 ( 0.000 2.318 0.000) 2.318 3.193 ( 0.000 -1.525 0.000) 1.525 3.280 ( 0.000 -3.741 -0.000) 3.741 3.349 ( 0.000 2.529 0.000) 2.529 3.350 ( -0.000 0.845 -0.000) 0.845 3.980 ( 0.000 0.202 -0.000) 0.202 4.034 ( 0.000 -0.704 0.000) 0.704 4.157 ( 0.000 1.985 0.000) 1.985 4.331 ( 0.000 -1.457 0.000) 1.457 4.854 ( 0.000 0.502 0.000) 0.502 4.880 ( 0.000 0.074 -0.000) 0.074 4.917 ( 0.000 -0.090 0.000) 0.090 4.954 ( 0.000 -0.387 0.000) 0.387 5.005 ( 0.000 0.211 0.000) 0.211 5.040 ( 0.000 0.558 -0.000) 0.558 5.091 ( -0.000 0.000 -0.000) 0.000 5.175 ( 0.000 -0.725 0.000) 0.725 5.187 ( 0.000 -0.086 0.000) 0.086 5.300 ( 0.000 -0.570 -0.000) 0.570 5.543 ( 0.000 0.215 0.000) 0.215 5.642 ( -0.000 -1.286 -0.000) 1.286 9.264 ( 0.000 0.181 0.000) 0.181 9.289 ( 0.000 -0.250 -0.000) 0.250 9.400 ( 0.000 0.325 -0.000) 0.325 9.401 ( -0.000 0.245 0.000) 0.245 9.955 ( 0.000 0.179 -0.000) 0.179 9.965 ( 0.000 -0.070 0.000) 0.070 10.047 ( 0.000 0.369 -0.000) 0.369 10.107 ( 0.000 -0.209 0.000) 0.209 10.402 ( 0.000 0.090 -0.000) 0.090 10.405 ( -0.000 0.800 0.000) 0.800 10.427 ( 0.000 0.912 -0.000) 0.912 10.479 ( -0.000 -0.784 0.000) 0.784 10.536 ( 0.000 0.065 -0.000) 0.065 10.590 ( 0.000 -0.637 0.000) 0.637 10.629 ( 0.000 -0.113 -0.000) 0.113 10.719 ( -0.000 -0.941 0.000) 0.941 ======================= Grid point 14 (9/70) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 0.000 3.459 0.000) 3.459 0.401 ( 0.000 10.033 0.000) 10.033 0.614 ( 0.000 6.299 0.000) 6.299 0.711 ( 0.000 -5.957 0.000) 5.957 0.717 ( 0.000 3.180 0.000) 3.180 0.826 ( 0.000 6.537 0.000) 6.537 0.925 ( 0.000 3.227 0.000) 3.227 0.992 ( 0.000 -1.838 0.000) 1.838 1.032 ( 0.000 5.674 0.000) 5.674 1.099 ( 0.000 -4.433 0.000) 4.433 1.140 ( 0.000 -2.554 0.000) 2.554 1.255 ( 0.000 7.308 0.000) 7.308 1.258 ( 0.000 -1.297 0.000) 1.297 1.386 ( 0.000 -1.017 0.000) 1.017 1.388 ( 0.000 -3.896 0.000) 3.896 1.547 ( 0.000 -5.085 0.000) 5.085 1.582 ( 0.000 -2.137 0.000) 2.137 1.660 ( 0.000 5.301 0.000) 5.301 1.871 ( 0.000 -2.501 0.000) 2.501 1.905 ( 0.000 -7.943 0.000) 7.943 1.951 ( 0.000 -3.483 0.000) 3.483 2.033 ( 0.000 -3.410 0.000) 3.410 2.040 ( 0.000 -5.831 0.000) 5.831 2.262 ( 0.000 3.701 0.000) 3.701 2.320 ( 0.000 -3.228 0.000) 3.228 2.381 ( 0.000 0.784 0.000) 0.784 2.513 ( 0.000 1.732 0.000) 1.732 2.597 ( 0.000 1.593 0.000) 1.593 2.755 ( 0.000 4.069 0.000) 4.069 2.773 ( 0.000 -0.466 0.000) 0.466 2.815 ( 0.000 -1.101 0.000) 1.101 2.834 ( 0.000 2.561 0.000) 2.561 2.885 ( 0.000 -1.498 0.000) 1.498 3.014 ( 0.000 -1.243 0.000) 1.243 3.025 ( 0.000 0.872 0.000) 0.872 3.130 ( 0.000 3.980 0.000) 3.980 3.201 ( 0.000 0.956 0.000) 0.956 3.325 ( 0.000 -2.524 0.000) 2.524 3.340 ( 0.000 2.911 0.000) 2.911 3.388 ( 0.000 -2.113 0.000) 2.113 3.880 ( 0.000 0.158 0.000) 0.158 3.886 ( 0.000 0.096 0.000) 0.096 4.260 ( 0.000 1.960 0.000) 1.960 4.285 ( 0.000 1.153 0.000) 1.153 4.853 ( 0.000 1.267 0.000) 1.267 4.887 ( 0.000 -0.665 0.000) 0.665 4.921 ( 0.000 -1.052 0.000) 1.052 4.953 ( 0.000 0.176 0.000) 0.176 4.981 ( 0.000 1.172 0.000) 1.172 5.058 ( 0.000 -0.530 0.000) 0.530 5.093 ( 0.000 -0.111 0.000) 0.111 5.147 ( 0.000 -1.418 0.000) 1.418 5.192 ( 0.000 0.795 0.000) 0.795 5.283 ( 0.000 -1.271 0.000) 1.271 5.556 ( 0.000 0.177 0.000) 0.177 5.584 ( 0.000 -0.430 0.000) 0.430 9.272 ( 0.000 -0.344 0.000) 0.344 9.273 ( 0.000 0.358 0.000) 0.358 9.387 ( 0.000 -0.151 0.000) 0.151 9.414 ( 0.000 0.215 0.000) 0.215 9.939 ( 0.000 0.054 0.000) 0.054 9.961 ( 0.000 -0.156 0.000) 0.156 10.050 ( 0.000 0.349 0.000) 0.349 10.103 ( 0.000 -0.413 0.000) 0.413 10.388 ( 0.000 -0.086 0.000) 0.086 10.393 ( 0.000 -1.251 0.000) 1.251 10.455 ( 0.000 2.602 0.000) 2.602 10.541 ( 0.000 -0.636 0.000) 0.636 10.551 ( 0.000 -1.269 0.000) 1.269 10.558 ( 0.000 1.825 0.000) 1.825 10.582 ( 0.000 0.679 0.000) 0.679 10.745 ( 0.000 -2.834 0.000) 2.834 ======================= Grid point 15 (10/70) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 5.199 3.277 2.960) 6.821 0.422 ( 2.738 9.150 2.286) 9.821 0.673 ( 4.862 5.441 -1.088) 7.377 0.720 ( 1.665 -1.437 1.451) 2.635 0.759 ( 3.512 -1.691 -4.374) 5.859 0.837 ( -0.296 4.261 1.479) 4.520 0.927 ( 1.453 3.865 -1.466) 4.381 0.982 ( -1.435 -0.406 -0.050) 1.492 1.034 ( 0.633 3.041 -0.001) 3.106 1.066 ( -2.023 -2.301 2.068) 3.696 1.142 ( -2.170 0.231 -0.317) 2.205 1.219 ( -2.316 1.409 0.251) 2.723 1.260 ( 0.702 1.140 -2.029) 2.431 1.359 ( -0.919 -3.751 0.133) 3.864 1.383 ( -3.306 0.943 0.855) 3.543 1.519 ( 1.209 -5.902 -0.174) 6.027 1.644 ( 2.058 -3.435 -0.409) 4.025 1.689 ( 3.600 6.065 2.822) 7.597 1.825 ( -4.365 -2.679 2.740) 5.808 1.910 ( 0.559 -7.723 -0.361) 7.752 1.949 ( -0.277 -5.236 -1.729) 5.521 2.009 ( -2.443 -4.766 -0.226) 5.361 2.028 ( -1.203 -3.663 1.356) 4.087 2.232 ( -3.994 0.908 0.043) 4.096 2.287 ( -0.819 2.288 -0.810) 2.561 2.406 ( 0.625 0.176 -2.001) 2.103 2.508 ( 1.007 2.023 -4.488) 5.025 2.616 ( 1.060 1.409 2.679) 3.207 2.706 ( -4.098 1.006 -1.603) 4.514 2.755 ( -1.074 2.025 -2.323) 3.263 2.793 ( -0.021 2.077 0.455) 2.127 2.861 ( 1.553 -2.714 1.210) 3.353 2.938 ( 2.991 1.357 1.927) 3.808 2.970 ( -2.913 -0.554 0.979) 3.122 3.037 ( -0.166 0.759 1.233) 1.457 3.121 ( -0.214 3.126 -2.489) 4.001 3.190 ( -0.908 0.723 0.623) 1.317 3.309 ( -2.289 -4.446 2.133) 5.436 3.348 ( 1.127 3.062 -0.257) 3.273 3.398 ( 0.766 0.144 -0.495) 0.923 3.895 ( 2.299 0.531 0.158) 2.365 3.945 ( 4.110 -1.054 -0.637) 4.291 4.247 ( -1.232 2.067 0.029) 2.407 4.291 ( 0.488 0.455 -0.091) 0.673 4.856 ( 0.308 1.169 -0.014) 1.209 4.885 ( -0.188 -0.535 -0.042) 0.569 4.923 ( 0.198 -0.886 -0.054) 0.910 4.947 ( -0.451 0.222 -0.154) 0.525 4.989 ( 0.639 0.844 0.455) 1.152 5.056 ( -0.142 -0.358 0.010) 0.385 5.092 ( -0.099 -0.111 0.003) 0.148 5.150 ( 0.223 -1.448 -0.153) 1.473 5.190 ( -0.103 0.746 -0.037) 0.754 5.283 ( 0.076 -1.229 -0.417) 1.300 5.552 ( -0.215 0.305 0.034) 0.375 5.594 ( 0.803 -0.960 0.546) 1.365 9.270 ( -0.068 0.160 0.175) 0.247 9.278 ( 0.327 -0.158 -0.559) 0.667 9.393 ( 0.392 -0.237 0.532) 0.702 9.412 ( -0.198 0.182 -0.144) 0.305 9.941 ( 0.285 -0.047 -0.096) 0.304 9.964 ( 0.188 -0.122 0.049) 0.230 10.051 ( 0.098 0.320 -0.069) 0.342 10.102 ( -0.061 -0.439 -0.018) 0.444 10.386 ( 0.147 0.120 -0.270) 0.330 10.401 ( 0.552 -1.089 0.408) 1.287 10.454 ( -0.043 2.370 -0.003) 2.371 10.518 ( -1.537 0.122 -1.047) 1.863 10.554 ( -0.311 1.493 0.602) 1.639 10.565 ( 0.639 -1.120 0.793) 1.514 10.587 ( 0.556 0.232 -0.421) 0.736 10.734 ( -1.142 -2.505 0.360) 2.777 ======================= Grid point 16 (11/70) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 5.743 3.423 0.893) 6.745 0.521 ( 5.821 4.658 6.085) 9.623 0.702 ( -1.158 3.431 -0.752) 3.698 0.766 ( -3.846 0.301 -3.904) 5.488 0.813 ( 5.103 1.573 -2.257) 5.797 0.840 ( 4.711 -1.121 -0.687) 4.891 0.944 ( -0.971 1.111 -0.165) 1.484 1.000 ( 3.163 2.398 1.596) 4.278 1.023 ( -3.613 1.420 1.345) 4.109 1.049 ( 0.808 1.652 -0.502) 1.907 1.085 ( -1.831 0.037 1.982) 2.699 1.163 ( -2.729 1.684 -2.482) 4.055 1.279 ( -1.681 -2.022 -1.959) 3.279 1.311 ( -2.476 1.011 3.091) 4.087 1.361 ( 2.327 -2.416 -0.564) 3.402 1.566 ( 2.957 -4.093 -0.236) 5.055 1.656 ( -1.017 -2.438 0.641) 2.719 1.731 ( -3.500 -2.230 2.477) 4.833 1.787 ( 3.932 1.590 2.228) 4.791 1.922 ( -0.256 -11.643 -0.174) 11.647 1.939 ( -0.555 -5.464 -1.192) 5.620 1.962 ( -0.859 -2.526 -0.593) 2.733 2.002 ( -1.469 -1.955 0.701) 2.544 2.136 ( -5.659 0.822 -0.053) 5.719 2.280 ( -0.141 4.597 -1.669) 4.893 2.386 ( -1.439 2.432 -0.911) 2.969 2.547 ( 2.887 0.905 -3.798) 4.856 2.616 ( -1.848 0.109 0.007) 1.852 2.654 ( -0.445 2.114 0.513) 2.220 2.732 ( 0.081 1.278 -2.400) 2.720 2.828 ( 1.166 -0.510 1.043) 1.645 2.852 ( -1.609 -0.383 3.799) 4.143 2.930 ( -1.260 0.972 -0.764) 1.766 2.986 ( 1.498 1.442 0.865) 2.251 3.030 ( -0.339 1.558 0.239) 1.612 3.129 ( 1.716 0.299 -2.976) 3.448 3.178 ( -0.390 -0.145 1.091) 1.168 3.252 ( -3.772 -4.407 2.241) 6.219 3.374 ( 1.360 3.083 0.328) 3.386 3.405 ( 0.042 1.759 -0.542) 1.841 3.951 ( 3.099 0.577 0.125) 3.154 4.007 ( 2.165 -0.788 -0.507) 2.359 4.219 ( -1.581 2.146 -0.000) 2.666 4.300 ( 0.446 -0.621 -0.099) 0.771 4.863 ( 0.412 0.943 -0.035) 1.030 4.881 ( -0.243 -0.327 -0.029) 0.408 4.925 ( -0.060 0.047 -0.092) 0.119 4.941 ( -0.135 -0.472 -0.025) 0.492 5.002 ( 0.590 0.398 0.375) 0.805 5.053 ( -0.209 0.028 0.003) 0.211 5.091 ( -0.081 -0.117 0.000) 0.142 5.153 ( 0.116 -1.434 -0.279) 1.466 5.189 ( 0.009 0.569 0.108) 0.579 5.284 ( 0.039 -1.114 -0.374) 1.175 5.549 ( -0.095 0.360 0.068) 0.378 5.609 ( 0.502 -1.395 0.382) 1.531 9.270 ( 0.032 0.306 0.012) 0.308 9.282 ( 0.176 -0.280 -0.332) 0.469 9.400 ( 0.219 -0.200 0.448) 0.537 9.407 ( -0.207 0.113 -0.142) 0.275 9.949 ( 0.520 -0.130 -0.111) 0.547 9.965 ( -0.106 -0.093 0.080) 0.162 10.053 ( 0.094 0.314 -0.072) 0.336 10.101 ( -0.075 -0.497 -0.018) 0.503 10.394 ( 0.632 0.210 -0.014) 0.666 10.410 ( 0.246 -0.731 0.210) 0.800 10.454 ( 0.004 1.965 0.027) 1.965 10.489 ( -1.157 0.740 -0.654) 1.521 10.551 ( -0.150 1.244 0.384) 1.311 10.572 ( 0.119 -0.920 0.065) 0.930 10.603 ( 1.058 -0.637 0.062) 1.236 10.709 ( -1.353 -1.929 0.298) 2.375 ======================= Grid point 17 (12/70) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 -2.329 0.000) 2.329 0.611 ( -0.000 1.216 -0.000) 1.216 0.667 ( -0.000 6.488 0.000) 6.488 0.688 ( 0.000 6.926 0.000) 6.926 0.878 ( -0.000 -0.706 0.000) 0.706 0.909 ( 0.000 -1.614 -0.000) 1.614 0.922 ( 0.000 -0.821 0.000) 0.821 0.990 ( -0.000 6.019 -0.000) 6.019 1.013 ( 0.000 0.819 0.000) 0.819 1.042 ( -0.000 -2.419 0.000) 2.419 1.085 ( 0.000 0.355 0.000) 0.355 1.162 ( 0.000 2.230 -0.000) 2.230 1.209 ( 0.000 3.048 0.000) 3.048 1.303 ( -0.000 -1.973 -0.000) 1.973 1.406 ( 0.000 -3.189 -0.000) 3.189 1.600 ( 0.000 0.247 -0.000) 0.247 1.628 ( -0.000 -5.364 0.000) 5.364 1.696 ( 0.000 -4.116 0.000) 4.116 1.860 ( 0.000 -0.059 0.000) 0.059 1.886 ( -0.000 -4.448 -0.000) 4.448 1.923 ( 0.000 -13.136 -0.000) 13.136 1.972 ( 0.000 -2.221 0.000) 2.221 2.015 ( 0.000 -0.185 -0.000) 0.185 2.045 ( -0.000 1.419 0.000) 1.419 2.276 ( 0.000 5.283 -0.000) 5.283 2.371 ( 0.000 2.670 0.000) 2.670 2.574 ( 0.000 0.385 -0.000) 0.385 2.592 ( 0.000 0.466 -0.000) 0.466 2.657 ( 0.000 1.679 -0.000) 1.679 2.741 ( -0.000 1.721 0.000) 1.721 2.799 ( 0.000 -3.693 -0.000) 3.693 2.884 ( 0.000 4.302 -0.000) 4.302 2.900 ( 0.000 0.627 0.000) 0.627 3.001 ( 0.000 0.705 0.000) 0.705 3.028 ( 0.000 1.623 -0.000) 1.623 3.160 ( -0.000 -3.078 0.000) 3.078 3.178 ( -0.000 -0.023 0.000) 0.023 3.198 ( 0.000 -2.606 -0.000) 2.606 3.395 ( 0.000 3.022 0.000) 3.022 3.398 ( -0.000 2.332 -0.000) 2.332 3.988 ( 0.000 0.557 -0.000) 0.557 4.024 ( -0.000 -0.340 -0.000) 0.340 4.200 ( 0.000 2.214 0.000) 2.214 4.305 ( 0.000 -1.074 0.000) 1.074 4.868 ( 0.000 0.854 0.000) 0.854 4.878 ( 0.000 -0.293 -0.000) 0.293 4.923 ( 0.000 0.648 0.000) 0.648 4.940 ( 0.000 -0.931 0.000) 0.931 5.009 ( 0.000 0.128 0.000) 0.128 5.050 ( 0.000 0.285 -0.000) 0.285 5.090 ( -0.000 -0.117 0.000) 0.117 5.153 ( 0.000 -1.406 -0.000) 1.406 5.190 ( 0.000 0.456 0.000) 0.456 5.284 ( 0.000 -1.054 -0.000) 1.054 5.549 ( 0.000 0.371 0.000) 0.371 5.614 ( -0.000 -1.477 -0.000) 1.477 9.270 ( 0.000 0.358 0.000) 0.358 9.283 ( 0.000 -0.313 -0.000) 0.313 9.402 ( 0.000 -0.135 -0.000) 0.135 9.405 ( 0.000 0.077 0.000) 0.077 9.957 ( 0.000 -0.056 -0.000) 0.056 9.962 ( -0.000 -0.166 0.000) 0.166 10.054 ( 0.000 0.333 -0.000) 0.333 10.100 ( 0.000 -0.529 0.000) 0.529 10.403 ( 0.000 -0.039 0.000) 0.039 10.411 ( -0.000 -0.388 -0.000) 0.388 10.454 ( 0.000 1.811 0.000) 1.811 10.477 ( -0.000 0.848 -0.000) 0.848 10.550 ( 0.000 1.149 -0.000) 1.149 10.573 ( 0.000 -0.917 0.000) 0.917 10.616 ( 0.000 -1.029 0.000) 1.029 10.694 ( -0.000 -1.564 -0.000) 1.564 ======================= Grid point 21 (13/70) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 0.000 0.604 0.000) 0.604 0.550 ( 0.000 -8.771 0.000) 8.771 0.599 ( 0.000 8.883 0.000) 8.883 0.673 ( 0.000 1.703 0.000) 1.703 0.810 ( 0.000 5.751 0.000) 5.751 0.951 ( 0.000 -1.148 0.000) 1.148 0.952 ( 0.000 -1.436 0.000) 1.436 1.002 ( 0.000 7.180 0.000) 7.180 1.035 ( 0.000 -0.288 0.000) 0.288 1.082 ( 0.000 -3.765 0.000) 3.765 1.101 ( 0.000 1.301 0.000) 1.301 1.186 ( 0.000 -5.951 0.000) 5.951 1.345 ( 0.000 -0.892 0.000) 0.892 1.348 ( 0.000 -1.211 0.000) 1.211 1.432 ( 0.000 7.724 0.000) 7.724 1.479 ( 0.000 -4.331 0.000) 4.331 1.479 ( 0.000 -1.019 0.000) 1.019 1.711 ( 0.000 -3.147 0.000) 3.147 1.835 ( 0.000 -0.817 0.000) 0.817 1.876 ( 0.000 -3.233 0.000) 3.233 1.885 ( 0.000 6.579 0.000) 6.579 1.936 ( 0.000 -4.225 0.000) 4.225 1.960 ( 0.000 -4.039 0.000) 4.039 2.205 ( 0.000 -6.832 0.000) 6.832 2.366 ( 0.000 4.510 0.000) 4.510 2.412 ( 0.000 1.922 0.000) 1.922 2.552 ( 0.000 2.320 0.000) 2.320 2.648 ( 0.000 2.589 0.000) 2.589 2.729 ( 0.000 -4.518 0.000) 4.518 2.756 ( 0.000 -1.266 0.000) 1.266 2.826 ( 0.000 1.487 0.000) 1.487 2.857 ( 0.000 -1.182 0.000) 1.182 2.897 ( 0.000 3.640 0.000) 3.640 3.030 ( 0.000 -0.743 0.000) 0.743 3.040 ( 0.000 3.336 0.000) 3.336 3.187 ( 0.000 1.560 0.000) 1.560 3.208 ( 0.000 -0.002 0.000) 0.002 3.214 ( 0.000 -6.040 0.000) 6.040 3.391 ( 0.000 1.872 0.000) 1.872 3.398 ( 0.000 1.023 0.000) 1.023 3.883 ( 0.000 0.133 0.000) 0.133 3.887 ( 0.000 -0.027 0.000) 0.027 4.294 ( 0.000 1.384 0.000) 1.384 4.305 ( 0.000 0.746 0.000) 0.746 4.877 ( 0.000 -0.338 0.000) 0.338 4.877 ( 0.000 0.740 0.000) 0.740 4.906 ( 0.000 0.055 0.000) 0.055 4.949 ( 0.000 -0.671 0.000) 0.671 5.005 ( 0.000 1.292 0.000) 1.292 5.046 ( 0.000 -0.690 0.000) 0.690 5.094 ( 0.000 0.175 0.000) 0.175 5.120 ( 0.000 -1.245 0.000) 1.245 5.208 ( 0.000 0.926 0.000) 0.926 5.256 ( 0.000 -1.411 0.000) 1.411 5.560 ( 0.000 0.276 0.000) 0.276 5.575 ( 0.000 -0.456 0.000) 0.456 9.271 ( 0.000 0.254 0.000) 0.254 9.278 ( 0.000 0.124 0.000) 0.124 9.389 ( 0.000 0.362 0.000) 0.362 9.412 ( 0.000 -0.401 0.000) 0.401 9.946 ( 0.000 0.558 0.000) 0.558 9.959 ( 0.000 -0.071 0.000) 0.071 10.060 ( 0.000 0.646 0.000) 0.646 10.091 ( 0.000 -0.759 0.000) 0.759 10.360 ( 0.000 -1.692 0.000) 1.692 10.363 ( 0.000 -1.578 0.000) 1.578 10.495 ( 0.000 0.923 0.000) 0.923 10.526 ( 0.000 -1.141 0.000) 1.141 10.554 ( 0.000 1.636 0.000) 1.636 10.593 ( 0.000 0.182 0.000) 0.182 10.603 ( 0.000 2.568 0.000) 2.568 10.693 ( 0.000 -2.405 0.000) 2.405 ======================= Grid point 22 (14/70) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 6.188 1.315 0.703) 6.365 0.579 ( 0.703 0.984 2.394) 2.682 0.608 ( 3.995 -0.742 -0.488) 4.092 0.732 ( 4.573 0.716 -0.155) 4.631 0.832 ( 2.147 6.045 -1.462) 6.580 0.915 ( -1.941 1.935 -1.840) 3.301 0.969 ( 0.261 -1.806 1.155) 2.159 1.002 ( 0.064 3.477 0.998) 3.618 1.028 ( -0.141 1.836 0.357) 1.875 1.076 ( -0.865 -0.062 -0.344) 0.933 1.135 ( 2.247 -1.998 0.499) 3.048 1.176 ( -0.951 -4.560 -0.212) 4.663 1.269 ( -3.949 -1.174 1.067) 4.256 1.376 ( -3.919 -3.728 -0.490) 5.431 1.386 ( -0.896 4.450 -2.571) 5.217 1.442 ( 0.355 2.705 2.773) 3.890 1.552 ( 3.576 -4.330 -1.091) 5.721 1.708 ( -1.385 -6.492 0.990) 6.712 1.783 ( -3.867 0.396 3.733) 5.390 1.830 ( -4.377 -2.990 -1.114) 5.416 1.914 ( 1.501 -0.187 -2.492) 2.915 1.923 ( -0.145 1.171 -0.658) 1.351 1.971 ( 0.605 -2.075 2.633) 3.406 2.193 ( -1.604 -4.448 1.414) 4.935 2.373 ( 0.795 4.667 -1.723) 5.038 2.425 ( 1.124 1.671 -0.700) 2.133 2.544 ( -0.058 1.690 -2.632) 3.129 2.647 ( -1.215 0.082 -0.265) 1.246 2.695 ( -1.832 -0.960 1.600) 2.615 2.751 ( -1.105 -1.618 -3.841) 4.312 2.813 ( -1.503 0.390 -1.106) 1.907 2.839 ( 1.385 0.146 1.227) 1.857 2.959 ( 2.870 1.693 1.498) 3.654 3.006 ( -1.491 2.919 1.991) 3.835 3.051 ( 0.442 0.625 1.112) 1.350 3.162 ( -2.530 -0.743 -1.255) 2.920 3.188 ( -1.321 -0.805 1.663) 2.271 3.209 ( -0.587 -2.928 -2.057) 3.626 3.401 ( 1.128 1.957 0.100) 2.261 3.416 ( 1.319 0.962 0.550) 1.723 3.906 ( 2.596 0.601 0.056) 2.665 3.930 ( 3.509 -0.614 -0.250) 3.571 4.283 ( -1.118 1.465 0.020) 1.843 4.302 ( -0.378 0.429 0.010) 0.572 4.875 ( -0.046 0.022 -0.121) 0.131 4.879 ( 0.119 0.384 0.131) 0.423 4.909 ( 0.333 -0.010 0.005) 0.333 4.947 ( -0.255 -0.475 -0.091) 0.547 5.008 ( 0.183 1.092 0.214) 1.128 5.046 ( 0.056 -0.657 0.034) 0.661 5.092 ( -0.145 0.157 0.003) 0.213 5.121 ( 0.119 -1.346 -0.159) 1.361 5.207 ( -0.077 1.003 -0.037) 1.007 5.257 ( 0.114 -1.400 -0.143) 1.412 5.559 ( -0.086 0.369 0.020) 0.379 5.579 ( 0.323 -0.675 0.187) 0.771 9.272 ( 0.074 0.219 0.128) 0.264 9.279 ( 0.068 0.070 -0.304) 0.320 9.392 ( 0.213 0.205 0.303) 0.424 9.410 ( -0.204 -0.356 -0.074) 0.417 9.946 ( 0.078 0.467 -0.067) 0.478 9.961 ( 0.107 -0.188 0.052) 0.223 10.060 ( 0.011 0.592 -0.011) 0.592 10.090 ( -0.094 -0.765 -0.021) 0.771 10.368 ( 0.865 -1.266 -0.201) 1.547 10.372 ( 0.890 -1.400 0.085) 1.661 10.494 ( -0.099 1.041 -0.162) 1.058 10.523 ( -0.322 -0.339 -0.499) 0.684 10.554 ( 0.074 0.888 0.001) 0.891 10.586 ( -0.727 0.586 0.883) 1.285 10.602 ( -0.127 1.798 -0.363) 1.838 10.685 ( -0.751 -2.306 0.307) 2.444 ======================= Grid point 23 (15/70) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 5.203 2.452 -0.452) 5.769 0.607 ( 1.791 2.695 3.220) 4.565 0.714 ( 6.283 -1.223 -0.216) 6.405 0.808 ( 2.919 -1.395 -0.655) 3.301 0.868 ( 1.441 5.954 0.078) 6.127 0.879 ( -1.276 5.827 -2.333) 6.405 0.947 ( -2.719 0.288 1.175) 2.977 1.019 ( -0.756 -1.937 0.469) 2.131 1.029 ( 0.586 1.984 0.568) 2.146 1.069 ( 0.507 -0.815 -0.572) 1.117 1.114 ( -1.261 2.593 0.154) 2.888 1.193 ( 0.322 -2.745 1.865) 3.334 1.226 ( -0.341 -2.281 -0.564) 2.374 1.301 ( -2.181 1.392 -4.959) 5.594 1.364 ( -1.519 0.955 3.596) 4.019 1.469 ( 1.943 -3.095 0.590) 3.702 1.609 ( 2.329 -3.799 -0.762) 4.521 1.631 ( -5.038 -7.987 0.275) 9.447 1.729 ( -5.541 -5.245 1.403) 7.757 1.754 ( -0.773 -2.956 1.502) 3.405 1.888 ( -1.489 -0.555 -0.139) 1.596 1.956 ( 0.799 -2.119 -0.275) 2.281 2.002 ( 3.044 4.735 -0.127) 5.630 2.148 ( -3.281 -0.412 1.500) 3.631 2.385 ( 0.774 5.150 -2.527) 5.788 2.434 ( -0.381 2.472 0.820) 2.632 2.558 ( 1.933 0.028 -3.682) 4.159 2.605 ( -2.085 -1.525 0.044) 2.583 2.667 ( -1.301 -0.035 -0.720) 1.487 2.730 ( -0.591 -2.653 -0.444) 2.754 2.800 ( -0.225 1.871 -0.239) 1.900 2.873 ( 1.781 -0.112 1.332) 2.226 2.957 ( -1.206 2.085 0.260) 2.423 3.023 ( 0.728 1.714 1.573) 2.438 3.056 ( -0.069 1.030 0.834) 1.327 3.105 ( -2.428 -3.151 -0.621) 4.026 3.175 ( -0.151 0.342 -0.242) 0.445 3.192 ( -0.726 -1.317 -0.434) 1.566 3.425 ( 1.101 1.850 0.260) 2.168 3.437 ( 0.732 1.234 0.241) 1.455 3.965 ( 3.106 0.794 0.014) 3.206 3.993 ( 2.716 -0.619 -0.220) 2.794 4.257 ( -1.444 1.658 0.019) 2.199 4.293 ( -0.470 -0.318 0.028) 0.569 4.874 ( -0.035 -0.006 -0.079) 0.087 4.882 ( 0.120 0.421 0.058) 0.441 4.917 ( 0.462 -0.174 0.073) 0.499 4.940 ( -0.395 -0.102 -0.125) 0.427 5.012 ( 0.182 0.730 0.206) 0.780 5.047 ( 0.045 -0.578 0.034) 0.581 5.090 ( -0.127 0.114 0.012) 0.171 5.123 ( 0.069 -1.508 -0.199) 1.522 5.206 ( -0.027 1.118 -0.000) 1.118 5.259 ( 0.103 -1.362 -0.128) 1.371 5.558 ( -0.038 0.480 0.034) 0.483 5.585 ( 0.262 -0.990 0.149) 1.035 9.274 ( 0.115 0.176 0.134) 0.249 9.279 ( 0.022 -0.031 -0.297) 0.300 9.396 ( 0.161 -0.052 0.272) 0.320 9.406 ( -0.219 -0.270 -0.070) 0.355 9.950 ( 0.297 0.178 -0.067) 0.353 9.961 ( -0.124 -0.293 0.060) 0.323 10.060 ( 0.037 0.486 -0.012) 0.488 10.088 ( -0.108 -0.765 -0.022) 0.773 10.388 ( 1.034 -0.549 -0.055) 1.172 10.391 ( 0.971 -0.824 -0.057) 1.275 10.491 ( -0.072 1.366 -0.156) 1.377 10.511 ( -0.743 1.022 -0.448) 1.341 10.556 ( 0.147 -0.345 -0.194) 0.423 10.574 ( -0.611 0.375 0.666) 0.978 10.600 ( 0.033 0.823 0.018) 0.824 10.669 ( -0.859 -2.024 0.280) 2.217 ======================= Grid point 24 (16/70) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -0.000 3.240 0.000) 3.240 0.636 ( 0.000 1.513 -0.000) 1.513 0.805 ( -0.000 -0.570 0.000) 0.570 0.832 ( -0.000 9.032 -0.000) 9.032 0.859 ( 0.000 3.878 -0.000) 3.878 0.869 ( 0.000 -2.626 -0.000) 2.626 0.931 ( 0.000 2.736 0.000) 2.736 0.963 ( -0.000 -4.201 -0.000) 4.201 1.043 ( -0.000 1.948 -0.000) 1.948 1.078 ( 0.000 -1.011 0.000) 1.011 1.131 ( 0.000 6.238 0.000) 6.238 1.175 ( 0.000 -2.396 -0.000) 2.396 1.237 ( -0.000 -1.734 0.000) 1.734 1.275 ( 0.000 0.457 -0.000) 0.457 1.353 ( 0.000 0.476 -0.000) 0.476 1.499 ( -0.000 -6.278 0.000) 6.278 1.575 ( 0.000 -7.430 -0.000) 7.430 1.630 ( 0.000 0.718 -0.000) 0.718 1.665 ( -0.000 -10.586 0.000) 10.586 1.746 ( 0.000 -5.404 0.000) 5.404 1.872 ( 0.000 0.803 0.000) 0.803 1.960 ( 0.000 -2.566 -0.000) 2.566 2.059 ( -0.000 4.063 -0.000) 4.063 2.093 ( 0.000 2.467 0.000) 2.467 2.391 ( 0.000 5.611 -0.000) 5.611 2.427 ( -0.000 2.837 0.000) 2.837 2.578 ( -0.000 -0.276 0.000) 0.276 2.584 ( 0.000 -1.367 -0.000) 1.367 2.655 ( 0.000 -0.881 0.000) 0.881 2.723 ( 0.000 -3.695 -0.000) 3.695 2.797 ( 0.000 3.696 -0.000) 3.696 2.899 ( 0.000 -0.874 0.000) 0.874 2.946 ( 0.000 2.030 -0.000) 2.030 3.015 ( 0.000 -0.165 -0.000) 0.165 3.058 ( 0.000 1.321 -0.000) 1.321 3.086 ( 0.000 -2.498 0.000) 2.498 3.177 ( -0.000 -0.299 0.000) 0.299 3.183 ( 0.000 0.259 -0.000) 0.259 3.437 ( 0.000 1.558 0.000) 1.558 3.444 ( 0.000 1.638 -0.000) 1.638 4.001 ( 0.000 0.675 -0.000) 0.675 4.019 ( -0.000 -0.235 -0.000) 0.235 4.240 ( 0.000 1.784 -0.000) 1.784 4.288 ( 0.000 -0.784 -0.000) 0.784 4.874 