vasp 5.4.4 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex tekla2IFC 2021-11-26T16:07:52.000 20.0 20.0 20.0 90.0 90.0 90.0 44.0757 0 1 450 0.1E-04 -.2E-01 2 0.1500 0.0 12.0000 -1.0000 0 0.03 F 0 PE 8 0 false F 0.0000 2 PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE S 06Sep2000 H C S 1.00 12.01 32.07 1.00 4.00 6.00 2 1 1 K-POINTS 0 Gamma 1 1 1 0 0 0 1 1 -19.5367 -15.0515 -11.2156 -9.7188 -7.8822 -5.5466 -3.7907 -0.5456 -0.0299 0.1242 0.1917 0.2800 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.038830 -0.112140 0.132925 0.051307 -0.042529 0.164430 0.462881 -0.774750 1.545428 -0.553018 0.929419 -1.842782 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 -19.12496053 -19.12496053 -19.12496053 -5.4049 0.1192566E-04 20.0 20.0 20.0 90.0 90.0 90.0 44.0757