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.415 -0.000) 0.415 4.924 ( 0.000 -0.434 0.000) 0.434 4.934 ( -0.000 0.249 0.000) 0.249 5.014 ( -0.000 0.557 -0.000) 0.557 5.048 ( 0.000 -0.531 -0.000) 0.531 5.088 ( 0.000 0.087 0.000) 0.087 5.123 ( 0.000 -1.562 -0.000) 1.562 5.206 ( 0.000 1.153 0.000) 1.153 5.260 ( 0.000 -1.335 -0.000) 1.335 5.557 ( 0.000 0.521 0.000) 0.521 5.588 ( 0.000 -1.112 -0.000) 1.112 9.276 ( 0.000 0.195 0.000) 0.195 9.279 ( -0.000 -0.112 -0.000) 0.112 9.398 ( 0.000 -0.156 -0.000) 0.156 9.403 ( 0.000 -0.230 0.000) 0.230 9.955 ( 0.000 -0.080 -0.000) 0.080 9.958 ( -0.000 -0.220 0.000) 0.220 10.061 ( 0.000 0.435 -0.000) 0.435 10.087 ( 0.000 -0.760 0.000) 0.760 10.400 ( 0.000 -0.233 0.000) 0.233 10.400 ( -0.000 -0.422 -0.000) 0.422 10.491 ( 0.000 1.772 0.000) 1.772 10.501 ( 0.000 1.198 -0.000) 1.198 10.558 ( 0.000 -0.591 -0.000) 0.591 10.568 ( 0.000 0.053 0.000) 0.053 10.601 ( 0.000 0.199 0.000) 0.199 10.660 ( 0.000 -1.784 -0.000) 1.784 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 0.000 -5.346 0.000) 5.346 0.402 ( 0.000 5.346 0.000) 5.346 0.695 ( 0.000 -0.519 0.000) 0.519 0.695 ( 0.000 0.519 0.000) 0.519 0.919 ( 0.000 -2.606 0.000) 2.606 0.919 ( 0.000 2.606 0.000) 2.606 0.968 ( 0.000 -6.254 0.000) 6.254 0.968 ( 0.000 6.254 0.000) 6.254 1.061 ( 0.000 -1.708 0.000) 1.708 1.061 ( 0.000 1.708 0.000) 1.708 1.108 ( 0.000 -0.125 0.000) 0.125 1.108 ( 0.000 0.125 0.000) 0.125 1.327 ( 0.000 -0.052 0.000) 0.052 1.327 ( 0.000 0.052 0.000) 0.052 1.460 ( 0.000 -0.994 0.000) 0.994 1.460 ( 0.000 0.994 0.000) 0.994 1.599 ( 0.000 -7.506 0.000) 7.506 1.599 ( 0.000 7.506 0.000) 7.506 1.840 ( 0.000 -0.863 0.000) 0.863 1.840 ( 0.000 0.863 0.000) 0.863 1.896 ( 0.000 -0.936 0.000) 0.936 1.896 ( 0.000 0.936 0.000) 0.936 2.050 ( 0.000 -8.588 0.000) 8.588 2.050 ( 0.000 8.588 0.000) 8.588 2.426 ( 0.000 -1.155 0.000) 1.155 2.426 ( 0.000 1.155 0.000) 1.155 2.614 ( 0.000 -4.059 0.000) 4.059 2.614 ( 0.000 4.059 0.000) 4.059 2.721 ( 0.000 -2.209 0.000) 2.209 2.721 ( 0.000 2.209 0.000) 2.209 2.841 ( 0.000 -0.486 0.000) 0.486 2.841 ( 0.000 0.486 0.000) 0.486 2.979 ( 0.000 -4.183 0.000) 4.183 2.979 ( 0.000 4.183 0.000) 4.183 3.114 ( 0.000 -4.004 0.000) 4.004 3.114 ( 0.000 4.004 0.000) 4.004 3.205 ( 0.000 -0.321 0.000) 0.321 3.205 ( 0.000 0.321 0.000) 0.321 3.409 ( 0.000 -0.046 0.000) 0.046 3.409 ( 0.000 0.046 0.000) 0.046 3.886 ( 0.000 -0.089 0.000) 0.089 3.886 ( 0.000 0.089 0.000) 0.089 4.311 ( 0.000 -0.264 0.000) 0.264 4.311 ( 0.000 0.264 0.000) 0.264 4.876 ( 0.000 -0.253 0.000) 0.253 4.876 ( 0.000 0.253 0.000) 0.253 4.927 ( 0.000 -1.446 0.000) 1.446 4.927 ( 0.000 1.446 0.000) 1.446 5.029 ( 0.000 -1.033 0.000) 1.033 5.029 ( 0.000 1.033 0.000) 1.033 5.101 ( 0.000 -0.621 0.000) 0.621 5.101 ( 0.000 0.621 0.000) 0.621 5.229 ( 0.000 -1.224 0.000) 1.224 5.229 ( 0.000 1.224 0.000) 1.224 5.566 ( 0.000 -0.383 0.000) 0.383 5.566 ( 0.000 0.383 0.000) 0.383 9.277 ( 0.000 -0.228 0.000) 0.228 9.277 ( 0.000 0.228 0.000) 0.228 9.400 ( 0.000 -0.698 0.000) 0.698 9.400 ( 0.000 0.698 0.000) 0.698 9.956 ( 0.000 -0.345 0.000) 0.345 9.956 ( 0.000 0.345 0.000) 0.345 10.075 ( 0.000 -0.838 0.000) 0.838 10.075 ( 0.000 0.838 0.000) 0.838 10.343 ( 0.000 -0.152 0.000) 0.152 10.343 ( 0.000 0.152 0.000) 0.152 10.508 ( 0.000 -0.685 0.000) 0.685 10.508 ( 0.000 0.685 0.000) 0.685 10.584 ( 0.000 -1.154 0.000) 1.154 10.584 ( 0.000 1.154 0.000) 1.154 10.650 ( 0.000 -2.126 0.000) 2.126 10.650 ( 0.000 2.126 0.000) 2.126 ======================= Grid point 30 (18/70) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 6.528 -4.597 0.323) 7.990 0.475 ( 6.528 4.597 0.323) 7.990 0.699 ( 0.724 -3.746 0.715) 3.882 0.699 ( 0.724 3.746 0.715) 3.882 0.928 ( 0.992 -1.749 0.162) 2.018 0.928 ( 0.993 1.749 0.162) 2.018 1.003 ( 3.112 -6.949 -0.354) 7.623 1.003 ( 3.112 6.949 -0.354) 7.623 1.057 ( -0.830 -1.730 0.386) 1.958 1.057 ( -0.830 1.730 0.386) 1.958 1.094 ( -0.981 -2.844 -0.683) 3.085 1.094 ( -0.981 2.844 -0.683) 3.085 1.289 ( -2.921 -2.665 0.900) 4.055 1.289 ( -2.921 2.665 0.900) 4.055 1.484 ( 1.555 -1.469 0.401) 2.177 1.484 ( 1.555 1.469 0.401) 2.177 1.556 ( -3.893 -7.677 -1.396) 8.720 1.556 ( -3.893 7.677 -1.396) 8.720 1.794 ( -4.332 -0.673 1.051) 4.509 1.794 ( -4.332 0.673 1.051) 4.509 1.900 ( 0.333 -1.661 0.767) 1.859 1.900 ( 0.333 1.661 0.767) 1.859 2.073 ( 1.811 -7.228 0.116) 7.452 2.073 ( 1.811 7.228 0.116) 7.452 2.437 ( 1.153 -1.327 -0.959) 2.003 2.437 ( 1.153 1.327 -0.959) 2.003 2.591 ( -1.845 -3.436 -0.241) 3.907 2.591 ( -1.845 3.436 -0.241) 3.907 2.718 ( -1.079 -1.839 -1.366) 2.533 2.718 ( -1.079 1.839 -1.366) 2.533 2.829 ( 0.087 -0.999 -0.738) 1.245 2.829 ( 0.087 0.999 -0.738) 1.245 3.010 ( 1.801 -2.597 2.743) 4.185 3.010 ( 1.801 2.597 2.743) 4.185 3.090 ( -2.195 -3.438 0.045) 4.079 3.090 ( -2.195 3.438 0.045) 4.079 3.193 ( -0.810 -0.411 -1.420) 1.685 3.193 ( -0.810 0.411 -1.420) 1.685 3.423 ( 1.223 -0.334 0.509) 1.366 3.423 ( 1.223 0.334 0.509) 1.366 3.918 ( 3.044 -0.605 -0.067) 3.104 3.918 ( 3.044 0.605 -0.067) 3.104 4.302 ( -0.863 -0.446 0.019) 0.971 4.302 ( -0.863 0.446 0.019) 0.971 4.877 ( 0.077 -0.300 0.018) 0.311 4.877 ( 0.077 0.300 0.018) 0.311 4.928 ( 0.048 -1.305 -0.017) 1.306 4.928 ( 0.048 1.305 -0.017) 1.306 5.030 ( 0.048 -1.038 0.081) 1.042 5.030 ( 0.048 1.038 0.081) 1.042 5.100 ( -0.082 -0.710 -0.082) 0.720 5.100 ( -0.082 0.710 -0.082) 0.720 5.230 ( 0.065 -1.285 -0.029) 1.287 5.230 ( 0.065 1.285 -0.029) 1.287 5.567 ( 0.072 -0.497 0.050) 0.505 5.567 ( 0.072 0.497 0.050) 0.505 9.277 ( 0.017 -0.213 -0.050) 0.219 9.277 ( 0.017 0.213 -0.050) 0.219 9.400 ( -0.045 -0.563 0.083) 0.571 9.400 ( -0.045 0.563 0.083) 0.571 9.956 ( -0.032 -0.405 0.004) 0.406 9.956 ( -0.032 0.405 0.004) 0.406 10.074 ( -0.072 -0.814 -0.003) 0.817 10.074 ( -0.072 0.814 -0.003) 0.817 10.355 ( 1.233 -0.135 -0.146) 1.248 10.355 ( 1.233 0.135 -0.146) 1.248 10.509 ( 0.093 -0.739 -0.107) 0.753 10.509 ( 0.093 0.739 -0.107) 0.753 10.579 ( -0.508 -1.046 -0.066) 1.164 10.579 ( -0.508 1.046 -0.066) 1.164 10.643 ( -0.650 -2.086 0.293) 2.204 10.643 ( -0.650 2.086 0.293) 2.204 ======================= Grid point 32 (19/70) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 5.423 -2.934 0.360) 6.176 0.599 ( 5.423 2.934 0.360) 6.176 0.737 ( 3.169 -3.819 0.967) 5.056 0.737 ( 3.169 3.819 0.967) 5.056 0.942 ( -0.893 -1.671 0.467) 1.951 0.942 ( -0.893 1.671 0.467) 1.951 1.012 ( -1.418 -2.886 -1.515) 3.554 1.012 ( -1.418 2.886 -1.515) 3.554 1.064 ( 1.241 -6.196 0.436) 6.334 1.064 ( 1.241 6.196 0.436) 6.334 1.090 ( 0.800 -3.846 -0.098) 3.930 1.090 ( 0.800 3.846 -0.098) 3.930 1.260 ( 0.289 -4.402 0.986) 4.521 1.260 ( 0.289 4.402 0.986) 4.521 1.459 ( -4.287 -7.001 -1.150) 8.289 1.459 ( -4.287 7.001 -1.150) 8.289 1.508 ( -0.420 -3.851 -0.268) 3.884 1.508 ( -0.420 3.851 -0.268) 3.884 1.710 ( -3.932 -1.397 1.559) 4.455 1.710 ( -3.932 1.397 1.559) 4.455 1.906 ( 0.031 -2.193 0.647) 2.287 1.906 ( 0.031 2.193 0.647) 2.287 2.102 ( 1.079 -4.195 -0.034) 4.332 2.102 ( 1.079 4.195 -0.034) 4.332 2.457 ( 0.897 -1.429 -1.279) 2.117 2.457 ( 0.897 1.429 -1.279) 2.117 2.563 ( -0.778 -1.671 0.228) 1.858 2.563 ( -0.778 1.671 0.228) 1.858 2.683 ( -1.591 -1.710 -1.601) 2.831 2.683 ( -1.591 1.710 -1.601) 2.831 2.848 ( 1.376 -2.160 0.149) 2.565 2.848 ( 1.376 2.160 0.149) 2.565 3.010 ( -2.288 -2.971 1.155) 3.923 3.010 ( -2.288 2.971 1.155) 3.923 3.068 ( 0.282 -0.461 0.518) 0.748 3.068 ( 0.282 0.461 0.518) 0.748 3.181 ( -0.115 -0.216 -0.962) 0.992 3.181 ( -0.115 0.216 -0.962) 0.992 3.447 ( 0.944 -0.351 0.396) 1.082 3.447 ( 0.944 0.351 0.396) 1.082 3.980 ( 3.010 -0.733 -0.080) 3.100 3.980 ( 3.010 0.733 -0.080) 3.100 4.282 ( -1.111 -0.881 0.034) 1.419 4.282 ( -1.111 0.881 0.034) 1.419 4.878 ( 0.080 -0.412 0.022) 0.420 4.878 ( 0.080 0.412 0.022) 0.420 4.929 ( 0.038 -0.926 -0.025) 0.927 4.929 ( 0.038 0.926 -0.025) 0.927 5.031 ( 0.049 -1.040 0.084) 1.045 5.031 ( 0.049 1.040 0.084) 1.045 5.099 ( -0.088 -0.853 -0.087) 0.862 5.099 ( -0.088 0.853 -0.087) 0.862 5.231 ( 0.077 -1.384 -0.019) 1.386 5.231 ( 0.077 1.384 -0.019) 1.386 5.569 ( 0.075 -0.675 0.045) 0.681 5.569 ( 0.075 0.675 0.045) 0.681 9.278 ( 0.024 -0.139 -0.049) 0.150 9.278 ( 0.024 0.139 -0.049) 0.150 9.399 ( -0.066 -0.304 0.077) 0.320 9.399 ( -0.066 0.304 0.077) 0.320 9.955 ( -0.026 -0.320 0.006) 0.321 9.955 ( -0.026 0.320 0.006) 0.321 10.073 ( -0.061 -0.740 -0.004) 0.743 10.073 ( -0.061 0.740 -0.004) 0.743 10.382 ( 1.389 -0.101 -0.162) 1.402 10.382 ( 1.389 0.101 -0.162) 1.402 10.511 ( 0.177 -0.727 -0.120) 0.758 10.511 ( 0.177 0.727 -0.120) 0.758 10.565 ( -0.820 -0.841 -0.038) 1.175 10.565 ( -0.820 0.841 -0.038) 1.175 10.631 ( -0.578 -1.882 0.298) 1.991 10.631 ( -0.578 1.882 0.298) 1.991 ======================= Grid point 34 (20/70) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 -1.126 -0.000) 1.126 0.655 ( 0.000 1.126 0.000) 1.126 0.791 ( 0.000 -2.504 -0.000) 2.504 0.791 ( 0.000 2.504 -0.000) 2.504 0.901 ( 0.000 -1.107 -0.000) 1.107 0.901 ( 0.000 1.107 0.000) 1.107 1.013 ( 0.000 -4.934 -0.000) 4.934 1.013 ( 0.000 4.934 -0.000) 4.934 1.068 ( 0.000 -5.956 -0.000) 5.956 1.068 ( 0.000 5.956 -0.000) 5.956 1.101 ( 0.000 -4.120 0.000) 4.120 1.101 ( 0.000 4.120 0.000) 4.120 1.282 ( 0.000 -2.980 0.000) 2.980 1.282 ( 0.000 2.980 0.000) 2.980 1.405 ( 0.000 -2.456 -0.000) 2.456 1.405 ( 0.000 2.456 -0.000) 2.456 1.495 ( 0.000 -3.075 0.000) 3.075 1.495 ( 0.000 3.075 0.000) 3.075 1.674 ( 0.000 -2.501 0.000) 2.501 1.674 ( 0.000 2.501 0.000) 2.501 1.906 ( 0.000 -2.474 0.000) 2.474 1.906 ( 0.000 2.474 -0.000) 2.474 2.112 ( 0.000 -0.886 -0.000) 0.886 2.112 ( 0.000 0.886 0.000) 0.886 2.463 ( 0.000 -0.494 -0.000) 0.494 2.463 ( 0.000 0.494 -0.000) 0.494 2.559 ( 0.000 -0.239 0.000) 0.239 2.559 ( 0.000 0.239 0.000) 0.239 2.665 ( 0.000 -1.988 -0.000) 1.988 2.665 ( 0.000 1.988 -0.000) 1.988 2.865 ( 0.000 -2.694 0.000) 2.694 2.865 ( 0.000 2.694 -0.000) 2.694 2.981 ( 0.000 -2.054 0.000) 2.054 2.981 ( 0.000 2.054 -0.000) 2.054 3.073 ( 0.000 -0.131 -0.000) 0.131 3.073 ( 0.000 0.131 -0.000) 0.131 3.181 ( 0.000 -0.418 0.000) 0.418 3.181 ( 0.000 0.418 0.000) 0.418 3.456 ( 0.000 -0.284 -0.000) 0.284 3.456 ( 0.000 0.284 0.000) 0.284 4.012 ( 0.000 -0.463 -0.000) 0.463 4.012 ( 0.000 0.463 -0.000) 0.463 4.269 ( 0.000 -1.158 -0.000) 1.158 4.269 ( 0.000 1.158 -0.000) 1.158 4.879 ( 0.000 -0.476 -0.000) 0.476 4.879 ( 0.000 0.476 0.000) 0.476 4.929 ( 0.000 -0.630 0.000) 0.630 4.929 ( 0.000 0.630 -0.000) 0.630 5.031 ( 0.000 -1.037 0.000) 1.037 5.031 ( 0.000 1.037 0.000) 1.037 5.098 ( 0.000 -0.911 -0.000) 0.911 5.098 ( 0.000 0.911 -0.000) 0.911 5.232 ( 0.000 -1.421 -0.000) 1.421 5.232 ( 0.000 1.421 -0.000) 1.421 5.570 ( 0.000 -0.751 0.000) 0.751 5.570 ( 0.000 0.751 0.000) 0.751 9.278 ( 0.000 -0.019 0.000) 0.019 9.278 ( 0.000 0.019 0.000) 0.019 9.398 ( 0.000 -0.178 0.000) 0.178 9.398 ( 0.000 0.178 0.000) 0.178 9.955 ( 0.000 -0.105 -0.000) 0.105 9.955 ( 0.000 0.105 0.000) 0.105 10.072 ( 0.000 -0.692 -0.000) 0.692 10.072 ( 0.000 0.692 0.000) 0.692 10.397 ( 0.000 -0.044 0.000) 0.044 10.397 ( 0.000 0.044 0.000) 0.044 10.513 ( 0.000 -0.171 0.000) 0.171 10.513 ( 0.000 0.171 0.000) 0.171 10.555 ( 0.000 -0.546 -0.000) 0.546 10.555 ( 0.000 0.546 -0.000) 0.546 10.625 ( 0.000 -1.692 -0.000) 1.692 10.625 ( 0.000 1.692 0.000) 1.692 ======================= Grid point 63 (21/70) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( 0.730 0.000 10.275) 10.301 0.219 ( -3.067 0.000 10.394) 10.837 0.528 ( 4.936 0.000 23.235) 23.753 0.614 ( 2.941 0.000 -7.314) 7.884 0.641 ( -0.819 0.000 -9.118) 9.155 0.801 ( -0.612 0.000 2.491) 2.565 0.864 ( -4.462 0.000 4.391) 6.260 0.929 ( -1.135 0.000 0.256) 1.164 0.995 ( 2.423 0.000 -2.157) 3.244 1.073 ( -1.686 0.000 -0.148) 1.693 1.161 ( -0.789 0.000 -2.247) 2.381 1.285 ( 0.235 0.000 -2.580) 2.591 1.347 ( -1.679 0.000 5.708) 5.949 1.385 ( 3.557 0.000 -1.107) 3.726 1.418 ( -3.012 0.000 -3.483) 4.605 1.508 ( 3.478 0.000 4.025) 5.319 1.654 ( 0.767 0.000 1.103) 1.343 1.674 ( -1.893 0.000 0.958) 2.121 1.872 ( 0.810 0.000 -3.287) 3.386 1.930 ( -2.343 0.000 -8.136) 8.467 2.058 ( -2.485 0.000 -0.019) 2.486 2.128 ( 5.854 0.000 -3.826) 6.993 2.247 ( 1.092 0.000 -1.833) 2.134 2.281 ( -4.857 0.000 0.505) 4.883 2.340 ( -1.959 0.000 -1.843) 2.689 2.392 ( -1.156 0.000 -2.529) 2.781 2.533 ( 0.049 0.000 5.008) 5.008 2.622 ( 0.365 0.000 -0.286) 0.464 2.646 ( -2.203 0.000 7.262) 7.588 2.725 ( -0.677 0.000 0.177) 0.700 2.767 ( -7.917 0.000 5.550) 9.669 2.853 ( 1.675 0.000 -1.298) 2.119 2.907 ( -3.103 0.000 -2.674) 4.096 2.956 ( 0.546 0.000 -0.564) 0.785 3.048 ( 6.044 0.000 1.278) 6.178 3.109 ( 7.458 0.000 1.983) 7.717 3.139 ( 0.562 0.000 -1.853) 1.936 3.235 ( -2.623 0.000 -3.108) 4.067 3.329 ( 2.040 0.000 2.596) 3.302 3.480 ( 0.114 0.000 -3.188) 3.190 3.861 ( 0.189 0.000 0.685) 0.711 3.881 ( -2.254 0.000 -0.072) 2.255 4.200 ( -0.017 0.000 1.003) 1.004 4.248 ( 0.007 0.000 -0.814) 0.815 4.834 ( 0.012 0.000 0.807) 0.807 4.887 ( -0.432 0.000 -1.331) 1.399 4.951 ( -0.058 0.000 0.330) 0.335 4.957 ( 0.567 0.000 0.192) 0.598 4.972 ( -0.118 0.000 2.261) 2.264 5.075 ( -0.744 0.000 -1.363) 1.553 5.097 ( -0.013 0.000 0.459) 0.459 5.151 ( 0.180 0.000 -1.801) 1.810 5.201 ( 0.965 0.000 1.640) 1.903 5.291 ( -0.633 0.000 -1.831) 1.937 5.556 ( -0.122 0.000 1.152) 1.158 5.604 ( 2.360 0.000 -0.758) 2.479 9.267 ( 0.191 0.000 0.417) 0.459 9.287 ( -0.119 0.000 -0.338) 0.358 9.398 ( 0.344 0.000 -0.040) 0.346 9.401 ( -0.337 0.000 -0.141) 0.365 9.955 ( 0.114 0.000 0.183) 0.216 9.965 ( -0.095 0.000 -0.199) 0.221 10.052 ( -0.088 0.000 0.706) 0.712 10.097 ( 0.262 0.000 -1.041) 1.074 10.293 ( 0.569 0.000 0.520) 0.771 10.298 ( -0.198 0.000 0.242) 0.313 10.443 ( 0.019 0.000 1.960) 1.960 10.492 ( 0.606 0.000 1.100) 1.256 10.560 ( 0.097 0.000 -1.791) 1.793 10.576 ( 0.102 0.000 -1.384) 1.388 10.761 ( 0.522 0.000 0.547) 0.756 10.792 ( 0.127 0.000 -0.604) 0.617 ======================= Grid point 64 (22/70) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 8.501 0.000 7.675) 11.453 0.351 ( 10.989 0.000 5.317) 12.208 0.619 ( 1.229 0.000 -4.338) 4.508 0.698 ( 6.908 0.000 14.085) 15.688 0.721 ( 8.677 0.000 -5.323) 10.180 0.776 ( -4.746 0.000 4.317) 6.416 0.831 ( 3.065 0.000 2.126) 3.730 0.929 ( 1.134 0.000 -0.712) 1.339 1.015 ( -4.569 0.000 -1.393) 4.777 1.028 ( 1.067 0.000 -0.984) 1.452 1.121 ( -2.744 0.000 -0.324) 2.763 1.245 ( -3.838 0.000 -0.692) 3.899 1.335 ( -4.336 0.000 -4.954) 6.583 1.349 ( 1.763 0.000 2.728) 3.248 1.398 ( -3.171 0.000 -0.906) 3.298 1.591 ( 3.791 0.000 7.952) 8.809 1.673 ( 2.044 0.000 -1.348) 2.449 1.684 ( 1.461 0.000 1.464) 2.068 1.883 ( 0.964 0.000 -3.159) 3.303 1.887 ( 0.046 0.000 -10.645) 10.646 1.977 ( -5.356 0.000 -0.928) 5.435 2.119 ( -6.657 0.000 -1.718) 6.875 2.252 ( 1.072 0.000 -2.154) 2.406 2.276 ( 1.017 0.000 2.896) 3.070 2.332 ( 2.490 0.000 1.016) 2.690 2.369 ( -0.633 0.000 -1.982) 2.081 2.514 ( -5.290 0.000 12.094) 13.200 2.540 ( 0.157 0.000 3.102) 3.106 2.676 ( -0.527 0.000 0.792) 0.951 2.678 ( -3.297 0.000 -0.009) 3.297 2.757 ( 2.983 0.000 2.412) 3.836 2.846 ( -1.945 0.000 -3.815) 4.282 2.910 ( 3.211 0.000 -0.032) 3.211 2.955 ( -0.502 0.000 -0.731) 0.887 3.094 ( 0.422 0.000 1.240) 1.310 3.097 ( -4.222 0.000 -0.729) 4.284 3.168 ( -0.100 0.000 1.766) 1.769 3.221 ( 1.940 0.000 -3.955) 4.405 3.354 ( -0.181 0.000 1.622) 1.632 3.468 ( -0.905 0.000 -3.342) 3.462 3.896 ( 2.991 0.000 1.163) 3.209 3.934 ( 4.631 0.000 -2.961) 5.497 4.192 ( -1.015 0.000 1.117) 1.509 4.262 ( 1.380 0.000 -2.446) 2.808 4.840 ( 0.450 0.000 0.908) 1.013 4.876 ( -0.341 0.000 -1.062) 1.115 4.948 ( -0.283 0.000 0.435) 0.519 4.974 ( -0.240 0.000 2.273) 2.285 4.974 ( 1.030 0.000 -0.041) 1.030 5.053 ( -1.066 0.000 -0.956) 1.431 5.097 ( -0.078 0.000 0.489) 0.496 5.153 ( 0.383 0.000 -1.905) 1.943 5.214 ( 0.069 0.000 2.030) 2.032 5.277 ( -0.234 0.000 -2.191) 2.203 5.555 ( -0.131 0.000 0.983) 0.992 5.639 ( 1.062 0.000 -2.253) 2.491 9.269 ( -0.073 0.000 0.572) 0.577 9.285 ( -0.012 0.000 -0.454) 0.454 9.391 ( -0.347 0.000 -0.504) 0.612 9.401 ( -0.091 0.000 0.017) 0.092 9.956 ( -0.002 0.000 0.213) 0.213 9.961 ( -0.113 0.000 -0.291) 0.312 10.052 ( -0.095 0.000 0.720) 0.726 10.099 ( 0.097 0.000 -0.944) 0.949 10.318 ( 2.061 0.000 0.394) 2.099 10.342 ( 3.271 0.000 -0.871) 3.385 10.447 ( -0.073 0.000 2.103) 2.104 10.508 ( 0.923 0.000 0.139) 0.933 10.556 ( -0.239 0.000 -1.688) 1.705 10.580 ( 0.609 0.000 -1.544) 1.659 10.701 ( -5.130 0.000 3.523) 6.223 10.776 ( -1.602 0.000 -0.934) 1.855 ======================= Grid point 65 (23/70) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 8.930 0.000 5.355) 10.413 0.537 ( 4.530 0.000 2.730) 5.289 0.647 ( 1.321 0.000 3.583) 3.819 0.687 ( 0.843 0.000 -3.994) 4.082 0.843 ( -2.699 0.000 1.835) 3.264 0.890 ( 7.588 0.000 12.840) 14.914 0.901 ( 3.504 0.000 -1.596) 3.851 0.918 ( 1.417 0.000 -4.193) 4.426 0.953 ( 1.203 0.000 -2.423) 2.705 1.045 ( 1.280 0.000 -2.802) 3.081 1.064 ( -2.715 0.000 0.830) 2.839 1.164 ( -4.850 0.000 0.403) 4.866 1.268 ( -0.387 0.000 -6.312) 6.323 1.277 ( -8.874 0.000 2.015) 9.100 1.409 ( 3.368 0.000 4.400) 5.541 1.667 ( 3.020 0.000 3.468) 4.599 1.698 ( -1.406 0.000 -2.112) 2.537 1.699 ( -0.155 0.000 0.759) 0.774 1.868 ( 0.008 0.000 -2.736) 2.736 1.883 ( -1.852 0.000 -4.593) 4.952 1.919 ( 1.242 0.000 -8.024) 8.120 1.988 ( -4.788 0.000 1.645) 5.063 2.245 ( -0.341 0.000 -0.955) 1.015 2.263 ( -2.955 0.000 3.760) 4.782 2.376 ( 1.177 0.000 1.494) 1.902 2.421 ( 5.222 0.000 0.832) 5.288 2.476 ( -1.241 0.000 9.874) 9.952 2.554 ( 0.642 0.000 1.262) 1.416 2.619 ( -2.662 0.000 0.725) 2.759 2.665 ( -0.305 0.000 0.000) 0.305 2.756 ( -2.447 0.000 -3.095) 3.946 2.868 ( 3.092 0.000 1.193) 3.314 2.915 ( -2.990 0.000 -2.721) 4.043 2.960 ( 1.279 0.000 -0.357) 1.328 3.028 ( -2.057 0.000 0.312) 2.080 3.081 ( -0.883 0.000 -0.677) 1.113 3.191 ( 2.006 0.000 1.778) 2.680 3.266 ( 3.006 0.000 -1.925) 3.569 3.334 ( -1.759 0.000 -0.077) 1.761 3.421 ( -3.532 0.000 -1.609) 3.881 3.959 ( 2.856 0.000 1.292) 3.135 3.998 ( 2.639 0.000 -2.224) 3.451 4.168 ( -1.568 0.000 1.398) 2.101 4.283 ( 1.384 0.000 -3.745) 3.993 4.851 ( 0.374 0.000 0.763) 0.850 4.872 ( 0.047 0.000 -0.636) 0.637 4.944 ( -0.165 0.000 1.187) 1.198 4.970 ( -0.482 0.000 1.660) 1.729 4.992 ( 0.855 0.000 -0.319) 0.913 5.033 ( -0.757 0.000 -0.840) 1.131 5.096 ( -0.105 0.000 0.495) 0.506 5.157 ( 0.430 0.000 -2.054) 2.099 5.214 ( -0.462 0.000 2.120) 2.170 5.277 ( 0.591 0.000 -1.940) 2.028 5.555 ( -0.122 0.000 1.057) 1.064 5.643 ( -0.062 0.000 -1.894) 1.895 9.268 ( -0.098 0.000 0.532) 0.541 9.285 ( 0.138 0.000 -0.459) 0.479 9.387 ( 0.020 0.000 -0.753) 0.753 9.396 ( -0.335 0.000 -0.232) 0.408 9.956 ( -0.114 0.000 0.154) 0.191 9.960 ( 0.043 0.000 -0.341) 0.344 10.051 ( -0.085 0.000 0.795) 0.800 10.099 ( 0.055 0.000 -0.915) 0.916 10.365 ( 2.520 0.000 0.824) 2.651 10.395 ( 2.353 0.000 0.034) 2.353 10.444 ( -0.702 0.000 2.159) 2.271 10.526 ( 1.011 0.000 -0.108) 1.016 10.542 ( -1.186 0.000 -0.891) 1.483 10.594 ( 1.120 0.000 -1.780) 2.103 10.625 ( -3.226 0.000 3.204) 4.547 10.736 ( -2.039 0.000 -1.546) 2.559 ======================= Grid point 66 (24/70) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -6.379 0.000 5.371) 8.339 0.609 ( -4.223 0.000 2.814) 5.074 0.714 ( 3.368 0.000 1.596) 3.727 0.752 ( 0.719 0.000 1.515) 1.677 0.791 ( 6.362 0.000 4.358) 7.711 0.921 ( -1.139 0.000 -4.391) 4.536 0.934 ( -0.272 0.000 -4.217) 4.226 0.953 ( 1.460 0.000 -5.143) 5.346 1.005 ( -4.090 0.000 3.509) 5.389 1.024 ( -5.162 0.000 0.046) 5.162 1.034 ( -1.820 0.000 0.496) 1.886 1.143 ( 0.403 0.000 4.856) 4.873 1.153 ( 5.194 0.000 0.729) 5.245 1.287 ( 2.007 0.000 -3.388) 3.937 1.483 ( 3.040 0.000 5.208) 6.031 1.602 ( -6.007 0.000 -1.954) 6.317 1.687 ( -1.216 0.000 0.527) 1.325 1.728 ( 2.680 0.000 -1.273) 2.967 1.788 ( -3.813 0.000 -5.332) 6.555 1.904 ( 2.055 0.000 2.728) 3.416 1.954 ( 3.672 0.000 -8.548) 9.303 1.976 ( 0.979 0.000 1.104) 1.476 2.211 ( -2.146 0.000 2.269) 3.123 2.254 ( 1.595 0.000 0.298) 1.623 2.402 ( 1.122 0.000 2.675) 2.901 2.493 ( 0.697 0.000 10.253) 10.277 2.499 ( 1.732 0.000 2.685) 3.195 2.545 ( -1.337 0.000 -2.035) 2.435 2.606 ( 1.013 0.000 2.535) 2.730 2.663 ( -0.324 0.000 -1.071) 1.119 2.700 ( -2.096 0.000 -3.075) 3.721 2.852 ( -1.457 0.000 -4.595) 4.820 2.912 ( 1.073 0.000 2.941) 3.131 2.968 ( -0.449 0.000 -0.908) 1.013 3.015 ( 0.280 0.000 0.785) 0.833 3.074 ( 0.278 0.000 -3.037) 3.050 3.236 ( 1.640 0.000 1.397) 2.155 3.299 ( -1.487 0.000 -1.181) 1.899 3.316 ( 1.955 0.000 -0.071) 1.956 3.341 ( -3.648 0.000 -1.132) 3.820 3.986 ( -0.636 0.000 0.666) 0.921 4.030 ( 1.188 0.000 -1.146) 1.651 4.152 ( -0.092 0.000 1.749) 1.752 4.298 ( 0.877 0.000 -4.221) 4.311 4.854 ( -0.180 0.000 0.459) 0.493 4.875 ( 0.377 0.000 -0.328) 0.500 4.945 ( -0.131 0.000 2.187) 2.191 4.965 ( -0.166 0.000 0.800) 0.817 4.996 ( -0.598 0.000 -0.571) 0.827 5.029 ( 0.593 0.000 -0.649) 0.879 5.095 ( -0.079 0.000 0.473) 0.479 5.160 ( 0.267 0.000 -2.190) 2.206 5.207 ( -0.612 0.000 1.897) 1.993 5.289 ( 0.870 0.000 -1.457) 1.698 5.555 ( -0.118 0.000 1.277) 1.282 5.634 ( -0.458 0.000 -1.922) 1.976 9.268 ( -0.062 0.000 0.412) 0.417 9.288 ( 0.172 0.000 -0.371) 0.409 9.388 ( 0.158 0.000 -0.707) 0.725 9.389 ( -0.237 0.000 -0.477) 0.533 9.953 ( -0.132 0.000 0.068) 0.148 9.961 ( 0.133 0.000 -0.296) 0.324 10.051 ( -0.061 0.000 0.850) 0.852 10.098 ( 0.067 0.000 -0.962) 0.965 10.405 ( 1.230 0.000 0.845) 1.492 10.424 ( -1.724 0.000 2.140) 2.748 10.431 ( 1.357 0.000 0.778) 1.564 10.504 ( -2.589 0.000 0.957) 2.760 10.545 ( 0.910 0.000 -0.641) 1.113 10.595 ( -0.479 0.000 1.511) 1.585 10.608 ( 0.301 0.000 -1.737) 1.763 10.710 ( 0.129 0.000 -1.802) 1.807 ======================= Grid point 67 (25/70) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -4.223 0.000 12.800) 13.479 0.454 ( -9.759 0.000 3.165) 10.259 0.684 ( -8.587 0.000 1.658) 8.745 0.746 ( -4.083 0.000 -3.335) 5.272 0.818 ( -9.173 0.000 1.273) 9.261 0.888 ( 2.483 0.000 5.865) 6.369 0.905 ( -3.696 0.000 -0.337) 3.711 0.935 ( 0.789 0.000 -6.893) 6.938 0.965 ( 5.451 0.000 -1.715) 5.714 1.015 ( -0.471 0.000 -0.988) 1.095 1.023 ( 4.493 0.000 0.956) 4.594 1.226 ( 1.456 0.000 1.982) 2.459 1.242 ( 5.837 0.000 -0.665) 5.875 1.324 ( 2.384 0.000 0.839) 2.528 1.501 ( -4.095 0.000 0.162) 4.098 1.504 ( -1.885 0.000 3.362) 3.855 1.660 ( -0.625 0.000 -0.793) 1.010 1.751 ( -0.363 0.000 -1.160) 1.216 1.790 ( 3.979 0.000 -3.908) 5.577 1.933 ( 1.093 0.000 0.901) 1.417 1.991 ( 0.714 0.000 -2.192) 2.305 2.016 ( 3.769 0.000 -4.631) 5.971 2.210 ( 1.666 0.000 -1.246) 2.080 2.302 ( 2.761 0.000 0.531) 2.812 2.429 ( 1.104 0.000 2.130) 2.399 2.490 ( -2.379 0.000 -0.191) 2.387 2.510 ( -2.170 0.000 4.100) 4.639 2.528 ( 0.818 0.000 8.594) 8.633 2.628 ( -1.224 0.000 -1.262) 1.758 2.643 ( 2.259 0.000 0.880) 2.425 2.701 ( 1.477 0.000 2.445) 2.856 2.868 ( 3.257 0.000 -5.107) 6.057 2.931 ( 0.585 0.000 2.333) 2.405 2.937 ( -2.139 0.000 -2.384) 3.203 3.043 ( 2.369 0.000 2.033) 3.122 3.067 ( -0.589 0.000 -2.612) 2.678 3.178 ( -7.016 0.000 1.392) 7.152 3.273 ( -0.791 0.000 -1.579) 1.767 3.336 ( -0.102 0.000 0.628) 0.636 3.358 ( 4.464 0.000 -2.233) 4.992 3.944 ( -3.264 0.000 0.527) 3.307 4.037 ( -0.322 0.000 -1.606) 1.638 4.168 ( 1.142 0.000 1.428) 1.829 4.298 ( -0.151 0.000 -4.487) 4.490 4.847 ( -0.574 0.000 0.423) 0.714 4.884 ( 0.537 0.000 -0.304) 0.617 4.946 ( -0.120 0.000 1.865) 1.868 4.967 ( 0.126 0.000 1.013) 1.021 4.976 ( -1.132 0.000 -0.619) 1.290 5.046 ( 1.155 0.000 -0.403) 1.223 5.095 ( -0.016 0.000 0.435) 0.435 5.158 ( -0.038 0.000 -2.137) 2.137 5.199 ( -0.527 0.000 1.455) 1.548 5.301 ( 0.528 0.000 -1.200) 1.311 5.555 ( -0.110 0.000 1.429) 1.433 5.618 ( -0.910 0.000 -2.161) 2.345 9.267 ( -0.107 0.000 0.266) 0.286 9.290 ( 0.086 0.000 -0.277) 0.290 9.387 ( 0.073 0.000 -0.539) 0.544 9.391 ( 0.276 0.000 -0.466) 0.541 9.952 ( -0.035 0.000 0.028) 0.045 9.963 ( 0.111 0.000 -0.223) 0.249 10.052 ( -0.054 0.000 0.848) 0.850 10.097 ( 0.061 0.000 -1.042) 1.044 10.375 ( -2.927 0.000 0.954) 3.078 10.426 ( -2.756 0.000 -2.130) 3.483 10.430 ( 0.531 0.000 1.718) 1.798 10.472 ( -0.299 0.000 3.504) 3.516 10.556 ( 0.491 0.000 -1.731) 1.800 10.597 ( -0.787 0.000 -1.561) 1.748 10.612 ( 1.864 0.000 3.309) 3.798 10.734 ( 2.278 0.000 -1.492) 2.723 ======================= Grid point 68 (26/70) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( -8.621 0.000 6.369) 10.719 0.363 ( -5.144 0.000 13.688) 14.622 0.473 ( -8.495 0.000 13.876) 16.269 0.643 ( -4.025 0.000 -6.566) 7.702 0.700 ( -3.795 0.000 -6.319) 7.371 0.840 ( -3.329 0.000 1.576) 3.684 0.912 ( -1.292 0.000 5.619) 5.766 0.952 ( 2.316 0.000 -4.163) 4.763 0.963 ( -2.216 0.000 0.431) 2.257 1.088 ( 0.936 0.000 -1.035) 1.395 1.111 ( 6.431 0.000 -1.944) 6.719 1.257 ( 2.197 0.000 1.822) 2.854 1.329 ( 3.414 0.000 -3.405) 4.821 1.355 ( 0.044 0.000 4.290) 4.290 1.460 ( 0.056 0.000 2.480) 2.481 1.464 ( -1.945 0.000 -1.264) 2.320 1.655 ( -0.349 0.000 0.072) 0.356 1.718 ( -2.520 0.000 0.497) 2.568 1.855 ( 2.194 0.000 -2.335) 3.204 1.955 ( 0.909 0.000 -2.482) 2.643 2.025 ( 4.536 0.000 -4.764) 6.579 2.065 ( 1.662 0.000 -1.625) 2.324 2.240 ( 1.354 0.000 -5.472) 5.637 2.331 ( -0.175 0.000 -0.271) 0.322 2.411 ( -4.676 0.000 -1.827) 5.020 2.427 ( -1.647 0.000 -2.423) 2.929 2.514 ( 0.636 0.000 6.984) 7.013 2.556 ( 2.287 0.000 3.166) 3.905 2.655 ( 1.804 0.000 3.397) 3.846 2.693 ( 2.831 0.000 0.127) 2.833 2.789 ( 8.954 0.000 10.339) 13.677 2.872 ( -2.268 0.000 -2.192) 3.154 2.929 ( -2.268 0.000 0.288) 2.286 2.933 ( 2.241 0.000 -3.407) 4.078 3.020 ( -9.253 0.000 1.475) 9.369 3.054 ( 0.224 0.000 -0.424) 0.480 3.103 ( 3.051 0.000 0.768) 3.146 3.267 ( 0.362 0.000 -2.088) 2.119 3.315 ( -1.683 0.000 1.367) 2.169 3.441 ( 4.164 0.000 -2.421) 4.816 3.885 ( -2.621 0.000 0.597) 2.688 3.994 ( -4.502 0.000 -4.475) 6.348 4.190 ( 0.801 0.000 1.070) 1.336 4.272 ( -1.622 0.000 -3.541) 3.895 4.837 ( -0.468 0.000 0.608) 0.767 4.891 ( 0.239 0.000 -0.770) 0.806 4.949 ( 0.079 0.000 0.986) 0.989 4.957 ( -0.597 0.000 -0.245) 0.645 4.971 ( -0.060 0.000 1.661) 1.662 5.069 ( 1.260 0.000 -0.418) 1.327 5.096 ( 0.021 0.000 0.427) 0.428 5.153 ( -0.058 0.000 -1.883) 1.884 5.192 ( -0.399 0.000 1.092) 1.162 5.302 ( -0.155 0.000 -1.337) 1.346 5.556 ( -0.105 0.000 1.378) 1.382 5.594 ( -0.935 0.000 -1.262) 1.570 9.265 ( -0.081 0.000 0.221) 0.236 9.289 ( -0.057 0.000 -0.248) 0.254 9.391 ( 0.403 0.000 -0.356) 0.538 9.397 ( 0.461 0.000 -0.002) 0.461 9.952 ( 0.098 0.000 0.082) 0.127 9.965 ( 0.062 0.000 -0.154) 0.166 10.052 ( -0.074 0.000 0.781) 0.785 10.096 ( 0.052 0.000 -1.099) 1.101 10.323 ( -2.373 0.000 0.541) 2.434 10.345 ( -4.658 0.000 -1.839) 5.008 10.439 ( 0.110 0.000 1.827) 1.830 10.481 ( 0.281 0.000 2.489) 2.505 10.560 ( 0.316 0.000 -1.868) 1.894 10.582 ( -0.426 0.000 -1.417) 1.480 10.682 ( 4.763 0.000 4.650) 6.657 10.774 ( 1.815 0.000 -0.927) 2.038 ======================= Grid point 69 (27/70) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( 2.047 6.708 6.318) 9.440 0.386 ( -2.596 10.862 7.164) 13.268 0.555 ( 2.548 2.521 15.527) 15.935 0.619 ( -0.483 1.315 -4.855) 5.053 0.723 ( 3.791 6.197 -4.826) 8.721 0.817 ( -1.408 1.098 3.158) 3.627 0.889 ( -3.277 2.884 1.855) 4.743 0.914 ( -0.882 -0.435 0.910) 1.340 0.990 ( 1.588 -0.775 -2.094) 2.740 1.072 ( -1.659 -0.363 -1.757) 2.444 1.145 ( 0.598 -1.758 -1.991) 2.722 1.255 ( 0.384 -1.652 -2.357) 2.904 1.330 ( -0.411 -1.407 3.779) 4.053 1.391 ( 1.058 -0.627 -2.703) 2.970 1.414 ( -2.603 -0.110 -0.051) 2.606 1.554 ( 2.954 3.758 4.096) 6.295 1.641 ( 1.636 -1.741 1.247) 2.695 1.668 ( -1.853 -0.183 1.787) 2.581 1.869 ( 0.058 -3.423 -5.032) 6.086 1.912 ( -0.283 1.590 -4.902) 5.162 2.027 ( -0.222 -2.305 0.828) 2.459 2.105 ( 3.791 -4.121 -2.260) 6.038 2.176 ( -1.156 -7.236 1.262) 7.436 2.232 ( -0.591 -2.717 -4.065) 4.925 2.328 ( -2.435 -0.822 -2.511) 3.593 2.401 ( -3.079 2.349 -4.307) 5.792 2.490 ( -1.459 -2.777 9.215) 9.734 2.629 ( 1.244 0.028 0.016) 1.245 2.673 ( 1.923 1.041 2.872) 3.610 2.746 ( -3.308 2.258 -0.859) 4.096 2.806 ( -2.023 1.737 2.561) 3.697 2.864 ( -0.085 0.343 0.109) 0.370 2.923 ( -0.116 0.058 1.012) 1.020 2.996 ( -2.061 4.804 -2.945) 6.000 3.048 ( 6.112 -0.379 2.471) 6.603 3.075 ( 0.710 -0.894 2.730) 2.959 3.153 ( 0.924 0.948 -1.803) 2.237 3.246 ( -0.848 1.299 -3.540) 3.865 3.342 ( 1.567 1.163 1.981) 2.781 3.449 ( -0.018 -2.918 -2.237) 3.677 3.871 ( 1.137 0.534 0.041) 1.257 3.883 ( -2.186 0.193 -0.100) 2.197 4.221 ( -0.016 1.747 0.350) 1.782 4.257 ( -0.019 0.887 -0.730) 1.149 4.841 ( 0.009 0.626 0.703) 0.941 4.886 ( -0.330 -0.076 -1.048) 1.101 4.952 ( -0.183 0.119 0.367) 0.427 4.964 ( 0.670 0.595 0.094) 0.901 4.964 ( -0.184 -0.756 2.178) 2.312 5.064 ( -0.254 -0.764 -0.901) 1.208 5.099 ( -0.031 -0.046 0.229) 0.236 5.146 ( 0.142 -0.549 -1.787) 1.875 5.197 ( 0.362 0.005 1.672) 1.711 5.286 ( -0.617 -0.595 -1.709) 1.912 5.558 ( -0.139 0.156 0.824) 0.850 5.596 ( 1.370 -0.623 -0.252) 1.526 9.264 ( -0.052 -0.066 0.153) 0.175 9.281 ( -0.211 -0.500 -0.327) 0.634 9.395 ( 0.632 -0.305 0.090) 0.707 9.401 ( -0.278 0.224 -0.297) 0.464 9.948 ( -0.012 -0.455 0.286) 0.537 9.962 ( -0.002 -0.194 -0.258) 0.323 10.054 ( -0.158 0.146 0.768) 0.797 10.097 ( 0.123 -0.023 -0.907) 0.915 10.338 ( -0.283 3.957 0.510) 4.000 10.371 ( 0.306 4.202 -1.942) 4.639 10.444 ( -0.059 0.366 1.665) 1.706 10.494 ( 0.553 0.206 0.838) 1.025 10.545 ( -0.048 -1.348 -1.749) 2.209 10.568 ( 0.229 -0.771 -1.392) 1.608 10.690 ( -0.381 -4.163 3.983) 5.774 10.779 ( 0.606 -1.908 -1.363) 2.422 ======================= Grid point 70 (28/70) ======================= q-point: ( 0.17 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 5.289 4.545 6.550) 9.567 0.465 ( 7.779 8.278 4.778) 12.323 0.630 ( 2.320 0.624 0.861) 2.552 0.676 ( 6.511 -0.699 4.140) 7.747 0.768 ( -1.772 1.258 -1.301) 2.533 0.830 ( 1.662 5.132 1.742) 5.669 0.866 ( 3.136 3.143 3.216) 5.482 0.912 ( 0.349 -0.567 0.976) 1.181 0.990 ( -2.505 -1.594 -2.083) 3.627 1.043 ( 0.953 1.399 -1.968) 2.596 1.129 ( -2.195 0.245 -0.177) 2.216 1.237 ( -3.795 -0.514 0.067) 3.830 1.295 ( 0.285 -3.869 0.858) 3.974 1.328 ( -3.885 -0.842 -6.769) 7.850 1.426 ( -1.038 1.856 4.132) 4.647 1.619 ( 2.508 -0.965 3.733) 4.600 1.648 ( 0.044 0.565 1.228) 1.352 1.699 ( 3.554 1.395 1.931) 4.279 1.870 ( 1.406 -2.882 -7.020) 7.718 1.883 ( -1.784 -0.357 -4.855) 5.185 1.994 ( -2.664 2.145 -1.738) 3.837 2.109 ( -5.893 -1.838 -0.047) 6.173 2.161 ( 1.439 -7.515 -1.282) 7.758 2.195 ( -1.946 -7.389 -1.064) 7.714 2.299 ( 0.052 -0.436 2.459) 2.498 2.368 ( 0.391 0.547 -2.663) 2.746 2.492 ( -0.257 -0.865 8.252) 8.301 2.641 ( -0.144 2.254 1.511) 2.718 2.650 ( -3.550 1.659 1.423) 4.169 2.713 ( -2.052 0.876 -0.351) 2.259 2.772 ( 1.699 1.913 1.919) 3.198 2.894 ( -2.117 4.115 -1.928) 5.014 2.917 ( 3.120 0.778 -0.286) 3.228 2.957 ( -1.223 0.109 -1.283) 1.775 3.066 ( -2.157 -1.025 2.610) 3.538 3.111 ( -0.547 -2.826 0.711) 2.965 3.150 ( 0.822 2.318 -0.680) 2.552 3.259 ( 2.261 2.738 -2.824) 4.537 3.363 ( -0.053 0.987 1.326) 1.654 3.431 ( -1.375 -3.506 -2.285) 4.404 3.895 ( 2.623 0.024 0.593) 2.690 3.932 ( 4.234 -0.156 -1.610) 4.533 4.211 ( -1.093 1.679 0.640) 2.103 4.265 ( 0.891 0.418 -1.661) 1.931 4.846 ( 0.391 0.563 0.824) 1.072 4.879 ( -0.240 0.186 -0.923) 0.972 4.946 ( -0.402 -0.066 0.511) 0.654 4.965 ( -0.163 -0.803 2.101) 2.255 4.980 ( 0.944 0.535 -0.111) 1.091 5.052 ( -0.672 -0.125 -0.989) 1.202 5.097 ( -0.130 -0.004 0.386) 0.407 5.147 ( 0.326 -0.611 -1.813) 1.941 5.207 ( 0.190 -0.418 2.028) 2.080 5.274 ( -0.164 -0.394 -1.976) 2.022 5.557 ( -0.157 0.117 0.827) 0.849 5.621 ( 1.057 -1.362 -1.159) 2.078 9.264 ( 0.016 -0.204 0.248) 0.321 9.280 ( 0.086 -0.425 -0.343) 0.553 9.394 ( -0.218 0.273 -0.606) 0.699 9.405 ( 0.214 0.147 0.052) 0.265 9.949 ( 0.085 -0.521 0.099) 0.537 9.964 ( 0.120 0.084 -0.149) 0.209 10.053 ( -0.086 0.148 0.737) 0.757 10.097 ( 0.092 -0.093 -0.860) 0.870 10.342 ( 0.982 2.893 0.292) 3.069 10.392 ( 1.552 2.933 -0.813) 3.416 10.446 ( -0.085 0.232 1.849) 1.865 10.506 ( 0.581 -0.471 0.203) 0.775 10.540 ( -0.053 -1.026 -1.600) 1.902 10.576 ( 0.878 -0.448 -1.496) 1.791 10.658 ( -3.032 -2.810 3.834) 5.639 10.766 ( -1.533 -1.410 -1.181) 2.394 ======================= Grid point 71 (29/70) ======================= q-point: ( 0.33 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 8.221 1.068 5.068) 9.716 0.608 ( 2.513 5.270 2.383) 6.306 0.665 ( 1.076 1.364 5.115) 5.402 0.719 ( 3.106 2.689 -4.260) 5.918 0.789 ( -3.884 -4.989 2.709) 6.878 0.838 ( 3.675 -0.799 3.784) 5.335 0.916 ( 2.415 1.484 -3.596) 4.579 0.932 ( 0.974 -0.476 -0.622) 1.250 0.995 ( 2.503 2.895 1.301) 4.042 1.063 ( -1.265 0.768 0.529) 1.571 1.079 ( -0.750 1.554 -0.639) 1.840 1.155 ( -3.330 -0.252 0.852) 3.446 1.255 ( -2.416 -1.195 -3.888) 4.731 1.297 ( -2.701 0.334 -2.345) 3.592 1.407 ( 1.238 0.659 5.400) 5.579 1.650 ( -0.038 -2.654 1.708) 3.157 1.676 ( 2.046 0.412 0.283) 2.106 1.734 ( -1.917 1.762 -0.589) 2.669 1.849 ( 1.005 -1.644 -0.164) 1.933 1.895 ( 2.026 -1.770 -8.442) 8.861 1.945 ( -2.883 4.022 -5.170) 7.157 1.986 ( -4.402 0.123 1.377) 4.614 2.144 ( -0.920 -8.717 -0.971) 8.819 2.191 ( -0.569 -8.929 0.299) 8.952 2.301 ( -0.945 -2.081 6.269) 6.673 2.395 ( 2.188 -0.769 2.096) 3.126 2.514 ( 1.516 1.197 4.313) 4.726 2.608 ( -0.720 1.300 1.026) 1.805 2.632 ( -1.193 3.028 1.119) 3.441 2.682 ( -0.550 1.256 -0.012) 1.371 2.792 ( -1.552 3.742 -1.064) 4.188 2.874 ( 0.892 0.123 -2.403) 2.566 2.920 ( -2.144 0.779 -0.159) 2.287 2.966 ( 1.710 0.253 -0.744) 1.882 3.025 ( -1.862 0.087 1.850) 2.626 3.089 ( -0.443 -0.286 -1.483) 1.574 3.184 ( 2.004 0.261 1.055) 2.280 3.300 ( 2.359 2.725 -1.403) 3.867 3.348 ( -1.331 1.644 0.054) 2.116 3.382 ( -3.389 -3.608 -1.082) 5.067 3.955 ( 3.023 -0.209 0.765) 3.125 3.996 ( 2.516 -0.149 -1.395) 2.881 4.186 ( -1.527 1.600 1.007) 2.430 4.280 ( 1.048 -0.186 -2.850) 3.042 4.856 ( 0.356 0.485 0.723) 0.941 4.875 ( 0.055 0.295 -0.569) 0.644 4.941 ( -0.317 -0.293 1.204) 1.279 4.964 ( -0.290 -0.587 1.404) 1.549 4.997 ( 0.740 0.329 -0.296) 0.862 5.038 ( -0.594 0.319 -0.933) 1.151 5.096 ( -0.099 0.002 0.484) 0.494 5.151 ( 0.436 -0.619 -1.849) 1.997 5.210 ( -0.307 -0.319 1.971) 2.020 5.274 ( 0.527 -0.350 -1.792) 1.900 5.556 ( -0.131 0.082 0.934) 0.947 5.629 ( 0.130 -1.179 -1.441) 1.867 9.265 ( 0.065 -0.131 0.257) 0.296 9.282 ( 0.228 -0.263 -0.380) 0.515 9.391 ( -0.010 0.317 -0.633) 0.708 9.404 ( -0.286 0.470 -0.185) 0.581 9.952 ( 0.251 -0.229 -0.008) 0.340 9.964 ( -0.064 0.245 -0.117) 0.279 10.054 ( -0.032 0.201 0.723) 0.751 10.097 ( 0.063 -0.121 -0.856) 0.866 10.373 ( 1.930 1.179 0.385) 2.295 10.416 ( 0.941 1.069 0.189) 1.437 10.445 ( -0.456 0.459 1.908) 2.014 10.512 ( -0.159 -1.678 0.697) 1.824 10.538 ( 0.095 0.229 -1.101) 1.128 10.594 ( 1.140 -0.089 -1.543) 1.921 10.612 ( -2.056 -0.990 2.591) 3.453 10.727 ( -2.001 -0.972 -1.498) 2.682 ======================= Grid point 72 (30/70) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -5.721 3.342 4.800) 8.182 0.610 ( -6.582 0.459 2.853) 7.189 0.707 ( 3.573 -2.943 3.419) 5.755 0.761 ( 4.260 3.591 1.182) 5.695 0.823 ( 5.413 2.554 3.787) 7.083 0.881 ( 0.159 -2.124 -2.549) 3.322 0.925 ( -2.199 -0.474 -1.671) 2.802 0.948 ( 0.558 -0.139 -5.681) 5.710 1.010 ( -2.958 -0.349 1.304) 3.252 1.025 ( -1.654 0.292 -0.937) 1.923 1.053 ( 1.479 0.618 -0.169) 1.611 1.150 ( -5.089 2.234 2.173) 5.967 1.191 ( 3.360 1.431 1.914) 4.123 1.289 ( 2.201 0.109 -2.778) 3.546 1.471 ( 2.332 -1.310 3.982) 4.797 1.596 ( -4.138 -0.211 -0.802) 4.220 1.695 ( 0.143 -0.978 -0.282) 1.027 1.713 ( 0.684 0.198 -1.378) 1.551 1.813 ( -5.138 1.279 -2.693) 5.940 1.906 ( 2.394 0.158 1.884) 3.050 1.932 ( 1.696 -0.984 -6.951) 7.222 1.984 ( 1.824 0.198 -1.782) 2.558 2.148 ( 1.351 -9.859 0.137) 9.952 2.165 ( -1.236 -5.829 -0.694) 5.999 2.307 ( 0.613 -4.579 6.747) 8.177 2.438 ( 1.156 -1.336 6.010) 6.264 2.555 ( 1.923 1.989 1.576) 3.184 2.605 ( -1.078 2.802 0.551) 3.053 2.620 ( 0.410 1.488 1.270) 1.999 2.685 ( 0.627 1.873 -0.208) 1.986 2.746 ( -1.837 4.401 -2.132) 5.225 2.844 ( -1.664 -0.768 -3.372) 3.838 2.924 ( 0.834 0.930 2.560) 2.848 2.975 ( -0.644 0.450 -1.316) 1.532 3.012 ( 0.213 0.306 1.054) 1.118 3.096 ( 1.358 0.968 -3.578) 3.948 3.222 ( 1.295 -0.989 1.631) 2.305 3.296 ( -3.687 -2.806 0.712) 4.688 3.322 ( -1.371 1.988 -1.615) 2.905 3.348 ( 1.729 2.029 -0.621) 2.737 3.987 ( -0.526 0.136 0.593) 0.804 4.024 ( 0.962 -0.463 -0.884) 1.386 4.170 ( -0.030 1.644 1.357) 2.132 4.290 ( 0.603 -0.590 -3.406) 3.509 4.859 ( -0.178 0.479 0.436) 0.672 4.878 ( 0.335 0.266 -0.256) 0.499 4.940 ( -0.069 -0.405 1.968) 2.010 4.961 ( -0.169 -0.435 0.722) 0.860 5.000 ( -0.511 0.263 -0.478) 0.747 5.033 ( 0.417 0.348 -0.806) 0.972 5.096 ( -0.058 0.026 0.490) 0.494 5.155 ( 0.296 -0.544 -1.940) 2.037 5.205 ( -0.497 -0.143 1.776) 1.850 5.284 ( 0.774 -0.508 -1.412) 1.688 5.555 ( -0.117 0.058 1.126) 1.134 5.624 ( -0.385 -0.941 -1.609) 1.903 9.267 ( 0.040 -0.028 0.242) 0.247 9.286 ( 0.203 -0.170 -0.363) 0.449 9.390 ( -0.070 0.294 -0.498) 0.583 9.398 ( -0.092 0.536 -0.444) 0.702 9.956 ( 0.025 0.188 0.060) 0.199 9.962 ( -0.009 0.058 -0.197) 0.205 10.055 ( -0.012 0.263 0.740) 0.785 10.097 ( 0.074 -0.124 -0.895) 0.906 10.404 ( 0.783 -0.020 0.450) 0.903 10.420 ( -0.777 -0.391 0.615) 1.065 10.442 ( 0.134 1.061 1.599) 1.923 10.502 ( -1.060 -0.322 2.002) 2.288 10.541 ( 0.383 -0.008 -0.986) 1.058 10.591 ( -0.285 -0.319 1.621) 1.676 10.609 ( 0.125 -0.156 -1.810) 1.821 10.701 ( -0.015 -0.883 -1.744) 1.955 ======================= Grid point 73 (31/70) ======================= q-point: (-0.33 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -5.207 2.770 8.857) 10.641 0.454 ( -7.592 2.913 5.998) 10.104 0.714 ( -3.308 0.460 -0.679) 3.409 0.745 ( -6.965 2.513 -1.306) 7.519 0.873 ( -4.652 0.793 5.082) 6.935 0.901 ( 0.951 2.642 -1.111) 3.020 0.912 ( 0.307 -0.771 0.888) 1.215 0.936 ( -1.782 1.422 -3.059) 3.815 0.962 ( 2.867 0.647 -2.814) 4.069 1.015 ( -0.630 -0.174 -0.173) 0.676 1.027 ( 4.023 0.937 0.258) 4.138 1.202 ( 4.958 -1.215 -1.420) 5.298 1.227 ( 0.665 -0.599 1.283) 1.564 1.339 ( 2.631 -0.461 -0.606) 2.739 1.453 ( -2.433 -2.048 3.479) 4.714 1.566 ( -1.299 3.050 0.663) 3.381 1.669 ( -2.460 1.249 0.115) 2.761 1.732 ( 0.415 -1.514 -1.269) 2.019 1.776 ( 2.764 -3.037 -1.736) 4.459 1.915 ( -0.007 -0.718 -2.643) 2.739 1.977 ( 2.559 -0.832 -1.718) 3.192 2.009 ( 1.285 -0.685 -2.954) 3.293 2.152 ( 0.593 -7.489 -1.446) 7.650 2.199 ( 2.898 -7.653 -0.215) 8.187 2.345 ( 1.799 -4.300 3.578) 5.877 2.459 ( 0.081 -0.519 6.314) 6.336 2.580 ( -1.543 2.902 0.703) 3.361 2.582 ( -0.167 3.581 2.682) 4.477 2.613 ( -0.613 0.444 -1.586) 1.757 2.699 ( 1.305 3.391 1.973) 4.135 2.742 ( 1.432 3.405 1.544) 4.003 2.858 ( 3.689 -1.313 -4.408) 5.896 2.929 ( -1.526 -0.082 -0.428) 1.587 2.947 ( -0.921 0.938 0.179) 1.327 3.029 ( 0.983 -0.230 1.355) 1.690 3.111 ( 0.738 2.418 -2.140) 3.312 3.174 ( -5.278 -0.069 1.466) 5.478 3.282 ( -0.064 -0.770 -0.950) 1.224 3.309 ( 1.146 -0.102 -1.032) 1.546 3.380 ( 1.831 1.528 -0.391) 2.416 3.945 ( -3.244 0.148 0.398) 3.272 4.024 ( -1.039 -0.994 -1.091) 1.805 4.187 ( 1.230 1.638 1.062) 2.307 4.288 ( -0.264 -0.673 -3.274) 3.353 4.852 ( -0.534 0.516 0.389) 0.839 4.886 ( 0.434 0.129 -0.210) 0.499 4.943 ( 0.024 -0.213 1.687) 1.700 4.962 ( 0.025 -0.577 0.913) 1.081 4.982 ( -1.050 0.482 -0.499) 1.259 5.046 ( 0.890 -0.065 -0.612) 1.082 5.096 ( -0.001 0.035 0.426) 0.427 5.154 ( -0.042 -0.485 -1.958) 2.018 5.199 ( -0.414 0.040 1.432) 1.491 5.295 ( 0.524 -0.642 -1.181) 1.443 5.555 ( -0.084 0.049 1.232) 1.236 5.609 ( -0.828 -0.743 -1.667) 2.004 9.267 ( -0.057 0.022 0.164) 0.175 9.288 ( 0.076 -0.174 -0.391) 0.435 9.386 ( -0.122 0.110 -0.531) 0.556 9.400 ( 0.256 0.554 -0.279) 0.671 9.953 ( -0.244 0.013 -0.034) 0.247 9.963 ( 0.093 0.056 -0.114) 0.157 10.056 ( -0.029 0.277 0.743) 0.793 10.097 ( 0.084 -0.088 -0.953) 0.960 10.379 ( -2.209 0.946 0.332) 2.425 10.421 ( -0.185 -0.446 0.230) 0.535 10.446 ( -0.222 0.757 0.928) 1.218 10.486 ( -0.783 1.381 2.406) 2.883 10.545 ( 0.284 -0.702 -1.537) 1.713 10.593 ( -0.954 -0.537 -1.595) 1.935 10.607 ( 1.429 -0.355 2.893) 3.246 10.721 ( 1.973 -1.305 -1.622) 2.868 ======================= Grid point 74 (32/70) ======================= q-point: (-0.17 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -5.850 4.727 5.992) 9.617 0.425 ( -1.332 4.121 14.558) 15.188 0.581 ( -7.863 7.557 5.296) 12.124 0.667 ( -2.001 3.444 -4.834) 6.264 0.727 ( -5.555 1.670 -0.774) 5.852 0.865 ( -3.249 1.966 -0.232) 3.804 0.923 ( -0.112 -0.488 -1.130) 1.236 0.930 ( -0.935 1.941 3.556) 4.157 0.983 ( -0.758 0.565 -1.330) 1.631 1.057 ( 4.312 -2.935 -2.792) 5.916 1.115 ( 2.960 -0.024 -1.338) 3.249 1.248 ( 1.253 -1.062 -1.499) 2.223 1.272 ( 3.135 -1.530 3.242) 4.762 1.373 ( 1.590 -1.659 -2.070) 3.093 1.448 ( 0.065 -0.401 2.010) 2.050 1.529 ( -1.550 5.446 2.270) 6.101 1.637 ( -1.009 -1.796 0.420) 2.103 1.703 ( -2.126 -1.456 0.692) 2.668 1.857 ( 3.171 -2.967 -1.496) 4.594 1.914 ( 0.546 -0.935 -4.414) 4.545 2.007 ( 1.839 -1.921 -3.569) 4.450 2.043 ( 2.570 -1.472 0.318) 2.979 2.168 ( 1.085 -7.946 -0.498) 8.036 2.239 ( 1.229 -5.593 -3.058) 6.492 2.360 ( -0.546 -2.086 -1.427) 2.586 2.459 ( -1.505 0.577 0.721) 1.766 2.521 ( -3.455 0.441 4.439) 5.642 2.600 ( 1.312 2.840 0.598) 3.185 2.628 ( 1.991 0.216 2.390) 3.118 2.747 ( 2.622 3.084 1.492) 4.314 2.801 ( 2.995 1.520 3.490) 4.843 2.880 ( -0.779 -1.628 -0.303) 1.830 2.921 ( 1.183 0.859 -1.127) 1.846 2.937 ( 0.211 0.599 -0.626) 0.892 3.046 ( 0.536 -0.941 0.713) 1.297 3.079 ( -3.997 4.435 1.365) 6.125 3.131 ( 1.264 2.214 -0.668) 2.635 3.270 ( -0.512 0.271 -2.656) 2.718 3.323 ( 0.079 0.584 0.677) 0.897 3.425 ( 2.649 -1.342 -1.259) 3.226 3.887 ( -2.479 0.212 0.387) 2.518 3.969 ( -4.570 -1.657 -2.087) 5.290 4.211 ( 0.951 1.721 0.584) 2.051 4.270 ( -0.901 0.105 -2.034) 2.227 4.843 ( -0.395 0.594 0.541) 0.896 4.891 ( 0.099 -0.117 -0.626) 0.645 4.948 ( 0.271 0.064 0.889) 0.931 4.962 ( -0.333 -0.175 0.991) 1.060 4.965 ( -0.395 0.092 0.467) 0.618 5.061 ( 0.702 -0.645 -0.574) 1.113 5.097 ( 0.084 0.004 0.340) 0.351 5.148 ( -0.073 -0.496 -1.819) 1.887 5.194 ( -0.301 0.267 1.124) 1.194 5.297 ( -0.131 -0.676 -1.316) 1.485 5.557 ( 0.034 0.103 1.101) 1.106 5.590 ( -0.651 -0.318 -0.885) 1.144 9.265 ( -0.122 0.046 0.070) 0.148 9.287 ( -0.163 -0.322 -0.455) 0.580 9.386 ( 0.244 -0.178 -0.272) 0.407 9.404 ( 0.088 0.357 -0.088) 0.378 9.949 ( -0.142 -0.333 0.032) 0.364 9.964 ( -0.049 -0.042 -0.133) 0.147 10.056 ( -0.115 0.205 0.739) 0.776 10.097 ( 0.093 -0.016 -0.967) 0.972 10.345 ( -1.077 3.109 0.261) 3.301 10.398 ( -1.928 2.022 -1.486) 3.164 10.443 ( -0.156 0.757 1.403) 1.602 10.485 ( 0.081 0.688 1.923) 2.044 10.547 ( 0.185 -1.077 -1.733) 2.048 10.575 ( -0.592 -0.755 -1.530) 1.806 10.655 ( 2.506 -1.966 4.539) 5.545 10.756 ( 1.832 -1.752 -1.396) 2.894 ======================= Grid point 75 (33/70) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 1.048 6.098 3.103) 6.922 0.518 ( 1.428 3.393 11.353) 11.935 0.606 ( 0.399 1.691 -1.592) 2.356 0.673 ( -2.839 2.768 2.190) 4.529 0.777 ( -0.494 -0.628 -0.102) 0.806 0.896 ( 1.134 7.607 6.080) 9.804 0.934 ( -2.747 1.720 0.448) 3.271 0.963 ( 0.885 -0.324 -1.736) 1.975 0.988 ( -0.183 4.488 -2.731) 5.257 1.054 ( 2.902 -1.658 -3.563) 4.886 1.091 ( -0.617 -2.701 -2.096) 3.474 1.240 ( -0.330 -0.491 -1.963) 2.050 1.308 ( 0.008 -0.170 1.038) 1.052 1.375 ( -0.963 -0.536 -1.473) 1.840 1.423 ( 0.446 1.169 4.939) 5.095 1.547 ( -2.638 -4.215 0.493) 4.996 1.585 ( 2.607 -4.460 0.003) 5.166 1.707 ( 1.810 2.173 1.707) 3.303 1.781 ( 1.022 -3.025 -3.267) 4.568 1.928 ( -2.663 -2.717 -2.807) 4.728 1.953 ( 1.933 -1.732 2.257) 3.440 2.032 ( 1.314 -5.665 0.742) 5.863 2.050 ( 0.654 -3.091 0.116) 3.161 2.171 ( -0.491 -1.806 -5.933) 6.221 2.338 ( 0.024 0.199 0.190) 0.277 2.451 ( -4.379 0.898 -1.589) 4.744 2.452 ( -1.201 1.278 3.244) 3.688 2.629 ( 0.875 0.422 -1.108) 1.474 2.685 ( 1.198 0.069 -0.408) 1.267 2.770 ( -2.897 -0.091 -1.873) 3.451 2.830 ( 0.778 0.792 1.238) 1.663 2.859 ( -1.512 -0.295 1.025) 1.850 2.943 ( 2.498 1.828 4.294) 5.293 3.026 ( 0.084 -1.630 1.273) 2.070 3.042 ( 2.649 0.476 0.565) 2.750 3.126 ( -3.248 4.883 0.814) 5.921 3.165 ( 0.694 -0.046 -3.008) 3.087 3.283 ( 1.797 1.330 -3.129) 3.846 3.364 ( 0.798 0.199 1.282) 1.523 3.392 ( -0.983 -1.178 0.110) 1.538 3.878 ( 1.023 0.230 -0.045) 1.050 3.886 ( -1.382 0.053 -0.123) 1.389 4.259 ( 0.010 1.931 0.071) 1.933 4.279 ( 0.025 1.244 -0.549) 1.360 4.858 ( -0.011 1.065 0.465) 1.162 4.883 ( -0.078 -0.216 -0.427) 0.485 4.944 ( -0.216 -1.120 2.137) 2.422 4.956 ( -0.304 0.206 0.367) 0.520 4.979 ( 0.542 0.903 -0.238) 1.080 5.047 ( 0.087 -0.927 -1.276) 1.579 5.097 ( -0.022 -0.062 0.348) 0.354 5.130 ( 0.023 -0.916 -1.252) 1.552 5.202 ( -0.010 0.437 1.069) 1.155 5.269 ( -0.348 -1.033 -1.305) 1.701 5.561 ( -0.088 0.096 0.536) 0.552 5.584 ( 0.550 -0.535 -0.140) 0.780 9.265 ( 0.013 0.098 -0.172) 0.198 9.275 ( -0.272 -0.030 -0.232) 0.359 9.391 ( 0.508 -0.083 0.298) 0.594 9.407 ( -0.156 0.243 -0.506) 0.582 9.944 ( -0.132 0.094 0.395) 0.427 9.959 ( 0.084 -0.061 -0.219) 0.242 10.058 ( -0.130 0.260 0.721) 0.777 10.095 ( 0.066 -0.233 -0.703) 0.743 10.390 ( -0.269 -0.544 0.395) 0.725 10.403 ( 0.274 -0.316 0.407) 0.584 10.468 ( -0.069 1.970 1.165) 2.290 10.509 ( -0.669 1.311 -0.825) 1.687 10.529 ( 0.389 0.283 -1.306) 1.392 10.554 ( 0.549 -0.183 -1.251) 1.379 10.637 ( -0.509 -1.267 3.210) 3.488 10.731 ( 0.554 -2.588 -1.320) 2.958 ======================= Grid point 76 (34/70) ======================= q-point: ( 0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 2.808 5.171 3.818) 7.014 0.597 ( 4.257 2.148 10.042) 11.117 0.663 ( 3.393 4.651 1.877) 6.055 0.672 ( 4.213 0.032 -4.421) 6.107 0.777 ( -0.075 0.003 3.035) 3.036 0.854 ( -4.354 0.336 0.714) 4.425 0.931 ( -0.211 2.035 -1.473) 2.521 0.965 ( 0.422 3.286 -2.241) 4.000 1.004 ( 1.890 3.106 1.670) 4.001 1.077 ( 1.118 1.033 -0.905) 1.771 1.109 ( 1.484 -1.597 -1.659) 2.739 1.228 ( -0.283 -1.582 -0.489) 1.680 1.249 ( -5.791 1.537 1.353) 6.142 1.304 ( -3.419 -1.465 -4.282) 5.672 1.467 ( -0.051 2.058 5.274) 5.661 1.532 ( 1.705 -5.846 1.396) 6.247 1.640 ( 2.379 -3.276 -0.007) 4.049 1.752 ( 2.805 -0.582 -1.406) 3.191 1.792 ( 0.654 -0.484 -1.088) 1.358 1.858 ( -3.513 -1.887 -3.511) 5.313 1.981 ( 0.389 -5.912 2.881) 6.588 2.018 ( -2.648 -6.311 0.563) 6.867 2.049 ( -1.232 -1.913 0.717) 2.386 2.112 ( -4.022 0.187 -7.494) 8.507 2.323 ( -1.220 2.391 2.562) 3.711 2.402 ( -0.372 2.313 -4.169) 4.782 2.464 ( 1.524 -1.335 5.422) 5.788 2.631 ( -0.619 -0.362 -2.357) 2.463 2.697 ( -0.524 0.043 2.074) 2.139 2.723 ( -1.260 1.437 -0.171) 1.919 2.810 ( 0.155 1.141 0.366) 1.208 2.897 ( 2.593 -1.587 1.475) 3.379 2.974 ( -2.164 1.896 0.392) 2.904 2.986 ( -1.334 2.307 0.756) 2.771 3.071 ( -2.403 2.308 1.033) 3.488 3.076 ( 0.520 -0.467 0.319) 0.768 3.171 ( 0.601 -0.161 -2.416) 2.495 3.321 ( 2.328 1.467 -1.877) 3.331 3.347 ( -2.085 -2.787 0.635) 3.538 3.394 ( 0.459 1.819 0.332) 1.905 3.898 ( 2.354 0.302 0.129) 2.377 3.928 ( 3.760 -0.220 -0.547) 3.806 4.248 ( -1.113 1.903 0.151) 2.210 4.279 ( 0.111 0.959 -0.834) 1.276 4.861 ( 0.274 0.913 0.548) 1.099 4.882 ( -0.018 0.094 -0.416) 0.427 4.944 ( -0.312 -0.887 1.912) 2.131 4.950 ( -0.305 0.007 0.477) 0.566 4.991 ( 0.690 0.554 -0.258) 0.922 5.045 ( -0.068 -0.614 -1.309) 1.447 5.096 ( -0.086 -0.046 0.416) 0.427 5.131 ( 0.237 -0.968 -1.284) 1.626 5.205 ( 0.008 0.176 1.397) 1.408 5.262 ( -0.005 -0.728 -1.470) 1.640 5.559 ( -0.139 0.129 0.556) 0.587 5.597 ( 0.650 -1.067 -0.431) 1.322 9.265 ( 0.070 0.288 -0.227) 0.373 9.273 ( 0.132 -0.156 -0.107) 0.231 9.398 ( 0.022 0.033 -0.257) 0.260 9.406 ( 0.218 0.008 -0.103) 0.242 9.943 ( 0.093 0.019 0.211) 0.231 9.964 ( 0.307 -0.011 -0.067) 0.315 10.057 ( -0.055 0.281 0.666) 0.725 10.094 ( 0.019 -0.271 -0.668) 0.721 10.391 ( 0.250 0.488 0.527) 0.761 10.409 ( 0.286 -1.035 0.126) 1.081 10.469 ( -0.059 1.586 1.301) 2.052 10.494 ( -0.607 0.606 -0.258) 0.896 10.537 ( 0.546 0.214 -1.509) 1.619 10.569 ( 1.172 0.060 -1.220) 1.693 10.621 ( -1.517 -0.811 2.861) 3.338 10.725 ( -0.879 -2.372 -1.172) 2.788 ======================= Grid point 77 (35/70) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 4.396 1.848 3.569) 5.957 0.668 ( 0.079 1.076 5.598) 5.701 0.723 ( 3.380 1.863 -1.071) 4.006 0.746 ( -3.476 1.947 -0.118) 3.986 0.767 ( 3.437 3.778 3.231) 6.043 0.832 ( 4.401 0.208 1.887) 4.793 0.930 ( 1.244 0.288 -2.707) 2.993 0.972 ( 0.446 3.670 -2.874) 4.683 1.032 ( 0.235 0.458 -0.082) 0.522 1.069 ( -3.257 0.406 1.149) 3.478 1.104 ( -2.925 0.988 -0.467) 3.123 1.163 ( -1.059 0.425 3.088) 3.292 1.214 ( -1.069 -2.360 -3.565) 4.407 1.277 ( 1.634 -1.931 -4.438) 5.109 1.442 ( -2.586 2.178 5.993) 6.881 1.585 ( 3.014 -4.140 1.828) 5.437 1.665 ( -0.566 -2.600 0.261) 2.674 1.747 ( -3.682 -0.985 -1.522) 4.104 1.811 ( 2.619 -5.444 -3.963) 7.225 1.838 ( 1.610 0.245 -0.612) 1.740 1.962 ( -2.818 -7.054 0.645) 7.623 1.982 ( -1.163 -3.829 -0.308) 4.014 2.003 ( -2.219 -5.315 0.797) 5.815 2.030 ( -2.408 3.142 -6.650) 7.739 2.302 ( -1.893 1.611 4.005) 4.714 2.410 ( 1.511 2.167 0.056) 2.642 2.518 ( 3.099 -0.718 2.183) 3.858 2.608 ( -0.860 -0.230 -1.137) 1.444 2.683 ( -0.827 1.113 3.462) 3.729 2.722 ( 0.351 3.196 0.928) 3.347 2.838 ( 1.416 -1.192 -0.740) 1.994 2.901 ( -3.173 3.456 -1.129) 4.825 2.931 ( -0.128 -0.508 2.225) 2.285 2.978 ( -0.096 2.082 -1.947) 2.852 3.038 ( -1.176 1.035 0.970) 1.843 3.080 ( 0.350 -0.110 -1.195) 1.250 3.183 ( 0.927 -0.622 -0.468) 1.210 3.291 ( -3.335 -4.854 0.794) 5.942 3.366 ( 2.022 3.234 -1.030) 3.950 3.395 ( -0.411 2.606 -0.200) 2.646 3.956 ( 3.150 0.306 0.266) 3.175 3.993 ( 2.583 -0.180 -0.563) 2.650 4.222 ( -1.461 1.899 0.424) 2.433 4.280 ( 0.189 0.197 -1.552) 1.576 4.868 ( 0.306 0.726 0.550) 0.961 4.881 ( 0.055 0.268 -0.148) 0.311 4.938 ( -0.422 0.073 1.146) 1.224 4.949 ( -0.080 -0.857 1.004) 1.323 5.002 ( 0.408 0.156 -0.377) 0.577 5.040 ( -0.136 -0.147 -1.260) 1.276 5.096 ( -0.087 -0.047 0.511) 0.520 5.134 ( 0.395 -1.020 -1.277) 1.681 5.206 ( -0.168 0.071 1.459) 1.471 5.264 ( 0.386 -0.672 -1.399) 1.599 5.558 ( -0.117 0.144 0.651) 0.677 5.604 ( 0.218 -1.246 -0.801) 1.498 9.267 ( 0.113 0.278 -0.087) 0.313 9.277 ( 0.294 -0.179 -0.181) 0.389 9.396 ( -0.023 0.159 -0.458) 0.486 9.407 ( -0.106 -0.086 -0.062) 0.150 9.949 ( 0.478 -0.033 0.095) 0.489 9.967 ( -0.066 -0.003 0.010) 0.067 10.058 ( 0.023 0.277 0.593) 0.655 10.093 ( -0.000 -0.323 -0.646) 0.723 10.400 ( 0.517 0.741 0.371) 0.977 10.412 ( 0.037 -1.043 -0.048) 1.045 10.470 ( -0.107 1.459 1.367) 2.002 10.489 ( 0.043 0.133 1.019) 1.029 10.543 ( 0.407 0.108 -1.431) 1.492 10.589 ( 0.978 -0.551 -1.295) 1.714 10.598 ( -1.181 -0.025 2.242) 2.534 10.699 ( -1.466 -1.766 -1.326) 2.650 ======================= Grid point 78 (36/70) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -2.727 1.142 2.303) 3.748 0.640 ( -5.260 2.543 4.189) 7.189 0.693 ( 2.051 3.146 2.150) 4.328 0.825 ( 5.526 1.959 -0.029) 5.863 0.838 ( 2.409 0.054 5.233) 5.761 0.892 ( 0.318 1.439 -2.405) 2.821 0.938 ( -0.497 -0.465 -1.644) 1.779 0.962 ( -5.045 4.026 0.658) 6.488 1.004 ( 1.502 -0.153 -1.821) 2.365 1.020 ( -0.881 0.082 -1.000) 1.335 1.065 ( 0.964 0.664 -1.413) 1.835 1.177 ( -0.754 -0.453 -0.380) 0.958 1.197 ( 0.785 -0.511 -1.301) 1.603 1.288 ( 0.252 -0.599 -1.169) 1.338 1.434 ( 0.201 -1.711 4.238) 4.575 1.605 ( -2.321 0.906 -0.282) 2.508 1.642 ( 0.550 -3.637 1.984) 4.179 1.700 ( -1.302 -3.413 0.347) 3.669 1.807 ( -2.197 -2.968 -4.182) 5.579 1.884 ( 2.699 -3.295 -0.945) 4.363 1.923 ( -0.849 -7.477 1.027) 7.595 1.955 ( -0.127 -1.563 -4.496) 4.761 1.972 ( -1.055 -0.202 -2.239) 2.483 2.034 ( 2.745 -3.716 -0.776) 4.685 2.279 ( -0.786 0.981 3.406) 3.631 2.451 ( 2.076 2.144 3.377) 4.507 2.578 ( 2.724 -0.402 0.840) 2.879 2.606 ( 0.722 -0.258 -0.862) 1.153 2.676 ( -1.110 2.438 3.702) 4.569 2.736 ( 1.240 3.331 1.340) 3.799 2.819 ( -1.724 -0.634 -1.950) 2.679 2.849 ( -2.871 4.195 -0.392) 5.099 2.936 ( 0.535 0.186 1.509) 1.611 2.981 ( 0.315 0.349 -1.583) 1.652 3.027 ( -0.301 0.945 0.264) 1.026 3.098 ( 2.116 -0.505 -3.006) 3.711 3.199 ( 0.410 -1.323 1.008) 1.713 3.228 ( -2.849 -3.282 1.140) 4.493 3.380 ( -0.979 3.220 -0.716) 3.441 3.396 ( 1.240 2.459 -0.586) 2.815 3.993 ( -0.300 0.466 0.441) 0.709 4.017 ( 0.584 -0.148 -0.534) 0.805 4.207 ( -0.004 1.892 0.731) 2.028 4.281 ( 0.215 -0.362 -2.068) 2.110 4.872 ( -0.092 0.777 0.376) 0.868 4.883 ( 0.132 0.148 0.184) 0.270 4.936 ( 0.007 0.097 1.278) 1.281 4.948 ( -0.143 -0.815 0.744) 1.113 5.003 ( -0.301 -0.004 -0.495) 0.579 5.038 ( 0.180 0.054 -1.162) 1.177 5.095 ( -0.071 -0.082 0.518) 0.529 5.139 ( 0.310 -1.027 -1.294) 1.681 5.204 ( -0.267 0.179 1.368) 1.405 5.270 ( 0.498 -0.872 -1.211) 1.573 5.557 ( -0.096 0.145 0.768) 0.788 5.602 ( -0.218 -1.121 -1.002) 1.520 9.269 ( 0.052 0.216 -0.003) 0.222 9.282 ( 0.217 -0.186 -0.229) 0.367 9.395 ( -0.163 0.120 -0.299) 0.361 9.404 ( -0.025 0.039 -0.291) 0.295 9.958 ( 0.259 0.014 0.122) 0.286 9.962 ( -0.252 -0.065 -0.020) 0.261 10.060 ( 0.007 0.255 0.574) 0.628 10.092 ( 0.065 -0.340 -0.664) 0.749 10.406 ( -0.085 0.109 0.175) 0.223 10.410 ( -0.096 -0.458 -0.007) 0.467 10.470 ( -0.207 1.572 1.380) 2.102 10.498 ( 0.448 0.102 1.868) 1.923 10.546 ( 0.129 0.335 -1.106) 1.162 10.583 ( -0.464 -0.491 1.296) 1.462 10.600 ( 0.041 -0.505 -1.130) 1.238 10.678 ( -0.122 -1.371 -1.500) 2.036 ======================= Grid point 79 (37/70) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -4.211 5.032 3.733) 7.550 0.545 ( -5.141 4.155 6.862) 9.528 0.720 ( 0.535 1.074 -0.709) 1.394 0.797 ( -7.445 1.104 -0.823) 7.571 0.869 ( 0.649 -1.153 2.565) 2.886 0.900 ( -1.638 1.851 3.464) 4.255 0.923 ( 2.060 1.095 -1.808) 2.952 0.955 ( 1.060 -1.048 -2.047) 2.532 1.002 ( 0.428 1.683 -3.546) 3.948 1.018 ( -0.827 1.813 2.254) 3.008 1.076 ( 0.720 2.769 -0.812) 2.974 1.187 ( 1.955 -1.898 -1.486) 3.104 1.227 ( 3.050 1.455 -2.669) 4.306 1.298 ( 0.585 -2.887 -0.823) 3.059 1.430 ( -0.402 -0.344 6.283) 6.305 1.584 ( -2.653 -1.765 0.658) 3.253 1.644 ( 2.374 -4.784 0.416) 5.357 1.696 ( -0.021 -2.327 -0.633) 2.411 1.743 ( -3.269 1.338 -2.114) 4.117 1.910 ( 0.176 -5.251 -0.703) 5.301 1.933 ( 1.181 -2.219 -3.556) 4.355 1.962 ( 2.672 -5.527 1.065) 6.231 1.981 ( 1.107 -2.259 -1.006) 2.709 2.094 ( 3.734 -2.770 -3.569) 5.861 2.290 ( 1.250 -0.956 1.781) 2.377 2.488 ( 0.821 2.958 3.971) 5.020 2.603 ( -0.790 -1.380 0.268) 1.613 2.620 ( -0.674 2.012 2.070) 2.965 2.654 ( 0.167 1.706 -1.244) 2.118 2.774 ( 1.093 4.308 1.798) 4.794 2.801 ( 0.908 1.755 0.480) 2.033 2.824 ( 1.016 -0.950 -0.209) 1.406 2.934 ( -0.541 0.537 -0.545) 0.937 2.969 ( -1.442 1.085 -0.307) 1.831 3.026 ( -0.086 -0.077 0.299) 0.320 3.136 ( 1.871 -0.590 -2.626) 3.278 3.175 ( -1.275 0.549 0.811) 1.608 3.232 ( 1.612 -2.397 0.988) 3.053 3.358 ( -1.074 3.221 -0.998) 3.539 3.410 ( 0.339 1.407 -0.125) 1.452 3.952 ( -3.235 0.538 0.185) 3.284 4.007 ( -2.009 -0.747 -0.488) 2.198 4.223 ( 1.317 1.859 0.532) 2.340 4.281 ( 0.163 -0.034 -1.735) 1.743 4.867 ( -0.417 0.949 0.300) 1.079 4.886 ( 0.071 -0.151 0.189) 0.253 4.941 ( 0.167 -0.277 1.514) 1.548 4.948 ( 0.061 -0.409 0.595) 0.725 4.991 ( -0.693 0.383 -0.497) 0.935 5.042 ( 0.372 -0.336 -1.090) 1.200 5.095 ( -0.016 -0.099 0.436) 0.447 5.139 ( -0.047 -0.946 -1.343) 1.643 5.203 ( -0.173 0.335 1.168) 1.228 5.276 ( 0.322 -1.158 -1.056) 1.600 5.557 ( -0.037 0.141 0.803) 0.816 5.593 ( -0.516 -0.812 -0.932) 1.339 9.268 ( -0.085 0.117 -0.003) 0.145 9.284 ( 0.030 -0.169 -0.303) 0.348 9.389 ( -0.317 0.089 -0.326) 0.463 9.407 ( 0.225 0.098 -0.194) 0.313 9.952 ( -0.493 -0.027 0.082) 0.500 9.965 ( 0.093 -0.013 0.009) 0.095 10.060 ( -0.081 0.199 0.608) 0.645 10.093 ( 0.133 -0.287 -0.689) 0.758 10.400 ( -0.350 0.495 0.338) 0.694 10.407 ( -0.358 -0.907 0.038) 0.976 10.468 ( -0.210 1.842 1.286) 2.256 10.508 ( 0.271 0.531 1.157) 1.301 10.543 ( -0.238 0.645 -0.858) 1.100 10.573 ( -0.908 -1.284 -1.019) 1.874 10.603 ( 0.751 -0.034 1.610) 1.777 10.689 ( 1.329 -1.742 -1.548) 2.683 ======================= Grid point 80 (38/70) ======================= q-point: (-0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -3.208 6.515 3.012) 7.862 0.500 ( -1.587 3.570 11.162) 11.826 0.663 ( -5.541 1.942 -2.254) 6.290 0.723 ( -0.974 -0.914 0.762) 1.538 0.813 ( -3.915 5.349 0.129) 6.629 0.884 ( -1.608 3.889 6.956) 8.130 0.949 ( 0.323 0.494 -1.768) 1.864 0.974 ( 1.237 -1.898 -2.586) 3.438 0.997 ( 0.628 0.754 0.984) 1.390 1.003 ( -0.142 2.371 -3.076) 3.886 1.104 ( 0.678 -0.841 -3.001) 3.190 1.229 ( 2.234 -1.119 -1.118) 2.738 1.281 ( 2.216 2.242 0.702) 3.230 1.317 ( 2.793 -3.094 -1.982) 4.616 1.457 ( 0.034 1.469 5.755) 5.940 1.533 ( -0.980 -6.410 0.832) 6.537 1.640 ( -4.661 -0.443 -0.948) 4.777 1.678 ( 0.904 1.651 1.449) 2.375 1.753 ( 2.919 -5.523 -3.147) 6.995 1.909 ( 1.141 -0.680 0.406) 1.389 1.964 ( 0.335 -2.344 -0.974) 2.560 1.996 ( 1.573 -5.507 -1.409) 5.898 2.016 ( 2.598 -3.860 0.374) 4.668 2.154 ( 2.991 -2.317 -4.786) 6.101 2.320 ( 1.400 -2.104 1.122) 2.765 2.483 ( -1.745 3.186 1.172) 3.817 2.546 ( -4.822 0.555 1.445) 5.064 2.613 ( 0.576 0.631 1.077) 1.375 2.668 ( 0.796 0.947 -2.829) 3.088 2.792 ( 1.618 1.842 1.109) 2.691 2.825 ( -1.669 -1.639 -2.485) 3.413 2.861 ( 3.109 2.501 5.034) 6.424 2.926 ( -1.955 -0.307 0.394) 2.018 2.962 ( 3.076 1.238 0.361) 3.335 3.026 ( 0.299 -0.423 0.768) 0.926 3.152 ( 0.659 0.258 -2.445) 2.545 3.168 ( -0.676 3.543 1.829) 4.044 3.262 ( 1.329 -1.506 -2.231) 3.002 3.346 ( 0.301 2.118 -0.162) 2.145 3.408 ( -0.550 -0.160 0.352) 0.672 3.894 ( -2.421 0.444 0.101) 2.463 3.944 ( -3.937 -0.912 -0.594) 4.084 4.248 ( 1.047 1.917 0.209) 2.194 4.280 ( 0.044 0.796 -0.955) 1.244 4.860 ( -0.313 1.067 0.370) 1.172 4.886 ( -0.086 -0.362 -0.154) 0.403 4.944 ( -0.159 -0.985 1.933) 2.175 4.954 ( 0.381 0.237 0.483) 0.659 4.979 ( -0.423 0.814 -0.406) 1.003 5.046 ( 0.270 -0.803 -1.147) 1.426 5.096 ( 0.031 -0.072 0.360) 0.369 5.134 ( -0.166 -0.884 -1.288) 1.571 5.202 ( -0.107 0.468 0.926) 1.043 5.276 ( -0.121 -1.271 -1.085) 1.675 5.559 ( 0.085 0.120 0.694) 0.710 5.583 ( -0.314 -0.423 -0.487) 0.717 9.266 ( -0.111 0.045 -0.062) 0.135 9.281 ( -0.261 -0.107 -0.368) 0.464 9.385 ( 0.037 0.058 -0.048) 0.084 9.409 ( 0.024 0.142 -0.253) 0.291 9.945 ( -0.188 0.065 0.199) 0.282 9.963 ( -0.255 -0.059 -0.081) 0.274 10.059 ( -0.138 0.201 0.682) 0.724 10.094 ( 0.114 -0.233 -0.706) 0.752 10.397 ( -0.266 -0.789 0.112) 0.840 10.399 ( -0.231 0.160 0.563) 0.629 10.467 ( -0.093 2.103 1.152) 2.400 10.513 ( 0.211 1.335 -0.182) 1.364 10.534 ( -0.491 0.379 -1.054) 1.223 10.555 ( -0.491 -0.867 -1.383) 1.704 10.626 ( 0.896 -0.732 3.082) 3.292 10.714 ( 1.396 -2.270 -1.497) 3.057 ======================= Grid point 81 (39/70) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -0.314 0.434 8.440) 8.457 0.580 ( -0.485 -2.769 3.805) 4.730 0.624 ( 2.472 4.255 0.447) 4.941 0.688 ( -1.672 1.474 3.154) 3.862 0.814 ( -0.563 3.350 -0.574) 3.445 0.920 ( -0.708 -1.254 -2.131) 2.573 0.958 ( 1.029 -1.337 -0.548) 1.774 0.989 ( 0.474 -1.041 -4.307) 4.456 1.038 ( -0.064 2.298 0.239) 2.311 1.040 ( -1.415 0.234 -1.335) 1.959 1.112 ( 1.660 3.964 2.794) 5.126 1.210 ( -0.224 -2.365 1.043) 2.594 1.314 ( 1.970 -0.513 -0.793) 2.184 1.352 ( -2.005 -2.401 -0.863) 3.245 1.466 ( 2.738 2.421 2.671) 4.527 1.478 ( 3.206 -2.687 0.710) 4.242 1.496 ( -6.497 -0.126 0.789) 6.546 1.654 ( 1.171 -4.131 -4.929) 6.537 1.814 ( 2.844 2.238 0.253) 3.628 1.871 ( -2.252 -2.400 -1.231) 3.513 1.927 ( 1.174 -3.417 0.216) 3.620 1.957 ( -1.734 -0.688 3.076) 3.598 1.995 ( 1.749 -0.242 3.052) 3.526 2.154 ( 0.382 -1.805 -4.405) 4.775 2.321 ( 1.469 -0.011 -0.078) 1.471 2.428 ( -2.358 -3.107 -2.705) 4.747 2.536 ( -2.668 5.789 0.431) 6.389 2.654 ( 0.122 1.386 -2.543) 2.899 2.687 ( 0.775 0.614 -0.641) 1.179 2.752 ( -1.231 -1.482 0.330) 1.955 2.834 ( 0.740 -0.331 0.293) 0.862 2.852 ( -3.184 -0.815 -0.320) 3.302 2.953 ( 2.591 0.309 4.048) 4.816 3.034 ( 2.684 -0.539 0.568) 2.796 3.053 ( -0.206 2.281 0.583) 2.364 3.144 ( 0.695 -1.956 -3.521) 4.087 3.203 ( -2.779 2.774 1.789) 4.315 3.268 ( 0.498 -1.497 1.723) 2.336 3.378 ( -0.368 1.455 -0.538) 1.594 3.401 ( 0.919 0.552 -0.164) 1.084 3.881 ( 0.523 0.132 -0.110) 0.551 3.886 ( -0.656 -0.087 -0.154) 0.679 4.292 ( 0.008 1.308 -0.118) 1.314 4.301 ( 0.064 0.808 -0.387) 0.898 4.877 ( -0.105 0.516 0.194) 0.561 4.882 ( 0.090 0.341 0.211) 0.411 4.926 ( -0.205 -0.455 1.797) 1.865 4.954 ( -0.132 -0.580 0.466) 0.756 4.998 ( 0.274 0.963 -0.676) 1.208 5.030 ( 0.161 -0.791 -1.557) 1.754 5.098 ( -0.014 0.147 0.316) 0.349 5.113 ( -0.076 -0.728 -0.457) 0.863 5.212 ( -0.042 0.587 0.444) 0.737 5.247 ( -0.089 -1.123 -0.783) 1.372 5.563 ( -0.036 0.158 0.280) 0.324 5.575 ( 0.195 -0.437 -0.081) 0.486 9.269 ( 0.066 0.332 -0.111) 0.356 9.277 ( -0.188 0.081 -0.237) 0.313 9.393 ( 0.282 0.277 0.306) 0.500 9.408 ( -0.066 -0.182 -0.362) 0.410 9.951 ( -0.133 0.528 0.386) 0.668 9.960 ( 0.081 0.100 0.015) 0.130 10.065 ( -0.056 0.477 0.478) 0.677 10.087 ( 0.017 -0.508 -0.357) 0.621 10.359 ( 0.078 -1.794 0.130) 1.800 10.367 ( -0.220 -2.160 0.120) 2.174 10.496 ( -0.139 0.614 0.128) 0.642 10.515 ( -0.148 -0.531 -0.677) 0.873 10.555 ( -0.189 1.839 0.028) 1.849 10.575 ( 0.489 1.304 -0.912) 1.665 10.633 ( -0.208 0.693 1.761) 1.904 10.686 ( 0.378 -1.867 -0.646) 2.011 ======================= Grid point 82 (40/70) ======================= q-point: ( 0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 2.951 1.105 6.543) 7.262 0.614 ( 3.618 -1.874 1.696) 4.413 0.672 ( 0.963 2.294 5.530) 6.063 0.721 ( 5.346 1.299 -0.552) 5.529 0.831 ( 2.142 4.426 0.702) 4.967 0.877 ( -2.902 1.755 -1.754) 3.819 0.958 ( -0.657 0.573 -1.905) 2.095 1.007 ( 1.095 -0.335 -4.054) 4.213 1.023 ( 0.485 -1.249 -1.414) 1.948 1.052 ( 0.976 0.940 1.256) 1.848 1.131 ( -0.024 0.565 0.660) 0.869 1.195 ( -1.378 -2.379 1.300) 3.042 1.282 ( -4.323 0.002 -0.418) 4.343 1.327 ( -3.544 5.319 -0.745) 6.435 1.389 ( -1.177 -6.107 0.466) 6.236 1.515 ( 1.959 -0.088 2.317) 3.036 1.548 ( 2.491 -2.970 1.753) 4.254 1.669 ( 0.684 -5.597 -3.655) 6.720 1.797 ( -2.872 0.655 -1.535) 3.322 1.876 ( 1.935 -0.317 0.522) 2.029 1.902 ( -4.355 -0.918 4.000) 5.985 1.919 ( -1.935 -2.949 -0.031) 3.527 2.009 ( -0.572 -0.446 0.202) 0.753 2.123 ( -2.414 -0.876 -5.890) 6.425 2.350 ( 0.641 0.547 1.504) 1.724 2.416 ( 2.047 -1.414 -3.765) 4.513 2.497 ( -1.324 4.734 1.000) 5.017 2.629 ( -1.604 -0.420 -2.399) 2.916 2.692 ( -0.244 0.424 1.738) 1.806 2.754 ( 0.987 0.853 1.242) 1.801 2.811 ( -0.914 -0.480 0.273) 1.068 2.866 ( 2.036 -1.583 1.273) 2.876 2.989 ( -0.112 0.865 1.120) 1.420 3.035 ( -0.652 2.723 0.882) 2.936 3.072 ( 0.870 -0.673 0.246) 1.127 3.125 ( -3.005 0.294 -2.378) 3.843 3.161 ( -0.291 0.759 -0.695) 1.069 3.250 ( -2.394 -3.335 2.824) 4.983 3.391 ( 1.622 2.410 -0.967) 3.061 3.423 ( 1.110 0.865 -0.015) 1.407 3.906 ( 2.604 0.439 -0.061) 2.642 3.923 ( 3.415 -0.352 -0.249) 3.442 4.281 ( -1.058 1.355 -0.124) 1.724 4.296 ( -0.457 0.595 -0.449) 0.874 4.877 ( 0.042 0.484 0.251) 0.547 4.885 ( 0.123 0.304 0.247) 0.410 4.927 ( 0.021 -0.391 1.646) 1.692 4.951 ( -0.316 -0.298 0.483) 0.650 5.002 ( 0.268 0.604 -0.693) 0.958 5.031 ( 0.219 -0.755 -1.565) 1.752 5.097 ( -0.127 0.095 0.379) 0.411 5.112 ( 0.054 -0.797 -0.493) 0.939 5.213 ( -0.009 0.589 0.600) 0.841 5.246 ( 0.119 -0.926 -0.841) 1.257 5.562 ( -0.065 0.215 0.283) 0.361 5.579 ( 0.273 -0.708 -0.178) 0.779 9.271 ( 0.171 0.258 -0.158) 0.348 9.274 ( -0.041 0.151 -0.150) 0.217 9.398 ( 0.112 0.050 0.158) 0.200 9.405 ( -0.086 -0.133 -0.304) 0.342 9.949 ( -0.041 0.520 0.267) 0.586 9.963 ( 0.154 -0.087 0.112) 0.209 10.065 ( -0.067 0.464 0.448) 0.649 10.086 ( -0.055 -0.522 -0.337) 0.624 10.371 ( 1.035 -1.625 0.403) 1.968 10.372 ( 0.738 -1.763 -0.069) 1.913 10.494 ( -0.043 0.742 0.295) 0.800 10.511 ( -0.173 0.032 -0.452) 0.485 10.550 ( -0.254 1.494 -0.309) 1.547 10.579 ( 0.137 0.451 -0.783) 0.914 10.625 ( -0.874 1.012 1.570) 2.062 10.683 ( -0.620 -1.874 -0.627) 2.071 ======================= Grid point 83 (41/70) ======================= q-point: ( 0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 2.121 2.761 3.978) 5.287 0.707 ( 3.330 -1.858 1.751) 4.196 0.713 ( 3.425 2.540 3.663) 5.622 0.798 ( 0.472 2.006 -0.222) 2.073 0.844 ( 2.035 1.744 -0.499) 2.726 0.889 ( 3.184 5.292 1.250) 6.301 0.936 ( -0.849 0.843 -2.256) 2.554 1.012 ( -1.771 0.609 -2.049) 2.776 1.021 ( 0.101 -0.217 -1.706) 1.723 1.073 ( 0.758 -2.633 2.715) 3.857 1.110 ( -1.123 -0.105 -1.270) 1.698 1.167 ( -2.003 0.751 -3.359) 3.982 1.217 ( -1.710 -1.554 0.245) 2.324 1.232 ( -3.060 2.577 -1.417) 4.244 1.436 ( 3.717 -4.765 1.857) 6.322 1.519 ( -1.883 0.636 4.155) 4.606 1.578 ( -0.081 -7.467 -1.083) 7.546 1.651 ( -1.366 -4.458 1.838) 5.011 1.751 ( -3.243 -1.783 -0.771) 3.780 1.823 ( -3.406 -3.076 4.491) 6.421 1.865 ( -2.132 -1.128 -2.251) 3.299 1.930 ( 2.891 0.194 -1.271) 3.164 1.984 ( -1.421 0.470 -2.369) 2.802 2.062 ( -2.248 -0.164 -7.028) 7.381 2.350 ( -0.674 2.970 0.401) 3.072 2.456 ( 2.219 0.159 -4.835) 5.322 2.502 ( 1.432 1.263 3.552) 4.032 2.603 ( -0.689 -0.735 0.715) 1.236 2.701 ( 0.620 1.238 4.657) 4.858 2.776 ( 0.941 -0.021 1.514) 1.783 2.810 ( 0.138 0.960 0.852) 1.291 2.902 ( 1.365 -1.598 1.525) 2.597 2.964 ( -1.510 2.586 0.258) 3.005 3.026 ( -1.606 1.817 -1.667) 2.943 3.057 ( -2.005 0.538 -0.457) 2.125 3.081 ( -0.127 -0.268 -1.018) 1.061 3.169 ( 0.774 -0.574 -0.858) 1.290 3.207 ( -2.240 -2.944 1.832) 4.128 3.420 ( 1.313 2.054 -0.702) 2.536 3.437 ( 0.283 1.392 -0.321) 1.457 3.966 ( 3.202 0.631 0.050) 3.264 3.988 ( 2.872 -0.351 -0.223) 2.902 4.256 ( -1.371 1.468 -0.011) 2.009 4.284 ( -0.648 0.035 -0.782) 1.016 4.879 ( 0.116 0.322 0.413) 0.537 4.887 ( 0.047 0.279 0.331) 0.436 4.932 ( 0.168 -0.331 1.310) 1.361 4.945 ( -0.384 0.060 0.573) 0.692 5.004 ( 0.094 0.254 -0.827) 0.871 5.032 ( 0.187 -0.679 -1.499) 1.656 5.095 ( -0.142 0.023 0.448) 0.471 5.114 ( 0.189 -0.980 -0.531) 1.130 5.214 ( -0.036 0.658 0.712) 0.971 5.248 ( 0.260 -0.881 -0.815) 1.228 5.562 ( -0.058 0.270 0.317) 0.420 5.583 ( 0.129 -0.880 -0.365) 0.961 9.273 ( 0.068 0.254 -0.170) 0.313 9.276 ( 0.192 0.000 -0.060) 0.202 9.397 ( -0.079 0.009 -0.182) 0.199 9.403 ( -0.105 -0.263 -0.119) 0.307 9.952 ( 0.247 0.260 0.194) 0.408 9.964 ( -0.132 -0.248 0.136) 0.312 10.065 ( -0.020 0.381 0.404) 0.556 10.084 ( -0.061 -0.537 -0.310) 0.623 10.390 ( 0.993 -0.917 -0.071) 1.354 10.395 ( 1.119 -0.813 0.597) 1.507 10.495 ( 0.015 0.978 0.512) 1.104 10.507 ( -0.221 0.732 0.071) 0.768 10.546 ( 0.055 0.529 -0.599) 0.800 10.577 ( -0.252 -0.579 -0.537) 0.829 10.611 ( -0.739 1.061 1.037) 1.658 10.664 ( -1.015 -1.649 -0.818) 2.102 ======================= Grid point 84 (42/70) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.093 3.422 2.311) 4.131 0.694 ( -3.712 2.463 5.008) 6.703 0.763 ( 0.214 0.773 -2.803) 2.915 0.855 ( 5.296 4.972 1.007) 7.333 0.889 ( 0.898 2.270 2.013) 3.164 0.894 ( -2.892 -3.889 1.684) 5.130 0.905 ( -2.776 0.504 -0.497) 2.865 0.994 ( 2.386 0.552 -0.630) 2.529 1.020 ( -0.031 2.391 -1.512) 2.830 1.058 ( -0.865 -1.491 -0.148) 1.731 1.111 ( -1.556 6.725 -0.967) 6.970 1.133 ( 0.533 -3.502 -3.989) 5.335 1.198 ( 0.451 -0.641 -2.625) 2.739 1.236 ( 2.123 -2.910 -2.302) 4.275 1.442 ( -2.837 2.081 5.766) 6.754 1.539 ( -1.114 -5.605 3.501) 6.702 1.581 ( 5.430 -7.320 0.099) 9.115 1.640 ( -0.424 0.642 1.427) 1.621 1.659 ( -4.727 -7.114 -0.498) 8.556 1.787 ( -1.971 -5.636 2.950) 6.660 1.850 ( 0.907 0.672 -2.162) 2.439 1.942 ( -0.818 -1.839 -1.852) 2.736 2.002 ( 3.332 1.476 -4.578) 5.852 2.021 ( -0.740 1.244 -4.889) 5.099 2.331 ( -1.090 3.985 -1.163) 4.292 2.491 ( 2.507 -0.247 -4.485) 5.144 2.540 ( 1.348 -0.655 4.080) 4.346 2.609 ( 0.916 -0.616 2.227) 2.485 2.718 ( -0.434 2.141 5.410) 5.834 2.790 ( 0.068 -0.923 2.478) 2.645 2.814 ( 0.493 3.305 1.860) 3.825 2.904 ( -2.273 0.122 0.691) 2.379 2.947 ( -0.309 1.614 -0.272) 1.665 2.989 ( -0.021 0.226 -2.136) 2.148 3.043 ( -0.378 0.661 -0.904) 1.182 3.079 ( 0.288 -1.337 -0.795) 1.582 3.176 ( -0.176 -0.664 0.203) 0.716 3.187 ( 0.498 -0.977 0.100) 1.101 3.430 ( -0.457 1.732 -0.517) 1.864 3.437 ( 0.149 1.487 -0.614) 1.615 4.003 ( -0.091 0.558 0.252) 0.619 4.016 ( 0.277 -0.075 -0.238) 0.373 4.241 ( -0.002 1.482 0.141) 1.488 4.275 ( 0.039 -0.342 -1.108) 1.160 4.882 ( 0.051 0.131 0.560) 0.578 4.887 ( -0.107 0.303 0.338) 0.466 4.933 ( -0.297 -0.269 0.887) 0.973 4.943 ( 0.175 0.202 0.871) 0.911 5.003 ( -0.094 0.204 -0.918) 0.945 5.032 ( 0.130 -0.660 -1.436) 1.586 5.094 ( -0.077 0.013 0.439) 0.446 5.117 ( 0.220 -1.133 -0.537) 1.273 5.214 ( -0.101 0.742 0.708) 1.030 5.251 ( 0.203 -0.999 -0.747) 1.264 5.561 ( -0.054 0.292 0.357) 0.464 5.582 ( -0.080 -0.844 -0.470) 0.969 9.273 ( -0.015 0.222 -0.086) 0.238 9.279 ( 0.173 -0.106 -0.098) 0.226 9.395 ( -0.172 -0.015 -0.157) 0.233 9.402 ( 0.037 -0.259 -0.218) 0.341 9.957 ( 0.180 -0.049 0.198) 0.272 9.960 ( -0.209 -0.161 0.107) 0.284 10.065 ( -0.029 0.311 0.387) 0.497 10.084 ( 0.049 -0.534 -0.304) 0.616 10.402 ( 0.137 -0.217 0.256) 0.362 10.406 ( -0.125 -0.213 0.294) 0.385 10.497 ( 0.088 1.098 0.582) 1.246 10.507 ( 0.318 0.663 0.538) 0.911 10.550 ( 0.427 0.119 -0.474) 0.649 10.568 ( -0.541 -0.921 -0.484) 1.172 10.603 ( -0.225 0.736 0.515) 0.926 10.650 ( -0.146 -1.425 -0.963) 1.726 ======================= Grid point 85 (43/70) ======================= q-point: (-0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -2.842 3.468 2.511) 5.139 0.608 ( -4.426 2.901 5.458) 7.602 0.728 ( -3.809 -0.930 1.169) 4.091 0.806 ( -4.340 -2.365 -0.497) 4.967 0.867 ( -0.896 3.056 -2.833) 4.262 0.916 ( 1.332 0.262 2.271) 2.646 0.942 ( 1.113 2.159 1.107) 2.669 0.990 ( -0.248 3.063 -0.985) 3.227 1.027 ( 0.257 1.101 -2.960) 3.169 1.066 ( -0.869 1.650 2.887) 3.437 1.104 ( 0.927 -0.351 -3.558) 3.694 1.138 ( 2.505 -1.796 -0.970) 3.232 1.216 ( 1.686 -2.498 -2.102) 3.674 1.277 ( 2.899 0.239 -1.904) 3.477 1.407 ( -2.010 -3.054 2.060) 4.196 1.526 ( -1.139 1.057 6.729) 6.906 1.598 ( -1.297 -7.894 -1.288) 8.103 1.633 ( 1.896 0.695 0.914) 2.217 1.710 ( 2.623 -1.869 -1.549) 3.573 1.773 ( 2.790 -5.595 2.909) 6.895 1.876 ( 2.047 -2.491 -1.237) 3.454 1.929 ( -0.395 -2.835 -1.834) 3.400 1.991 ( -0.992 3.700 -1.941) 4.294 2.070 ( 3.805 -0.503 -4.240) 5.719 2.314 ( -0.241 3.228 -2.687) 4.207 2.519 ( 0.569 -4.136 -5.295) 6.743 2.564 ( 0.531 1.711 6.661) 6.898 2.637 ( 1.388 -0.660 1.169) 1.931 2.696 ( -2.261 3.269 1.979) 4.440 2.797 ( 0.250 -0.946 2.281) 2.482 2.840 ( 0.820 1.421 3.824) 4.161 2.852 ( -1.628 2.380 0.013) 2.883 2.947 ( 0.661 0.934 -0.830) 1.413 2.983 ( -1.522 0.188 -1.828) 2.386 3.033 ( -0.146 0.882 -0.656) 1.109 3.097 ( 1.706 -2.434 -0.935) 3.116 3.190 ( 1.705 0.502 -0.563) 1.865 3.208 ( 1.291 -0.326 1.867) 2.293 3.411 ( -1.235 1.959 -0.844) 2.465 3.431 ( -0.717 0.667 -0.259) 1.013 3.965 ( -3.226 0.777 0.033) 3.319 3.994 ( -2.664 -0.629 -0.197) 2.744 4.256 ( 1.355 1.421 0.058) 1.965 4.282 ( 0.801 0.019 -0.868) 1.181 4.882 ( -0.123 -0.007 0.484) 0.499 4.885 ( -0.211 0.515 0.268) 0.618 4.929 ( -0.285 -0.268 1.202) 1.264 4.949 ( 0.246 -0.088 0.751) 0.796 4.998 ( -0.134 0.522 -0.902) 1.051 5.031 ( 0.087 -0.731 -1.439) 1.616 5.094 ( 0.047 0.079 0.367) 0.379 5.119 ( 0.033 -1.072 -0.524) 1.194 5.213 ( -0.090 0.728 0.608) 0.953 5.252 ( 0.049 -1.193 -0.698) 1.383 5.561 ( -0.018 0.270 0.366) 0.455 5.579 ( -0.220 -0.637 -0.410) 0.789 9.272 ( -0.122 0.241 -0.072) 0.279 9.281 ( 0.060 -0.144 -0.145) 0.213 9.391 ( -0.198 0.175 -0.148) 0.303 9.404 ( 0.233 -0.313 -0.174) 0.427 9.953 ( -0.270 0.170 0.195) 0.373 9.962 ( 0.103 -0.197 0.131) 0.258 10.065 ( -0.049 0.323 0.398) 0.515 10.085 ( 0.139 -0.534 -0.307) 0.631 10.390 ( -1.199 -0.609 -0.043) 1.345 10.397 ( -0.872 -0.590 0.559) 1.192 10.499 ( 0.006 0.829 0.523) 0.980 10.518 ( 0.499 0.331 0.015) 0.599 10.553 ( -0.185 0.152 -0.454) 0.513 10.563 ( 0.223 0.484 -0.431) 0.685 10.608 ( 0.647 0.592 0.977) 1.313 10.656 ( 0.851 -1.599 -0.936) 2.039 ======================= Grid point 86 (44/70) ======================= q-point: (-0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -4.485 1.959 6.625) 8.237 0.586 ( -0.817 3.387 3.817) 5.168 0.645 ( -4.457 -2.228 3.275) 5.963 0.733 ( -3.244 1.084 0.187) 3.425 0.846 ( -1.568 1.198 -2.523) 3.203 0.917 ( 0.241 -1.115 -2.045) 2.342 0.944 ( 0.130 0.294 0.069) 0.329 1.001 ( -0.122 1.344 -0.833) 1.586 1.042 ( 0.069 0.870 -1.119) 1.419 1.055 ( 1.345 4.165 2.042) 4.830 1.085 ( -1.068 -0.288 -2.540) 2.771 1.198 ( 1.530 -2.212 1.033) 2.882 1.261 ( 3.598 -0.995 0.224) 3.740 1.359 ( 4.868 4.102 -1.715) 6.593 1.376 ( -0.149 -7.582 -0.254) 7.588 1.496 ( -2.822 1.121 3.767) 4.839 1.582 ( -1.840 -2.960 0.997) 3.625 1.654 ( -0.696 -3.387 -2.098) 4.044 1.740 ( 4.067 3.241 -0.341) 5.212 1.874 ( 4.258 -3.208 1.294) 5.486 1.908 ( -0.917 -3.430 -1.432) 3.829 1.929 ( 3.151 -4.724 0.204) 5.682 1.977 ( -0.536 3.944 1.988) 4.449 2.128 ( 2.923 -1.737 -3.987) 5.240 2.309 ( 0.252 1.669 -2.404) 2.937 2.487 ( -2.699 -5.034 -2.479) 6.227 2.576 ( -1.138 4.448 4.067) 6.133 2.650 ( -0.364 1.881 -0.295) 1.938 2.671 ( 0.790 0.850 -1.912) 2.237 2.785 ( -1.742 -2.061 -0.385) 2.725 2.831 ( 0.014 1.592 0.181) 1.603 2.885 ( 1.627 -0.704 4.785) 5.103 2.931 ( -2.843 1.072 -0.941) 3.181 2.977 ( 2.603 -0.052 0.024) 2.603 3.042 ( 0.932 1.999 0.275) 2.223 3.128 ( 1.561 -2.107 -2.240) 3.449 3.224 ( 0.668 1.715 2.122) 2.809 3.237 ( 1.739 -0.478 0.657) 1.920 3.388 ( -0.690 1.680 -0.826) 1.996 3.410 ( -1.390 0.109 -0.030) 1.394 3.904 ( -2.683 0.595 -0.068) 2.749 3.930 ( -3.457 -0.675 -0.243) 3.530 4.281 ( 1.079 1.349 -0.068) 1.729 4.295 ( 0.600 0.574 -0.515) 0.977 4.880 ( -0.195 0.257 0.256) 0.412 4.882 ( -0.099 0.484 0.251) 0.554 4.927 ( -0.248 -0.423 1.640) 1.712 4.954 ( 0.072 -0.490 0.575) 0.759 4.996 ( 0.060 0.942 -0.800) 1.237 5.030 ( 0.088 -0.788 -1.493) 1.690 5.096 ( 0.095 0.141 0.310) 0.353 5.117 ( -0.127 -0.848 -0.477) 0.981 5.213 ( -0.064 0.642 0.455) 0.790 5.251 ( -0.097 -1.273 -0.707) 1.460 5.562 ( 0.043 0.197 0.332) 0.389 5.574 ( -0.127 -0.408 -0.217) 0.479 9.269 ( -0.088 0.308 -0.091) 0.333 9.280 ( -0.123 -0.073 -0.212) 0.256 9.389 ( 0.049 0.360 0.073) 0.371 9.408 ( 0.124 -0.303 -0.232) 0.401 9.951 ( -0.029 0.439 0.282) 0.523 9.962 ( -0.159 -0.050 0.091) 0.190 10.065 ( -0.027 0.404 0.446) 0.602 10.087 ( 0.101 -0.522 -0.334) 0.628 10.368 ( -0.970 -1.377 -0.084) 1.686 10.379 ( -0.963 -1.606 0.453) 1.927 10.498 ( -0.149 0.625 0.243) 0.687 10.520 ( -0.151 -0.618 -0.673) 0.926 10.554 ( 0.271 1.663 -0.029) 1.686 10.567 ( 0.360 1.294 -0.668) 1.500 10.625 ( 0.674 0.505 1.604) 1.812 10.673 ( 1.019 -1.758 -0.803) 2.185 ======================= Grid point 87 (45/70) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -0.845 -2.982 8.084) 8.658 0.502 ( -0.845 2.982 8.084) 8.658 0.696 ( 0.951 -2.027 -0.064) 2.240 0.696 ( 0.951 2.027 -0.064) 2.240 0.886 ( 0.540 -3.299 -3.353) 4.735 0.886 ( 0.540 3.299 -3.353) 4.735 0.951 ( -0.609 -1.382 -0.821) 1.719 0.951 ( -0.609 1.382 -0.821) 1.719 1.047 ( 0.376 -1.164 -0.854) 1.492 1.047 ( 0.376 1.164 -0.854) 1.492 1.168 ( -0.978 -1.838 4.345) 4.818 1.168 ( -0.978 1.838 4.345) 4.818 1.307 ( 1.421 -1.122 -1.924) 2.642 1.307 ( 1.421 1.122 -1.924) 2.642 1.475 ( -0.041 -1.072 1.609) 1.933 1.475 ( -0.041 1.072 1.609) 1.933 1.567 ( -0.716 -4.735 -2.235) 5.285 1.567 ( -0.716 4.735 -2.235) 5.285 1.839 ( 0.306 -1.153 -2.003) 2.332 1.839 ( 0.306 1.153 -2.003) 2.332 1.907 ( 0.796 -2.114 2.435) 3.322 1.907 ( 0.796 2.114 2.435) 3.322 2.076 ( 0.036 -5.370 1.870) 5.686 2.076 ( 0.036 5.370 1.870) 5.686 2.359 ( 0.170 -3.262 -4.299) 5.399 2.359 ( 0.170 3.262 -4.299) 5.399 2.635 ( -2.190 -3.465 -0.455) 4.124 2.635 ( -2.190 3.465 -0.455) 4.124 2.717 ( 0.784 -1.915 0.965) 2.284 2.717 ( 0.784 1.915 0.965) 2.284 2.833 ( -1.575 -0.607 -0.611) 1.795 2.833 ( -1.575 0.607 -0.611) 1.795 2.989 ( 2.581 -2.946 0.853) 4.008 2.989 ( 2.581 2.946 0.853) 4.008 3.103 ( 0.080 -2.207 -0.958) 2.408 3.103 ( 0.080 2.207 -0.958) 2.408 3.243 ( -1.527 -1.406 2.850) 3.526 3.243 ( -1.527 1.406 2.850) 3.526 3.400 ( 0.722 -0.636 -0.828) 1.269 3.400 ( 0.722 0.636 -0.828) 1.269 3.883 ( -0.038 -0.113 -0.163) 0.202 3.883 ( -0.038 0.113 -0.163) 0.202 4.307 ( 0.038 -0.210 -0.262) 0.337 4.307 ( 0.038 0.210 -0.262) 0.337 4.883 ( -0.038 -0.319 0.530) 0.620 4.883 ( -0.038 0.319 0.530) 0.620 4.935 ( -0.086 -1.114 0.757) 1.350 4.935 ( -0.086 1.114 0.757) 1.350 5.015 ( 0.175 -0.768 -1.206) 1.440 5.015 ( 0.175 0.768 -1.206) 1.440 5.103 ( -0.066 -0.375 0.110) 0.396 5.103 ( -0.066 0.375 0.110) 0.396 5.227 ( -0.009 -0.897 -0.191) 0.917 5.227 ( -0.009 0.897 -0.191) 0.917 5.567 ( 0.037 -0.297 0.062) 0.305 5.567 ( 0.037 0.297 0.062) 0.305 9.275 ( -0.032 -0.244 -0.165) 0.296 9.275 ( -0.032 0.244 -0.165) 0.296 9.401 ( 0.077 -0.460 0.025) 0.467 9.401 ( 0.077 0.460 0.025) 0.467 9.960 ( -0.022 -0.228 0.264) 0.350 9.960 ( -0.022 0.228 0.264) 0.350 10.076 ( -0.011 -0.596 0.099) 0.604 10.076 ( -0.011 0.596 0.099) 0.604 10.341 ( -0.103 -0.239 -0.151) 0.301 10.341 ( -0.103 0.239 -0.151) 0.301 10.505 ( -0.065 -0.445 -0.252) 0.516 10.505 ( -0.065 0.445 -0.252) 0.516 10.580 ( -0.015 -0.663 -0.218) 0.698 10.580 ( -0.015 0.663 -0.218) 0.698 10.656 ( 0.176 -1.369 0.421) 1.443 10.656 ( 0.176 1.369 0.421) 1.443 ======================= Grid point 89 (46/70) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 4.465 -2.746 6.042) 7.999 0.555 ( 4.465 2.746 6.042) 7.999 0.720 ( 1.544 -1.643 1.465) 2.689 0.720 ( 1.544 1.643 1.465) 2.689 0.899 ( 0.753 -1.031 -3.282) 3.522 0.899 ( 0.753 1.031 -3.282) 3.522 0.967 ( 2.919 -2.506 -1.913) 4.297 0.967 ( 2.919 2.506 -1.913) 4.297 1.046 ( -0.354 -1.912 -1.401) 2.396 1.046 ( -0.354 1.912 -1.401) 2.396 1.137 ( -2.852 -1.847 3.461) 4.850 1.137 ( -2.852 1.847 3.461) 4.850 1.306 ( -1.518 -2.195 0.280) 2.684 1.306 ( -1.518 2.195 0.280) 2.684 1.444 ( -2.110 -5.112 -2.278) 5.981 1.444 ( -2.110 5.112 -2.278) 5.981 1.572 ( 0.647 -3.335 1.925) 3.905 1.572 ( 0.647 3.335 1.925) 3.905 1.835 ( -2.239 -2.740 1.047) 3.690 1.835 ( -2.239 2.740 1.047) 3.690 1.891 ( -0.652 -1.586 -0.575) 1.808 1.891 ( -0.652 1.586 -0.575) 1.808 2.065 ( -1.563 -4.333 -1.099) 4.735 2.065 ( -1.563 4.333 -1.099) 4.735 2.376 ( 2.156 -2.071 -3.080) 4.293 2.376 ( 2.156 2.071 -3.080) 4.293 2.588 ( -2.154 -3.717 -0.174) 4.300 2.588 ( -2.154 3.717 -0.174) 4.300 2.727 ( -0.086 -2.610 1.934) 3.250 2.727 ( -0.086 2.610 1.934) 3.250 2.831 ( 1.262 -1.923 0.595) 2.376 2.831 ( 1.262 1.923 0.595) 2.376 3.032 ( 1.407 -2.976 -0.755) 3.378 3.032 ( 1.407 2.976 -0.755) 3.378 3.085 ( -1.552 -2.357 -0.580) 2.881 3.085 ( -1.552 2.357 -0.580) 2.881 3.203 ( -2.497 -2.119 2.274) 3.987 3.203 ( -2.497 2.119 2.274) 3.987 3.423 ( 1.492 -0.855 -0.552) 1.806 3.423 ( 1.492 0.855 -0.552) 1.806 3.915 ( 3.036 -0.459 -0.161) 3.075 3.915 ( 3.036 0.459 -0.161) 3.075 4.299 ( -0.846 -0.377 -0.278) 0.967 4.299 ( -0.846 0.377 -0.278) 0.967 4.884 ( 0.024 -0.344 0.519) 0.623 4.884 ( 0.024 0.344 0.519) 0.623 4.936 ( -0.003 -0.985 0.792) 1.264 4.936 ( -0.003 0.985 0.792) 1.264 5.016 ( 0.147 -0.747 -1.266) 1.478 5.016 ( 0.147 0.747 -1.266) 1.478 5.101 ( -0.128 -0.361 0.121) 0.402 5.101 ( -0.128 0.361 0.121) 0.402 5.228 ( 0.118 -0.876 -0.152) 0.897 5.228 ( 0.118 0.876 -0.152) 0.897 5.568 ( 0.056 -0.418 0.033) 0.423 5.568 ( 0.056 0.418 0.033) 0.423 9.275 ( 0.028 -0.084 -0.147) 0.171 9.275 ( 0.028 0.084 -0.147) 0.171 9.401 ( -0.056 -0.241 -0.019) 0.248 9.401 ( -0.056 0.241 -0.019) 0.248 9.959 ( -0.076 -0.395 0.245) 0.472 9.959 ( -0.076 0.395 0.245) 0.472 10.075 ( -0.090 -0.571 0.093) 0.586 10.075 ( -0.090 0.571 0.093) 0.586 10.353 ( 1.291 -0.110 -0.047) 1.296 10.353 ( 1.291 0.110 -0.047) 1.296 10.505 ( 0.108 -0.431 -0.207) 0.490 10.505 ( 0.108 0.431 -0.207) 0.490 10.576 ( -0.464 -0.839 -0.179) 0.976 10.576 ( -0.464 0.839 -0.179) 0.976 10.651 ( -0.697 -1.454 0.288) 1.638 10.651 ( -0.697 1.454 0.288) 1.638 ======================= Grid point 91 (47/70) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 3.794 -3.633 3.641) 6.391 0.653 ( 3.794 3.633 3.641) 6.391 0.767 ( 2.925 -3.056 2.440) 4.883 0.767 ( 2.925 3.056 2.440) 4.883 0.901 ( 0.518 -1.800 -3.598) 4.057 0.901 ( 0.518 1.800 -3.598) 4.057 1.001 ( -1.360 -3.118 -0.450) 3.431 1.001 ( -1.360 3.118 -0.450) 3.431 1.049 ( 1.271 -0.695 -2.517) 2.903 1.049 ( 1.271 0.695 -2.517) 2.903 1.094 ( -0.699 -3.529 1.139) 3.774 1.094 ( -0.699 3.529 1.139) 3.773 1.263 ( -2.333 -3.010 -0.579) 3.852 1.263 ( -2.333 3.010 -0.579) 3.852 1.418 ( 0.162 -5.830 -0.923) 5.905 1.418 ( 0.162 5.830 -0.923) 5.905 1.576 ( -1.468 -3.729 4.533) 6.051 1.576 ( -1.468 3.729 4.533) 6.051 1.755 ( -4.862 -2.494 2.294) 5.926 1.755 ( -4.862 2.494 2.294) 5.926 1.897 ( 0.373 -2.633 -1.527) 3.066 1.897 ( 0.373 2.633 -1.527) 3.066 2.029 ( -0.753 -2.755 -5.515) 6.211 2.029 ( -0.753 2.755 -5.515) 6.211 2.411 ( 1.659 -3.088 -3.186) 4.737 2.411 ( 1.659 3.088 -3.186) 4.737 2.564 ( -0.449 -3.162 2.169) 3.860 2.564 ( -0.449 3.162 2.169) 3.860 2.737 ( 0.686 -2.250 3.964) 4.609 2.737 ( 0.686 2.250 3.964) 4.609 2.861 ( 1.407 -2.592 0.998) 3.114 2.861 ( 1.407 2.592 0.998) 3.114 3.019 ( -2.401 -2.683 -0.879) 3.706 3.019 ( -2.401 2.683 -0.879) 3.706 3.065 ( -0.323 -1.003 -0.568) 1.197 3.065 ( -0.323 1.003 -0.568) 1.197 3.174 ( -0.674 -0.995 0.514) 1.307 3.174 ( -0.674 0.995 0.514) 1.307 3.445 ( 0.783 -0.494 -0.522) 1.063 3.445 ( 0.783 0.494 -0.522) 1.063 3.978 ( 3.124 -0.587 -0.077) 3.180 3.978 ( 3.124 0.587 -0.077) 3.180 4.278 ( -1.150 -0.692 -0.355) 1.389 4.278 ( -1.150 0.692 -0.355) 1.389 4.886 ( 0.011 -0.346 0.494) 0.603 4.886 ( 0.011 0.346 0.494) 0.603 4.937 ( 0.010 -0.645 0.887) 1.096 4.937 ( 0.010 0.645 0.887) 1.096 5.016 ( 0.097 -0.833 -1.371) 1.607 5.016 ( 0.097 0.833 -1.371) 1.607 5.099 ( -0.074 -0.461 0.117) 0.481 5.099 ( -0.074 0.461 0.117) 0.481 5.230 ( 0.137 -0.924 -0.085) 0.938 5.230 ( 0.137 0.924 -0.085) 0.938 5.569 ( 0.027 -0.517 -0.019) 0.518 5.569 ( 0.027 0.517 -0.019) 0.518 9.276 ( 0.075 -0.054 -0.101) 0.137 9.276 ( 0.075 0.054 -0.101) 0.137 9.399 ( -0.131 -0.171 -0.106) 0.240 9.399 ( -0.131 0.171 -0.106) 0.240 9.958 ( -0.072 -0.341 0.206) 0.405 9.958 ( -0.072 0.341 0.206) 0.405 10.074 ( -0.073 -0.520 0.085) 0.532 10.074 ( -0.073 0.520 0.085) 0.532 10.382 ( 1.590 -0.215 0.200) 1.617 10.382 ( 1.590 0.215 0.200) 1.617 10.508 ( 0.242 -0.376 -0.136) 0.467 10.508 ( 0.242 0.376 -0.136) 0.467 10.563 ( -0.716 -0.879 -0.113) 1.139 10.563 ( -0.716 0.879 -0.113) 1.139 10.635 ( -0.876 -1.349 0.004) 1.609 10.635 ( -0.876 1.349 0.004) 1.609 ======================= Grid point 93 (48/70) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -0.637 -3.401 2.172) 4.085 0.689 ( -0.637 3.401 2.172) 4.085 0.799 ( -1.861 -4.418 1.857) 5.142 0.799 ( -1.861 4.418 1.857) 5.142 0.899 ( 0.524 -0.408 -0.357) 0.754 0.899 ( 0.524 0.408 -0.357) 0.754 0.994 ( 2.151 -5.100 -1.748) 5.805 0.994 ( 2.151 5.100 -1.747) 5.805 1.043 ( -0.445 -2.978 -1.685) 3.450 1.043 ( -0.445 2.978 -1.685) 3.450 1.104 ( 0.126 -4.808 -0.737) 4.865 1.104 ( 0.126 4.808 -0.737) 4.865 1.226 ( -1.235 -3.160 -2.188) 4.037 1.226 ( -1.235 3.160 -2.188) 4.037 1.456 ( 2.084 -2.867 0.528) 3.583 1.456 ( 2.084 2.867 0.528) 3.583 1.537 ( -1.035 -4.210 5.150) 6.732 1.537 ( -1.035 4.210 5.150) 6.732 1.696 ( -1.861 -3.605 2.074) 4.557 1.696 ( -1.861 3.605 2.074) 4.557 1.889 ( -0.671 -2.837 -1.603) 3.327 1.889 ( -0.671 2.837 -1.603) 3.327 2.028 ( 1.503 -0.720 -6.095) 6.319 2.028 ( 1.503 0.720 -6.095) 6.319 2.421 ( 0.151 -4.763 -4.097) 6.284 2.421 ( 0.151 4.763 -4.097) 6.284 2.577 ( 1.047 -2.353 3.577) 4.408 2.577 ( 1.047 2.353 3.577) 4.408 2.759 ( 0.339 -1.883 5.273) 5.610 2.759 ( 0.339 1.883 5.273) 5.610 2.877 ( -0.217 -2.441 1.250) 2.751 2.877 ( -0.217 2.441 1.250) 2.751 2.978 ( -0.953 -1.301 -0.743) 1.776 2.978 ( -0.953 1.301 -0.743) 1.776 3.057 ( -0.354 -0.809 -1.040) 1.364 3.057 ( -0.354 0.809 -1.040) 1.364 3.176 ( 0.737 -0.346 -0.448) 0.929 3.176 ( 0.737 0.346 -0.448) 0.929 3.449 ( -0.268 -0.210 -0.567) 0.661 3.449 ( -0.268 0.210 -0.567) 0.661 4.012 ( 0.078 -0.323 0.022) 0.333 4.012 ( 0.078 0.323 0.022) 0.333 4.264 ( 0.001 -0.832 -0.436) 0.940 4.264 ( 0.001 0.832 -0.436) 0.940 4.886 ( -0.067 -0.295 0.480) 0.567 4.886 ( -0.067 0.295 0.480) 0.567 4.939 ( -0.061 -0.545 0.954) 1.101 4.939 ( -0.061 0.545 0.954) 1.101 5.015 ( 0.076 -0.933 -1.421) 1.701 5.015 ( 0.076 0.933 -1.421) 1.701 5.099 ( 0.050 -0.605 0.097) 0.614 5.099 ( 0.050 0.605 0.097) 0.614 5.231 ( 0.018 -0.995 -0.054) 0.997 5.231 ( 0.018 0.995 -0.054) 0.997 5.569 ( -0.032 -0.525 -0.043) 0.527 5.569 ( -0.032 0.525 -0.043) 0.527 9.277 ( 0.053 -0.147 -0.074) 0.173 9.277 ( 0.053 0.147 -0.074) 0.173 9.397 ( -0.053 -0.194 -0.150) 0.251 9.397 ( -0.053 0.194 -0.150) 0.251 9.957 ( -0.025 -0.075 0.186) 0.202 9.957 ( -0.025 0.075 0.186) 0.202 10.073 ( -0.004 -0.494 0.082) 0.501 10.073 ( -0.004 0.494 0.082) 0.501 10.402 ( 0.115 -0.156 0.370) 0.418 10.402 ( 0.115 0.156 0.370) 0.418 10.512 ( 0.135 -0.334 -0.127) 0.382 10.512 ( 0.135 0.334 -0.127) 0.382 10.554 ( 0.008 -0.390 -0.063) 0.395 10.554 ( 0.008 0.390 -0.063) 0.395 10.623 ( -0.240 -1.240 -0.181) 1.276 10.623 ( -0.240 1.240 -0.181) 1.276 ======================= Grid point 95 (49/70) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -4.385 -0.220 4.089) 6.000 0.646 ( -4.385 0.220 4.089) 6.000 0.727 ( -3.664 -2.803 0.569) 4.649 0.727 ( -3.664 2.803 0.569) 4.649 0.925 ( 0.344 -0.940 -0.869) 1.326 0.925 ( 0.344 0.940 -0.869) 1.326 1.017 ( -0.606 -4.245 -1.724) 4.621 1.017 ( -0.606 4.245 -1.724) 4.621 1.032 ( 0.048 -2.359 -2.547) 3.472 1.032 ( 0.048 2.359 -2.547) 3.472 1.105 ( 1.005 -3.333 1.444) 3.769 1.105 ( 1.005 3.333 1.444) 3.769 1.233 ( 2.250 -4.061 -0.863) 4.722 1.233 ( 2.250 4.061 -0.863) 4.722 1.435 ( -1.125 -6.362 -1.273) 6.585 1.435 ( -1.125 6.362 -1.273) 6.585 1.607 ( 2.055 -4.245 6.143) 7.745 1.607 ( 2.055 4.245 6.143) 7.745 1.700 ( 3.844 -0.870 0.681) 4.000 1.700 ( 3.844 0.870 0.681) 4.000 1.873 ( -0.622 -1.973 -2.274) 3.074 1.873 ( -0.622 1.973 -2.274) 3.074 2.050 ( 1.579 -1.890 -3.861) 4.580 2.050 ( 1.579 1.890 -3.861) 4.580 2.406 ( -0.783 -5.806 -4.123) 7.164 2.406 ( -0.783 5.806 -4.123) 7.164 2.609 ( 1.521 -1.997 3.290) 4.138 2.609 ( 1.521 1.997 3.290) 4.138 2.760 ( -1.127 -2.790 3.475) 4.597 2.760 ( -1.127 2.790 3.475) 4.597 2.863 ( -0.844 -0.809 1.800) 2.146 2.863 ( -0.844 0.809 1.800) 2.146 2.973 ( -0.357 -1.228 -2.311) 2.641 2.973 ( -0.357 1.228 -2.311) 2.641 3.057 ( 0.946 -1.533 -0.185) 1.811 3.057 ( 0.946 1.533 -0.185) 1.811 3.200 ( 1.800 -0.574 0.576) 1.975 3.200 ( 1.800 0.574 0.576) 1.975 3.434 ( -1.166 -0.467 -0.589) 1.387 3.434 ( -1.166 0.467 -0.589) 1.387 3.980 ( -3.065 -0.735 -0.072) 3.152 3.980 ( -3.065 0.735 -0.072) 3.152 4.277 ( 1.215 -0.635 -0.360) 1.418 4.277 ( 1.215 0.635 -0.360) 1.418 4.885 ( -0.120 -0.283 0.494) 0.582 4.885 ( -0.120 0.283 0.494) 0.582 4.938 ( -0.171 -0.857 0.906) 1.259 4.938 ( -0.171 0.857 0.906) 1.259 5.014 ( 0.111 -0.957 -1.359) 1.666 5.014 ( 0.111 0.957 -1.359) 1.666 5.101 ( 0.110 -0.650 0.086) 0.665 5.101 ( 0.110 0.650 0.086) 0.665 5.231 ( -0.093 -1.020 -0.085) 1.027 5.231 ( -0.093 1.020 -0.085) 1.027 5.568 ( -0.066 -0.437 -0.018) 0.442 5.568 ( -0.066 0.437 -0.018) 0.442 9.277 ( -0.009 -0.281 -0.090) 0.295 9.277 ( -0.009 0.281 -0.090) 0.295 9.397 ( 0.074 -0.408 -0.120) 0.432 9.397 ( 0.074 0.408 -0.120) 0.432 9.958 ( 0.029 -0.246 0.204) 0.321 9.958 ( 0.029 0.246 0.204) 0.321 10.074 ( 0.058 -0.552 0.085) 0.561 10.074 ( 0.058 0.552 0.085) 0.561 10.387 ( -1.524 -0.240 0.200) 1.556 10.387 ( -1.524 0.240 0.200) 1.556 10.511 ( -0.142 -0.575 -0.122) 0.605 10.511 ( -0.142 0.575 -0.122) 0.605 10.564 ( 0.811 -0.467 -0.125) 0.944 10.564 ( 0.811 0.467 -0.125) 0.944 10.627 ( 0.650 -1.300 0.005) 1.454 10.627 ( 0.650 1.300 0.005) 1.454 ======================= Grid point 97 (50/70) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -5.423 -2.953 7.013) 9.344 0.554 ( -5.423 2.953 7.013) 9.344 0.691 ( -0.571 -3.936 -0.058) 3.977 0.691 ( -0.571 3.936 -0.058) 3.977 0.902 ( -1.420 -2.091 -2.544) 3.586 0.902 ( -1.420 2.091 -2.544) 3.586 0.979 ( -1.933 -3.329 -1.687) 4.203 0.979 ( -1.933 3.329 -1.687) 4.203 1.039 ( 0.599 -0.441 -1.404) 1.589 1.039 ( 0.599 0.441 -1.404) 1.589 1.150 ( 2.089 -2.722 3.509) 4.908 1.150 ( 2.089 2.722 3.509) 4.908 1.275 ( 1.949 -2.435 -0.354) 3.139 1.275 ( 1.949 2.435 -0.354) 3.139 1.446 ( 2.136 -4.493 -1.938) 5.339 1.446 ( 2.136 4.493 -1.938) 5.339 1.599 ( -1.953 -2.754 1.744) 3.800 1.599 ( -1.953 2.754 1.744) 3.800 1.818 ( 5.154 -4.161 2.609) 7.120 1.818 ( 5.155 4.161 2.609) 7.120 1.860 ( 0.445 -0.436 -2.248) 2.333 1.860 ( 0.445 0.436 -2.248) 2.333 2.068 ( 0.674 -4.240 -0.487) 4.321 2.068 ( 0.674 4.240 -0.487) 4.321 2.379 ( -1.122 -5.018 -4.167) 6.618 2.379 ( -1.122 5.018 -4.167) 6.618 2.641 ( 1.145 -1.895 2.245) 3.153 2.641 ( 1.145 1.895 2.245) 3.153 2.730 ( -2.056 -3.474 0.024) 4.036 2.730 ( -2.056 3.474 0.024) 4.036 2.861 ( -0.507 -1.448 1.148) 1.916 2.861 ( -0.507 1.448 1.148) 1.916 2.957 ( 0.104 -1.525 -0.972) 1.811 2.957 ( 0.104 1.525 -0.972) 1.811 3.086 ( 1.599 -2.128 -0.332) 2.683 3.086 ( 1.599 2.128 -0.332) 2.683 3.237 ( 1.391 -0.074 2.089) 2.511 3.237 ( 1.391 0.074 2.089) 2.511 3.408 ( -1.187 -0.411 -0.746) 1.461 3.408 ( -1.187 0.411 -0.746) 1.461 3.917 ( -3.076 -0.654 -0.158) 3.148 3.917 ( -3.076 0.654 -0.158) 3.148 4.298 ( 0.933 -0.335 -0.280) 1.030 4.298 ( 0.933 0.335 -0.280) 1.030 4.884 ( -0.104 -0.307 0.521) 0.613 4.884 ( -0.104 0.307 0.521) 0.613 4.936 ( -0.185 -1.060 0.803) 1.342 4.936 ( -0.185 1.060 0.803) 1.342 5.014 ( 0.159 -0.878 -1.249) 1.535 5.014 ( 0.159 0.878 -1.249) 1.535 5.103 ( 0.047 -0.527 0.094) 0.538 5.103 ( 0.047 0.527 0.094) 0.538 5.228 ( -0.101 -0.969 -0.155) 0.986 5.228 ( -0.101 0.969 -0.155) 0.986 5.567 ( -0.026 -0.310 0.036) 0.313 5.567 ( -0.026 0.310 0.036) 0.313 9.276 ( -0.046 -0.335 -0.135) 0.365 9.276 ( -0.046 0.335 -0.135) 0.365 9.398 ( 0.128 -0.560 -0.032) 0.576 9.398 ( 0.128 0.560 -0.032) 0.576 9.959 ( 0.036 -0.291 0.243) 0.381 9.959 ( 0.036 0.291 0.243) 0.381 10.075 ( 0.067 -0.603 0.094) 0.613 10.075 ( 0.067 0.603 0.094) 0.613 10.356 ( -1.419 -0.359 -0.050) 1.465 10.356 ( -1.419 0.359 -0.050) 1.465 10.508 ( -0.175 -0.490 -0.201) 0.558 10.508 ( -0.175 0.490 -0.201) 0.558 10.577 ( 0.463 -0.446 -0.216) 0.678 10.577 ( 0.463 0.446 -0.216) 0.678 10.644 ( 0.903 -1.285 0.326) 1.604 10.644 ( 0.903 1.285 0.326) 1.604 ======================= Grid point 117 (51/70) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -1.731 0.000 -2.180) 2.783 0.420 ( 1.731 0.000 2.180) 2.783 0.436 ( 2.461 0.000 -1.172) 2.726 0.436 ( -2.461 0.000 1.172) 2.726 0.830 ( -0.607 0.000 -2.540) 2.611 0.830 ( 0.607 0.000 2.540) 2.611 0.936 ( 2.403 0.000 -2.380) 3.382 0.936 ( -2.403 0.000 2.380) 3.382 1.052 ( 1.331 0.000 -11.718) 11.794 1.052 ( -1.331 0.000 11.718) 11.794 1.120 ( -1.624 0.000 -0.906) 1.859 1.120 ( 1.624 0.000 0.906) 1.859 1.349 ( 3.363 0.000 -1.307) 3.608 1.349 ( -3.363 0.000 1.307) 3.608 1.542 ( 5.085 0.000 -4.174) 6.579 1.542 ( -5.085 0.000 4.174) 6.579 1.697 ( -2.024 0.000 -2.534) 3.243 1.697 ( 2.024 0.000 2.534) 3.243 1.778 ( 2.375 0.000 -1.756) 2.954 1.778 ( -2.375 0.000 1.756) 2.954 2.083 ( -4.250 0.000 1.383) 4.469 2.083 ( 4.250 0.000 -1.383) 4.469 2.260 ( -4.182 0.000 -1.764) 4.539 2.260 ( 4.182 0.000 1.764) 4.539 2.341 ( -0.422 0.000 -1.698) 1.750 2.341 ( 0.422 0.000 1.698) 1.750 2.604 ( 1.368 0.000 -1.740) 2.213 2.604 ( -1.368 0.000 1.740) 2.213 2.727 ( -2.074 0.000 -1.163) 2.378 2.727 ( 2.074 0.000 1.163) 2.378 2.838 ( -4.403 0.000 -0.571) 4.440 2.838 ( 4.403 0.000 0.571) 4.440 2.913 ( 4.618 0.000 -3.958) 6.082 2.913 ( -4.618 0.000 3.958) 6.082 3.086 ( -1.499 0.000 -2.597) 2.999 3.086 ( 1.499 0.000 2.597) 2.999 3.165 ( -4.391 0.000 -3.260) 5.469 3.165 ( 4.391 0.000 3.260) 5.469 3.400 ( -0.987 0.000 -4.040) 4.159 3.400 ( 0.987 0.000 4.040) 4.159 3.875 ( -0.647 0.000 -0.536) 0.840 3.875 ( 0.647 0.000 0.536) 0.840 4.225 ( 0.033 0.000 -1.286) 1.286 4.225 ( -0.033 0.000 1.286) 1.286 4.857 ( -0.230 0.000 -1.395) 1.414 4.857 ( 0.230 0.000 1.395) 1.414 4.957 ( 0.388 0.000 -0.206) 0.439 4.957 ( -0.388 0.000 0.206) 0.439 5.030 ( -0.249 0.000 -2.868) 2.879 5.030 ( 0.249 0.000 2.868) 2.879 5.114 ( 0.087 0.000 -1.335) 1.338 5.114 ( -0.087 0.000 1.335) 1.338 5.245 ( -0.933 0.000 -2.399) 2.574 5.245 ( 0.933 0.000 2.399) 2.574 5.583 ( 0.739 0.000 -1.283) 1.481 5.583 ( -0.739 0.000 1.283) 1.481 9.278 ( -0.215 0.000 -0.529) 0.571 9.278 ( 0.215 0.000 0.529) 0.571 9.398 ( -0.485 0.000 -0.060) 0.488 9.398 ( 0.485 0.000 0.060) 0.488 9.960 ( -0.144 0.000 -0.255) 0.293 9.960 ( 0.144 0.000 0.255) 0.293 10.073 ( 0.216 0.000 -1.197) 1.217 10.073 ( -0.216 0.000 1.197) 1.217 10.300 ( -0.251 0.000 -0.099) 0.269 10.300 ( 0.251 0.000 0.099) 0.269 10.492 ( -0.033 0.000 -2.145) 2.145 10.492 ( 0.033 0.000 2.145) 2.145 10.543 ( -0.030 0.000 -1.271) 1.271 10.543 ( 0.030 0.000 1.271) 1.271 10.776 ( 0.050 0.000 -0.829) 0.830 10.776 ( -0.050 0.000 0.829) 0.830 ======================= Grid point 119 (52/70) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 4.053 0.000 -6.397) 7.573 0.498 ( 7.296 0.000 5.172) 8.943 0.503 ( 5.506 0.000 7.381) 9.209 0.570 ( 10.584 0.000 -6.896) 12.632 0.822 ( 1.128 0.000 -9.165) 9.234 0.835 ( -2.815 0.000 4.583) 5.378 0.889 ( -0.018 0.000 -0.928) 0.928 0.952 ( 0.527 0.000 -1.680) 1.761 1.047 ( -4.796 0.000 1.069) 4.913 1.067 ( 0.123 0.000 6.199) 6.200 1.084 ( 1.023 0.000 -8.348) 8.411 1.141 ( -0.035 0.000 7.161) 7.161 1.272 ( -4.481 0.000 1.811) 4.833 1.377 ( -0.560 0.000 -0.898) 1.058 1.484 ( -0.739 0.000 2.604) 2.706 1.610 ( 2.948 0.000 -9.686) 10.124 1.663 ( -0.911 0.000 -1.668) 1.901 1.728 ( 0.563 0.000 1.104) 1.239 1.769 ( 0.514 0.000 5.757) 5.780 1.830 ( 2.315 0.000 2.747) 3.593 1.968 ( -6.290 0.000 0.374) 6.301 2.075 ( -4.077 0.000 -2.189) 4.628 2.218 ( -0.201 0.000 -1.284) 1.300 2.326 ( 0.076 0.000 0.500) 0.505 2.363 ( 4.103 0.000 2.274) 4.691 2.375 ( 2.873 0.000 2.683) 3.931 2.579 ( -1.352 0.000 0.510) 1.445 2.620 ( 0.535 0.000 -1.841) 1.917 2.683 ( -2.144 0.000 -0.122) 2.147 2.709 ( -3.897 0.000 -1.137) 4.060 2.815 ( -1.159 0.000 4.288) 4.442 2.829 ( -1.479 0.000 4.077) 4.337 2.917 ( 2.500 0.000 0.798) 2.624 2.924 ( -2.995 0.000 -2.803) 4.102 3.070 ( -2.977 0.000 -1.506) 3.336 3.112 ( -0.087 0.000 0.255) 0.269 3.113 ( 4.776 0.000 -5.987) 7.659 3.213 ( 0.365 0.000 2.682) 2.707 3.378 ( 0.136 0.000 -4.389) 4.391 3.393 ( -2.511 0.000 2.134) 3.295 3.901 ( 2.974 0.000 -0.928) 3.115 3.928 ( 3.923 0.000 2.110) 4.455 4.220 ( -0.202 0.000 -1.745) 1.757 4.223 ( -0.521 0.000 1.795) 1.869 4.854 ( 0.147 0.000 -1.004) 1.015 4.866 ( 0.301 0.000 1.438) 1.469 4.954 ( 0.065 0.000 0.192) 0.203 4.966 ( 0.614 0.000 -0.654) 0.897 5.018 ( -0.463 0.000 -2.355) 2.400 5.033 ( -0.604 0.000 2.835) 2.898 5.114 ( 0.133 0.000 -1.445) 1.451 5.115 ( -0.099 0.000 1.385) 1.388 5.229 ( -0.042 0.000 -2.282) 2.282 5.262 ( 0.266 0.000 2.331) 2.346 5.576 ( -0.117 0.000 0.880) 0.888 5.593 ( 0.592 0.000 -2.108) 2.189 9.274 ( -0.033 0.000 -0.550) 0.551 9.281 ( 0.030 0.000 0.520) 0.521 9.386 ( -0.616 0.000 0.028) 0.617 9.399 ( -0.345 0.000 -0.128) 0.367 9.956 ( -0.156 0.000 -0.237) 0.284 9.961 ( -0.051 0.000 0.209) 0.215 10.072 ( -0.091 0.000 1.157) 1.160 10.075 ( 0.189 0.000 -1.260) 1.274 10.328 ( 2.851 0.000 0.527) 2.899 10.333 ( 2.849 0.000 -0.351) 2.870 10.489 ( 0.086 0.000 -2.555) 2.556 10.499 ( 0.213 0.000 2.352) 2.361 10.540 ( 0.006 0.000 -1.876) 1.876 10.547 ( 0.195 0.000 1.482) 1.495 10.745 ( -2.688 0.000 -2.035) 3.372 10.748 ( -2.849 0.000 1.583) 3.259 ======================= Grid point 120 (53/70) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 7.216 0.000 -3.987) 8.244 0.634 ( 6.250 0.000 5.550) 8.359 0.668 ( 8.062 0.000 3.773) 8.901 0.700 ( 3.222 0.000 -13.032) 13.425 0.769 ( -3.255 0.000 7.627) 8.293 0.896 ( 4.429 0.000 -6.267) 7.674 0.905 ( -3.246 0.000 1.874) 3.748 0.910 ( 0.336 0.000 -1.179) 1.226 0.961 ( -0.930 0.000 1.512) 1.775 1.049 ( -1.868 0.000 -0.688) 1.991 1.076 ( -1.133 0.000 -7.793) 7.875 1.157 ( -0.250 0.000 8.757) 8.760 1.215 ( -1.038 0.000 1.572) 1.884 1.317 ( -5.573 0.000 1.263) 5.714 1.516 ( 2.919 0.000 1.638) 3.347 1.634 ( 0.282 0.000 -3.967) 3.977 1.673 ( 3.667 0.000 -6.872) 7.789 1.724 ( -1.129 0.000 1.475) 1.858 1.741 ( -4.274 0.000 1.418) 4.503 1.847 ( -2.114 0.000 4.094) 4.608 1.925 ( 1.386 0.000 3.266) 3.548 1.989 ( -3.145 0.000 -1.198) 3.366 2.220 ( 0.712 0.000 -1.340) 1.517 2.301 ( -2.466 0.000 0.402) 2.498 2.441 ( 2.789 0.000 3.685) 4.622 2.449 ( 3.927 0.000 0.746) 3.997 2.556 ( -0.832 0.000 -0.048) 0.833 2.615 ( -0.164 0.000 -2.445) 2.451 2.653 ( -0.985 0.000 1.153) 1.516 2.658 ( -0.983 0.000 -0.559) 1.131 2.733 ( -4.612 0.000 5.823) 7.429 2.819 ( -5.198 0.000 -6.658) 8.446 2.892 ( 3.536 0.000 1.674) 3.912 2.954 ( 0.640 0.000 -0.256) 0.689 3.032 ( -0.883 0.000 0.530) 1.030 3.075 ( -2.856 0.000 -0.677) 2.935 3.218 ( 5.810 0.000 -2.416) 6.292 3.232 ( 1.415 0.000 2.150) 2.574 3.333 ( -3.341 0.000 0.288) 3.353 3.368 ( -1.159 0.000 -2.560) 2.810 3.962 ( 3.230 0.000 -1.224) 3.454 3.995 ( 2.044 0.000 2.091) 2.924 4.213 ( -0.085 0.000 -2.850) 2.851 4.214 ( -0.781 0.000 3.122) 3.218 4.858 ( 0.407 0.000 -0.650) 0.767 4.870 ( -0.135 0.000 0.953) 0.962 4.962 ( 0.740 0.000 0.709) 1.025 4.978 ( 0.767 0.000 -1.028) 1.282 5.004 ( -0.563 0.000 -2.050) 2.126 5.019 ( -1.237 0.000 2.267) 2.582 5.114 ( 0.213 0.000 -1.604) 1.618 5.116 ( -0.134 0.000 1.565) 1.571 5.235 ( 0.945 0.000 -1.965) 2.180 5.263 ( -0.586 0.000 2.301) 2.375 5.581 ( 0.335 0.000 1.444) 1.483 5.596 ( 0.111 0.000 -2.330) 2.332 9.275 ( 0.200 0.000 -0.489) 0.528 9.281 ( -0.164 0.000 0.562) 0.586 9.379 ( -0.108 0.000 0.055) 0.122 9.389 ( -0.530 0.000 -0.277) 0.598 9.954 ( 0.036 0.000 -0.218) 0.221 9.959 ( -0.166 0.000 0.188) 0.251 10.073 ( -0.052 0.000 1.199) 1.200 10.075 ( 0.100 0.000 -1.246) 1.250 10.390 ( 2.978 0.000 1.476) 3.323 10.391 ( 3.050 0.000 -0.523) 3.094 10.483 ( -0.110 0.000 -3.077) 3.079 10.500 ( -0.877 0.000 2.969) 3.096 10.543 ( 1.017 0.000 -3.029) 3.195 10.557 ( 0.384 0.000 1.978) 2.014 10.686 ( -2.529 0.000 -3.204) 4.082 10.690 ( -3.194 0.000 2.728) 4.201 ======================= Grid point 121 (54/70) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -5.280 0.000 0.401) 5.295 0.672 ( 5.280 0.000 -0.401) 5.295 0.713 ( 1.224 0.000 -10.357) 10.429 0.713 ( -1.224 0.000 10.357) 10.429 0.804 ( 1.321 0.000 -3.215) 3.476 0.804 ( -1.321 0.000 3.215) 3.476 0.906 ( -2.667 0.000 -2.649) 3.759 0.906 ( 2.667 0.000 2.649) 3.759 1.030 ( -0.809 0.000 -0.618) 1.018 1.030 ( 0.809 0.000 0.618) 1.018 1.105 ( 7.364 0.000 -4.753) 8.765 1.105 ( -7.364 0.000 4.753) 8.765 1.228 ( 2.386 0.000 -2.841) 3.710 1.228 ( -2.386 0.000 2.841) 3.710 1.587 ( -4.039 0.000 -1.372) 4.266 1.587 ( 4.039 0.000 1.372) 4.266 1.702 ( 0.780 0.000 -0.690) 1.042 1.702 ( -0.780 0.000 0.690) 1.042 1.765 ( 6.178 0.000 -6.532) 8.990 1.765 ( -6.178 0.000 6.532) 8.990 1.960 ( -0.947 0.000 -2.228) 2.421 1.960 ( 0.947 0.000 2.228) 2.421 2.248 ( 2.600 0.000 -0.922) 2.758 2.248 ( -2.600 0.000 0.922) 2.758 2.479 ( -0.581 0.000 -4.038) 4.079 2.479 ( 0.581 0.000 4.038) 4.079 2.586 ( -3.025 0.000 -4.643) 5.541 2.586 ( 3.025 0.000 4.643) 5.541 2.646 ( 0.054 0.000 -0.174) 0.182 2.646 ( -0.054 0.000 0.174) 0.182 2.724 ( -2.842 0.000 -6.692) 7.271 2.724 ( 2.842 0.000 6.692) 7.271 2.946 ( -1.557 0.000 -0.974) 1.836 2.946 ( 1.557 0.000 0.974) 1.836 3.033 ( -1.017 0.000 -1.022) 1.442 3.033 ( 1.017 0.000 1.022) 1.442 3.268 ( -1.720 0.000 -1.613) 2.358 3.268 ( 1.720 0.000 1.613) 2.358 3.320 ( -3.285 0.000 -0.622) 3.343 3.320 ( 3.285 0.000 0.622) 3.343 4.005 ( 1.196 0.000 -1.147) 1.657 4.005 ( -1.196 0.000 1.147) 1.657 4.209 ( 0.367 0.000 -3.758) 3.776 4.209 ( -0.367 0.000 3.758) 3.776 4.866 ( 0.427 0.000 -0.584) 0.724 4.866 ( -0.427 0.000 0.584) 0.724 4.980 ( -0.705 0.000 -0.971) 1.200 4.980 ( 0.705 0.000 0.971) 1.200 5.000 ( 0.951 0.000 -2.137) 2.339 5.000 ( -0.951 0.000 2.137) 2.339 5.116 ( 0.209 0.000 -1.668) 1.681 5.116 ( -0.209 0.000 1.668) 1.681 5.251 ( 1.011 0.000 -2.115) 2.345 5.251 ( -1.011 0.000 2.115) 2.345 5.590 ( -0.241 0.000 -2.057) 2.071 5.590 ( 0.241 0.000 2.057) 2.071 9.278 ( 0.221 0.000 -0.519) 0.564 9.278 ( -0.221 0.000 0.519) 0.564 9.381 ( -0.278 0.000 -0.152) 0.317 9.381 ( 0.278 0.000 0.152) 0.317 9.956 ( 0.175 0.000 -0.203) 0.268 9.956 ( -0.175 0.000 0.203) 0.268 10.074 ( 0.062 0.000 -1.226) 1.228 10.074 ( -0.062 0.000 1.226) 1.228 10.426 ( -0.002 0.000 -0.984) 0.984 10.426 ( 0.002 0.000 0.984) 0.984 10.482 ( 1.020 0.000 -3.003) 3.171 10.482 ( -1.020 0.000 3.003) 3.171 10.560 ( 0.793 0.000 -2.549) 2.670 10.560 ( -0.793 0.000 2.549) 2.670 10.656 ( 0.440 0.000 -3.234) 3.264 10.656 ( -0.440 0.000 3.234) 3.264 ======================= Grid point 125 (55/70) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -0.464 2.588 -7.349) 7.805 0.438 ( 0.464 2.588 7.349) 7.805 0.560 ( 2.292 9.271 -7.210) 11.966 0.560 ( -2.292 9.271 7.210) 11.966 0.831 ( 0.612 -0.050 -5.046) 5.083 0.831 ( -0.612 -0.050 5.046) 5.083 0.927 ( 0.323 -0.542 -1.646) 1.763 0.927 ( -0.323 -0.542 1.646) 1.763 1.050 ( 0.814 -0.143 -7.443) 7.488 1.050 ( -0.814 -0.143 7.443) 7.488 1.117 ( -1.728 -0.349 -3.415) 3.843 1.117 ( 1.728 -0.349 3.415) 3.843 1.333 ( 0.199 -0.879 -1.678) 1.905 1.333 ( -0.199 -0.879 1.678) 1.905 1.553 ( 2.359 0.237 -5.409) 5.906 1.553 ( -2.359 0.237 5.409) 5.906 1.684 ( -1.669 -1.584 -3.523) 4.208 1.684 ( 1.669 -1.584 3.523) 4.208 1.804 ( 0.678 2.267 -4.411) 5.006 1.804 ( -0.678 2.267 4.411) 5.006 2.063 ( -1.798 -2.339 -1.640) 3.376 2.063 ( 1.798 -2.339 1.640) 3.376 2.189 ( 0.206 -6.035 -0.389) 6.051 2.189 ( -0.206 -6.035 0.389) 6.051 2.324 ( -1.189 0.181 -2.535) 2.806 2.324 ( 1.189 0.181 2.535) 2.806 2.610 ( 0.609 -0.850 -2.503) 2.713 2.610 ( -0.609 -0.850 2.503) 2.713 2.725 ( -1.987 -0.015 -1.723) 2.629 2.725 ( 1.987 -0.015 1.723) 2.629 2.848 ( -3.206 0.569 -1.082) 3.431 2.848 ( 3.206 0.569 1.082) 3.431 2.950 ( -2.046 3.343 -1.222) 4.105 2.950 ( 2.046 3.343 1.222) 4.105 3.098 ( -1.111 0.387 -2.831) 3.065 3.098 ( 1.111 0.387 2.831) 3.065 3.159 ( -1.983 0.481 -4.444) 4.890 3.159 ( 1.983 0.481 4.444) 4.890 3.393 ( -1.128 -0.582 -2.817) 3.090 3.393 ( 1.128 -0.582 2.817) 3.090 3.878 ( -0.953 0.219 -0.416) 1.063 3.878 ( 0.953 0.219 0.416) 1.063 4.238 ( 0.033 1.181 -1.024) 1.564 4.238 ( -0.033 1.181 1.024) 1.564 4.861 ( -0.202 0.369 -1.219) 1.289 4.861 ( 0.202 0.369 1.219) 1.289 4.960 ( 0.435 0.309 -0.360) 0.643 4.960 ( -0.435 0.309 0.360) 0.643 5.021 ( -0.070 -0.813 -2.874) 2.987 5.021 ( 0.070 -0.813 2.874) 2.987 5.113 ( 0.072 -0.168 -1.150) 1.164 5.113 ( -0.072 -0.168 1.150) 1.164 5.241 ( -0.703 -0.319 -2.354) 2.478 5.241 ( 0.703 -0.319 2.354) 2.478 5.580 ( 0.587 -0.226 -1.073) 1.244 5.580 ( -0.587 -0.226 1.073) 1.244 9.272 ( -0.056 -0.422 -0.523) 0.674 9.272 ( 0.056 -0.422 0.523) 0.674 9.397 ( -0.644 -0.047 -0.108) 0.655 9.397 ( 0.644 -0.047 0.108) 0.655 9.955 ( -0.151 -0.295 -0.343) 0.477 9.955 ( 0.151 -0.295 0.343) 0.477 10.075 ( 0.175 0.140 -1.127) 1.149 10.075 ( -0.175 0.140 1.127) 1.149 10.349 ( -0.535 4.019 -0.422) 4.076 10.349 ( 0.535 4.019 0.422) 4.076 10.490 ( 0.068 -0.139 -2.336) 2.341 10.490 ( -0.068 -0.139 2.336) 2.341 10.533 ( 0.163 -0.928 -1.673) 1.920 10.533 ( -0.163 -0.928 1.673) 1.920 10.745 ( 0.582 -2.660 -1.915) 3.329 10.745 ( -0.582 -2.660 1.915) 3.329 ======================= Grid point 127 (56/70) ======================= q-point: ( 0.17 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 4.510 2.373 -6.421) 8.197 0.514 ( 4.211 2.823 4.920) 7.065 0.563 ( 5.123 5.211 3.486) 8.097 0.671 ( 6.422 6.688 -4.886) 10.481 0.836 ( -0.801 0.838 3.928) 4.096 0.851 ( 0.739 2.080 -2.924) 3.664 0.878 ( 1.182 -0.888 -2.063) 2.538 0.949 ( -0.168 -0.591 -0.535) 0.814 1.001 ( -4.412 -2.088 1.528) 5.115 1.086 ( 1.725 0.415 -9.692) 9.853 1.088 ( -0.186 0.492 4.570) 4.600 1.143 ( -0.410 0.258 5.285) 5.307 1.266 ( -4.685 -0.299 1.676) 4.985 1.336 ( -0.678 -3.184 0.909) 3.380 1.528 ( -1.355 3.217 2.077) 4.062 1.597 ( 2.871 -1.466 -6.012) 6.822 1.656 ( 0.144 -0.714 -2.736) 2.831 1.710 ( 0.437 -1.671 1.007) 1.999 1.812 ( -0.492 3.496 4.904) 6.043 1.822 ( 1.476 -1.454 -0.775) 2.213 1.958 ( -5.137 -0.786 -0.394) 5.212 2.075 ( -3.208 -0.783 -2.195) 3.965 2.154 ( -1.657 -5.410 0.265) 5.664 2.202 ( 0.625 -9.195 0.862) 9.257 2.337 ( 2.218 -1.081 0.098) 2.469 2.381 ( 3.166 0.434 4.836) 5.797 2.595 ( -0.243 -0.740 0.303) 0.835 2.635 ( 0.715 -0.033 -1.087) 1.302 2.677 ( -2.510 0.910 -1.593) 3.109 2.735 ( -1.886 1.378 2.152) 3.176 2.808 ( 1.163 -0.655 0.992) 1.663 2.857 ( -5.570 3.611 1.188) 6.744 2.923 ( 2.974 0.404 0.619) 3.064 2.941 ( -3.410 1.570 -1.383) 4.001 3.080 ( -2.170 0.336 -1.157) 2.482 3.116 ( 3.437 0.359 -2.364) 4.187 3.130 ( -1.181 1.052 0.091) 1.584 3.221 ( 2.930 1.558 0.761) 3.404 3.359 ( -1.491 -1.210 -2.541) 3.185 3.399 ( -0.932 0.252 0.921) 1.334 3.897 ( 2.693 -0.194 -0.438) 2.735 3.931 ( 3.781 0.090 1.285) 3.995 4.230 ( -0.581 0.958 -0.219) 1.142 4.236 ( -0.338 1.224 0.271) 1.298 4.859 ( 0.136 0.431 -0.906) 1.013 4.869 ( 0.304 0.290 1.267) 1.335 4.954 ( -0.159 0.070 0.213) 0.275 4.971 ( 0.671 0.400 -0.645) 1.013 5.010 ( -0.531 -0.788 -1.498) 1.774 5.026 ( -0.230 -0.606 1.753) 1.869 5.112 ( 0.123 -0.160 -1.222) 1.239 5.114 ( -0.062 -0.137 1.239) 1.248 5.228 ( -0.011 -0.027 -2.021) 2.021 5.256 ( 0.268 -0.538 2.304) 2.381 5.574 ( -0.119 -0.128 0.738) 0.759 5.589 ( 0.488 -0.400 -1.690) 1.804 9.271 ( 0.075 -0.202 -0.351) 0.412 9.274 ( 0.052 -0.499 0.555) 0.749 9.386 ( -0.397 0.093 -0.182) 0.447 9.404 ( 0.016 0.243 -0.100) 0.263 9.950 ( -0.071 -0.372 -0.024) 0.380 9.962 ( 0.194 0.024 0.016) 0.196 10.073 ( -0.119 0.067 0.712) 0.725 10.076 ( 0.112 0.169 -0.691) 0.720 10.347 ( 1.030 2.833 0.107) 3.016 10.385 ( 2.197 2.997 0.017) 3.716 10.488 ( 0.096 0.034 -1.815) 1.818 10.496 ( 0.210 -0.227 1.709) 1.737 10.529 ( 0.071 -0.833 -0.270) 0.878 10.541 ( 0.592 -0.579 -0.046) 0.829 10.714 ( -2.461 -2.234 1.045) 3.485 10.731 ( -1.839 -1.948 -1.406) 3.026 ======================= Grid point 128 (57/70) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 6.845 2.083 -6.218) 9.480 0.626 ( 6.650 -0.262 5.552) 8.667 0.708 ( 6.913 2.918 0.501) 7.521 0.728 ( 1.849 3.164 -9.601) 10.276 0.779 ( -3.195 0.841 6.969) 7.713 0.870 ( -6.353 -3.016 3.933) 8.058 0.900 ( -0.229 0.836 -1.157) 1.446 0.951 ( 1.577 0.864 3.639) 4.059 0.971 ( 5.499 3.329 -4.883) 8.073 1.060 ( -2.485 0.425 -1.326) 2.848 1.075 ( -2.029 0.115 -7.110) 7.395 1.140 ( -1.053 -1.464 5.320) 5.617 1.208 ( -0.331 -0.075 1.571) 1.607 1.313 ( -2.905 -1.443 1.683) 3.654 1.515 ( 0.701 0.745 1.730) 2.010 1.627 ( 0.650 -0.843 -4.106) 4.242 1.692 ( 3.532 0.586 -2.806) 4.549 1.711 ( -0.292 -0.233 -0.901) 0.975 1.745 ( -4.766 -0.175 1.467) 4.989 1.844 ( -0.455 -0.718 0.884) 1.226 1.928 ( 0.829 0.550 2.607) 2.791 1.988 ( -4.089 -0.047 -0.676) 4.144 2.136 ( -0.208 -7.889 0.064) 7.892 2.197 ( -1.649 -9.026 0.080) 9.175 2.394 ( 3.613 -2.838 -1.261) 4.764 2.438 ( 1.383 -0.295 5.968) 6.133 2.594 ( -0.166 0.814 -0.059) 0.833 2.609 ( -1.885 -0.330 -0.129) 1.918 2.658 ( 0.568 2.525 -1.944) 3.237 2.716 ( -0.036 2.507 3.035) 3.937 2.754 ( -5.085 3.270 0.634) 6.079 2.817 ( -2.240 0.003 -3.259) 3.955 2.907 ( 1.727 1.192 0.012) 2.099 2.960 ( 0.757 0.372 -0.126) 0.853 3.045 ( -1.125 0.697 -0.096) 1.327 3.083 ( -2.953 0.557 0.633) 3.071 3.195 ( 4.147 -1.204 -0.272) 4.327 3.274 ( 2.779 3.126 -0.427) 4.205 3.319 ( -2.354 -1.463 -2.004) 3.420 3.373 ( -1.838 0.781 0.210) 2.008 3.957 ( 3.278 -0.290 -0.649) 3.354 3.995 ( 2.090 -0.025 1.317) 2.470 4.218 ( -0.497 0.668 0.314) 0.890 4.227 ( -0.578 1.089 -0.122) 1.239 4.863 ( 0.391 0.427 -0.605) 0.837 4.874 ( -0.088 0.343 0.871) 0.940 4.958 ( 0.512 -0.347 0.446) 0.763 4.982 ( 0.380 0.080 -0.658) 0.763 4.998 ( -0.306 -0.408 -1.214) 1.317 5.019 ( -0.781 -0.090 1.216) 1.448 5.113 ( 0.228 -0.114 -1.397) 1.420 5.115 ( -0.089 -0.086 1.434) 1.439 5.233 ( 0.786 -0.154 -1.756) 1.930 5.258 ( -0.520 -0.498 2.150) 2.268 5.578 ( 0.282 -0.228 1.169) 1.224 5.591 ( 0.094 -0.431 -1.905) 1.955 9.273 ( 0.186 -0.101 -0.315) 0.380 9.275 ( -0.012 -0.358 0.549) 0.656 9.383 ( 0.110 0.337 -0.114) 0.373 9.398 ( -0.518 0.575 -0.190) 0.797 9.952 ( 0.271 -0.108 0.012) 0.292 9.962 ( -0.115 0.236 -0.017) 0.263 10.073 ( -0.014 0.024 0.690) 0.690 10.076 ( 0.011 0.129 -0.664) 0.677 10.381 ( 2.194 0.689 0.206) 2.309 10.419 ( 1.067 0.600 0.120) 1.230 10.487 ( 0.132 0.589 -1.273) 1.409 10.499 ( -0.319 -0.046 1.220) 1.262 10.539 ( 1.070 -0.326 -0.496) 1.224 10.554 ( 0.669 -0.247 0.053) 0.715 10.669 ( -2.112 -1.197 0.600) 2.501 10.683 ( -2.578 -1.022 -0.990) 2.945 ======================= Grid point 129 (58/70) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 6.599 -0.661 -3.951) 7.720 0.687 ( -6.599 -0.661 3.951) 7.720 0.726 ( -0.136 2.594 -10.273) 10.597 0.726 ( 0.136 2.594 10.273) 10.597 0.799 ( -3.725 0.251 -3.571) 5.166 0.799 ( 3.725 0.251 3.571) 5.166 0.913 ( -4.673 1.546 -1.506) 5.148 0.913 ( 4.673 1.546 1.506) 5.148 1.028 ( -0.066 -0.571 -1.561) 1.663 1.028 ( 0.066 -0.571 1.561) 1.663 1.102 ( 0.164 -0.828 -4.793) 4.867 1.102 ( -0.164 -0.828 4.793) 4.867 1.242 ( 1.857 1.188 -2.291) 3.179 1.242 ( -1.857 1.188 2.291) 3.179 1.572 ( -3.932 -1.135 -2.889) 5.009 1.572 ( 3.932 -1.135 2.889) 5.009 1.703 ( 0.220 -0.148 -1.274) 1.301 1.703 ( -0.220 -0.148 1.274) 1.301 1.785 ( 4.925 1.466 -2.882) 5.891 1.785 ( -4.925 1.466 2.882) 5.891 1.949 ( -0.537 -0.803 -2.077) 2.291 1.949 ( 0.537 -0.803 2.077) 2.291 2.154 ( -2.012 -8.699 -0.411) 8.938 2.154 ( 2.012 -8.699 0.411) 8.938 2.446 ( 1.738 -2.656 -5.118) 6.022 2.446 ( -1.738 -2.656 5.118) 6.022 2.590 ( -0.221 1.306 -0.916) 1.610 2.590 ( 0.221 1.306 0.916) 1.610 2.682 ( 0.707 2.251 -4.668) 5.230 2.682 ( -0.707 2.251 4.668) 5.230 2.752 ( -2.315 2.647 -4.723) 5.888 2.752 ( 2.315 2.647 4.723) 5.888 2.952 ( -1.538 0.384 -0.747) 1.752 2.952 ( 1.538 0.384 0.747) 1.752 3.042 ( 0.002 0.620 -1.734) 1.842 3.042 ( -0.002 0.620 1.734) 1.842 3.264 ( -2.316 -1.125 -2.285) 3.442 3.264 ( 2.316 -1.125 2.285) 3.442 3.329 ( 0.148 1.646 -0.553) 1.743 3.329 ( -0.148 1.646 0.553) 1.743 4.003 ( 0.521 -0.085 -0.875) 1.022 4.003 ( -0.521 -0.085 0.875) 1.022 4.217 ( 0.225 0.763 -3.133) 3.233 4.217 ( -0.225 0.763 3.133) 3.233 4.870 ( 0.416 0.407 -0.539) 0.794 4.870 ( -0.416 0.407 0.539) 0.794 4.972 ( -0.827 -0.634 -0.617) 1.211 4.972 ( 0.827 -0.634 0.617) 1.211 5.004 ( 0.582 0.277 -1.616) 1.739 5.004 ( -0.582 0.277 1.616) 1.739 5.115 ( 0.199 -0.069 -1.511) 1.525 5.115 ( -0.199 -0.069 1.511) 1.525 5.247 ( 0.853 -0.369 -2.041) 2.243 5.247 ( -0.853 -0.369 2.041) 2.243 5.586 ( -0.190 -0.356 -1.786) 1.831 5.586 ( 0.190 -0.356 1.786) 1.831 9.275 ( 0.106 -0.179 -0.558) 0.596 9.275 ( -0.106 -0.179 0.558) 0.596 9.388 ( -0.204 0.543 -0.323) 0.664 9.388 ( 0.204 0.543 0.323) 0.664 9.958 ( -0.154 0.179 -0.147) 0.278 9.958 ( 0.154 0.179 0.147) 0.278 10.075 ( 0.050 0.059 -1.121) 1.123 10.075 ( -0.050 0.059 1.121) 1.123 10.417 ( -0.945 -0.619 -0.561) 1.262 10.417 ( 0.945 -0.619 0.561) 1.262 10.491 ( 0.324 0.752 -2.807) 2.924 10.491 ( -0.324 0.752 2.807) 2.924 10.558 ( 0.257 -0.215 -2.864) 2.884 10.558 ( -0.257 -0.215 2.864) 2.884 10.649 ( 0.224 -0.624 -3.045) 3.116 10.649 ( -0.224 -0.624 3.045) 3.116 ======================= Grid point 133 (59/70) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -1.087 3.963 -4.681) 6.229 0.506 ( 1.087 3.963 4.681) 6.229 0.713 ( 1.975 4.707 -4.875) 7.059 0.713 ( -1.975 4.707 4.875) 7.059 0.821 ( 1.435 -0.874 -8.834) 8.992 0.821 ( -1.435 -0.874 8.834) 8.992 0.936 ( -2.523 1.576 0.391) 3.000 0.936 ( 2.523 1.576 -0.391) 3.000 1.032 ( 0.842 -1.870 -1.545) 2.568 1.032 ( -0.842 -1.870 1.545) 2.568 1.132 ( -0.561 2.554 -7.918) 8.339 1.132 ( 0.561 2.554 7.918) 8.339 1.332 ( -0.703 0.681 -2.015) 2.240 1.332 ( 0.703 0.681 2.015) 2.240 1.535 ( -1.817 -1.997 -3.223) 4.205 1.535 ( 1.817 -1.997 3.223) 4.205 1.619 ( -1.034 -4.804 -4.913) 6.949 1.619 ( 1.034 -4.804 4.913) 6.949 1.838 ( -3.126 0.777 -4.706) 5.703 1.838 ( 3.126 0.777 4.706) 5.703 2.020 ( -0.768 -1.830 -3.131) 3.707 2.020 ( 0.768 -1.830 3.131) 3.707 2.072 ( -2.693 -4.222 -3.326) 6.011 2.072 ( 2.693 -4.222 3.326) 6.011 2.366 ( -2.225 2.774 -3.514) 4.999 2.366 ( 2.225 2.774 3.514) 4.999 2.560 ( 0.245 -2.956 -4.387) 5.296 2.560 ( -0.245 -2.956 4.387) 5.296 2.728 ( -1.760 0.216 -2.507) 3.071 2.728 ( 1.760 0.216 2.507) 3.071 2.853 ( -2.704 -0.133 -0.896) 2.852 2.853 ( 2.704 -0.133 0.896) 2.852 3.019 ( -0.137 3.092 -2.371) 3.898 3.019 ( 0.137 3.092 2.371) 3.898 3.081 ( 0.394 -1.783 -3.961) 4.361 3.081 ( -0.394 -1.783 3.961) 4.361 3.200 ( 2.276 2.905 -4.428) 5.764 3.200 ( -2.276 2.905 4.428) 5.764 3.386 ( -1.634 -0.056 -0.704) 1.780 3.386 ( 1.634 -0.056 0.704) 1.780 3.881 ( -0.953 0.095 -0.295) 1.002 3.881 ( 0.953 0.095 0.295) 1.002 4.266 ( 0.033 1.557 -0.588) 1.665 4.266 ( -0.033 1.557 0.588) 1.665 4.870 ( -0.086 0.541 -0.718) 0.903 4.870 ( 0.086 0.541 0.718) 0.903 4.968 ( 0.353 0.347 -0.616) 0.790 4.968 ( -0.353 0.347 0.616) 0.790 5.001 ( 0.127 -1.100 -2.851) 3.059 5.001 ( -0.127 -1.100 2.851) 3.059 5.109 ( 0.015 -0.234 -0.786) 0.820 5.109 ( -0.015 -0.234 0.786) 0.820 5.234 ( -0.302 -0.350 -1.822) 1.879 5.234 ( 0.302 -0.350 1.822) 1.879 5.575 ( 0.320 -0.285 -0.695) 0.816 5.575 ( -0.320 -0.285 0.695) 0.816 9.267 ( 0.010 0.013 -0.352) 0.352 9.267 ( -0.010 0.013 0.352) 0.352 9.398 ( -0.467 0.106 -0.353) 0.595 9.398 ( 0.467 0.106 0.353) 0.595 9.953 ( -0.106 0.082 -0.354) 0.379 9.953 ( 0.106 0.082 0.354) 0.379 10.077 ( 0.120 0.042 -0.974) 0.983 10.077 ( -0.120 0.042 0.974) 0.983 10.401 ( 0.113 -0.163 -0.486) 0.525 10.401 ( -0.113 -0.163 0.486) 0.525 10.497 ( 0.210 1.035 -1.579) 1.900 10.497 ( -0.210 1.035 1.579) 1.900 10.522 ( 0.800 0.536 -1.544) 1.820 10.522 ( -0.800 0.536 1.544) 1.820 10.694 ( 0.671 -2.177 -2.249) 3.201 10.694 ( -0.671 -2.177 2.249) 3.201 ======================= Grid point 135 (60/70) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 3.852 2.920 -2.517) 5.450 0.595 ( 4.636 4.975 1.691) 7.007 0.673 ( 0.451 4.569 -0.545) 4.623 0.755 ( 2.587 1.713 -5.118) 5.986 0.822 ( -0.761 -2.852 6.078) 6.757 0.864 ( -0.946 0.235 -0.024) 0.975 0.907 ( 3.119 2.292 1.788) 4.263 0.945 ( -1.562 0.954 1.401) 2.305 0.998 ( -0.313 1.192 -1.375) 1.846 1.077 ( 1.203 -1.992 -1.027) 2.543 1.106 ( 0.405 1.871 -7.189) 7.439 1.159 ( -0.037 1.833 3.781) 4.202 1.278 ( -3.737 0.726 1.021) 3.941 1.284 ( -4.761 -0.553 1.502) 5.023 1.535 ( 1.310 -5.470 0.529) 5.649 1.583 ( 1.299 1.742 -0.995) 2.390 1.623 ( 2.916 -2.647 -2.452) 4.639 1.656 ( 1.782 -4.028 1.698) 4.720 1.760 ( -3.643 -2.402 -3.353) 5.503 1.886 ( 0.222 3.030 4.347) 5.303 1.972 ( -2.781 1.476 -4.387) 5.400 1.996 ( -3.506 -6.988 -1.310) 7.927 2.025 ( -0.990 -4.965 -0.063) 5.063 2.083 ( -2.116 -3.446 2.248) 4.627 2.338 ( -0.136 0.478 -1.369) 1.457 2.415 ( 1.726 2.439 5.390) 6.163 2.558 ( 0.590 -1.568 1.344) 2.148 2.601 ( 2.447 -2.293 1.246) 3.577 2.695 ( -0.717 0.458 -3.058) 3.174 2.757 ( 0.294 0.915 2.824) 2.983 2.808 ( -0.840 0.577 0.011) 1.019 2.912 ( 2.125 -0.092 0.205) 2.137 2.963 ( -3.672 4.389 -2.118) 6.102 2.975 ( -3.291 1.695 -1.117) 3.867 3.066 ( -0.963 -1.360 -1.395) 2.173 3.111 ( 1.345 -1.192 -0.069) 1.799 3.154 ( -1.840 1.822 3.327) 4.216 3.266 ( 3.314 1.796 -2.840) 4.719 3.347 ( -1.826 0.465 -0.218) 1.897 3.407 ( 0.295 0.607 0.509) 0.845 3.898 ( 2.474 0.205 -0.187) 2.489 3.930 ( 3.565 -0.212 0.590) 3.620 4.255 ( -0.915 1.436 0.086) 1.705 4.264 ( -0.425 1.468 -0.089) 1.531 4.870 ( 0.178 0.698 -0.579) 0.924 4.876 ( 0.289 0.352 0.722) 0.854 4.958 ( -0.487 0.388 0.342) 0.710 4.975 ( 0.189 -0.325 -0.391) 0.543 4.993 ( -0.078 -0.456 -0.783) 0.909 5.010 ( 0.260 -1.060 0.608) 1.250 5.108 ( 0.063 -0.294 -0.573) 0.647 5.111 ( 0.051 -0.180 0.665) 0.691 5.228 ( 0.031 -0.046 -1.399) 1.400 5.243 ( 0.171 -0.692 1.769) 1.907 5.571 ( -0.101 -0.173 0.451) 0.493 5.580 ( 0.282 -0.463 -0.948) 1.092 9.268 ( 0.117 -0.078 0.016) 0.141 9.270 ( 0.168 0.120 0.274) 0.343 9.389 ( -0.225 0.242 -0.375) 0.499 9.406 ( 0.208 -0.043 0.043) 0.217 9.947 ( -0.030 0.106 0.086) 0.140 9.962 ( 0.410 0.065 -0.065) 0.420 10.074 ( -0.124 0.010 0.241) 0.271 10.079 ( 0.073 0.057 -0.177) 0.200 10.400 ( 0.064 0.780 0.121) 0.792 10.406 ( 0.303 -0.888 -0.234) 0.967 10.498 ( 0.086 0.812 1.134) 1.397 10.500 ( 0.345 0.840 -1.532) 1.781 10.517 ( 0.039 -0.072 1.964) 1.965 10.538 ( 1.089 0.791 -1.466) 1.990 10.674 ( -1.599 -1.618 1.947) 2.995 10.688 ( -0.917 -2.045 -2.216) 3.152 ======================= Grid point 136 (61/70) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 5.153 3.001 -5.993) 8.454 0.634 ( 2.869 1.463 3.974) 5.115 0.746 ( 0.791 1.000 -5.685) 5.827 0.780 ( 1.369 -0.131 2.977) 3.279 0.818 ( 2.804 3.784 1.437) 4.924 0.839 ( -1.035 0.908 4.161) 4.383 0.931 ( 0.011 2.026 -1.507) 2.525 0.971 ( -0.049 1.307 3.963) 4.173 1.009 ( 2.918 -0.245 -0.315) 2.946 1.056 ( -2.026 -0.568 -3.086) 3.735 1.094 ( -2.368 1.839 -6.144) 6.837 1.117 ( -4.266 -0.139 3.012) 5.224 1.221 ( 0.138 0.043 -0.738) 0.752 1.252 ( -0.399 -3.333 3.528) 4.870 1.541 ( -0.559 0.168 1.170) 1.308 1.613 ( 0.990 0.012 -4.089) 4.207 1.648 ( -0.257 -5.466 1.144) 5.590 1.691 ( 1.412 -0.953 -0.625) 1.815 1.727 ( 1.883 -1.768 -2.379) 3.511 1.851 ( -3.306 0.752 1.542) 3.724 1.937 ( -1.972 -6.946 -0.684) 7.253 1.947 ( -0.372 0.613 -0.233) 0.754 1.991 ( -1.920 -3.469 -0.872) 4.060 2.029 ( -3.194 -5.931 1.889) 6.996 2.351 ( 1.876 -1.654 -2.601) 3.608 2.436 ( -1.110 -0.135 5.362) 5.478 2.583 ( 1.548 -0.427 3.471) 3.825 2.623 ( -0.131 0.949 1.438) 1.728 2.701 ( 1.658 1.793 -4.435) 5.063 2.765 ( 0.341 2.310 3.594) 4.286 2.799 ( -1.225 1.047 -0.956) 1.874 2.872 ( -3.139 5.152 -2.735) 6.623 2.930 ( -0.146 1.064 -1.024) 1.484 2.961 ( 0.870 -0.322 0.682) 1.152 3.047 ( -0.621 -0.247 -0.996) 1.200 3.088 ( -2.676 -0.250 1.843) 3.259 3.173 ( 2.428 -0.899 0.033) 2.589 3.275 ( -1.850 -2.393 -2.071) 3.665 3.347 ( 1.766 3.509 -0.271) 3.937 3.402 ( -0.849 1.795 0.604) 2.076 3.957 ( 3.327 0.261 -0.206) 3.344 3.993 ( 2.365 -0.158 0.584) 2.441 4.237 ( -0.770 1.133 0.298) 1.401 4.251 ( -0.889 1.189 -0.274) 1.509 4.875 ( 0.355 0.741 -0.409) 0.918 4.881 ( 0.115 0.375 0.559) 0.683 4.953 ( -0.036 0.008 0.334) 0.336 4.971 ( -0.514 -0.961 -0.360) 1.148 4.998 ( 0.538 0.197 -0.793) 0.978 5.012 ( -0.161 -0.668 0.569) 0.892 5.109 ( 0.216 -0.320 -0.789) 0.879 5.112 ( -0.040 -0.207 0.902) 0.927 5.230 ( 0.466 -0.121 -1.269) 1.357 5.245 ( -0.329 -0.693 1.612) 1.786 5.573 ( 0.168 -0.264 0.635) 0.708 5.581 ( 0.046 -0.512 -1.064) 1.182 9.271 ( 0.176 -0.065 0.041) 0.192 9.273 ( 0.101 0.114 0.243) 0.286 9.389 ( 0.229 0.235 -0.232) 0.401 9.404 ( -0.338 0.031 -0.075) 0.348 9.952 ( 0.450 0.060 0.098) 0.465 9.966 ( -0.046 0.080 -0.080) 0.123 10.073 ( 0.033 -0.011 0.249) 0.251 10.078 ( -0.089 0.042 -0.187) 0.211 10.404 ( 0.327 0.765 -0.034) 0.832 10.410 ( 0.149 -0.903 -0.110) 0.921 10.503 ( 0.083 0.574 1.631) 1.731 10.504 ( 0.374 0.638 -1.966) 2.101 10.530 ( 0.895 -0.388 2.348) 2.542 10.553 ( 0.721 0.320 -1.799) 1.964 10.647 ( -1.395 -0.930 1.803) 2.462 10.657 ( -1.574 -1.336 -2.146) 2.978 ======================= Grid point 137 (62/70) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.811 -0.483 -4.444) 4.543 0.663 ( -0.811 -0.483 4.444) 4.543 0.780 ( 4.178 2.178 -6.800) 8.273 0.780 ( -4.178 2.178 6.800) 8.273 0.835 ( -2.979 3.102 -1.160) 4.454 0.835 ( 2.979 3.101 1.160) 4.454 0.977 ( -5.536 4.496 -0.008) 7.132 0.977 ( 5.536 4.496 0.008) 7.132 1.004 ( -1.342 -1.577 -1.904) 2.813 1.004 ( 1.342 -1.577 1.904) 2.813 1.072 ( -0.138 -1.854 -4.951) 5.288 1.072 ( 0.138 -1.854 4.951) 5.288 1.243 ( 1.370 -1.780 -2.905) 3.672 1.243 ( -1.370 -1.780 2.905) 3.672 1.560 ( -1.583 0.045 -5.249) 5.483 1.560 ( 1.583 0.045 5.249) 5.483 1.689 ( -1.646 -1.413 -2.028) 2.970 1.689 ( 1.646 -1.413 2.028) 2.970 1.784 ( 1.424 -2.810 -4.141) 5.203 1.784 ( -1.424 -2.810 4.141) 5.203 1.929 ( 1.067 -2.368 -1.465) 2.982 1.929 ( -1.067 -2.368 1.465) 2.982 1.985 ( 0.492 -5.042 -2.670) 5.726 1.985 ( -0.492 -5.042 2.670) 5.726 2.397 ( 2.264 -1.975 -6.191) 6.881 2.397 ( -2.264 -1.975 6.191) 6.881 2.616 ( -0.806 0.805 -1.722) 2.064 2.616 ( 0.806 0.805 1.722) 2.064 2.735 ( 1.336 3.170 -3.139) 4.657 2.735 ( -1.336 3.170 3.139) 4.657 2.815 ( -2.107 3.540 -3.172) 5.200 2.815 ( 2.107 3.540 3.172) 5.200 2.955 ( -0.174 -0.107 -0.514) 0.553 2.955 ( 0.174 -0.107 0.514) 0.553 3.050 ( 0.521 0.216 -1.710) 1.801 3.050 ( -0.521 0.216 1.710) 1.801 3.225 ( -2.318 -2.363 -1.028) 3.466 3.225 ( 2.318 -2.363 1.028) 3.466 3.380 ( 1.430 2.864 -0.630) 3.263 3.380 ( -1.430 2.864 0.630) 3.263 4.004 ( -0.281 0.209 -0.502) 0.613 4.004 ( 0.281 0.209 0.502) 0.613 4.235 ( 0.010 0.948 -1.962) 2.179 4.235 ( -0.010 0.948 1.962) 2.179 4.880 ( 0.283 0.623 -0.370) 0.778 4.880 ( -0.283 0.623 0.370) 0.778 4.959 ( -0.511 -0.603 -0.422) 0.896 4.959 ( 0.511 -0.603 0.422) 0.896 5.006 ( 0.291 -0.142 -1.398) 1.435 5.006 ( -0.291 -0.142 1.398) 1.435 5.112 ( 0.201 -0.285 -1.120) 1.173 5.112 ( -0.201 -0.285 1.120) 1.173 5.238 ( 0.512 -0.423 -1.713) 1.837 5.238 ( -0.512 -0.423 1.713) 1.837 5.578 ( -0.086 -0.425 -1.184) 1.261 5.578 ( 0.086 -0.425 1.184) 1.261 9.274 ( 0.053 0.021 -0.446) 0.450 9.274 ( -0.053 0.021 0.446) 0.450 9.396 ( -0.134 0.164 -0.340) 0.400 9.396 ( 0.134 0.164 0.340) 0.400 9.961 ( -0.393 0.058 -0.118) 0.415 9.961 ( 0.393 0.058 0.118) 0.415 10.076 ( 0.035 0.006 -0.868) 0.869 10.076 ( -0.035 0.006 0.868) 0.869 10.409 ( -0.053 -0.159 -0.095) 0.193 10.409 ( 0.053 -0.159 0.095) 0.193 10.505 ( 0.161 0.586 -1.829) 1.927 10.505 ( -0.161 0.586 1.829) 1.927 10.552 ( -0.549 -0.342 -2.389) 2.475 10.552 ( 0.549 -0.342 2.389) 2.475 10.635 ( 0.089 -0.709 -2.435) 2.538 10.635 ( -0.089 -0.709 2.435) 2.538 ======================= Grid point 141 (63/70) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -0.612 3.829 -2.997) 4.901 0.584 ( 0.612 3.829 2.997) 4.901 0.728 ( 0.970 -2.481 -6.866) 7.365 0.728 ( -0.970 -2.481 6.866) 7.365 0.816 ( -1.261 0.598 -6.409) 6.559 0.816 ( 1.261 0.598 6.409) 6.559 0.949 ( -1.141 -0.670 -0.605) 1.454 0.949 ( 1.141 -0.670 0.605) 1.454 1.021 ( 0.053 1.174 -0.300) 1.212 1.021 ( -0.053 1.174 0.300) 1.212 1.196 ( -0.168 3.082 -2.868) 4.214 1.196 ( 0.168 3.082 2.868) 4.214 1.322 ( -1.586 -2.947 -1.406) 3.630 1.322 ( 1.586 -2.947 1.406) 3.630 1.496 ( -5.990 -0.079 -0.589) 6.020 1.496 ( 5.990 -0.079 0.589) 6.020 1.547 ( -0.180 -2.052 -4.685) 5.118 1.547 ( 0.180 -2.052 4.685) 5.118 1.833 ( -2.328 -1.477 -1.565) 3.170 1.833 ( 2.328 -1.477 1.565) 3.170 1.957 ( -0.932 -2.341 -1.938) 3.178 1.957 ( 0.932 -2.341 1.938) 3.178 2.073 ( -0.103 1.990 -3.599) 4.113 2.073 ( 0.103 1.990 3.599) 4.113 2.357 ( -2.902 -3.504 -3.019) 5.460 2.357 ( 2.902 -3.504 3.019) 5.460 2.568 ( 1.467 3.498 -2.995) 4.833 2.568 ( -1.467 3.498 2.995) 4.833 2.733 ( -1.317 0.285 -2.190) 2.572 2.733 ( 1.317 0.285 2.190) 2.572 2.841 ( -2.189 -1.011 -0.515) 2.465 2.841 ( 2.189 -1.011 0.515) 2.465 3.030 ( 0.704 -2.170 -2.259) 3.211 3.030 ( -0.704 -2.170 2.259) 3.211 3.072 ( -0.285 1.443 -2.487) 2.889 3.072 ( 0.285 1.443 2.487) 2.889 3.255 ( 2.774 2.439 -2.488) 4.454 3.255 ( -2.774 2.439 2.488) 4.454 3.387 ( 0.540 -0.005 -0.901) 1.051 3.387 ( -0.540 -0.005 0.901) 1.051 3.882 ( -0.564 -0.018 -0.156) 0.585 3.882 ( 0.564 -0.018 0.156) 0.585 4.293 ( 0.024 1.044 -0.248) 1.074 4.293 ( -0.024 1.044 0.248) 1.074 4.882 ( 0.097 0.605 -0.207) 0.647 4.882 ( -0.097 0.605 0.207) 0.647 4.962 ( 0.009 -0.920 -0.511) 1.052 4.962 ( -0.009 -0.920 0.511) 1.052 4.991 ( -0.026 0.172 -1.137) 1.150 4.991 ( 0.026 0.172 1.137) 1.150 5.105 ( -0.046 -0.098 -0.364) 0.379 5.105 ( 0.046 -0.098 0.364) 0.379 5.228 ( -0.056 -0.294 -0.961) 1.006 5.228 ( 0.056 -0.294 0.961) 1.006 5.570 ( 0.125 -0.187 -0.338) 0.406 5.570 ( -0.125 -0.187 0.338) 0.406 9.270 ( -0.076 0.221 -0.265) 0.353 9.270 ( 0.076 0.221 0.265) 0.353 9.400 ( -0.236 0.100 -0.361) 0.443 9.400 ( 0.236 0.100 0.361) 0.443 9.958 ( -0.037 0.391 -0.195) 0.438 9.958 ( 0.037 0.391 0.195) 0.438 10.077 ( 0.042 0.020 -0.591) 0.593 10.077 ( -0.042 0.020 0.591) 0.593 10.364 ( -0.337 -2.285 -0.310) 2.330 10.364 ( 0.337 -2.285 0.310) 2.330 10.502 ( -0.010 -0.082 -0.514) 0.521 10.502 ( 0.010 -0.082 0.514) 0.521 10.559 ( 0.322 1.912 -0.494) 2.001 10.559 ( -0.322 1.912 0.494) 2.001 10.666 ( 0.360 -0.680 -1.320) 1.527 10.666 ( -0.360 -0.680 1.320) 1.527 ======================= Grid point 143 (64/70) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 2.452 3.364 -0.725) 4.226 0.687 ( 6.483 2.802 -1.321) 7.186 0.724 ( -0.720 0.215 6.264) 6.309 0.753 ( 2.731 -1.130 -3.720) 4.751 0.773 ( -0.829 0.093 -4.637) 4.711 0.869 ( 1.048 -0.339 2.579) 2.804 0.935 ( 1.210 0.744 0.090) 1.424 0.965 ( -0.072 0.368 2.007) 2.042 1.009 ( 0.107 -0.259 0.463) 0.541 1.041 ( 0.749 -0.501 -0.980) 1.332 1.153 ( -2.165 2.177 -1.646) 3.484 1.201 ( -1.495 1.327 -0.136) 2.003 1.264 ( -4.608 0.149 -0.287) 4.619 1.337 ( -2.849 2.512 0.841) 3.891 1.385 ( -1.439 -6.657 -0.847) 6.863 1.539 ( 1.366 -6.715 0.478) 6.869 1.584 ( 2.962 0.120 -1.494) 3.320 1.622 ( 4.324 0.882 1.871) 4.794 1.771 ( -3.258 2.272 -1.588) 4.278 1.871 ( -0.743 -3.455 -0.837) 3.631 1.904 ( -2.009 -2.359 -0.921) 3.232 1.939 ( -2.954 -3.571 0.528) 4.664 2.013 ( -4.061 1.992 -0.576) 4.559 2.059 ( -2.735 0.552 0.738) 2.886 2.322 ( -0.159 -1.311 -2.840) 3.132 2.414 ( 1.639 -3.615 3.083) 5.026 2.561 ( 0.279 2.884 4.422) 5.287 2.614 ( 2.813 2.331 0.967) 3.779 2.706 ( 0.070 1.141 -2.368) 2.630 2.768 ( 1.409 0.061 1.164) 1.828 2.820 ( 0.017 0.696 0.805) 1.064 2.893 ( 2.634 -1.677 1.354) 3.403 2.993 ( -2.480 -0.096 -1.006) 2.678 3.008 ( -1.992 -0.612 -4.556) 5.010 3.059 ( -0.448 1.144 -1.120) 1.663 3.088 ( 0.058 -0.642 1.070) 1.249 3.200 ( -3.000 2.688 2.760) 4.883 3.274 ( -1.000 -0.543 -0.983) 1.504 3.376 ( 0.902 1.853 0.051) 2.062 3.416 ( 1.284 0.091 -0.536) 1.394 3.904 ( 2.693 0.430 -0.063) 2.728 3.923 ( 3.361 -0.428 0.256) 3.398 4.281 ( -1.030 1.122 0.063) 1.525 4.288 ( -0.670 0.841 -0.104) 1.080 4.883 ( 0.113 0.474 0.193) 0.524 4.885 ( 0.231 0.609 -0.197) 0.680 4.958 ( -0.233 -0.912 -0.046) 0.943 4.963 ( -0.165 -0.228 0.307) 0.417 4.990 ( 0.223 -0.320 -0.956) 1.033 4.995 ( 0.159 0.045 0.586) 0.609 5.103 ( -0.056 -0.119 -0.245) 0.278 5.107 ( 0.013 -0.200 0.349) 0.402 5.226 ( 0.120 -0.080 -0.757) 0.771 5.231 ( 0.104 -0.471 0.927) 1.045 5.568 ( -0.054 -0.094 0.189) 0.218 5.572 ( 0.114 -0.308 -0.385) 0.506 9.270 ( 0.068 0.216 -0.120) 0.256 9.273 ( 0.141 0.152 0.301) 0.366 9.394 ( -0.208 0.261 -0.360) 0.491 9.404 ( 0.035 -0.175 0.118) 0.214 9.954 ( -0.101 0.494 0.081) 0.511 9.964 ( 0.221 0.061 -0.073) 0.240 10.074 ( -0.122 0.062 -0.005) 0.137 10.079 ( 0.008 -0.073 0.037) 0.083 10.369 ( 0.785 -1.712 -0.150) 1.889 10.381 ( 1.198 -1.969 0.302) 2.324 10.503 ( 0.194 -0.054 -0.279) 0.344 10.505 ( 0.165 -0.090 0.646) 0.673 10.549 ( -0.618 2.139 0.283) 2.244 10.565 ( 0.151 1.201 -0.454) 1.293 10.653 ( -1.087 -0.504 1.076) 1.610 10.660 ( -0.732 -0.790 -1.460) 1.814 ======================= Grid point 144 (65/70) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 3.800 1.774 -0.485) 4.221 0.701 ( -1.305 2.831 0.710) 3.197 0.762 ( 1.316 1.219 -4.010) 4.393 0.793 ( 4.596 0.934 0.592) 4.727 0.843 ( 3.858 0.185 -1.533) 4.155 0.883 ( 2.356 1.758 4.041) 4.997 0.955 ( -1.352 1.077 -0.253) 1.747 0.983 ( 1.236 -1.230 1.743) 2.465 1.006 ( -0.133 0.825 1.360) 1.597 1.041 ( -0.346 -1.148 -3.134) 3.356 1.128 ( -1.919 1.524 0.188) 2.458 1.149 ( -1.201 -2.105 -2.256) 3.311 1.161 ( -5.509 1.410 0.704) 5.730 1.250 ( -3.847 1.169 1.203) 4.197 1.441 ( 4.830 -6.874 -1.122) 8.476 1.571 ( 1.542 -8.179 1.205) 8.410 1.611 ( -1.665 1.253 1.893) 2.815 1.672 ( 2.010 2.389 -1.366) 3.408 1.721 ( -2.204 0.709 -3.219) 3.966 1.793 ( -4.283 -2.788 -0.956) 5.199 1.867 ( -2.476 -3.292 -0.833) 4.203 1.914 ( 0.287 -3.512 -0.358) 3.542 1.952 ( -2.066 0.960 1.497) 2.726 1.995 ( -3.385 -0.217 1.035) 3.546 2.333 ( 1.784 0.174 -3.204) 3.671 2.418 ( -1.736 -2.149 3.239) 4.257 2.589 ( 1.554 1.414 3.944) 4.469 2.639 ( -0.302 0.116 0.947) 1.001 2.745 ( 3.671 2.689 -2.480) 5.183 2.797 ( 1.146 0.919 2.154) 2.607 2.832 ( 0.980 2.215 1.253) 2.727 2.930 ( 0.855 -1.413 0.602) 1.758 2.952 ( -2.962 2.108 -4.311) 5.639 2.960 ( -0.467 0.509 -0.439) 0.819 3.049 ( -0.237 0.494 -1.609) 1.700 3.074 ( -1.485 -0.880 1.193) 2.099 3.168 ( -0.483 0.559 0.974) 1.223 3.232 ( -2.795 -1.923 0.048) 3.393 3.404 ( 1.542 2.188 -0.409) 2.708 3.430 ( 0.260 0.858 -0.173) 0.913 3.966 ( 3.336 0.613 -0.031) 3.392 3.988 ( 2.812 -0.366 0.246) 2.846 4.259 ( -1.091 1.002 0.114) 1.486 4.269 ( -1.180 0.592 -0.178) 1.332 4.887 ( 0.229 0.291 0.185) 0.414 4.889 ( 0.188 0.460 -0.158) 0.521 4.954 ( -0.103 -0.429 -0.320) 0.545 4.958 ( -0.351 0.317 0.438) 0.645 4.995 ( 0.322 -0.746 -0.725) 1.089 4.998 ( 0.037 -0.292 0.473) 0.557 5.103 ( 0.083 -0.257 -0.373) 0.460 5.107 ( -0.117 -0.345 0.487) 0.609 5.229 ( 0.263 -0.033 -0.738) 0.784 5.234 ( -0.058 -0.403 0.879) 0.969 5.569 ( 0.070 -0.134 0.226) 0.272 5.573 ( 0.011 -0.336 -0.406) 0.527 9.272 ( 0.169 0.151 -0.053) 0.233 9.276 ( 0.035 0.081 0.229) 0.245 9.392 ( 0.072 0.150 -0.242) 0.293 9.402 ( -0.260 -0.260 0.018) 0.368 9.955 ( 0.221 0.257 0.068) 0.346 9.965 ( -0.109 -0.151 -0.065) 0.197 10.073 ( 0.022 0.023 -0.011) 0.033 10.078 ( -0.124 -0.114 0.043) 0.174 10.389 ( 1.229 -0.668 0.036) 1.399 10.403 ( 0.901 -0.861 0.064) 1.247 10.508 ( 0.281 -0.035 -0.170) 0.330 10.510 ( 0.122 -0.069 0.726) 0.740 10.541 ( -0.069 1.357 0.320) 1.396 10.563 ( -0.312 0.402 -0.533) 0.737 10.634 ( -1.001 -0.423 1.032) 1.499 10.638 ( -1.062 -0.604 -1.516) 1.947 ======================= Grid point 145 (66/70) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.190 2.035 -4.137) 4.615 0.682 ( -0.190 2.035 4.137) 4.615 0.821 ( 3.361 2.082 -5.415) 6.704 0.821 ( -3.361 2.082 5.415) 6.704 0.893 ( -2.873 1.946 -0.365) 3.490 0.893 ( 2.873 1.946 0.365) 3.490 0.956 ( -0.592 -1.881 -2.474) 3.164 0.956 ( 0.592 -1.881 2.474) 3.164 1.034 ( -0.083 -1.096 -4.344) 4.481 1.034 ( 0.083 -1.096 4.344) 4.481 1.087 ( 0.809 3.622 -1.538) 4.017 1.087 ( -0.809 3.622 1.538) 4.017 1.187 ( 1.602 -2.038 -1.597) 3.045 1.187 ( -1.602 -2.038 1.597) 3.045 1.536 ( 3.272 -4.332 -2.899) 6.154 1.536 ( -3.272 -4.332 2.899) 6.154 1.633 ( -4.456 -3.103 -2.510) 5.982 1.633 ( 4.456 -3.103 2.510) 5.982 1.725 ( 1.303 -0.228 -6.577) 6.709 1.725 ( -1.303 -0.228 6.577) 6.709 1.881 ( 0.247 -1.823 -3.593) 4.037 1.881 ( -0.247 -1.823 3.593) 4.037 1.952 ( -0.752 -0.624 -0.718) 1.213 1.952 ( 0.752 -0.624 0.718) 1.213 2.374 ( 2.008 -0.422 -4.699) 5.127 2.374 ( -2.008 -0.422 4.699) 5.127 2.623 ( -1.080 0.075 -1.995) 2.270 2.623 ( 1.080 0.075 1.995) 2.270 2.794 ( 1.396 2.556 -1.691) 3.368 2.794 ( -1.396 2.556 1.691) 3.368 2.881 ( -3.279 2.770 -3.701) 5.667 2.881 ( 3.279 2.770 3.701) 5.667 2.949 ( 0.384 -0.368 -1.506) 1.597 2.949 ( -0.384 -0.368 1.506) 1.597 3.051 ( 0.552 -0.061 -1.538) 1.635 3.051 ( -0.552 -0.061 1.538) 1.635 3.184 ( -1.617 -1.549 0.110) 2.242 3.184 ( 1.617 -1.549 -0.110) 2.242 3.425 ( -0.238 1.621 -0.065) 1.639 3.425 ( 0.238 1.621 0.065) 1.639 4.010 ( -0.357 0.264 -0.237) 0.503 4.010 ( 0.357 0.264 0.237) 0.503 4.251 ( -0.065 0.637 -0.907) 1.110 4.251 ( 0.065 0.637 0.907) 1.110 4.890 ( -0.067 0.265 -0.159) 0.316 4.890 ( 0.067 0.265 0.159) 0.316 4.954 ( 0.154 0.158 -0.620) 0.658 4.954 ( -0.154 0.158 0.620) 0.658 4.998 ( 0.160 -0.632 -1.229) 1.391 4.998 ( -0.160 -0.632 1.229) 1.391 5.105 ( 0.161 -0.381 -0.593) 0.723 5.105 ( -0.161 -0.381 0.593) 0.723 5.232 ( 0.212 -0.179 -0.992) 1.031 5.232 ( -0.212 -0.179 0.992) 1.031 5.571 ( -0.017 -0.255 -0.561) 0.616 5.571 ( 0.017 -0.255 0.561) 0.616 9.275 ( 0.058 0.086 -0.222) 0.245 9.275 ( -0.058 0.086 0.222) 0.245 9.396 ( -0.008 -0.096 -0.214) 0.235 9.396 ( 0.008 -0.096 0.214) 0.235 9.961 ( -0.291 -0.058 -0.071) 0.305 9.961 ( 0.291 -0.058 0.071) 0.305 10.075 ( 0.043 -0.061 -0.495) 0.501 10.075 ( -0.043 -0.061 0.495) 0.501 10.408 ( -0.445 -0.068 -0.156) 0.476 10.408 ( 0.445 -0.068 0.156) 0.476 10.511 ( 0.092 -0.002 -0.466) 0.475 10.511 ( -0.092 -0.002 0.466) 0.475 10.550 ( -0.720 0.193 -0.730) 1.043 10.550 ( 0.720 0.193 0.730) 1.043 10.624 ( 0.091 -0.376 -1.329) 1.384 10.624 ( -0.091 -0.376 1.329) 1.384 ======================= Grid point 149 (67/70) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.000 -0.000 -0.000) 0.000 0.653 ( -0.000 -0.000 0.000) 0.000 0.665 ( 0.000 0.000 -0.000) 0.000 0.665 ( -0.000 0.000 0.000) 0.000 0.825 ( 0.000 0.000 0.000) 0.000 0.825 ( -0.000 0.000 0.000) 0.000 0.942 ( -0.000 0.000 0.000) 0.000 0.942 ( 0.000 0.000 0.000) 0.000 1.038 ( -0.000 0.000 0.000) 0.000 1.038 ( -0.000 0.000 0.000) 0.000 1.234 ( 0.000 0.000 0.000) 0.000 1.234 ( -0.000 0.000 0.000) 0.000 1.267 ( 0.000 0.000 -0.000) 0.000 1.267 ( -0.000 0.000 0.000) 0.000 1.518 ( -0.000 0.000 -0.000) 0.000 1.518 ( 0.000 0.000 -0.000) 0.000 1.524 ( -0.000 0.000 0.000) 0.000 1.524 ( 0.000 -0.000 0.000) 0.000 1.806 ( 0.000 0.000 -0.000) 0.000 1.806 ( -0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 2.101 ( -0.000 0.000 -0.000) 0.000 2.101 ( -0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.307 ( -0.000 0.000 0.000) 0.000 2.616 ( -0.000 0.000 0.000) 0.000 2.616 ( -0.000 0.000 0.000) 0.000 2.738 ( -0.000 0.000 -0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.825 ( -0.000 0.000 -0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 3.003 ( -0.000 0.000 -0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.088 ( -0.000 0.000 -0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.283 ( -0.000 0.000 0.000) 0.000 3.283 ( -0.000 0.000 0.000) 0.000 3.385 ( -0.000 0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.881 ( -0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 4.304 ( -0.000 0.000 0.000) 0.000 4.304 ( -0.000 0.000 0.000) 0.000 4.890 ( -0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 4.995 ( 0.000 0.000 -0.000) 0.000 4.995 ( -0.000 0.000 0.000) 0.000 5.104 ( -0.000 0.000 0.000) 0.000 5.104 ( -0.000 0.000 0.000) 0.000 5.224 ( -0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.568 ( -0.000 0.000 0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 9.273 ( -0.000 0.000 0.000) 0.000 9.273 ( 0.000 0.000 0.000) 0.000 9.401 ( -0.000 0.000 0.000) 0.000 9.401 ( 0.000 0.000 0.000) 0.000 9.963 ( -0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 10.077 ( -0.000 0.000 0.000) 0.000 10.077 ( 0.000 0.000 0.000) 0.000 10.339 ( -0.000 0.000 0.000) 0.000 10.339 ( 0.000 0.000 0.000) 0.000 10.501 ( -0.000 0.000 0.000) 0.000 10.501 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 10.578 ( -0.000 0.000 0.000) 0.000 10.661 ( -0.000 0.000 -0.000) 0.000 10.661 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 153 (68/70) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 1.574 -3.945 1.374) 4.464 0.650 ( 1.574 3.945 1.374) 4.464 0.732 ( 4.251 -0.886 -3.800) 5.770 0.732 ( 4.251 0.886 -3.800) 5.770 0.834 ( 1.085 -3.326 1.427) 3.778 0.834 ( 1.085 3.326 1.427) 3.778 0.951 ( 1.321 -1.188 0.582) 1.869 0.951 ( 1.321 1.188 0.582) 1.869 1.026 ( -1.146 -1.395 -0.295) 1.829 1.026 ( -1.146 1.395 -0.295) 1.829 1.185 ( -3.676 -1.770 0.643) 4.131 1.185 ( -3.676 1.770 0.643) 4.131 1.288 ( -0.009 -2.117 -1.520) 2.606 1.288 ( -0.009 2.117 -1.520) 2.606 1.425 ( -3.586 -4.721 0.101) 5.929 1.425 ( -3.587 4.721 0.101) 5.929 1.611 ( 3.835 -1.853 1.029) 4.382 1.611 ( 3.835 1.853 1.029) 4.382 1.819 ( 1.174 -2.736 -0.291) 2.992 1.819 ( 1.174 2.736 -0.291) 2.992 1.885 ( -5.354 -1.747 -1.685) 5.878 1.885 ( -5.354 1.747 -1.685) 5.878 2.052 ( -4.067 -1.533 0.521) 4.378 2.052 ( -4.067 1.533 0.521) 4.378 2.335 ( 2.051 -3.014 -0.325) 3.660 2.335 ( 2.051 3.014 -0.325) 3.660 2.621 ( 0.065 -1.912 2.766) 3.363 2.621 ( 0.065 1.912 2.766) 3.363 2.746 ( 1.395 -2.230 -0.484) 2.675 2.746 ( 1.395 2.230 -0.484) 2.675 2.850 ( 1.935 -2.299 1.215) 3.241 2.850 ( 1.935 2.299 1.215) 3.241 2.990 ( -0.930 -0.428 -2.820) 3.000 2.990 ( -0.930 0.428 -2.820) 3.000 3.079 ( -0.864 -0.656 0.164) 1.097 3.079 ( -0.864 0.656 0.164) 1.097 3.249 ( -2.947 -2.008 1.257) 3.781 3.249 ( -2.947 2.008 1.257) 3.781 3.406 ( 1.668 -1.065 -0.713) 2.104 3.406 ( 1.668 1.065 -0.713) 2.104 3.914 ( 3.070 -0.510 0.070) 3.113 3.914 ( 3.070 0.510 0.070) 3.113 4.295 ( -0.917 -0.201 -0.022) 0.939 4.295 ( -0.917 0.201 -0.022) 0.939 4.890 ( 0.053 -0.174 -0.016) 0.182 4.890 ( 0.053 0.174 -0.016) 0.182 4.952 ( 0.192 -0.401 0.036) 0.446 4.952 ( 0.192 0.401 0.036) 0.446 4.993 ( -0.109 -0.293 -0.073) 0.321 4.993 ( -0.109 0.293 -0.073) 0.321 5.103 ( -0.102 -0.125 0.054) 0.170 5.103 ( -0.102 0.125 0.054) 0.170 5.226 ( 0.152 -0.090 0.026) 0.179 5.226 ( 0.152 0.090 0.026) 0.179 5.568 ( 0.012 -0.087 -0.048) 0.100 5.568 ( 0.012 0.087 -0.048) 0.100 9.274 ( 0.066 -0.116 0.062) 0.147 9.274 ( 0.066 0.116 0.062) 0.147 9.399 ( -0.149 -0.253 -0.097) 0.309 9.399 ( -0.149 0.253 -0.097) 0.309 9.962 ( -0.081 -0.291 -0.006) 0.302 9.962 ( -0.081 0.291 -0.006) 0.302 10.076 ( -0.086 -0.135 0.003) 0.160 10.076 ( -0.086 0.135 0.003) 0.160 10.354 ( 1.477 -0.393 0.143) 1.535 10.354 ( 1.477 0.393 0.143) 1.535 10.503 ( 0.189 -0.066 0.113) 0.230 10.503 ( 0.189 0.066 0.113) 0.230 10.574 ( -0.445 -0.353 0.028) 0.569 10.574 ( -0.445 0.353 0.028) 0.569 10.651 ( -0.920 -0.204 -0.254) 0.976 10.651 ( -0.920 0.204 -0.254) 0.976 ======================= Grid point 155 (69/70) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 2.011 -2.540 0.076) 3.240 0.696 ( 2.011 2.540 0.076) 3.240 0.790 ( 3.623 -1.239 -3.987) 5.528 0.790 ( 3.623 1.239 -3.987) 5.528 0.874 ( 1.941 -2.459 3.632) 4.796 0.874 ( 1.941 2.459 3.632) 4.796 0.988 ( -0.564 -1.727 0.329) 1.847 0.988 ( -0.564 1.727 0.329) 1.846 1.003 ( 1.037 -2.187 -0.943) 2.598 1.003 ( 1.037 2.187 -0.943) 2.598 1.115 ( -3.261 -0.913 0.568) 3.433 1.115 ( -3.261 0.913 0.568) 3.433 1.241 ( -3.080 -4.051 -1.263) 5.244 1.241 ( -3.080 4.051 -1.263) 5.244 1.417 ( 1.936 -5.567 0.506) 5.915 1.417 ( 1.936 5.567 0.506) 5.915 1.656 ( -0.519 -3.000 2.084) 3.689 1.656 ( -0.519 3.000 2.084) 3.689 1.764 ( -4.612 -2.783 -3.276) 6.305 1.764 ( -4.612 2.783 -3.276) 6.305 1.844 ( 1.126 -2.434 -1.219) 2.946 1.844 ( 1.126 2.434 -1.219) 2.946 1.980 ( -3.338 -1.317 1.750) 3.992 1.980 ( -3.338 1.317 1.750) 3.992 2.363 ( 0.942 -2.696 -0.414) 2.886 2.363 ( 0.942 2.696 -0.414) 2.886 2.624 ( -0.181 -1.576 1.964) 2.525 2.624 ( -0.181 1.576 1.964) 2.525 2.791 ( 2.689 -1.545 0.758) 3.193 2.791 ( 2.689 1.545 0.758) 3.193 2.886 ( 1.559 -2.878 0.985) 3.419 2.886 ( 1.559 2.878 0.985) 3.419 2.966 ( -0.988 -0.191 -2.867) 3.039 2.966 ( -0.988 0.191 -2.867) 3.039 3.060 ( -0.981 -0.625 -0.186) 1.178 3.060 ( -0.981 0.625 -0.186) 1.178 3.195 ( -2.613 -1.839 1.025) 3.356 3.195 ( -2.613 1.839 1.025) 3.356 3.432 ( 1.026 -0.659 -0.464) 1.304 3.432 ( 1.026 0.659 -0.464) 1.304 3.978 ( 3.182 -0.590 0.085) 3.238 3.978 ( 3.182 0.590 0.085) 3.238 4.272 ( -1.258 -0.294 -0.039) 1.293 4.272 ( -1.258 0.294 -0.039) 1.293 4.891 ( 0.051 -0.183 -0.022) 0.191 4.891 ( 0.051 0.183 -0.022) 0.191 4.957 ( 0.240 -0.484 0.066) 0.544 4.957 ( 0.240 0.484 0.066) 0.544 4.991 ( -0.148 -0.372 -0.092) 0.411 4.991 ( -0.148 0.372 -0.092) 0.411 5.101 ( -0.108 -0.129 0.055) 0.177 5.101 ( -0.108 0.129 0.055) 0.177 5.229 ( 0.154 -0.086 0.019) 0.177 5.229 ( 0.154 0.086 0.019) 0.177 5.568 ( 0.019 -0.085 -0.044) 0.098 5.568 ( 0.019 0.085 -0.044) 0.098 9.275 ( 0.069 -0.119 0.060) 0.150 9.275 ( 0.069 0.119 0.060) 0.150 9.396 ( -0.149 -0.249 -0.090) 0.304 9.396 ( -0.149 0.249 -0.090) 0.304 9.961 ( -0.074 -0.274 -0.008) 0.284 9.961 ( -0.074 0.274 -0.008) 0.284 10.075 ( -0.071 -0.130 0.004) 0.148 10.075 ( -0.071 0.130 0.004) 0.148 10.387 ( 1.732 -0.480 0.162) 1.805 10.387 ( 1.732 0.480 0.162) 1.805 10.508 ( 0.209 -0.064 0.133) 0.256 10.508 ( 0.209 0.064 0.133) 0.256 10.562 ( -0.700 -0.552 0.026) 0.892 10.562 ( -0.700 0.552 0.026) 0.892 10.631 ( -0.962 -0.115 -0.297) 1.013 10.631 ( -0.962 0.115 -0.297) 1.013 ======================= Grid point 157 (70/70) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.000 0.000 0.000) 0.000 0.711 ( -0.000 0.000 0.000) 0.000 0.855 ( 0.000 0.000 -0.000) 0.000 0.855 ( 0.000 0.000 -0.000) 0.000 0.881 ( -0.000 -0.000 0.000) 0.000 0.881 ( -0.000 0.000 0.000) 0.000 0.963 ( -0.000 -0.000 -0.000) 0.000 0.963 ( -0.000 0.000 -0.000) 0.000 1.019 ( -0.000 0.000 0.000) 0.000 1.019 ( -0.000 0.000 0.000) 0.000 1.085 ( -0.000 0.000 0.000) 0.000 1.085 ( -0.000 0.000 0.000) 0.000 1.211 ( -0.000 -0.000 -0.000) 0.000 1.211 ( -0.000 0.000 0.000) 0.000 1.455 ( -0.000 0.000 -0.000) 0.000 1.455 ( -0.000 0.000 0.000) 0.000 1.610 ( -0.000 0.000 -0.000) 0.000 1.610 ( -0.000 0.000 0.000) 0.000 1.738 ( -0.000 0.000 -0.000) 0.000 1.738 ( -0.000 0.000 0.000) 0.000 1.855 ( -0.000 0.000 0.000) 0.000 1.855 ( -0.000 0.000 0.000) 0.000 1.946 ( -0.000 0.000 0.000) 0.000 1.946 ( -0.000 0.000 0.000) 0.000 2.372 ( -0.000 0.000 0.000) 0.000 2.372 ( -0.000 0.000 0.000) 0.000 2.623 ( -0.000 0.000 -0.000) 0.000 2.623 ( -0.000 0.000 0.000) 0.000 2.822 ( -0.000 0.000 0.000) 0.000 2.822 ( -0.000 0.000 0.000) 0.000 2.911 ( -0.000 -0.000 -0.000) 0.000 2.911 ( -0.000 0.000 0.000) 0.000 2.944 ( -0.000 0.000 -0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.050 ( -0.000 0.000 -0.000) 0.000 3.050 ( -0.000 0.000 -0.000) 0.000 3.168 ( -0.000 0.000 -0.000) 0.000 3.168 ( -0.000 0.000 0.000) 0.000 3.441 ( -0.000 0.000 -0.000) 0.000 3.441 ( -0.000 0.000 0.000) 0.000 4.013 ( -0.000 0.000 -0.000) 0.000 4.013 ( -0.000 0.000 0.000) 0.000 4.258 ( -0.000 0.000 0.000) 0.000 4.258 ( -0.000 0.000 0.000) 0.000 4.892 ( -0.000 0.000 0.000) 0.000 4.892 ( -0.000 0.000 0.000) 0.000 4.959 ( -0.000 0.000 -0.000) 0.000 4.959 ( -0.000 0.000 0.000) 0.000 4.989 ( -0.000 -0.000 0.000) 0.000 4.989 ( -0.000 0.000 -0.000) 0.000 5.100 ( -0.000 0.000 0.000) 0.000 5.100 ( -0.000 0.000 0.000) 0.000 5.231 ( -0.000 0.000 -0.000) 0.000 5.231 ( -0.000 0.000 0.000) 0.000 5.569 ( -0.000 0.000 -0.000) 0.000 5.569 ( -0.000 0.000 0.000) 0.000 9.276 ( -0.000 0.000 0.000) 0.000 9.276 ( -0.000 0.000 0.000) 0.000 9.395 ( -0.000 0.000 0.000) 0.000 9.395 ( -0.000 0.000 0.000) 0.000 9.960 ( -0.000 0.000 0.000) 0.000 9.960 ( -0.000 0.000 0.000) 0.000 10.074 ( -0.000 0.000 0.000) 0.000 10.074 ( -0.000 0.000 0.000) 0.000 10.407 ( -0.000 0.000 -0.000) 0.000 10.407 ( -0.000 0.000 0.000) 0.000 10.510 ( -0.000 0.000 0.000) 0.000 10.510 ( -0.000 0.000 0.000) 0.000 10.554 ( -0.000 0.000 0.000) 0.000 10.554 ( -0.000 0.000 0.000) 0.000 10.621 ( -0.000 0.000 0.000) 0.000 10.621 ( -0.000 0.000 0.000) 0.000 =================== 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 3/13824 10.0 4.015 2.903 5.710 0.000 0.814 0.000 3/13824 20.0 1.338 1.031 1.899 0.000 0.158 0.000 3/13824 30.0 0.763 0.615 1.078 0.000 0.074 0.000 3/13824 40.0 0.532 0.439 0.747 0.000 0.046 0.000 3/13824 50.0 0.410 0.343 0.573 0.000 0.034 0.000 3/13824 60.0 0.335 0.282 0.465 0.000 0.026 0.000 3/13824 70.0 0.284 0.239 0.393 0.000 0.022 0.000 3/13824 80.0 0.247 0.208 0.340 0.000 0.019 0.000 3/13824 90.0 0.218 0.185 0.301 0.000 0.016 0.000 3/13824 100.0 0.196 0.166 0.269 0.000 0.014 0.000 3/13824 110.0 0.178 0.151 0.244 0.000 0.013 0.000 3/13824 120.0 0.163 0.138 0.224 0.000 0.012 0.000 3/13824 130.0 0.151 0.128 0.206 0.000 0.011 0.000 3/13824 140.0 0.140 0.119 0.192 0.000 0.010 0.000 3/13824 150.0 0.131 0.111 0.179 0.000 0.009 0.000 3/13824 160.0 0.123 0.104 0.168 0.000 0.009 0.000 3/13824 170.0 0.115 0.098 0.158 0.000 0.008 0.000 3/13824 180.0 0.109 0.093 0.149 0.000 0.007 0.000 3/13824 190.0 0.103 0.088 0.142 0.000 0.007 0.000 3/13824 200.0 0.098 0.084 0.135 0.000 0.007 0.000 3/13824 210.0 0.094 0.080 0.128 0.000 0.006 0.000 3/13824 220.0 0.090 0.077 0.123 0.000 0.006 0.000 3/13824 230.0 0.086 0.073 0.117 0.000 0.006 0.000 3/13824 240.0 0.082 0.070 0.113 0.000 0.005 0.000 3/13824 250.0 0.079 0.068 0.108 0.000 0.005 0.000 3/13824 260.0 0.076 0.065 0.104 0.000 0.005 0.000 3/13824 270.0 0.073 0.063 0.100 0.000 0.005 0.000 3/13824 280.0 0.071 0.061 0.097 0.000 0.005 0.000 3/13824 290.0 0.068 0.059 0.094 0.000 0.004 0.000 3/13824 300.0 0.066 0.057 0.091 0.000 0.004 0.000 3/13824 310.0 0.064 0.055 0.088 0.000 0.004 0.000 3/13824 320.0 0.062 0.053 0.085 0.000 0.004 0.000 3/13824 330.0 0.060 0.052 0.083 0.000 0.004 0.000 3/13824 340.0 0.059 0.050 0.080 0.000 0.004 0.000 3/13824 350.0 0.057 0.049 0.078 0.000 0.004 0.000 3/13824 360.0 0.055 0.048 0.076 0.000 0.004 0.000 3/13824 370.0 0.054 0.046 0.074 0.000 0.003 0.000 3/13824 380.0 0.053 0.045 0.072 0.000 0.003 0.000 3/13824 390.0 0.051 0.044 0.070 0.000 0.003 0.000 3/13824 400.0 0.050 0.043 0.069 0.000 0.003 0.000 3/13824 410.0 0.049 0.042 0.067 0.000 0.003 0.000 3/13824 420.0 0.048 0.041 0.065 0.000 0.003 0.000 3/13824 430.0 0.047 0.040 0.064 0.000 0.003 0.000 3/13824 440.0 0.046 0.039 0.063 0.000 0.003 0.000 3/13824 450.0 0.045 0.038 0.061 0.000 0.003 0.000 3/13824 460.0 0.044 0.038 0.060 0.000 0.003 0.000 3/13824 470.0 0.043 0.037 0.059 0.000 0.003 0.000 3/13824 480.0 0.042 0.036 0.058 0.000 0.003 0.000 3/13824 490.0 0.041 0.035 0.056 0.000 0.003 0.000 3/13824 500.0 0.040 0.035 0.055 0.000 0.002 0.000 3/13824 510.0 0.039 0.034 0.054 0.000 0.002 0.000 3/13824 520.0 0.039 0.033 0.053 0.000 0.002 0.000 3/13824 530.0 0.038 0.033 0.052 0.000 0.002 0.000 3/13824 540.0 0.037 0.032 0.051 0.000 0.002 0.000 3/13824 550.0 0.037 0.032 0.050 0.000 0.002 0.000 3/13824 560.0 0.036 0.031 0.050 0.000 0.002 0.000 3/13824 570.0 0.035 0.031 0.049 0.000 0.002 0.000 3/13824 580.0 0.035 0.030 0.048 0.000 0.002 0.000 3/13824 590.0 0.034 0.030 0.047 0.000 0.002 0.000 3/13824 600.0 0.034 0.029 0.046 0.000 0.002 0.000 3/13824 610.0 0.033 0.029 0.046 0.000 0.002 0.000 3/13824 620.0 0.033 0.028 0.045 0.000 0.002 0.000 3/13824 630.0 0.032 0.028 0.044 0.000 0.002 0.000 3/13824 640.0 0.032 0.027 0.044 0.000 0.002 0.000 3/13824 650.0 0.031 0.027 0.043 0.000 0.002 0.000 3/13824 660.0 0.031 0.027 0.042 0.000 0.002 0.000 3/13824 670.0 0.030 0.026 0.042 0.000 0.002 0.000 3/13824 680.0 0.030 0.026 0.041 0.000 0.002 0.000 3/13824 690.0 0.029 0.026 0.040 0.000 0.002 0.000 3/13824 700.0 0.029 0.025 0.040 0.000 0.002 0.000 3/13824 710.0 0.029 0.025 0.039 0.000 0.002 0.000 3/13824 720.0 0.028 0.025 0.039 0.000 0.002 0.000 3/13824 730.0 0.028 0.024 0.038 0.000 0.002 0.000 3/13824 740.0 0.027 0.024 0.038 0.000 0.002 0.000 3/13824 750.0 0.027 0.024 0.037 0.000 0.002 0.000 3/13824 760.0 0.027 0.023 0.037 0.000 0.002 0.000 3/13824 770.0 0.026 0.023 0.036 0.000 0.002 0.000 3/13824 780.0 0.026 0.023 0.036 0.000 0.002 0.000 3/13824 790.0 0.026 0.022 0.036 0.000 0.002 0.000 3/13824 800.0 0.025 0.022 0.035 0.000 0.002 0.000 3/13824 810.0 0.025 0.022 0.035 0.000 0.001 0.000 3/13824 820.0 0.025 0.022 0.034 0.000 0.001 0.000 3/13824 830.0 0.024 0.021 0.034 0.000 0.001 0.000 3/13824 840.0 0.024 0.021 0.033 0.000 0.001 0.000 3/13824 850.0 0.024 0.021 0.033 0.000 0.001 0.000 3/13824 860.0 0.024 0.021 0.033 0.000 0.001 0.000 3/13824 870.0 0.023 0.020 0.032 0.000 0.001 0.000 3/13824 880.0 0.023 0.020 0.032 0.000 0.001 0.000 3/13824 890.0 0.023 0.020 0.032 0.000 0.001 0.000 3/13824 900.0 0.023 0.020 0.031 0.000 0.001 0.000 3/13824 910.0 0.022 0.020 0.031 0.000 0.001 0.000 3/13824 920.0 0.022 0.019 0.031 0.000 0.001 0.000 3/13824 930.0 0.022 0.019 0.030 0.000 0.001 0.000 3/13824 940.0 0.022 0.019 0.030 0.000 0.001 0.000 3/13824 950.0 0.021 0.019 0.030 0.000 0.001 0.000 3/13824 960.0 0.021 0.019 0.029 0.000 0.001 0.000 3/13824 970.0 0.021 0.018 0.029 0.000 0.001 0.000 3/13824 980.0 0.021 0.018 0.029 0.000 0.001 0.000 3/13824 990.0 0.021 0.018 0.029 0.000 0.001 0.000 3/13824 1000.0 0.020 0.018 0.028 0.000 0.001 0.000 3/13824 Thermal conductivity related properties were written into "kappa-m684.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:09:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|